A0A087YBA7_POEFO Loading...

Ubiquinol-cytochrome c reductase core protein 2b

AlphaFold DB , UniProt , Accession A0A087YBA7, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 448 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
1M37.5Very low36.5Very low236 Ų236156.5 Ų156.5100%1.16385%0.847SS**  0114.50-79.8176.1178.100107.7
2K33.3Very low36.7Very low210 Ų210154.2 Ų154.291%0.91384%0.842SS**  52.9104.3112.1-74-172.8175.4-178.80112.1
3G34.9Very low36.9Very low72 Ų72158.2 Ų158.274%0.74284%0.837SS**  101.2140.994.500000107.7
4I37.8Very low36.8Very low172 Ų172159.3 Ų159.388%0.88284%0.842SS**  cis-158.2147.137.7-81.6161.5000108
5R41.2Very low36.8Very low250 Ų250162.9 Ų162.994%0.94384%0.842SS**  trans-76.9148.7173.6-73.7175.1168.9176.9-4111.8
6G32.5Very low37.2Very low70 Ų70158.5 Ų158.572%0.72284%0.837SS**  trans-156.283.6169.600000113.8
7I41.8Very low37.5Very low170 Ų170154.9 Ų154.987%0.87284%0.835SS**  trans47.699.1141-44.8167.9000119.1
8S33.4Very low37.9Very low109 Ų109156.8 Ų156.876%0.76284%0.838SS**  -151.698.1124.670.30000109.5L10S8-L10 PolarHBondContact O-N 3.15Å; S8-L10 VanDerWaalsContact O-N 3.15Å
9Q35.1Very low38.2Very low185 Ų185153.3 Ų153.386%0.86483%0.833SS**  trans-77.793.7173.3-79.1-171.8-2100109.2
10L36.6Very low38.6Very low161 Ų161150.3 Ų150.384%0.84383%0.83SS**  trans-89.184.1153.3-85.8160.1000107.5S8 T12S8-L10 PolarHBondContact O-N 3.15Å; S8-L10 VanDerWaalsContact O-N 3.15Å; L10-T12 PolarHBondContact O-N 3.38Å
11S37.4Very low38.9Very low87 Ų87151.9 Ų151.961%0.60883%0.831SS**  trans-87.891.516651.90000108.7R13S11-R13 PolarHBondContact O-N 2.98Å
12T39Very low39Very low128 Ų128149.8 Ų149.879%0.78582%0.815SS**  trans-60.397.3163.6-40.80000107.6L10 L14L10-T12 PolarHBondContact O-N 3.38Å; T12-L14 PolarHBondContact O-N 3.02Å
13R39.5Very low39.6Very low206 Ų206145.4 Ų145.478%0.77781%0.806SS**  trans-71.1110.4172.6-77.2-173.8175.8-176.1-0.6108.2S11 Y15S11-R13 PolarHBondContact O-N 2.98Å; R13-Y15 PolarHBondContact O-N 3.18Å
14L35.2Very low39.9Very low174 Ų174149.9 Ų149.991%0.91181%0.807SS**  trans-53.999.6161.9-77.2146000108.9T12 A16T12-L14 PolarHBondContact O-N 3.02Å; L14-A16 PolarHBondContact O-N 3.35Å
15Y37.2Very low40.3Very low214 Ų214147.7 Ų147.784%0.83980%0.802SS**  trans-78.6101.2155.6-86.8-82000106.6R13 A17R13-Y15 PolarHBondContact O-N 3.18Å; Y15-A17 PolarHBondContact O-N 2.92Å
16A42.6Very low41Very low92 Ų92141.1 Ų141.176%0.7679%0.79SS**  trans-61.1108.4160.400000106.5L14 Q18L14-A16 PolarHBondContact O-N 3.35Å; A16-Q18 VanDerWaalsContact C-N 3.33Å; A16-Q18 PolarHBondContact O-N 3.05Å
17A42.4Very low42.2Very low98 Ų98140 Ų14081%0.8178%0.777SS**  trans-62.8100.7169.100000106.8Y15 A19Y15-A17 PolarHBondContact O-N 2.92Å; A17-A19 PolarHBondContact O-N 2.98Å
18Q44.1Very low43.7Very low188 Ų188138.9 Ų138.988%0.87977%0.767SS**  trans-60.9107.8166.7-166.2163.6-2.100105.3A16 A20A16-Q18 VanDerWaalsContact C-N 3.33Å; A16-Q18 PolarHBondContact O-N 3.05Å; Q18-A20 PolarHBondContact O-N 3.22Å
19A45Very low45.8Very low91 Ų91140.2 Ų140.275%0.75276%0.761SS**PPolyproline II helixtrans-51.1119.6178.200000107.4A17 H21A17-A19 PolarHBondContact O-N 2.98Å; A19-H21 PolarHBondContact O-N 3.04Å
20A46Very low47.9Very low93 Ų93137.2 Ų137.277%0.76976%0.757SS**PPolyproline II helixtrans-48.8130.117600000107.9Q18 K22Q18-A20 PolarHBondContact O-N 3.22Å; A20-K22 PolarHBondContact O-N 2.79Å
21H45.1Very low50.2Low183 Ų183132.6 Ų132.685%0.84773%0.731SS**PPolyproline II helixtrans-49.9117.6171.6-124.5-73.2000106.4A19 V23A19-H21 PolarHBondContact O-N 3.04Å; H21-V23 PolarHBondContact O-N 2.95Å
22K39.3Very low52.8Low193 Ų193135.2 Ų135.284%0.83974%0.738SS**  trans-64.996.6174.3-159.6179.8-173.2-1750104.5A20 E24A20-K22 PolarHBondContact O-N 2.79Å; K22-E24 PolarHBondContact O-N 2.93Å
23V45.5Very low55.4Low117 Ų117130.6 Ų130.671%0.70971%0.71SS**  trans-58.4108.2172.8177.50000104.2H21 V25H21-V23 PolarHBondContact O-N 2.95Å; V23-V25 VanDerWaalsContact C-N 3.31Å; V23-V25 PolarHBondContact O-N 2.92Å
24E41.9Very low58.1Low167 Ų167124.7 Ų124.778%0.7869%0.691SS**  trans-58.4107.1164.4-78.6-175.5154.800105.1K22 T26K22-E24 PolarHBondContact O-N 2.93Å; E24-T26 PolarHBondContact O-N 2.78Å
25V46.2Very low60.9Low126 Ų126118.8 Ų118.876%0.76466%0.663SS**  trans-72.275.1171.8-172.20000105.5V23 G27V23-V25 VanDerWaalsContact C-N 3.31Å; V23-V25 PolarHBondContact O-N 2.92Å; V25-G27 VanDerWaalsContact C-N 3.34Å; V25-G27 PolarHBondContact O-N 3.03Å
26T55.7Low63.7Low112 Ų112110.3 Ų110.369%0.68764%0.635SS**  trans-60.5106.6157.548.30000104.7E24 F28E24-T26 PolarHBondContact O-N 2.78Å; T26-F28 PolarHBondContact O-N 3.3Å
27G58Low66.1Low45 Ų45113.3 Ų113.346%0.46463%0.631SS.*  trans-50.6129.1-178.400000109.8V25 Q29V25-G27 VanDerWaalsContact C-N 3.34Å; V25-G27 PolarHBondContact O-N 3.03Å; G27-Q29 PolarHBondContact O-N 3.3Å; G27-Q29 PolarHBondContact O-NE2 3.17Å
28F72.9Confident68.4Low148 Ų148109.1 Ų109.165%0.64959%0.594SS**  trans-54.5113.7176.5-65.7-62.8000109.1T26 Y50T26-F28 PolarHBondContact O-N 3.3Å; F28-Y50 HydrophobicContact CB-CD2 3.6Å; F28-Y50 HydrophobicContact CB-CE2 3.89Å; F28-Y50 HydrophobicContact CB-CG 4.04Å; F28-Y50 AromaticContact CD1-CD1 3.29Å; F28-Y50 HydrophobicContact CD1-CD1 3.29Å; F28-Y50 AromaticContact CD1-CD2 3.69Å; F28-Y50 HydrophobicContact CD1-CD2 3.69Å; F28-Y50 AromaticContact CD1-CE1 3.72Å; F28-Y50 HydrophobicContact CD1-CE1 3.72Å; F28-Y50 HydrophobicContact CD1-CE2 4.09Å; F28-Y50 AromaticContact CD1-CG 3.25Å; F28-Y50 HydrophobicContact CD1-CG 3.25Å; F28-Y50 AromaticContact CE1-CD1 3.59Å; F28-Y50 HydrophobicContact CE1-CD1 3.59Å; F28-Y50 HydrophobicContact CE1-CE1 4.24Å; F28-Y50 AromaticContact CE1-CG 3.81Å; F28-Y50 HydrophobicContact CE1-CG 3.81Å; F28-Y50 HydrophobicContact CG-CD1 4.26Å; F28-Y50 AromaticContact CG-CD2 3.88Å; F28-Y50 HydrophobicContact CG-CD2 3.88Å; F28-Y50 HydrophobicContact CG-CE2 4.41Å; F28-Y50 AromaticContact CG-CG 3.77Å; F28-Y50 HydrophobicContact CG-CG 3.77Å
29Q77.2Confident70.5Confident137 Ų137106.8 Ų106.864%0.6460%0.596SS**PPolyproline II helixtrans-77.3127.3178.2-66.3-61.7-4900108.6G27 Q31 Y50G27-Q29 PolarHBondContact O-N 3.3Å; G27-Q29 PolarHBondContact O-NE2 3.17Å; Q29-Q31 PolarHBondContact O-N 3.42Å; Q29-Y50 WeakPolarHBondContact O-CE2 3.48Å
30P78.8Confident72.3Confident122 Ų122103.4 Ų103.479%0.79257%0.566SS**PPolyproline II helixtrans-53.5127.5171.9-21.631.8000109.6
31Q86.1Confident74.3Confident63 Ų6399.7 Ų99.729%0.29454%0.537SS..PPolyproline II helixtrans-101.9143.2172.2-60-163.321.100109.5Q29 L47 E48 Y50Q29-Q31 PolarHBondContact O-N 3.42Å; Q31-L47 WeakPolarHBondContact O-CD1 3.5Å; Q31-E48 HydrophobicContact CB-CB 4.42Å; Q31-E48 HydrophobicContact CG-CB 4.31Å; Q31-Y50 PolarHBondContact NE2-OH 3.01Å; Q31-Y50 VanDerWaalsContact NE2-OH 3.17Å
32D90.9Very high76.5Confident142 Ų14291 Ų9176%0.75950%0.497SS*.PPolyproline II helixtrans-79.6160.6171-66.3-45.3000110.9Q34D32-Q34 PolarHBondContact O-N 2.92Å
33V93.9Very high79.2Confident31 Ų3182.3 Ų82.319%0.18846%0.46CS..PPolyproline II helixtrans-64.1125.1173.6177.40000109.4V35 T45 S46 L47 M391 Y401V33-V35 HydrophobicContact CG1-CG2 4.31Å; V33-T45 HydrophobicContact CG1-CG2 3.48Å; V33-T45 VanDerWaalsContact CG1-CG2 3.48Å; V33-S46 WeakPolarHBondContact CA-O 3.42Å; V33-L47 HydrophobicContact CG2-CB 4.24Å; V33-L47 HydrophobicContact CG2-CD1 4.06Å; V33-L47 HydrophobicContact CG2-CD2 4.31Å; V33-L47 HydrophobicContact CG2-CG 4.45Å; V33-M391 HydrophobicContact CG1-CE 4.15Å; V33-M391 HydrophobicContact CG2-CE 4.48Å; V33-M391 HydrophobicContact CG2-CG 4.47Å; V33-M391 HydrophobicContact CG2-SD 4.39Å; V33-Y401 HydrophobicContact CB-CD1 3.59Å; V33-Y401 HydrophobicContact CB-CE1 3.74Å; V33-Y401 HydrophobicContact CB-CG 4.11Å; V33-Y401 HydrophobicContact CG1-CD1 3.77Å; V33-Y401 HydrophobicContact CG1-CD2 4.19Å; V33-Y401 HydrophobicContact CG1-CE1 4.23Å; V33-Y401 HydrophobicContact CG1-CG 3.73Å; V33-Y401 HydrophobicContact CG2-CD1 3.9Å; V33-Y401 HydrophobicContact CG2-CE1 3.5Å; V33-Y401 VanDerWaalsContact CG2-CE1 3.5Å; V33-Y401 HydrophobicContact CG2-CE2 4.37Å; V33-Y401 HydrophobicContact CG2-CG 4.48Å
34Q95.2Very high81.5Confident82 Ų8276.8 Ų76.838%0.38343%0.426SS..EExtended strand (participates in β ladder)trans-101.5132.7177.1-62.8-178.729.900109.9D32 T45 S46 H222D32-Q34 PolarHBondContact O-N 2.92Å; Q34-T45 CarbonylContact O-C 3.41Å; Q34-T45 VanDerWaalsContact O-CA 3.29Å; Q34-T45 WeakPolarHBondContact O-CA 3.3Å; Q34-S46 PolarHBondContact N-O 2.97Å; Q34-S46 PolarHBondContact O-N 2.96Å; Q34-H222 HydrophobicContact CB-CB 4.3Å
35V95.8Very high84.1Confident51 Ų5168.8 Ų68.831%0.30939%0.389SS..EExtended strand (participates in β ladder)trans-123.7126.8177.8-172.60000109.6V33 V43 I44 T45 G399V33-V35 HydrophobicContact CG1-CG2 4.31Å; V35-V43 HydrophobicContact CG1-CG1 3.9Å; V35-I44 CarbonylContact C-O 3.43Å; V35-I44 WeakPolarHBondContact CA-O 3.5Å; V35-T45 HydrophobicContact CG2-CG2 4.07Å; V35-G399 WeakPolarHBondContact CG1-O 3.4Å
36S94.9Very high86.5Confident36 Ų3662.9 Ų62.925%0.25235%0.353SS..EExtended strand (participates in β ladder)trans-128.8142.3175-75.30000110.3I44 H222S36-I44 PolarHBondContact N-O 3.17Å; S36-I44 PolarHBondContact O-N 3.01Å; S36-H222 VanDerWaalsContact CB-NE2 3.33Å; S36-H222 WeakPolarHBondContact CB-NE2 3.27Å; S36-H222 PolarHBondContact OG-NE2 3.34Å
37K92.9Very high88.4Confident155 Ų15558.7 Ų58.767%0.67433%0.326SS*.EExtended strand (participates in β ladder)trans-111.2121172.3-171.9173.7-177.1173.70109.7
38L90.8Very high90Very high10 Ų1057 Ų575%0.05231%0.306CS..  trans-75.8157.4176.6-64-169.4000111.4S40 G41 L42 I44 K226 E230L38-S40 PolarHBondContact O-N 3.29Å; L38-S40 VanDerWaalsContact O-N 3.1Å; L38-G41 PolarHBondContact O-N 3.22Å; L38-L42 HydrophobicContact CB-CB 4.39Å; L38-L42 HydrophobicContact CD1-CB 4.35Å; L38-L42 HydrophobicContact CD1-CD2 3.99Å; L38-L42 PolarHBondContact N-O 3.41Å; L38-I44 HydrophobicContact CD1-CD1 3.78Å; L38-I44 HydrophobicContact CD2-CD1 4.09Å; L38-I44 HydrophobicContact CG-CD1 3.81Å; L38-I44 HydrophobicContact CG-CG1 4.39Å; L38-K226 HydrophobicContact CD2-CG 4.14Å; L38-E230 HydrophobicContact CD1-CB 4.42Å; L38-E230 HydrophobicContact CD1-CG 3.67Å; L38-E230 HydrophobicContact CD2-CG 3.75Å; L38-E230 HydrophobicContact CG-CG 4.37Å
39P87.8Confident90.8Very high139 Ų13953 Ų5390%0.90329%0.292SS*.THydrogen-bonded Turntrans-56.6-25.5173.2-25.735.1000113.8G41P39-G41 PolarHBondContact O-N 3.36Å
40S84.5Confident91.4Very high19 Ų1950.4 Ų50.413%0.13328%0.277CS..THydrogen-bonded Turntrans-68.7-11.8174.966.50000114.2L38 L42 S210 N234L38-S40 PolarHBondContact O-N 3.29Å; L38-S40 VanDerWaalsContact O-N 3.1Å; S40-L42 VanDerWaalsContact C-N 3.34Å; S40-L42 WeakPolarHBondContact OG-CB 3.15Å; S40-L42 PolarHBondContact OG-N 3.18Å; S40-S210 WeakPolarHBondContact O-CB 3.29Å; S40-S210 PolarHBondContact O-OG 2.95Å; S40-N234 WeakPolarHBondContact CB-OD1 3.44Å
41G88Confident91.9Very high15 Ų1546 Ų4616%0.15525%0.249CC..SBendtrans89.5-7.6-172.400000114.4L38 P39 V43 S210L38-G41 PolarHBondContact O-N 3.22Å; P39-G41 PolarHBondContact O-N 3.36Å; G41-V43 PolarHBondContact O-N 3.04Å; G41-S210 CarbonylContact C-O 3.49Å
42L91.3Very high92.2Very high0 Ų047.8 Ų47.80%027%0.266CS..  trans-63.9130.4174.4-179.472.1000110.2L38 S40 I44 S210 M213 L233L38-L42 HydrophobicContact CB-CB 4.39Å; L38-L42 HydrophobicContact CD1-CB 4.35Å; L38-L42 HydrophobicContact CD1-CD2 3.99Å; L38-L42 PolarHBondContact N-O 3.41Å; S40-L42 VanDerWaalsContact C-N 3.34Å; S40-L42 WeakPolarHBondContact OG-CB 3.15Å; S40-L42 PolarHBondContact OG-N 3.18Å; L42-I44 HydrophobicContact CD2-CD1 4.33Å; L42-I44 HydrophobicContact CD2-CG1 4.23Å; L42-I44 HydrophobicContact CG-CG1 4.29Å; L42-S210 VanDerWaalsContact CA-O 3.24Å; L42-S210 WeakPolarHBondContact CA-O 3.49Å; L42-S210 PolarHBondContact N-O 3.28Å; L42-M213 HydrophobicContact CD1-CB 3.51Å; L42-M213 WeakPolarHBondContact CD1-O 3.17Å; L42-L233 HydrophobicContact CD1-CD1 4.46Å; L42-L233 HydrophobicContact CD2-CB 3.71Å; L42-L233 HydrophobicContact CD2-CD1 4.04Å
43V94.3Very high92.3Very high12 Ų1243.4 Ų43.47%0.07325%0.25CC..EExtended strand (participates in β ladder)trans-94.5136172.5-175.40000108.7V35 G41 M213 A214 L215 A395V35-V43 HydrophobicContact CG1-CG1 3.9Å; G41-V43 PolarHBondContact O-N 3.04Å; V43-M213 PolarHBondContact N-O 2.79Å; V43-A214 HydrophobicContact CB-CB 4.21Å; V43-A214 CarbonylContact O-C 3.35Å; V43-A214 WeakPolarHBondContact O-CA 3.25Å; V43-L215 PolarHBondContact O-N 2.94Å; V43-A395 HydrophobicContact CG1-CB 3.92Å
44I95.3Very high92.3Very high0 Ų042.1 Ų42.10%024%0.242CC..EExtended strand (participates in β ladder)trans-121.8123.1178.7-57.3-175.8000107.5V35 S36 L38 L42 L215 L225 K226V35-I44 CarbonylContact C-O 3.43Å; V35-I44 WeakPolarHBondContact CA-O 3.5Å; S36-I44 PolarHBondContact N-O 3.17Å; S36-I44 PolarHBondContact O-N 3.01Å; L38-I44 HydrophobicContact CD1-CD1 3.78Å; L38-I44 HydrophobicContact CD2-CD1 4.09Å; L38-I44 HydrophobicContact CG-CD1 3.81Å; L38-I44 HydrophobicContact CG-CG1 4.39Å; L42-I44 HydrophobicContact CD2-CD1 4.33Å; L42-I44 HydrophobicContact CD2-CG1 4.23Å; L42-I44 HydrophobicContact CG-CG1 4.29Å; I44-L215 CarbonylContact C-O 3.55Å; I44-L215 WeakPolarHBondContact CA-O 3.37Å; I44-L215 HydrophobicContact CG1-CB 4.46Å; I44-L225 HydrophobicContact CG2-CB 3.86Å; I44-K226 HydrophobicContact CD1-CB 4.42Å; I44-K226 HydrophobicContact CD1-CG 4.49Å
45T96.3Very high92.4Very high0 Ų039 Ų390%023%0.227CC..EExtended strand (participates in β ladder)trans-125.7131.4179.5-590000109.2V33 Q34 V35 L215 V216 G217 M391 A395V33-T45 HydrophobicContact CG1-CG2 3.48Å; V33-T45 VanDerWaalsContact CG1-CG2 3.48Å; Q34-T45 CarbonylContact O-C 3.41Å; Q34-T45 VanDerWaalsContact O-CA 3.29Å; Q34-T45 WeakPolarHBondContact O-CA 3.3Å; V35-T45 HydrophobicContact CG2-CG2 4.07Å; T45-L215 PolarHBondContact N-O 3.48Å; T45-V216 CarbonylContact O-C 3.44Å; T45-V216 WeakPolarHBondContact O-CA 3.15Å; T45-G217 PolarHBondContact O-N 3.04Å; T45-M391 HydrophobicContact CG2-CB 4.02Å; T45-M391 HydrophobicContact CG2-CE 3.75Å; T45-M391 HydrophobicContact CG2-CG 4.38Å; T45-A395 VanDerWaalsContact OG1-CB 3.25Å; T45-A395 WeakPolarHBondContact OG1-CB 3.29Å
46S95.6Very high92.4Very high2 Ų236.6 Ų36.61%0.01421%0.213CC..EExtended strand (participates in β ladder)trans-141.9151.3179.771.50000112.9V33 Q34 G217 H222V33-S46 WeakPolarHBondContact CA-O 3.42Å; Q34-S46 PolarHBondContact N-O 2.97Å; Q34-S46 PolarHBondContact O-N 2.96Å; S46-G217 CarbonylContact C-O 3.58Å; S46-G217 VanDerWaalsContact CA-O 3.23Å; S46-G217 WeakPolarHBondContact CA-O 3.47Å; S46-H222 VanDerWaalsContact OG-CA 3.3Å; S46-H222 WeakPolarHBondContact OG-CA 3.3Å; S46-H222 WeakPolarHBondContact OG-CB 3.32Å; S46-H222 VanDerWaalsContact OG-CG 3.32Å; S46-H222 PolarHBondContact OG-ND1 3.3Å
47L95.1Very high92.4Very high23 Ų2334.9 Ų34.912%0.1220%0.201CC..EExtended strand (participates in β ladder)trans-134.8115.2170.4179.461.4000109.2Q31 V33 G217 L218 G219 L387 M391Q31-L47 WeakPolarHBondContact O-CD1 3.5Å; V33-L47 HydrophobicContact CG2-CB 4.24Å; V33-L47 HydrophobicContact CG2-CD1 4.06Å; V33-L47 HydrophobicContact CG2-CD2 4.31Å; V33-L47 HydrophobicContact CG2-CG 4.45Å; L47-G217 PolarHBondContact N-O 3.28Å; L47-L218 HydrophobicContact CB-CD1 3.96Å; L47-L218 HydrophobicContact CD2-CD1 3.73Å; L47-L218 HydrophobicContact CG-CD1 4.06Å; L47-G219 PolarHBondContact O-N 3.18Å; L47-L387 HydrophobicContact CD2-CD2 3.74Å; L47-M391 HydrophobicContact CB-CE 3.68Å; L47-M391 HydrophobicContact CB-SD 4.06Å; L47-M391 HydrophobicContact CD2-SD 4.46Å
48E91.9Very high92.6Very high9 Ų927.5 Ų27.54%0.04217%0.169CC..  trans-87113.5171.4178.154.1-99.900109.3Q31 Y50 R122 E221Q31-E48 HydrophobicContact CB-CB 4.42Å; Q31-E48 HydrophobicContact CG-CB 4.31Å; E48-Y50 HydrophobicContact CG-CD1 4.45Å; E48-Y50 HydrophobicContact CG-CE1 4.2Å; E48-Y50 HydrophobicContact CG-CE2 4.36Å; E48-Y50 WeakPolarHBondContact OE1-CA 3.43Å; E48-Y50 PolarHBondContact OE1-N 3.16Å; E48-R122 IonicContact OE1-CZ 3.47Å; E48-R122 IonicContact OE1-NH1 2.72Å; E48-R122 PolarHBondContact OE1-NH1 2.84Å; E48-R122 IonicContact OE1-NH2 3.33Å; E48-R122 PolarHBondContact OE1-NH2 2.82Å; E48-R122 IonicContact OE2-CZ 3.46Å; E48-R122 IonicContact OE2-NH1 3.42Å; E48-R122 PolarHBondContact OE2-NH1 2.83Å; E48-R122 IonicContact OE2-NH2 2.69Å; E48-R122 PolarHBondContact OE2-NH2 3.36Å; E48-E221 PolarHBondContact OE2-N 2.84Å
49N90.6Very high92.8Very high66 Ų6627.1 Ų27.135%0.35317%0.166SC..  trans-119.98.7-177.668.7-7.9000113.3S51 G219N49-S51 PolarHBondContact O-N 3.19Å; N49-S51 WeakPolarHBondContact OD1-CB 3.19Å; N49-S51 PolarHBondContact OD1-N 3.41Å; N49-S51 VanDerWaalsContact OD1-N 3.17Å; N49-G219 WeakPolarHBondContact OD1-CA 3.37Å
50Y88.9Confident93.1Very high81 Ų8120.5 Ų20.532%0.31812%0.123SC..  trans53.321.8-177.6-51-84.7000114.5F28 Q29 Q31 E48F28-Y50 HydrophobicContact CB-CD2 3.6Å; F28-Y50 HydrophobicContact CB-CE2 3.89Å; F28-Y50 HydrophobicContact CB-CG 4.04Å; F28-Y50 AromaticContact CD1-CD1 3.29Å; F28-Y50 HydrophobicContact CD1-CD1 3.29Å; F28-Y50 AromaticContact CD1-CD2 3.69Å; F28-Y50 HydrophobicContact CD1-CD2 3.69Å; F28-Y50 AromaticContact CD1-CE1 3.72Å; F28-Y50 HydrophobicContact CD1-CE1 3.72Å; F28-Y50 HydrophobicContact CD1-CE2 4.09Å; F28-Y50 AromaticContact CD1-CG 3.25Å; F28-Y50 HydrophobicContact CD1-CG 3.25Å; F28-Y50 AromaticContact CE1-CD1 3.59Å; F28-Y50 HydrophobicContact CE1-CD1 3.59Å; F28-Y50 HydrophobicContact CE1-CE1 4.24Å; F28-Y50 AromaticContact CE1-CG 3.81Å; F28-Y50 HydrophobicContact CE1-CG 3.81Å; F28-Y50 HydrophobicContact CG-CD1 4.26Å; F28-Y50 AromaticContact CG-CD2 3.88Å; F28-Y50 HydrophobicContact CG-CD2 3.88Å; F28-Y50 HydrophobicContact CG-CE2 4.41Å; F28-Y50 AromaticContact CG-CG 3.77Å; F28-Y50 HydrophobicContact CG-CG 3.77Å; Q29-Y50 WeakPolarHBondContact O-CE2 3.48Å; Q31-Y50 PolarHBondContact NE2-OH 3.01Å; Q31-Y50 VanDerWaalsContact NE2-OH 3.17Å; E48-Y50 HydrophobicContact CG-CD1 4.45Å; E48-Y50 HydrophobicContact CG-CE1 4.2Å; E48-Y50 HydrophobicContact CG-CE2 4.36Å; E48-Y50 WeakPolarHBondContact OE1-CA 3.43Å; E48-Y50 PolarHBondContact OE1-N 3.16Å
51S90.6Very high93.6Very high29 Ų2923.4 Ų23.420%0.20313%0.132CC..  trans-65.8141.41741720000110.2N49 A53N49-S51 PolarHBondContact O-N 3.19Å; N49-S51 WeakPolarHBondContact OD1-CB 3.19Å; N49-S51 PolarHBondContact OD1-N 3.41Å; N49-S51 VanDerWaalsContact OD1-N 3.17Å; S51-A53 VanDerWaalsContact CB-O 3.25Å; S51-A53 WeakPolarHBondContact CB-O 3.37Å; S51-A53 PolarHBondContact O-N 3.39Å; S51-A53 PolarHBondContact OG-N 3.04Å; S51-A53 VanDerWaalsContact OG-N 3.17Å; S51-A53 PolarHBondContact OG-O 3.23Å
52P91.6Very high93.8Very high102 Ų10222.7 Ų22.766%0.66212%0.124SC*.SBendtrans-70.1-15.8172.829.8-35.3000112.8R122P52-R122 WeakPolarHBondContact O-CB 3.4Å; P52-R122 PolarHBondContact O-N 2.88Å
53A93.1Very high94Very high50 Ų5022.7 Ų22.741%0.41312%0.124SC..EExtended strand (participates in β ladder)trans-109.7140.117200000110.3S51 C120S51-A53 VanDerWaalsContact CB-O 3.25Å; S51-A53 WeakPolarHBondContact CB-O 3.37Å; S51-A53 PolarHBondContact O-N 3.39Å; S51-A53 PolarHBondContact OG-N 3.04Å; S51-A53 VanDerWaalsContact OG-N 3.17Å; S51-A53 PolarHBondContact OG-O 3.23Å; A53-C120 WeakPolarHBondContact CA-O 3.5Å
54S94.9Very high94.1Very high4 Ų422.1 Ų22.13%0.02812%0.121CC..EExtended strand (participates in β ladder)trans-123.6145-178.9-57.80000110.2C120 L218 G219S54-C120 PolarHBondContact N-O 2.84Å; S54-C120 PolarHBondContact O-N 2.81Å; S54-L218 VanDerWaalsContact CA-O 3.31Å; S54-L218 WeakPolarHBondContact CA-O 3.37Å; S54-G219 PolarHBondContact OG-O 3.17Å
55K95.8Very high94Very high17 Ų1722.8 Ų22.87%0.07412%0.123CC..EExtended strand (participates in β ladder)trans-127.6123.2180176.9179.4-74.3-82.20108.4V117 V118 D119 G217 L218 L388K55-V117 HydrophobicContact CD-CG1 3.94Å; K55-V117 HydrophobicContact CG-CG1 3.58Å; K55-V118 WeakPolarHBondContact CA-O 3.13Å; K55-D119 WeakPolarHBondContact CB-OD1 2.9Å; K55-D119 WeakPolarHBondContact CD-OD1 3.48Å; K55-D119 WeakPolarHBondContact CE-OD1 3.33Å; K55-D119 WeakPolarHBondContact CG-OD1 3.37Å; K55-D119 IonicContact NZ-OD1 2.95Å; K55-D119 PolarHBondContact NZ-OD1 3.06Å; K55-D119 IonicContact NZ-OD2 3.29Å; K55-D119 PolarHBondContact NZ-OD2 2.8Å; K55-G217 WeakPolarHBondContact O-CA 3.5Å; K55-L218 HydrophobicContact CB-CB 4.44Å; K55-L218 PolarHBondContact N-O 3.02Å; K55-L218 PolarHBondContact O-N 3.47Å; K55-L388 HydrophobicContact CD-CB 3.9Å; K55-L388 HydrophobicContact CD-CD1 4.42Å; K55-L388 HydrophobicContact CD-CD2 3.76Å; K55-L388 HydrophobicContact CD-CG 4.21Å; K55-L388 HydrophobicContact CG-CD1 4.11Å; K55-L388 HydrophobicContact CG-CD2 3.83Å; K55-L388 HydrophobicContact CG-CG 4.34Å
56I95.8Very high93.9Very high0 Ų024.2 Ų24.20%013%0.129CC..EExtended strand (participates in β ladder)trans-123.2128.7-176.5-52.5171.9000108.2V117 V118 I125 M129 L132 L215 V216 V220 L225I56-V117 CarbonylContact O-C 3.33Å; I56-V117 WeakPolarHBondContact O-CA 3.08Å; I56-V118 HydrophobicContact CB-CG1 4.11Å; I56-V118 PolarHBondContact N-O 2.88Å; I56-V118 PolarHBondContact O-N 2.83Å; I56-I125 HydrophobicContact CD1-CB 4.38Å; I56-I125 HydrophobicContact CD1-CG1 4.28Å; I56-I125 HydrophobicContact CD1-CG2 3.6Å; I56-M129 HydrophobicContact CD1-SD 4.4Å; I56-L132 HydrophobicContact CB-CD2 4.18Å; I56-L132 HydrophobicContact CG2-CD2 3.72Å; I56-L215 HydrophobicContact CG2-CD1 4.02Å; I56-V216 CarbonylContact C-O 3.57Å; I56-V216 WeakPolarHBondContact CA-O 3.49Å; I56-V220 HydrophobicContact CD1-CG2 4.08Å; I56-V220 HydrophobicContact CG1-CG2 3.92Å; I56-L225 HydrophobicContact CG2-CD2 4.25Å
57G95.9Very high93.9Very high0 Ų024.8 Ų24.80%013%0.131CC..EExtended strand (participates in β ladder)trans-128.5136.6-176.600000112.4Y116 V216G57-Y116 CarbonylContact C-O 3.34Å; G57-Y116 VanDerWaalsContact CA-O 3.24Å; G57-Y116 WeakPolarHBondContact CA-O 3.44Å; G57-V216 PolarHBondContact N-O 3.48Å; G57-V216 PolarHBondContact O-N 3.37Å
58V95.7Very high93.8Very high0 Ų026.6 Ų26.60%014%0.144CC..EExtended strand (participates in β ladder)trans-103.8109.4164.2177.50000107.7I60 Y116 L132 T136 M213 L215 L233V58-I60 HydrophobicContact CG1-CD1 4.08Å; V58-I60 HydrophobicContact CG1-CG1 3.84Å; V58-Y116 PolarHBondContact N-O 2.91Å; V58-Y116 PolarHBondContact O-N 3.33Å; V58-L132 HydrophobicContact CG2-CD1 4.32Å; V58-L132 HydrophobicContact CG2-CD2 3.92Å; V58-L132 HydrophobicContact CG2-CG 3.91Å; V58-T136 HydrophobicContact CB-CG2 4.1Å; V58-T136 HydrophobicContact CG1-CG2 4.09Å; V58-T136 HydrophobicContact CG2-CG2 4.49Å; V58-M213 HydrophobicContact CG1-CE 3.28Å; V58-L215 HydrophobicContact CG2-CD1 3.88Å; V58-L233 HydrophobicContact CG2-CD1 4.43Å
59F96.1Very high93.8Very high1 Ų130.9 Ų30.90%0.00417%0.172CC..EExtended strand (participates in β ladder)trans-94.4127.2177.1-70.4-109.7000108.3M115 M213 A214 V216 L388 L396F59-M115 HydrophobicContact CD1-CB 4.29Å; F59-M115 HydrophobicContact CD1-CE 3.92Å; F59-M115 HydrophobicContact CD1-CG 3.57Å; F59-M115 HydrophobicContact CD1-SD 3.89Å; F59-M115 HydrophobicContact CE1-CB 4.27Å; F59-M115 HydrophobicContact CE1-CE 3.73Å; F59-M115 HydrophobicContact CE1-CG 3.66Å; F59-M115 HydrophobicContact CE1-SD 3.41Å; F59-M115 WeakPolarHBondContact CE1-SD 3.38Å; F59-M115 HydrophobicContact CG-CG 4.35Å; F59-M115 HydrophobicContact CZ-CG 4.49Å; F59-M115 HydrophobicContact CZ-SD 4.26Å; F59-M213 CarbonylContact O-C 3.38Å; F59-M213 VanDerWaalsContact O-CA 3.25Å; F59-M213 WeakPolarHBondContact O-CA 3.47Å; F59-A214 HydrophobicContact CB-CB 4.29Å; F59-A214 PolarHBondContact N-O 3.05Å; F59-A214 PolarHBondContact O-N 3.16Å; F59-V216 HydrophobicContact CD2-CB 4.09Å; F59-V216 HydrophobicContact CD2-CG2 3.47Å; F59-V216 VanDerWaalsContact CD2-CG2 3.47Å; F59-V216 HydrophobicContact CE2-CB 3.9Å; F59-V216 HydrophobicContact CE2-CG2 3.7Å; F59-V216 HydrophobicContact CG-CG2 4.35Å; F59-L388 HydrophobicContact CE2-CD2 3.86Å; F59-L388 HydrophobicContact CE2-CG 4.02Å; F59-L388 HydrophobicContact CZ-CD2 3.87Å; F59-L388 HydrophobicContact CZ-CG 4.05Å; F59-L396 HydrophobicContact CB-CD2 4.41Å
60I94.6Very high93.8Very high0 Ų033.8 Ų33.80%019%0.187CC..EExtended strand (participates in β ladder)trans-125127.3-174.4-45.8-177000107V58 A62 N113 M114 Y116 T136 F208 R212 M213V58-I60 HydrophobicContact CG1-CD1 4.08Å; V58-I60 HydrophobicContact CG1-CG1 3.84Å; I60-A62 HydrophobicContact CB-CB 4.47Å; I60-A62 HydrophobicContact CG2-CB 3.86Å; I60-A62 PolarHBondContact O-N 3.41Å; I60-N113 CarbonylContact O-C 3.6Å; I60-N113 VanDerWaalsContact O-CA 3.28Å; I60-N113 WeakPolarHBondContact O-CA 3.45Å; I60-M114 PolarHBondContact N-O 3Å; I60-M114 PolarHBondContact O-N 3.13Å; I60-Y116 HydrophobicContact CD1-CD2 3.98Å; I60-Y116 HydrophobicContact CD1-CE2 3.91Å; I60-T136 HydrophobicContact CD1-CG2 4.39Å; I60-F208 HydrophobicContact CD1-CD1 3.36Å; I60-F208 HydrophobicContact CD1-CE1 3.34Å; I60-F208 HydrophobicContact CD1-CG 4.01Å; I60-F208 HydrophobicContact CD1-CZ 3.97Å; I60-F208 HydrophobicContact CG2-CD2 4.12Å; I60-F208 HydrophobicContact CG2-CE2 4.42Å; I60-F208 HydrophobicContact CG2-CG 4.17Å; I60-R212 CarbonylContact C-O 3.56Å; I60-R212 WeakPolarHBondContact CA-O 3.3Å; I60-M213 HydrophobicContact CD1-CE 4.21Å; I60-M213 HydrophobicContact CG1-CE 4.36Å; I60-M213 HydrophobicContact CG1-CG 4.15Å; I60-M213 HydrophobicContact CG2-CG 4.12Å
61R94Very high94.1Very high81 Ų8130.7 Ų30.731%0.30618%0.176SC..SBendtrans-73.972.7171.3-175.7167.861.6-125.3-2.6108.2Y66 E112 A211 R212 L396R61-Y66 HydrophobicContact CG-CE2 4.39Å; R61-Y66 VanDerWaalsContact CG-OH 3.27Å; R61-Y66 WeakPolarHBondContact CG-OH 3.43Å; R61-E112 CarbonylContact C-O 3.58Å; R61-A211 PolarHBondContact NH2-O 2.82Å; R61-R212 HydrophobicContact CB-CB 4.22Å; R61-R212 PolarHBondContact N-O 3.41Å; R61-R212 PolarHBondContact O-NE 2.91Å; R61-R212 PolarHBondContact O-NH2 2.81Å; R61-L396 HydrophobicContact CB-CD1 3.89Å; R61-L396 HydrophobicContact CB-CD2 4.01Å; R61-L396 HydrophobicContact CB-CG 4.04Å; R61-L396 PolarHBondContact NH1-O 3.18Å
62A93.4Very high94.3Very high0 Ų031.6 Ų31.60%018%0.178CC..  trans-143.5148.7177.500000107.6I60 E112 N113 M114 F203 N207 F208I60-A62 HydrophobicContact CB-CB 4.47Å; I60-A62 HydrophobicContact CG2-CB 3.86Å; I60-A62 PolarHBondContact O-N 3.41Å; A62-E112 CarbonylContact C-O 3.57Å; A62-E112 PolarHBondContact N-O 3.14Å; A62-E112 CarbonylContact O-C 3.58Å; A62-E112 VanDerWaalsContact O-C 3.27Å; A62-E112 VanDerWaalsContact O-O 3.13Å; A62-N113 CarbonylContact O-C 3.26Å; A62-N113 WeakPolarHBondContact O-CA 3.43Å; A62-N113 PolarHBondContact O-N 3.27Å; A62-N113 VanDerWaalsContact O-N 3.13Å; A62-M114 WeakPolarHBondContact O-CG 3.44Å; A62-M114 PolarHBondContact O-N 3.38Å; A62-F203 HydrophobicContact CB-CE1 4.11Å; A62-F203 HydrophobicContact CB-CZ 4.42Å; A62-N207 HydrophobicContact CB-CB 3.96Å; A62-F208 HydrophobicContact CB-CD2 4.32Å; A62-F208 HydrophobicContact CB-CE2 3.95Å
63G94.8Very high94.4Very high0 Ų026.8 Ų26.80%015%0.147CC..SBendtrans171.5177.4-172.600000110.4R65 Y66 R111G63-R65 PolarHBondContact O-N 3.49Å; G63-Y66 PolarHBondContact O-N 2.93Å; G63-R111 CarbonylContact C-O 3.58Å; G63-R111 WeakPolarHBondContact CA-O 3.3Å
64C95.2Very high94.6Very high0 Ų024.4 Ų24.40%013%0.127CC..G310 helixtrans-60.9-20.8-175.269.60000113Y66 E67 R111 N183 S184C64-Y66 PolarHBondContact O-N 3.28Å; C64-Y66 VanDerWaalsContact O-N 3.16Å; C64-E67 WeakPolarHBondContact O-CB 3.1Å; C64-E67 PolarHBondContact O-N 3.34Å; C64-E67 VanDerWaalsContact O-N 3.14Å; C64-R111 PolarHBondContact N-O 2.91Å; C64-N183 HydrophobicContact CB-CB 4.12Å; C64-N183 VanDerWaalsContact O-CB 3.26Å; C64-N183 WeakPolarHBondContact O-CB 3.46Å; C64-N183 PolarHBondContact O-ND2 2.99Å; C64-N183 PolarHBondContact SG-O 3.38Å; C64-N183 VanDerWaalsContact SG-O 3.34Å; C64-S184 VanDerWaalsContact CB-O 3.24Å; C64-S184 WeakPolarHBondContact CB-O 3.47Å
65R94.8Very high94.7Very high13 Ų1324.3 Ų24.35%0.04913%0.126CC..G310 helixtrans-52.9-32169.6173.1169.9-176.4147.39.7113.7G63 R111 E112 A180 A244 S326 D327G63-R65 PolarHBondContact O-N 3.49Å; R65-R111 WeakPolarHBondContact CB-O 3.32Å; R65-R111 PolarHBondContact N-O 2.88Å; R65-E112 WeakPolarHBondContact CD-OE1 3.49Å; R65-E112 IonicContact CZ-OE1 3.99Å; R65-E112 IonicContact NE-OE1 3.27Å; R65-E112 IonicContact NH1-OE1 2.96Å; R65-E112 PolarHBondContact NH1-OE1 2.97Å; R65-A180 HydrophobicContact CG-CB 3.93Å; R65-A244 PolarHBondContact NH2-O 3.38Å; R65-S326 PolarHBondContact NH1-OG 2.98Å; R65-S326 VanDerWaalsContact NH1-OG 3.1Å; R65-D327 IonicContact CZ-OD1 3.8Å; R65-D327 IonicContact CZ-OD2 3.46Å; R65-D327 IonicContact NH1-OD1 2.73Å; R65-D327 PolarHBondContact NH1-OD1 3.43Å; R65-D327 IonicContact NH1-OD2 3.67Å; R65-D327 IonicContact NH2-OD1 2.87Å; R65-D327 PolarHBondContact NH2-OD1 3.34Å; R65-D327 VanDerWaalsContact NH2-OD1 3.15Å; R65-D327 IonicContact NH2-OD2 2.79Å; R65-D327 PolarHBondContact NH2-OD2 3.49Å
66Y94.5Very high94.7Very high30 Ų3023.5 Ų23.512%0.11812%0.122CC..G310 helixtrans-98.86-175-55.9-85.1000112.9R61 G63 C64 E112R61-Y66 HydrophobicContact CG-CE2 4.39Å; R61-Y66 VanDerWaalsContact CG-OH 3.27Å; R61-Y66 WeakPolarHBondContact CG-OH 3.43Å; G63-Y66 PolarHBondContact O-N 2.93Å; C64-Y66 PolarHBondContact O-N 3.28Å; C64-Y66 VanDerWaalsContact O-N 3.16Å; Y66-E112 WeakPolarHBondContact CE2-O 3.36Å
67E94.9Very high94.8Very high15 Ų1523.6 Ų23.67%0.0712%0.123CC..  trans-76142.9172.6-66.3176.1173.600110.8C64 N71 Q72 G73 V74 T75 N183 F203C64-E67 WeakPolarHBondContact O-CB 3.1Å; C64-E67 PolarHBondContact O-N 3.34Å; C64-E67 VanDerWaalsContact O-N 3.14Å; E67-N71 VanDerWaalsContact CA-OD1 3.3Å; E67-N71 WeakPolarHBondContact CA-OD1 3.43Å; E67-N71 WeakPolarHBondContact CB-OD1 3.26Å; E67-Q72 WeakPolarHBondContact OE2-CA 3.48Å; E67-G73 VanDerWaalsContact CD-N 3.26Å; E67-G73 PolarHBondContact OE1-N 3.29Å; E67-G73 PolarHBondContact OE2-N 2.93Å; E67-V74 PolarHBondContact OE1-N 3.33Å; E67-T75 HydrophobicContact CG-CG2 4.14Å; E67-T75 WeakPolarHBondContact OE1-CB 3.38Å; E67-T75 WeakPolarHBondContact OE1-CG2 3.25Å; E67-T75 PolarHBondContact OE1-N 2.72Å; E67-T75 PolarHBondContact OE1-OG1 3.27Å; E67-N183 PolarHBondContact O-ND2 2.62Å; E67-F203 HydrophobicContact CG-CE2 4.07Å
68T92.4Very high94.8Very high61 Ų6123.7 Ų23.737%0.37412%0.124SC..  trans-93.3163.7170.366.40000109.5D70 N71 Q72T68-D70 PolarHBondContact O-N 3.01Å; T68-D70 VanDerWaalsContact O-N 3.14Å; T68-N71 PolarHBondContact N-OD1 2.9Å; T68-N71 PolarHBondContact O-N 3.42Å; T68-N71 VanDerWaalsContact O-N 3.1Å; T68-N71 PolarHBondContact O-OD1 3.47Å; T68-N71 VanDerWaalsContact OG1-CG 3.27Å; T68-N71 PolarHBondContact OG1-ND2 3.41Å; T68-N71 PolarHBondContact OG1-OD1 3.02Å; T68-Q72 VanDerWaalsContact O-CG 3.23Å; T68-Q72 WeakPolarHBondContact O-CG 3.33Å; T68-Q72 PolarHBondContact O-N 2.79Å
69P91.3Very high94.8Very high99 Ų9926.2 Ų26.264%0.64313%0.133SC*.G310 helixtrans-52.6-32.9173.4-28.437.2000113.7
70D92.1Very high94.7Very high126 Ų12626.8 Ų26.867%0.67414%0.136SC*.G310 helixtrans-79-15.6-177.5-53.1-45.2000113.9T68 M191T68-D70 PolarHBondContact O-N 3.01Å; T68-D70 VanDerWaalsContact O-N 3.14Å; D70-M191 WeakPolarHBondContact O-CE 3.45Å
71N94.1Very high94.7Very high16 Ų1627.2 Ų27.29%0.08614%0.139CC..G310 helixtrans-129.822.9-176.572.320.3000114.1E67 T68 G73 V74 H199E67-N71 VanDerWaalsContact CA-OD1 3.3Å; E67-N71 WeakPolarHBondContact CA-OD1 3.43Å; E67-N71 WeakPolarHBondContact CB-OD1 3.26Å; T68-N71 PolarHBondContact N-OD1 2.9Å; T68-N71 PolarHBondContact O-N 3.42Å; T68-N71 VanDerWaalsContact O-N 3.1Å; T68-N71 PolarHBondContact O-OD1 3.47Å; T68-N71 VanDerWaalsContact OG1-CG 3.27Å; T68-N71 PolarHBondContact OG1-ND2 3.41Å; T68-N71 PolarHBondContact OG1-OD1 3.02Å; N71-G73 PolarHBondContact O-N 2.85Å; N71-V74 HydrophobicContact CB-CG2 3.95Å; N71-V74 VanDerWaalsContact O-CB 3.3Å; N71-V74 WeakPolarHBondContact O-CB 3.43Å; N71-V74 WeakPolarHBondContact O-CG2 3.39Å; N71-V74 PolarHBondContact O-N 3.42Å; N71-H199 HydrophobicContact CB-CB 4.35Å
72Q94.8Very high94.5Very high49 Ų4923.9 Ų23.923%0.22913%0.129CC..THydrogen-bonded Turntrans-56.2128.3179.1-66.6-168-3600111.9E67 T68 N183 P188 M191E67-Q72 WeakPolarHBondContact OE2-CA 3.48Å; T68-Q72 VanDerWaalsContact O-CG 3.23Å; T68-Q72 WeakPolarHBondContact O-CG 3.33Å; T68-Q72 PolarHBondContact O-N 2.79Å; Q72-N183 PolarHBondContact NE2-OD1 2.95Å; Q72-P188 HydrophobicContact CB-CG 3.92Å; Q72-M191 HydrophobicContact CB-CG 4.38Å; Q72-M191 WeakPolarHBondContact O-CB 3.44Å
73G95.3Very high94.4Very high1 Ų127.2 Ų27.21%0.0115%0.146CC..THydrogen-bonded Turntrans90.50.8-175.800000115.4E67 N71 T75 H76 L77E67-G73 VanDerWaalsContact CD-N 3.26Å; E67-G73 PolarHBondContact OE1-N 3.29Å; E67-G73 PolarHBondContact OE2-N 2.93Å; N71-G73 PolarHBondContact O-N 2.85Å; G73-T75 PolarHBondContact O-N 2.75Å; G73-H76 WeakPolarHBondContact O-CB 2.97Å; G73-H76 PolarHBondContact O-N 3.48Å; G73-H76 VanDerWaalsContact O-N 3.17Å; G73-L77 PolarHBondContact O-N 2.69Å
74V96.7Very high94.4Very high0 Ų028.3 Ų28.30%015%0.152CC..Hα-helixtrans-56.6-39.5173.6143.20000111.8E67 N71 H76 L77 L78 I195 H199 L200 F203E67-V74 PolarHBondContact OE1-N 3.33Å; N71-V74 HydrophobicContact CB-CG2 3.95Å; N71-V74 VanDerWaalsContact O-CB 3.3Å; N71-V74 WeakPolarHBondContact O-CB 3.43Å; N71-V74 WeakPolarHBondContact O-CG2 3.39Å; N71-V74 PolarHBondContact O-N 3.42Å; V74-H76 VanDerWaalsContact C-N 3.29Å; V74-H76 PolarHBondContact O-N 2.72Å; V74-L77 PolarHBondContact O-N 2.78Å; V74-L78 HydrophobicContact CG1-CD1 3.75Å; V74-L78 HydrophobicContact CG1-CG 4.19Å; V74-L78 WeakPolarHBondContact O-CG 3.17Å; V74-L78 PolarHBondContact O-N 3.17Å; V74-I195 HydrophobicContact CG2-CG2 3.79Å; V74-H199 HydrophobicContact CG2-CB 3.7Å; V74-L200 HydrophobicContact CB-CD2 4.49Å; V74-L200 HydrophobicContact CG1-CD2 4.17Å; V74-L200 HydrophobicContact CG2-CD2 4.13Å; V74-F203 HydrophobicContact CG1-CB 3.52Å; V74-F203 HydrophobicContact CG1-CD1 3.89Å; V74-F203 HydrophobicContact CG1-CD2 3.75Å; V74-F203 HydrophobicContact CG1-CE2 4.43Å; V74-F203 HydrophobicContact CG1-CG 3.44Å; V74-F203 VanDerWaalsContact CG1-CG 3.44Å
75T96.4Very high94.5Very high1 Ų128.6 Ų28.61%0.00615%0.154CC..Hα-helixtrans-68.1-31.9-179.858.10000112.5E67 G73 L78 R79 M114 F203E67-T75 HydrophobicContact CG-CG2 4.14Å; E67-T75 WeakPolarHBondContact OE1-CB 3.38Å; E67-T75 WeakPolarHBondContact OE1-CG2 3.25Å; E67-T75 PolarHBondContact OE1-N 2.72Å; E67-T75 PolarHBondContact OE1-OG1 3.27Å; G73-T75 PolarHBondContact O-N 2.75Å; T75-L78 PolarHBondContact O-N 3.36Å; T75-R79 PolarHBondContact O-N 3.02Å; T75-M114 HydrophobicContact CG2-SD 4.32Å; T75-F203 HydrophobicContact CG2-CE1 3.69Å; T75-F203 HydrophobicContact CG2-CE2 3.95Å; T75-F203 HydrophobicContact CG2-CZ 3.31Å
76H96.8Very high94.5Very high0 Ų028.2 Ų28.20%015%0.153CC..Hα-helixtrans-64-43.4172.4-172.3-151.5000111.3G73 V74 R79 L80 D156 Y186 C187G73-H76 WeakPolarHBondContact O-CB 2.97Å; G73-H76 PolarHBondContact O-N 3.48Å; G73-H76 VanDerWaalsContact O-N 3.17Å; V74-H76 VanDerWaalsContact C-N 3.29Å; V74-H76 PolarHBondContact O-N 2.72Å; H76-R79 PolarHBondContact CD2-NH2 3.17Å; H76-R79 PolarHBondContact NE2-NH2 3.24Å; H76-R79 VanDerWaalsContact NE2-NH2 3.15Å; H76-L80 PolarHBondContact O-N 2.79Å; H76-D156 IonicContact NE2-OD2 2.85Å; H76-D156 PolarHBondContact NE2-OD2 2.93Å; H76-Y186 AromaticContact CE1-CD1 3.78Å; H76-Y186 AromaticContact NE2-CD1 3.88Å; H76-C187 HydrophobicContact CB-CB 4.42Å; H76-C187 PolarHBondContact ND1-N 3.36Å
77L96.5Very high94.4Very high3 Ų334.6 Ų34.62%0.01618%0.181CC..Hα-helixtrans-66.5-43.3173.8-105.977.6000112.3G73 V74 R79 L80 A81 V146 V153 I195 L200G73-L77 PolarHBondContact O-N 2.69Å; V74-L77 PolarHBondContact O-N 2.78Å; L77-R79 PolarHBondContact O-N 3.17Å; L77-L80 CarbonylContact O-C 3.58Å; L77-L80 WeakPolarHBondContact O-CA 3.33Å; L77-L80 PolarHBondContact O-N 2.8Å; L77-A81 WeakPolarHBondContact O-CB 3.29Å; L77-A81 PolarHBondContact O-N 3.45Å; L77-V146 HydrophobicContact CD2-CG1 4.14Å; L77-V153 HydrophobicContact CD1-CB 4.45Å; L77-V153 HydrophobicContact CD1-CG1 4.33Å; L77-V153 HydrophobicContact CD1-CG2 3.38Å; L77-V153 HydrophobicContact CG-CG2 4.05Å; L77-I195 HydrophobicContact CD1-CD1 3.91Å; L77-I195 HydrophobicContact CD2-CB 4.05Å; L77-I195 HydrophobicContact CD2-CG2 3.71Å; L77-L200 HydrophobicContact CB-CD2 3.93Å
78L96.3Very high94.1Very high2 Ų235.7 Ų35.71%0.0120%0.197CC..Hα-helixtrans-58.5-38.9179.4-76172.8000111.7V74 T75 L80 A81 M114 F141 L200 F203 V204 F208V74-L78 HydrophobicContact CG1-CD1 3.75Å; V74-L78 HydrophobicContact CG1-CG 4.19Å; V74-L78 WeakPolarHBondContact O-CG 3.17Å; V74-L78 PolarHBondContact O-N 3.17Å; T75-L78 PolarHBondContact O-N 3.36Å; L78-L80 VanDerWaalsContact C-N 3.27Å; L78-L80 PolarHBondContact O-N 3.29Å; L78-A81 PolarHBondContact O-N 2.95Å; L78-A81 VanDerWaalsContact O-N 3.12Å; L78-M114 HydrophobicContact CB-CE 3.76Å; L78-M114 HydrophobicContact CB-SD 4.48Å; L78-M114 HydrophobicContact CD1-SD 4.46Å; L78-F141 HydrophobicContact CD2-CE1 3.75Å; L78-F141 HydrophobicContact CD2-CE2 4.16Å; L78-F141 HydrophobicContact CD2-CZ 3.31Å; L78-L200 HydrophobicContact CD2-CB 4.23Å; L78-L200 HydrophobicContact CD2-CD2 3.79Å; L78-L200 HydrophobicContact CG-CD2 3.76Å; L78-F203 HydrophobicContact CD1-CD1 3.43Å; L78-F203 VanDerWaalsContact CD1-CD1 3.43Å; L78-F203 HydrophobicContact CD1-CE1 3.87Å; L78-F203 HydrophobicContact CD1-CG 4.28Å; L78-V204 HydrophobicContact CD1-CG2 4.27Å; L78-V204 HydrophobicContact CD2-CG2 3.9Å; L78-F208 HydrophobicContact CD1-CE2 4.46Å; L78-F208 HydrophobicContact CD1-CZ 4.44Å
79R95.2Very high94.2Very high53 Ų5333 Ų3320%0.218%0.181CC..Hα-helixtrans-58-39.4173.2-175.3178.467.7-178.35112.3T75 H76 L77 A81 V107 D156T75-R79 PolarHBondContact O-N 3.02Å; H76-R79 PolarHBondContact CD2-NH2 3.17Å; H76-R79 PolarHBondContact NE2-NH2 3.24Å; H76-R79 VanDerWaalsContact NE2-NH2 3.15Å; L77-R79 PolarHBondContact O-N 3.17Å; R79-A81 VanDerWaalsContact C-N 3.34Å; R79-V107 HydrophobicContact CG-CB 4.43Å; R79-V107 HydrophobicContact CG-CG1 4.25Å; R79-V107 WeakPolarHBondContact CG-O 3.15Å; R79-D156 IonicContact NH2-OD2 2.81Å
80L95.2Very high94.4Very high13 Ų1331 Ų317%0.06817%0.169CC..Hα-helixtrans-80.8-17.1178.3-63.6175.2000113.4H76 L77 L78 L149 R152 V153H76-L80 PolarHBondContact O-N 2.79Å; L77-L80 CarbonylContact O-C 3.58Å; L77-L80 WeakPolarHBondContact O-CA 3.33Å; L77-L80 PolarHBondContact O-N 2.8Å; L78-L80 VanDerWaalsContact C-N 3.27Å; L78-L80 PolarHBondContact O-N 3.29Å; L80-L149 HydrophobicContact CB-CD1 4.45Å; L80-L149 HydrophobicContact CB-CD2 4.4Å; L80-R152 HydrophobicContact CD1-CB 4.16Å; L80-R152 PolarHBondContact O-NH1 2.99Å; L80-V153 HydrophobicContact CD1-CB 4.47Å; L80-V153 HydrophobicContact CD1-CG2 3.58Å
81A94.9Very high94.6Very high8 Ų826.2 Ų26.27%0.06615%0.147CC..THydrogen-bonded Turntrans-89.33.4-175.300000114.2L77 L78 R79 N83 L84 F141 L149L77-A81 WeakPolarHBondContact O-CB 3.29Å; L77-A81 PolarHBondContact O-N 3.45Å; L78-A81 PolarHBondContact O-N 2.95Å; L78-A81 VanDerWaalsContact O-N 3.12Å; R79-A81 VanDerWaalsContact C-N 3.34Å; A81-N83 PolarHBondContact O-N 2.69Å; A81-L84 HydrophobicContact CB-CD1 3.84Å; A81-L84 HydrophobicContact CB-CG 4.1Å; A81-L84 WeakPolarHBondContact O-CB 3.05Å; A81-L84 WeakPolarHBondContact O-CG 3.46Å; A81-L84 PolarHBondContact O-N 3.45Å; A81-L84 VanDerWaalsContact O-N 3.07Å; A81-F141 HydrophobicContact CB-CD1 4.47Å; A81-F141 HydrophobicContact CB-CE1 4.02Å; A81-L149 HydrophobicContact CB-CD1 3.84Å
82S89.3Confident94.7Very high12 Ų1232.4 Ų32.48%0.08417%0.174CC..THydrogen-bonded Turntrans-56.3-27.3-175.968.90000114.5V135S82-V135 WeakPolarHBondContact O-CG1 3.44Å; S82-V135 VanDerWaalsContact O-CG2 3.26Å; S82-V135 WeakPolarHBondContact O-CG2 3.39Å
83N90.3Very high94.8Very high69 Ų6934.6 Ų34.637%0.36918%0.182SC..THydrogen-bonded Turntrans-106.313.4-175.1-59.1-10.2000112.2A81 A91A81-N83 PolarHBondContact O-N 2.69Å; N83-A91 WeakPolarHBondContact O-CA 3.14Å; N83-A91 WeakPolarHBondContact O-CB 3.33Å
84L95.6Very high94.8Very high24 Ų2434.6 Ų34.613%0.12618%0.182CC..SBendtrans-78.9169.2177-64.3-166.6000112.2A81 T86 I94 E145 L149A81-L84 HydrophobicContact CB-CD1 3.84Å; A81-L84 HydrophobicContact CB-CG 4.1Å; A81-L84 WeakPolarHBondContact O-CB 3.05Å; A81-L84 WeakPolarHBondContact O-CG 3.46Å; A81-L84 PolarHBondContact O-N 3.45Å; A81-L84 VanDerWaalsContact O-N 3.07Å; L84-T86 PolarHBondContact O-N 3.03Å; L84-I94 VanDerWaalsContact O-CD1 3.31Å; L84-I94 WeakPolarHBondContact O-CD1 3.29Å; L84-E145 HydrophobicContact CD1-CB 4.02Å; L84-E145 HydrophobicContact CD2-CB 4.03Å; L84-L149 HydrophobicContact CD1-CD1 3.94Å; L84-L149 HydrophobicContact CD1-CG 4.49Å; L84-L149 HydrophobicContact CD2-CD2 4.46Å
85T96.9Very high94.7Very high5 Ų536.9 Ų36.93%0.03120%0.198CC..  trans-64.3136.6-179.2-63.20000111.6A91 E140 E145T85-A91 PolarHBondContact OG1-N 2.94Å; T85-A91 VanDerWaalsContact OG1-N 3.12Å; T85-E140 PolarHBondContact O-N 3.37Å; T85-E145 WeakPolarHBondContact CB-OE1 3.05Å; T85-E145 WeakPolarHBondContact CB-OE2 3.33Å; T85-E145 PolarHBondContact N-OE2 2.94Å; T85-E145 PolarHBondContact OG1-OE1 3.27Å
86T95.4Very high94.6Very high5 Ų543.4 Ų43.43%0.03122%0.222CC..BIsolated β-bridgetrans-114171.2174.2660000109.3L84 G88 A89 I94 N134 V135 A138L84-T86 PolarHBondContact O-N 3.03Å; T86-G88 PolarHBondContact O-N 3.37Å; T86-G88 PolarHBondContact OG1-N 3.43Å; T86-A89 PolarHBondContact N-O 3.12Å; T86-A89 PolarHBondContact OG1-N 2.63Å; T86-A89 PolarHBondContact OG1-O 2.88Å; T86-I94 HydrophobicContact CG2-CD1 3.84Å; T86-N134 HydrophobicContact CG2-CB 4.18Å; T86-N134 WeakPolarHBondContact CG2-O 3.08Å; T86-V135 HydrophobicContact CG2-CG2 4.14Å; T86-A138 CarbonylContact C-O 3.53Å; T86-A138 VanDerWaalsContact CA-O 3.29Å; T86-A138 WeakPolarHBondContact CA-O 3.48Å; T86-A138 WeakPolarHBondContact CB-O 3.41Å
87K91.8Very high94.5Very high164 Ų16444.2 Ų44.271%0.71323%0.23SC*.SBendtrans-63.8-26.5175.3-65.8-173.4177.9-176.80113.3A138 E140K87-A138 HydrophobicContact CB-CB 4.17Å; K87-A138 HydrophobicContact CD-CB 4.37Å; K87-A138 HydrophobicContact CG-CB 4.29Å; K87-A138 PolarHBondContact N-O 2.97Å; K87-E140 HydrophobicContact CG-CG 3.88Å
88G89.6Confident94.4Very high39 Ų3944.7 Ų44.740%0.40223%0.233SC..SBendtrans-95.3-25.3-177.700000114.6T86T86-G88 PolarHBondContact O-N 3.37Å; T86-G88 PolarHBondContact OG1-N 3.43Å
89A93.9Very high94.4Very high5 Ų549.5 Ų49.54%0.04126%0.255CS..  trans-151.6138.2-17500000112.1T86 K93 I94 F131T86-A89 PolarHBondContact N-O 3.12Å; T86-A89 PolarHBondContact OG1-N 2.63Å; T86-A89 PolarHBondContact OG1-O 2.88Å; A89-K93 HydrophobicContact CB-CB 4.25Å; A89-K93 HydrophobicContact CB-CD 3.91Å; A89-K93 HydrophobicContact CB-CG 4.27Å; A89-I94 HydrophobicContact CB-CD1 4.2Å; A89-I94 HydrophobicContact CB-CG1 3.66Å; A89-F131 HydrophobicContact CB-CD1 4.18Å; A89-F131 HydrophobicContact CB-CE1 4.01Å
90S96.5Very high94.3Very high55 Ų5551.2 Ų51.239%0.38528%0.281SS..  trans-67.1156.4169.567.10000111.4F92 K93 I94S90-F92 PolarHBondContact O-N 2.97Å; S90-F92 VanDerWaalsContact O-N 3.16Å; S90-K93 PolarHBondContact O-N 3.49Å; S90-K93 PolarHBondContact OG-N 3.45Å; S90-I94 WeakPolarHBondContact O-CG1 3.35Å; S90-I94 PolarHBondContact O-N 3.26Å
91A95.8Very high94.3Very high26 Ų2651.7 Ų51.722%0.21528%0.284CS..Hα-helixtrans-48.2-42.1172.500000112.4N83 T85 I94 C95N83-A91 WeakPolarHBondContact O-CA 3.14Å; N83-A91 WeakPolarHBondContact O-CB 3.33Å; T85-A91 PolarHBondContact OG1-N 2.94Å; T85-A91 VanDerWaalsContact OG1-N 3.12Å; A91-I94 PolarHBondContact O-N 3.27Å; A91-C95 WeakPolarHBondContact O-CB 3.41Å; A91-C95 PolarHBondContact O-N 2.98Å
92F96.4Very high94.2Very high147 Ų14754.6 Ų54.665%0.64532%0.315SS*.Hα-helixtrans-64.3-44.6176.2-178.7-95.4000113S90 I94 C95 R96S90-F92 PolarHBondContact O-N 2.97Å; S90-F92 VanDerWaalsContact O-N 3.16Å; F92-I94 VanDerWaalsContact C-N 3.34Å; F92-C95 PolarHBondContact O-N 3Å; F92-R96 HydrophobicContact CD1-CG 4.28Å; F92-R96 HydrophobicContact CD2-CG 4.17Å; F92-R96 HydrophobicContact CE1-CG 3.86Å; F92-R96 HydrophobicContact CE2-CG 3.76Å; F92-R96 HydrophobicContact CG-CG 4.43Å; F92-R96 HydrophobicContact CZ-CG 3.59Å; F92-R96 WeakPolarHBondContact O-CB 3.31Å; F92-R96 WeakPolarHBondContact O-CG 3.42Å; F92-R96 PolarHBondContact O-N 3.22Å
93K96Very high94.4Very high95 Ų9554.7 Ų54.741%0.41332%0.317SS..Hα-helixtrans-64.5-40.1178.6-176.4-175.9172.7-162.50111A89 S90 G97 E130 F131A89-K93 HydrophobicContact CB-CB 4.25Å; A89-K93 HydrophobicContact CB-CD 3.91Å; A89-K93 HydrophobicContact CB-CG 4.27Å; S90-K93 PolarHBondContact O-N 3.49Å; S90-K93 PolarHBondContact OG-N 3.45Å; K93-G97 WeakPolarHBondContact O-CA 3.37Å; K93-G97 PolarHBondContact O-N 2.86Å; K93-E130 IonicContact NZ-OE1 3.88Å; K93-F131 HydrophobicContact CG-CE1 4.15Å; K93-F131 HydrophobicContact CG-CZ 4.39Å
94I95.2Very high94.6Very high0 Ų055.7 Ų55.70%032%0.323CS..Hα-helixtrans-61.5-54.8176.7-65.5165.3000109.8L84 T86 A89 S90 A91 F92 G97 I98 F131 V135L84-I94 VanDerWaalsContact O-CD1 3.31Å; L84-I94 WeakPolarHBondContact O-CD1 3.29Å; T86-I94 HydrophobicContact CG2-CD1 3.84Å; A89-I94 HydrophobicContact CB-CD1 4.2Å; A89-I94 HydrophobicContact CB-CG1 3.66Å; S90-I94 WeakPolarHBondContact O-CG1 3.35Å; S90-I94 PolarHBondContact O-N 3.26Å; A91-I94 PolarHBondContact O-N 3.27Å; F92-I94 VanDerWaalsContact C-N 3.34Å; I94-G97 PolarHBondContact O-N 3.09Å; I94-I98 HydrophobicContact CG2-CD1 3.75Å; I94-I98 WeakPolarHBondContact O-CB 3.47Å; I94-I98 WeakPolarHBondContact O-CD1 3.46Å; I94-I98 WeakPolarHBondContact O-CG1 3.26Å; I94-I98 PolarHBondContact O-N 3.41Å; I94-F131 HydrophobicContact CB-CD1 4.39Å; I94-F131 HydrophobicContact CG1-CD1 3.9Å; I94-F131 HydrophobicContact CG1-CE1 4.38Å; I94-V135 HydrophobicContact CD1-CG2 4.13Å; I94-V135 HydrophobicContact CG2-CG2 4.48Å
95C94.6Very high94.6Very high49 Ų4955.4 Ų55.433%0.33132%0.322SS..Hα-helixtrans-59.2-51.6-179.1175.10000112A91 F92 E99A91-C95 WeakPolarHBondContact O-CB 3.41Å; A91-C95 PolarHBondContact O-N 2.98Å; F92-C95 PolarHBondContact O-N 3Å; C95-E99 WeakPolarHBondContact O-CB 3.35Å; C95-E99 WeakPolarHBondContact O-CG 3.49Å; C95-E99 PolarHBondContact O-N 3.3Å
96R95.4Very high94.5Very high137 Ų13757.5 Ų57.552%0.51734%0.336SS..Hα-helixtrans-70-33.8-179.7-69.1-54.5-167-178.33.8113.7F92 E99 A100F92-R96 HydrophobicContact CD1-CG 4.28Å; F92-R96 HydrophobicContact CD2-CG 4.17Å; F92-R96 HydrophobicContact CE1-CG 3.86Å; F92-R96 HydrophobicContact CE2-CG 3.76Å; F92-R96 HydrophobicContact CG-CG 4.43Å; F92-R96 HydrophobicContact CZ-CG 3.59Å; F92-R96 WeakPolarHBondContact O-CB 3.31Å; F92-R96 WeakPolarHBondContact O-CG 3.42Å; F92-R96 PolarHBondContact O-N 3.22Å; R96-E99 IonicContact CZ-OE2 3.75Å; R96-E99 IonicContact NH1-OE2 2.79Å; R96-E99 PolarHBondContact NH1-OE2 2.87Å; R96-A100 WeakPolarHBondContact O-CB 3.28Å; R96-A100 PolarHBondContact O-N 2.94Å
97G94.8Very high94.5Very high17 Ų1758.4 Ų58.418%0.17534%0.342CS..Hα-helixtrans-65-43.9177.700000111.8K93 I94K93-G97 WeakPolarHBondContact O-CA 3.37Å; K93-G97 PolarHBondContact O-N 2.86Å; I94-G97 PolarHBondContact O-N 3.09Å
98I94.6Very high94.6Very high13 Ų1353.4 Ų53.47%0.06733%0.327CS..Hα-helixtrans-69.1-45.1176.9-66.3164.1000110.9I94 A100 V101 G102 G103 L105 F131I94-I98 HydrophobicContact CG2-CD1 3.75Å; I94-I98 WeakPolarHBondContact O-CB 3.47Å; I94-I98 WeakPolarHBondContact O-CD1 3.46Å; I94-I98 WeakPolarHBondContact O-CG1 3.26Å; I94-I98 PolarHBondContact O-N 3.41Å; I98-A100 VanDerWaalsContact C-N 3.34Å; I98-A100 PolarHBondContact O-N 2.76Å; I98-V101 VanDerWaalsContact O-CG2 3.26Å; I98-V101 WeakPolarHBondContact O-CG2 3.4Å; I98-V101 PolarHBondContact O-N 3.02Å; I98-G102 PolarHBondContact O-N 3.03Å; I98-G103 WeakPolarHBondContact CG2-O 3.26Å; I98-G103 PolarHBondContact O-N 3.31Å; I98-L105 HydrophobicContact CD1-CB 3.76Å; I98-L105 HydrophobicContact CD1-CD2 3.96Å; I98-F131 HydrophobicContact CD1-CB 4.36Å; I98-F131 HydrophobicContact CG1-CD2 3.92Å; I98-F131 HydrophobicContact CG1-CG 4.43Å
99E94.3Very high94.8Very high104 Ų10452.4 Ų52.449%0.48631%0.314SS..Hα-helixtrans-63.3-37.1178.2-76.2178.717800113C95 R96 V101 G102C95-E99 WeakPolarHBondContact O-CB 3.35Å; C95-E99 WeakPolarHBondContact O-CG 3.49Å; C95-E99 PolarHBondContact O-N 3.3Å; R96-E99 IonicContact CZ-OE2 3.75Å; R96-E99 IonicContact NH1-OE2 2.79Å; R96-E99 PolarHBondContact NH1-OE2 2.87Å; E99-V101 PolarHBondContact O-N 2.79Å; E99-G102 PolarHBondContact O-N 2.92Å
100A94.9Very high94.9Very high89 Ų8954.3 Ų54.374%0.73633%0.327SS*.Hα-helixtrans-63.2-30.5-177.400000112.9R96 I98R96-A100 WeakPolarHBondContact O-CB 3.28Å; R96-A100 PolarHBondContact O-N 2.94Å; I98-A100 VanDerWaalsContact C-N 3.34Å; I98-A100 PolarHBondContact O-N 2.76Å
101V93.9Very high94.8Very high23 Ų2352.4 Ų52.414%0.13931%0.312CS..THydrogen-bonded Turntrans-95.26.7176.5-57.70000112.6I98 E99 G103 D124 T127 V128I98-V101 VanDerWaalsContact O-CG2 3.26Å; I98-V101 WeakPolarHBondContact O-CG2 3.4Å; I98-V101 PolarHBondContact O-N 3.02Å; E99-V101 PolarHBondContact O-N 2.79Å; V101-G103 PolarHBondContact O-N 2.84Å; V101-D124 HydrophobicContact CB-CB 3.88Å; V101-D124 HydrophobicContact CG1-CB 4.08Å; V101-D124 HydrophobicContact CG2-CB 4.33Å; V101-T127 HydrophobicContact CG1-CG2 4.38Å; V101-V128 HydrophobicContact CG2-CG1 3.61Å
102G92.8Very high94.7Very high69 Ų6952 Ų5271%0.71131%0.305SS*.THydrogen-bonded Turntrans66.121.4-176.600000113.8I98 E99I98-G102 PolarHBondContact O-N 3.03Å; E99-G102 PolarHBondContact O-N 2.92Å
103G93.8Very high94.6Very high13 Ų1346.6 Ų46.613%0.13428%0.283CS..  trans-81169.2179.400000113.2I98 V101 D119I98-G103 WeakPolarHBondContact CG2-O 3.26Å; I98-G103 PolarHBondContact O-N 3.31Å; V101-G103 PolarHBondContact O-N 2.84Å; G103-D119 CarbonylContact C-O 3.58Å; G103-D119 WeakPolarHBondContact CA-O 3.33Å
104N94.9Very high94.6Very high90 Ų9042.1 Ų42.148%0.48126%0.264SS..EExtended strand (participates in β ladder)trans-139.3120176.5178.150.9000110.7V118 D119N104-V118 CarbonylContact O-C 3.27Å; N104-V118 VanDerWaalsContact O-CA 3.3Å; N104-V118 WeakPolarHBondContact O-CA 3.31Å; N104-D119 HydrophobicContact CB-CB 4.33Å; N104-D119 PolarHBondContact N-O 3.07Å; N104-D119 PolarHBondContact O-N 2.78Å
105L94.9Very high94.6Very high19 Ų1942.8 Ų42.810%0.09927%0.267CS..EExtended strand (participates in β ladder)trans-98122.5172.9173.164.4000109.6I98 V117 V118 L132 V135I98-L105 HydrophobicContact CD1-CB 3.76Å; I98-L105 HydrophobicContact CD1-CD2 3.96Å; L105-V117 WeakPolarHBondContact CA-O 3.2Å; L105-V118 HydrophobicContact CD1-CB 4.49Å; L105-L132 HydrophobicContact CD1-CD1 4.3Å; L105-V135 HydrophobicContact CD2-CG2 4.36Å
106S94.7Very high94.7Very high48 Ų4840.7 Ų40.734%0.33625%0.252SS..EExtended strand (participates in β ladder)trans-126.3144.8179.159.10000110.5V117S106-V117 PolarHBondContact N-O 3.4Å; S106-V117 PolarHBondContact O-N 3.1Å; S106-V117 PolarHBondContact OG-O 3.24Å
107V95.7Very high94.8Very high24 Ų2434.8 Ų34.815%0.14523%0.231CC..EExtended strand (participates in β ladder)trans-129.1126176.7-175.90000109.7R79 M114 M115 Y116R79-V107 HydrophobicContact CG-CB 4.43Å; R79-V107 HydrophobicContact CG-CG1 4.25Å; R79-V107 WeakPolarHBondContact CG-O 3.15Å; V107-M114 HydrophobicContact CG1-CE 4.41Å; V107-M115 VanDerWaalsContact CA-O 3.26Å; V107-M115 WeakPolarHBondContact CA-O 2.9Å; V107-Y116 HydrophobicContact CB-CD1 4.36Å; V107-Y116 HydrophobicContact CB-CE1 4.45Å; V107-Y116 HydrophobicContact CG1-CD1 4.05Å; V107-Y116 HydrophobicContact CG1-CD2 4.4Å; V107-Y116 HydrophobicContact CG1-CE1 3.86Å; V107-Y116 HydrophobicContact CG1-CE2 4.22Å; V107-Y116 HydrophobicContact CG1-CG 4.3Å; V107-Y116 HydrophobicContact CG2-CD1 3.34Å; V107-Y116 HydrophobicContact CG2-CE1 3.67Å; V107-Y116 HydrophobicContact CG2-CG 4Å
108S94.4Very high94.8Very high59 Ų5934 Ų3441%0.41322%0.223SC..EExtended strand (participates in β ladder)trans-118.3153.6173720000110.1M114 M115S108-M114 WeakPolarHBondContact O-CA 3.23Å; S108-M115 PolarHBondContact N-O 3.3Å; S108-M115 PolarHBondContact O-N 3Å
109S94.3Very high94.8Very high18 Ų1835.5 Ų35.513%0.12623%0.231CC..EExtended strand (participates in β ladder)trans-140.1127.5179.662.80000109.8N113S109-N113 CarbonylContact C-O 3.49Å; S109-N113 WeakPolarHBondContact CA-O 3.49Å
110S94.1Very high94.9Very high46 Ų4631 Ų3132%0.32221%0.211SC..  trans-102.3-173.4167.683.10000110.1E112 N113S110-E112 PolarHBondContact O-N 2.92Å; S110-E112 PolarHBondContact OG-N 2.64Å; S110-N113 PolarHBondContact N-O 2.98Å; S110-N113 PolarHBondContact OG-N 2.81Å; S110-N113 PolarHBondContact OG-O 2.98Å
111R95.1Very high94.9Very high14 Ų1431.2 Ų31.25%0.05320%0.2CC..SBendtrans-64.9-30.1175.2-69-177150.265.112112.1G63 C64 R65 E170 H173 L181 L185 Y325G63-R111 CarbonylContact C-O 3.58Å; G63-R111 WeakPolarHBondContact CA-O 3.3Å; C64-R111 PolarHBondContact N-O 2.91Å; R65-R111 WeakPolarHBondContact CB-O 3.32Å; R65-R111 PolarHBondContact N-O 2.88Å; R111-E170 IonicContact CZ-OE1 3.15Å; R111-E170 VanDerWaalsContact CZ-OE1 3.29Å; R111-E170 IonicContact CZ-OE2 2.73Å; R111-E170 IonicContact NH1-OE1 2.71Å; R111-E170 PolarHBondContact NH1-OE1 3.37Å; R111-E170 IonicContact NH2-OE1 3.9Å; R111-E170 PolarHBondContact NH2-OE1 3.22Å; R111-E170 IonicContact NH2-OE2 2.76Å; R111-E170 PolarHBondContact NH2-OE2 3.35Å; R111-H173 PolarHBondContact NE-CD2 2.98Å; R111-L181 HydrophobicContact CB-CD2 4.25Å; R111-L181 PolarHBondContact NE-O 3.2Å; R111-L185 HydrophobicContact CG-CD2 3.9Å; R111-L185 HydrophobicContact CG-CG 4.39Å; R111-Y325 HydrophobicContact CB-CE1 4.22Å
112E93.6Very high94.8Very high18 Ų1834 Ų348%0.08421%0.207CC..SBendtrans-115.5-23.6-173.4-57.7-164103.600114.3R61 A62 R65 Y66 S110 L181 Y325 S326R61-E112 CarbonylContact C-O 3.58Å; A62-E112 CarbonylContact C-O 3.57Å; A62-E112 PolarHBondContact N-O 3.14Å; A62-E112 CarbonylContact O-C 3.58Å; A62-E112 VanDerWaalsContact O-C 3.27Å; A62-E112 VanDerWaalsContact O-O 3.13Å; R65-E112 WeakPolarHBondContact CD-OE1 3.49Å; R65-E112 IonicContact CZ-OE1 3.99Å; R65-E112 IonicContact NE-OE1 3.27Å; R65-E112 IonicContact NH1-OE1 2.96Å; R65-E112 PolarHBondContact NH1-OE1 2.97Å; Y66-E112 WeakPolarHBondContact CE2-O 3.36Å; S110-E112 PolarHBondContact O-N 2.92Å; S110-E112 PolarHBondContact OG-N 2.64Å; E112-L181 HydrophobicContact CG-CD2 4.36Å; E112-Y325 HydrophobicContact CG-CD1 4.12Å; E112-Y325 WeakPolarHBondContact OE2-CA 3.32Å; E112-Y325 VanDerWaalsContact OE2-CB 3.28Å; E112-Y325 WeakPolarHBondContact OE2-CB 3.3Å; E112-S326 WeakPolarHBondContact OE1-CB 3.48Å; E112-S326 PolarHBondContact OE1-N 2.92Å; E112-S326 PolarHBondContact OE1-OG 3.37Å; E112-S326 PolarHBondContact OE2-N 3.2Å
113N94.6Very high94.8Very high34 Ų3437.9 Ų37.918%0.18221%0.212CC..  trans-131.8145.2-169.8-54.3-35.4000111.9I60 A62 S109 S110 L396I60-N113 CarbonylContact O-C 3.6Å; I60-N113 VanDerWaalsContact O-CA 3.28Å; I60-N113 WeakPolarHBondContact O-CA 3.45Å; A62-N113 CarbonylContact O-C 3.26Å; A62-N113 WeakPolarHBondContact O-CA 3.43Å; A62-N113 PolarHBondContact O-N 3.27Å; A62-N113 VanDerWaalsContact O-N 3.13Å; S109-N113 CarbonylContact C-O 3.49Å; S109-N113 WeakPolarHBondContact CA-O 3.49Å; S110-N113 PolarHBondContact N-O 2.98Å; S110-N113 PolarHBondContact OG-N 2.81Å; S110-N113 PolarHBondContact OG-O 2.98Å; N113-L396 HydrophobicContact CB-CD2 4.14Å; N113-L396 VanDerWaalsContact OD1-CD2 3.24Å; N113-L396 WeakPolarHBondContact OD1-CD2 3.15Å
114M95.9Very high94.8Very high0 Ų039.3 Ų39.30%022%0.217CC..EExtended strand (participates in β ladder)trans-119.3138.3168-71.4-174.381.800108.1I60 A62 T75 L78 V107 S108 Y116 F208I60-M114 PolarHBondContact N-O 3Å; I60-M114 PolarHBondContact O-N 3.13Å; A62-M114 WeakPolarHBondContact O-CG 3.44Å; A62-M114 PolarHBondContact O-N 3.38Å; T75-M114 HydrophobicContact CG2-SD 4.32Å; L78-M114 HydrophobicContact CB-CE 3.76Å; L78-M114 HydrophobicContact CB-SD 4.48Å; L78-M114 HydrophobicContact CD1-SD 4.46Å; V107-M114 HydrophobicContact CG1-CE 4.41Å; S108-M114 WeakPolarHBondContact O-CA 3.23Å; M114-Y116 HydrophobicContact CB-CE2 4.18Å; M114-Y116 HydrophobicContact CE-CE2 4.39Å; M114-F208 HydrophobicContact SD-CE2 4.46Å; M114-F208 HydrophobicContact SD-CZ 4.19Å
115M96.2Very high94.6Very high15 Ų1535.7 Ų35.77%0.07420%0.197CC..EExtended strand (participates in β ladder)trans-126121.5-176.2-49.7173.5178.600108F59 V107 S108 V117 E389F59-M115 HydrophobicContact CD1-CB 4.29Å; F59-M115 HydrophobicContact CD1-CE 3.92Å; F59-M115 HydrophobicContact CD1-CG 3.57Å; F59-M115 HydrophobicContact CD1-SD 3.89Å; F59-M115 HydrophobicContact CE1-CB 4.27Å; F59-M115 HydrophobicContact CE1-CE 3.73Å; F59-M115 HydrophobicContact CE1-CG 3.66Å; F59-M115 HydrophobicContact CE1-SD 3.41Å; F59-M115 WeakPolarHBondContact CE1-SD 3.38Å; F59-M115 HydrophobicContact CG-CG 4.35Å; F59-M115 HydrophobicContact CZ-CG 4.49Å; F59-M115 HydrophobicContact CZ-SD 4.26Å; V107-M115 VanDerWaalsContact CA-O 3.26Å; V107-M115 WeakPolarHBondContact CA-O 2.9Å; S108-M115 PolarHBondContact N-O 3.3Å; S108-M115 PolarHBondContact O-N 3Å; M115-V117 HydrophobicContact CB-CG2 4.36Å; M115-E389 HydrophobicContact CE-CG 4.02Å; M115-E389 HydrophobicContact SD-CG 4.29Å
116Y96.6Very high94.3Very high5 Ų540.4 Ų40.42%0.0222%0.223CC..EExtended strand (participates in β ladder)trans-107.3114.1172.9-66.9-105.5000107G57 V58 I60 V107 M114 L132 V135 T136 F208G57-Y116 CarbonylContact C-O 3.34Å; G57-Y116 VanDerWaalsContact CA-O 3.24Å; G57-Y116 WeakPolarHBondContact CA-O 3.44Å; V58-Y116 PolarHBondContact N-O 2.91Å; V58-Y116 PolarHBondContact O-N 3.33Å; I60-Y116 HydrophobicContact CD1-CD2 3.98Å; I60-Y116 HydrophobicContact CD1-CE2 3.91Å; V107-Y116 HydrophobicContact CB-CD1 4.36Å; V107-Y116 HydrophobicContact CB-CE1 4.45Å; V107-Y116 HydrophobicContact CG1-CD1 4.05Å; V107-Y116 HydrophobicContact CG1-CD2 4.4Å; V107-Y116 HydrophobicContact CG1-CE1 3.86Å; V107-Y116 HydrophobicContact CG1-CE2 4.22Å; V107-Y116 HydrophobicContact CG1-CG 4.3Å; V107-Y116 HydrophobicContact CG2-CD1 3.34Å; V107-Y116 HydrophobicContact CG2-CE1 3.67Å; V107-Y116 HydrophobicContact CG2-CG 4Å; M114-Y116 HydrophobicContact CB-CE2 4.18Å; M114-Y116 HydrophobicContact CE-CE2 4.39Å; Y116-L132 WeakPolarHBondContact O-CD1 3.46Å; Y116-V135 HydrophobicContact CD1-CG1 3.85Å; Y116-V135 HydrophobicContact CE1-CG1 3.89Å; Y116-T136 HydrophobicContact CD1-CG2 3.96Å; Y116-T136 HydrophobicContact CD2-CG2 3.86Å; Y116-T136 HydrophobicContact CE2-CG2 4.45Å; Y116-T136 HydrophobicContact CG-CG2 3.6Å; Y116-F208 AromaticContact CE2-CE1 3.93Å; Y116-F208 HydrophobicContact CE2-CE1 3.93Å; Y116-F208 HydrophobicContact CE2-CZ 4.12Å
117V96.6Very high94Very high13 Ų1341.1 Ų41.18%0.07923%0.225CC..EExtended strand (participates in β ladder)trans-126.3129.7-171.5-179.30000109.7K55 I56 L105 S106 M115 L388K55-V117 HydrophobicContact CD-CG1 3.94Å; K55-V117 HydrophobicContact CG-CG1 3.58Å; I56-V117 CarbonylContact O-C 3.33Å; I56-V117 WeakPolarHBondContact O-CA 3.08Å; L105-V117 WeakPolarHBondContact CA-O 3.2Å; S106-V117 PolarHBondContact N-O 3.4Å; S106-V117 PolarHBondContact O-N 3.1Å; S106-V117 PolarHBondContact OG-O 3.24Å; M115-V117 HydrophobicContact CB-CG2 4.36Å; V117-L388 HydrophobicContact CB-CD2 4.38Å; V117-L388 HydrophobicContact CG1-CD2 3.69Å; V117-L388 HydrophobicContact CG2-CD2 3.71Å
118V95.7Very high93.8Very high1 Ų140 Ų401%0.00622%0.218CC..EExtended strand (participates in β ladder)trans-114.9130.4171.872.30000110.8K55 I56 N104 L105 V128 L132K55-V118 WeakPolarHBondContact CA-O 3.13Å; I56-V118 HydrophobicContact CB-CG1 4.11Å; I56-V118 PolarHBondContact N-O 2.88Å; I56-V118 PolarHBondContact O-N 2.83Å; N104-V118 CarbonylContact O-C 3.27Å; N104-V118 VanDerWaalsContact O-CA 3.3Å; N104-V118 WeakPolarHBondContact O-CA 3.31Å; L105-V118 HydrophobicContact CD1-CB 4.49Å; V118-V128 HydrophobicContact CG1-CB 4.23Å; V118-V128 HydrophobicContact CG1-CG2 3.87Å; V118-V128 HydrophobicContact CG2-CB 3.86Å; V118-V128 HydrophobicContact CG2-CG1 4.31Å; V118-V128 HydrophobicContact CG2-CG2 4.2Å; V118-L132 HydrophobicContact CG1-CB 4.36Å; V118-L132 HydrophobicContact CG1-CD2 4.03Å
119D94.8Very high93.7Very high43 Ų4337.7 Ų37.723%0.2320%0.201CC..EExtended strand (participates in β ladder)trans-101.1136.8171.4-61.5-38.9000108.9K55 G103 N104K55-D119 WeakPolarHBondContact CB-OD1 2.9Å; K55-D119 WeakPolarHBondContact CD-OD1 3.48Å; K55-D119 WeakPolarHBondContact CE-OD1 3.33Å; K55-D119 WeakPolarHBondContact CG-OD1 3.37Å; K55-D119 IonicContact NZ-OD1 2.95Å; K55-D119 PolarHBondContact NZ-OD1 3.06Å; K55-D119 IonicContact NZ-OD2 3.29Å; K55-D119 PolarHBondContact NZ-OD2 2.8Å; G103-D119 CarbonylContact C-O 3.58Å; G103-D119 WeakPolarHBondContact CA-O 3.33Å; N104-D119 HydrophobicContact CB-CB 4.33Å; N104-D119 PolarHBondContact N-O 3.07Å; N104-D119 PolarHBondContact O-N 2.78Å
120C95Very high93.4Very high9 Ų941.1 Ų41.16%0.06122%0.215CC..EExtended strand (participates in β ladder)trans-156.7170.2179.662.60000111.8A53 S54 V128A53-C120 WeakPolarHBondContact CA-O 3.5Å; S54-C120 PolarHBondContact N-O 2.84Å; S54-C120 PolarHBondContact O-N 2.81Å; C120-V128 HydrophobicContact CB-CB 4.46Å; C120-V128 HydrophobicContact CB-CG1 3.92Å; C120-V128 HydrophobicContact CB-CG2 3.8Å; C120-V128 WeakPolarHBondContact SG-CG2 3.37Å
121L95.2Very high93.4Very high95 Ų9539.3 Ų39.350%0.49720%0.201SC..EExtended strand (participates in β ladder)trans-70.9148.9163.2-64.1175.6000109.7D123 D124L121-D123 PolarHBondContact O-N 2.86Å; L121-D124 PolarHBondContact O-N 2.79Å
122R91.8Very high93.3Very high80 Ų8038.8 Ų38.830%0.30220%0.199SC..G310 helixtrans-55.9-35.6-177.5-172.8-178-177.9105.95.4113.1E48 P52 D124 I125 G219E48-R122 IonicContact OE1-CZ 3.47Å; E48-R122 IonicContact OE1-NH1 2.72Å; E48-R122 PolarHBondContact OE1-NH1 2.84Å; E48-R122 IonicContact OE1-NH2 3.33Å; E48-R122 PolarHBondContact OE1-NH2 2.82Å; E48-R122 IonicContact OE2-CZ 3.46Å; E48-R122 IonicContact OE2-NH1 3.42Å; E48-R122 PolarHBondContact OE2-NH1 2.83Å; E48-R122 IonicContact OE2-NH2 2.69Å; E48-R122 PolarHBondContact OE2-NH2 3.36Å; P52-R122 WeakPolarHBondContact O-CB 3.4Å; P52-R122 PolarHBondContact O-N 2.88Å; R122-D124 PolarHBondContact O-N 2.96Å; R122-I125 HydrophobicContact CG-CD1 4.09Å; R122-I125 WeakPolarHBondContact O-CD1 3.45Å; R122-I125 VanDerWaalsContact O-CG1 3.25Å; R122-I125 WeakPolarHBondContact O-CG1 3.48Å; R122-G219 PolarHBondContact NH1-O 3.34Å
123D92.4Very high93.2Very high152 Ų15238.5 Ų38.581%0.81320%0.198SC*.G310 helixtrans-72.3-18-178.5-61.7-24.2000112.9L121L121-D123 PolarHBondContact O-N 2.86Å
124D93.7Very high93Very high42 Ų4238.1 Ų38.123%0.22520%0.196CC..G310 helixtrans-103.37.5-174.8-66.4-61.8000113.6V101 L121 R122 D126 T127 V128V101-D124 HydrophobicContact CB-CB 3.88Å; V101-D124 HydrophobicContact CG1-CB 4.08Å; V101-D124 HydrophobicContact CG2-CB 4.33Å; L121-D124 PolarHBondContact O-N 2.79Å; R122-D124 PolarHBondContact O-N 2.96Å; D124-D126 VanDerWaalsContact C-N 3.31Å; D124-D126 PolarHBondContact O-N 2.93Å; D124-T127 WeakPolarHBondContact O-CB 3.41Å; D124-T127 PolarHBondContact O-N 2.92Å; D124-T127 VanDerWaalsContact O-N 3.17Å; D124-V128 PolarHBondContact O-N 2.95Å; D124-V128 VanDerWaalsContact O-N 3.14Å
125I91.4Very high92.9Very high15 Ų1538.5 Ų38.58%0.07720%0.199CC..Hα-helixtrans-51.3-49.8-178.6-73.5164.9000111.3I56 R122 T127 V128 M129 V220I56-I125 HydrophobicContact CD1-CB 4.38Å; I56-I125 HydrophobicContact CD1-CG1 4.28Å; I56-I125 HydrophobicContact CD1-CG2 3.6Å; R122-I125 HydrophobicContact CG-CD1 4.09Å; R122-I125 WeakPolarHBondContact O-CD1 3.45Å; R122-I125 VanDerWaalsContact O-CG1 3.25Å; R122-I125 WeakPolarHBondContact O-CG1 3.48Å; I125-T127 VanDerWaalsContact C-N 3.26Å; I125-T127 PolarHBondContact O-N 3.31Å; I125-V128 WeakPolarHBondContact O-CG2 3.46Å; I125-V128 PolarHBondContact O-N 3.05Å; I125-M129 HydrophobicContact CG2-CE 3.96Å; I125-M129 HydrophobicContact CG2-SD 4.39Å; I125-M129 WeakPolarHBondContact O-CB 3.37Å; I125-M129 PolarHBondContact O-N 3.27Å; I125-V220 HydrophobicContact CD1-CB 4.49Å; I125-V220 HydrophobicContact CD1-CG1 4.32Å; I125-V220 HydrophobicContact CD1-CG2 3.77Å; I125-V220 HydrophobicContact CG1-CG2 4.43Å
126D88.9Confident92.7Very high118 Ų11837.8 Ų37.863%0.63120%0.195SC*.Hα-helixtrans-60.1-39.8-175.1-67.9-22.6000111.5D124D124-D126 VanDerWaalsContact C-N 3.31Å; D124-D126 PolarHBondContact O-N 2.93Å
127T88.4Confident92.3Very high63 Ų6338.4 Ų38.439%0.38720%0.2SC..Hα-helixtrans-66.2-49.1178.7-56.70000111.5V101 D124 I125 M129 F131V101-T127 HydrophobicContact CG1-CG2 4.38Å; D124-T127 WeakPolarHBondContact O-CB 3.41Å; D124-T127 PolarHBondContact O-N 2.92Å; D124-T127 VanDerWaalsContact O-N 3.17Å; I125-T127 VanDerWaalsContact C-N 3.26Å; I125-T127 PolarHBondContact O-N 3.31Å; T127-M129 VanDerWaalsContact C-N 3.35Å; T127-F131 HydrophobicContact CG2-CE2 4.23Å; T127-F131 WeakPolarHBondContact O-CD2 3.47Å
128V91.9Very high92Very high0 Ų038.7 Ų38.70%020%0.203CC..Hα-helixtrans-75.1-28-175.2-61.40000113.1V101 V118 C120 D124 I125 E130 F131 L132V101-V128 HydrophobicContact CG2-CG1 3.61Å; V118-V128 HydrophobicContact CG1-CB 4.23Å; V118-V128 HydrophobicContact CG1-CG2 3.87Å; V118-V128 HydrophobicContact CG2-CB 3.86Å; V118-V128 HydrophobicContact CG2-CG1 4.31Å; V118-V128 HydrophobicContact CG2-CG2 4.2Å; C120-V128 HydrophobicContact CB-CB 4.46Å; C120-V128 HydrophobicContact CB-CG1 3.92Å; C120-V128 HydrophobicContact CB-CG2 3.8Å; C120-V128 WeakPolarHBondContact SG-CG2 3.37Å; D124-V128 PolarHBondContact O-N 2.95Å; D124-V128 VanDerWaalsContact O-N 3.14Å; I125-V128 WeakPolarHBondContact O-CG2 3.46Å; I125-V128 PolarHBondContact O-N 3.05Å; V128-E130 VanDerWaalsContact C-N 3.33Å; V128-E130 PolarHBondContact O-N 2.78Å; V128-F131 PolarHBondContact O-N 3.27Å; V128-L132 PolarHBondContact O-N 3.32Å
129M90.9Very high92Very high10 Ų1039.4 Ų39.45%0.04921%0.208CC..Hα-helixtrans-67.3-35.1-179.5-174.5157.558.500111.8I56 I125 T127 F131 L132 I133 V224 L225 V228I56-M129 HydrophobicContact CD1-SD 4.4Å; I125-M129 HydrophobicContact CG2-CE 3.96Å; I125-M129 HydrophobicContact CG2-SD 4.39Å; I125-M129 WeakPolarHBondContact O-CB 3.37Å; I125-M129 PolarHBondContact O-N 3.27Å; T127-M129 VanDerWaalsContact C-N 3.35Å; M129-F131 VanDerWaalsContact C-N 3.3Å; M129-F131 PolarHBondContact O-N 3.32Å; M129-L132 PolarHBondContact O-N 3.48Å; M129-I133 HydrophobicContact CG-CD1 4.04Å; M129-I133 WeakPolarHBondContact O-CB 3.18Å; M129-I133 WeakPolarHBondContact O-CD1 3.33Å; M129-I133 VanDerWaalsContact O-CG1 3.26Å; M129-I133 WeakPolarHBondContact O-CG1 3.5Å; M129-I133 PolarHBondContact O-N 3.29Å; M129-V224 HydrophobicContact CE-CG1 4.34Å; M129-L225 HydrophobicContact SD-CD2 4.42Å; M129-V228 HydrophobicContact CE-CB 4.45Å; M129-V228 HydrophobicContact CE-CG1 4.45Å; M129-V228 HydrophobicContact CE-CG2 3.31Å; M129-V228 HydrophobicContact CG-CG1 3.91Å; M129-V228 HydrophobicContact CG-CG2 4.46Å; M129-V228 HydrophobicContact SD-CB 4.03Å; M129-V228 HydrophobicContact SD-CG1 3.68Å; M129-V228 HydrophobicContact SD-CG2 3.48Å; M129-V228 WeakPolarHBondContact SD-CG2 3.31Å
130E89.8Confident92Very high90 Ų9040.1 Ų40.142%0.42121%0.21SC..Hα-helixtrans-55.4-46.4170.5-171.9-166.6148.300111.1K93 V128 N134K93-E130 IonicContact NZ-OE1 3.88Å; V128-E130 VanDerWaalsContact C-N 3.33Å; V128-E130 PolarHBondContact O-N 2.78Å; E130-N134 WeakPolarHBondContact O-CB 3.34Å; E130-N134 VanDerWaalsContact O-CG 3.24Å; E130-N134 PolarHBondContact O-N 3.24Å; E130-N134 PolarHBondContact O-ND2 2.96Å
131F93.1Very high92Very high8 Ų840 Ų404%0.03521%0.208CC..Hα-helixtrans-66.7-43.9178.9-62-55.4000112.2A89 K93 I94 I98 T127 V128 M129 I133 N134 V135A89-F131 HydrophobicContact CB-CD1 4.18Å; A89-F131 HydrophobicContact CB-CE1 4.01Å; K93-F131 HydrophobicContact CG-CE1 4.15Å; K93-F131 HydrophobicContact CG-CZ 4.39Å; I94-F131 HydrophobicContact CB-CD1 4.39Å; I94-F131 HydrophobicContact CG1-CD1 3.9Å; I94-F131 HydrophobicContact CG1-CE1 4.38Å; I98-F131 HydrophobicContact CD1-CB 4.36Å; I98-F131 HydrophobicContact CG1-CD2 3.92Å; I98-F131 HydrophobicContact CG1-CG 4.43Å; T127-F131 HydrophobicContact CG2-CE2 4.23Å; T127-F131 WeakPolarHBondContact O-CD2 3.47Å; V128-F131 PolarHBondContact O-N 3.27Å; M129-F131 VanDerWaalsContact C-N 3.3Å; M129-F131 PolarHBondContact O-N 3.32Å; F131-I133 VanDerWaalsContact C-N 3.32Å; F131-I133 PolarHBondContact O-N 2.62Å; F131-N134 PolarHBondContact O-N 3.46Å; F131-V135 WeakPolarHBondContact O-CB 3.2Å; F131-V135 VanDerWaalsContact O-CG2 3.28Å; F131-V135 WeakPolarHBondContact O-CG2 3.24Å; F131-V135 PolarHBondContact O-N 2.92Å
132L93.4Very high92.1Very high3 Ų339.5 Ų39.52%0.01620%0.2CC..Hα-helixtrans-59.4-43.7178.7-179.561.8000111.9I56 V58 L105 Y116 V118 V128 M129 T136I56-L132 HydrophobicContact CB-CD2 4.18Å; I56-L132 HydrophobicContact CG2-CD2 3.72Å; V58-L132 HydrophobicContact CG2-CD1 4.32Å; V58-L132 HydrophobicContact CG2-CD2 3.92Å; V58-L132 HydrophobicContact CG2-CG 3.91Å; L105-L132 HydrophobicContact CD1-CD1 4.3Å; Y116-L132 WeakPolarHBondContact O-CD1 3.46Å; V118-L132 HydrophobicContact CG1-CB 4.36Å; V118-L132 HydrophobicContact CG1-CD2 4.03Å; V128-L132 PolarHBondContact O-N 3.32Å; M129-L132 PolarHBondContact O-N 3.48Å; L132-T136 WeakPolarHBondContact O-CG2 3.29Å; L132-T136 PolarHBondContact O-N 3.17Å; L132-T136 PolarHBondContact O-OG1 2.96Å
133I91.3Very high92.3Very high12 Ų1239.9 Ų39.96%0.06221%0.212CC..Hα-helixtrans-63.3-47.7175.6-71.1166.7000110.7M129 F131 V135 T136 T137 V228 F232 L233M129-I133 HydrophobicContact CG-CD1 4.04Å; M129-I133 WeakPolarHBondContact O-CB 3.18Å; M129-I133 WeakPolarHBondContact O-CD1 3.33Å; M129-I133 VanDerWaalsContact O-CG1 3.26Å; M129-I133 WeakPolarHBondContact O-CG1 3.5Å; M129-I133 PolarHBondContact O-N 3.29Å; F131-I133 VanDerWaalsContact C-N 3.32Å; F131-I133 PolarHBondContact O-N 2.62Å; I133-V135 PolarHBondContact O-N 3.13Å; I133-T136 PolarHBondContact O-N 2.98Å; I133-T136 PolarHBondContact O-OG1 3.46Å; I133-T136 VanDerWaalsContact O-OG1 3.09Å; I133-T137 HydrophobicContact CG2-CG2 4.4Å; I133-T137 WeakPolarHBondContact O-CB 3.43Å; I133-T137 WeakPolarHBondContact O-CG2 3.31Å; I133-T137 PolarHBondContact O-N 3.24Å; I133-T137 PolarHBondContact O-OG1 3.19Å; I133-V228 HydrophobicContact CD1-CG1 3.45Å; I133-V228 VanDerWaalsContact CD1-CG1 3.45Å; I133-V228 HydrophobicContact CG1-CG1 4.37Å; I133-F232 HydrophobicContact CD1-CB 3.59Å; I133-F232 HydrophobicContact CD1-CD2 3.92Å; I133-F232 HydrophobicContact CD1-CG 3.79Å; I133-F232 HydrophobicContact CG1-CB 4.24Å; I133-F232 HydrophobicContact CG2-CB 3.7Å; I133-F232 HydrophobicContact CG2-CG 4.36Å; I133-L233 HydrophobicContact CG1-CD2 4.4Å
134N90.7Very high92.5Very high26 Ų2640 Ų4014%0.13920%0.201CC..Hα-helixtrans-63.1-42.8-176.8-78.7-28.1000112.1T86 E130 F131 T136 A138T86-N134 HydrophobicContact CG2-CB 4.18Å; T86-N134 WeakPolarHBondContact CG2-O 3.08Å; E130-N134 WeakPolarHBondContact O-CB 3.34Å; E130-N134 VanDerWaalsContact O-CG 3.24Å; E130-N134 PolarHBondContact O-N 3.24Å; E130-N134 PolarHBondContact O-ND2 2.96Å; F131-N134 PolarHBondContact O-N 3.46Å; N134-T136 VanDerWaalsContact C-N 3.28Å; N134-T136 PolarHBondContact O-N 2.66Å; N134-A138 CarbonylContact O-C 3.25Å; N134-A138 WeakPolarHBondContact O-CA 3.22Å; N134-A138 PolarHBondContact O-N 3.16Å
135V92.9Very high92.6Very high8 Ų839.1 Ų39.15%0.04820%0.196CC..Hα-helixtrans-64.3-33.8179169.90000111.6S82 T86 I94 L105 Y116 F131 I133S82-V135 WeakPolarHBondContact O-CG1 3.44Å; S82-V135 VanDerWaalsContact O-CG2 3.26Å; S82-V135 WeakPolarHBondContact O-CG2 3.39Å; T86-V135 HydrophobicContact CG2-CG2 4.14Å; I94-V135 HydrophobicContact CD1-CG2 4.13Å; I94-V135 HydrophobicContact CG2-CG2 4.48Å; L105-V135 HydrophobicContact CD2-CG2 4.36Å; Y116-V135 HydrophobicContact CD1-CG1 3.85Å; Y116-V135 HydrophobicContact CE1-CG1 3.89Å; F131-V135 WeakPolarHBondContact O-CB 3.2Å; F131-V135 VanDerWaalsContact O-CG2 3.28Å; F131-V135 WeakPolarHBondContact O-CG2 3.24Å; F131-V135 PolarHBondContact O-N 2.92Å; I133-V135 PolarHBondContact O-N 3.13Å
136T91.4Very high92.9Very high1 Ų138.7 Ų38.71%0.00619%0.194CC..Hα-helixtrans-88.4-34.1-178.153.50000113.7V58 I60 Y116 L132 I133 N134 F208V58-T136 HydrophobicContact CB-CG2 4.1Å; V58-T136 HydrophobicContact CG1-CG2 4.09Å; V58-T136 HydrophobicContact CG2-CG2 4.49Å; I60-T136 HydrophobicContact CD1-CG2 4.39Å; Y116-T136 HydrophobicContact CD1-CG2 3.96Å; Y116-T136 HydrophobicContact CD2-CG2 3.86Å; Y116-T136 HydrophobicContact CE2-CG2 4.45Å; Y116-T136 HydrophobicContact CG-CG2 3.6Å; L132-T136 WeakPolarHBondContact O-CG2 3.29Å; L132-T136 PolarHBondContact O-N 3.17Å; L132-T136 PolarHBondContact O-OG1 2.96Å; I133-T136 PolarHBondContact O-N 2.98Å; I133-T136 PolarHBondContact O-OG1 3.46Å; I133-T136 VanDerWaalsContact O-OG1 3.09Å; N134-T136 VanDerWaalsContact C-N 3.28Å; N134-T136 PolarHBondContact O-N 2.66Å; T136-F208 WeakPolarHBondContact O-CD1 3.2Å
137T89.8Confident93.1Very high18 Ų1836.1 Ų36.111%0.1119%0.185CC..Hα-helixtrans-103.4-27.7-171.562.60000114.5I133 L233I133-T137 HydrophobicContact CG2-CG2 4.4Å; I133-T137 WeakPolarHBondContact O-CB 3.43Å; I133-T137 WeakPolarHBondContact O-CG2 3.31Å; I133-T137 PolarHBondContact O-N 3.24Å; I133-T137 PolarHBondContact O-OG1 3.19Å; T137-L233 HydrophobicContact CG2-CD2 3.5Å
138A90.5Very high93.5Very high19 Ų1938.5 Ų38.516%0.15720%0.196CC..  trans-138.345-170.500000115.1T86 K87 N134T86-A138 CarbonylContact C-O 3.53Å; T86-A138 VanDerWaalsContact CA-O 3.29Å; T86-A138 WeakPolarHBondContact CA-O 3.48Å; T86-A138 WeakPolarHBondContact CB-O 3.41Å; K87-A138 HydrophobicContact CB-CB 4.17Å; K87-A138 HydrophobicContact CD-CB 4.37Å; K87-A138 HydrophobicContact CG-CB 4.29Å; K87-A138 PolarHBondContact N-O 2.97Å; N134-A138 CarbonylContact O-C 3.25Å; N134-A138 WeakPolarHBondContact O-CA 3.22Å; N134-A138 PolarHBondContact O-N 3.16Å
139P94Very high93.7Very high15 Ų1538.7 Ų38.710%0.09720%0.197CC..BIsolated β-bridgetrans-65.6143.417130-35000111.4F141 H201 V204P139-F141 HydrophobicContact CB-CD1 4.27Å; P139-F141 HydrophobicContact CB-CD2 4.26Å; P139-F141 HydrophobicContact CB-CE1 3.75Å; P139-F141 HydrophobicContact CB-CE2 3.75Å; P139-F141 HydrophobicContact CB-CG 4.5Å; P139-F141 HydrophobicContact CB-CZ 3.45Å; P139-F141 VanDerWaalsContact CB-CZ 3.45Å; P139-F141 HydrophobicContact CG-CD2 4.32Å; P139-F141 HydrophobicContact CG-CE1 4.25Å; P139-F141 HydrophobicContact CG-CE2 3.49Å; P139-F141 VanDerWaalsContact CG-CE2 3.49Å; P139-F141 HydrophobicContact CG-CZ 3.44Å; P139-F141 VanDerWaalsContact CG-CZ 3.44Å; P139-H201 PolarHBondContact O-CE1 2.95Å; P139-V204 HydrophobicContact CG-CG1 4.37Å
140E94.8Very high93.8Very high59 Ų5939.4 Ų39.428%0.27620%0.202SC..  trans-95.3-24.4178.6-71.7-166.9165.200114T85 K87 R142 H201T85-E140 PolarHBondContact O-N 3.37Å; K87-E140 HydrophobicContact CG-CG 3.88Å; E140-R142 HydrophobicContact CB-CG 4.38Å; E140-R142 PolarHBondContact O-N 3.34Å; E140-R142 IonicContact OE2-CZ 3.23Å; E140-R142 VanDerWaalsContact OE2-CZ 3.23Å; E140-R142 IonicContact OE2-NE 2.79Å; E140-R142 PolarHBondContact OE2-NE 3.13Å; E140-R142 IonicContact OE2-NH2 2.8Å; E140-R142 PolarHBondContact OE2-NH2 3.33Å; E140-H201 PolarHBondContact O-CE1 2.73Å; E140-H201 PolarHBondContact O-NE2 3.04Å
141F96.6Very high94.1Very high6 Ų639.1 Ų39.13%0.02621%0.208CC..  trans43.759.1-177.2-55.5-53.8000113.2L78 A81 P139 V146 S197 L200 H201 V204L78-F141 HydrophobicContact CD2-CE1 3.75Å; L78-F141 HydrophobicContact CD2-CE2 4.16Å; L78-F141 HydrophobicContact CD2-CZ 3.31Å; A81-F141 HydrophobicContact CB-CD1 4.47Å; A81-F141 HydrophobicContact CB-CE1 4.02Å; P139-F141 HydrophobicContact CB-CD1 4.27Å; P139-F141 HydrophobicContact CB-CD2 4.26Å; P139-F141 HydrophobicContact CB-CE1 3.75Å; P139-F141 HydrophobicContact CB-CE2 3.75Å; P139-F141 HydrophobicContact CB-CG 4.5Å; P139-F141 HydrophobicContact CB-CZ 3.45Å; P139-F141 VanDerWaalsContact CB-CZ 3.45Å; P139-F141 HydrophobicContact CG-CD2 4.32Å; P139-F141 HydrophobicContact CG-CE1 4.25Å; P139-F141 HydrophobicContact CG-CE2 3.49Å; P139-F141 VanDerWaalsContact CG-CE2 3.49Å; P139-F141 HydrophobicContact CG-CZ 3.44Å; P139-F141 VanDerWaalsContact CG-CZ 3.44Å; F141-V146 HydrophobicContact CB-CG2 3.91Å; F141-S197 WeakPolarHBondContact O-CB 3.02Å; F141-S197 PolarHBondContact O-OG 3.17Å; F141-L200 HydrophobicContact CB-CB 4.43Å; F141-L200 HydrophobicContact CB-CD1 4.16Å; F141-L200 HydrophobicContact CD1-CB 4.14Å; F141-L200 HydrophobicContact CD1-CD1 3.7Å; F141-L200 HydrophobicContact CD2-CB 3.51Å; F141-L200 HydrophobicContact CD2-CD1 4.48Å; F141-L200 HydrophobicContact CE1-CB 4.27Å; F141-L200 HydrophobicContact CE1-CD1 4.2Å; F141-L200 HydrophobicContact CE2-CB 3.65Å; F141-L200 HydrophobicContact CG-CB 3.78Å; F141-L200 HydrophobicContact CG-CD1 3.87Å; F141-L200 HydrophobicContact CG-CG 4.49Å; F141-L200 HydrophobicContact CZ-CB 4.04Å; F141-H201 AromaticContact CD2-CD2 3.97Å; F141-H201 AromaticContact CD2-CE1 3.67Å; F141-H201 AromaticContact CD2-CG 3.93Å; F141-H201 AromaticContact CD2-ND1 3.77Å; F141-H201 AromaticContact CD2-NE2 3.81Å; F141-V204 HydrophobicContact CE2-CG2 3.89Å; F141-V204 HydrophobicContact CZ-CG2 4Å
142R96.7Very high94.2Very high85 Ų8544.1 Ų44.132%0.32123%0.226SC..  trans-61.3137.2-179.4-69.4160.6175.2-158.21.1110.5E140 W144 E145 V146E140-R142 HydrophobicContact CB-CG 4.38Å; E140-R142 PolarHBondContact O-N 3.34Å; E140-R142 IonicContact OE2-CZ 3.23Å; E140-R142 VanDerWaalsContact OE2-CZ 3.23Å; E140-R142 IonicContact OE2-NE 2.79Å; E140-R142 PolarHBondContact OE2-NE 3.13Å; E140-R142 IonicContact OE2-NH2 2.8Å; E140-R142 PolarHBondContact OE2-NH2 3.33Å; R142-W144 VanDerWaalsContact C-N 3.27Å; R142-W144 HydrophobicContact CB-CD2 4.02Å; R142-W144 HydrophobicContact CB-CE3 4.36Å; R142-W144 HydrophobicContact CB-CH2 4.11Å; R142-W144 HydrophobicContact CB-CZ2 3.76Å; R142-W144 HydrophobicContact CB-CZ3 4.39Å; R142-W144 HydrophobicContact CG-CH2 4.13Å; R142-W144 HydrophobicContact CG-CZ2 3.83Å; R142-W144 PolarHBondContact O-N 2.89Å; R142-W144 VanDerWaalsContact O-N 3.13Å; R142-E145 HydrophobicContact CB-CB 4.31Å; R142-E145 HydrophobicContact CB-CG 4.11Å; R142-E145 PolarHBondContact O-N 3.4Å; R142-V146 WeakPolarHBondContact O-CG2 3.29Å; R142-V146 PolarHBondContact O-N 2.91Å
143P96.8Very high94.4Very high87 Ų8744 Ų4457%0.56523%0.226SC*.Hα-helixtrans-53.8-39.4-172.7-30.336000114.8V146 S147 S197P143-V146 PolarHBondContact O-N 3.45Å; P143-S147 PolarHBondContact O-N 2.85Å; P143-S147 PolarHBondContact O-OG 3.4Å; P143-S197 WeakPolarHBondContact CA-OG 3.28Å
144W95.8Very high94.6Very high154 Ų15448.1 Ų48.158%0.58324%0.243SC*.Hα-helixtrans-70-37.8177.65787.8000113R142 V146 S147 D148R142-W144 VanDerWaalsContact C-N 3.27Å; R142-W144 HydrophobicContact CB-CD2 4.02Å; R142-W144 HydrophobicContact CB-CE3 4.36Å; R142-W144 HydrophobicContact CB-CH2 4.11Å; R142-W144 HydrophobicContact CB-CZ2 3.76Å; R142-W144 HydrophobicContact CB-CZ3 4.39Å; R142-W144 HydrophobicContact CG-CH2 4.13Å; R142-W144 HydrophobicContact CG-CZ2 3.83Å; R142-W144 PolarHBondContact O-N 2.89Å; R142-W144 VanDerWaalsContact O-N 3.13Å; W144-V146 VanDerWaalsContact C-N 3.33Å; W144-S147 WeakPolarHBondContact CA-OG 3.44Å; W144-S147 PolarHBondContact O-N 3.22Å; W144-S147 PolarHBondContact O-OG 2.97Å; W144-D148 PolarHBondContact O-N 2.91Å; W144-D148 VanDerWaalsContact O-N 3.13Å
145E96.4Very high94.9Very high25 Ų2551.5 Ų51.512%0.11726%0.261CS..Hα-helixtrans-67.3-37.1175.4-68.1-176150.400111.4L84 T85 R142 D148L84-E145 HydrophobicContact CD1-CB 4.02Å; L84-E145 HydrophobicContact CD2-CB 4.03Å; T85-E145 WeakPolarHBondContact CB-OE1 3.05Å; T85-E145 WeakPolarHBondContact CB-OE2 3.33Å; T85-E145 PolarHBondContact N-OE2 2.94Å; T85-E145 PolarHBondContact OG1-OE1 3.27Å; R142-E145 HydrophobicContact CB-CB 4.31Å; R142-E145 HydrophobicContact CB-CG 4.11Å; R142-E145 PolarHBondContact O-N 3.4Å; E145-D148 PolarHBondContact O-N 3.12Å
146V96Very high95Very high5 Ų552.8 Ų52.83%0.0327%0.267CS..Hα-helixtrans-69.3-43.2177.5175.90000110.9L77 F141 R142 P143 W144 D148 L149 L200L77-V146 HydrophobicContact CD2-CG1 4.14Å; F141-V146 HydrophobicContact CB-CG2 3.91Å; R142-V146 WeakPolarHBondContact O-CG2 3.29Å; R142-V146 PolarHBondContact O-N 2.91Å; P143-V146 PolarHBondContact O-N 3.45Å; W144-V146 VanDerWaalsContact C-N 3.33Å; V146-D148 PolarHBondContact O-N 2.97Å; V146-L149 WeakPolarHBondContact O-CB 3.35Å; V146-L149 PolarHBondContact O-N 3.48Å; V146-L149 VanDerWaalsContact O-N 3.08Å; V146-L200 HydrophobicContact CG1-CD1 3.98Å; V146-L200 HydrophobicContact CG2-CD1 3.74Å
147S95Very high95.1Very high64 Ų6454.2 Ų54.245%0.44827%0.273SS..Hα-helixtrans-62.3-32.1176.156.80000112.8P143 W144 L149 T150P143-S147 PolarHBondContact O-N 2.85Å; P143-S147 PolarHBondContact O-OG 3.4Å; W144-S147 WeakPolarHBondContact CA-OG 3.44Å; W144-S147 PolarHBondContact O-N 3.22Å; W144-S147 PolarHBondContact O-OG 2.97Å; S147-L149 PolarHBondContact O-N 3.08Å; S147-T150 WeakPolarHBondContact O-CB 3.26Å; S147-T150 PolarHBondContact O-N 3.28Å; S147-T150 PolarHBondContact O-OG1 3.48Å
148D95.4Very high95.4Very high113 Ų11355.7 Ų55.760%0.60429%0.288SS*.THydrogen-bonded Turntrans-69.9-14.1177.3-71.2-10.9000113W144 E145 V146 P151W144-D148 PolarHBondContact O-N 2.91Å; W144-D148 VanDerWaalsContact O-N 3.13Å; E145-D148 PolarHBondContact O-N 3.12Å; V146-D148 PolarHBondContact O-N 2.97Å; D148-P151 WeakPolarHBondContact O-CD 3.24Å
149L95.7Very high95.6Very high5 Ų560.1 Ų60.13%0.02631%0.305CS..THydrogen-bonded Turntrans-79.5-22.1173.9-62.5-176.5000113.2L80 A81 L84 V146 S147 R152 V153L80-L149 HydrophobicContact CB-CD1 4.45Å; L80-L149 HydrophobicContact CB-CD2 4.4Å; A81-L149 HydrophobicContact CB-CD1 3.84Å; L84-L149 HydrophobicContact CD1-CD1 3.94Å; L84-L149 HydrophobicContact CD1-CG 4.49Å; L84-L149 HydrophobicContact CD2-CD2 4.46Å; V146-L149 WeakPolarHBondContact O-CB 3.35Å; V146-L149 PolarHBondContact O-N 3.48Å; V146-L149 VanDerWaalsContact O-N 3.08Å; S147-L149 PolarHBondContact O-N 3.08Å; L149-R152 VanDerWaalsContact CD2-NH1 3.33Å; L149-R152 WeakPolarHBondContact O-CA 3.46Å; L149-R152 WeakPolarHBondContact O-CB 3.46Å; L149-R152 PolarHBondContact O-N 3.49Å; L149-V153 WeakPolarHBondContact O-CG2 3.32Å; L149-V153 PolarHBondContact O-N 3.36Å
150T94.3Very high95.6Very high24 Ų2460 Ų6015%0.14731%0.306CS..Hα-helixtrans-55.1-44.5-175.6-63.70000113.4S147 R152 V153 K154 V192 D193S147-T150 WeakPolarHBondContact O-CB 3.26Å; S147-T150 PolarHBondContact O-N 3.28Å; S147-T150 PolarHBondContact O-OG1 3.48Å; T150-R152 VanDerWaalsContact C-N 3.3Å; T150-R152 PolarHBondContact O-N 3.32Å; T150-V153 PolarHBondContact O-N 2.97Å; T150-K154 HydrophobicContact CG2-CD 4.32Å; T150-K154 WeakPolarHBondContact O-CG 3.28Å; T150-K154 PolarHBondContact O-N 2.89Å; T150-V192 HydrophobicContact CG2-CG1 4.06Å; T150-D193 WeakPolarHBondContact CG2-OD1 3.35Å
151P95.9Very high95.4Very high85 Ų8561.2 Ų61.255%0.55233%0.326SS*.Hα-helixtrans-61-36.3174.1-23.835.2000113.4D148 K154 L155D148-P151 WeakPolarHBondContact O-CD 3.24Å; P151-K154 PolarHBondContact O-N 2.81Å; P151-L155 PolarHBondContact O-N 2.84Å
152R95.4Very high95.2Very high112 Ų11268.6 Ų68.642%0.42336%0.36SS..Hα-helixtrans-66.8-41.8177.4-63.3175.664.3-160-1.4111L80 L149 T150 K154 L155 D156L80-R152 HydrophobicContact CD1-CB 4.16Å; L80-R152 PolarHBondContact O-NH1 2.99Å; L149-R152 VanDerWaalsContact CD2-NH1 3.33Å; L149-R152 WeakPolarHBondContact O-CA 3.46Å; L149-R152 WeakPolarHBondContact O-CB 3.46Å; L149-R152 PolarHBondContact O-N 3.49Å; T150-R152 VanDerWaalsContact C-N 3.3Å; T150-R152 PolarHBondContact O-N 3.32Å; R152-K154 VanDerWaalsContact C-N 3.33Å; R152-K154 PolarHBondContact O-N 2.8Å; R152-L155 WeakPolarHBondContact O-CB 3.38Å; R152-L155 PolarHBondContact O-N 2.84Å; R152-D156 PolarHBondContact O-N 3.36Å
153V96.1Very high95Very high0 Ų068.2 Ų68.20%037%0.365CS..Hα-helixtrans-61.1-43.5175.1175.60000111L77 L80 L149 T150 L155 K157 C187 V192L77-V153 HydrophobicContact CD1-CB 4.45Å; L77-V153 HydrophobicContact CD1-CG1 4.33Å; L77-V153 HydrophobicContact CD1-CG2 3.38Å; L77-V153 HydrophobicContact CG-CG2 4.05Å; L80-V153 HydrophobicContact CD1-CB 4.47Å; L80-V153 HydrophobicContact CD1-CG2 3.58Å; L149-V153 WeakPolarHBondContact O-CG2 3.32Å; L149-V153 PolarHBondContact O-N 3.36Å; T150-V153 PolarHBondContact O-N 2.97Å; V153-L155 VanDerWaalsContact C-N 3.32Å; V153-L155 PolarHBondContact O-N 3.02Å; V153-K157 HydrophobicContact CG1-CD 4.09Å; V153-K157 WeakPolarHBondContact O-CB 3.25Å; V153-K157 VanDerWaalsContact O-CG 3.24Å; V153-K157 WeakPolarHBondContact O-CG 3.47Å; V153-K157 PolarHBondContact O-N 3.49Å; V153-C187 HydrophobicContact CG1-CB 4.18Å; V153-V192 HydrophobicContact CG1-CG1 4.24Å
154K96.3Very high94.8Very high99 Ų9966.3 Ų66.343%0.4335%0.352SS..Hα-helixtrans-62-40.7176.1-71176.4-177.61750111.2T150 P151 R152 A158 V192 D193T150-K154 HydrophobicContact CG2-CD 4.32Å; T150-K154 WeakPolarHBondContact O-CG 3.28Å; T150-K154 PolarHBondContact O-N 2.89Å; P151-K154 PolarHBondContact O-N 2.81Å; R152-K154 VanDerWaalsContact C-N 3.33Å; R152-K154 PolarHBondContact O-N 2.8Å; K154-A158 WeakPolarHBondContact O-CB 3.43Å; K154-A158 PolarHBondContact O-N 3.39Å; K154-V192 HydrophobicContact CD-CG1 4.31Å; K154-V192 VanDerWaalsContact CE-CG1 3.45Å; K154-V192 HydrophobicContact CG-CG1 3.79Å; K154-D193 WeakPolarHBondContact CE-OD1 3.4Å; K154-D193 IonicContact NZ-OD1 3.28Å; K154-D193 PolarHBondContact NZ-OD1 2.93Å; K154-D193 IonicContact NZ-OD2 3.8Å; K154-D193 PolarHBondContact NZ-OD2 3.12Å
155L96.4Very high94.7Very high97 Ų9763.7 Ų63.751%0.50835%0.346SS..Hα-helixtrans-65.2-51.2176.3-178.863.5000112.3P151 R152 V153 K157 A158 Q159P151-L155 PolarHBondContact O-N 2.84Å; R152-L155 WeakPolarHBondContact O-CB 3.38Å; R152-L155 PolarHBondContact O-N 2.84Å; V153-L155 VanDerWaalsContact C-N 3.32Å; V153-L155 PolarHBondContact O-N 3.02Å; L155-K157 PolarHBondContact O-N 2.87Å; L155-A158 WeakPolarHBondContact O-CB 3.46Å; L155-A158 PolarHBondContact O-N 3.25Å; L155-A158 VanDerWaalsContact O-N 3.08Å; L155-Q159 WeakPolarHBondContact O-CG 3.45Å; L155-Q159 PolarHBondContact O-N 2.93Å
156D95.1Very high94.6Very high35 Ų3564.3 Ų64.319%0.18735%0.351CS..Hα-helixtrans-55.4-43.1178-84.525000111H76 R79 R152 Q159 A160H76-D156 IonicContact NE2-OD2 2.85Å; H76-D156 PolarHBondContact NE2-OD2 2.93Å; R79-D156 IonicContact NH2-OD2 2.81Å; R152-D156 PolarHBondContact O-N 3.36Å; D156-Q159 PolarHBondContact O-N 2.95Å; D156-A160 WeakPolarHBondContact O-CB 3.32Å; D156-A160 PolarHBondContact O-N 3.36Å
157K94.9Very high94.5Very high31 Ų3165.5 Ų65.514%0.13536%0.364CS..Hα-helixtrans-65.4-42.6176.1-73.8176.661.6167.50112.8V153 L155 Q159 A160 A161 Y186 C187 D189 V192V153-K157 HydrophobicContact CG1-CD 4.09Å; V153-K157 WeakPolarHBondContact O-CB 3.25Å; V153-K157 VanDerWaalsContact O-CG 3.24Å; V153-K157 WeakPolarHBondContact O-CG 3.47Å; V153-K157 PolarHBondContact O-N 3.49Å; L155-K157 PolarHBondContact O-N 2.87Å; K157-Q159 VanDerWaalsContact C-N 3.3Å; K157-Q159 PolarHBondContact O-N 3.25Å; K157-A160 PolarHBondContact O-N 3.36Å; K157-A161 WeakPolarHBondContact O-CB 3.48Å; K157-A161 PolarHBondContact O-N 3.4Å; K157-Y186 HydrophobicContact CG-CD1 4.43Å; K157-C187 WeakPolarHBondContact CD-O 3.37Å; K157-C187 WeakPolarHBondContact CE-O 3.39Å; K157-C187 PolarHBondContact NZ-O 3.34Å; K157-D189 WeakPolarHBondContact CE-OD1 3.41Å; K157-D189 IonicContact NZ-OD1 2.86Å; K157-D189 PolarHBondContact NZ-OD1 2.76Å; K157-V192 HydrophobicContact CD-CG2 4.03Å
158A95.3Very high94.6Very high50 Ų5062.5 Ų62.541%0.41334%0.343SS..Hα-helixtrans-62.6-39.8177.300000111.3K154 L155 A161 Q162K154-A158 WeakPolarHBondContact O-CB 3.43Å; K154-A158 PolarHBondContact O-N 3.39Å; L155-A158 WeakPolarHBondContact O-CB 3.46Å; L155-A158 PolarHBondContact O-N 3.25Å; L155-A158 VanDerWaalsContact O-N 3.08Å; A158-A161 PolarHBondContact O-N 2.95Å; A158-Q162 WeakPolarHBondContact O-CG 3.25Å; A158-Q162 PolarHBondContact O-N 3.39Å
159Q94.5Very high94.6Very high111 Ų11159.1 Ų59.152%0.51933%0.326SS..Hα-helixtrans-65.4-44.3173.6-69.8176.2-16.600111.7L155 D156 K157 A161 Q162L155-Q159 WeakPolarHBondContact O-CG 3.45Å; L155-Q159 PolarHBondContact O-N 2.93Å; D156-Q159 PolarHBondContact O-N 2.95Å; K157-Q159 VanDerWaalsContact C-N 3.3Å; K157-Q159 PolarHBondContact O-N 3.25Å; Q159-A161 VanDerWaalsContact C-N 3.3Å; Q159-A161 PolarHBondContact O-N 3.39Å; Q159-Q162 WeakPolarHBondContact O-CB 3.17Å; Q159-Q162 PolarHBondContact O-N 3Å; Q159-Q162 VanDerWaalsContact O-N 3.15Å
160A93.4Very high94.6Very high14 Ų1459.7 Ų59.712%0.11633%0.329CS..Hα-helixtrans-59.4-40.7175.600000112.3D156 K157 Q162 N163 L166 Y186D156-A160 WeakPolarHBondContact O-CB 3.32Å; D156-A160 PolarHBondContact O-N 3.36Å; K157-A160 PolarHBondContact O-N 3.36Å; A160-Q162 PolarHBondContact O-N 3.11Å; A160-N163 PolarHBondContact O-N 3.49Å; A160-L166 HydrophobicContact CB-CD2 3.52Å; A160-Y186 HydrophobicContact CB-CD1 4.11Å; A160-Y186 HydrophobicContact CB-CE1 3.65Å; A160-Y186 HydrophobicContact CB-CE2 4.12Å
161A91.3Very high94.7Very high84 Ų8459.2 Ų59.269%0.69433%0.327SS*.Hα-helixtrans-65.2-22.8178.500000113.5K157 A158 Q159 N163K157-A161 WeakPolarHBondContact O-CB 3.48Å; K157-A161 PolarHBondContact O-N 3.4Å; A158-A161 PolarHBondContact O-N 2.95Å; Q159-A161 VanDerWaalsContact C-N 3.3Å; Q159-A161 PolarHBondContact O-N 3.39Å; A161-N163 PolarHBondContact O-N 2.71Å
162Q92.1Very high94.8Very high160 Ų16055.2 Ų55.275%0.74830%0.301SS*.THydrogen-bonded Turntrans-75.7-10.4174.2-67.4175.97.900113.1A158 Q159 A160 P164A158-Q162 WeakPolarHBondContact O-CG 3.25Å; A158-Q162 PolarHBondContact O-N 3.39Å; Q159-Q162 WeakPolarHBondContact O-CB 3.17Å; Q159-Q162 PolarHBondContact O-N 3Å; Q159-Q162 VanDerWaalsContact O-N 3.15Å; A160-Q162 PolarHBondContact O-N 3.11Å; Q162-P164 WeakPolarHBondContact O-CD 3.26Å
163N93.3Very high94.9Very high77 Ų7750.2 Ų50.241%0.41228%0.283SS..  trans-105.2102178.2-172.4-24.7000111A160 A161 Q165 L166 G167A160-N163 PolarHBondContact O-N 3.49Å; A161-N163 PolarHBondContact O-N 2.71Å; N163-Q165 VanDerWaalsContact C-N 3.25Å; N163-Q165 PolarHBondContact O-N 3.34Å; N163-Q165 WeakPolarHBondContact OD1-CB 3.41Å; N163-Q165 PolarHBondContact OD1-N 3.26Å; N163-L166 HydrophobicContact CB-CB 4.08Å; N163-L166 PolarHBondContact O-N 3.39Å; N163-L166 PolarHBondContact OD1-N 3.38Å; N163-G167 PolarHBondContact O-N 2.82Å
164P93Very high94.9Very high47 Ų4752.4 Ų52.431%0.30530%0.301SS..Hα-helixtrans-61.3-31.6-179.5-23.634.2000113.7Q162 G167 V168Q162-P164 WeakPolarHBondContact O-CD 3.26Å; P164-G167 PolarHBondContact O-N 3.13Å; P164-V168 WeakPolarHBondContact O-CG2 3.44Å; P164-V168 PolarHBondContact O-N 2.88Å
165Q93.1Very high94.9Very high99 Ų9947.8 Ų47.846%0.46328%0.281SS..Hα-helixtrans-64.4-44179-179.5176.5-15.900111N163 V168 V169 Y334N163-Q165 VanDerWaalsContact C-N 3.25Å; N163-Q165 PolarHBondContact O-N 3.34Å; N163-Q165 WeakPolarHBondContact OD1-CB 3.41Å; N163-Q165 PolarHBondContact OD1-N 3.26Å; Q165-V168 PolarHBondContact O-N 3.45Å; Q165-V169 WeakPolarHBondContact O-CG2 3.42Å; Q165-V169 PolarHBondContact O-N 3.34Å; Q165-Y334 VanDerWaalsContact CA-OH 3.26Å; Q165-Y334 WeakPolarHBondContact CA-OH 3.44Å; Q165-Y334 VanDerWaalsContact CB-OH 3.3Å; Q165-Y334 WeakPolarHBondContact CB-OH 3.32Å; Q165-Y334 HydrophobicContact CG-CE1 4.12Å; Q165-Y334 HydrophobicContact CG-CE2 4.29Å
166L94.3Very high95Very high39 Ų3943.1 Ų43.120%0.20426%0.256CS..Hα-helixtrans-63.1-46.2176-176.263.1000111.4A160 N163 V168 V169 E170 Y186A160-L166 HydrophobicContact CB-CD2 3.52Å; N163-L166 HydrophobicContact CB-CB 4.08Å; N163-L166 PolarHBondContact O-N 3.39Å; N163-L166 PolarHBondContact OD1-N 3.38Å; L166-V168 VanDerWaalsContact C-N 3.31Å; L166-V168 PolarHBondContact O-N 2.85Å; L166-V169 PolarHBondContact O-N 3.32Å; L166-E170 HydrophobicContact CD1-CG 4.3Å; L166-E170 WeakPolarHBondContact O-CG 3.45Å; L166-E170 PolarHBondContact O-N 3.41Å; L166-Y186 HydrophobicContact CD1-CE2 4.03Å; L166-Y186 HydrophobicContact CD2-CE2 3.62Å; L166-Y186 VanDerWaalsContact CD2-OH 3.31Å; L166-Y186 WeakPolarHBondContact CD2-OH 3.4Å; L166-Y186 HydrophobicContact CG-CE2 4.04Å
167G94.5Very high95.1Very high30 Ų3041.6 Ų41.631%0.30925%0.248SC..Hα-helixtrans-57.8-42176.400000112.9N163 P164 A171N163-G167 PolarHBondContact O-N 2.82Å; P164-G167 PolarHBondContact O-N 3.13Å; G167-A171 VanDerWaalsContact O-CB 3.23Å; G167-A171 WeakPolarHBondContact O-CB 3.46Å; G167-A171 PolarHBondContact O-N 3.16Å
168V96.4Very high95.1Very high0 Ų047.1 Ų47.10%027%0.272CS..Hα-helixtrans-65.1-45.4175.41700000111.4P164 Q165 L166 A171 L172 H263 A265 Y334 A434P164-V168 WeakPolarHBondContact O-CG2 3.44Å; P164-V168 PolarHBondContact O-N 2.88Å; Q165-V168 PolarHBondContact O-N 3.45Å; L166-V168 VanDerWaalsContact C-N 3.31Å; L166-V168 PolarHBondContact O-N 2.85Å; V168-A171 PolarHBondContact O-N 3.24Å; V168-L172 WeakPolarHBondContact O-CB 3.29Å; V168-L172 PolarHBondContact O-N 3.47Å; V168-H263 HydrophobicContact CG2-CB 3.9Å; V168-A265 HydrophobicContact CG1-CB 3.67Å; V168-Y334 HydrophobicContact CB-CE2 4.31Å; V168-Y334 HydrophobicContact CG1-CD2 4.48Å; V168-Y334 HydrophobicContact CG1-CE2 3.94Å; V168-A434 HydrophobicContact CG1-CB 3.95Å; V168-A434 WeakPolarHBondContact CG1-O 3.42Å; V168-A434 WeakPolarHBondContact O-CB 3.21Å
169V95.6Very high95Very high42 Ų4246.9 Ų46.926%0.25526%0.264SS..Hα-helixtrans-65.1-40.9-179.7171.50000111.8Q165 L166 L172 H173Q165-V169 WeakPolarHBondContact O-CG2 3.42Å; Q165-V169 PolarHBondContact O-N 3.34Å; L166-V169 PolarHBondContact O-N 3.32Å; V169-L172 WeakPolarHBondContact O-CB 3.47Å; V169-L172 PolarHBondContact O-N 3.03Å; V169-H173 PolarHBondContact O-N 3.36Å; V169-H173 VanDerWaalsContact O-N 3.15Å; V169-H173 PolarHBondContact O-ND1 3.04Å
170E96.3Very high94.9Very high18 Ų1842 Ų428%0.08424%0.242CC..Hα-helixtrans-67.3-45.6177.2-68.9-60.3110.900111.5R111 L166 L172 H173 A174 S184 L185 Y186R111-E170 IonicContact CZ-OE1 3.15Å; R111-E170 VanDerWaalsContact CZ-OE1 3.29Å; R111-E170 IonicContact CZ-OE2 2.73Å; R111-E170 IonicContact NH1-OE1 2.71Å; R111-E170 PolarHBondContact NH1-OE1 3.37Å; R111-E170 IonicContact NH2-OE1 3.9Å; R111-E170 PolarHBondContact NH2-OE1 3.22Å; R111-E170 IonicContact NH2-OE2 2.76Å; R111-E170 PolarHBondContact NH2-OE2 3.35Å; L166-E170 HydrophobicContact CD1-CG 4.3Å; L166-E170 WeakPolarHBondContact O-CG 3.45Å; L166-E170 PolarHBondContact O-N 3.41Å; E170-L172 VanDerWaalsContact C-N 3.28Å; E170-L172 PolarHBondContact O-N 2.96Å; E170-H173 PolarHBondContact O-N 3.35Å; E170-A174 PolarHBondContact O-N 2.97Å; E170-A174 VanDerWaalsContact O-N 3.14Å; E170-S184 WeakPolarHBondContact OE2-CA 3.33Å; E170-S184 WeakPolarHBondContact OE2-CB 3.36Å; E170-S184 PolarHBondContact OE2-OG 3.4Å; E170-L185 PolarHBondContact OE2-N 2.94Å; E170-Y186 HydrophobicContact CG-CD2 4.43Å
171A96.3Very high95Very high14 Ų1441.3 Ų41.312%0.11624%0.237CC..Hα-helixtrans-61.5-37.3174.800000112.5G167 V168 A174 A175 V253 L255 A434G167-A171 VanDerWaalsContact O-CB 3.23Å; G167-A171 WeakPolarHBondContact O-CB 3.46Å; G167-A171 PolarHBondContact O-N 3.16Å; V168-A171 PolarHBondContact O-N 3.24Å; A171-A174 PolarHBondContact O-N 2.96Å; A171-A175 PolarHBondContact O-N 2.92Å; A171-V253 HydrophobicContact CB-CB 4.35Å; A171-V253 HydrophobicContact CB-CG1 3.91Å; A171-L255 HydrophobicContact CB-CD1 3.95Å; A171-A434 HydrophobicContact CB-CB 4.28Å
172L97.1Very high95.1Very high1 Ų138.6 Ų38.61%0.00521%0.213CC..Hα-helixtrans-61.1-45.3176.8-173.373.9000111.7V168 V169 E170 A175 A176 A265 V267 F321 T432 A434V168-L172 WeakPolarHBondContact O-CB 3.29Å; V168-L172 PolarHBondContact O-N 3.47Å; V169-L172 WeakPolarHBondContact O-CB 3.47Å; V169-L172 PolarHBondContact O-N 3.03Å; E170-L172 VanDerWaalsContact C-N 3.28Å; E170-L172 PolarHBondContact O-N 2.96Å; L172-A175 PolarHBondContact O-N 2.98Å; L172-A176 WeakPolarHBondContact O-CB 3.46Å; L172-A176 PolarHBondContact O-N 2.93Å; L172-A265 HydrophobicContact CD1-CB 4.04Å; L172-A265 HydrophobicContact CD2-CB 3.87Å; L172-A265 HydrophobicContact CG-CB 4.49Å; L172-V267 HydrophobicContact CD1-CG1 4.46Å; L172-V267 HydrophobicContact CD1-CG2 3.79Å; L172-V267 HydrophobicContact CD2-CG1 3.7Å; L172-V267 HydrophobicContact CD2-CG2 4.03Å; L172-V267 HydrophobicContact CG-CG2 3.98Å; L172-F321 HydrophobicContact CD2-CE2 4.43Å; L172-F321 HydrophobicContact CD2-CZ 3.92Å; L172-T432 HydrophobicContact CD1-CG2 4.01Å; L172-A434 HydrophobicContact CB-CB 3.81Å; L172-A434 HydrophobicContact CD1-CB 3.87Å; L172-A434 HydrophobicContact CG-CB 4.49Å
173H97.3Very high95.3Very high7 Ų731.8 Ų31.83%0.03218%0.181CC..Hα-helixtrans-64.9-42.2177.7-77.985.8000111.9R111 V169 E170 A175 A176 Y177 Y325R111-H173 PolarHBondContact NE-CD2 2.98Å; V169-H173 PolarHBondContact O-N 3.36Å; V169-H173 VanDerWaalsContact O-N 3.15Å; V169-H173 PolarHBondContact O-ND1 3.04Å; E170-H173 PolarHBondContact O-N 3.35Å; H173-A175 VanDerWaalsContact C-N 3.3Å; H173-A175 PolarHBondContact O-N 3.49Å; H173-A176 PolarHBondContact O-N 3.41Å; H173-Y177 PolarHBondContact O-N 3.06Å; H173-Y177 VanDerWaalsContact O-N 3.13Å; H173-Y325 AromaticContact NE2-CE2 3.91Å; H173-Y325 AromaticContact NE2-CZ 3.67Å; H173-Y325 PolarHBondContact NE2-OH 3.18Å
174A96.3Very high95.4Very high46 Ų4630.2 Ų30.238%0.3818%0.176SC..Hα-helixtrans-62.9-35176.300000112.8E170 A171 R249E170-A174 PolarHBondContact O-N 2.97Å; E170-A174 VanDerWaalsContact O-N 3.14Å; A171-A174 PolarHBondContact O-N 2.96Å; A174-R249 PolarHBondContact O-NH2 3Å; A174-R249 VanDerWaalsContact O-NH2 3.13Å
175A97.1Very high95.5Very high1 Ų129.4 Ų29.41%0.00817%0.169CC..Hα-helixtrans-75.1-43.7172.100000112.5A171 L172 H173 Y177 R249 G250 V253 T432A171-A175 PolarHBondContact O-N 2.92Å; L172-A175 PolarHBondContact O-N 2.98Å; H173-A175 VanDerWaalsContact C-N 3.3Å; H173-A175 PolarHBondContact O-N 3.49Å; A175-Y177 PolarHBondContact O-N 2.8Å; A175-R249 WeakPolarHBondContact O-CG 3.26Å; A175-R249 PolarHBondContact O-NE 2.73Å; A175-G250 VanDerWaalsContact O-O 3.12Å; A175-V253 HydrophobicContact CB-CG2 3.67Å; A175-T432 HydrophobicContact CB-CG2 3.63Å
176A97.3Very high95.7Very high0 Ų027.2 Ų27.20%016%0.157CC..Hα-helixtrans-64.2-40.7-172.600000113.2L172 H173 Y248 R249 G250 L330 T432L172-A176 WeakPolarHBondContact O-CB 3.46Å; L172-A176 PolarHBondContact O-N 2.93Å; H173-A176 PolarHBondContact O-N 3.41Å; A176-Y248 HydrophobicContact CB-CD2 4.08Å; A176-Y248 HydrophobicContact CB-CE2 3.75Å; A176-Y248 CarbonylContact O-C 3.56Å; A176-Y248 WeakPolarHBondContact O-CA 3.23Å; A176-Y248 WeakPolarHBondContact O-CD2 3.24Å; A176-R249 WeakPolarHBondContact O-CG 3.37Å; A176-R249 PolarHBondContact O-N 2.84Å; A176-G250 PolarHBondContact O-N 3.21Å; A176-L330 HydrophobicContact CB-CD1 4.43Å; A176-L330 HydrophobicContact CB-CD2 4.13Å; A176-T432 WeakPolarHBondContact CA-OG1 3.42Å; A176-T432 HydrophobicContact CB-CG2 3.93Å
177Y97.4Very high95.8Very high2 Ų225.4 Ų25.41%0.00815%0.148CC..BIsolated β-bridgetrans-112.9151-172.2-68-78.1000112.8H173 A175 L181 C182 A246 L247 Y248 S328 G329 L330H173-Y177 PolarHBondContact O-N 3.06Å; H173-Y177 VanDerWaalsContact O-N 3.13Å; A175-Y177 PolarHBondContact O-N 2.8Å; Y177-L181 HydrophobicContact CD1-CB 4.28Å; Y177-L181 HydrophobicContact CD1-CD1 4.36Å; Y177-L181 HydrophobicContact CD2-CB 3.58Å; Y177-L181 HydrophobicContact CD2-CD1 4.36Å; Y177-L181 HydrophobicContact CE1-CD1 3.88Å; Y177-L181 HydrophobicContact CE2-CB 3.87Å; Y177-L181 HydrophobicContact CE2-CD1 3.85Å; Y177-L181 HydrophobicContact CG-CB 3.8Å; Y177-C182 WeakPolarHBondContact O-CB 3.39Å; Y177-A246 HydrophobicContact CD1-CB 4.04Å; Y177-A246 HydrophobicContact CE1-CB 3.94Å; Y177-L247 WeakPolarHBondContact CA-O 3.38Å; Y177-Y248 HydrophobicContact CE1-CD2 4.16Å; Y177-S328 PolarHBondContact OH-OG 2.84Å; Y177-G329 PolarHBondContact OH-O 2.64Å; Y177-L330 HydrophobicContact CE2-CD1 4Å; Y177-L330 HydrophobicContact CE2-CD2 3.87Å; Y177-L330 HydrophobicContact CE2-CG 3.93Å
178K94.7Very high95.8Very high148 Ų14825.6 Ų25.664%0.64314%0.143SC*.SBendtrans-86.9-28173.5-65.5-176.8174.2-177.90113.4L247 R249K178-L247 HydrophobicContact CB-CB 4.33Å; K178-L247 PolarHBondContact N-O 2.81Å; K178-R249 HydrophobicContact CD-CB 4.22Å; K178-R249 HydrophobicContact CG-CB 3.7Å; K178-R249 HydrophobicContact CG-CG 3.74Å
179N93.8Very high95.6Very high44 Ų4432 Ų3224%0.23518%0.178CC..SBendtrans-151.5171.2-171.868-30.8000109.9L181 C182 K245 L247N179-L181 PolarHBondContact O-N 3.28Å; N179-C182 VanDerWaalsContact C-SG 3.51Å; N179-C182 WeakPolarHBondContact CA-SG 3.45Å; N179-K245 PolarHBondContact ND2-O 3.47Å; N179-K245 PolarHBondContact OD1-O 2.86Å; N179-L247 WeakPolarHBondContact OD1-CB 3.2Å; N179-L247 PolarHBondContact OD1-N 2.86Å
180A92.1Very high95.6Very high8 Ų835.7 Ų35.77%0.06619%0.192CC..SBendtrans59.3-89.2173.700000112.4R65 C182 N183R65-A180 HydrophobicContact CG-CB 3.93Å; A180-C182 PolarHBondContact O-N 3.03Å; A180-C182 VanDerWaalsContact O-N 3.14Å; A180-N183 PolarHBondContact O-N 3.3Å
181L95.3Very high95.5Very high0 Ų035.7 Ų35.70%019%0.192CC..THydrogen-bonded Turntrans-69.4-8.3-177.4-62.2176.6000114.4R111 E112 Y177 N179 N183 A246 Y325R111-L181 HydrophobicContact CB-CD2 4.25Å; R111-L181 PolarHBondContact NE-O 3.2Å; E112-L181 HydrophobicContact CG-CD2 4.36Å; Y177-L181 HydrophobicContact CD1-CB 4.28Å; Y177-L181 HydrophobicContact CD1-CD1 4.36Å; Y177-L181 HydrophobicContact CD2-CB 3.58Å; Y177-L181 HydrophobicContact CD2-CD1 4.36Å; Y177-L181 HydrophobicContact CE1-CD1 3.88Å; Y177-L181 HydrophobicContact CE2-CB 3.87Å; Y177-L181 HydrophobicContact CE2-CD1 3.85Å; Y177-L181 HydrophobicContact CG-CB 3.8Å; N179-L181 PolarHBondContact O-N 3.28Å; L181-N183 VanDerWaalsContact C-N 3.32Å; L181-A246 HydrophobicContact CD1-CB 3.6Å; L181-A246 HydrophobicContact CG-CB 3.94Å; L181-Y325 HydrophobicContact CD1-CD2 3.42Å; L181-Y325 VanDerWaalsContact CD1-CD2 3.42Å; L181-Y325 HydrophobicContact CD1-CE2 4Å; L181-Y325 HydrophobicContact CD1-CG 3.73Å; L181-Y325 HydrophobicContact CD2-CD1 3.84Å; L181-Y325 HydrophobicContact CD2-CD2 4.15Å; L181-Y325 HydrophobicContact CD2-CE1 4.18Å; L181-Y325 HydrophobicContact CD2-CE2 4.45Å; L181-Y325 HydrophobicContact CD2-CG 3.82Å; L181-Y325 HydrophobicContact CG-CD2 4.41Å; L181-Y325 HydrophobicContact CG-CG 4.45Å
182C95.1Very high95.4Very high28 Ų2835.4 Ų35.419%0.18919%0.189CC..THydrogen-bonded Turntrans-73.7-21.7173.865.30000113.6Y177 N179 A180Y177-C182 WeakPolarHBondContact O-CB 3.39Å; N179-C182 VanDerWaalsContact C-SG 3.51Å; N179-C182 WeakPolarHBondContact CA-SG 3.45Å; A180-C182 PolarHBondContact O-N 3.03Å; A180-C182 VanDerWaalsContact O-N 3.14Å
183N95.4Very high95.2Very high16 Ų1639.7 Ų39.79%0.08621%0.212CC..SBendtrans-64.1138.6179.5-68.8-18.3000109.8C64 E67 Q72 A180 L181C64-N183 HydrophobicContact CB-CB 4.12Å; C64-N183 VanDerWaalsContact O-CB 3.26Å; C64-N183 WeakPolarHBondContact O-CB 3.46Å; C64-N183 PolarHBondContact O-ND2 2.99Å; C64-N183 PolarHBondContact SG-O 3.38Å; C64-N183 VanDerWaalsContact SG-O 3.34Å; E67-N183 PolarHBondContact O-ND2 2.62Å; Q72-N183 PolarHBondContact NE2-OD1 2.95Å; A180-N183 PolarHBondContact O-N 3.3Å; L181-N183 VanDerWaalsContact C-N 3.32Å
184S95.3Very high95Very high44 Ų4444.7 Ų44.731%0.30824%0.235SC..  trans-77.1152.2179.4-175.50000110.9C64 E170 Y186C64-S184 VanDerWaalsContact CB-O 3.24Å; C64-S184 WeakPolarHBondContact CB-O 3.47Å; E170-S184 WeakPolarHBondContact OE2-CA 3.33Å; E170-S184 WeakPolarHBondContact OE2-CB 3.36Å; E170-S184 PolarHBondContact OE2-OG 3.4Å; S184-Y186 WeakPolarHBondContact CB-O 3.44Å; S184-Y186 PolarHBondContact O-N 3.05Å; S184-Y186 PolarHBondContact OG-N 2.84Å; S184-Y186 VanDerWaalsContact OG-N 3.15Å
185L95.8Very high95Very high31 Ų3143 Ų4316%0.16222%0.219CC..SBendtrans-67.7-19.2167.6-66.4173.9000112.4R111 E170R111-L185 HydrophobicContact CG-CD2 3.9Å; R111-L185 HydrophobicContact CG-CG 4.39Å; E170-L185 PolarHBondContact OE2-N 2.94Å
186Y96Very high94.8Very high52 Ų5248 Ų4820%0.20424%0.242CC..SBendtrans-107.6141.1-179.7-62.2-86.2000110.7H76 K157 A160 L166 E170 S184H76-Y186 AromaticContact CE1-CD1 3.78Å; H76-Y186 AromaticContact NE2-CD1 3.88Å; K157-Y186 HydrophobicContact CG-CD1 4.43Å; A160-Y186 HydrophobicContact CB-CD1 4.11Å; A160-Y186 HydrophobicContact CB-CE1 3.65Å; A160-Y186 HydrophobicContact CB-CE2 4.12Å; L166-Y186 HydrophobicContact CD1-CE2 4.03Å; L166-Y186 HydrophobicContact CD2-CE2 3.62Å; L166-Y186 VanDerWaalsContact CD2-OH 3.31Å; L166-Y186 WeakPolarHBondContact CD2-OH 3.4Å; L166-Y186 HydrophobicContact CG-CE2 4.04Å; E170-Y186 HydrophobicContact CG-CD2 4.43Å; S184-Y186 WeakPolarHBondContact CB-O 3.44Å; S184-Y186 PolarHBondContact O-N 3.05Å; S184-Y186 PolarHBondContact OG-N 2.84Å; S184-Y186 VanDerWaalsContact OG-N 3.15Å
187C96Very high94.8Very high1 Ų148.8 Ų48.81%0.00725%0.248CC..  trans-58.3128.6175.8178.60000111H76 V153 K157 I195H76-C187 HydrophobicContact CB-CB 4.42Å; H76-C187 PolarHBondContact ND1-N 3.36Å; V153-C187 HydrophobicContact CG1-CB 4.18Å; K157-C187 WeakPolarHBondContact CD-O 3.37Å; K157-C187 WeakPolarHBondContact CE-O 3.39Å; K157-C187 PolarHBondContact NZ-O 3.34Å; C187-I195 HydrophobicContact CB-CD1 4.49Å; C187-I195 VanDerWaalsContact SG-CD1 3.52Å
188P94.8Very high94.7Very high34 Ų3453.8 Ų53.822%0.22127%0.271CS..  trans-68.5153.6179.329.2-34.2000111.4Q72 H190 M191 V192Q72-P188 HydrophobicContact CB-CG 3.92Å; P188-H190 VanDerWaalsContact C-N 3.27Å; P188-H190 PolarHBondContact O-N 3.13Å; P188-M191 HydrophobicContact CG-CB 3.86Å; P188-M191 HydrophobicContact CG-CG 3.72Å; P188-M191 PolarHBondContact O-N 2.97Å; P188-V192 WeakPolarHBondContact O-CG2 3.35Å; P188-V192 PolarHBondContact O-N 3.01Å
189D93.6Very high94.8Very high135 Ų13548.7 Ų48.772%0.72225%0.25SC*.G310 helixtrans-54.7-41.1-173.3-68.6-27.9000113.4K157 M191 V192K157-D189 WeakPolarHBondContact CE-OD1 3.41Å; K157-D189 IonicContact NZ-OD1 2.86Å; K157-D189 PolarHBondContact NZ-OD1 2.76Å; D189-M191 PolarHBondContact O-N 3.22Å; D189-V192 PolarHBondContact O-N 3.31Å
190H94Very high94.9Very high120 Ų12046.6 Ų46.656%0.55624%0.239SC*.G310 helixtrans-72.5-9.1-18067.9-89.6000114.2P188 H194P188-H190 VanDerWaalsContact C-N 3.27Å; P188-H190 PolarHBondContact O-N 3.13Å; H190-H194 PolarHBondContact O-CD2 2.87Å
191M95.1Very high95Very high18 Ų1848.3 Ų48.39%0.08925%0.245CC..G310 helixtrans-105.6-13.3178-70.6-58.7-69.200113.8D70 Q72 P188 D189 D193 H194 I195D70-M191 WeakPolarHBondContact O-CE 3.45Å; Q72-M191 HydrophobicContact CB-CG 4.38Å; Q72-M191 WeakPolarHBondContact O-CB 3.44Å; P188-M191 HydrophobicContact CG-CB 3.86Å; P188-M191 HydrophobicContact CG-CG 3.72Å; P188-M191 PolarHBondContact O-N 2.97Å; D189-M191 PolarHBondContact O-N 3.22Å; M191-D193 VanDerWaalsContact C-N 3.26Å; M191-D193 PolarHBondContact O-N 3.44Å; M191-D193 VanDerWaalsContact O-N 3.16Å; M191-H194 PolarHBondContact O-N 3.39Å; M191-H194 HydrophobicContact SD-CB 4.44Å; M191-I195 HydrophobicContact CB-CG1 4.45Å; M191-I195 HydrophobicContact CE-CG1 4.23Å; M191-I195 WeakPolarHBondContact O-CG1 3.43Å; M191-I195 PolarHBondContact O-N 3.18Å
192V93.9Very high94.9Very high8 Ų852 Ų525%0.04826%0.263CS..THydrogen-bonded Turntrans-55.6-40.3-171.2175.90000112.9T150 V153 K154 K157 P188 D189T150-V192 HydrophobicContact CG2-CG1 4.06Å; V153-V192 HydrophobicContact CG1-CG1 4.24Å; K154-V192 HydrophobicContact CD-CG1 4.31Å; K154-V192 VanDerWaalsContact CE-CG1 3.45Å; K154-V192 HydrophobicContact CG-CG1 3.79Å; K157-V192 HydrophobicContact CD-CG2 4.03Å; P188-V192 WeakPolarHBondContact O-CG2 3.35Å; P188-V192 PolarHBondContact O-N 3.01Å; D189-V192 PolarHBondContact O-N 3.31Å
193D92.4Very high94.9Very high91 Ų9150.8 Ų50.849%0.48725%0.254SS..THydrogen-bonded Turntrans-98.14.2-178.7-59.9-45.8000112.5T150 K154 M191T150-D193 WeakPolarHBondContact CG2-OD1 3.35Å; K154-D193 WeakPolarHBondContact CE-OD1 3.4Å; K154-D193 IonicContact NZ-OD1 3.28Å; K154-D193 PolarHBondContact NZ-OD1 2.93Å; K154-D193 IonicContact NZ-OD2 3.8Å; K154-D193 PolarHBondContact NZ-OD2 3.12Å; M191-D193 VanDerWaalsContact C-N 3.26Å; M191-D193 PolarHBondContact O-N 3.44Å; M191-D193 VanDerWaalsContact O-N 3.16Å
194H94.3Very high94.8Very high111 Ų11150.2 Ų50.251%0.51425%0.251SS..THydrogen-bonded Turntrans-117.10.1-173.4-66.7-76000114.2H190 M191 H199H190-H194 PolarHBondContact O-CD2 2.87Å; M191-H194 PolarHBondContact O-N 3.39Å; M191-H194 HydrophobicContact SD-CB 4.44Å; H194-H199 PolarHBondContact O-CE1 2.97Å; H194-H199 VanDerWaalsContact O-CE1 3.29Å; H194-H199 PolarHBondContact O-ND1 3.37Å
195I94.6Very high94.6Very high10 Ų1053.1 Ų53.15%0.05126%0.26CS..  trans-83.6122.2171.4-60.5165.8000109.2V74 L77 C187 M191 H199 L200V74-I195 HydrophobicContact CG2-CG2 3.79Å; L77-I195 HydrophobicContact CD1-CD1 3.91Å; L77-I195 HydrophobicContact CD2-CB 4.05Å; L77-I195 HydrophobicContact CD2-CG2 3.71Å; C187-I195 HydrophobicContact CB-CD1 4.49Å; C187-I195 VanDerWaalsContact SG-CD1 3.52Å; M191-I195 HydrophobicContact CB-CG1 4.45Å; M191-I195 HydrophobicContact CE-CG1 4.23Å; M191-I195 WeakPolarHBondContact O-CG1 3.43Å; M191-I195 PolarHBondContact O-N 3.18Å; I195-H199 HydrophobicContact CG2-CB 4.25Å; I195-L200 HydrophobicContact CG2-CD2 4.44Å
196H94.4Very high94.3Very high106 Ų10656 Ų5649%0.49128%0.275SS..  trans-115.1167.2-179.7-56.4-49.4000111.4E198 H199 L200H196-E198 PolarHBondContact O-N 2.72Å; H196-E198 VanDerWaalsContact O-N 3.13Å; H196-H199 PolarHBondContact N-ND1 3.49Å; H196-H199 WeakPolarHBondContact O-CB 3.48Å; H196-H199 PolarHBondContact O-N 3.42Å; H196-L200 PolarHBondContact O-N 3.35Å
197S96.4Very high94.2Very high18 Ų1853.7 Ų53.713%0.12627%0.266CS..Hα-helixtrans-49.3-38.9177.3-600000113.8F141 P143 H199 L200 H201F141-S197 WeakPolarHBondContact O-CB 3.02Å; F141-S197 PolarHBondContact O-OG 3.17Å; P143-S197 WeakPolarHBondContact CA-OG 3.28Å; S197-H199 VanDerWaalsContact C-N 3.34Å; S197-H199 PolarHBondContact O-N 3.45Å; S197-L200 PolarHBondContact O-N 3.46Å; S197-H201 PolarHBondContact O-CD2 2.66Å; S197-H201 VanDerWaalsContact O-CD2 3.27Å; S197-H201 PolarHBondContact O-N 3.15Å
198E95.9Very high94Very high106 Ų10654 Ų5450%0.49527%0.268SS..Hα-helixtrans-63.7-39.1-179.3-174.858.9-161.100112.1H196 L200 H201 Q202H196-E198 PolarHBondContact O-N 2.72Å; H196-E198 VanDerWaalsContact O-N 3.13Å; E198-L200 VanDerWaalsContact C-N 3.31Å; E198-L200 PolarHBondContact O-N 3.3Å; E198-H201 PolarHBondContact O-N 2.83Å; E198-Q202 HydrophobicContact CG-CG 4.33Å; E198-Q202 WeakPolarHBondContact O-CB 3.22Å; E198-Q202 VanDerWaalsContact O-CG 3.24Å; E198-Q202 WeakPolarHBondContact O-CG 3.47Å; E198-Q202 PolarHBondContact O-N 3.24Å; E198-Q202 WeakPolarHBondContact OE1-CG 3.24Å; E198-Q202 PolarHBondContact OE1-NE2 3.48Å
199H96.1Very high93.8Very high41 Ų4152.8 Ų52.819%0.1926%0.26CS..Hα-helixtrans-62.8-39.7176.5-57.4148.3000111.5N71 V74 H194 I195 H196 S197 F203N71-H199 HydrophobicContact CB-CB 4.35Å; V74-H199 HydrophobicContact CG2-CB 3.7Å; H194-H199 PolarHBondContact O-CE1 2.97Å; H194-H199 VanDerWaalsContact O-CE1 3.29Å; H194-H199 PolarHBondContact O-ND1 3.37Å; I195-H199 HydrophobicContact CG2-CB 4.25Å; H196-H199 PolarHBondContact N-ND1 3.49Å; H196-H199 WeakPolarHBondContact O-CB 3.48Å; H196-H199 PolarHBondContact O-N 3.42Å; S197-H199 VanDerWaalsContact C-N 3.34Å; S197-H199 PolarHBondContact O-N 3.45Å; H199-F203 WeakPolarHBondContact O-CB 3.23Å; H199-F203 PolarHBondContact O-N 3.38Å
200L96.1Very high93.6Very high0 Ų046.4 Ų46.40%023%0.226CC..Hα-helixtrans-66.6-46.6176.5-59.2172.2000111V74 L77 L78 F141 V146 I195 H196 S197 E198 F203 V204V74-L200 HydrophobicContact CB-CD2 4.49Å; V74-L200 HydrophobicContact CG1-CD2 4.17Å; V74-L200 HydrophobicContact CG2-CD2 4.13Å; L77-L200 HydrophobicContact CB-CD2 3.93Å; L78-L200 HydrophobicContact CD2-CB 4.23Å; L78-L200 HydrophobicContact CD2-CD2 3.79Å; L78-L200 HydrophobicContact CG-CD2 3.76Å; F141-L200 HydrophobicContact CB-CB 4.43Å; F141-L200 HydrophobicContact CB-CD1 4.16Å; F141-L200 HydrophobicContact CD1-CB 4.14Å; F141-L200 HydrophobicContact CD1-CD1 3.7Å; F141-L200 HydrophobicContact CD2-CB 3.51Å; F141-L200 HydrophobicContact CD2-CD1 4.48Å; F141-L200 HydrophobicContact CE1-CB 4.27Å; F141-L200 HydrophobicContact CE1-CD1 4.2Å; F141-L200 HydrophobicContact CE2-CB 3.65Å; F141-L200 HydrophobicContact CG-CB 3.78Å; F141-L200 HydrophobicContact CG-CD1 3.87Å; F141-L200 HydrophobicContact CG-CG 4.49Å; F141-L200 HydrophobicContact CZ-CB 4.04Å; V146-L200 HydrophobicContact CG1-CD1 3.98Å; V146-L200 HydrophobicContact CG2-CD1 3.74Å; I195-L200 HydrophobicContact CG2-CD2 4.44Å; H196-L200 PolarHBondContact O-N 3.35Å; S197-L200 PolarHBondContact O-N 3.46Å; E198-L200 VanDerWaalsContact C-N 3.31Å; E198-L200 PolarHBondContact O-N 3.3Å; L200-F203 PolarHBondContact O-N 3.02Å; L200-V204 WeakPolarHBondContact O-CG2 3.44Å; L200-V204 PolarHBondContact O-N 3.47Å
201H94.6Very high93.4Very high45 Ų4542.4 Ų42.421%0.20821%0.214CC..Hα-helixtrans-59-50177.1-85.2-59000112.1P139 E140 F141 S197 E198 F203 V204 Q205P139-H201 PolarHBondContact O-CE1 2.95Å; E140-H201 PolarHBondContact O-CE1 2.73Å; E140-H201 PolarHBondContact O-NE2 3.04Å; F141-H201 AromaticContact CD2-CD2 3.97Å; F141-H201 AromaticContact CD2-CE1 3.67Å; F141-H201 AromaticContact CD2-CG 3.93Å; F141-H201 AromaticContact CD2-ND1 3.77Å; F141-H201 AromaticContact CD2-NE2 3.81Å; S197-H201 PolarHBondContact O-CD2 2.66Å; S197-H201 VanDerWaalsContact O-CD2 3.27Å; S197-H201 PolarHBondContact O-N 3.15Å; E198-H201 PolarHBondContact O-N 2.83Å; H201-F203 VanDerWaalsContact C-N 3.34Å; H201-F203 PolarHBondContact O-N 3.17Å; H201-V204 PolarHBondContact O-N 3.29Å; H201-Q205 WeakPolarHBondContact O-CB 3.2Å; H201-Q205 VanDerWaalsContact O-CG 3.22Å; H201-Q205 WeakPolarHBondContact O-CG 3.46Å; H201-Q205 PolarHBondContact O-N 2.96Å
202Q93.9Very high93.2Very high78 Ų7841.7 Ų41.736%0.36421%0.21SC..Hα-helixtrans-61.1-43179.1-72.3176.11.900111.5E198 Q205 N206E198-Q202 HydrophobicContact CG-CG 4.33Å; E198-Q202 WeakPolarHBondContact O-CB 3.22Å; E198-Q202 VanDerWaalsContact O-CG 3.24Å; E198-Q202 WeakPolarHBondContact O-CG 3.47Å; E198-Q202 PolarHBondContact O-N 3.24Å; E198-Q202 WeakPolarHBondContact OE1-CG 3.24Å; E198-Q202 PolarHBondContact OE1-NE2 3.48Å; Q202-Q205 PolarHBondContact O-N 3.3Å; Q202-N206 WeakPolarHBondContact O-CB 3.44Å; Q202-N206 PolarHBondContact O-N 3.45Å; Q202-N206 PolarHBondContact O-ND2 2.86Å
203F94.7Very high93.2Very high2 Ų241.7 Ų41.71%0.00921%0.209CC..Hα-helixtrans-64.3-44.3178.5-172.6-86.1000112.2A62 E67 V74 T75 L78 H199 L200 H201 N206 N207 F208A62-F203 HydrophobicContact CB-CE1 4.11Å; A62-F203 HydrophobicContact CB-CZ 4.42Å; E67-F203 HydrophobicContact CG-CE2 4.07Å; V74-F203 HydrophobicContact CG1-CB 3.52Å; V74-F203 HydrophobicContact CG1-CD1 3.89Å; V74-F203 HydrophobicContact CG1-CD2 3.75Å; V74-F203 HydrophobicContact CG1-CE2 4.43Å; V74-F203 HydrophobicContact CG1-CG 3.44Å; V74-F203 VanDerWaalsContact CG1-CG 3.44Å; T75-F203 HydrophobicContact CG2-CE1 3.69Å; T75-F203 HydrophobicContact CG2-CE2 3.95Å; T75-F203 HydrophobicContact CG2-CZ 3.31Å; L78-F203 HydrophobicContact CD1-CD1 3.43Å; L78-F203 VanDerWaalsContact CD1-CD1 3.43Å; L78-F203 HydrophobicContact CD1-CE1 3.87Å; L78-F203 HydrophobicContact CD1-CG 4.28Å; H199-F203 WeakPolarHBondContact O-CB 3.23Å; H199-F203 PolarHBondContact O-N 3.38Å; L200-F203 PolarHBondContact O-N 3.02Å; H201-F203 VanDerWaalsContact C-N 3.34Å; H201-F203 PolarHBondContact O-N 3.17Å; F203-N206 PolarHBondContact O-N 2.9Å; F203-N207 HydrophobicContact CD1-CB 4.47Å; F203-N207 WeakPolarHBondContact CD2-ND2 3.2Å; F203-N207 HydrophobicContact CE1-CB 4.2Å; F203-N207 WeakPolarHBondContact CE2-ND2 3.34Å; F203-N207 HydrophobicContact CZ-CB 4.48Å; F203-N207 WeakPolarHBondContact O-CB 3.23Å; F203-N207 PolarHBondContact O-N 3.19Å; F203-N207 PolarHBondContact O-ND2 3.45Å; F203-F208 HydrophobicContact CD1-CE2 4.25Å; F203-F208 HydrophobicContact CE1-CE2 4.14Å
204V93.4Very high93.3Very high4 Ų437.4 Ų37.42%0.02419%0.186CC..Hα-helixtrans-63.6-43.2175.7171.60000110.4L78 P139 F141 L200 H201 N206 F208L78-V204 HydrophobicContact CD1-CG2 4.27Å; L78-V204 HydrophobicContact CD2-CG2 3.9Å; P139-V204 HydrophobicContact CG-CG1 4.37Å; F141-V204 HydrophobicContact CE2-CG2 3.89Å; F141-V204 HydrophobicContact CZ-CG2 4Å; L200-V204 WeakPolarHBondContact O-CG2 3.44Å; L200-V204 PolarHBondContact O-N 3.47Å; H201-V204 PolarHBondContact O-N 3.29Å; V204-N206 VanDerWaalsContact C-N 3.32Å; V204-N206 PolarHBondContact O-N 3.45Å; V204-F208 HydrophobicContact CB-CD2 4.38Å; V204-F208 HydrophobicContact CB-CG 4.37Å; V204-F208 HydrophobicContact CG1-CB 3.96Å; V204-F208 HydrophobicContact CG1-CD1 4.03Å; V204-F208 HydrophobicContact CG1-CD2 4.4Å; V204-F208 HydrophobicContact CG1-CG 3.89Å; V204-F208 HydrophobicContact CG2-CD1 4.44Å; V204-F208 HydrophobicContact CG2-CD2 4.27Å; V204-F208 HydrophobicContact CG2-CE1 4.34Å; V204-F208 HydrophobicContact CG2-CE2 4.19Å; V204-F208 HydrophobicContact CG2-CG 4.43Å; V204-F208 HydrophobicContact CG2-CZ 4.23Å; V204-F208 VanDerWaalsContact O-CB 3.26Å; V204-F208 WeakPolarHBondContact O-CB 3.24Å; V204-F208 PolarHBondContact O-N 2.92Å
205Q90.5Very high93.4Very high104 Ų10432.2 Ų32.249%0.48616%0.163SC..Hα-helixtrans-58.7-40.9175.8-74.1175.118.300113.1H201 Q202 R236H201-Q205 WeakPolarHBondContact O-CB 3.2Å; H201-Q205 VanDerWaalsContact O-CG 3.22Å; H201-Q205 WeakPolarHBondContact O-CG 3.46Å; H201-Q205 PolarHBondContact O-N 2.96Å; Q202-Q205 PolarHBondContact O-N 3.3Å; Q205-R236 VanDerWaalsContact CA-NH1 3.32Å; Q205-R236 VanDerWaalsContact CG-NH1 3.26Å
206N90.6Very high93.5Very high91 Ų9131.8 Ų31.849%0.48716%0.16SC..Hα-helixtrans-83.5-25.6-175.1-68-22.8000114.1Q202 F203 V204 R212 G240 A241Q202-N206 WeakPolarHBondContact O-CB 3.44Å; Q202-N206 PolarHBondContact O-N 3.45Å; Q202-N206 PolarHBondContact O-ND2 2.86Å; F203-N206 PolarHBondContact O-N 2.9Å; V204-N206 VanDerWaalsContact C-N 3.32Å; V204-N206 PolarHBondContact O-N 3.45Å; N206-R212 PolarHBondContact O-NH1 3.34Å; N206-G240 WeakPolarHBondContact O-CA 3.48Å; N206-A241 PolarHBondContact O-N 3.34Å
207N92.1Very high93.5Very high4 Ų426.7 Ų26.72%0.02114%0.137CC..Hα-helixtrans-117-26.1-170.6-61.5-75.7000114.9A62 F203 T209 R212A62-N207 HydrophobicContact CB-CB 3.96Å; F203-N207 HydrophobicContact CD1-CB 4.47Å; F203-N207 WeakPolarHBondContact CD2-ND2 3.2Å; F203-N207 HydrophobicContact CE1-CB 4.2Å; F203-N207 WeakPolarHBondContact CE2-ND2 3.34Å; F203-N207 HydrophobicContact CZ-CB 4.48Å; F203-N207 WeakPolarHBondContact O-CB 3.23Å; F203-N207 PolarHBondContact O-N 3.19Å; F203-N207 PolarHBondContact O-ND2 3.45Å; N207-T209 VanDerWaalsContact C-N 3.29Å; N207-T209 PolarHBondContact O-N 3.29Å; N207-T209 VanDerWaalsContact O-N 3.13Å; N207-R212 VanDerWaalsContact OD1-CZ 3.25Å; N207-R212 PolarHBondContact OD1-NH1 3.27Å; N207-R212 PolarHBondContact OD1-NH2 3.23Å
208F92.6Very high93.5Very high8 Ų826 Ų264%0.03513%0.132CC..  trans-9368-177.6-68.5-140.5000108.7I60 A62 L78 M114 Y116 T136 F203 V204I60-F208 HydrophobicContact CD1-CD1 3.36Å; I60-F208 HydrophobicContact CD1-CE1 3.34Å; I60-F208 HydrophobicContact CD1-CG 4.01Å; I60-F208 HydrophobicContact CD1-CZ 3.97Å; I60-F208 HydrophobicContact CG2-CD2 4.12Å; I60-F208 HydrophobicContact CG2-CE2 4.42Å; I60-F208 HydrophobicContact CG2-CG 4.17Å; A62-F208 HydrophobicContact CB-CD2 4.32Å; A62-F208 HydrophobicContact CB-CE2 3.95Å; L78-F208 HydrophobicContact CD1-CE2 4.46Å; L78-F208 HydrophobicContact CD1-CZ 4.44Å; M114-F208 HydrophobicContact SD-CE2 4.46Å; M114-F208 HydrophobicContact SD-CZ 4.19Å; Y116-F208 AromaticContact CE2-CE1 3.93Å; Y116-F208 HydrophobicContact CE2-CE1 3.93Å; Y116-F208 HydrophobicContact CE2-CZ 4.12Å; T136-F208 WeakPolarHBondContact O-CD1 3.2Å; F203-F208 HydrophobicContact CD1-CE2 4.25Å; F203-F208 HydrophobicContact CE1-CE2 4.14Å; V204-F208 HydrophobicContact CB-CD2 4.38Å; V204-F208 HydrophobicContact CB-CG 4.37Å; V204-F208 HydrophobicContact CG1-CB 3.96Å; V204-F208 HydrophobicContact CG1-CD1 4.03Å; V204-F208 HydrophobicContact CG1-CD2 4.4Å; V204-F208 HydrophobicContact CG1-CG 3.89Å; V204-F208 HydrophobicContact CG2-CD1 4.44Å; V204-F208 HydrophobicContact CG2-CD2 4.27Å; V204-F208 HydrophobicContact CG2-CE1 4.34Å; V204-F208 HydrophobicContact CG2-CE2 4.19Å; V204-F208 HydrophobicContact CG2-CG 4.43Å; V204-F208 HydrophobicContact CG2-CZ 4.23Å; V204-F208 VanDerWaalsContact O-CB 3.26Å; V204-F208 WeakPolarHBondContact O-CB 3.24Å; V204-F208 PolarHBondContact O-N 2.92Å
209T91.1Very high93.3Very high9 Ų921 Ų216%0.05511%0.108CC..  trans-109.2151.4177.267.80000110.8N207 A211 R212 M213 R236 G238N207-T209 VanDerWaalsContact C-N 3.29Å; N207-T209 PolarHBondContact O-N 3.29Å; N207-T209 VanDerWaalsContact O-N 3.13Å; T209-A211 VanDerWaalsContact C-N 3.26Å; T209-A211 PolarHBondContact O-N 3.25Å; T209-R212 CarbonylContact O-C 3.59Å; T209-R212 WeakPolarHBondContact O-CA 3.45Å; T209-R212 PolarHBondContact O-N 3.47Å; T209-M213 VanDerWaalsContact O-CG 3.28Å; T209-M213 WeakPolarHBondContact O-CG 3.15Å; T209-M213 PolarHBondContact O-N 3.29Å; T209-R236 VanDerWaalsContact CA-O 3.29Å; T209-R236 WeakPolarHBondContact CA-O 3.44Å; T209-R236 WeakPolarHBondContact CB-O 3.45Å; T209-G238 VanDerWaalsContact CB-O 3.32Å; T209-G238 WeakPolarHBondContact CB-O 3.25Å; T209-G238 PolarHBondContact OG1-O 3.42Å
210S89.5Confident93.1Very high1 Ų119.2 Ų19.21%0.00710%0.1CC..G310 helixtrans-54.3-39.2-176.254.70000113.2S40 G41 L42 R212 M213 R236S40-S210 WeakPolarHBondContact O-CB 3.29Å; S40-S210 PolarHBondContact O-OG 2.95Å; G41-S210 CarbonylContact C-O 3.49Å; L42-S210 VanDerWaalsContact CA-O 3.24Å; L42-S210 WeakPolarHBondContact CA-O 3.49Å; L42-S210 PolarHBondContact N-O 3.28Å; S210-R212 PolarHBondContact O-N 2.77Å; S210-M213 PolarHBondContact O-N 3.37Å; S210-M213 VanDerWaalsContact O-N 3.16Å; S210-R236 PolarHBondContact N-O 2.99Å; S210-R236 PolarHBondContact OG-O 3.2Å
211A89.2Confident92.9Very high36 Ų3624.1 Ų24.130%0.29812%0.123SC..G310 helixtrans-71.2-7.7178.500000114.7R61 T209 G238R61-A211 PolarHBondContact NH2-O 2.82Å; T209-A211 VanDerWaalsContact C-N 3.26Å; T209-A211 PolarHBondContact O-N 3.25Å; A211-G238 WeakPolarHBondContact CB-O 3.35Å
212R91.6Very high92.9Very high3 Ų322.9 Ų22.91%0.01112%0.117CC..G310 helixtrans-112.311.8176.3-65.5179.568.6170.4-3111.6I60 R61 N206 N207 T209 S210 A239 A241 L396I60-R212 CarbonylContact C-O 3.56Å; I60-R212 WeakPolarHBondContact CA-O 3.3Å; R61-R212 HydrophobicContact CB-CB 4.22Å; R61-R212 PolarHBondContact N-O 3.41Å; R61-R212 PolarHBondContact O-NE 2.91Å; R61-R212 PolarHBondContact O-NH2 2.81Å; N206-R212 PolarHBondContact O-NH1 3.34Å; N207-R212 VanDerWaalsContact OD1-CZ 3.25Å; N207-R212 PolarHBondContact OD1-NH1 3.27Å; N207-R212 PolarHBondContact OD1-NH2 3.23Å; T209-R212 CarbonylContact O-C 3.59Å; T209-R212 WeakPolarHBondContact O-CA 3.45Å; T209-R212 PolarHBondContact O-N 3.47Å; S210-R212 PolarHBondContact O-N 2.77Å; R212-A239 WeakPolarHBondContact CD-O 3.43Å; R212-A241 PolarHBondContact NH1-O 3.02Å; R212-L396 WeakPolarHBondContact O-CD1 3.45Å
213M93.3Very high92.9Very high8 Ų821.3 Ų21.34%0.03912%0.115CC..EExtended strand (participates in β ladder)trans-119146.8-177.3-67.4172.277.800110.7L42 V43 V58 F59 I60 T209 S210 L233L42-M213 HydrophobicContact CD1-CB 3.51Å; L42-M213 WeakPolarHBondContact CD1-O 3.17Å; V43-M213 PolarHBondContact N-O 2.79Å; V58-M213 HydrophobicContact CG1-CE 3.28Å; F59-M213 CarbonylContact O-C 3.38Å; F59-M213 VanDerWaalsContact O-CA 3.25Å; F59-M213 WeakPolarHBondContact O-CA 3.47Å; I60-M213 HydrophobicContact CD1-CE 4.21Å; I60-M213 HydrophobicContact CG1-CE 4.36Å; I60-M213 HydrophobicContact CG1-CG 4.15Å; I60-M213 HydrophobicContact CG2-CG 4.12Å; T209-M213 VanDerWaalsContact O-CG 3.28Å; T209-M213 WeakPolarHBondContact O-CG 3.15Å; T209-M213 PolarHBondContact O-N 3.29Å; S210-M213 PolarHBondContact O-N 3.37Å; S210-M213 VanDerWaalsContact O-N 3.16Å; M213-L233 HydrophobicContact CE-CD2 4Å
214A94.9Very high92.7Very high0 Ų023.2 Ų23.20%013%0.127CC..EExtended strand (participates in β ladder)trans-128.2125.1165.400000108.9V43 F59 V216 A395 L396V43-A214 HydrophobicContact CB-CB 4.21Å; V43-A214 CarbonylContact O-C 3.35Å; V43-A214 WeakPolarHBondContact O-CA 3.25Å; F59-A214 HydrophobicContact CB-CB 4.29Å; F59-A214 PolarHBondContact N-O 3.05Å; F59-A214 PolarHBondContact O-N 3.16Å; A214-V216 HydrophobicContact CB-CG2 4.48Å; A214-A395 HydrophobicContact CB-CB 3.94Å; A214-L396 HydrophobicContact CB-CB 4.49Å; A214-L396 HydrophobicContact CB-CD1 4.4Å
215L95.4Very high92.6Very high3 Ų323 Ų232%0.01613%0.125CC..EExtended strand (participates in β ladder)trans-92.5120171.8177.764.3000108.2V43 I44 T45 I56 V58 L225 V228 L233V43-L215 PolarHBondContact O-N 2.94Å; I44-L215 CarbonylContact C-O 3.55Å; I44-L215 WeakPolarHBondContact CA-O 3.37Å; I44-L215 HydrophobicContact CG1-CB 4.46Å; T45-L215 PolarHBondContact N-O 3.48Å; I56-L215 HydrophobicContact CG2-CD1 4.02Å; V58-L215 HydrophobicContact CG2-CD1 3.88Å; L215-L225 HydrophobicContact CD1-CD2 4.5Å; L215-L225 HydrophobicContact CD2-CB 4.21Å; L215-L225 HydrophobicContact CD2-CD2 4.01Å; L215-L225 HydrophobicContact CG-CD2 4.18Å; L215-V228 HydrophobicContact CD2-CG1 4.37Å; L215-L233 HydrophobicContact CB-CD1 4.08Å; L215-L233 HydrophobicContact CD1-CD1 4.19Å; L215-L233 HydrophobicContact CD2-CD1 4.03Å; L215-L233 HydrophobicContact CG-CD1 4.32Å
216V96.4Very high92.7Very high0 Ų022 Ų220%012%0.12CC..EExtended strand (participates in β ladder)trans-121.3131.1-174.4-168.60000109.2T45 I56 G57 F59 A214 L388 M391 G392T45-V216 CarbonylContact O-C 3.44Å; T45-V216 WeakPolarHBondContact O-CA 3.15Å; I56-V216 CarbonylContact C-O 3.57Å; I56-V216 WeakPolarHBondContact CA-O 3.49Å; G57-V216 PolarHBondContact N-O 3.48Å; G57-V216 PolarHBondContact O-N 3.37Å; F59-V216 HydrophobicContact CD2-CB 4.09Å; F59-V216 HydrophobicContact CD2-CG2 3.47Å; F59-V216 VanDerWaalsContact CD2-CG2 3.47Å; F59-V216 HydrophobicContact CE2-CB 3.9Å; F59-V216 HydrophobicContact CE2-CG2 3.7Å; F59-V216 HydrophobicContact CG-CG2 4.35Å; A214-V216 HydrophobicContact CB-CG2 4.48Å; V216-L388 HydrophobicContact CB-CD1 4.08Å; V216-L388 HydrophobicContact CG1-CD1 3.67Å; V216-L388 HydrophobicContact CG1-CG 4.22Å; V216-M391 HydrophobicContact CG1-CB 3.72Å; V216-M391 HydrophobicContact CG1-CE 3.93Å; V216-G392 VanDerWaalsContact CG2-CA 3.48Å
217G95.8Very high92.6Very high0 Ų023 Ų230%012%0.121CC..EExtended strand (participates in β ladder)trans-133.8134.6173.500000113.5T45 S46 L47 K55T45-G217 PolarHBondContact O-N 3.04Å; S46-G217 CarbonylContact C-O 3.58Å; S46-G217 VanDerWaalsContact CA-O 3.23Å; S46-G217 WeakPolarHBondContact CA-O 3.47Å; L47-G217 PolarHBondContact N-O 3.28Å; K55-G217 WeakPolarHBondContact O-CA 3.5Å
218L95.3Very high92.3Very high3 Ų323.4 Ų23.42%0.01612%0.124CC..EExtended strand (participates in β ladder)trans-112.5126.9173.9-17966.7000108.5L47 S54 K55 T384 L387 L388L47-L218 HydrophobicContact CB-CD1 3.96Å; L47-L218 HydrophobicContact CD2-CD1 3.73Å; L47-L218 HydrophobicContact CG-CD1 4.06Å; S54-L218 VanDerWaalsContact CA-O 3.31Å; S54-L218 WeakPolarHBondContact CA-O 3.37Å; K55-L218 HydrophobicContact CB-CB 4.44Å; K55-L218 PolarHBondContact N-O 3.02Å; K55-L218 PolarHBondContact O-N 3.47Å; L218-T384 HydrophobicContact CD2-CG2 3.86Å; L218-L387 HydrophobicContact CD1-CD2 3.85Å; L218-L387 HydrophobicContact CD1-CG 4.49Å; L218-L387 HydrophobicContact CD2-CD2 4.44Å; L218-L388 HydrophobicContact CB-CD1 4.32Å
219G92.5Very high91.9Very high0 Ų023 Ų230%012%0.122CC..SBendtrans73.730.3-172.800000113.1L47 N49 S54 R122L47-G219 PolarHBondContact O-N 3.18Å; N49-G219 WeakPolarHBondContact OD1-CA 3.37Å; S54-G219 PolarHBondContact OG-O 3.17Å; R122-G219 PolarHBondContact NH1-O 3.34Å
220V92.4Very high91.6Very high4 Ų427 Ų272%0.02414%0.14CC..SBendtrans-136.4139179.8-169.80000109.6I56 I125 V224 L225I56-V220 HydrophobicContact CD1-CG2 4.08Å; I56-V220 HydrophobicContact CG1-CG2 3.92Å; I125-V220 HydrophobicContact CD1-CB 4.49Å; I125-V220 HydrophobicContact CD1-CG1 4.32Å; I125-V220 HydrophobicContact CD1-CG2 3.77Å; I125-V220 HydrophobicContact CG1-CG2 4.43Å; V220-V224 HydrophobicContact CG1-CB 4.41Å; V220-V224 HydrophobicContact CG1-CG1 4.44Å; V220-L225 HydrophobicContact CB-CD1 4.09Å; V220-L225 HydrophobicContact CB-CG 4.3Å; V220-L225 HydrophobicContact CG1-CD1 4.13Å; V220-L225 HydrophobicContact CG1-CD2 4.11Å; V220-L225 HydrophobicContact CG1-CG 3.79Å
221E92.2Very high91.2Very high104 Ų10433.3 Ų33.349%0.48617%0.169SC..  trans-66.4138.8176.9-163.9-172.1147.700111.5E48 S223 V224 L225E48-E221 PolarHBondContact OE2-N 2.84Å; E221-S223 VanDerWaalsContact C-N 3.26Å; E221-S223 PolarHBondContact O-N 2.87Å; E221-S223 PolarHBondContact OE1-OG 2.92Å; E221-V224 HydrophobicContact CB-CG2 4.19Å; E221-V224 PolarHBondContact O-N 3.04Å; E221-L225 PolarHBondContact O-N 2.9Å
222H94.4Very high90.4Very high18 Ų1836 Ų368%0.08317%0.174CC..Hα-helixtrans-59.4-37-178.3-165.969.1000113.1Q34 S36 S46 V224 L225 K226Q34-H222 HydrophobicContact CB-CB 4.3Å; S36-H222 VanDerWaalsContact CB-NE2 3.33Å; S36-H222 WeakPolarHBondContact CB-NE2 3.27Å; S36-H222 PolarHBondContact OG-NE2 3.34Å; S46-H222 VanDerWaalsContact OG-CA 3.3Å; S46-H222 WeakPolarHBondContact OG-CA 3.3Å; S46-H222 WeakPolarHBondContact OG-CB 3.32Å; S46-H222 VanDerWaalsContact OG-CG 3.32Å; S46-H222 PolarHBondContact OG-ND1 3.3Å; H222-V224 PolarHBondContact O-N 3.43Å; H222-L225 PolarHBondContact O-N 3.39Å; H222-K226 WeakPolarHBondContact O-CB 3.43Å; H222-K226 PolarHBondContact O-N 3Å
223S92.9Very high89.5Confident46 Ų4636 Ų3632%0.32218%0.175SC..Hα-helixtrans-63.2-41-178.465.20000111.9E221 K226 Q227E221-S223 VanDerWaalsContact C-N 3.26Å; E221-S223 PolarHBondContact O-N 2.87Å; E221-S223 PolarHBondContact OE1-OG 2.92Å; S223-K226 WeakPolarHBondContact O-CB 3.46Å; S223-K226 PolarHBondContact O-N 2.6Å; S223-Q227 WeakPolarHBondContact O-CG 3.46Å; S223-Q227 PolarHBondContact O-N 3.23Å
224V91Very high88Confident41 Ų4139.5 Ų39.525%0.24819%0.194CC..Hα-helixtrans-63.2-50.3177.6176.90000110.2M129 V220 E221 H222 K226 Q227 V228M129-V224 HydrophobicContact CE-CG1 4.34Å; V220-V224 HydrophobicContact CG1-CB 4.41Å; V220-V224 HydrophobicContact CG1-CG1 4.44Å; E221-V224 HydrophobicContact CB-CG2 4.19Å; E221-V224 PolarHBondContact O-N 3.04Å; H222-V224 PolarHBondContact O-N 3.43Å; V224-K226 VanDerWaalsContact C-N 3.27Å; V224-K226 PolarHBondContact O-N 3.25Å; V224-Q227 PolarHBondContact O-N 3.03Å; V224-V228 WeakPolarHBondContact O-CG2 3.24Å; V224-V228 PolarHBondContact O-N 3.3Å
225L91.6Very high86.6Confident0 Ų044.6 Ų44.60%022%0.22CC..Hα-helixtrans-63.6-35.2178.2-68.6169.5000112.3I44 I56 M129 L215 V220 E221 H222 V228 G229I44-L225 HydrophobicContact CG2-CB 3.86Å; I56-L225 HydrophobicContact CG2-CD2 4.25Å; M129-L225 HydrophobicContact SD-CD2 4.42Å; L215-L225 HydrophobicContact CD1-CD2 4.5Å; L215-L225 HydrophobicContact CD2-CB 4.21Å; L215-L225 HydrophobicContact CD2-CD2 4.01Å; L215-L225 HydrophobicContact CG-CD2 4.18Å; V220-L225 HydrophobicContact CB-CD1 4.09Å; V220-L225 HydrophobicContact CB-CG 4.3Å; V220-L225 HydrophobicContact CG1-CD1 4.13Å; V220-L225 HydrophobicContact CG1-CD2 4.11Å; V220-L225 HydrophobicContact CG1-CG 3.79Å; E221-L225 PolarHBondContact O-N 2.9Å; H222-L225 PolarHBondContact O-N 3.39Å; L225-V228 PolarHBondContact O-N 2.98Å; L225-G229 PolarHBondContact O-N 3.28Å
226K91.4Very high85.4Confident84 Ų8447.9 Ų47.937%0.36523%0.232SC..Hα-helixtrans-61.5-48.4175-171.7178.1174.7-179.60111.8L38 I44 H222 S223 V224 V228 G229 E230L38-K226 HydrophobicContact CD2-CG 4.14Å; I44-K226 HydrophobicContact CD1-CB 4.42Å; I44-K226 HydrophobicContact CD1-CG 4.49Å; H222-K226 WeakPolarHBondContact O-CB 3.43Å; H222-K226 PolarHBondContact O-N 3Å; S223-K226 WeakPolarHBondContact O-CB 3.46Å; S223-K226 PolarHBondContact O-N 2.6Å; V224-K226 VanDerWaalsContact C-N 3.27Å; V224-K226 PolarHBondContact O-N 3.25Å; K226-V228 VanDerWaalsContact C-N 3.3Å; K226-V228 PolarHBondContact O-N 2.88Å; K226-G229 PolarHBondContact O-N 3.41Å; K226-E230 WeakPolarHBondContact CE-OE1 3.49Å; K226-E230 WeakPolarHBondContact O-CB 3.4Å; K226-E230 WeakPolarHBondContact O-CG 3.39Å; K226-E230 PolarHBondContact O-N 2.92Å
227Q89.3Confident84.3Confident112 Ų11250.7 Ų50.752%0.52326%0.261SS..Hα-helixtrans-58.8-43.8176.8-71.3174.80.500111.4S223 V224 E230 Q231S223-Q227 WeakPolarHBondContact O-CG 3.46Å; S223-Q227 PolarHBondContact O-N 3.23Å; V224-Q227 PolarHBondContact O-N 3.03Å; Q227-E230 PolarHBondContact O-N 3.46Å; Q227-Q231 WeakPolarHBondContact O-CB 3.46Å; Q227-Q231 VanDerWaalsContact O-CG 3.3Å; Q227-Q231 WeakPolarHBondContact O-CG 3.36Å; Q227-Q231 PolarHBondContact O-N 3.38Å
228V86.3Confident83.2Confident12 Ų1252.6 Ų52.67%0.07328%0.281CS..Hα-helixtrans-63.9-46.2179174.20000111.3M129 I133 L215 V224 L225 K226 E230 Q231 F232M129-V228 HydrophobicContact CE-CB 4.45Å; M129-V228 HydrophobicContact CE-CG1 4.45Å; M129-V228 HydrophobicContact CE-CG2 3.31Å; M129-V228 HydrophobicContact CG-CG1 3.91Å; M129-V228 HydrophobicContact CG-CG2 4.46Å; M129-V228 HydrophobicContact SD-CB 4.03Å; M129-V228 HydrophobicContact SD-CG1 3.68Å; M129-V228 HydrophobicContact SD-CG2 3.48Å; M129-V228 WeakPolarHBondContact SD-CG2 3.31Å; I133-V228 HydrophobicContact CD1-CG1 3.45Å; I133-V228 VanDerWaalsContact CD1-CG1 3.45Å; I133-V228 HydrophobicContact CG1-CG1 4.37Å; L215-V228 HydrophobicContact CD2-CG1 4.37Å; V224-V228 WeakPolarHBondContact O-CG2 3.24Å; V224-V228 PolarHBondContact O-N 3.3Å; L225-V228 PolarHBondContact O-N 2.98Å; K226-V228 VanDerWaalsContact C-N 3.3Å; K226-V228 PolarHBondContact O-N 2.88Å; V228-E230 VanDerWaalsContact C-N 3.32Å; V228-E230 PolarHBondContact O-N 3.44Å; V228-Q231 PolarHBondContact O-N 3.08Å; V228-F232 HydrophobicContact CG1-CD2 4.23Å; V228-F232 WeakPolarHBondContact O-CB 3.31Å; V228-F232 PolarHBondContact O-N 3.41Å
229G83.3Confident82.1Confident0 Ų056.5 Ų56.50%031%0.313CS..Hα-helixtrans-61.8-39.217800000112.9L225 K226 L233L225-G229 PolarHBondContact O-N 3.28Å; K226-G229 PolarHBondContact O-N 3.41Å; G229-L233 PolarHBondContact O-N 3.15Å
230E85Confident81.1Confident92 Ų9258 Ų5843%0.4333%0.329SS..Hα-helixtrans-68.2-40.5177.9-74.3174.9176.300112.4L38 K226 Q227 V228L38-E230 HydrophobicContact CD1-CB 4.42Å; L38-E230 HydrophobicContact CD1-CG 3.67Å; L38-E230 HydrophobicContact CD2-CG 3.75Å; L38-E230 HydrophobicContact CG-CG 4.37Å; K226-E230 WeakPolarHBondContact CE-OE1 3.49Å; K226-E230 WeakPolarHBondContact O-CB 3.4Å; K226-E230 WeakPolarHBondContact O-CG 3.39Å; K226-E230 PolarHBondContact O-N 2.92Å; Q227-E230 PolarHBondContact O-N 3.46Å; V228-E230 VanDerWaalsContact C-N 3.32Å; V228-E230 PolarHBondContact O-N 3.44Å
231Q80.1Confident80Confident133 Ų13360.1 Ų60.162%0.62135%0.347SS*.Hα-helixtrans-83.5-40.5-174.2-70.2177.20.800113.5Q227 V228Q227-Q231 WeakPolarHBondContact O-CB 3.46Å; Q227-Q231 VanDerWaalsContact O-CG 3.3Å; Q227-Q231 WeakPolarHBondContact O-CG 3.36Å; Q227-Q231 PolarHBondContact O-N 3.38Å; V228-Q231 PolarHBondContact O-N 3.08Å
232F73.3Confident79Confident92 Ų9261 Ų6140%0.40436%0.364SS..Hα-helixtrans-118.2-24.9-162.5-63.6-74.5000114.9I133 V228 I235I133-F232 HydrophobicContact CD1-CB 3.59Å; I133-F232 HydrophobicContact CD1-CD2 3.92Å; I133-F232 HydrophobicContact CD1-CG 3.79Å; I133-F232 HydrophobicContact CG1-CB 4.24Å; I133-F232 HydrophobicContact CG2-CB 3.7Å; I133-F232 HydrophobicContact CG2-CG 4.36Å; V228-F232 HydrophobicContact CG1-CD2 4.23Å; V228-F232 WeakPolarHBondContact O-CB 3.31Å; V228-F232 PolarHBondContact O-N 3.41Å; F232-I235 WeakPolarHBondContact O-CD1 3.38Å; F232-I235 VanDerWaalsContact O-CG1 3.29Å; F232-I235 WeakPolarHBondContact O-CG1 3.41Å
233L72.6Confident78.1Confident3 Ų361.5 Ų61.52%0.01637%0.374CS..SBendtrans-101-2.1-179-65.8179.3000113L42 V58 I133 T137 M213 L215 G229 I235L42-L233 HydrophobicContact CD1-CD1 4.46Å; L42-L233 HydrophobicContact CD2-CB 3.71Å; L42-L233 HydrophobicContact CD2-CD1 4.04Å; V58-L233 HydrophobicContact CG2-CD1 4.43Å; I133-L233 HydrophobicContact CG1-CD2 4.4Å; T137-L233 HydrophobicContact CG2-CD2 3.5Å; M213-L233 HydrophobicContact CE-CD2 4Å; L215-L233 HydrophobicContact CB-CD1 4.08Å; L215-L233 HydrophobicContact CD1-CD1 4.19Å; L215-L233 HydrophobicContact CD2-CD1 4.03Å; L215-L233 HydrophobicContact CG-CD1 4.32Å; G229-L233 PolarHBondContact O-N 3.15Å; L233-I235 PolarHBondContact O-N 3.49Å
234N63Low77.9Confident82 Ų8261.9 Ų61.944%0.43938%0.38SS..THydrogen-bonded Turntrans-83.615.4175.7-163.716.9000113.9S40S40-N234 WeakPolarHBondContact CB-OD1 3.44Å
235I64.4Low77.9Confident108 Ų10866.9 Ų66.955%0.55440%0.399SS*.THydrogen-bonded Turntrans-74.5-29.8-170.4-59.5172.6000112.1F232 L233F232-I235 WeakPolarHBondContact O-CD1 3.38Å; F232-I235 VanDerWaalsContact O-CG1 3.29Å; F232-I235 WeakPolarHBondContact O-CG1 3.41Å; L233-I235 PolarHBondContact O-N 3.49Å
236R71.1Confident78.1Confident72 Ų7267.1 Ų67.127%0.27240%0.401SS..SBendtrans-127.981.1-177-62.6-174.7-170.9-170.93.4111Q205 T209 S210Q205-R236 VanDerWaalsContact CA-NH1 3.32Å; Q205-R236 VanDerWaalsContact CG-NH1 3.26Å; T209-R236 VanDerWaalsContact CA-O 3.29Å; T209-R236 WeakPolarHBondContact CA-O 3.44Å; T209-R236 WeakPolarHBondContact CB-O 3.45Å; S210-R236 PolarHBondContact N-O 2.99Å; S210-R236 PolarHBondContact OG-O 3.2Å
237G71.8Confident78.3Confident58 Ų5867.5 Ų67.560%0.59841%0.406SS*.  trans-65150.8171.900000112.2
238G72.3Confident78.7Confident41 Ų4163.9 Ų63.942%0.42339%0.388SS..SBendtrans131.6157174.600000113.4T209 A211 G240T209-G238 VanDerWaalsContact CB-O 3.32Å; T209-G238 WeakPolarHBondContact CB-O 3.25Å; T209-G238 PolarHBondContact OG1-O 3.42Å; A211-G238 WeakPolarHBondContact CB-O 3.35Å; G238-G240 PolarHBondContact O-N 2.94Å; G238-G240 VanDerWaalsContact O-N 3.16Å
239A72.4Confident79.2Confident85 Ų8568.6 Ų68.670%0.70240%0.404SS*.  trans-64.8-16.9179.500000113.3R212R212-A239 WeakPolarHBondContact CD-O 3.43Å
240G71.3Confident79.7Confident31 Ų3168.7 Ų68.732%0.3241%0.406SS..  trans69.7-176.7-171.700000112.3N206 G238 S242N206-G240 WeakPolarHBondContact O-CA 3.48Å; G238-G240 PolarHBondContact O-N 2.94Å; G238-G240 VanDerWaalsContact O-N 3.16Å; G240-S242 PolarHBondContact O-N 3.28Å
241A71.1Confident80.2Confident49 Ų4965.4 Ų65.441%0.40540%0.397SS..PPolyproline II helixtrans-63.4125.317600000111.6N206 R212 G243N206-A241 PolarHBondContact O-N 3.34Å; R212-A241 PolarHBondContact NH1-O 3.02Å; A241-G243 PolarHBondContact O-N 3Å
242S70.4Confident81Confident122 Ų12262 Ų6285%0.85338%0.381SS*.PPolyproline II helixtrans-66.2119.7172-175.40000109.2G240G240-S242 PolarHBondContact O-N 3.28Å
243G75.6Confident82.1Confident28 Ų2859.8 Ų59.829%0.28937%0.374SS..PPolyproline II helixtrans-63.1137.8174.600000110.9A241A241-G243 PolarHBondContact O-N 3Å
244A88Confident83.2Confident55 Ų5562.7 Ų62.746%0.45539%0.385SS..PPolyproline II helixtrans-63.6140.4172.700000110.1R65R65-A244 PolarHBondContact NH2-O 3.38Å
245K92.4Very high84.7Confident146 Ų14662 Ų6264%0.63538%0.381SS*.PPolyproline II helixtrans-63.8135174.8-170.6178.4-178.5175.20110N179 L247 D327N179-K245 PolarHBondContact ND2-O 3.47Å; N179-K245 PolarHBondContact OD1-O 2.86Å; K245-L247 PolarHBondContact O-N 3.31Å; K245-D327 VanDerWaalsContact CA-OD2 3.22Å; K245-D327 WeakPolarHBondContact CA-OD2 3.35Å; K245-D327 VanDerWaalsContact CG-OD2 3.27Å; K245-D327 WeakPolarHBondContact CG-OD2 3.46Å
246A95.1Very high85.9Confident5 Ų561.9 Ų61.94%0.04139%0.39CS..PPolyproline II helixtrans-69.8125.5179.900000111.3Y177 L181 D327Y177-A246 HydrophobicContact CD1-CB 4.04Å; Y177-A246 HydrophobicContact CE1-CB 3.94Å; L181-A246 HydrophobicContact CD1-CB 3.6Å; L181-A246 HydrophobicContact CG-CB 3.94Å; A246-D327 PolarHBondContact N-OD2 2.94Å
247L96.4Very high86.8Confident92 Ų9261.4 Ų61.448%0.48240%0.398SS..  trans-108.2103.1178.2-60.8177.4000110.2Y177 K178 N179 K245Y177-L247 WeakPolarHBondContact CA-O 3.38Å; K178-L247 HydrophobicContact CB-CB 4.33Å; K178-L247 PolarHBondContact N-O 2.81Å; N179-L247 WeakPolarHBondContact OD1-CB 3.2Å; N179-L247 PolarHBondContact OD1-N 2.86Å; K245-L247 PolarHBondContact O-N 3.31Å
248Y97.3Very high87.4Confident36 Ų3667.4 Ų67.414%0.14142%0.415CS..BIsolated β-bridgetrans-70.9134173.5-174.6-96.2000110.5A176 Y177 V267 S268 Q269 L330 K430 T432A176-Y248 HydrophobicContact CB-CD2 4.08Å; A176-Y248 HydrophobicContact CB-CE2 3.75Å; A176-Y248 CarbonylContact O-C 3.56Å; A176-Y248 WeakPolarHBondContact O-CA 3.23Å; A176-Y248 WeakPolarHBondContact O-CD2 3.24Å; Y177-Y248 HydrophobicContact CE1-CD2 4.16Å; Y248-V267 PolarHBondContact OH-O 2.92Å; Y248-S268 WeakPolarHBondContact OH-CA 3.47Å; Y248-Q269 HydrophobicContact CD1-CB 3.77Å; Y248-Q269 HydrophobicContact CD2-CB 3.96Å; Y248-Q269 HydrophobicContact CD2-CG 4.42Å; Y248-Q269 HydrophobicContact CE1-CB 4.09Å; Y248-Q269 HydrophobicContact CE2-CB 4.27Å; Y248-Q269 HydrophobicContact CG-CB 3.69Å; Y248-Q269 HydrophobicContact CG-CG 4.11Å; Y248-L330 HydrophobicContact CD2-CD2 4.01Å; Y248-L330 HydrophobicContact CE2-CD2 3.68Å; Y248-K430 HydrophobicContact CE1-CB 4.24Å; Y248-K430 VanDerWaalsContact CE1-O 3.23Å; Y248-K430 WeakPolarHBondContact CE1-O 3.49Å; Y248-K430 PolarHBondContact OH-O 2.88Å; Y248-T432 VanDerWaalsContact CZ-OG1 3.29Å; Y248-T432 PolarHBondContact OH-N 2.87Å; Y248-T432 PolarHBondContact OH-OG1 2.96Å
249R95.6Very high88.1Confident110 Ų11067.4 Ų67.442%0.41541%0.409SS..  trans-123.3-17.6-179.458.6149.4-178.7166.2-0.3115.2A174 A175 A176 K178 K430A174-R249 PolarHBondContact O-NH2 3Å; A174-R249 VanDerWaalsContact O-NH2 3.13Å; A175-R249 WeakPolarHBondContact O-CG 3.26Å; A175-R249 PolarHBondContact O-NE 2.73Å; A176-R249 WeakPolarHBondContact O-CG 3.37Å; A176-R249 PolarHBondContact O-N 2.84Å; K178-R249 HydrophobicContact CD-CB 4.22Å; K178-R249 HydrophobicContact CG-CB 3.7Å; K178-R249 HydrophobicContact CG-CG 3.74Å; R249-K430 WeakPolarHBondContact O-CD 3.43Å; R249-K430 WeakPolarHBondContact O-CE 3.41Å; R249-K430 PolarHBondContact O-NZ 2.94Å
250G95.1Very high88.8Confident3 Ų366.1 Ų66.13%0.03140%0.404CS..  trans73170.5-164.600000112.5A175 A176 K431 T432A175-G250 VanDerWaalsContact O-O 3.12Å; A176-G250 PolarHBondContact O-N 3.21Å; G250-K431 WeakPolarHBondContact CA-O 3.48Å; G250-T432 VanDerWaalsContact CA-OG1 3.25Å; G250-T432 WeakPolarHBondContact CA-OG1 3.48Å
251G95.9Very high89.9Confident23 Ų2368.3 Ų68.324%0.23741%0.408CS..EExtended strand (participates in β ladder)trans153.5178.3174.800000113.3K431 T432 M433G251-K431 PolarHBondContact N-O 3.05Å; G251-T432 CarbonylContact O-C 2.84Å; G251-T432 WeakPolarHBondContact O-CA 3.45Å; G251-T432 WeakPolarHBondContact O-CG2 3.48Å; G251-M433 PolarHBondContact O-N 3.09Å
252E96.4Very high91.1Very high61 Ų6166 Ų6629%0.28539%0.388SS..EExtended strand (participates in β ladder)trans-134.9137.1179-170.3174.2171.900110.4R254 M433 F444 V445E252-R254 HydrophobicContact CG-CG 4.16Å; E252-R254 VanDerWaalsContact OE1-CD 3.27Å; E252-R254 WeakPolarHBondContact OE1-CD 3.18Å; E252-R254 WeakPolarHBondContact OE1-CG 3.36Å; E252-R254 IonicContact OE1-CZ 3.89Å; E252-R254 IonicContact OE1-NE 2.68Å; E252-R254 IonicContact OE1-NH1 2.93Å; E252-R254 PolarHBondContact OE1-NH1 3.1Å; E252-M433 CarbonylContact C-O 3.48Å; E252-M433 VanDerWaalsContact CA-O 3.29Å; E252-M433 WeakPolarHBondContact CA-O 2.99Å; E252-M433 HydrophobicContact CG-CB 4.4Å; E252-F444 WeakPolarHBondContact OE1-CD1 3.5Å; E252-V445 HydrophobicContact CB-CB 4.43Å; E252-V445 HydrophobicContact CB-CG2 3.72Å; E252-V445 HydrophobicContact CG-CG2 3.82Å; E252-V445 PolarHBondContact OE2-N 3.29Å; E252-V445 VanDerWaalsContact OE2-N 3.12Å
253V96.7Very high92.4Very high45 Ų4561 Ų6127%0.27335%0.352SS..EExtended strand (participates in β ladder)trans-130.6132.7169.5174.90000109.4A171 A175 L255 M433 A434 S435A171-V253 HydrophobicContact CB-CB 4.35Å; A171-V253 HydrophobicContact CB-CG1 3.91Å; A175-V253 HydrophobicContact CB-CG2 3.67Å; V253-L255 HydrophobicContact CG1-CD2 3.87Å; V253-L255 HydrophobicContact CG1-CG 4.15Å; V253-M433 PolarHBondContact N-O 3.14Å; V253-A434 VanDerWaalsContact O-CA 3.29Å; V253-A434 WeakPolarHBondContact O-CA 3.27Å; V253-S435 PolarHBondContact O-N 2.51Å
254R95.8Very high93.4Very high65 Ų6559.8 Ų59.825%0.24534%0.338CS..EExtended strand (participates in β ladder)trans-123.4114-178.6-64-17684.194.1-11.4109.2E252 L439 T442 P443E252-R254 HydrophobicContact CG-CG 4.16Å; E252-R254 VanDerWaalsContact OE1-CD 3.27Å; E252-R254 WeakPolarHBondContact OE1-CD 3.18Å; E252-R254 WeakPolarHBondContact OE1-CG 3.36Å; E252-R254 IonicContact OE1-CZ 3.89Å; E252-R254 IonicContact OE1-NE 2.68Å; E252-R254 IonicContact OE1-NH1 2.93Å; E252-R254 PolarHBondContact OE1-NH1 3.1Å; R254-L439 HydrophobicContact CB-CD1 3.61Å; R254-L439 HydrophobicContact CG-CD1 4.14Å; R254-L439 PolarHBondContact NH2-O 3.32Å; R254-T442 PolarHBondContact NH2-O 3.22Å; R254-P443 PolarHBondContact NH1-O 3.39Å
255L93.9Very high93.9Very high67 Ų6757.1 Ų57.135%0.35132%0.317SS..EExtended strand (participates in β ladder)trans-103.685.4-178.8-56.9177.7000109.2A171 V253 S257 S435 S436 G437A171-L255 HydrophobicContact CB-CD1 3.95Å; V253-L255 HydrophobicContact CG1-CD2 3.87Å; V253-L255 HydrophobicContact CG1-CG 4.15Å; L255-S257 PolarHBondContact O-N 2.96Å; L255-S435 PolarHBondContact N-O 3.36Å; L255-S436 VanDerWaalsContact O-CA 3.23Å; L255-S436 WeakPolarHBondContact O-CA 3.34Å; L255-S436 PolarHBondContact O-OG 3.21Å; L255-G437 PolarHBondContact O-N 3.27Å; L255-G437 VanDerWaalsContact O-N 3.09Å
256S90.4Very high94.2Very high106 Ų10650.3 Ų50.374%0.74129%0.287SS*.EExtended strand (participates in β ladder)trans-63.8131.4179.7-63.10000111.5
257S88.4Confident94.3Very high62 Ų6250 Ų5043%0.43429%0.285SS..  trans-144.1158.7178.5168.40000110.4L255 S259 G437L255-S257 PolarHBondContact O-N 2.96Å; S257-S259 PolarHBondContact O-N 2.82Å; S257-S259 PolarHBondContact OG-N 3.14Å; S257-G437 PolarHBondContact N-O 3.21Å; S257-G437 CarbonylContact O-C 3.56Å; S257-G437 VanDerWaalsContact O-C 3.26Å
258L84.2Confident94.4Very high183 Ų18345.7 Ų45.796%0.95826%0.262SS*.SBendtrans-76.32.2176.2-60.8175.5000113.2
259S87.7Confident94.4Very high41 Ų4147.5 Ų47.529%0.28727%0.272SS..  trans-57.8135.7175.11790000111.9S257 L261S257-S259 PolarHBondContact O-N 2.82Å; S257-S259 PolarHBondContact OG-N 3.14Å; S259-L261 PolarHBondContact O-N 3.16Å; S259-L261 PolarHBondContact OG-N 2.73Å; S259-L261 VanDerWaalsContact OG-N 3.13Å; S259-L261 PolarHBondContact OG-O 3.15Å; S259-L261 VanDerWaalsContact OG-O 3.06Å
260G87.7Confident94.4Very high58 Ų5842.4 Ų42.460%0.59825%0.253SS*.SBendtrans-72.3-13.6171.800000113.8
261L94.3Very high94.4Very high77 Ų7742.5 Ų42.540%0.40325%0.254SS..EExtended strand (participates in β ladder)trans-101.8141.4174.5-61.6178.4000110.6S259 I336 S337S259-L261 PolarHBondContact O-N 3.16Å; S259-L261 PolarHBondContact OG-N 2.73Å; S259-L261 VanDerWaalsContact OG-N 3.13Å; S259-L261 PolarHBondContact OG-O 3.15Å; S259-L261 VanDerWaalsContact OG-O 3.06Å; L261-I336 HydrophobicContact CB-CG2 4.28Å; L261-I336 HydrophobicContact CD1-CG2 4.22Å; L261-S337 CarbonylContact C-O 3.47Å; L261-S337 WeakPolarHBondContact CA-O 3.47Å
262V96.5Very high94.4Very high0 Ų042.5 Ų42.50%025%0.251CS..EExtended strand (participates in β ladder)trans-104.9122.5171.5175.80000108.3I336 S337 A339 A342 S436 N438 L439V262-I336 WeakPolarHBondContact O-CA 3.38Å; V262-S337 PolarHBondContact N-O 2.78Å; V262-S337 PolarHBondContact O-N 2.64Å; V262-A339 HydrophobicContact CG2-CB 4.15Å; V262-A342 HydrophobicContact CB-CB 4.08Å; V262-A342 HydrophobicContact CG1-CB 4.03Å; V262-A342 HydrophobicContact CG2-CB 4.19Å; V262-S436 CarbonylContact C-O 3.48Å; V262-S436 WeakPolarHBondContact CA-O 3.49Å; V262-N438 WeakPolarHBondContact CG2-O 3.03Å; V262-L439 HydrophobicContact CG1-CD2 3.85Å; V262-L439 HydrophobicContact CG2-CD2 4.48Å
263H97.1Very high94.2Very high19 Ų1941.9 Ų41.99%0.08826%0.257CS..EExtended strand (participates in β ladder)trans-100.9124170.7-64.1-101.1000107.7V168 Y334 T335 S435 S436V168-H263 HydrophobicContact CG2-CB 3.9Å; H263-Y334 HydrophobicContact CB-CE2 4.43Å; H263-Y334 WeakPolarHBondContact CB-OH 3.47Å; H263-Y334 AromaticContact ND1-CZ 3.81Å; H263-Y334 PolarHBondContact ND1-OH 3.06Å; H263-T335 CarbonylContact C-O 3.59Å; H263-T335 WeakPolarHBondContact CA-O 3.39Å; H263-S435 CarbonylContact O-C 3.59Å; H263-S435 WeakPolarHBondContact O-CA 3.39Å; H263-S436 PolarHBondContact N-O 3.29Å; H263-S436 PolarHBondContact O-N 3.01Å
264S97.3Very high93.8Very high1 Ų143.5 Ų43.51%0.00728%0.282CS..EExtended strand (participates in β ladder)trans-134134.6178.5-65.60000111.2Y334 T335 A434 S435S264-Y334 CarbonylContact O-C 3.38Å; S264-Y334 WeakPolarHBondContact O-CA 3.24Å; S264-T335 PolarHBondContact N-O 2.77Å; S264-T335 PolarHBondContact O-N 3.42Å; S264-T335 PolarHBondContact O-OG1 3.34Å; S264-A434 CarbonylContact C-O 3.53Å; S264-A434 WeakPolarHBondContact CA-O 3.36Å; S264-S435 WeakPolarHBondContact CB-OG 3.36Å; S264-S435 WeakPolarHBondContact OG-CB 3.46Å; S264-S435 PolarHBondContact OG-OG 3.29Å
265A97.9Very high93.7Very high0 Ų042.9 Ų42.90%029%0.286CS..EExtended strand (participates in β ladder)trans-117.8127.9171.900000108.9V168 L172 V333 Y334 M433 A434V168-A265 HydrophobicContact CG1-CB 3.67Å; L172-A265 HydrophobicContact CD1-CB 4.04Å; L172-A265 HydrophobicContact CD2-CB 3.87Å; L172-A265 HydrophobicContact CG-CB 4.49Å; A265-V333 WeakPolarHBondContact CA-O 3.37Å; A265-Y334 HydrophobicContact CB-CD2 3.97Å; A265-M433 CarbonylContact O-C 3.6Å; A265-M433 WeakPolarHBondContact O-CA 3.3Å; A265-A434 PolarHBondContact N-O 3.11Å; A265-A434 PolarHBondContact O-N 2.96Å
266V98.2Very high93.8Very high2 Ų242.4 Ų42.41%0.01230%0.297CS..EExtended strand (participates in β ladder)trans-120.7120.4172.3-176.70000108.5G332 V333 V346 L350 K431 T432 M433 I448V266-G332 CarbonylContact O-C 3.58Å; V266-G332 WeakPolarHBondContact O-CA 3.48Å; V266-V333 HydrophobicContact CB-CG2 4.31Å; V266-V333 PolarHBondContact N-O 3.14Å; V266-V333 PolarHBondContact O-N 3Å; V266-V346 HydrophobicContact CG2-CG1 4.04Å; V266-L350 HydrophobicContact CB-CD2 4.16Å; V266-L350 HydrophobicContact CG1-CD1 4.3Å; V266-L350 HydrophobicContact CG1-CD2 3.89Å; V266-K431 HydrophobicContact CG1-CD 4.27Å; V266-T432 WeakPolarHBondContact CA-O 3.29Å; V266-M433 HydrophobicContact CG2-CB 4.4Å; V266-M433 HydrophobicContact CG2-CG 3.94Å; V266-M433 HydrophobicContact CG2-SD 3.87Å; V266-I448 HydrophobicContact CG1-CD1 3.88Å; V266-I448 HydrophobicContact CG2-CD1 3.93Å
267V97.9Very high94Very high0 Ų041.2 Ų41.20%028%0.28CS..EExtended strand (participates in β ladder)trans-130.8163.3-176.4-58.50000113.2L172 Y248 F321 L330 F331 K431 T432L172-V267 HydrophobicContact CD1-CG1 4.46Å; L172-V267 HydrophobicContact CD1-CG2 3.79Å; L172-V267 HydrophobicContact CD2-CG1 3.7Å; L172-V267 HydrophobicContact CD2-CG2 4.03Å; L172-V267 HydrophobicContact CG-CG2 3.98Å; Y248-V267 PolarHBondContact OH-O 2.92Å; V267-F321 HydrophobicContact CG1-CE1 4.02Å; V267-F321 HydrophobicContact CG1-CE2 3.81Å; V267-F321 HydrophobicContact CG1-CZ 3.22Å; V267-L330 HydrophobicContact CG2-CD1 4.49Å; V267-L330 HydrophobicContact CG2-CD2 4.09Å; V267-F331 CarbonylContact C-O 3.57Å; V267-F331 VanDerWaalsContact CA-O 3.27Å; V267-F331 WeakPolarHBondContact CA-O 3.44Å; V267-F331 WeakPolarHBondContact CB-O 3.47Å; V267-K431 CarbonylContact O-C 3.58Å; V267-K431 WeakPolarHBondContact O-CA 3.44Å; V267-T432 PolarHBondContact N-O 3.07Å; V267-T432 PolarHBondContact O-N 2.81Å
268S97.5Very high94.4Very high0 Ų038.5 Ų38.50%026%0.261CS..EExtended strand (participates in β ladder)trans-131.8166.5163.584.30000110Y248 S270 F331 F426Y248-S268 WeakPolarHBondContact OH-CA 3.47Å; S268-S270 PolarHBondContact O-N 2.6Å; S268-F331 PolarHBondContact N-O 2.78Å; S268-F331 PolarHBondContact O-N 3.45Å; S268-F426 VanDerWaalsContact OG-CA 3.31Å; S268-F426 WeakPolarHBondContact OG-CA 3.05Å; S268-F426 VanDerWaalsContact OG-CD2 3.28Å; S268-F426 WeakPolarHBondContact OG-CD2 3.35Å
269Q97.3Very high95Very high74 Ų7432.3 Ų32.335%0.34623%0.229SC..EExtended strand (participates in β ladder)trans-63.1126.5171-166.7176.523.300111.4Y248 S328 G329Y248-Q269 HydrophobicContact CD1-CB 3.77Å; Y248-Q269 HydrophobicContact CD2-CB 3.96Å; Y248-Q269 HydrophobicContact CD2-CG 4.42Å; Y248-Q269 HydrophobicContact CE1-CB 4.09Å; Y248-Q269 HydrophobicContact CE2-CB 4.27Å; Y248-Q269 HydrophobicContact CG-CB 3.69Å; Y248-Q269 HydrophobicContact CG-CG 4.11Å; Q269-S328 PolarHBondContact NE2-OG 3.36Å; Q269-S328 VanDerWaalsContact NE2-OG 3.1Å; Q269-G329 WeakPolarHBondContact CA-O 3.26Å
270S96.1Very high95.5Very high3 Ų330.5 Ų30.52%0.02122%0.217CC..  trans-97.1-124.2174.269.40000111.3S268 H322 G329 L330 K425S268-S270 PolarHBondContact O-N 2.6Å; S270-H322 PolarHBondContact OG-CD2 3.15Å; S270-H322 PolarHBondContact OG-NE2 3.12Å; S270-G329 PolarHBondContact N-O 3.18Å; S270-G329 WeakPolarHBondContact OG-CA 3.32Å; S270-G329 PolarHBondContact OG-O 3.09Å; S270-L330 PolarHBondContact OG-N 3.44Å; S270-L330 VanDerWaalsContact OG-N 3.12Å; S270-K425 WeakPolarHBondContact O-CE 3.35Å; S270-K425 PolarHBondContact O-NZ 2.89Å
271A95.9Very high96Very high5 Ų527.8 Ų27.84%0.04119%0.188CC..  trans-131.9159-173.500000111.1E277 A278 F281 S328 G329A271-E277 HydrophobicContact CB-CB 3.75Å; A271-E277 HydrophobicContact CB-CG 3.74Å; A271-E277 WeakPolarHBondContact CB-OE2 3.17Å; A271-A278 HydrophobicContact CB-CB 4.13Å; A271-F281 HydrophobicContact CB-CD2 4.22Å; A271-F281 HydrophobicContact CB-CE2 4.36Å; A271-S328 CarbonylContact O-C 3.53Å; A271-G329 WeakPolarHBondContact O-CA 3.41Å; A271-G329 PolarHBondContact O-N 3.06Å
272A95Very high96.1Very high23 Ų2325.3 Ų25.319%0.1918%0.177CC..  trans-69.7148.4174.600000111.2T275 A278 Y325A272-T275 HydrophobicContact CB-CG2 4.26Å; A272-T275 WeakPolarHBondContact O-CB 3.43Å; A272-T275 WeakPolarHBondContact O-CG2 3.28Å; A272-T275 PolarHBondContact O-N 3.42Å; A272-T275 PolarHBondContact O-OG1 3.1Å; A272-A278 VanDerWaalsContact O-CB 3.25Å; A272-A278 WeakPolarHBondContact O-CB 3.18Å; A272-Y325 CarbonylContact C-O 3.53Å; A272-Y325 WeakPolarHBondContact CA-O 3.34Å
273A92.4Very high96.1Very high49 Ų4925.3 Ų25.341%0.40518%0.177SC..THydrogen-bonded Turntrans-55.1150.8173.500000111.3T275 Y325A273-T275 PolarHBondContact O-N 2.88Å; A273-Y325 PolarHBondContact N-O 3.39Å
274G89.1Confident96.1Very high78 Ų7824.4 Ų24.480%0.80417%0.173SC*.THydrogen-bonded Turntrans77.8-7.9-178.500000115.4
275T94Very high96.1Very high53 Ų5326.6 Ų26.633%0.32518%0.183SC..SBendtrans-86.9149.9177.567.40000112.6A272 A273 E277 A278 L279A272-T275 HydrophobicContact CB-CG2 4.26Å; A272-T275 WeakPolarHBondContact O-CB 3.43Å; A272-T275 WeakPolarHBondContact O-CG2 3.28Å; A272-T275 PolarHBondContact O-N 3.42Å; A272-T275 PolarHBondContact O-OG1 3.1Å; A273-T275 PolarHBondContact O-N 2.88Å; T275-E277 PolarHBondContact O-N 2.68Å; T275-A278 PolarHBondContact O-N 2.73Å; T275-A278 VanDerWaalsContact O-N 3.08Å; T275-A278 PolarHBondContact OG1-N 2.88Å; T275-A278 VanDerWaalsContact OG1-N 3.16Å; T275-L279 PolarHBondContact O-N 3.15Å
276G94.9Very high95.9Very high56 Ų5627.6 Ų27.658%0.57719%0.188SC*.Hα-helixtrans-59.6-28.5171.900000113.1L279 A280G276-L279 PolarHBondContact O-N 2.81Å; G276-A280 PolarHBondContact O-N 2.62Å
277E95.8Very high95.8Very high82 Ų8227.5 Ų27.538%0.38319%0.187SC..Hα-helixtrans-67.1-40.3174-167.9-176.8-163.500112A271 T275 L279 A280 F281 K425A271-E277 HydrophobicContact CB-CB 3.75Å; A271-E277 HydrophobicContact CB-CG 3.74Å; A271-E277 WeakPolarHBondContact CB-OE2 3.17Å; T275-E277 PolarHBondContact O-N 2.68Å; E277-L279 VanDerWaalsContact C-N 3.29Å; E277-L279 PolarHBondContact O-N 2.77Å; E277-A280 WeakPolarHBondContact O-CB 3.41Å; E277-A280 PolarHBondContact O-N 2.95Å; E277-A280 VanDerWaalsContact O-N 3.14Å; E277-F281 HydrophobicContact CG-CD2 4.15Å; E277-F281 HydrophobicContact CG-CE2 3.95Å; E277-F281 VanDerWaalsContact O-CD2 3.32Å; E277-F281 WeakPolarHBondContact O-CD2 3.39Å; E277-F281 PolarHBondContact O-N 2.81Å; E277-K425 WeakPolarHBondContact OE1-CD 3.24Å; E277-K425 WeakPolarHBondContact OE1-CE 3.28Å; E277-K425 IonicContact OE1-NZ 2.73Å; E277-K425 PolarHBondContact OE1-NZ 3.06Å; E277-K425 IonicContact OE2-NZ 3.8Å; E277-K425 PolarHBondContact OE2-NZ 3.14Å
278A95.9Very high95.6Very high5 Ų527.5 Ų27.54%0.04119%0.187CC..Hα-helixtrans-64.3-33.8174.900000112.5A271 A272 T275 F281 S282 H322A271-A278 HydrophobicContact CB-CB 4.13Å; A272-A278 VanDerWaalsContact O-CB 3.25Å; A272-A278 WeakPolarHBondContact O-CB 3.18Å; T275-A278 PolarHBondContact O-N 2.73Å; T275-A278 VanDerWaalsContact O-N 3.08Å; T275-A278 PolarHBondContact OG1-N 2.88Å; T275-A278 VanDerWaalsContact OG1-N 3.16Å; A278-F281 PolarHBondContact O-N 2.85Å; A278-S282 PolarHBondContact O-N 3.44Å; A278-S282 PolarHBondContact O-OG 2.71Å; A278-H322 PolarHBondContact O-CE1 2.77Å
279L96.7Very high95.3Very high52 Ų5228.1 Ų28.127%0.27219%0.194SC..Hα-helixtrans-65.4-41.9171-70.6176.1000111.5T275 G276 E277 F281 S282 V283 N410 V414T275-L279 PolarHBondContact O-N 3.15Å; G276-L279 PolarHBondContact O-N 2.81Å; E277-L279 VanDerWaalsContact C-N 3.29Å; E277-L279 PolarHBondContact O-N 2.77Å; L279-F281 VanDerWaalsContact C-N 3.33Å; L279-F281 PolarHBondContact O-N 3.42Å; L279-S282 WeakPolarHBondContact O-CB 3.4Å; L279-S282 PolarHBondContact O-N 3.05Å; L279-S282 VanDerWaalsContact O-N 3.11Å; L279-V283 WeakPolarHBondContact O-CG2 3.29Å; L279-V283 PolarHBondContact O-N 3.23Å; L279-N410 HydrophobicContact CD1-CB 3.85Å; L279-V414 HydrophobicContact CB-CG2 4.34Å
280A97.4Very high94.7Very high4 Ų427.3 Ų27.33%0.03320%0.2CC..Hα-helixtrans-60.4-41.1175.400000112.3G276 E277 V283 L284 V414 D418 A422G276-A280 PolarHBondContact O-N 2.62Å; E277-A280 WeakPolarHBondContact O-CB 3.41Å; E277-A280 PolarHBondContact O-N 2.95Å; E277-A280 VanDerWaalsContact O-N 3.14Å; A280-V283 PolarHBondContact O-N 3.27Å; A280-L284 WeakPolarHBondContact O-CB 3.4Å; A280-L284 PolarHBondContact O-N 3.24Å; A280-V414 HydrophobicContact CB-CG1 4.38Å; A280-D418 HydrophobicContact CB-CB 3.94Å; A280-A422 HydrophobicContact CB-CB 4.27Å
281F97.9Very high94Very high0 Ų027.8 Ų27.80%021%0.205CC..Hα-helixtrans-64.9-36.8172.4-83.7-71000113.2A271 E277 A278 L279 L284 Q285 H322 F331 A422 K425A271-F281 HydrophobicContact CB-CD2 4.22Å; A271-F281 HydrophobicContact CB-CE2 4.36Å; E277-F281 HydrophobicContact CG-CD2 4.15Å; E277-F281 HydrophobicContact CG-CE2 3.95Å; E277-F281 VanDerWaalsContact O-CD2 3.32Å; E277-F281 WeakPolarHBondContact O-CD2 3.39Å; E277-F281 PolarHBondContact O-N 2.81Å; A278-F281 PolarHBondContact O-N 2.85Å; L279-F281 VanDerWaalsContact C-N 3.33Å; L279-F281 PolarHBondContact O-N 3.42Å; F281-L284 HydrophobicContact CD1-CD2 4.16Å; F281-L284 HydrophobicContact CE1-CD2 4.45Å; F281-L284 WeakPolarHBondContact O-CB 3.35Å; F281-L284 PolarHBondContact O-N 2.88Å; F281-Q285 PolarHBondContact O-N 3.39Å; F281-H322 VanDerWaalsContact CB-CE1 3.46Å; F281-H322 WeakPolarHBondContact CB-CE1 3.41Å; F281-H322 VanDerWaalsContact CB-NE2 3.35Å; F281-H322 WeakPolarHBondContact CB-NE2 3.42Å; F281-H322 AromaticContact CG-NE2 3.92Å; F281-F331 HydrophobicContact CB-CD2 4.48Å; F281-F331 HydrophobicContact CD1-CB 3.59Å; F281-F331 AromaticContact CD1-CD1 3.95Å; F281-F331 HydrophobicContact CD1-CD1 3.95Å; F281-F331 AromaticContact CD1-CD2 3.73Å; F281-F331 HydrophobicContact CD1-CD2 3.73Å; F281-F331 HydrophobicContact CD1-CE2 4.41Å; F281-F331 AromaticContact CD1-CG 3.46Å; F281-F331 HydrophobicContact CD1-CG 3.46Å; F281-F331 VanDerWaalsContact CD1-CG 3.46Å; F281-F331 HydrophobicContact CE1-CB 3.81Å; F281-F331 AromaticContact CE1-CD1 3.95Å; F281-F331 HydrophobicContact CE1-CD1 3.95Å; F281-F331 AromaticContact CE1-CG 3.84Å; F281-F331 HydrophobicContact CE1-CG 3.84Å; F281-F331 HydrophobicContact CG-CB 4.41Å; F281-A422 HydrophobicContact CD1-CB 3.93Å; F281-A422 HydrophobicContact CD2-CB 4.21Å; F281-A422 HydrophobicContact CE1-CB 3.9Å; F281-A422 VanDerWaalsContact CE1-O 3.26Å; F281-A422 WeakPolarHBondContact CE1-O 3.35Å; F281-A422 HydrophobicContact CE2-CB 4.17Å; F281-A422 HydrophobicContact CG-CB 4.09Å; F281-A422 HydrophobicContact CZ-CB 4.02Å; F281-A422 WeakPolarHBondContact CZ-O 3.3Å; F281-K425 HydrophobicContact CE2-CD 4.15Å; F281-K425 HydrophobicContact CZ-CB 4.21Å; F281-K425 HydrophobicContact CZ-CD 4.01Å; F281-K425 HydrophobicContact CZ-CG 4.31Å
282S97.1Very high93.3Very high25 Ų2530.3 Ų30.318%0.17522%0.221CC..Hα-helixtrans-67-39.1176.5-54.90000111.3A278 L279 Q285 H286 H322A278-S282 PolarHBondContact O-N 3.44Å; A278-S282 PolarHBondContact O-OG 2.71Å; L279-S282 WeakPolarHBondContact O-CB 3.4Å; L279-S282 PolarHBondContact O-N 3.05Å; L279-S282 VanDerWaalsContact O-N 3.11Å; S282-Q285 WeakPolarHBondContact O-CB 3.45Å; S282-Q285 PolarHBondContact O-N 3.28Å; S282-H286 PolarHBondContact O-N 3.4Å; S282-H286 PolarHBondContact O-ND1 2.94Å; S282-H322 PolarHBondContact OG-ND1 3.29Å; S282-H322 VanDerWaalsContact OG-ND1 3.09Å
283V97.1Very high92.5Very high0 Ų033.6 Ų33.60%023%0.232CC..Hα-helixtrans-66.9-41.5171.4175.50000110.8L279 A280 Q285 H286 V287 L366 A369 K370 L373 I411 V414 V419L279-V283 WeakPolarHBondContact O-CG2 3.29Å; L279-V283 PolarHBondContact O-N 3.23Å; A280-V283 PolarHBondContact O-N 3.27Å; V283-Q285 VanDerWaalsContact C-N 3.32Å; V283-Q285 PolarHBondContact O-N 3.43Å; V283-H286 PolarHBondContact O-N 3.25Å; V283-V287 HydrophobicContact CG1-CG2 4.3Å; V283-V287 WeakPolarHBondContact O-CG2 3.38Å; V283-V287 PolarHBondContact O-N 3.42Å; V283-L366 HydrophobicContact CG1-CD1 3.61Å; V283-A369 HydrophobicContact CG1-CB 4.28Å; V283-K370 HydrophobicContact CG1-CG 4.42Å; V283-L373 HydrophobicContact CG2-CD2 3.72Å; V283-I411 HydrophobicContact CG2-CG2 4.44Å; V283-V414 HydrophobicContact CB-CG1 4.22Å; V283-V414 HydrophobicContact CG1-CG1 4.37Å; V283-V414 HydrophobicContact CG2-CB 4.2Å; V283-V414 HydrophobicContact CG2-CG1 4.08Å; V283-V414 HydrophobicContact CG2-CG2 4.09Å; V283-V419 HydrophobicContact CB-CG2 4.27Å; V283-V419 HydrophobicContact CG1-CG2 3.77Å
284L97.1Very high91.9Very high0 Ų036.3 Ų36.30%024%0.239CC..Hα-helixtrans-58.6-41.5176.4176.161.8000112.2A280 F281 H286 V287 L288 F331 V356 V419 A422 A423A280-L284 WeakPolarHBondContact O-CB 3.4Å; A280-L284 PolarHBondContact O-N 3.24Å; F281-L284 HydrophobicContact CD1-CD2 4.16Å; F281-L284 HydrophobicContact CE1-CD2 4.45Å; F281-L284 WeakPolarHBondContact O-CB 3.35Å; F281-L284 PolarHBondContact O-N 2.88Å; L284-H286 VanDerWaalsContact C-N 3.26Å; L284-H286 PolarHBondContact O-N 3.22Å; L284-V287 PolarHBondContact O-N 2.99Å; L284-L288 HydrophobicContact CD1-CD1 4.32Å; L284-L288 HydrophobicContact CD1-CG 4.23Å; L284-L288 HydrophobicContact CG-CD1 4.36Å; L284-L288 WeakPolarHBondContact O-CG 3.47Å; L284-L288 PolarHBondContact O-N 3.08Å; L284-F331 HydrophobicContact CB-CE2 4.37Å; L284-F331 HydrophobicContact CB-CZ 4.44Å; L284-F331 HydrophobicContact CD2-CD1 4.35Å; L284-F331 HydrophobicContact CD2-CE1 3.63Å; L284-F331 HydrophobicContact CD2-CE2 3.94Å; L284-F331 HydrophobicContact CD2-CZ 3.38Å; L284-F331 HydrophobicContact CG-CE1 4.27Å; L284-F331 HydrophobicContact CG-CE2 3.93Å; L284-F331 HydrophobicContact CG-CZ 3.53Å; L284-V356 HydrophobicContact CD1-CB 4.4Å; L284-V356 HydrophobicContact CD1-CG1 3.49Å; L284-V356 VanDerWaalsContact CD1-CG1 3.49Å; L284-V419 HydrophobicContact CB-CG1 4.16Å; L284-V419 HydrophobicContact CD1-CG1 3.79Å; L284-A422 HydrophobicContact CD2-CB 4.07Å; L284-A423 HydrophobicContact CD1-CB 4.07Å; L284-A423 HydrophobicContact CD2-CB 3.89Å
285Q96.5Very high91.1Very high48 Ų4842 Ų4222%0.22424%0.242CC..Hα-helixtrans-53.7-44.9173.1177.5-171.2-3100111.2F281 S282 V283 L288 G289 A320 H322 F331F281-Q285 PolarHBondContact O-N 3.39Å; S282-Q285 WeakPolarHBondContact O-CB 3.45Å; S282-Q285 PolarHBondContact O-N 3.28Å; V283-Q285 VanDerWaalsContact C-N 3.32Å; V283-Q285 PolarHBondContact O-N 3.43Å; Q285-L288 PolarHBondContact O-N 3.05Å; Q285-G289 PolarHBondContact O-N 3.35Å; Q285-A320 HydrophobicContact CB-CB 4.48Å; Q285-A320 HydrophobicContact CG-CB 4.09Å; Q285-A320 WeakPolarHBondContact CG-O 3.43Å; Q285-H322 HydrophobicContact CB-CB 4.45Å; Q285-H322 VanDerWaalsContact OE1-CB 3.27Å; Q285-H322 VanDerWaalsContact OE1-N 3.1Å; Q285-F331 HydrophobicContact CB-CE2 4.33Å
286H95Very high90.2Very high20 Ų2050.8 Ų50.89%0.09327%0.268CS..Hα-helixtrans-74.6-32.2-179.6-69.879.2000113S282 V283 L284 L288 G289 A369 L373 Q376S282-H286 PolarHBondContact O-N 3.4Å; S282-H286 PolarHBondContact O-ND1 2.94Å; V283-H286 PolarHBondContact O-N 3.25Å; L284-H286 VanDerWaalsContact C-N 3.26Å; L284-H286 PolarHBondContact O-N 3.22Å; H286-L288 VanDerWaalsContact C-N 3.34Å; H286-G289 PolarHBondContact O-N 3.32Å; H286-A369 HydrophobicContact CB-CB 3.85Å; H286-L373 WeakPolarHBondContact CE1-CD1 3.38Å; H286-Q376 PolarHBondContact NE2-OE1 2.82Å
287V95Very high89Confident1 Ų149.8 Ų49.81%0.00626%0.258CS..Hα-helixtrans-62.3-43.4172.6169.90000111V283 L284 K303 V356 V361 A369 V419V283-V287 HydrophobicContact CG1-CG2 4.3Å; V283-V287 WeakPolarHBondContact O-CG2 3.38Å; V283-V287 PolarHBondContact O-N 3.42Å; L284-V287 PolarHBondContact O-N 2.99Å; V287-K303 HydrophobicContact CG1-CD 4.15Å; V287-V356 HydrophobicContact CG1-CG2 4.46Å; V287-V361 HydrophobicContact CG1-CG1 3.98Å; V287-V361 HydrophobicContact CG1-CG2 3.78Å; V287-V361 HydrophobicContact CG2-CG1 4.48Å; V287-A369 HydrophobicContact CB-CB 4.25Å; V287-A369 HydrophobicContact CG2-CB 3.39Å; V287-V419 HydrophobicContact CG2-CG1 4.33Å
288L94.4Very high87.6Confident0 Ų051.8 Ų51.80%028%0.281CS..Hα-helixtrans-71.7-41.5176.9-71.6176.9000111.6L284 Q285 H286 S302 K303 L304 A320 F331 V353 V356L284-L288 HydrophobicContact CD1-CD1 4.32Å; L284-L288 HydrophobicContact CD1-CG 4.23Å; L284-L288 HydrophobicContact CG-CD1 4.36Å; L284-L288 WeakPolarHBondContact O-CG 3.47Å; L284-L288 PolarHBondContact O-N 3.08Å; Q285-L288 PolarHBondContact O-N 3.05Å; H286-L288 VanDerWaalsContact C-N 3.34Å; L288-S302 PolarHBondContact O-OG 2.72Å; L288-K303 PolarHBondContact O-N 3.47Å; L288-L304 HydrophobicContact CB-CD1 3.71Å; L288-L304 HydrophobicContact CB-CG 3.92Å; L288-L304 HydrophobicContact CD1-CD1 4.42Å; L288-L304 HydrophobicContact CD2-CD2 4.46Å; L288-L304 HydrophobicContact CD2-CG 4.2Å; L288-L304 PolarHBondContact O-N 3.03Å; L288-L304 VanDerWaalsContact O-N 3.16Å; L288-A320 HydrophobicContact CB-CB 3.71Å; L288-A320 HydrophobicContact CD1-CB 3.85Å; L288-A320 HydrophobicContact CG-CB 4.47Å; L288-F331 HydrophobicContact CD1-CE1 4.39Å; L288-F331 HydrophobicContact CD1-CZ 3.62Å; L288-V353 HydrophobicContact CD1-CG2 3.83Å; L288-V353 HydrophobicContact CD2-CG2 4.28Å; L288-V356 HydrophobicContact CD2-CG2 3.87Å
289G89.9Confident86Confident13 Ų1352 Ų5213%0.13428%0.284CS..  trans80.1-177178.300000113.8Q285 H286 A320Q285-G289 PolarHBondContact O-N 3.35Å; H286-G289 PolarHBondContact O-N 3.32Å; G289-A320 PolarHBondContact O-N 3.38Å; G289-A320 VanDerWaalsContact O-N 3.11Å
290A86.3Confident84.5Confident57 Ų5752 Ų5247%0.47130%0.297SS..EExtended strand (participates in β ladder)trans-144.8151.2-179.500000110.9S319A290-S319 WeakPolarHBondContact CB-OG 3.25Å
291G80.8Confident83.5Confident12 Ų1254.4 Ų54.412%0.12431%0.314CS..EExtended strand (participates in β ladder)trans142.9162.1158.800000115.2V305 V318G291-V305 WeakPolarHBondContact O-CG2 3.28Å; G291-V318 PolarHBondContact N-O 3.37Å
292P80.4Confident82.8Confident59 Ų5954.8 Ų54.838%0.38332%0.316SS..EExtended strand (participates in β ladder)trans-68145.4176.328.4-35.4000111.3I294 D317P292-I294 HydrophobicContact CB-CD1 4.15Å; P292-I294 HydrophobicContact CB-CG1 4.08Å; P292-I294 HydrophobicContact CG-CD1 3.66Å; P292-I294 HydrophobicContact CG-CG1 4.07Å; P292-I294 PolarHBondContact O-N 3.43Å; P292-D317 HydrophobicContact CB-CB 4.21Å; P292-D317 VanDerWaalsContact N-OD1 3.14Å
293H78.9Confident82.5Confident91 Ų9154.9 Ų54.942%0.42131%0.313SS..  trans-73.696.3172.8-172.171000110.5V305 F316H293-V305 HydrophobicContact CB-CG1 4.47Å; H293-F316 HydrophobicContact CB-CD1 3.94Å; H293-F316 HydrophobicContact CB-CD2 4.12Å; H293-F316 HydrophobicContact CB-CE1 3.53Å; H293-F316 HydrophobicContact CB-CE2 3.73Å; H293-F316 HydrophobicContact CB-CG 4.23Å; H293-F316 HydrophobicContact CB-CZ 3.42Å; H293-F316 VanDerWaalsContact CB-CZ 3.42Å; H293-F316 AromaticContact CG-CE1 3.66Å; H293-F316 AromaticContact CG-CZ 3.67Å; H293-F316 PolarHBondContact N-O 3.29Å; H293-F316 AromaticContact ND1-CZ 3.87Å
294I79.6Confident82.3Confident106 Ų10654.9 Ų54.954%0.54431%0.313SS..  trans-120128.7177.6-55.3174.9000108.4P292 R296 G297P292-I294 HydrophobicContact CB-CD1 4.15Å; P292-I294 HydrophobicContact CB-CG1 4.08Å; P292-I294 HydrophobicContact CG-CD1 3.66Å; P292-I294 HydrophobicContact CG-CG1 4.07Å; P292-I294 PolarHBondContact O-N 3.43Å; I294-R296 PolarHBondContact O-N 3.16Å; I294-G297 PolarHBondContact O-N 3.27Å
295K71.4Confident82Confident199 Ų19955.1 Ų55.187%0.86532%0.315SS*.THydrogen-bonded Turntrans-51-30.1-174.7-176.6173.5-178.6173.90114.7
296R76.7Confident81.7Confident236 Ų23657.2 Ų57.289%0.89133%0.325SS*.THydrogen-bonded Turntrans-124.526.8178.2-60.3-178.6-177-96.24112.1I294I294-R296 PolarHBondContact O-N 3.16Å
297G69.9Low81.5Confident35 Ų3556.6 Ų56.636%0.36132%0.323SS..SBendtrans-86.8165.5179.400000113.1I294 G299I294-G297 PolarHBondContact O-N 3.27Å; G297-G299 PolarHBondContact O-N 3.41Å
298S64.6Low81.4Confident124 Ų12456.5 Ų56.587%0.86732%0.323SS*.G310 helixtrans-72.5-7.1176.348.30000114.2G300S298-G300 PolarHBondContact O-N 2.91Å
299G63.4Low81.3Confident10 Ų1058.4 Ų58.410%0.10334%0.338CS..G310 helixtrans-79.5-3.9-176.300000116.1G297 S301 S302G297-G299 PolarHBondContact O-N 3.41Å; G299-S301 PolarHBondContact O-N 3.35Å; G299-S301 VanDerWaalsContact O-N 3.09Å; G299-S302 WeakPolarHBondContact O-CB 3.36Å; G299-S302 PolarHBondContact O-N 3.48Å
300G65.6Low81.4Confident53 Ų5366.3 Ų66.355%0.54637%0.369SS..G310 helixtrans-63-18.2-175.500000115.3S298 Q306S298-G300 PolarHBondContact O-N 2.91Å; G300-Q306 PolarHBondContact O-NE2 2.84Å
301S75.1Confident81.7Confident54 Ų5465.9 Ų65.938%0.37837%0.365SS..G310 helixtrans-91.7-7.117761.60000114.1G299G299-S301 PolarHBondContact O-N 3.35Å; G299-S301 VanDerWaalsContact O-N 3.09Å
302S84.9Confident82.1Confident7 Ų766.3 Ų66.35%0.04937%0.365CS..  trans-72.6128.7176.6162.10000110.6L288 G299 L304 V305 Q306L288-S302 PolarHBondContact O-OG 2.72Å; G299-S302 WeakPolarHBondContact O-CB 3.36Å; G299-S302 PolarHBondContact O-N 3.48Å; S302-L304 VanDerWaalsContact C-N 3.28Å; S302-L304 PolarHBondContact O-N 3.31Å; S302-L304 PolarHBondContact OG-N 2.88Å; S302-V305 PolarHBondContact O-N 2.8Å; S302-V305 PolarHBondContact OG-N 3.23Å; S302-Q306 WeakPolarHBondContact O-CB 3.45Å; S302-Q306 VanDerWaalsContact O-CG 3.28Å; S302-Q306 WeakPolarHBondContact O-CG 3.19Å; S302-Q306 PolarHBondContact O-N 3.35Å
303K89.9Confident82.5Confident28 Ų2868.8 Ų68.812%0.12239%0.391CS..Hα-helixtrans-62.2-37.5175.2-71.1-176-176.6-82.30111.5V287 L288 Q306 G307 V356 G360 D365V287-K303 HydrophobicContact CG1-CD 4.15Å; L288-K303 PolarHBondContact O-N 3.47Å; K303-Q306 PolarHBondContact O-N 3Å; K303-G307 PolarHBondContact O-N 2.91Å; K303-V356 HydrophobicContact CD-CG2 4.27Å; K303-G360 PolarHBondContact NZ-O 3.39Å; K303-D365 WeakPolarHBondContact CE-OD2 3.4Å; K303-D365 IonicContact NZ-OD2 3.15Å; K303-D365 PolarHBondContact NZ-OD2 3.43Å
304L92.6Very high83.1Confident0 Ų066.9 Ų66.90%038%0.384CS..Hα-helixtrans-61.4-50.8175.4-78.2171.8000111.6L288 S302 Q306 G307 V308 V318 A320 V333 A349 Q352L288-L304 HydrophobicContact CB-CD1 3.71Å; L288-L304 HydrophobicContact CB-CG 3.92Å; L288-L304 HydrophobicContact CD1-CD1 4.42Å; L288-L304 HydrophobicContact CD2-CD2 4.46Å; L288-L304 HydrophobicContact CD2-CG 4.2Å; L288-L304 PolarHBondContact O-N 3.03Å; L288-L304 VanDerWaalsContact O-N 3.16Å; S302-L304 VanDerWaalsContact C-N 3.28Å; S302-L304 PolarHBondContact O-N 3.31Å; S302-L304 PolarHBondContact OG-N 2.88Å; L304-Q306 VanDerWaalsContact C-N 3.34Å; L304-Q306 PolarHBondContact O-N 3.41Å; L304-G307 PolarHBondContact O-N 2.9Å; L304-V308 WeakPolarHBondContact O-CG2 3.47Å; L304-V308 PolarHBondContact O-N 3.22Å; L304-V318 HydrophobicContact CB-CG1 3.91Å; L304-V318 HydrophobicContact CB-CG2 3.9Å; L304-V318 HydrophobicContact CD1-CG2 4.08Å; L304-V318 HydrophobicContact CD2-CG2 4.11Å; L304-V318 HydrophobicContact CG-CG2 4.26Å; L304-A320 HydrophobicContact CD1-CB 3.78Å; L304-V333 HydrophobicContact CD1-CG1 4.04Å; L304-V333 HydrophobicContact CD2-CG1 4.02Å; L304-A349 HydrophobicContact CD2-CB 3.98Å; L304-A349 WeakPolarHBondContact CD2-O 3.27Å; L304-Q352 HydrophobicContact CD2-CB 4.01Å
305V91.6Very high83.6Confident5 Ų565.5 Ų65.53%0.0338%0.382CS..Hα-helixtrans-60.9-44179.3177.40000111G291 H293 S302 G307 A309 F316 V318G291-V305 WeakPolarHBondContact O-CG2 3.28Å; H293-V305 HydrophobicContact CB-CG1 4.47Å; S302-V305 PolarHBondContact O-N 2.8Å; S302-V305 PolarHBondContact OG-N 3.23Å; V305-G307 VanDerWaalsContact C-N 3.34Å; V305-G307 PolarHBondContact O-N 2.88Å; V305-A309 WeakPolarHBondContact O-CB 3.22Å; V305-A309 PolarHBondContact O-N 3.42Å; V305-F316 HydrophobicContact CG1-CE2 4.39Å; V305-F316 HydrophobicContact CG1-CZ 4.34Å; V305-V318 HydrophobicContact CG2-CG1 3.9Å
306Q89.9Confident84.6Confident92 Ų9256.5 Ų56.543%0.4334%0.343SS..Hα-helixtrans-63.1-37.7177.5-71.7175.76.200113G300 S302 K303 L304 K310G300-Q306 PolarHBondContact O-NE2 2.84Å; S302-Q306 WeakPolarHBondContact O-CB 3.45Å; S302-Q306 VanDerWaalsContact O-CG 3.28Å; S302-Q306 WeakPolarHBondContact O-CG 3.19Å; S302-Q306 PolarHBondContact O-N 3.35Å; K303-Q306 PolarHBondContact O-N 3Å; L304-Q306 VanDerWaalsContact C-N 3.34Å; L304-Q306 PolarHBondContact O-N 3.41Å; Q306-K310 WeakPolarHBondContact O-CG 3.1Å
307G91.1Very high85.5Confident6 Ų647.1 Ų47.16%0.06231%0.31CS..Hα-helixtrans-70.2-47.3177.900000112.5K303 L304 V305 K310K303-G307 PolarHBondContact O-N 2.91Å; L304-G307 PolarHBondContact O-N 2.9Å; V305-G307 VanDerWaalsContact C-N 3.34Å; V305-G307 PolarHBondContact O-N 2.88Å; G307-K310 PolarHBondContact O-N 3.38Å
308V93.3Very high86.7Confident0 Ų045.5 Ų45.50%029%0.293CS..Hα-helixtrans-69.2-36.8-178.8178.40000111.6L304 K310 A311 T312 F316 V318 V345 A348 A349L304-V308 WeakPolarHBondContact O-CG2 3.47Å; L304-V308 PolarHBondContact O-N 3.22Å; V308-K310 PolarHBondContact O-N 3.25Å; V308-K310 VanDerWaalsContact O-N 3.12Å; V308-A311 PolarHBondContact O-N 3.14Å; V308-T312 HydrophobicContact CG1-CG2 4.27Å; V308-T312 PolarHBondContact O-N 3.1Å; V308-T312 VanDerWaalsContact O-N 3.14Å; V308-F316 HydrophobicContact CB-CD2 4.07Å; V308-F316 HydrophobicContact CB-CE1 4.33Å; V308-F316 HydrophobicContact CB-CE2 3.57Å; V308-F316 HydrophobicContact CB-CZ 3.7Å; V308-F316 HydrophobicContact CG1-CB 4.48Å; V308-F316 HydrophobicContact CG1-CD1 3.79Å; V308-F316 HydrophobicContact CG1-CD2 3.47Å; V308-F316 VanDerWaalsContact CG1-CD2 3.47Å; V308-F316 HydrophobicContact CG1-CE1 3.77Å; V308-F316 HydrophobicContact CG1-CE2 3.45Å; V308-F316 VanDerWaalsContact CG1-CE2 3.45Å; V308-F316 HydrophobicContact CG1-CG 3.65Å; V308-F316 HydrophobicContact CG1-CZ 3.59Å; V308-V318 HydrophobicContact CG2-CB 4.42Å; V308-V318 HydrophobicContact CG2-CG1 4.18Å; V308-V318 HydrophobicContact CG2-CG2 4.32Å; V308-V345 HydrophobicContact CG1-CB 4.14Å; V308-V345 HydrophobicContact CG1-CG1 3.9Å; V308-V345 HydrophobicContact CG1-CG2 3.8Å; V308-A348 HydrophobicContact CG2-CB 4.06Å; V308-A349 HydrophobicContact CG2-CB 4.2Å
309A91.6Very high88.1Confident39 Ų3940.9 Ų40.932%0.32226%0.261SS..Hα-helixtrans-63.2-17.6176.800000114V305 F316V305-A309 WeakPolarHBondContact O-CB 3.22Å; V305-A309 PolarHBondContact O-N 3.42Å; A309-F316 HydrophobicContact CB-CE1 4.18Å; A309-F316 HydrophobicContact CB-CZ 3.95Å
310K92Very high89.7Confident180 Ų18040.6 Ų40.678%0.78326%0.258SS*.Hα-helixtrans-83.3-24.2172.4-67.1171.7-175.1179.30112.6Q306 G307 V308Q306-K310 WeakPolarHBondContact O-CG 3.1Å; G307-K310 PolarHBondContact O-N 3.38Å; V308-K310 PolarHBondContact O-N 3.25Å; V308-K310 VanDerWaalsContact O-N 3.12Å
311A91.4Very high91.1Very high47 Ų4740.3 Ų40.339%0.38824%0.242SC..Hα-helixtrans-89.4-29-176.700000112.4V308 A348V308-A311 PolarHBondContact O-N 3.14Å; A311-A348 HydrophobicContact CB-CB 3.62Å
312T90.9Very high92.1Very high21 Ų2139.1 Ų39.113%0.12923%0.23CC..  trans-144.8148.9179.4-171.60000112.6V308 D314 F316 A341 V345V308-T312 HydrophobicContact CG1-CG2 4.27Å; V308-T312 PolarHBondContact O-N 3.1Å; V308-T312 VanDerWaalsContact O-N 3.14Å; T312-D314 PolarHBondContact OG1-N 2.81Å; T312-F316 HydrophobicContact CG2-CD1 3.87Å; T312-F316 HydrophobicContact CG2-CE1 4.33Å; T312-A341 HydrophobicContact CG2-CB 4.47Å; T312-V345 HydrophobicContact CG2-CG2 3.67Å
313A89.1Confident92.6Very high111 Ų11140 Ų4092%0.91724%0.238SC*.SBendtrans-96.4-8.5168.700000112.6
314D90.2Very high92.8Very high52 Ų5240.8 Ų40.828%0.27825%0.247SC..SBendtrans-69.9154.9176.4-90.3-48.3000111.4T312 F316 R338 A341T312-D314 PolarHBondContact OG1-N 2.81Å; D314-F316 WeakPolarHBondContact O-CD1 3.43Å; D314-F316 PolarHBondContact O-N 3.14Å; D314-R338 IonicContact OD1-NH1 2.64Å; D314-R338 PolarHBondContact OD1-NH1 3.4Å; D314-R338 VanDerWaalsContact OD1-NH1 3.15Å; D314-A341 HydrophobicContact CB-CB 4.04Å
315P90.8Very high92.9Very high76 Ų7642.1 Ų42.149%0.49425%0.252SS..  trans-59.7133.2173.9-22.933.8000112.3
316F92.8Very high93Very high11 Ų1145.2 Ų45.25%0.04827%0.274CS..EExtended strand (participates in β ladder)trans-145.1159.9175.568.8-92.4000112.1H293 V305 V308 A309 T312 D314 V318 I336 V345H293-F316 HydrophobicContact CB-CD1 3.94Å; H293-F316 HydrophobicContact CB-CD2 4.12Å; H293-F316 HydrophobicContact CB-CE1 3.53Å; H293-F316 HydrophobicContact CB-CE2 3.73Å; H293-F316 HydrophobicContact CB-CG 4.23Å; H293-F316 HydrophobicContact CB-CZ 3.42Å; H293-F316 VanDerWaalsContact CB-CZ 3.42Å; H293-F316 AromaticContact CG-CE1 3.66Å; H293-F316 AromaticContact CG-CZ 3.67Å; H293-F316 PolarHBondContact N-O 3.29Å; H293-F316 AromaticContact ND1-CZ 3.87Å; V305-F316 HydrophobicContact CG1-CE2 4.39Å; V305-F316 HydrophobicContact CG1-CZ 4.34Å; V308-F316 HydrophobicContact CB-CD2 4.07Å; V308-F316 HydrophobicContact CB-CE1 4.33Å; V308-F316 HydrophobicContact CB-CE2 3.57Å; V308-F316 HydrophobicContact CB-CZ 3.7Å; V308-F316 HydrophobicContact CG1-CB 4.48Å; V308-F316 HydrophobicContact CG1-CD1 3.79Å; V308-F316 HydrophobicContact CG1-CD2 3.47Å; V308-F316 VanDerWaalsContact CG1-CD2 3.47Å; V308-F316 HydrophobicContact CG1-CE1 3.77Å; V308-F316 HydrophobicContact CG1-CE2 3.45Å; V308-F316 VanDerWaalsContact CG1-CE2 3.45Å; V308-F316 HydrophobicContact CG1-CG 3.65Å; V308-F316 HydrophobicContact CG1-CZ 3.59Å; A309-F316 HydrophobicContact CB-CE1 4.18Å; A309-F316 HydrophobicContact CB-CZ 3.95Å; T312-F316 HydrophobicContact CG2-CD1 3.87Å; T312-F316 HydrophobicContact CG2-CE1 4.33Å; D314-F316 WeakPolarHBondContact O-CD1 3.43Å; D314-F316 PolarHBondContact O-N 3.14Å; F316-V318 HydrophobicContact CD2-CB 4.37Å; F316-V318 HydrophobicContact CD2-CG1 3.99Å; F316-V318 HydrophobicContact CE2-CG1 3.75Å; F316-I336 CarbonylContact C-O 3.59Å; F316-I336 WeakPolarHBondContact CA-O 3.36Å; F316-V345 HydrophobicContact CB-CG1 4.5Å; F316-V345 HydrophobicContact CB-CG2 4.14Å
317D94Very high93.2Very high39 Ų3942.7 Ų42.721%0.20926%0.263CS..EExtended strand (participates in β ladder)trans-124.7139.9163.6-167.5-10.2000108.5P292 T335 I336P292-D317 HydrophobicContact CB-CB 4.21Å; P292-D317 VanDerWaalsContact N-OD1 3.14Å; D317-T335 CarbonylContact O-C 3.56Å; D317-T335 VanDerWaalsContact O-CA 3.29Å; D317-T335 WeakPolarHBondContact O-CA 2.95Å; D317-I336 HydrophobicContact CB-CB 3.94Å; D317-I336 HydrophobicContact CB-CD1 4.15Å; D317-I336 HydrophobicContact CB-CG1 4.14Å; D317-I336 PolarHBondContact N-O 3.08Å; D317-I336 PolarHBondContact O-N 2.76Å
318V94.9Very high93.4Very high0 Ų042.6 Ų42.60%026%0.261CS..EExtended strand (participates in β ladder)trans-144.7129.6178.961.30000109.5G291 L304 V305 V308 F316 Y334 T335 A349G291-V318 PolarHBondContact N-O 3.37Å; L304-V318 HydrophobicContact CB-CG1 3.91Å; L304-V318 HydrophobicContact CB-CG2 3.9Å; L304-V318 HydrophobicContact CD1-CG2 4.08Å; L304-V318 HydrophobicContact CD2-CG2 4.11Å; L304-V318 HydrophobicContact CG-CG2 4.26Å; V305-V318 HydrophobicContact CG2-CG1 3.9Å; V308-V318 HydrophobicContact CG2-CB 4.42Å; V308-V318 HydrophobicContact CG2-CG1 4.18Å; V308-V318 HydrophobicContact CG2-CG2 4.32Å; F316-V318 HydrophobicContact CD2-CB 4.37Å; F316-V318 HydrophobicContact CD2-CG1 3.99Å; F316-V318 HydrophobicContact CE2-CG1 3.75Å; V318-Y334 CarbonylContact C-O 3.57Å; V318-Y334 WeakPolarHBondContact CA-O 3.44Å; V318-T335 HydrophobicContact CB-CG2 4.33Å; V318-T335 HydrophobicContact CG2-CG2 3.89Å; V318-A349 HydrophobicContact CG2-CB 4.02Å
319S95.1Very high93.5Very high28 Ų2842.6 Ų42.620%0.19626%0.261CS..EExtended strand (participates in β ladder)trans-140.2130.8-177-65.20000110.9A290 V333 Y334A290-S319 WeakPolarHBondContact CB-OG 3.25Å; S319-V333 CarbonylContact O-C 3.53Å; S319-V333 WeakPolarHBondContact O-CA 3.32Å; S319-Y334 PolarHBondContact N-O 3.46Å; S319-Y334 PolarHBondContact O-N 3.01Å
320A96.2Very high93.8Very high4 Ų440.7 Ų40.73%0.03325%0.246CC..EExtended strand (participates in β ladder)trans-76.4144.9162.400000109.5Q285 L288 G289 L304 G332Q285-A320 HydrophobicContact CB-CB 4.48Å; Q285-A320 HydrophobicContact CG-CB 4.09Å; Q285-A320 WeakPolarHBondContact CG-O 3.43Å; L288-A320 HydrophobicContact CB-CB 3.71Å; L288-A320 HydrophobicContact CD1-CB 3.85Å; L288-A320 HydrophobicContact CG-CB 4.47Å; G289-A320 PolarHBondContact O-N 3.38Å; G289-A320 VanDerWaalsContact O-N 3.11Å; L304-A320 HydrophobicContact CD1-CB 3.78Å; A320-G332 WeakPolarHBondContact CA-O 3.49Å
321F95.2Very high94.1Very high47 Ų4732.1 Ų32.121%0.20621%0.209CC..EExtended strand (participates in β ladder)trans-140.8151.2171.869.2-86.5000111.3L172 V267 F331 G332L172-F321 HydrophobicContact CD2-CE2 4.43Å; L172-F321 HydrophobicContact CD2-CZ 3.92Å; V267-F321 HydrophobicContact CG1-CE1 4.02Å; V267-F321 HydrophobicContact CG1-CE2 3.81Å; V267-F321 HydrophobicContact CG1-CZ 3.22Å; F321-F331 WeakPolarHBondContact O-CD2 3.5Å; F321-G332 PolarHBondContact N-O 3.28Å; F321-G332 PolarHBondContact O-N 2.79Å; F321-G332 VanDerWaalsContact O-N 3.08Å
322H96.1Very high94.4Very high28 Ų2829.9 Ų29.913%0.1319%0.19CC..EExtended strand (participates in β ladder)trans-131.4126.9175.3-175.5-135.5000109.1S270 A278 F281 S282 Q285 S324 L330 F331S270-H322 PolarHBondContact OG-CD2 3.15Å; S270-H322 PolarHBondContact OG-NE2 3.12Å; A278-H322 PolarHBondContact O-CE1 2.77Å; F281-H322 VanDerWaalsContact CB-CE1 3.46Å; F281-H322 WeakPolarHBondContact CB-CE1 3.41Å; F281-H322 VanDerWaalsContact CB-NE2 3.35Å; F281-H322 WeakPolarHBondContact CB-NE2 3.42Å; F281-H322 AromaticContact CG-NE2 3.92Å; S282-H322 PolarHBondContact OG-ND1 3.29Å; S282-H322 VanDerWaalsContact OG-ND1 3.09Å; Q285-H322 HydrophobicContact CB-CB 4.45Å; Q285-H322 VanDerWaalsContact OE1-CB 3.27Å; Q285-H322 VanDerWaalsContact OE1-N 3.1Å; H322-S324 PolarHBondContact CE1-OG 3.24Å; H322-S324 PolarHBondContact NE2-OG 2.73Å; H322-L330 WeakPolarHBondContact CA-O 3.44Å; H322-L330 PolarHBondContact CD2-O 3.37Å; H322-F331 HydrophobicContact CB-CD2 4.13Å
323A95.3Very high94.7Very high26 Ų2629 Ų2922%0.21519%0.185CC..EExtended strand (participates in β ladder)trans-122.6120.5173.700000108.7Y325 G329 L330A323-Y325 HydrophobicContact CB-CE2 4.38Å; A323-G329 CarbonylContact O-C 3.56Å; A323-G329 WeakPolarHBondContact O-CA 3.33Å; A323-L330 PolarHBondContact N-O 2.98Å; A323-L330 PolarHBondContact O-N 3.42Å
324S94.2Very high95.1Very high44 Ų4424.4 Ų24.431%0.30814%0.144SC..EExtended strand (participates in β ladder)trans-109.5139.6178.8-57.80000110.3H322H322-S324 PolarHBondContact CE1-OG 3.24Å; H322-S324 PolarHBondContact NE2-OG 2.73Å
325Y95.3Very high95.4Very high28 Ų2822.1 Ų22.111%0.1113%0.131CC..  trans-123.8170.3175.5-56.5-71.2000109.7R111 E112 H173 L181 A272 A273 A323 D327 S328R111-Y325 HydrophobicContact CB-CE1 4.22Å; E112-Y325 HydrophobicContact CG-CD1 4.12Å; E112-Y325 WeakPolarHBondContact OE2-CA 3.32Å; E112-Y325 VanDerWaalsContact OE2-CB 3.28Å; E112-Y325 WeakPolarHBondContact OE2-CB 3.3Å; H173-Y325 AromaticContact NE2-CE2 3.91Å; H173-Y325 AromaticContact NE2-CZ 3.67Å; H173-Y325 PolarHBondContact NE2-OH 3.18Å; L181-Y325 HydrophobicContact CD1-CD2 3.42Å; L181-Y325 VanDerWaalsContact CD1-CD2 3.42Å; L181-Y325 HydrophobicContact CD1-CE2 4Å; L181-Y325 HydrophobicContact CD1-CG 3.73Å; L181-Y325 HydrophobicContact CD2-CD1 3.84Å; L181-Y325 HydrophobicContact CD2-CD2 4.15Å; L181-Y325 HydrophobicContact CD2-CE1 4.18Å; L181-Y325 HydrophobicContact CD2-CE2 4.45Å; L181-Y325 HydrophobicContact CD2-CG 3.82Å; L181-Y325 HydrophobicContact CG-CD2 4.41Å; L181-Y325 HydrophobicContact CG-CG 4.45Å; A272-Y325 CarbonylContact C-O 3.53Å; A272-Y325 WeakPolarHBondContact CA-O 3.34Å; A273-Y325 PolarHBondContact N-O 3.39Å; A323-Y325 HydrophobicContact CB-CE2 4.38Å; Y325-D327 PolarHBondContact O-N 3.37Å; Y325-S328 CarbonylContact C-O 3.57Å; Y325-S328 VanDerWaalsContact CA-O 3.29Å; Y325-S328 WeakPolarHBondContact CA-O 3.47Å; Y325-S328 VanDerWaalsContact CB-O 3.24Å; Y325-S328 WeakPolarHBondContact CB-O 3.15Å; Y325-S328 PolarHBondContact N-O 3.16Å; Y325-S328 VanDerWaalsContact O-O 3.06Å
326S93.6Very high95.7Very high70 Ų7019.9 Ų19.949%0.4912%0.115SC..SBendtrans-54.8-29.3-175.760.10000115.4R65 E112R65-S326 PolarHBondContact NH1-OG 2.98Å; R65-S326 VanDerWaalsContact NH1-OG 3.1Å; E112-S326 WeakPolarHBondContact OE1-CB 3.48Å; E112-S326 PolarHBondContact OE1-N 2.92Å; E112-S326 PolarHBondContact OE1-OG 3.37Å; E112-S326 PolarHBondContact OE2-N 3.2Å
327D93.4Very high95.8Very high40 Ų4019.4 Ų19.421%0.21411%0.113CC..SBendtrans-1363.4-17669.1-19.3000115.2R65 K245 A246 Y325R65-D327 IonicContact CZ-OD1 3.8Å; R65-D327 IonicContact CZ-OD2 3.46Å; R65-D327 IonicContact NH1-OD1 2.73Å; R65-D327 PolarHBondContact NH1-OD1 3.43Å; R65-D327 IonicContact NH1-OD2 3.67Å; R65-D327 IonicContact NH2-OD1 2.87Å; R65-D327 PolarHBondContact NH2-OD1 3.34Å; R65-D327 VanDerWaalsContact NH2-OD1 3.15Å; R65-D327 IonicContact NH2-OD2 2.79Å; R65-D327 PolarHBondContact NH2-OD2 3.49Å; K245-D327 VanDerWaalsContact CA-OD2 3.22Å; K245-D327 WeakPolarHBondContact CA-OD2 3.35Å; K245-D327 VanDerWaalsContact CG-OD2 3.27Å; K245-D327 WeakPolarHBondContact CG-OD2 3.46Å; A246-D327 PolarHBondContact N-OD2 2.94Å; Y325-D327 PolarHBondContact O-N 3.37Å
328S95.5Very high95.8Very high3 Ų323.8 Ų23.82%0.02113%0.127CC..  trans-159.1171178.2-172.90000109.8Y177 Q269 A271 Y325Y177-S328 PolarHBondContact OH-OG 2.84Å; Q269-S328 PolarHBondContact NE2-OG 3.36Å; Q269-S328 VanDerWaalsContact NE2-OG 3.1Å; A271-S328 CarbonylContact O-C 3.53Å; Y325-S328 CarbonylContact C-O 3.57Å; Y325-S328 VanDerWaalsContact CA-O 3.29Å; Y325-S328 WeakPolarHBondContact CA-O 3.47Å; Y325-S328 VanDerWaalsContact CB-O 3.24Å; Y325-S328 WeakPolarHBondContact CB-O 3.15Å; Y325-S328 PolarHBondContact N-O 3.16Å; Y325-S328 VanDerWaalsContact O-O 3.06Å
329G96.4Very high95.7Very high0 Ų024.5 Ų24.50%013%0.133CC..EExtended strand (participates in β ladder)trans-148.8174.7163.900000112Y177 Q269 S270 A271 A323Y177-G329 PolarHBondContact OH-O 2.64Å; Q269-G329 WeakPolarHBondContact CA-O 3.26Å; S270-G329 PolarHBondContact N-O 3.18Å; S270-G329 WeakPolarHBondContact OG-CA 3.32Å; S270-G329 PolarHBondContact OG-O 3.09Å; A271-G329 WeakPolarHBondContact O-CA 3.41Å; A271-G329 PolarHBondContact O-N 3.06Å; A323-G329 CarbonylContact O-C 3.56Å; A323-G329 WeakPolarHBondContact O-CA 3.33Å
330L97.9Very high95.6Very high0 Ų026.8 Ų26.80%015%0.153CC..EExtended strand (participates in β ladder)trans-122.7135.5170.5-64.7179.1000109.5A176 Y177 Y248 V267 S270 H322 A323A176-L330 HydrophobicContact CB-CD1 4.43Å; A176-L330 HydrophobicContact CB-CD2 4.13Å; Y177-L330 HydrophobicContact CE2-CD1 4Å; Y177-L330 HydrophobicContact CE2-CD2 3.87Å; Y177-L330 HydrophobicContact CE2-CG 3.93Å; Y248-L330 HydrophobicContact CD2-CD2 4.01Å; Y248-L330 HydrophobicContact CE2-CD2 3.68Å; V267-L330 HydrophobicContact CG2-CD1 4.49Å; V267-L330 HydrophobicContact CG2-CD2 4.09Å; S270-L330 PolarHBondContact OG-N 3.44Å; S270-L330 VanDerWaalsContact OG-N 3.12Å; H322-L330 WeakPolarHBondContact CA-O 3.44Å; H322-L330 PolarHBondContact CD2-O 3.37Å; A323-L330 PolarHBondContact N-O 2.98Å; A323-L330 PolarHBondContact O-N 3.42Å
331F98.3Very high95.6Very high0 Ų026.8 Ų26.80%015%0.153CC..EExtended strand (participates in β ladder)trans-129.4141.2169173.3-93.9000109.4V267 S268 F281 L284 Q285 L288 F321 H322 V353 F426V267-F331 CarbonylContact C-O 3.57Å; V267-F331 VanDerWaalsContact CA-O 3.27Å; V267-F331 WeakPolarHBondContact CA-O 3.44Å; V267-F331 WeakPolarHBondContact CB-O 3.47Å; S268-F331 PolarHBondContact N-O 2.78Å; S268-F331 PolarHBondContact O-N 3.45Å; F281-F331 HydrophobicContact CB-CD2 4.48Å; F281-F331 HydrophobicContact CD1-CB 3.59Å; F281-F331 AromaticContact CD1-CD1 3.95Å; F281-F331 HydrophobicContact CD1-CD1 3.95Å; F281-F331 AromaticContact CD1-CD2 3.73Å; F281-F331 HydrophobicContact CD1-CD2 3.73Å; F281-F331 HydrophobicContact CD1-CE2 4.41Å; F281-F331 AromaticContact CD1-CG 3.46Å; F281-F331 HydrophobicContact CD1-CG 3.46Å; F281-F331 VanDerWaalsContact CD1-CG 3.46Å; F281-F331 HydrophobicContact CE1-CB 3.81Å; F281-F331 AromaticContact CE1-CD1 3.95Å; F281-F331 HydrophobicContact CE1-CD1 3.95Å; F281-F331 AromaticContact CE1-CG 3.84Å; F281-F331 HydrophobicContact CE1-CG 3.84Å; F281-F331 HydrophobicContact CG-CB 4.41Å; L284-F331 HydrophobicContact CB-CE2 4.37Å; L284-F331 HydrophobicContact CB-CZ 4.44Å; L284-F331 HydrophobicContact CD2-CD1 4.35Å; L284-F331 HydrophobicContact CD2-CE1 3.63Å; L284-F331 HydrophobicContact CD2-CE2 3.94Å; L284-F331 HydrophobicContact CD2-CZ 3.38Å; L284-F331 HydrophobicContact CG-CE1 4.27Å; L284-F331 HydrophobicContact CG-CE2 3.93Å; L284-F331 HydrophobicContact CG-CZ 3.53Å; Q285-F331 HydrophobicContact CB-CE2 4.33Å; L288-F331 HydrophobicContact CD1-CE1 4.39Å; L288-F331 HydrophobicContact CD1-CZ 3.62Å; F321-F331 WeakPolarHBondContact O-CD2 3.5Å; H322-F331 HydrophobicContact CB-CD2 4.13Å; F331-V353 HydrophobicContact CE1-CG1 4.31Å; F331-F426 HydrophobicContact CD1-CB 3.91Å; F331-F426 AromaticContact CD1-CD2 3.58Å; F331-F426 HydrophobicContact CD1-CD2 3.58Å; F331-F426 HydrophobicContact CD1-CE2 4.31Å; F331-F426 AromaticContact CD1-CG 3.86Å; F331-F426 HydrophobicContact CD1-CG 3.86Å; F331-F426 HydrophobicContact CE1-CB 4.2Å; F331-F426 HydrophobicContact CE1-CD2 4.09Å; F331-F426 HydrophobicContact CE1-CG 4.06Å; F331-F426 WeakPolarHBondContact O-CD2 3.45Å; F331-F426 WeakPolarHBondContact O-CE2 3.37Å
332G97.1Very high95.6Very high0 Ų024.5 Ų24.50%014%0.144CC..EExtended strand (participates in β ladder)trans176.3-158171.800000114.6V266 A320 F321V266-G332 CarbonylContact O-C 3.58Å; V266-G332 WeakPolarHBondContact O-CA 3.48Å; A320-G332 WeakPolarHBondContact CA-O 3.49Å; F321-G332 PolarHBondContact N-O 3.28Å; F321-G332 PolarHBondContact O-N 2.79Å; F321-G332 VanDerWaalsContact O-N 3.08Å
333V97.4Very high95.5Very high2 Ų223.3 Ų23.31%0.01214%0.138CC..EExtended strand (participates in β ladder)trans-120.3138.7-176.3-63.90000110.2A265 V266 L304 S319 A349 L350 V353A265-V333 WeakPolarHBondContact CA-O 3.37Å; V266-V333 HydrophobicContact CB-CG2 4.31Å; V266-V333 PolarHBondContact N-O 3.14Å; V266-V333 PolarHBondContact O-N 3Å; L304-V333 HydrophobicContact CD1-CG1 4.04Å; L304-V333 HydrophobicContact CD2-CG1 4.02Å; S319-V333 CarbonylContact O-C 3.53Å; S319-V333 WeakPolarHBondContact O-CA 3.32Å; V333-A349 HydrophobicContact CB-CB 4.42Å; V333-A349 HydrophobicContact CG2-CB 4.12Å; V333-L350 HydrophobicContact CG2-CD2 3.94Å; V333-V353 HydrophobicContact CG1-CG2 3.91Å
334Y97.3Very high95.6Very high15 Ų1525.5 Ų25.56%0.05915%0.147CC..EExtended strand (participates in β ladder)trans-113.2129.2171.9-176.5-102000108.6Q165 V168 H263 S264 A265 V318 S319 I336Q165-Y334 VanDerWaalsContact CA-OH 3.26Å; Q165-Y334 WeakPolarHBondContact CA-OH 3.44Å; Q165-Y334 VanDerWaalsContact CB-OH 3.3Å; Q165-Y334 WeakPolarHBondContact CB-OH 3.32Å; Q165-Y334 HydrophobicContact CG-CE1 4.12Å; Q165-Y334 HydrophobicContact CG-CE2 4.29Å; V168-Y334 HydrophobicContact CB-CE2 4.31Å; V168-Y334 HydrophobicContact CG1-CD2 4.48Å; V168-Y334 HydrophobicContact CG1-CE2 3.94Å; H263-Y334 HydrophobicContact CB-CE2 4.43Å; H263-Y334 WeakPolarHBondContact CB-OH 3.47Å; H263-Y334 AromaticContact ND1-CZ 3.81Å; H263-Y334 PolarHBondContact ND1-OH 3.06Å; S264-Y334 CarbonylContact O-C 3.38Å; S264-Y334 WeakPolarHBondContact O-CA 3.24Å; A265-Y334 HydrophobicContact CB-CD2 3.97Å; V318-Y334 CarbonylContact C-O 3.57Å; V318-Y334 WeakPolarHBondContact CA-O 3.44Å; S319-Y334 PolarHBondContact N-O 3.46Å; S319-Y334 PolarHBondContact O-N 3.01Å; Y334-I336 HydrophobicContact CD1-CG1 4.28Å; Y334-I336 HydrophobicContact CE1-CD1 3.87Å; Y334-I336 HydrophobicContact CE1-CG1 3.57Å
335T96.8Very high95.7Very high3 Ų323.4 Ų23.42%0.01813%0.132CC..EExtended strand (participates in β ladder)trans-125.4143.4-179.1610000110.8H263 S264 D317 V318 V345 A349H263-T335 CarbonylContact C-O 3.59Å; H263-T335 WeakPolarHBondContact CA-O 3.39Å; S264-T335 PolarHBondContact N-O 2.77Å; S264-T335 PolarHBondContact O-N 3.42Å; S264-T335 PolarHBondContact O-OG1 3.34Å; D317-T335 CarbonylContact O-C 3.56Å; D317-T335 VanDerWaalsContact O-CA 3.29Å; D317-T335 WeakPolarHBondContact O-CA 2.95Å; V318-T335 HydrophobicContact CB-CG2 4.33Å; V318-T335 HydrophobicContact CG2-CG2 3.89Å; T335-V345 HydrophobicContact CG2-CG1 3.75Å; T335-A349 HydrophobicContact CG2-CB 4.16Å
336I95.8Very high95.7Very high29 Ų2922.1 Ų22.115%0.14913%0.127CC..EExtended strand (participates in β ladder)trans-124127.9167.5-46.5177.1000106.9L261 V262 F316 D317 Y334L261-I336 HydrophobicContact CB-CG2 4.28Å; L261-I336 HydrophobicContact CD1-CG2 4.22Å; V262-I336 WeakPolarHBondContact O-CA 3.38Å; F316-I336 CarbonylContact C-O 3.59Å; F316-I336 WeakPolarHBondContact CA-O 3.36Å; D317-I336 HydrophobicContact CB-CB 3.94Å; D317-I336 HydrophobicContact CB-CD1 4.15Å; D317-I336 HydrophobicContact CB-CG1 4.14Å; D317-I336 PolarHBondContact N-O 3.08Å; D317-I336 PolarHBondContact O-N 2.76Å; Y334-I336 HydrophobicContact CD1-CG1 4.28Å; Y334-I336 HydrophobicContact CE1-CD1 3.87Å; Y334-I336 HydrophobicContact CE1-CG1 3.57Å
337S95.1Very high95.9Very high2 Ų223.9 Ų23.91%0.01412%0.123CC..EExtended strand (participates in β ladder)trans-155.2170.1177.959.30000111.7L261 V262 A342L261-S337 CarbonylContact C-O 3.47Å; L261-S337 WeakPolarHBondContact CA-O 3.47Å; V262-S337 PolarHBondContact N-O 2.78Å; V262-S337 PolarHBondContact O-N 2.64Å; S337-A342 WeakPolarHBondContact OG-CA 3.38Å
338R94.6Very high96.1Very high130 Ų13022.6 Ų22.649%0.49112%0.118SC..EExtended strand (participates in β ladder)trans-67.6147.6167.3-70.4-176.9171.4172.3-6.2110.1D314 A340 A341 A342D314-R338 IonicContact OD1-NH1 2.64Å; D314-R338 PolarHBondContact OD1-NH1 3.4Å; D314-R338 VanDerWaalsContact OD1-NH1 3.15Å; R338-A340 VanDerWaalsContact C-N 3.3Å; R338-A340 PolarHBondContact O-N 2.79Å; R338-A341 PolarHBondContact O-N 3.44Å; R338-A342 PolarHBondContact O-N 2.94Å; R338-A342 VanDerWaalsContact O-N 3.15Å
339A93.4Very high96.1Very high16 Ų1622.4 Ų22.413%0.13212%0.117CC..G310 helixtrans-47-51.6178.900000112.2V262 A341 A342 N438 T441V262-A339 HydrophobicContact CG2-CB 4.15Å; A339-A341 PolarHBondContact O-N 3.49Å; A339-A341 VanDerWaalsContact O-N 3.07Å; A339-A342 WeakPolarHBondContact O-CB 3.41Å; A339-A342 PolarHBondContact O-N 2.9Å; A339-N438 HydrophobicContact CB-CB 3.91Å; A339-T441 PolarHBondContact O-OG1 3.45Å
340A93.4Very high96.1Very high75 Ų7523.5 Ų23.562%0.6212%0.122SC*.G310 helixtrans-54.5-34.5-178.700000114.5R338R338-A340 VanDerWaalsContact C-N 3.3Å; R338-A340 PolarHBondContact O-N 2.79Å
341A94.7Very high96.1Very high4 Ų427.4 Ų27.43%0.03315%0.146CC..G310 helixtrans-96.4-2.1-177.600000114T312 D314 R338 A339 G343 D344 V345T312-A341 HydrophobicContact CG2-CB 4.47Å; D314-A341 HydrophobicContact CB-CB 4.04Å; R338-A341 PolarHBondContact O-N 3.44Å; A339-A341 PolarHBondContact O-N 3.49Å; A339-A341 VanDerWaalsContact O-N 3.07Å; A341-G343 PolarHBondContact O-N 3.42Å; A341-D344 PolarHBondContact O-N 3.11Å; A341-V345 HydrophobicContact CB-CG2 4.28Å; A341-V345 WeakPolarHBondContact O-CB 3.38Å; A341-V345 VanDerWaalsContact O-CG2 3.29Å; A341-V345 WeakPolarHBondContact O-CG2 3.39Å; A341-V345 PolarHBondContact O-N 3.28Å
342A94.9Very high95.9Very high0 Ų029.6 Ų29.60%016%0.156CC..Hα-helixtrans-55.2-46.6-171.500000113.4V262 S337 R338 A339 V346V262-A342 HydrophobicContact CB-CB 4.08Å; V262-A342 HydrophobicContact CG1-CB 4.03Å; V262-A342 HydrophobicContact CG2-CB 4.19Å; S337-A342 WeakPolarHBondContact OG-CA 3.38Å; R338-A342 PolarHBondContact O-N 2.94Å; R338-A342 VanDerWaalsContact O-N 3.15Å; A339-A342 WeakPolarHBondContact O-CB 3.41Å; A339-A342 PolarHBondContact O-N 2.9Å; A342-V346 VanDerWaalsContact O-CG2 3.31Å; A342-V346 WeakPolarHBondContact O-CG2 3.47Å; A342-V346 PolarHBondContact O-N 2.91Å
343G95.9Very high95.9Very high2 Ų229.6 Ų29.62%0.02116%0.156CC..Hα-helixtrans-67.5-38.6-179.900000114A341 R347 T441A341-G343 PolarHBondContact O-N 3.42Å; G343-R347 VanDerWaalsContact C-CZ 3.5Å; G343-R347 VanDerWaalsContact C-NH2 3.27Å; G343-R347 WeakPolarHBondContact O-CB 3.23Å; G343-R347 WeakPolarHBondContact O-CG 3.5Å; G343-R347 PolarHBondContact O-N 3.11Å; G343-R347 PolarHBondContact O-NE 2.87Å; G343-T441 WeakPolarHBondContact CA-O 3.4Å; G343-T441 PolarHBondContact N-O 2.93Å
344D95.7Very high95.8Very high73 Ų7335 Ų3539%0.3918%0.18SC..Hα-helixtrans-70.6-39-179.9-60.6-24.2000111.1A341 R347 A348A341-D344 PolarHBondContact O-N 3.11Å; D344-R347 IonicContact OD1-CZ 3.96Å; D344-R347 IonicContact OD1-NH2 2.73Å; D344-R347 PolarHBondContact OD1-NH2 2.78Å; D344-A348 WeakPolarHBondContact O-CB 3.36Å; D344-A348 PolarHBondContact O-N 2.84Å
345V96.3Very high95.7Very high0 Ų036.1 Ų36.10%019%0.192CC..Hα-helixtrans-62.6-47.7175.2170.30000111.4V308 T312 F316 T335 A341 A348 A349V308-V345 HydrophobicContact CG1-CB 4.14Å; V308-V345 HydrophobicContact CG1-CG1 3.9Å; V308-V345 HydrophobicContact CG1-CG2 3.8Å; T312-V345 HydrophobicContact CG2-CG2 3.67Å; F316-V345 HydrophobicContact CB-CG1 4.5Å; F316-V345 HydrophobicContact CB-CG2 4.14Å; T335-V345 HydrophobicContact CG2-CG1 3.75Å; A341-V345 HydrophobicContact CB-CG2 4.28Å; A341-V345 WeakPolarHBondContact O-CB 3.38Å; A341-V345 VanDerWaalsContact O-CG2 3.29Å; A341-V345 WeakPolarHBondContact O-CG2 3.39Å; A341-V345 PolarHBondContact O-N 3.28Å; V345-A348 PolarHBondContact O-N 2.81Å; V345-A349 WeakPolarHBondContact O-CB 3.4Å; V345-A349 PolarHBondContact O-N 2.64Å
346V96.9Very high95.6Very high1 Ų136 Ų361%0.00619%0.192CC..Hα-helixtrans-63.2-49.3179.4171.20000111V266 A342 A348 A349 L350 P443V266-V346 HydrophobicContact CG2-CG1 4.04Å; A342-V346 VanDerWaalsContact O-CG2 3.31Å; A342-V346 WeakPolarHBondContact O-CG2 3.47Å; A342-V346 PolarHBondContact O-N 2.91Å; V346-A348 PolarHBondContact O-N 3.31Å; V346-A349 PolarHBondContact O-N 3.42Å; V346-L350 HydrophobicContact CG1-CD1 4.12Å; V346-L350 WeakPolarHBondContact O-CG 2.96Å; V346-L350 PolarHBondContact O-N 3.21Å; V346-P443 HydrophobicContact CB-CG 4.21Å; V346-P443 HydrophobicContact CG1-CG 3.96Å
347R97.1Very high95.6Very high106 Ų10634.8 Ų34.840%0.419%0.186SC..Hα-helixtrans-62.5-41.5179.2-74.7-176.9-73.6-951.1112.3G343 D344 L350 T351 I448G343-R347 VanDerWaalsContact C-CZ 3.5Å; G343-R347 VanDerWaalsContact C-NH2 3.27Å; G343-R347 WeakPolarHBondContact O-CB 3.23Å; G343-R347 WeakPolarHBondContact O-CG 3.5Å; G343-R347 PolarHBondContact O-N 3.11Å; G343-R347 PolarHBondContact O-NE 2.87Å; D344-R347 IonicContact OD1-CZ 3.96Å; D344-R347 IonicContact OD1-NH2 2.73Å; D344-R347 PolarHBondContact OD1-NH2 2.78Å; R347-L350 PolarHBondContact O-N 3.39Å; R347-T351 WeakPolarHBondContact O-CB 3.17Å; R347-T351 PolarHBondContact O-N 2.9Å; R347-T351 PolarHBondContact O-OG1 2.97Å; R347-I448 HydrophobicContact CG-CG2 4.49Å
348A96.6Very high95.6Very high13 Ų1340.5 Ų40.511%0.10722%0.216CC..Hα-helixtrans-64.6-41.7177.600000112V308 A311 D344 V345 V346 T351 Q352V308-A348 HydrophobicContact CG2-CB 4.06Å; A311-A348 HydrophobicContact CB-CB 3.62Å; D344-A348 WeakPolarHBondContact O-CB 3.36Å; D344-A348 PolarHBondContact O-N 2.84Å; V345-A348 PolarHBondContact O-N 2.81Å; V346-A348 PolarHBondContact O-N 3.31Å; A348-T351 PolarHBondContact O-N 3.01Å; A348-Q352 WeakPolarHBondContact O-CG 3.44Å; A348-Q352 PolarHBondContact O-N 3.34Å
349A96.5Very high95.4Very high0 Ų036.8 Ų36.80%022%0.218CC..Hα-helixtrans-60.5-47.7175.800000111.6L304 V308 V318 V333 T335 V345 V346 T351 Q352 V353L304-A349 HydrophobicContact CD2-CB 3.98Å; L304-A349 WeakPolarHBondContact CD2-O 3.27Å; V308-A349 HydrophobicContact CG2-CB 4.2Å; V318-A349 HydrophobicContact CG2-CB 4.02Å; V333-A349 HydrophobicContact CB-CB 4.42Å; V333-A349 HydrophobicContact CG2-CB 4.12Å; T335-A349 HydrophobicContact CG2-CB 4.16Å; V345-A349 WeakPolarHBondContact O-CB 3.4Å; V345-A349 PolarHBondContact O-N 2.64Å; V346-A349 PolarHBondContact O-N 3.42Å; A349-T351 VanDerWaalsContact C-N 3.33Å; A349-T351 PolarHBondContact O-N 3.06Å; A349-Q352 WeakPolarHBondContact O-CB 3.48Å; A349-Q352 PolarHBondContact O-N 3.49Å; A349-V353 PolarHBondContact O-N 2.85Å
350L96.8Very high95.2Very high22 Ų2238 Ų3812%0.11523%0.233CC..Hα-helixtrans-65.1-36.6177.7-64.5175.4000112.5V266 V333 V346 R347 Q352 V353 K354 F426 I448V266-L350 HydrophobicContact CB-CD2 4.16Å; V266-L350 HydrophobicContact CG1-CD1 4.3Å; V266-L350 HydrophobicContact CG1-CD2 3.89Å; V333-L350 HydrophobicContact CG2-CD2 3.94Å; V346-L350 HydrophobicContact CG1-CD1 4.12Å; V346-L350 WeakPolarHBondContact O-CG 2.96Å; V346-L350 PolarHBondContact O-N 3.21Å; R347-L350 PolarHBondContact O-N 3.39Å; L350-Q352 VanDerWaalsContact C-N 3.27Å; L350-Q352 PolarHBondContact O-N 3.22Å; L350-V353 PolarHBondContact O-N 2.66Å; L350-V353 VanDerWaalsContact O-N 3.15Å; L350-K354 PolarHBondContact O-N 3.44Å; L350-F426 HydrophobicContact CD2-CE1 3.86Å; L350-F426 HydrophobicContact CD2-CZ 3.68Å; L350-I448 HydrophobicContact CD1-CB 3.68Å; L350-I448 HydrophobicContact CD1-CD1 3.93Å; L350-I448 HydrophobicContact CD1-CG1 4.25Å; L350-I448 HydrophobicContact CD1-CG2 4.09Å
351T96.4Very high95.1Very high82 Ų8235.3 Ų35.350%0.50321%0.208SC..Hα-helixtrans-61.2-37174.6-59.50000111.4R347 A348 A349 K354 A355R347-T351 WeakPolarHBondContact O-CB 3.17Å; R347-T351 PolarHBondContact O-N 2.9Å; R347-T351 PolarHBondContact O-OG1 2.97Å; A348-T351 PolarHBondContact O-N 3.01Å; A349-T351 VanDerWaalsContact C-N 3.33Å; A349-T351 PolarHBondContact O-N 3.06Å; T351-K354 PolarHBondContact O-N 3.22Å; T351-A355 WeakPolarHBondContact O-CB 3.29Å; T351-A355 PolarHBondContact O-N 2.66Å
352Q95.4Very high95Very high46 Ų4638.7 Ų38.722%0.21523%0.229CC..Hα-helixtrans-66.5-39.1174.4-68.5-54-5300112.5L304 A348 A349 L350 K354 A355 V356L304-Q352 HydrophobicContact CD2-CB 4.01Å; A348-Q352 WeakPolarHBondContact O-CG 3.44Å; A348-Q352 PolarHBondContact O-N 3.34Å; A349-Q352 WeakPolarHBondContact O-CB 3.48Å; A349-Q352 PolarHBondContact O-N 3.49Å; L350-Q352 VanDerWaalsContact C-N 3.27Å; L350-Q352 PolarHBondContact O-N 3.22Å; Q352-K354 VanDerWaalsContact C-N 3.31Å; Q352-K354 PolarHBondContact O-N 2.91Å; Q352-A355 PolarHBondContact O-N 3.21Å; Q352-V356 WeakPolarHBondContact O-CG2 3.43Å; Q352-V356 PolarHBondContact O-N 3.29Å; Q352-V356 VanDerWaalsContact O-N 3.1Å
353V95.9Very high95Very high0 Ų041.8 Ų41.80%025%0.254CS..Hα-helixtrans-64.1-40174.5-170.40000110.9L288 F331 V333 A349 L350 V356 A357 A423 F426L288-V353 HydrophobicContact CD1-CG2 3.83Å; L288-V353 HydrophobicContact CD2-CG2 4.28Å; F331-V353 HydrophobicContact CE1-CG1 4.31Å; V333-V353 HydrophobicContact CG1-CG2 3.91Å; A349-V353 PolarHBondContact O-N 2.85Å; L350-V353 PolarHBondContact O-N 2.66Å; L350-V353 VanDerWaalsContact O-N 3.15Å; V353-V356 WeakPolarHBondContact O-CB 3.4Å; V353-V356 PolarHBondContact O-N 3.1Å; V353-A357 PolarHBondContact O-N 2.98Å; V353-A423 HydrophobicContact CG1-CB 4.47Å; V353-F426 HydrophobicContact CB-CD1 4.13Å; V353-F426 HydrophobicContact CB-CE1 4.03Å; V353-F426 HydrophobicContact CG1-CD1 3.38Å; V353-F426 HydrophobicContact CG1-CE1 3.78Å; V353-F426 HydrophobicContact CG1-CG 4.18Å; V353-F426 HydrophobicContact CG2-CE1 4.24Å
354K96.1Very high94.9Very high115 Ų11544.9 Ų44.950%0.528%0.279SS..Hα-helixtrans-62.6-43.3173.9-172.8177179178.60112.4L350 T351 Q352 V356 A357 D358 V427L350-K354 PolarHBondContact O-N 3.44Å; T351-K354 PolarHBondContact O-N 3.22Å; Q352-K354 VanDerWaalsContact C-N 3.31Å; Q352-K354 PolarHBondContact O-N 2.91Å; K354-V356 PolarHBondContact O-N 3.32Å; K354-A357 WeakPolarHBondContact O-CA 3.37Å; K354-A357 VanDerWaalsContact O-CB 3.31Å; K354-A357 WeakPolarHBondContact O-CB 3.42Å; K354-A357 PolarHBondContact O-N 3.06Å; K354-D358 PolarHBondContact O-N 3.09Å; K354-V427 HydrophobicContact CB-CG2 4.28Å
355A95.4Very high94.8Very high39 Ų3942.3 Ų42.332%0.32227%0.266SS..Hα-helixtrans-59.3-35.8175.500000112.2T351 Q352 D358 G359 G360T351-A355 WeakPolarHBondContact O-CB 3.29Å; T351-A355 PolarHBondContact O-N 2.66Å; Q352-A355 PolarHBondContact O-N 3.21Å; A355-D358 PolarHBondContact O-N 2.77Å; A355-G359 PolarHBondContact O-N 2.86Å; A355-G360 VanDerWaalsContact O-CA 3.3Å; A355-G360 WeakPolarHBondContact O-CA 3.27Å; A355-G360 PolarHBondContact O-N 2.95Å
356V94.8Very high94.7Very high2 Ų242.9 Ų42.91%0.01227%0.269CS..Hα-helixtrans-67.3-42.1172.3171.60000111.6L284 V287 L288 K303 Q352 V353 K354 D358 G359 V361 V419 A423L284-V356 HydrophobicContact CD1-CB 4.4Å; L284-V356 HydrophobicContact CD1-CG1 3.49Å; L284-V356 VanDerWaalsContact CD1-CG1 3.49Å; V287-V356 HydrophobicContact CG1-CG2 4.46Å; L288-V356 HydrophobicContact CD2-CG2 3.87Å; K303-V356 HydrophobicContact CD-CG2 4.27Å; Q352-V356 WeakPolarHBondContact O-CG2 3.43Å; Q352-V356 PolarHBondContact O-N 3.29Å; Q352-V356 VanDerWaalsContact O-N 3.1Å; V353-V356 WeakPolarHBondContact O-CB 3.4Å; V353-V356 PolarHBondContact O-N 3.1Å; K354-V356 PolarHBondContact O-N 3.32Å; V356-D358 PolarHBondContact O-N 3.09Å; V356-G359 PolarHBondContact O-N 2.92Å; V356-V361 HydrophobicContact CB-CG2 3.96Å; V356-V361 HydrophobicContact CG1-CG2 3.44Å; V356-V361 VanDerWaalsContact CG1-CG2 3.44Å; V356-V361 HydrophobicContact CG2-CG2 3.73Å; V356-V419 HydrophobicContact CG1-CG1 4.2Å; V356-A423 HydrophobicContact CB-CB 4.29Å; V356-A423 HydrophobicContact CG1-CB 3.8Å
357A95.5Very high94.7Very high2 Ų247.5 Ų47.52%0.01730%0.297CS..Hα-helixtrans-60-34.4175.500000112.7V353 K354 G359 A423 K424 V427V353-A357 PolarHBondContact O-N 2.98Å; K354-A357 WeakPolarHBondContact O-CA 3.37Å; K354-A357 VanDerWaalsContact O-CB 3.31Å; K354-A357 WeakPolarHBondContact O-CB 3.42Å; K354-A357 PolarHBondContact O-N 3.06Å; A357-G359 PolarHBondContact O-N 3.11Å; A357-A423 HydrophobicContact CB-CB 3.85Å; A357-K424 HydrophobicContact CB-CG 3.81Å; A357-K424 WeakPolarHBondContact O-CE 3.48Å; A357-V427 HydrophobicContact CB-CG2 3.99Å
358D94.9Very high94.5Very high123 Ų12346 Ų4666%0.65829%0.291SS*.THydrogen-bonded Turntrans-81.53.3177.9-63.2-27.2000113.4K354 A355 V356K354-D358 PolarHBondContact O-N 3.09Å; A355-D358 PolarHBondContact O-N 2.77Å; V356-D358 PolarHBondContact O-N 3.09Å
359G90.2Very high94.4Very high51 Ų5145.4 Ų45.453%0.52629%0.286SS..THydrogen-bonded Turntrans95.314.9176.700000115.2A355 V356 A357 V361A355-G359 PolarHBondContact O-N 2.86Å; V356-G359 PolarHBondContact O-N 2.92Å; A357-G359 PolarHBondContact O-N 3.11Å; G359-V361 PolarHBondContact O-N 2.97Å
360G89.4Confident94.4Very high43 Ų4346.7 Ų46.744%0.44329%0.292SS..  trans-70.525.4178.200000115.9K303 A355K303-G360 PolarHBondContact NZ-O 3.39Å; A355-G360 VanDerWaalsContact O-CA 3.3Å; A355-G360 WeakPolarHBondContact O-CA 3.27Å; A355-G360 PolarHBondContact O-N 2.95Å
361V91.6Very high94.4Very high18 Ų1848.4 Ų48.411%0.10931%0.309CS..  trans-113.7123179.7-177.60000109.4V287 V356 G359 D365 L416V287-V361 HydrophobicContact CG1-CG1 3.98Å; V287-V361 HydrophobicContact CG1-CG2 3.78Å; V287-V361 HydrophobicContact CG2-CG1 4.48Å; V356-V361 HydrophobicContact CB-CG2 3.96Å; V356-V361 HydrophobicContact CG1-CG2 3.44Å; V356-V361 VanDerWaalsContact CG1-CG2 3.44Å; V356-V361 HydrophobicContact CG2-CG2 3.73Å; G359-V361 PolarHBondContact O-N 2.97Å; V361-D365 HydrophobicContact CG1-CB 3.88Å; V361-L416 HydrophobicContact CB-CD2 4.22Å; V361-L416 HydrophobicContact CG1-CD2 3.74Å
362T93.3Very high94.3Very high75 Ų7548.2 Ų48.246%0.4630%0.303SS..  trans-83.8160176670000110.9A364 D365 L366T362-A364 PolarHBondContact O-N 3.13Å; T362-D365 PolarHBondContact N-OD2 2.93Å; T362-D365 WeakPolarHBondContact O-CB 3.26Å; T362-D365 PolarHBondContact O-N 2.92Å; T362-D365 VanDerWaalsContact O-N 3.1Å; T362-D365 PolarHBondContact OG1-N 3.44Å; T362-D365 VanDerWaalsContact OG1-N 3.11Å; T362-D365 PolarHBondContact OG1-OD2 3.13Å; T362-L366 PolarHBondContact O-N 2.77Å; T362-L366 VanDerWaalsContact O-N 3.1Å
363A94.5Very high94.3Very high64 Ų6447.1 Ų47.153%0.52930%0.298SS..Hα-helixtrans-58.1-35.1172.100000112.2L366 T367A363-L366 PolarHBondContact O-N 3.44Å; A363-T367 PolarHBondContact O-N 2.95Å; A363-T367 PolarHBondContact O-OG1 3.42Å; A363-T367 VanDerWaalsContact O-OG1 3.09Å
364A93.6Very high94.3Very high67 Ų6749.5 Ų49.555%0.55431%0.308SS*.Hα-helixtrans-65.4-38.1175.700000112.4T362 R368T362-A364 PolarHBondContact O-N 3.13Å; A364-R368 WeakPolarHBondContact O-CB 3.23Å; A364-R368 PolarHBondContact O-N 3.34Å
365D92.6Very high94.3Very high19 Ų1945.1 Ų45.110%0.10230%0.296CS..Hα-helixtrans-63.6-43173.8-66.5-44.4000111.7K303 V361 T362 R368 A369K303-D365 WeakPolarHBondContact CE-OD2 3.4Å; K303-D365 IonicContact NZ-OD2 3.15Å; K303-D365 PolarHBondContact NZ-OD2 3.43Å; V361-D365 HydrophobicContact CG1-CB 3.88Å; T362-D365 PolarHBondContact N-OD2 2.93Å; T362-D365 WeakPolarHBondContact O-CB 3.26Å; T362-D365 PolarHBondContact O-N 2.92Å; T362-D365 VanDerWaalsContact O-N 3.1Å; T362-D365 PolarHBondContact OG1-N 3.44Å; T362-D365 VanDerWaalsContact OG1-N 3.11Å; T362-D365 PolarHBondContact OG1-OD2 3.13Å; D365-R368 PolarHBondContact O-N 3.42Å; D365-R368 IonicContact OD1-CZ 3.71Å; D365-R368 VanDerWaalsContact OD1-CZ 3.28Å; D365-R368 IonicContact OD1-NH1 3.54Å; D365-R368 PolarHBondContact OD1-NH1 2.86Å; D365-R368 IonicContact OD1-NH2 3.38Å; D365-R368 PolarHBondContact OD1-NH2 3.48Å; D365-A369 WeakPolarHBondContact O-CB 3.36Å; D365-A369 PolarHBondContact O-N 3.36Å
366L95.3Very high94.2Very high13 Ų1348.9 Ų48.97%0.06831%0.307CS..Hα-helixtrans-63.8-47.8177.5-179.962.6000111.7V283 T362 A363 R368 A369 K370 L416 V419V283-L366 HydrophobicContact CG1-CD1 3.61Å; T362-L366 PolarHBondContact O-N 2.77Å; T362-L366 VanDerWaalsContact O-N 3.1Å; A363-L366 PolarHBondContact O-N 3.44Å; L366-R368 VanDerWaalsContact C-N 3.29Å; L366-R368 PolarHBondContact O-N 2.83Å; L366-A369 PolarHBondContact O-N 2.96Å; L366-K370 HydrophobicContact CD1-CD 4.4Å; L366-K370 HydrophobicContact CD1-CG 4.29Å; L366-K370 HydrophobicContact CG-CD 4.24Å; L366-K370 WeakPolarHBondContact O-CG 3.21Å; L366-K370 PolarHBondContact O-N 2.91Å; L366-L416 HydrophobicContact CB-CD2 3.76Å; L366-L416 HydrophobicContact CD2-CB 4.49Å; L366-L416 HydrophobicContact CD2-CD2 3.77Å; L366-L416 HydrophobicContact CD2-CG 3.73Å; L366-L416 HydrophobicContact CG-CD2 4.3Å; L366-V419 HydrophobicContact CD1-CG2 3.94Å
367T96Very high94.1Very high97 Ų9750.8 Ų50.860%0.59532%0.315SS*.Hα-helixtrans-58.8-42.9178-61.20000111.2A363 A371A363-T367 PolarHBondContact O-N 2.95Å; A363-T367 PolarHBondContact O-OG1 3.42Å; A363-T367 VanDerWaalsContact O-OG1 3.09Å; T367-A371 WeakPolarHBondContact O-CB 3.41Å; T367-A371 PolarHBondContact O-N 3Å
368R94.3Very high94.1Very high75 Ų7553.7 Ų53.728%0.28333%0.33SS..Hα-helixtrans-62.8-47.4175.6-176.8-179.167.3-108.31.3111.8A364 D365 L366 K370 A371 Q372A364-R368 WeakPolarHBondContact O-CB 3.23Å; A364-R368 PolarHBondContact O-N 3.34Å; D365-R368 PolarHBondContact O-N 3.42Å; D365-R368 IonicContact OD1-CZ 3.71Å; D365-R368 VanDerWaalsContact OD1-CZ 3.28Å; D365-R368 IonicContact OD1-NH1 3.54Å; D365-R368 PolarHBondContact OD1-NH1 2.86Å; D365-R368 IonicContact OD1-NH2 3.38Å; D365-R368 PolarHBondContact OD1-NH2 3.48Å; L366-R368 VanDerWaalsContact C-N 3.29Å; L366-R368 PolarHBondContact O-N 2.83Å; R368-K370 PolarHBondContact O-N 3.29Å; R368-A371 PolarHBondContact O-N 2.81Å; R368-Q372 HydrophobicContact CG-CG 4.49Å; R368-Q372 WeakPolarHBondContact O-CG 3.41Å; R368-Q372 PolarHBondContact O-N 2.92Å
369A94.8Very high94.1Very high0 Ų053.7 Ų53.70%033%0.328CS..Hα-helixtrans-62.5-42-179.300000112.2V283 H286 V287 D365 L366 Q372 L373V283-A369 HydrophobicContact CG1-CB 4.28Å; H286-A369 HydrophobicContact CB-CB 3.85Å; V287-A369 HydrophobicContact CB-CB 4.25Å; V287-A369 HydrophobicContact CG2-CB 3.39Å; D365-A369 WeakPolarHBondContact O-CB 3.36Å; D365-A369 PolarHBondContact O-N 3.36Å; L366-A369 PolarHBondContact O-N 2.96Å; A369-Q372 PolarHBondContact O-N 2.73Å; A369-L373 WeakPolarHBondContact O-CB 3.37Å; A369-L373 PolarHBondContact O-N 2.85Å
370K96.6Very high94.3Very high28 Ų2853.9 Ų53.912%0.12232%0.321CS..Hα-helixtrans-61.4-44.8173.1-72.6177.2174.9-177.40111.9V283 L366 R368 Q372 L373 K374 I411 D412 V414V283-K370 HydrophobicContact CG1-CG 4.42Å; L366-K370 HydrophobicContact CD1-CD 4.4Å; L366-K370 HydrophobicContact CD1-CG 4.29Å; L366-K370 HydrophobicContact CG-CD 4.24Å; L366-K370 WeakPolarHBondContact O-CG 3.21Å; L366-K370 PolarHBondContact O-N 2.91Å; R368-K370 PolarHBondContact O-N 3.29Å; K370-Q372 VanDerWaalsContact C-N 3.34Å; K370-Q372 PolarHBondContact O-N 2.77Å; K370-L373 PolarHBondContact O-N 3.07Å; K370-K374 WeakPolarHBondContact O-CB 3.4Å; K370-K374 WeakPolarHBondContact O-CG 3.22Å; K370-K374 PolarHBondContact O-N 3.31Å; K370-I411 HydrophobicContact CB-CG2 4.05Å; K370-I411 VanDerWaalsContact CE-O 3.28Å; K370-I411 WeakPolarHBondContact CE-O 3.43Å; K370-I411 HydrophobicContact CG-CG2 4.03Å; K370-D412 PolarHBondContact NZ-O 3.35Å; K370-V414 WeakPolarHBondContact CE-O 3.31Å; K370-V414 PolarHBondContact NZ-O 3.43Å
371A95.8Very high94.5Very high57 Ų5752.3 Ų52.347%0.47130%0.302SS..Hα-helixtrans-63-40.1177.300000112T367 R368 G375T367-A371 WeakPolarHBondContact O-CB 3.41Å; T367-A371 PolarHBondContact O-N 3Å; R368-A371 PolarHBondContact O-N 2.81Å; A371-G375 PolarHBondContact O-N 3.05Å
372Q94.3Very high94.6Very high79 Ų7959 Ų5937%0.36933%0.332SS..Hα-helixtrans-65-46.6175.5-73176.8-20.400112R368 A369 K370 G375 Q376R368-Q372 HydrophobicContact CG-CG 4.49Å; R368-Q372 WeakPolarHBondContact O-CG 3.41Å; R368-Q372 PolarHBondContact O-N 2.92Å; A369-Q372 PolarHBondContact O-N 2.73Å; K370-Q372 VanDerWaalsContact C-N 3.34Å; K370-Q372 PolarHBondContact O-N 2.77Å; Q372-G375 PolarHBondContact O-N 3.09Å; Q372-Q376 WeakPolarHBondContact O-CB 3.33Å; Q372-Q376 PolarHBondContact O-N 2.86Å
373L95.6Very high94.6Very high23 Ų2359 Ų5912%0.1233%0.332CS..Hα-helixtrans-61.5-45.9177.617661.1000111.5V283 H286 A369 K370 Q376 F377 I411V283-L373 HydrophobicContact CG2-CD2 3.72Å; H286-L373 WeakPolarHBondContact CE1-CD1 3.38Å; A369-L373 WeakPolarHBondContact O-CB 3.37Å; A369-L373 PolarHBondContact O-N 2.85Å; K370-L373 PolarHBondContact O-N 3.07Å; L373-Q376 PolarHBondContact O-N 2.79Å; L373-F377 WeakPolarHBondContact O-CB 3.39Å; L373-F377 PolarHBondContact O-N 2.87Å; L373-I411 HydrophobicContact CD2-CD1 4.05Å; L373-I411 HydrophobicContact CD2-CG1 3.95Å; L373-I411 HydrophobicContact CD2-CG2 4.01Å; L373-I411 HydrophobicContact CG-CD1 3.98Å; L373-I411 HydrophobicContact CG-CG1 4.43Å
374K96.3Very high94.5Very high49 Ų4959.6 Ų59.621%0.21333%0.329CS..Hα-helixtrans-62-45.6175.2-72.2-168.9-60.7-171.70111.6K370 F377 L378 I411 D412K370-K374 WeakPolarHBondContact O-CB 3.4Å; K370-K374 WeakPolarHBondContact O-CG 3.22Å; K370-K374 PolarHBondContact O-N 3.31Å; K374-F377 PolarHBondContact O-N 3.29Å; K374-L378 WeakPolarHBondContact O-CB 3.29Å; K374-L378 VanDerWaalsContact O-CG 3.29Å; K374-L378 WeakPolarHBondContact O-CG 3.38Å; K374-L378 PolarHBondContact O-N 2.91Å; K374-I411 HydrophobicContact CD-CG2 4.39Å; K374-I411 HydrophobicContact CG-CB 4.17Å; K374-I411 HydrophobicContact CG-CD1 3.77Å; K374-I411 HydrophobicContact CG-CG2 3.91Å; K374-D412 WeakPolarHBondContact CE-OD1 3.44Å; K374-D412 IonicContact NZ-OD1 3.52Å; K374-D412 PolarHBondContact NZ-OD1 3.38Å; K374-D412 IonicContact NZ-OD2 2.77Å; K374-D412 PolarHBondContact NZ-OD2 2.85Å
375G95.1Very high94.4Very high24 Ų2462.6 Ų62.625%0.24733%0.332CS..Hα-helixtrans-58.7-48.6177.600000111.9A371 Q372 F377 L378 M379A371-G375 PolarHBondContact O-N 3.05Å; Q372-G375 PolarHBondContact O-N 3.09Å; G375-F377 PolarHBondContact O-N 3.49Å; G375-L378 PolarHBondContact O-N 3.42Å; G375-M379 VanDerWaalsContact O-CB 3.25Å; G375-M379 WeakPolarHBondContact O-CB 3.37Å; G375-M379 WeakPolarHBondContact O-CG 3.42Å; G375-M379 PolarHBondContact O-N 2.97Å
376Q93.3Very high94.4Very high117 Ų11762.2 Ų62.255%0.54733%0.333SS..Hα-helixtrans-60.4-45177.7-177.3177-4.100111.9H286 Q372 L373 S380H286-Q376 PolarHBondContact NE2-OE1 2.82Å; Q372-Q376 WeakPolarHBondContact O-CB 3.33Å; Q372-Q376 PolarHBondContact O-N 2.86Å; L373-Q376 PolarHBondContact O-N 2.79Å; Q376-S380 PolarHBondContact O-N 2.9Å
377F94Very high94.4Very high42 Ų4262.8 Ų62.818%0.18434%0.336CS..Hα-helixtrans-62.8-51.1178.4172.4-112.1000111.7L373 K374 G375 M379 S380 L381 I407L373-F377 WeakPolarHBondContact O-CB 3.39Å; L373-F377 PolarHBondContact O-N 2.87Å; K374-F377 PolarHBondContact O-N 3.29Å; G375-F377 PolarHBondContact O-N 3.49Å; F377-M379 PolarHBondContact O-N 3.41Å; F377-S380 PolarHBondContact O-N 3.36Å; F377-S380 PolarHBondContact O-OG 3.41Å; F377-L381 HydrophobicContact CD1-CD1 4.42Å; F377-L381 HydrophobicContact CE1-CD1 3.84Å; F377-L381 HydrophobicContact CE2-CD1 4.08Å; F377-L381 HydrophobicContact CE2-CD2 4.39Å; F377-L381 HydrophobicContact CE2-CG 4.4Å; F377-L381 HydrophobicContact CZ-CD1 3.64Å; F377-L381 HydrophobicContact CZ-CG 4.44Å; F377-L381 WeakPolarHBondContact O-CG 3.43Å; F377-L381 PolarHBondContact O-N 3.28Å; F377-I407 HydrophobicContact CD1-CG2 4.06Å; F377-I407 HydrophobicContact CE1-CB 3.97Å; F377-I407 HydrophobicContact CE1-CD1 4.01Å; F377-I407 HydrophobicContact CE1-CG2 3.72Å; F377-I407 HydrophobicContact CE2-CD1 4.2Å; F377-I407 HydrophobicContact CZ-CB 4.26Å; F377-I407 HydrophobicContact CZ-CD1 3.43Å; F377-I407 VanDerWaalsContact CZ-CD1 3.43Å; F377-I407 HydrophobicContact CZ-CG1 4.43Å; F377-I407 HydrophobicContact CZ-CG2 4.01Å
378L95.3Very high94.4Very high63 Ų6358.3 Ų58.333%0.3331%0.308SS..Hα-helixtrans-64-42.6-178.8-66.3173.8000111.7K374 G375 S380 L381 Q404K374-L378 WeakPolarHBondContact O-CB 3.29Å; K374-L378 VanDerWaalsContact O-CG 3.29Å; K374-L378 WeakPolarHBondContact O-CG 3.38Å; K374-L378 PolarHBondContact O-N 2.91Å; G375-L378 PolarHBondContact O-N 3.42Å; L378-S380 VanDerWaalsContact C-N 3.3Å; L378-S380 PolarHBondContact O-N 2.78Å; L378-L381 WeakPolarHBondContact O-CB 3.49Å; L378-L381 PolarHBondContact O-N 3.34Å; L378-L381 VanDerWaalsContact O-N 3.11Å; L378-Q404 HydrophobicContact CD2-CB 3.86Å; L378-Q404 HydrophobicContact CD2-CG 4.25Å
379M95Very high94.3Very high124 Ų12459.3 Ų59.361%0.61132%0.316SS*.Hα-helixtrans-63-34.3176.1-70.9171.5178.600112.3G375 F377 L381 E382G375-M379 VanDerWaalsContact O-CB 3.25Å; G375-M379 WeakPolarHBondContact O-CB 3.37Å; G375-M379 WeakPolarHBondContact O-CG 3.42Å; G375-M379 PolarHBondContact O-N 2.97Å; F377-M379 PolarHBondContact O-N 3.41Å; M379-L381 PolarHBondContact O-N 3.15Å; M379-E382 WeakPolarHBondContact O-CB 3.2Å; M379-E382 PolarHBondContact O-N 3.38Å
380S94.1Very high94.3Very high54 Ų5460 Ų6038%0.37832%0.322SS..Hα-helixtrans-64.4-31.2175.567.40000112.7Q376 F377 L378 E382 T383 G386Q376-S380 PolarHBondContact O-N 2.9Å; F377-S380 PolarHBondContact O-N 3.36Å; F377-S380 PolarHBondContact O-OG 3.41Å; L378-S380 VanDerWaalsContact C-N 3.3Å; L378-S380 PolarHBondContact O-N 2.78Å; S380-E382 VanDerWaalsContact C-N 3.27Å; S380-E382 PolarHBondContact O-N 2.96Å; S380-T383 PolarHBondContact O-N 3Å; S380-T383 PolarHBondContact O-OG1 3.13Å; S380-G386 WeakPolarHBondContact O-CA 3.33Å
381L93.8Very high94.2Very high11 Ų1158.6 Ų58.66%0.05832%0.316CS..THydrogen-bonded Turntrans-76.7-11.6179.8-59.7176.1000113.4F377 L378 M379 T383 L387 A390 Q404F377-L381 HydrophobicContact CD1-CD1 4.42Å; F377-L381 HydrophobicContact CE1-CD1 3.84Å; F377-L381 HydrophobicContact CE2-CD1 4.08Å; F377-L381 HydrophobicContact CE2-CD2 4.39Å; F377-L381 HydrophobicContact CE2-CG 4.4Å; F377-L381 HydrophobicContact CZ-CD1 3.64Å; F377-L381 HydrophobicContact CZ-CG 4.44Å; F377-L381 WeakPolarHBondContact O-CG 3.43Å; F377-L381 PolarHBondContact O-N 3.28Å; L378-L381 WeakPolarHBondContact O-CB 3.49Å; L378-L381 PolarHBondContact O-N 3.34Å; L378-L381 VanDerWaalsContact O-N 3.11Å; M379-L381 PolarHBondContact O-N 3.15Å; L381-T383 PolarHBondContact O-N 3.26Å; L381-L387 HydrophobicContact CD2-CD1 4.23Å; L381-A390 HydrophobicContact CD2-CB 3.37Å; L381-Q404 HydrophobicContact CD1-CG 3.55Å; L381-Q404 VanDerWaalsContact CD1-NE2 3.33Å
382E93.2Very high94.2Very high158 Ų15855.9 Ų55.974%0.73829%0.293SS*.THydrogen-bonded Turntrans-68.3-24.1175.8-63.5177.7172.600111.8M379 S380M379-E382 WeakPolarHBondContact O-CB 3.2Å; M379-E382 PolarHBondContact O-N 3.38Å; S380-E382 VanDerWaalsContact C-N 3.27Å; S380-E382 PolarHBondContact O-N 2.96Å
383T93.1Very high94.1Very high75 Ų7554.2 Ų54.246%0.4629%0.29SS..SBendtrans-86.1141.117568.40000110.6S380 L381 E385 G386 L387S380-T383 PolarHBondContact O-N 3Å; S380-T383 PolarHBondContact O-OG1 3.13Å; L381-T383 PolarHBondContact O-N 3.26Å; T383-E385 PolarHBondContact O-N 3.4Å; T383-G386 PolarHBondContact O-N 2.81Å; T383-G386 PolarHBondContact OG1-N 3.02Å; T383-L387 WeakPolarHBondContact O-CB 3.43Å; T383-L387 PolarHBondContact O-N 3.37Å
384T91.6Very high94Very high76 Ų7654.3 Ų54.347%0.46629%0.29SS..Hα-helixtrans-61-32175.753.50000112L218 L388L218-T384 HydrophobicContact CD2-CG2 3.86Å; T384-L388 VanDerWaalsContact O-CB 3.31Å; T384-L388 WeakPolarHBondContact O-CB 3.17Å; T384-L388 PolarHBondContact O-N 3.06Å
385E92.1Very high93.9Very high130 Ų13052 Ų5261%0.60728%0.28SS*.Hα-helixtrans-66.2-52.9173.5-176172-168.900111.8T383 L387 L388 E389T383-E385 PolarHBondContact O-N 3.4Å; E385-L387 VanDerWaalsContact C-N 3.32Å; E385-L387 PolarHBondContact O-N 2.79Å; E385-L388 PolarHBondContact O-N 3.34Å; E385-E389 WeakPolarHBondContact O-CB 3.28Å; E385-E389 PolarHBondContact O-N 3.21Å
386G93.6Very high93.7Very high12 Ų1251.3 Ų51.312%0.12427%0.271CS..Hα-helixtrans-64.3-35.618000000113S380 T383 A390S380-G386 WeakPolarHBondContact O-CA 3.33Å; T383-G386 PolarHBondContact O-N 2.81Å; T383-G386 PolarHBondContact OG1-N 3.02Å; G386-A390 VanDerWaalsContact O-CB 3.29Å; G386-A390 WeakPolarHBondContact O-CB 3.16Å; G386-A390 PolarHBondContact O-N 3.16Å
387L94.7Very high93.5Very high24 Ų2449 Ų4913%0.12627%0.272CS..Hα-helixtrans-66.8-45.6173.4-175.756.7000112.2L47 L218 L381 T383 E385 E389 A390 M391L47-L387 HydrophobicContact CD2-CD2 3.74Å; L218-L387 HydrophobicContact CD1-CD2 3.85Å; L218-L387 HydrophobicContact CD1-CG 4.49Å; L218-L387 HydrophobicContact CD2-CD2 4.44Å; L381-L387 HydrophobicContact CD2-CD1 4.23Å; T383-L387 WeakPolarHBondContact O-CB 3.43Å; T383-L387 PolarHBondContact O-N 3.37Å; E385-L387 VanDerWaalsContact C-N 3.32Å; E385-L387 PolarHBondContact O-N 2.79Å; L387-E389 VanDerWaalsContact C-N 3.35Å; L387-E389 PolarHBondContact O-N 3.41Å; L387-A390 PolarHBondContact O-N 3.42Å; L387-M391 HydrophobicContact CD1-CG 4.46Å; L387-M391 HydrophobicContact CD1-SD 4.26Å; L387-M391 HydrophobicContact CG-SD 4.04Å; L387-M391 VanDerWaalsContact O-CG 3.32Å; L387-M391 WeakPolarHBondContact O-CG 3.42Å; L387-M391 PolarHBondContact O-N 2.79Å
388L95.3Very high93.1Very high4 Ų452 Ų522%0.02129%0.29CS..Hα-helixtrans-60.8-44.9175.9-172.891.9000111K55 F59 V117 V216 L218 T384 E385 M391 G392K55-L388 HydrophobicContact CD-CB 3.9Å; K55-L388 HydrophobicContact CD-CD1 4.42Å; K55-L388 HydrophobicContact CD-CD2 3.76Å; K55-L388 HydrophobicContact CD-CG 4.21Å; K55-L388 HydrophobicContact CG-CD1 4.11Å; K55-L388 HydrophobicContact CG-CD2 3.83Å; K55-L388 HydrophobicContact CG-CG 4.34Å; F59-L388 HydrophobicContact CE2-CD2 3.86Å; F59-L388 HydrophobicContact CE2-CG 4.02Å; F59-L388 HydrophobicContact CZ-CD2 3.87Å; F59-L388 HydrophobicContact CZ-CG 4.05Å; V117-L388 HydrophobicContact CB-CD2 4.38Å; V117-L388 HydrophobicContact CG1-CD2 3.69Å; V117-L388 HydrophobicContact CG2-CD2 3.71Å; V216-L388 HydrophobicContact CB-CD1 4.08Å; V216-L388 HydrophobicContact CG1-CD1 3.67Å; V216-L388 HydrophobicContact CG1-CG 4.22Å; L218-L388 HydrophobicContact CB-CD1 4.32Å; T384-L388 VanDerWaalsContact O-CB 3.31Å; T384-L388 WeakPolarHBondContact O-CB 3.17Å; T384-L388 PolarHBondContact O-N 3.06Å; E385-L388 PolarHBondContact O-N 3.34Å; L388-M391 PolarHBondContact O-N 2.93Å; L388-G392 PolarHBondContact O-N 3.48Å
389E94.1Very high92.8Very high95 Ų9550.3 Ų50.344%0.44429%0.288SS..Hα-helixtrans-64.1-40.9178.9-172.4176-177.500111.7M115 E385 L387 G392 S393M115-E389 HydrophobicContact CE-CG 4.02Å; M115-E389 HydrophobicContact SD-CG 4.29Å; E385-E389 WeakPolarHBondContact O-CB 3.28Å; E385-E389 PolarHBondContact O-N 3.21Å; L387-E389 VanDerWaalsContact C-N 3.35Å; L387-E389 PolarHBondContact O-N 3.41Å; E389-G392 PolarHBondContact O-N 3.18Å; E389-S393 VanDerWaalsContact O-CB 3.23Å; E389-S393 WeakPolarHBondContact O-CB 3.49Å; E389-S393 PolarHBondContact O-N 2.76Å; E389-S393 PolarHBondContact O-OG 3.1Å
390A93.7Very high92.6Very high14 Ų1446.3 Ų46.312%0.11627%0.272CS..Hα-helixtrans-63.9-42.1175.200000112.2L381 G386 L387 S393 Q394L381-A390 HydrophobicContact CD2-CB 3.37Å; G386-A390 VanDerWaalsContact O-CB 3.29Å; G386-A390 WeakPolarHBondContact O-CB 3.16Å; G386-A390 PolarHBondContact O-N 3.16Å; L387-A390 PolarHBondContact O-N 3.42Å; A390-S393 PolarHBondContact O-OG 3.28Å; A390-Q394 WeakPolarHBondContact O-CB 3.47Å; A390-Q394 VanDerWaalsContact O-CG 3.24Å; A390-Q394 WeakPolarHBondContact O-CG 3.16Å; A390-Q394 PolarHBondContact O-N 3.2Å; A390-Q394 PolarHBondContact O-NE2 3.15Å
391M95.2Very high92.5Very high0 Ų045.8 Ų45.80%026%0.262CS..Hα-helixtrans-64-46.3174.8-72.4166.163.600111.3V33 T45 L47 V216 L387 L388 A395 Y401V33-M391 HydrophobicContact CG1-CE 4.15Å; V33-M391 HydrophobicContact CG2-CE 4.48Å; V33-M391 HydrophobicContact CG2-CG 4.47Å; V33-M391 HydrophobicContact CG2-SD 4.39Å; T45-M391 HydrophobicContact CG2-CB 4.02Å; T45-M391 HydrophobicContact CG2-CE 3.75Å; T45-M391 HydrophobicContact CG2-CG 4.38Å; L47-M391 HydrophobicContact CB-CE 3.68Å; L47-M391 HydrophobicContact CB-SD 4.06Å; L47-M391 HydrophobicContact CD2-SD 4.46Å; V216-M391 HydrophobicContact CG1-CB 3.72Å; V216-M391 HydrophobicContact CG1-CE 3.93Å; L387-M391 HydrophobicContact CD1-CG 4.46Å; L387-M391 HydrophobicContact CD1-SD 4.26Å; L387-M391 HydrophobicContact CG-SD 4.04Å; L387-M391 VanDerWaalsContact O-CG 3.32Å; L387-M391 WeakPolarHBondContact O-CG 3.42Å; L387-M391 PolarHBondContact O-N 2.79Å; L388-M391 PolarHBondContact O-N 2.93Å; M391-A395 WeakPolarHBondContact O-CB 3.25Å; M391-A395 PolarHBondContact O-N 2.92Å; M391-Y401 HydrophobicContact CB-CE2 4.45Å; M391-Y401 HydrophobicContact CG-CD2 4.1Å; M391-Y401 HydrophobicContact CG-CE2 3.69Å
392G94.8Very high92.5Very high0 Ų048.5 Ų48.50%027%0.274CS..Hα-helixtrans-72.7-40.4-176.100000114.6V216 L388 E389 A395 L396V216-G392 VanDerWaalsContact CG2-CA 3.48Å; L388-G392 PolarHBondContact O-N 3.48Å; E389-G392 PolarHBondContact O-N 3.18Å; G392-A395 PolarHBondContact O-N 2.96Å; G392-L396 WeakPolarHBondContact O-CB 3.4Å; G392-L396 PolarHBondContact O-N 3.44Å
393S92.6Very high92.4Very high44 Ų4443.4 Ų43.431%0.30825%0.254SS..Hα-helixtrans-63.8-43.2176.856.40000112E389 A390 L396 A397E389-S393 VanDerWaalsContact O-CB 3.23Å; E389-S393 WeakPolarHBondContact O-CB 3.49Å; E389-S393 PolarHBondContact O-N 2.76Å; E389-S393 PolarHBondContact O-OG 3.1Å; A390-S393 PolarHBondContact O-OG 3.28Å; S393-L396 PolarHBondContact O-N 2.93Å; S393-A397 VanDerWaalsContact O-CB 3.31Å; S393-A397 WeakPolarHBondContact O-CB 3.23Å; S393-A397 PolarHBondContact O-N 2.79Å
394Q93.7Very high92.4Very high24 Ų2443.1 Ų43.111%0.11225%0.247CC..Hα-helixtrans-67.6-44.6176.4-68.4-173.868.100112.2A390 L396 A397 D398 S400 H402A390-Q394 WeakPolarHBondContact O-CB 3.47Å; A390-Q394 VanDerWaalsContact O-CG 3.24Å; A390-Q394 WeakPolarHBondContact O-CG 3.16Å; A390-Q394 PolarHBondContact O-N 3.2Å; A390-Q394 PolarHBondContact O-NE2 3.15Å; Q394-L396 PolarHBondContact O-N 2.83Å; Q394-A397 PolarHBondContact O-N 2.84Å; Q394-D398 PolarHBondContact O-N 2.71Å; Q394-S400 CarbonylContact C-O 3.46Å; Q394-S400 VanDerWaalsContact C-O 3.25Å; Q394-S400 WeakPolarHBondContact CB-O 3Å; Q394-H402 PolarHBondContact OE1-ND1 2.74Å; Q394-H402 VanDerWaalsContact OE1-ND1 3.17Å
395A93.7Very high92.5Very high1 Ų145.6 Ų45.61%0.00825%0.254CS..Hα-helixtrans-59.1-38.4176.100000112.1V43 T45 A214 M391 G392 G399 S400V43-A395 HydrophobicContact CG1-CB 3.92Å; T45-A395 VanDerWaalsContact OG1-CB 3.25Å; T45-A395 WeakPolarHBondContact OG1-CB 3.29Å; A214-A395 HydrophobicContact CB-CB 3.94Å; M391-A395 WeakPolarHBondContact O-CB 3.25Å; M391-A395 PolarHBondContact O-N 2.92Å; G392-A395 PolarHBondContact O-N 2.96Å; A395-G399 VanDerWaalsContact O-CA 3.22Å; A395-G399 WeakPolarHBondContact O-CA 3.34Å; A395-G399 PolarHBondContact O-N 2.99Å; A395-G399 VanDerWaalsContact O-N 3.12Å; A395-S400 PolarHBondContact N-O 3.42Å
396L91.5Very high92.6Very high10 Ų1043.8 Ų43.85%0.05225%0.245CC..Hα-helixtrans-76.2-31.6179.8-168.365.8000113.4F59 R61 N113 R212 A214 G392 S393 Q394F59-L396 HydrophobicContact CB-CD2 4.41Å; R61-L396 HydrophobicContact CB-CD1 3.89Å; R61-L396 HydrophobicContact CB-CD2 4.01Å; R61-L396 HydrophobicContact CB-CG 4.04Å; R61-L396 PolarHBondContact NH1-O 3.18Å; N113-L396 HydrophobicContact CB-CD2 4.14Å; N113-L396 VanDerWaalsContact OD1-CD2 3.24Å; N113-L396 WeakPolarHBondContact OD1-CD2 3.15Å; R212-L396 WeakPolarHBondContact O-CD1 3.45Å; A214-L396 HydrophobicContact CB-CB 4.49Å; A214-L396 HydrophobicContact CB-CD1 4.4Å; G392-L396 WeakPolarHBondContact O-CB 3.4Å; G392-L396 PolarHBondContact O-N 3.44Å; S393-L396 PolarHBondContact O-N 2.93Å; Q394-L396 PolarHBondContact O-N 2.83Å
397A88.8Confident92.5Very high69 Ų6944.7 Ų44.757%0.5725%0.247SC*.Hα-helixtrans-76.4-59.8-179.900000111.7S393 Q394S393-A397 VanDerWaalsContact O-CB 3.31Å; S393-A397 WeakPolarHBondContact O-CB 3.23Å; S393-A397 PolarHBondContact O-N 2.79Å; Q394-A397 PolarHBondContact O-N 2.84Å
398D84.7Confident92.6Very high103 Ų10344.5 Ų44.555%0.55125%0.247SC*.Hα-helixtrans-115.4-8.9-167.4-61.9-28.3000112.8Q394 S400 H402Q394-D398 PolarHBondContact O-N 2.71Å; D398-S400 PolarHBondContact O-N 2.93Å; D398-H402 IonicContact OD2-CE1 2.64Å
399G89.3Confident92.6Very high29 Ų2950.7 Ų50.730%0.29927%0.274SS..SBendtrans68.319.9-172.300000113V35 A395V35-G399 WeakPolarHBondContact CG1-O 3.4Å; A395-G399 VanDerWaalsContact O-CA 3.22Å; A395-G399 WeakPolarHBondContact O-CA 3.34Å; A395-G399 PolarHBondContact O-N 2.99Å; A395-G399 VanDerWaalsContact O-N 3.12Å
400S91.3Very high92.7Very high39 Ų3949.8 Ų49.827%0.27327%0.273SS..SBendtrans-133.4172.1179.665.50000110.5Q394 A395 D398 H402Q394-S400 CarbonylContact C-O 3.46Å; Q394-S400 VanDerWaalsContact C-O 3.25Å; Q394-S400 WeakPolarHBondContact CB-O 3Å; A395-S400 PolarHBondContact N-O 3.42Å; D398-S400 PolarHBondContact O-N 2.93Å; S400-H402 PolarHBondContact OG-CE1 3.28Å
401Y92.7Very high92.8Very high43 Ų4349.3 Ų49.317%0.16927%0.268CS..  trans-130.2123.4171.4177.7-99.4000108.2V33 M391V33-Y401 HydrophobicContact CB-CD1 3.59Å; V33-Y401 HydrophobicContact CB-CE1 3.74Å; V33-Y401 HydrophobicContact CB-CG 4.11Å; V33-Y401 HydrophobicContact CG1-CD1 3.77Å; V33-Y401 HydrophobicContact CG1-CD2 4.19Å; V33-Y401 HydrophobicContact CG1-CE1 4.23Å; V33-Y401 HydrophobicContact CG1-CG 3.73Å; V33-Y401 HydrophobicContact CG2-CD1 3.9Å; V33-Y401 HydrophobicContact CG2-CE1 3.5Å; V33-Y401 VanDerWaalsContact CG2-CE1 3.5Å; V33-Y401 HydrophobicContact CG2-CE2 4.37Å; V33-Y401 HydrophobicContact CG2-CG 4.48Å; M391-Y401 HydrophobicContact CB-CE2 4.45Å; M391-Y401 HydrophobicContact CG-CD2 4.1Å; M391-Y401 HydrophobicContact CG-CE2 3.69Å
402H92.6Very high92.9Very high69 Ų6952.8 Ų52.832%0.31929%0.287SS..  trans-95134.9174.4-54.593.3000109.1Q394 D398 S400 E406 I407Q394-H402 PolarHBondContact OE1-ND1 2.74Å; Q394-H402 VanDerWaalsContact OE1-ND1 3.17Å; D398-H402 IonicContact OD2-CE1 2.64Å; S400-H402 PolarHBondContact OG-CE1 3.28Å; H402-E406 VanDerWaalsContact CA-OE2 3.23Å; H402-E406 WeakPolarHBondContact CA-OE2 3.49Å; H402-E406 IonicContact CD2-OE2 2.95Å; H402-I407 HydrophobicContact CB-CD1 4.18Å; H402-I407 HydrophobicContact CB-CG1 4.02Å
403T92.5Very high93Very high50 Ų5057.8 Ų57.831%0.30731%0.313SS..  trans-73.2165.8-176.483.60000111.7E405 E406 I407T403-E405 WeakPolarHBondContact CB-OE2 3.22Å; T403-E405 PolarHBondContact O-N 2.66Å; T403-E405 PolarHBondContact OG1-N 2.98Å; T403-E405 PolarHBondContact OG1-OE2 3.4Å; T403-E406 PolarHBondContact N-OE2 2.89Å; T403-E406 PolarHBondContact O-N 3.41Å; T403-E406 PolarHBondContact OG1-N 2.83Å; T403-I407 WeakPolarHBondContact O-CG1 3.37Å; T403-I407 PolarHBondContact O-N 3.38Å
404Q92.1Very high93.2Very high69 Ų6956.1 Ų56.132%0.32230%0.301SS..Hα-helixtrans-60.6-35.3178.2-59.7-178.90.600111.5L378 L381 S408L378-Q404 HydrophobicContact CD2-CB 3.86Å; L378-Q404 HydrophobicContact CD2-CG 4.25Å; L381-Q404 HydrophobicContact CD1-CG 3.55Å; L381-Q404 VanDerWaalsContact CD1-NE2 3.33Å; Q404-S408 WeakPolarHBondContact O-CB 3.43Å; Q404-S408 PolarHBondContact O-N 2.74Å; Q404-S408 PolarHBondContact O-OG 3.33Å
405E93.6Very high93.4Very high129 Ų12957 Ų5760%0.60331%0.31SS*.Hα-helixtrans-69.3-43.2177.7-59.470.7-152.800111.5T403 S408 K409T403-E405 WeakPolarHBondContact CB-OE2 3.22Å; T403-E405 PolarHBondContact O-N 2.66Å; T403-E405 PolarHBondContact OG1-N 2.98Å; T403-E405 PolarHBondContact OG1-OE2 3.4Å; E405-S408 PolarHBondContact O-N 3.46Å; E405-K409 WeakPolarHBondContact O-CB 3.41Å; E405-K409 PolarHBondContact O-N 2.84Å
406E93.6Very high93.5Very high92 Ų9260.2 Ų60.243%0.4333%0.327SS..Hα-helixtrans-63.2-47.3177.7-69.2178.2150.200111.3H402 T403 S408 K409 N410H402-E406 VanDerWaalsContact CA-OE2 3.23Å; H402-E406 WeakPolarHBondContact CA-OE2 3.49Å; H402-E406 IonicContact CD2-OE2 2.95Å; T403-E406 PolarHBondContact N-OE2 2.89Å; T403-E406 PolarHBondContact O-N 3.41Å; T403-E406 PolarHBondContact OG1-N 2.83Å; E406-S408 VanDerWaalsContact C-N 3.34Å; E406-S408 PolarHBondContact O-N 3.48Å; E406-K409 PolarHBondContact O-N 3.28Å; E406-N410 VanDerWaalsContact O-CG 3.26Å; E406-N410 PolarHBondContact O-N 3.31Å; E406-N410 PolarHBondContact O-ND2 2.77Å
407I93.3Very high93.7Very high31 Ų3164 Ų6416%0.15935%0.35CS..Hα-helixtrans-63.3-43.3177-66.7168.6000110.3F377 H402 T403 K409 N410 I411F377-I407 HydrophobicContact CD1-CG2 4.06Å; F377-I407 HydrophobicContact CE1-CB 3.97Å; F377-I407 HydrophobicContact CE1-CD1 4.01Å; F377-I407 HydrophobicContact CE1-CG2 3.72Å; F377-I407 HydrophobicContact CE2-CD1 4.2Å; F377-I407 HydrophobicContact CZ-CB 4.26Å; F377-I407 HydrophobicContact CZ-CD1 3.43Å; F377-I407 VanDerWaalsContact CZ-CD1 3.43Å; F377-I407 HydrophobicContact CZ-CG1 4.43Å; F377-I407 HydrophobicContact CZ-CG2 4.01Å; H402-I407 HydrophobicContact CB-CD1 4.18Å; H402-I407 HydrophobicContact CB-CG1 4.02Å; T403-I407 WeakPolarHBondContact O-CG1 3.37Å; T403-I407 PolarHBondContact O-N 3.38Å; I407-K409 VanDerWaalsContact C-N 3.33Å; I407-K409 PolarHBondContact O-N 3.19Å; I407-N410 PolarHBondContact O-N 3.06Å; I407-I411 HydrophobicContact CG2-CD1 4.09Å; I407-I411 WeakPolarHBondContact O-CG1 3.31Å; I407-I411 PolarHBondContact O-N 2.88Å
408S95.4Very high94.1Very high19 Ų1963.9 Ų63.913%0.13334%0.34CS..Hα-helixtrans-60.4-41.7176.5-67.40000112.3Q404 E405 E406 I411 D412Q404-S408 WeakPolarHBondContact O-CB 3.43Å; Q404-S408 PolarHBondContact O-N 2.74Å; Q404-S408 PolarHBondContact O-OG 3.33Å; E405-S408 PolarHBondContact O-N 3.46Å; E406-S408 VanDerWaalsContact C-N 3.34Å; E406-S408 PolarHBondContact O-N 3.48Å; S408-I411 PolarHBondContact O-N 2.93Å; S408-D412 PolarHBondContact O-N 3.34Å
409K96.2Very high94.7Very high135 Ų13559 Ų5959%0.58731%0.314SS*.Hα-helixtrans-64.7-41175.8-174.3-179.7179.9-177.40111.7E405 E406 I407 I411 D412 N413E405-K409 WeakPolarHBondContact O-CB 3.41Å; E405-K409 PolarHBondContact O-N 2.84Å; E406-K409 PolarHBondContact O-N 3.28Å; I407-K409 VanDerWaalsContact C-N 3.33Å; I407-K409 PolarHBondContact O-N 3.19Å; K409-I411 VanDerWaalsContact C-N 3.3Å; K409-I411 PolarHBondContact O-N 2.85Å; K409-D412 PolarHBondContact O-N 3.47Å; K409-D412 VanDerWaalsContact O-N 3.16Å; K409-N413 PolarHBondContact O-N 3.32Å; K409-N413 PolarHBondContact O-ND2 3.3Å
410N95.6Very high95.1Very high76 Ų7658.3 Ų58.341%0.40631%0.306SS..Hα-helixtrans-62.3-38.4175.9-70.2-20.7000111.7L279 E406 I407 N413L279-N410 HydrophobicContact CD1-CB 3.85Å; E406-N410 VanDerWaalsContact O-CG 3.26Å; E406-N410 PolarHBondContact O-N 3.31Å; E406-N410 PolarHBondContact O-ND2 2.77Å; I407-N410 PolarHBondContact O-N 3.06Å; N410-N413 PolarHBondContact O-N 3.05Å
411I96.6Very high95.3Very high4 Ų460.2 Ų60.22%0.02131%0.313CS..Hα-helixtrans-65.1-42.6172.8-65.7162.1000111V283 K370 L373 K374 I407 S408 K409 N413 V414V283-I411 HydrophobicContact CG2-CG2 4.44Å; K370-I411 HydrophobicContact CB-CG2 4.05Å; K370-I411 VanDerWaalsContact CE-O 3.28Å; K370-I411 WeakPolarHBondContact CE-O 3.43Å; K370-I411 HydrophobicContact CG-CG2 4.03Å; L373-I411 HydrophobicContact CD2-CD1 4.05Å; L373-I411 HydrophobicContact CD2-CG1 3.95Å; L373-I411 HydrophobicContact CD2-CG2 4.01Å; L373-I411 HydrophobicContact CG-CD1 3.98Å; L373-I411 HydrophobicContact CG-CG1 4.43Å; K374-I411 HydrophobicContact CD-CG2 4.39Å; K374-I411 HydrophobicContact CG-CB 4.17Å; K374-I411 HydrophobicContact CG-CD1 3.77Å; K374-I411 HydrophobicContact CG-CG2 3.91Å; I407-I411 HydrophobicContact CG2-CD1 4.09Å; I407-I411 WeakPolarHBondContact O-CG1 3.31Å; I407-I411 PolarHBondContact O-N 2.88Å; S408-I411 PolarHBondContact O-N 2.93Å; K409-I411 VanDerWaalsContact C-N 3.3Å; K409-I411 PolarHBondContact O-N 2.85Å; I411-N413 PolarHBondContact O-N 3.44Å; I411-V414 WeakPolarHBondContact O-CB 3.28Å; I411-V414 PolarHBondContact O-N 3.3Å
412D96.4Very high95.6Very high73 Ų7358.3 Ų58.339%0.3931%0.306SS..Hα-helixtrans-65.1-27.9179.6-74-29.3000112.9K370 K374 S408 K409 V414K370-D412 PolarHBondContact NZ-O 3.35Å; K374-D412 WeakPolarHBondContact CE-OD1 3.44Å; K374-D412 IonicContact NZ-OD1 3.52Å; K374-D412 PolarHBondContact NZ-OD1 3.38Å; K374-D412 IonicContact NZ-OD2 2.77Å; K374-D412 PolarHBondContact NZ-OD2 2.85Å; S408-D412 PolarHBondContact O-N 3.34Å; K409-D412 PolarHBondContact O-N 3.47Å; K409-D412 VanDerWaalsContact O-N 3.16Å; D412-V414 VanDerWaalsContact C-N 3.31Å; D412-V414 PolarHBondContact O-N 3.07Å
413N96.6Very high95.8Very high104 Ų10455 Ų5556%0.55629%0.291SS*.THydrogen-bonded Turntrans-74.1-14.9177.2-69.5-24.8000114.4K409 N410 I411 S415K409-N413 PolarHBondContact O-N 3.32Å; K409-N413 PolarHBondContact O-ND2 3.3Å; N410-N413 PolarHBondContact O-N 3.05Å; I411-N413 PolarHBondContact O-N 3.44Å; N413-S415 PolarHBondContact O-N 3.44Å
414V97.4Very high96.1Very high9 Ų957.2 Ų57.26%0.05530%0.296CS..  trans-65.2123.6-179178.30000110.8L279 A280 V283 K370 I411 D412 D418 V419L279-V414 HydrophobicContact CB-CG2 4.34Å; A280-V414 HydrophobicContact CB-CG1 4.38Å; V283-V414 HydrophobicContact CB-CG1 4.22Å; V283-V414 HydrophobicContact CG1-CG1 4.37Å; V283-V414 HydrophobicContact CG2-CB 4.2Å; V283-V414 HydrophobicContact CG2-CG1 4.08Å; V283-V414 HydrophobicContact CG2-CG2 4.09Å; K370-V414 WeakPolarHBondContact CE-O 3.31Å; K370-V414 PolarHBondContact NZ-O 3.43Å; I411-V414 WeakPolarHBondContact O-CB 3.28Å; I411-V414 PolarHBondContact O-N 3.3Å; D412-V414 VanDerWaalsContact C-N 3.31Å; D412-V414 PolarHBondContact O-N 3.07Å; V414-D418 HydrophobicContact CG1-CB 4.1Å; V414-V419 HydrophobicContact CG1-CG2 3.94Å
415S96.9Very high96.3Very high44 Ų4457.3 Ų57.331%0.30830%0.295SS..  trans-91167.1-178.673.90000113N413 T417 D418 V419N413-S415 PolarHBondContact O-N 3.44Å; S415-T417 PolarHBondContact O-N 3.25Å; S415-T417 PolarHBondContact OG-N 3.18Å; S415-D418 VanDerWaalsContact CB-OD2 3.32Å; S415-D418 WeakPolarHBondContact CB-OD2 3.1Å; S415-D418 PolarHBondContact N-OD2 3.15Å; S415-D418 PolarHBondContact O-N 3.48Å; S415-D418 PolarHBondContact OG-N 3.34Å; S415-D418 VanDerWaalsContact OG-N 3.15Å; S415-D418 PolarHBondContact OG-OD2 3.3Å; S415-V419 PolarHBondContact O-N 3.1Å
416L96.4Very high96.5Very high68 Ų6851.3 Ų51.336%0.35627%0.267SS..Hα-helixtrans-59.2-36.1170-75.7171.5000111.5V361 L366 D418 V419 A420V361-L416 HydrophobicContact CB-CD2 4.22Å; V361-L416 HydrophobicContact CG1-CD2 3.74Å; L366-L416 HydrophobicContact CB-CD2 3.76Å; L366-L416 HydrophobicContact CD2-CB 4.49Å; L366-L416 HydrophobicContact CD2-CD2 3.77Å; L366-L416 HydrophobicContact CD2-CG 3.73Å; L366-L416 HydrophobicContact CG-CD2 4.3Å; L416-D418 VanDerWaalsContact C-N 3.35Å; L416-V419 PolarHBondContact O-N 3.02Å; L416-A420 WeakPolarHBondContact O-CB 3.46Å; L416-A420 PolarHBondContact O-N 3.34Å
417T96.6Very high96.6Very high89 Ų8949.4 Ų49.455%0.54626%0.262SS..Hα-helixtrans-64.1-40.9178.3-52.20000111.1S415 A420 N421S415-T417 PolarHBondContact O-N 3.25Å; S415-T417 PolarHBondContact OG-N 3.18Å; T417-A420 PolarHBondContact O-N 3.07Å; T417-N421 VanDerWaalsContact O-CB 3.31Å; T417-N421 WeakPolarHBondContact O-CB 3.44Å; T417-N421 PolarHBondContact O-N 3.24Å; T417-N421 PolarHBondContact O-ND2 2.98Å
418D96.8Very high96.7Very high66 Ų6655.9 Ų55.935%0.35329%0.293SS..Hα-helixtrans-64-43.4178.5-57.7-42.7000111.3A280 V414 S415 L416 N421 A422A280-D418 HydrophobicContact CB-CB 3.94Å; V414-D418 HydrophobicContact CG1-CB 4.1Å; S415-D418 VanDerWaalsContact CB-OD2 3.32Å; S415-D418 WeakPolarHBondContact CB-OD2 3.1Å; S415-D418 PolarHBondContact N-OD2 3.15Å; S415-D418 PolarHBondContact O-N 3.48Å; S415-D418 PolarHBondContact OG-N 3.34Å; S415-D418 VanDerWaalsContact OG-N 3.15Å; S415-D418 PolarHBondContact OG-OD2 3.3Å; L416-D418 VanDerWaalsContact C-N 3.35Å; D418-N421 PolarHBondContact O-N 2.95Å; D418-A422 WeakPolarHBondContact O-CB 3.36Å; D418-A422 PolarHBondContact O-N 3.19Å
419V96.9Very high96.8Very high0 Ų056.1 Ų56.10%030%0.299CS..Hα-helixtrans-64.5-43.6176.5176.60000111.4V283 L284 V287 V356 L366 V414 S415 L416 N421 A422 A423V283-V419 HydrophobicContact CB-CG2 4.27Å; V283-V419 HydrophobicContact CG1-CG2 3.77Å; L284-V419 HydrophobicContact CB-CG1 4.16Å; L284-V419 HydrophobicContact CD1-CG1 3.79Å; V287-V419 HydrophobicContact CG2-CG1 4.33Å; V356-V419 HydrophobicContact CG1-CG1 4.2Å; L366-V419 HydrophobicContact CD1-CG2 3.94Å; V414-V419 HydrophobicContact CG1-CG2 3.94Å; S415-V419 PolarHBondContact O-N 3.1Å; L416-V419 PolarHBondContact O-N 3.02Å; V419-N421 VanDerWaalsContact C-N 3.34Å; V419-A422 PolarHBondContact O-N 3.05Å; V419-A423 PolarHBondContact O-N 3.01Å
420A96.9Very high96.8Very high16 Ų1656.4 Ų56.413%0.13230%0.3CS..Hα-helixtrans-64-40.1176.500000111.5L416 T417 A423 K424L416-A420 WeakPolarHBondContact O-CB 3.46Å; L416-A420 PolarHBondContact O-N 3.34Å; T417-A420 PolarHBondContact O-N 3.07Å; A420-A423 PolarHBondContact O-N 3.15Å; A420-K424 WeakPolarHBondContact O-CB 3.45Å; A420-K424 VanDerWaalsContact O-CG 3.28Å; A420-K424 WeakPolarHBondContact O-CG 3.37Å; A420-K424 PolarHBondContact O-N 3.2Å
421N97.1Very high96.8Very high79 Ų7954 Ų5442%0.42229%0.286SS..Hα-helixtrans-66-42.1176.7-72.2-18.2000112T417 D418 V419 A423 K424 K425T417-N421 VanDerWaalsContact O-CB 3.31Å; T417-N421 WeakPolarHBondContact O-CB 3.44Å; T417-N421 PolarHBondContact O-N 3.24Å; T417-N421 PolarHBondContact O-ND2 2.98Å; D418-N421 PolarHBondContact O-N 2.95Å; V419-N421 VanDerWaalsContact C-N 3.34Å; N421-A423 VanDerWaalsContact C-N 3.33Å; N421-A423 PolarHBondContact O-N 3.27Å; N421-K424 PolarHBondContact O-N 3.07Å; N421-K425 PolarHBondContact O-N 3.49Å
422A97.5Very high96.9Very high2 Ų253.8 Ų53.82%0.01729%0.285CS..Hα-helixtrans-59.6-44.1173.600000111.4A280 F281 L284 D418 V419 K425 F426A280-A422 HydrophobicContact CB-CB 4.27Å; F281-A422 HydrophobicContact CD1-CB 3.93Å; F281-A422 HydrophobicContact CD2-CB 4.21Å; F281-A422 HydrophobicContact CE1-CB 3.9Å; F281-A422 VanDerWaalsContact CE1-O 3.26Å; F281-A422 WeakPolarHBondContact CE1-O 3.35Å; F281-A422 HydrophobicContact CE2-CB 4.17Å; F281-A422 HydrophobicContact CG-CB 4.09Å; F281-A422 HydrophobicContact CZ-CB 4.02Å; F281-A422 WeakPolarHBondContact CZ-O 3.3Å; L284-A422 HydrophobicContact CD2-CB 4.07Å; D418-A422 WeakPolarHBondContact O-CB 3.36Å; D418-A422 PolarHBondContact O-N 3.19Å; V419-A422 PolarHBondContact O-N 3.05Å; A422-K425 PolarHBondContact O-N 2.98Å; A422-F426 PolarHBondContact O-N 2.92Å
423A97.5Very high97Very high0 Ų050.3 Ų50.30%027%0.266CS..Hα-helixtrans-65.7-40.717600000112.5L284 V353 V356 A357 V419 A420 N421 K425 F426 V427L284-A423 HydrophobicContact CD1-CB 4.07Å; L284-A423 HydrophobicContact CD2-CB 3.89Å; V353-A423 HydrophobicContact CG1-CB 4.47Å; V356-A423 HydrophobicContact CB-CB 4.29Å; V356-A423 HydrophobicContact CG1-CB 3.8Å; A357-A423 HydrophobicContact CB-CB 3.85Å; V419-A423 PolarHBondContact O-N 3.01Å; A420-A423 PolarHBondContact O-N 3.15Å; N421-A423 VanDerWaalsContact C-N 3.33Å; N421-A423 PolarHBondContact O-N 3.27Å; A423-K425 PolarHBondContact O-N 3.07Å; A423-F426 WeakPolarHBondContact O-CB 3.31Å; A423-F426 PolarHBondContact O-N 3.12Å; A423-V427 WeakPolarHBondContact O-CG2 3.39Å; A423-V427 PolarHBondContact O-N 2.76Å
424K97.7Very high97Very high96 Ų9645.4 Ų45.442%0.41724%0.24SC..Hα-helixtrans-60.5-43.1173.5-75173.5-174.2177.10111.8A357 A420 N421 F426 V427 M428A357-K424 HydrophobicContact CB-CG 3.81Å; A357-K424 WeakPolarHBondContact O-CE 3.48Å; A420-K424 WeakPolarHBondContact O-CB 3.45Å; A420-K424 VanDerWaalsContact O-CG 3.28Å; A420-K424 WeakPolarHBondContact O-CG 3.37Å; A420-K424 PolarHBondContact O-N 3.2Å; N421-K424 PolarHBondContact O-N 3.07Å; K424-F426 VanDerWaalsContact C-N 3.28Å; K424-F426 PolarHBondContact O-N 3.31Å; K424-V427 PolarHBondContact O-N 2.96Å; K424-V427 VanDerWaalsContact O-N 3.17Å; K424-M428 WeakPolarHBondContact O-CB 3.36Å; K424-M428 WeakPolarHBondContact O-CG 3.47Å; K424-M428 PolarHBondContact O-N 2.76Å
425K97.4Very high97Very high72 Ų7245 Ų4531%0.31324%0.237SC..Hα-helixtrans-59-41.5175-176.3174.5-178.3-174.90111.1S270 E277 F281 N421 A422 A423 G429S270-K425 WeakPolarHBondContact O-CE 3.35Å; S270-K425 PolarHBondContact O-NZ 2.89Å; E277-K425 WeakPolarHBondContact OE1-CD 3.24Å; E277-K425 WeakPolarHBondContact OE1-CE 3.28Å; E277-K425 IonicContact OE1-NZ 2.73Å; E277-K425 PolarHBondContact OE1-NZ 3.06Å; E277-K425 IonicContact OE2-NZ 3.8Å; E277-K425 PolarHBondContact OE2-NZ 3.14Å; F281-K425 HydrophobicContact CE2-CD 4.15Å; F281-K425 HydrophobicContact CZ-CB 4.21Å; F281-K425 HydrophobicContact CZ-CD 4.01Å; F281-K425 HydrophobicContact CZ-CG 4.31Å; N421-K425 PolarHBondContact O-N 3.49Å; A422-K425 PolarHBondContact O-N 2.98Å; A423-K425 PolarHBondContact O-N 3.07Å; K425-G429 WeakPolarHBondContact O-CA 3.38Å; K425-G429 PolarHBondContact O-N 2.81Å
426F97.3Very high97Very high3 Ų343.7 Ų43.71%0.01323%0.228CC..Hα-helixtrans-61.9-48.4172.8171.2-91.7000112.7S268 F331 L350 V353 A422 A423 K424 M428 G429 K431S268-F426 VanDerWaalsContact OG-CA 3.31Å; S268-F426 WeakPolarHBondContact OG-CA 3.05Å; S268-F426 VanDerWaalsContact OG-CD2 3.28Å; S268-F426 WeakPolarHBondContact OG-CD2 3.35Å; F331-F426 HydrophobicContact CD1-CB 3.91Å; F331-F426 AromaticContact CD1-CD2 3.58Å; F331-F426 HydrophobicContact CD1-CD2 3.58Å; F331-F426 HydrophobicContact CD1-CE2 4.31Å; F331-F426 AromaticContact CD1-CG 3.86Å; F331-F426 HydrophobicContact CD1-CG 3.86Å; F331-F426 HydrophobicContact CE1-CB 4.2Å; F331-F426 HydrophobicContact CE1-CD2 4.09Å; F331-F426 HydrophobicContact CE1-CG 4.06Å; F331-F426 WeakPolarHBondContact O-CD2 3.45Å; F331-F426 WeakPolarHBondContact O-CE2 3.37Å; L350-F426 HydrophobicContact CD2-CE1 3.86Å; L350-F426 HydrophobicContact CD2-CZ 3.68Å; V353-F426 HydrophobicContact CB-CD1 4.13Å; V353-F426 HydrophobicContact CB-CE1 4.03Å; V353-F426 HydrophobicContact CG1-CD1 3.38Å; V353-F426 HydrophobicContact CG1-CE1 3.78Å; V353-F426 HydrophobicContact CG1-CG 4.18Å; V353-F426 HydrophobicContact CG2-CE1 4.24Å; A422-F426 PolarHBondContact O-N 2.92Å; A423-F426 WeakPolarHBondContact O-CB 3.31Å; A423-F426 PolarHBondContact O-N 3.12Å; K424-F426 VanDerWaalsContact C-N 3.28Å; K424-F426 PolarHBondContact O-N 3.31Å; F426-M428 PolarHBondContact O-N 3.12Å; F426-G429 PolarHBondContact O-N 2.71Å; F426-K431 WeakPolarHBondContact O-CE 3.35Å; F426-K431 PolarHBondContact O-NZ 3.31Å
427V96.4Very high96.9Very high52 Ų5240.5 Ų40.532%0.31521%0.212SC..Hα-helixtrans-62-43.3-178.1172.40000111.5K354 A357 A423 K424 K431K354-V427 HydrophobicContact CB-CG2 4.28Å; A357-V427 HydrophobicContact CB-CG2 3.99Å; A423-V427 WeakPolarHBondContact O-CG2 3.39Å; A423-V427 PolarHBondContact O-N 2.76Å; K424-V427 PolarHBondContact O-N 2.96Å; K424-V427 VanDerWaalsContact O-N 3.17Å; V427-K431 PolarHBondContact O-NZ 3.26Å
428M95.9Very high96.8Very high166 Ų16640 Ų4082%0.81821%0.206SC*.Hα-helixtrans-79.6-24.3179.3-64.7175.565.400113.4K424 F426K424-M428 WeakPolarHBondContact O-CB 3.36Å; K424-M428 WeakPolarHBondContact O-CG 3.47Å; K424-M428 PolarHBondContact O-N 2.76Å; F426-M428 PolarHBondContact O-N 3.12Å
429G95.6Very high96.7Very high24 Ų2437.6 Ų37.625%0.24719%0.193CC..SBendtrans-65.4147.1-176.600000112.5K425 F426 K431K425-G429 WeakPolarHBondContact O-CA 3.38Å; K425-G429 PolarHBondContact O-N 2.81Å; F426-G429 PolarHBondContact O-N 2.71Å; G429-K431 PolarHBondContact O-N 3.17Å; G429-K431 PolarHBondContact O-NZ 3.19Å
430K96.3Very high96.3Very high141 Ų14146.8 Ų46.861%0.61323%0.233SC*.PPolyproline II helixtrans-60128.9174.3-173.3172.4-179-173.50109.9Y248 R249Y248-K430 HydrophobicContact CE1-CB 4.24Å; Y248-K430 VanDerWaalsContact CE1-O 3.23Å; Y248-K430 WeakPolarHBondContact CE1-O 3.49Å; Y248-K430 PolarHBondContact OH-O 2.88Å; R249-K430 WeakPolarHBondContact O-CD 3.43Å; R249-K430 WeakPolarHBondContact O-CE 3.41Å; R249-K430 PolarHBondContact O-NZ 2.94Å
431K97.1Very high96.1Very high26 Ų2648.8 Ų48.811%0.11324%0.244CC..PPolyproline II helixtrans-81.7146.7-175.1-60.3-61.4-178.6-76.20111.8G250 G251 V266 V267 F426 V427 G429 V445G250-K431 WeakPolarHBondContact CA-O 3.48Å; G251-K431 PolarHBondContact N-O 3.05Å; V266-K431 HydrophobicContact CG1-CD 4.27Å; V267-K431 CarbonylContact O-C 3.58Å; V267-K431 WeakPolarHBondContact O-CA 3.44Å; F426-K431 WeakPolarHBondContact O-CE 3.35Å; F426-K431 PolarHBondContact O-NZ 3.31Å; V427-K431 PolarHBondContact O-NZ 3.26Å; G429-K431 PolarHBondContact O-N 3.17Å; G429-K431 PolarHBondContact O-NZ 3.19Å; K431-V445 HydrophobicContact CB-CG1 3.87Å
432T98.2Very high95.9Very high0 Ų045.2 Ų45.20%023%0.225CC..EExtended strand (participates in β ladder)trans-121.4136.6162.6-51.20000108.5L172 A175 A176 Y248 G250 G251 V266 V267L172-T432 HydrophobicContact CD1-CG2 4.01Å; A175-T432 HydrophobicContact CB-CG2 3.63Å; A176-T432 WeakPolarHBondContact CA-OG1 3.42Å; A176-T432 HydrophobicContact CB-CG2 3.93Å; Y248-T432 VanDerWaalsContact CZ-OG1 3.29Å; Y248-T432 PolarHBondContact OH-N 2.87Å; Y248-T432 PolarHBondContact OH-OG1 2.96Å; G250-T432 VanDerWaalsContact CA-OG1 3.25Å; G250-T432 WeakPolarHBondContact CA-OG1 3.48Å; G251-T432 CarbonylContact O-C 2.84Å; G251-T432 WeakPolarHBondContact O-CA 3.45Å; G251-T432 WeakPolarHBondContact O-CG2 3.48Å; V266-T432 WeakPolarHBondContact CA-O 3.29Å; V267-T432 PolarHBondContact N-O 3.07Å; V267-T432 PolarHBondContact O-N 2.81Å
433M97.9Very high95.8Very high0 Ų045.2 Ų45.20%023%0.225CC..EExtended strand (participates in β ladder)trans-129140174.6-175167170.700111.7G251 E252 V253 A265 V266 S435 T442 P443 V445 I448G251-M433 PolarHBondContact O-N 3.09Å; E252-M433 CarbonylContact C-O 3.48Å; E252-M433 VanDerWaalsContact CA-O 3.29Å; E252-M433 WeakPolarHBondContact CA-O 2.99Å; E252-M433 HydrophobicContact CG-CB 4.4Å; V253-M433 PolarHBondContact N-O 3.14Å; A265-M433 CarbonylContact O-C 3.6Å; A265-M433 WeakPolarHBondContact O-CA 3.3Å; V266-M433 HydrophobicContact CG2-CB 4.4Å; V266-M433 HydrophobicContact CG2-CG 3.94Å; V266-M433 HydrophobicContact CG2-SD 3.87Å; M433-S435 WeakPolarHBondContact CE-OG 3.16Å; M433-T442 HydrophobicContact CE-CG2 3.42Å; M433-T442 VanDerWaalsContact CE-CG2 3.42Å; M433-P443 WeakPolarHBondContact CE-O 3.42Å; M433-V445 HydrophobicContact CB-CG2 3.26Å; M433-V445 HydrophobicContact CG-CG2 4.33Å; M433-V445 HydrophobicContact SD-CG2 4.26Å; M433-I448 HydrophobicContact SD-CD1 3.78Å
434A97.8Very high95.7Very high0 Ų049.7 Ų49.70%024%0.244CC..EExtended strand (participates in β ladder)trans-129.3129.1166.500000108.9V168 A171 L172 V253 S264 A265V168-A434 HydrophobicContact CG1-CB 3.95Å; V168-A434 WeakPolarHBondContact CG1-O 3.42Å; V168-A434 WeakPolarHBondContact O-CB 3.21Å; A171-A434 HydrophobicContact CB-CB 4.28Å; L172-A434 HydrophobicContact CB-CB 3.81Å; L172-A434 HydrophobicContact CD1-CB 3.87Å; L172-A434 HydrophobicContact CG-CB 4.49Å; V253-A434 VanDerWaalsContact O-CA 3.29Å; V253-A434 WeakPolarHBondContact O-CA 3.27Å; S264-A434 CarbonylContact C-O 3.53Å; S264-A434 WeakPolarHBondContact CA-O 3.36Å; A265-A434 PolarHBondContact N-O 3.11Å; A265-A434 PolarHBondContact O-N 2.96Å
435S97.1Very high95.5Very high0 Ų046.4 Ų46.40%023%0.232CC..EExtended strand (participates in β ladder)trans-132.5141.1-179.9-64.50000111.7V253 L255 H263 S264 M433V253-S435 PolarHBondContact O-N 2.51Å; L255-S435 PolarHBondContact N-O 3.36Å; H263-S435 CarbonylContact O-C 3.59Å; H263-S435 WeakPolarHBondContact O-CA 3.39Å; S264-S435 WeakPolarHBondContact CB-OG 3.36Å; S264-S435 WeakPolarHBondContact OG-CB 3.46Å; S264-S435 PolarHBondContact OG-OG 3.29Å; M433-S435 WeakPolarHBondContact CE-OG 3.16Å
436S96.4Very high95.3Very high17 Ų1749.7 Ų49.712%0.11925%0.253CS..EExtended strand (participates in β ladder)trans-132.9138.8178.8-177.10000111.8L255 V262 H263L255-S436 VanDerWaalsContact O-CA 3.23Å; L255-S436 WeakPolarHBondContact O-CA 3.34Å; L255-S436 PolarHBondContact O-OG 3.21Å; V262-S436 CarbonylContact C-O 3.48Å; V262-S436 WeakPolarHBondContact CA-O 3.49Å; H263-S436 PolarHBondContact N-O 3.29Å; H263-S436 PolarHBondContact O-N 3.01Å
437G94.9Very high95Very high1 Ų155.1 Ų55.11%0.0128%0.279CS..EExtended strand (participates in β ladder)trans121.2-149.4-179.900000113.9L255 S257 L439L255-G437 PolarHBondContact O-N 3.27Å; L255-G437 VanDerWaalsContact O-N 3.09Å; S257-G437 PolarHBondContact N-O 3.21Å; S257-G437 CarbonylContact O-C 3.56Å; S257-G437 VanDerWaalsContact O-C 3.26Å; G437-L439 WeakPolarHBondContact O-CG 3.31Å; G437-L439 PolarHBondContact O-N 2.91Å
438N94.1Very high94.6Very high78 Ų7855.8 Ų55.842%0.41728%0.28SS..  trans-8494.7174.4-179.4-9.5000111.3V262 A339 K440V262-N438 WeakPolarHBondContact CG2-O 3.03Å; A339-N438 HydrophobicContact CB-CB 3.91Å; N438-K440 VanDerWaalsContact C-N 3.34Å; N438-K440 PolarHBondContact O-N 2.74Å
439L93.5Very high94.5Very high16 Ų1650.3 Ų50.38%0.08425%0.253CS..  trans-89.317.1-166.7-51.9-178000115.3R254 V262 G437 T441 T442R254-L439 HydrophobicContact CB-CD1 3.61Å; R254-L439 HydrophobicContact CG-CD1 4.14Å; R254-L439 PolarHBondContact NH2-O 3.32Å; V262-L439 HydrophobicContact CG1-CD2 3.85Å; V262-L439 HydrophobicContact CG2-CD2 4.48Å; G437-L439 WeakPolarHBondContact O-CG 3.31Å; G437-L439 PolarHBondContact O-N 2.91Å; L439-T441 PolarHBondContact O-N 2.87Å; L439-T442 PolarHBondContact O-N 3.38Å
440K90.1Very high94.4Very high193 Ų19351.7 Ų51.784%0.83925%0.253SS*.THydrogen-bonded Turntrans-57.7-34.1-171.9-176.2176.6178.8-178.70114.2N438N438-K440 VanDerWaalsContact C-N 3.34Å; N438-K440 PolarHBondContact O-N 2.74Å
441T91.8Very high94.3Very high59 Ų5946.7 Ų46.736%0.36223%0.233SC..THydrogen-bonded Turntrans-113.90.6-174.6510000112.1A339 G343 L439A339-T441 PolarHBondContact O-OG1 3.45Å; G343-T441 WeakPolarHBondContact CA-O 3.4Å; G343-T441 PolarHBondContact N-O 2.93Å; L439-T441 PolarHBondContact O-N 2.87Å
442T94.2Very high94.2Very high4 Ų447.9 Ų47.93%0.02524%0.24CC..PPolyproline II helixtrans-76.9125.1-179.9-56.40000108.1R254 M433 L439R254-T442 PolarHBondContact NH2-O 3.22Å; M433-T442 HydrophobicContact CE-CG2 3.42Å; M433-T442 VanDerWaalsContact CE-CG2 3.42Å; L439-T442 PolarHBondContact O-N 3.38Å
443P95.3Very high93.9Very high2 Ų250.9 Ų50.91%0.01326%0.255CS..PPolyproline II helixtrans-64.7160.9-177.227.1-35.9000111.2R254 V346 M433 E447 I448R254-P443 PolarHBondContact NH1-O 3.39Å; V346-P443 HydrophobicContact CB-CG 4.21Å; V346-P443 HydrophobicContact CG1-CG 3.96Å; M433-P443 WeakPolarHBondContact CE-O 3.42Å; P443-E447 WeakPolarHBondContact CA-OE2 3.39Å; P443-E447 HydrophobicContact CB-CB 4.28Å; P443-E447 WeakPolarHBondContact CB-OE2 3.41Å; P443-I448 HydrophobicContact CB-CG2 3.85Å; P443-I448 HydrophobicContact CG-CG2 3.84Å
444F95.3Very high93.6Very high93 Ų9354.3 Ų54.341%0.40827%0.272SS..PPolyproline II helixtrans-88.3163.4168.6-68.8-88.3000110.9E252 D446 E447E252-F444 WeakPolarHBondContact OE1-CD1 3.5Å; F444-D446 WeakPolarHBondContact CB-OD1 3.06Å; F444-D446 PolarHBondContact O-N 2.93Å; F444-E447 HydrophobicContact CB-CG 4.22Å; F444-E447 PolarHBondContact N-OE2 3.46Å; F444-E447 WeakPolarHBondContact O-CB 3.37Å; F444-E447 PolarHBondContact O-N 2.89Å; F444-E447 VanDerWaalsContact O-N 3.11Å
445V93.9Very high93.4Very high28 Ų2858.2 Ų58.217%0.1729%0.292CS..G310 helixtrans-62-29.9-178.1169.50000113.2E252 K431 M433 E447 I448E252-V445 HydrophobicContact CB-CB 4.43Å; E252-V445 HydrophobicContact CB-CG2 3.72Å; E252-V445 HydrophobicContact CG-CG2 3.82Å; E252-V445 PolarHBondContact OE2-N 3.29Å; E252-V445 VanDerWaalsContact OE2-N 3.12Å; K431-V445 HydrophobicContact CB-CG1 3.87Å; M433-V445 HydrophobicContact CB-CG2 3.26Å; M433-V445 HydrophobicContact CG-CG2 4.33Å; M433-V445 HydrophobicContact SD-CG2 4.26Å; V445-E447 VanDerWaalsContact C-N 3.3Å; V445-I448 WeakPolarHBondContact O-CG1 3.12Å
446D92.5Very high93.1Very high141 Ų14162.7 Ų62.775%0.75431%0.314SS*.G310 helixtrans-78.8-12.7178.260.5-40.9000113.6F444F444-D446 WeakPolarHBondContact CB-OD1 3.06Å; F444-D446 PolarHBondContact O-N 2.93Å
447E90.7Very high92.8Very high117 Ų11766.5 Ų66.555%0.54733%0.331SS..G310 helixtrans-91.9-5.1177.7-59.4176160.200113.4P443 F444 V445P443-E447 WeakPolarHBondContact CA-OE2 3.39Å; P443-E447 HydrophobicContact CB-CB 4.28Å; P443-E447 WeakPolarHBondContact CB-OE2 3.41Å; F444-E447 HydrophobicContact CB-CG 4.22Å; F444-E447 PolarHBondContact N-OE2 3.46Å; F444-E447 WeakPolarHBondContact O-CB 3.37Å; F444-E447 PolarHBondContact O-N 2.89Å; F444-E447 VanDerWaalsContact O-N 3.11Å; V445-E447 VanDerWaalsContact C-N 3.3Å
448I87.1Confident92.6Very high66 Ų6672.5 Ų72.534%0.33836%0.36SS..  trans-126.70-173.560.4175.4000112.4V266 R347 L350 M433 P443 V445V266-I448 HydrophobicContact CG1-CD1 3.88Å; V266-I448 HydrophobicContact CG2-CD1 3.93Å; R347-I448 HydrophobicContact CG-CG2 4.49Å; L350-I448 HydrophobicContact CD1-CB 3.68Å; L350-I448 HydrophobicContact CD1-CD1 3.93Å; L350-I448 HydrophobicContact CD1-CG1 4.25Å; L350-I448 HydrophobicContact CD1-CG2 4.09Å; M433-I448 HydrophobicContact SD-CD1 3.78Å; P443-I448 HydrophobicContact CB-CG2 3.85Å; P443-I448 HydrophobicContact CG-CG2 3.84Å; V445-I448 WeakPolarHBondContact O-CG1 3.12Å

Retrieved 448 of 448 residues in 97.3 ms (Link to these results)

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