G4VM57_SCHMA Loading...

Putative syntenin

AlphaFold DB , UniProt , Accession G4VM57, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 297 aa.

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(Predicted Aligned Error values between residue pairs)
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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
1M43.9Very low66.4Low240 Ų24094.9 Ų94.9100%1.18249%0.487SS*.  0147.50-64179.8-177.900107.9
2S47.1Very low67.4Low77 Ų7793.7 Ų93.754%0.53849%0.487SS..  trans-57142.9161.326.20000109.2Y4S2-Y4 PolarHBondContact O-N 2.65Å
3L56Low67.8Low148 Ų14894.1 Ų94.178%0.77549%0.485SS*.SBendtrans-75.9-6.4179.5-137.189.9000113.2
4Y52.8Low68.6Low77 Ų7792.7 Ų92.730%0.30248%0.483SS..SBendtrans-140139.3-175.7-59.5-68.9000109.9S2 K108 P109S2-Y4 PolarHBondContact O-N 2.65Å; Y4-K108 HydrophobicContact CE1-CB 3.7Å; Y4-K108 HydrophobicContact CE1-CD 4.02Å; Y4-K108 HydrophobicContact CE1-CG 4.16Å; Y4-K108 WeakPolarHBondContact OH-CD 3.41Å; Y4-K108 VanDerWaalsContact OH-CG 3.24Å; Y4-K108 WeakPolarHBondContact OH-CG 3.39Å; Y4-P109 HydrophobicContact CD2-CG 4.14Å; Y4-P109 HydrophobicContact CE2-CG 4.23Å
5P65.2Low69.1Low56 Ų5692.5 Ų92.536%0.36448%0.482SS..  trans-69.1139.1176.428.6-33.9000111.3E9P5-E9 VanDerWaalsContact CA-OE2 3.27Å; P5-E9 WeakPolarHBondContact CA-OE2 3.27Å; P5-E9 HydrophobicContact CB-CB 3.75Å
6S77.4Confident69.6Low40 Ų4092.4 Ų92.428%0.2848%0.481SS..  trans-64.4169.1160.793.80000111E8 E9 L10S6-E8 PolarHBondContact O-N 2.9Å; S6-E8 WeakPolarHBondContact OG-CB 3.35Å; S6-E8 PolarHBondContact OG-N 3.21Å; S6-E8 PolarHBondContact OG-OE2 2.97Å; S6-E9 PolarHBondContact N-OE2 3.45Å; S6-E9 PolarHBondContact O-N 2.9Å; S6-E9 PolarHBondContact OG-N 2.86Å; S6-E9 VanDerWaalsContact OG-N 3.07Å; S6-L10 PolarHBondContact O-N 2.84Å
7L74.1Confident70.1Confident46 Ų4691.6 Ų91.624%0.24148%0.478CS..Hα-helixtrans-59.5-32.6172-179.264000111.7K11 V188L7-K11 WeakPolarHBondContact O-CG 3.32Å; L7-K11 PolarHBondContact O-N 2.69Å; L7-V188 HydrophobicContact CD1-CG1 3.69Å
8E78Confident70.3Confident149 Ų14990.7 Ų90.770%0.69648%0.481SS*.Hα-helixtrans-73.4-43.3176.6-59.6141.8164.800110.3S6 L10 K11 V12S6-E8 PolarHBondContact O-N 2.9Å; S6-E8 WeakPolarHBondContact OG-CB 3.35Å; S6-E8 PolarHBondContact OG-N 3.21Å; S6-E8 PolarHBondContact OG-OE2 2.97Å; E8-L10 VanDerWaalsContact C-N 3.34Å; E8-L10 PolarHBondContact O-N 2.82Å; E8-K11 PolarHBondContact O-N 2.88Å; E8-K11 VanDerWaalsContact O-N 3.15Å; E8-V12 WeakPolarHBondContact O-CG2 3.32Å; E8-V12 PolarHBondContact O-N 3.48Å
9E76.9Confident70.2Confident90 Ų9092.7 Ų92.742%0.42149%0.487SS..Hα-helixtrans-63.2-37.8177.2-67.2174140.900111.7P5 S6 K11 V12 Q13P5-E9 VanDerWaalsContact CA-OE2 3.27Å; P5-E9 WeakPolarHBondContact CA-OE2 3.27Å; P5-E9 HydrophobicContact CB-CB 3.75Å; S6-E9 PolarHBondContact N-OE2 3.45Å; S6-E9 PolarHBondContact O-N 2.9Å; S6-E9 PolarHBondContact OG-N 2.86Å; S6-E9 VanDerWaalsContact OG-N 3.07Å; E9-K11 PolarHBondContact O-N 3.2Å; E9-V12 PolarHBondContact O-N 3.03Å; E9-Q13 WeakPolarHBondContact O-CB 3.46Å; E9-Q13 PolarHBondContact O-N 2.88Å
10L77.6Confident69.9Low37 Ų3792.5 Ų92.519%0.19449%0.493CS..Hα-helixtrans-63.6-39.5173.4-169.673.2000112.1S6 E8 T14 V111 V188S6-L10 PolarHBondContact O-N 2.84Å; E8-L10 VanDerWaalsContact C-N 3.34Å; E8-L10 PolarHBondContact O-N 2.82Å; L10-T14 PolarHBondContact O-N 3.22Å; L10-T14 VanDerWaalsContact O-N 3.08Å; L10-T14 PolarHBondContact O-OG1 3.1Å; L10-V111 HydrophobicContact CD2-CG1 4.21Å; L10-V188 HydrophobicContact CD2-CG1 4.21Å
11K80.8Confident69.3Low84 Ų8494.6 Ų94.637%0.36551%0.505SS..Hα-helixtrans-69.9-41175.4-72.5-179.4-177.9-171.40111.8L7 E8 E9 T14 I15 E159L7-K11 WeakPolarHBondContact O-CG 3.32Å; L7-K11 PolarHBondContact O-N 2.69Å; E8-K11 PolarHBondContact O-N 2.88Å; E8-K11 VanDerWaalsContact O-N 3.15Å; E9-K11 PolarHBondContact O-N 3.2Å; K11-T14 PolarHBondContact O-N 2.87Å; K11-I15 WeakPolarHBondContact O-CD1 3.24Å; K11-I15 VanDerWaalsContact O-CG1 3.26Å; K11-I15 WeakPolarHBondContact O-CG1 2.99Å; K11-I15 PolarHBondContact O-N 3.45Å; K11-E159 WeakPolarHBondContact CE-OE1 3.34Å; K11-E159 WeakPolarHBondContact CE-OE2 3.49Å; K11-E159 IonicContact NZ-OE1 3.21Å; K11-E159 PolarHBondContact NZ-OE1 3.23Å; K11-E159 IonicContact NZ-OE2 3.64Å; K11-E159 PolarHBondContact NZ-OE2 2.87Å
12V78.3Confident69.4Low80 Ų8092.8 Ų92.849%0.48549%0.485SS..Hα-helixtrans-61-44.5174.3169.30000110.9E8 E9 T14 I15 L16E8-V12 WeakPolarHBondContact O-CG2 3.32Å; E8-V12 PolarHBondContact O-N 3.48Å; E9-V12 PolarHBondContact O-N 3.03Å; V12-T14 PolarHBondContact O-N 3.35Å; V12-I15 PolarHBondContact O-N 2.99Å; V12-L16 HydrophobicContact CG1-CD1 3.88Å; V12-L16 HydrophobicContact CG1-CG 4.33Å; V12-L16 WeakPolarHBondContact O-CG 3.46Å; V12-L16 PolarHBondContact O-N 3.49Å
13Q73.6Confident69Low99 Ų9994.4 Ų94.446%0.46349%0.493SS..Hα-helixtrans-59.7-47.2175.6-170.961.248.900111.3E9 I15 L16 D17E9-Q13 WeakPolarHBondContact O-CB 3.46Å; E9-Q13 PolarHBondContact O-N 2.88Å; Q13-I15 VanDerWaalsContact C-N 3.27Å; Q13-I15 PolarHBondContact O-N 3.36Å; Q13-L16 PolarHBondContact O-N 3.11Å; Q13-L16 VanDerWaalsContact O-N 3.14Å; Q13-D17 PolarHBondContact NE2-OD1 3.41Å; Q13-D17 PolarHBondContact NE2-OD2 2.77Å; Q13-D17 WeakPolarHBondContact O-CB 3.41Å; Q13-D17 PolarHBondContact O-N 3.01Å
14T78.7Confident68Low75 Ų7593 Ų9346%0.4649%0.491SS..Hα-helixtrans-57.6-39.6175.8-52.30000112L10 K11 V12 S18L10-T14 PolarHBondContact O-N 3.22Å; L10-T14 VanDerWaalsContact O-N 3.08Å; L10-T14 PolarHBondContact O-OG1 3.1Å; K11-T14 PolarHBondContact O-N 2.87Å; V12-T14 PolarHBondContact O-N 3.35Å; T14-S18 WeakPolarHBondContact O-CB 3.34Å; T14-S18 PolarHBondContact O-N 3.33Å; T14-S18 VanDerWaalsContact O-N 3.12Å; T14-S18 PolarHBondContact O-OG 3.45Å
15I76.5Confident67Low90 Ų9095.1 Ų95.146%0.46251%0.512SS..Hα-helixtrans-67.9-45.5176.4-68.4162.9000110.9K11 V12 Q13 S18 Q19K11-I15 WeakPolarHBondContact O-CD1 3.24Å; K11-I15 VanDerWaalsContact O-CG1 3.26Å; K11-I15 WeakPolarHBondContact O-CG1 2.99Å; K11-I15 PolarHBondContact O-N 3.45Å; V12-I15 PolarHBondContact O-N 2.99Å; Q13-I15 VanDerWaalsContact C-N 3.27Å; Q13-I15 PolarHBondContact O-N 3.36Å; I15-S18 PolarHBondContact O-N 2.82Å; I15-S18 PolarHBondContact O-OG 2.85Å; I15-Q19 WeakPolarHBondContact O-CG 3.19Å; I15-Q19 PolarHBondContact O-N 3.07Å; I15-Q19 VanDerWaalsContact O-N 3.07Å
16L77.3Confident65.7Low91 Ų91100 Ų10048%0.47653%0.532SS..Hα-helixtrans-61.1-45.3178-71.4168.6000111.7V12 Q13 S18 Q19 S20V12-L16 HydrophobicContact CG1-CD1 3.88Å; V12-L16 HydrophobicContact CG1-CG 4.33Å; V12-L16 WeakPolarHBondContact O-CG 3.46Å; V12-L16 PolarHBondContact O-N 3.49Å; Q13-L16 PolarHBondContact O-N 3.11Å; Q13-L16 VanDerWaalsContact O-N 3.14Å; L16-S18 VanDerWaalsContact C-N 3.27Å; L16-S18 PolarHBondContact O-N 2.88Å; L16-Q19 PolarHBondContact O-N 3.18Å; L16-Q19 VanDerWaalsContact O-N 3.07Å; L16-S20 PolarHBondContact O-N 3.06Å; L16-S20 PolarHBondContact O-OG 3.31Å
17D77.3Confident63.5Low78 Ų78107.3 Ų107.342%0.41756%0.562SS.*Hα-helixtrans-65.1-30.5178.3-63.1-23.3000112.2Q13 S20Q13-D17 PolarHBondContact NE2-OD1 3.41Å; Q13-D17 PolarHBondContact NE2-OD2 2.77Å; Q13-D17 WeakPolarHBondContact O-CB 3.41Å; Q13-D17 PolarHBondContact O-N 3.01Å; D17-S20 PolarHBondContact O-OG 2.86Å
18S73.6Confident61.7Low76 Ų76110.6 Ų110.653%0.53159%0.589SS.*Hα-helixtrans-76.7-23.817374.30000113.9T14 I15 L16T14-S18 WeakPolarHBondContact O-CB 3.34Å; T14-S18 PolarHBondContact O-N 3.33Å; T14-S18 VanDerWaalsContact O-N 3.12Å; T14-S18 PolarHBondContact O-OG 3.45Å; I15-S18 PolarHBondContact O-N 2.82Å; I15-S18 PolarHBondContact O-OG 2.85Å; L16-S18 VanDerWaalsContact C-N 3.27Å; L16-S18 PolarHBondContact O-N 2.88Å
19Q69.3Low59.4Low129 Ų129110.9 Ų110.960%0.60360%0.595SS**Hα-helixtrans-85.3-34176.4-71.8-175.628.200112.8I15 L16 R22I15-Q19 WeakPolarHBondContact O-CG 3.19Å; I15-Q19 PolarHBondContact O-N 3.07Å; I15-Q19 VanDerWaalsContact O-N 3.07Å; L16-Q19 PolarHBondContact O-N 3.18Å; L16-Q19 VanDerWaalsContact O-N 3.07Å; Q19-R22 PolarHBondContact O-N 2.63Å
20S62.8Low57.3Low87 Ų87112.3 Ų112.361%0.60861%0.613SS**Hα-helixtrans-69.6-30.8177.360.40000113L16 D17 R22L16-S20 PolarHBondContact O-N 3.06Å; L16-S20 PolarHBondContact O-OG 3.31Å; D17-S20 PolarHBondContact O-OG 2.86Å; S20-R22 VanDerWaalsContact C-N 3.29Å; S20-R22 PolarHBondContact O-N 2.77Å
21N58.5Low55.2Low137 Ų137119.9 Ų119.973%0.73365%0.648SS**THydrogen-bonded Turntrans-84.212.6175.8-85.1-35000114.8P23N21-P23 WeakPolarHBondContact O-CD 3.27Å
22R45Very low53Low203 Ų203119.4 Ų119.477%0.76667%0.667SS**SBendtrans-72.3121.8169.3-112.3-178.3173.4-174-2.2109.3Q19 S20 T24Q19-R22 PolarHBondContact O-N 2.63Å; S20-R22 VanDerWaalsContact C-N 3.29Å; S20-R22 PolarHBondContact O-N 2.77Å; R22-T24 PolarHBondContact O-N 2.92Å; R22-T24 VanDerWaalsContact O-N 3.17Å
23P39.9Very low50.9Low110 Ų110122.1 Ų122.171%0.71469%0.686SS**  trans-63.8121.917526.2-32.9000109.2N21 T25N21-P23 WeakPolarHBondContact O-CD 3.27Å; P23-T25 VanDerWaalsContact C-N 3.33Å; P23-T25 PolarHBondContact O-N 2.89Å
24T34Very low49Very low118 Ų118125.2 Ų125.272%0.72471%0.705SS**  trans-66.191.3176.6-46.20000109.4R22 M26R22-T24 PolarHBondContact O-N 2.92Å; R22-T24 VanDerWaalsContact O-N 3.17Å; T24-M26 VanDerWaalsContact C-N 3.28Å; T24-M26 HydrophobicContact CG2-CE 4Å; T24-M26 PolarHBondContact O-N 3.05Å
25T32.3Very low47Very low123 Ų123126.6 Ų126.676%0.75572%0.715SS**  trans-68.490.1172.7-45.50000108.6P23 Q27P23-T25 VanDerWaalsContact C-N 3.33Å; P23-T25 PolarHBondContact O-N 2.89Å; T25-Q27 PolarHBondContact O-N 2.86Å
26M36.8Very low45.1Very low157 Ų157131 Ų13177%0.77373%0.734SS**  trans-55.7109.1171-79.7-84.4101.300108.9T24 S28T24-M26 VanDerWaalsContact C-N 3.28Å; T24-M26 HydrophobicContact CG2-CE 4Å; T24-M26 PolarHBondContact O-N 3.05Å; M26-S28 PolarHBondContact O-N 3.19Å
27Q31.8Very low42.9Very low195 Ų195133.8 Ų133.891%0.91175%0.746SS**  trans-67.7111.1170.2-72.4176.8-29.100108.6T25T25-Q27 PolarHBondContact O-N 2.86Å
28S36.2Very low40.7Very low115 Ų115136.3 Ų136.380%0.80476%0.759SS**  trans-123.1126.8158.8-166.90000108.6M26M26-S28 PolarHBondContact O-N 3.19Å
29N30.7Very low38.7Very low155 Ų155137.1 Ų137.183%0.82977%0.765SS**  trans-59.9141176-81.4-27.4000111
30C33.3Very low36.9Very low119 Ų119136.6 Ų136.680%0.80477%0.771SS**  -179.4103.5121-960000112.8
31Q33.5Very low35.4Very low197 Ų197139.6 Ų139.692%0.92178%0.78SS**  trans27.6123.1138.4-61.3172.2-17.300120.8
32G33.7Very low34.2Very low74 Ų74141.6 Ų141.676%0.76379%0.787SS**  trans157.7136156.200000113.9
33P34.8Very low33.4Very low136 Ų136135.2 Ų135.288%0.88378%0.784SS**  trans-107.7163.7-158.819.31.1000118.4
34L32.9Very low33.3Very low164 Ų164137.9 Ų137.986%0.85979%0.792SS**  trans-59.3-173.6174.6-64158.5000115.4
35P37.8Very low33.1Very low104 Ų104142.4 Ų142.468%0.67580%0.796SS**  -138.9174.8-56.140.8-25.4000113.2
36Q35Very low33.3Very low183 Ų183144.3 Ų144.386%0.85580%0.801SS**  trans166165.9151.6-96.31662900109.5
37M32.4Very low33.1Very low150 Ų150144.8 Ų144.874%0.73980%0.802SS**  cis-169.6153.1-41.5-170.3-173-90.100107.4
38N31.4Very low33.5Very low130 Ų130143.5 Ų143.570%0.69580%0.801SS**  trans67.1100.8157.7-76.1-4000122.7
39S31Very low33.6Very low94 Ų94144.7 Ų144.766%0.65780%0.799SS**  77.7154.8105.777.30000124.3
40T30.6Very low34.1Very low118 Ų118145.4 Ų145.472%0.72480%0.802SS**  trans87.1108.1150.139.40000122.3
41L31Very low34.2Very low150 Ų150147.6 Ų147.679%0.78581%0.805SS**  90143.5129.2-106.479.9000122.4
42M33.7Very low34.7Very low179 Ų179142.7 Ų142.788%0.88279%0.793SS**  trans70.3128.8163.7-51.1-103.5-83.200115.1
43G29.5Very low34.7Very low69 Ų69144.8 Ų144.871%0.71180%0.796SS**  cis124.8112.90.800000111.3
44N36.3Very low35Very low166 Ų166145.9 Ų145.989%0.88878%0.783SS**  trans-163.4160.2149.2-119.9-20.7000114.4
45R30.7Very low35.7Very low212 Ų212142.6 Ų142.680%0.877%0.767SS**  trans-71.9158.9-175.8-59.7164171.3167.3-6112.5
46N37Very low35.9Very low163 Ų163143.9 Ų143.987%0.87278%0.778SS**  -158.1148.7105.9-91.8-11.5000111.2
47E32.2Very low36.4Very low168 Ų168140.7 Ų140.779%0.78578%0.775SS**  trans-87.6151.6-179.6-59.6166.2127.900109.5
48D40.2Very low36.9Very low167 Ų167136.3 Ų136.389%0.89377%0.768SS**  trans-155.6139.4139.7-110.7-34000111.7
49N38.8Very low37.5Very low141 Ų141132 Ų13275%0.75475%0.754SS**  trans-90.8143-169.2-66.8-80.3000111.6
50N39.7Very low38Very low169 Ų169132.1 Ų132.190%0.90476%0.755SS**  trans-155134.3135.1-114.5-40.7000113.4
51L36.6Very low38.1Very low166 Ų166131.9 Ų131.987%0.86975%0.753SS**  trans-108.6113.6-168.6-179.670.8000109.8
52S43.1Very low38.4Very low94 Ų94131 Ų13166%0.65775%0.754SS**  trans-104107175.5-57.60000110.4
53S35Very low38.6Very low117 Ų117132.9 Ų132.982%0.81875%0.753SS**PPolyproline II helixtrans-89.3136173.465.30000111.2
54Y40Very low38.8Very low160 Ų160132.9 Ų132.963%0.62775%0.753SS**PPolyproline II helixtrans-103.4141.8176.6-66.4-90.6000110.3
55N48.5Very low38.9Very low95 Ų95131.2 Ų131.251%0.50876%0.755SS.*PPolyproline II helixtrans-78.3166.7166.264.735.8000110.8C57 G58N55-C57 PolarHBondContact O-N 3.27Å; N55-C57 PolarHBondContact OD1-N 3.4Å; N55-G58 PolarHBondContact O-N 2.97Å; N55-G58 VanDerWaalsContact O-N 3.15Å; N55-G58 PolarHBondContact OD1-N 3.14Å
56S42.5Very low39Very low131 Ų131127.5 Ų127.592%0.91676%0.755SS**THydrogen-bonded Turntrans-65.46.2-177.247.40000115.6
57C45Very low39.1Very low116 Ų116127 Ų12778%0.78476%0.758SS**THydrogen-bonded Turntrans-118.74177.5-620000113.8N55 G59N55-C57 PolarHBondContact O-N 3.27Å; N55-C57 PolarHBondContact OD1-N 3.4Å; C57-G59 VanDerWaalsContact C-N 3.3Å; C57-G59 PolarHBondContact O-N 3.15Å
58G42.2Very low39.3Very low57 Ų57124.5 Ų124.559%0.58876%0.759SS**  trans68.318.6168.300000116.2N55N55-G58 PolarHBondContact O-N 2.97Å; N55-G58 VanDerWaalsContact O-N 3.15Å; N55-G58 PolarHBondContact OD1-N 3.14Å
59G44.4Very low39.1Very low40 Ų40119.9 Ų119.941%0.41275%0.751SS.*  trans-90.8124.8176.500000112.3C57C57-G59 VanDerWaalsContact C-N 3.3Å; C57-G59 PolarHBondContact O-N 3.15Å
60S40.4Very low39.1Very low97 Ų97121.2 Ų121.268%0.67876%0.756SS**  trans-80.1142.2167.2-172.30000110.8
61V33.8Very low38.8Very low113 Ų113122.1 Ų122.169%0.68575%0.752SS**  trans-128.2116.6-179.3-179.40000109.1Y63V61-Y63 HydrophobicContact CG1-CE2 4.36Å
62T37.6Very low38.9Very low130 Ų130119.1 Ų119.180%0.79875%0.746SS**  trans-141.9130.2171.3-47.40000110.7
63Y37.8Very low38.5Very low219 Ų219122.9 Ų122.986%0.85975%0.753SS**  trans-81.3145.6178.4-77.7-104.7000111.4V61V61-Y63 HydrophobicContact CG1-CE2 4.36Å
64G33.1Very low38.7Very low70 Ų70122.3 Ų122.372%0.72276%0.755SS**  trans-97.3178.6-179.800000114.9
65S38.6Very low38.4Very low131 Ų131118.1 Ų118.192%0.91676%0.761SS**  trans-158.7152.8163.4-81.70000111.8
66T33.7Very low37.9Very low133 Ų133123.2 Ų123.282%0.81678%0.784SS**  trans-124.6151.1-164.651.10000112.9
67V38.4Very low37.2Very low152 Ų152126.1 Ų126.192%0.92178%0.783SS**  trans-146.3153.8154.2-173.20000110.7
68S35.2Very low36.7Very low116 Ų116126.9 Ų126.981%0.81179%0.788SS**  trans-131.9171.5-160.7-44.50000114.9
69G37.3Very low36.1Very low70 Ų70127.4 Ų127.472%0.72279%0.794SS**  trans125.4154156.200000116.3
70I37.8Very low35.7Very low169 Ų169133.6 Ų133.687%0.86782%0.815SS**  cis-151.3159.11.2-60.1-173.7000110.4
71F34Very low35.5Very low188 Ų188136.3 Ų136.383%0.82582%0.822SS**  trans-71.5164.9178.7-83.8-116.3000115.4
72S38.9Very low35.4Very low104 Ų104136.8 Ų136.873%0.72783%0.831SS**  169173.480.6-79.90000111.3
73Q34.9Very low35.4Very low173 Ų173138.8 Ų138.881%0.80883%0.833SS**  cis-177.3163.3-31.7-171169.79.600109.9
74A39.5Very low35.5Very low105 Ų105134.3 Ų134.387%0.86883%0.834SS**  trans74.8149.2171.100000118.7
75G32.5Very low35.7Very low72 Ų72137.6 Ų137.674%0.74283%0.833SS**  cis171.3169.6-7.800000114.4
76M37.4Very low36.2Very low201 Ų201135.1 Ų135.199%0.9982%0.821SS**  trans85.8145.7169.2-72.3-176.3163.800121.8
77E29.8Very low36.5Very low192 Ų192134.8 Ų134.890%0.89782%0.821SS**  trans-99.1158.7-168.4-57.3159.39700113
78C33.4Very low36.7Very low133 Ų133136.2 Ų136.290%0.89982%0.815SS**  173.9147.4108-160.30000110
79G30.5Very low37.4Very low68 Ų68134.4 Ų134.470%0.70180%0.802SS**  trans-108.6145-173.100000114.5
80I35.5Very low37.9Very low170 Ų170137.6 Ų137.687%0.87281%0.811SS**  trans-145.5140.3162-37.9174.6000109.1S82I80-S82 PolarHBondContact O-N 3.1Å
81N35.8Very low38.8Very low153 Ų153133.7 Ų133.782%0.81880%0.798SS**  trans-62.8129.6172.2-60-42.9000111.3
82S31.6Very low39.6Very low124 Ų124129.2 Ų129.287%0.86781%0.805SS**  trans-176.8158.7141.2-88.80000113.5I80I80-S82 PolarHBondContact O-N 3.1Å
83M37.5Very low40.1Very low171 Ų171128.1 Ų128.184%0.84280%0.802SS**  trans-36.7141.4-174.7-58.2-166.8-73.800116.9I85M83-I85 PolarHBondContact O-N 2.82Å
84S39.7Very low40.7Very low125 Ų125127.7 Ų127.787%0.87481%0.805SS**  trans-65.295170.853.60000111.6
85I37.8Very low40.8Very low139 Ų139128.5 Ų128.571%0.71380%0.802SS**PPolyproline II helixtrans-74.8121.1168.5-61.1171.1000107.8M83 F88M83-I85 PolarHBondContact O-N 2.82Å; I85-F88 HydrophobicContact CG2-CE1 4.12Å
86A49.8Very low41.6Very low80 Ų80132 Ų13266%0.66180%0.803SS**PPolyproline II helixtrans-68.1131.7172.200000109.8F88A86-F88 PolarHBondContact O-N 3.3Å
87P39.8Very low41.9Very low126 Ų126128.1 Ų128.182%0.81879%0.793SS**PPolyproline II helixtrans-70.5116.6179.428.1-33.2000110.3
88F41.8Very low43Very low182 Ų182126.6 Ų126.680%0.79879%0.79SS**PPolyproline II helixtrans-78.9122172.931.3-92.7000110I85 A86I85-F88 HydrophobicContact CG2-CE1 4.12Å; A86-F88 PolarHBondContact O-N 3.3Å
89S49.6Very low43.6Very low77 Ų77125 Ų12554%0.53878%0.778SS.*PPolyproline II helixtrans-85.6150.8166.656.70000110.2S91S89-S91 PolarHBondContact O-N 2.93Å
90P48.2Very low44.5Very low138 Ų138125.5 Ų125.590%0.89678%0.776SS**SBendtrans-7734.6-176.133.1-37.5000113.5
91S56.2Low45Very low87 Ų87122 Ų12261%0.60876%0.764SS**SBendtrans-148.2116.2174.1-67.50000106.6S89 A93S89-S91 PolarHBondContact O-N 2.93Å; S91-A93 PolarHBondContact O-N 3.36Å
92G50.9Low45.4Very low93 Ų93122.4 Ų122.496%0.95976%0.759SS**  trans-69.336.3-162.600000117.3
93A50.1Low46.2Very low81 Ų81120.8 Ų120.867%0.66974%0.741SS**  trans-80.3123.7168.800000109.6S91 C95S91-A93 PolarHBondContact O-N 3.36Å; A93-C95 PolarHBondContact O-N 3.43Å; A93-C95 VanDerWaalsContact O-N 3.09Å
94L47.1Very low46.9Very low165 Ų165115.3 Ų115.386%0.86472%0.718SS**  trans-62.8111.5169.3-67.7170000108.7L96L94-L96 PolarHBondContact O-N 3.15Å
95C42.1Very low47.9Very low121 Ų121110.6 Ų110.682%0.81868%0.683SS**  trans-68.198169-170.20000108A93A93-C95 PolarHBondContact O-N 3.43Å; A93-C95 VanDerWaalsContact O-N 3.09Å
96L48.8Very low49.2Very low147 Ų147107.5 Ų107.577%0.7767%0.668SS**PPolyproline II helixtrans-60.1133.3169.3-70171.7000107.9L94 L98L94-L96 PolarHBondContact O-N 3.15Å; L96-L98 PolarHBondContact O-N 2.97Å
97P44.1Very low49.7Very low118 Ų118105.5 Ų105.577%0.76665%0.646SS**PPolyproline II helixtrans-59128.1175.525.5-33000108.4
98L51.7Low50.8Low160 Ų160103.3 Ų103.384%0.83862%0.623SS**PPolyproline II helixtrans-49.3135.2170-79.4151.7000108.3L96 A100L96-L98 PolarHBondContact O-N 2.97Å; L98-A100 PolarHBondContact O-N 3.15Å; L98-A100 VanDerWaalsContact O-N 3.16Å
99P46.1Very low51.9Low101 Ų10198.8 Ų98.866%0.65661%0.612SS**PPolyproline II helixtrans-55.8128.417424.6-32.4000107.7
100A50.8Low53.3Low78 Ų7895.6 Ų95.665%0.64559%0.591SS**PPolyproline II helixtrans-52.2149.3173.600000109.3L98 F102L98-A100 PolarHBondContact O-N 3.15Å; L98-A100 VanDerWaalsContact O-N 3.16Å; A100-F102 PolarHBondContact O-N 3.46Å
101P46.3Very low55.3Low97 Ų9789.7 Ų89.763%0.6355%0.553SS**PPolyproline II helixtrans-46.5129.9177.2-2633.9000109.4D103P101-D103 PolarHBondContact O-N 2.84Å
102F44.1Very low57Low161 Ų16189 Ų8971%0.70654%0.537SS*.  trans-58.3109.9-173.9-67.9-79.2000109A100 C104A100-F102 PolarHBondContact O-N 3.46Å; F102-C104 VanDerWaalsContact C-N 3.33Å; F102-C104 PolarHBondContact O-N 2.95Å
103D47Very low59Low90 Ų9088 Ų8848%0.48151%0.509SS..  trans-57.196.1177.6-97.7-7.8000109.3P101 I105 D106 K265P101-D103 PolarHBondContact O-N 2.84Å; D103-I105 PolarHBondContact O-N 3.03Å; D103-D106 PolarHBondContact O-N 2.99Å; D103-K265 VanDerWaalsContact CG-NZ 3.33Å; D103-K265 IonicContact OD2-NZ 3.47Å; D103-K265 PolarHBondContact OD2-NZ 3.08Å
104C53.7Low61.1Low56 Ų5684.6 Ų84.638%0.37848%0.48SS..THydrogen-bonded Turntrans-66.5-5.7-174.853.20000113.5F102 P295 F296F102-C104 VanDerWaalsContact C-N 3.33Å; F102-C104 PolarHBondContact O-N 2.95Å; C104-P295 HydrophobicContact CB-CB 4.26Å; C104-P295 VanDerWaalsContact SG-CB 3.59Å; C104-P295 VanDerWaalsContact SG-CG 3.54Å; C104-F296 PolarHBondContact SG-O 3.18Å
105I60.7Low63.3Low26 Ų2680.3 Ų80.313%0.13346%0.461CS..THydrogen-bonded Turntrans-79.3-27.5174-54.3168.9000111.2D103 I107 V197 K265 P295D103-I105 PolarHBondContact O-N 3.03Å; I105-I107 PolarHBondContact O-N 3.11Å; I105-V197 HydrophobicContact CG2-CG1 4.4Å; I105-K265 HydrophobicContact CB-CD 3.94Å; I105-K265 HydrophobicContact CD1-CD 4.19Å; I105-K265 HydrophobicContact CG2-CB 3.92Å; I105-K265 HydrophobicContact CG2-CD 3.64Å; I105-K265 HydrophobicContact CG2-CG 4.42Å; I105-P295 HydrophobicContact CG1-CG 4.39Å
106D64.5Low65.9Low73 Ų7374.9 Ų74.939%0.3942%0.423SS..SBendtrans-69.1114.9-175-73.2-1.7000111.3D103 K108 K265D103-D106 PolarHBondContact O-N 2.99Å; D106-K108 PolarHBondContact O-N 3.39Å; D106-K265 IonicContact OD1-NZ 3.91Å; D106-K265 PolarHBondContact OD1-NZ 2.8Å
107I60.8Low68Low39 Ų3970.6 Ų70.620%0.241%0.405CS..  trans-72.198.7177.6-63.4177000109.3I105 R192 E195 V197 T267I105-I107 PolarHBondContact O-N 3.11Å; I107-R192 HydrophobicContact CD1-CB 3.98Å; I107-R192 HydrophobicContact CG1-CB 4.42Å; I107-R192 VanDerWaalsContact CG1-CZ 3.49Å; I107-R192 HydrophobicContact CG2-CB 4.02Å; I107-E195 HydrophobicContact CD1-CB 3.52Å; I107-V197 HydrophobicContact CB-CG2 4.05Å; I107-V197 HydrophobicContact CD1-CG2 3.66Å; I107-V197 HydrophobicContact CG1-CG2 3.55Å; I107-T267 HydrophobicContact CD1-CG2 3.63Å
108K63.2Low70.5Confident80 Ų8066.6 Ų66.635%0.34838%0.376SS..  trans-90.4134.5170.3-65.3173.9179.9171.90107.4Y4 D106 G110Y4-K108 HydrophobicContact CE1-CB 3.7Å; Y4-K108 HydrophobicContact CE1-CD 4.02Å; Y4-K108 HydrophobicContact CE1-CG 4.16Å; Y4-K108 WeakPolarHBondContact OH-CD 3.41Å; Y4-K108 VanDerWaalsContact OH-CG 3.24Å; Y4-K108 WeakPolarHBondContact OH-CG 3.39Å; D106-K108 PolarHBondContact O-N 3.39Å; K108-G110 PolarHBondContact O-N 3.41Å
109P64.8Low72.5Confident86 Ų8661.4 Ų61.456%0.55835%0.349SS*.  trans-74.834.4-178.933.3-37.8000112.8Y4Y4-P109 HydrophobicContact CD2-CG 4.14Å; Y4-P109 HydrophobicContact CE2-CG 4.23Å
110G77.4Confident74.7Confident10 Ų1065.7 Ų65.710%0.10336%0.36CS..  trans-72.3154.3-176.600000112.4K108 R190 D191K108-G110 PolarHBondContact O-N 3.41Å; G110-R190 WeakPolarHBondContact O-CA 3.43Å; G110-D191 PolarHBondContact O-N 3.36Å; G110-D191 VanDerWaalsContact O-N 3.15Å
111V90.5Very high76.7Confident15 Ų1569.3 Ų69.39%0.09136%0.362CS..EExtended strand (participates in β ladder)trans-100.5126.8164.3-179.40000107.4L10 L158 V188 L189 R190L10-V111 HydrophobicContact CD2-CG1 4.21Å; V111-L158 HydrophobicContact CG1-CD1 3.91Å; V111-L158 HydrophobicContact CG2-CD1 3.98Å; V111-V188 HydrophobicContact CG1-CG1 3.37Å; V111-L189 CarbonylContact C-O 3.57Å; V111-L189 VanDerWaalsContact CA-O 3.25Å; V111-L189 WeakPolarHBondContact CA-O 3.2Å; V111-R190 HydrophobicContact CG2-CB 4.36Å
112R92.2Very high78.8Confident73 Ų7366.7 Ų66.728%0.27535%0.353SS..EExtended strand (participates in β ladder)trans-126.7149.9177.460.3172.2166.7142.15.4111.9V114 G150 D155 L189 D191R112-V114 HydrophobicContact CG-CG2 4.38Å; R112-G150 PolarHBondContact NH1-O 3.06Å; R112-G150 PolarHBondContact NH2-O 3.15Å; R112-D155 IonicContact NH2-OD2 3.12Å; R112-D155 PolarHBondContact NH2-OD2 2.92Å; R112-L189 HydrophobicContact CG-CB 4.48Å; R112-L189 PolarHBondContact N-O 2.87Å; R112-L189 PolarHBondContact O-N 3.48Å; R112-D191 IonicContact CZ-OD1 2.72Å; R112-D191 IonicContact CZ-OD2 3.93Å; R112-D191 VanDerWaalsContact NE-CG 3.29Å; R112-D191 IonicContact NE-OD1 3.02Å; R112-D191 PolarHBondContact NE-OD1 2.98Å; R112-D191 IonicContact NE-OD2 2.65Å; R112-D191 PolarHBondContact NE-OD2 2.8Å; R112-D191 VanDerWaalsContact NE-OD2 3.12Å; R112-D191 IonicContact NH2-OD1 2.71Å; R112-D191 PolarHBondContact NH2-OD1 2.84Å
113L93.1Very high81.2Confident72 Ų7264.9 Ų64.938%0.37735%0.345SS..EExtended strand (participates in β ladder)trans-90.3128.9168.7177.163.9000109R186 V188L113-R186 HydrophobicContact CD1-CB 3.9Å; L113-R186 HydrophobicContact CD1-CG 4.09Å; L113-V188 HydrophobicContact CD1-CG2 4.1Å
114V93.8Very high83.5Confident9 Ų961 Ų616%0.05532%0.324CS..EExtended strand (participates in β ladder)trans-118.2129.3170.8-178.80000108.4R112 L116 G149 V151 L187 L189R112-V114 HydrophobicContact CG-CG2 4.38Å; V114-L116 HydrophobicContact CG1-CD2 3.53Å; V114-L116 HydrophobicContact CG1-CG 3.94Å; V114-G149 VanDerWaalsContact CG1-O 3.28Å; V114-G149 WeakPolarHBondContact CG1-O 3.37Å; V114-V151 HydrophobicContact CG1-CG2 4.23Å; V114-L187 PolarHBondContact N-O 3.31Å; V114-L187 PolarHBondContact O-N 2.97Å; V114-L189 HydrophobicContact CB-CD1 4.39Å; V114-L189 HydrophobicContact CG2-CD1 3.85Å; V114-L189 HydrophobicContact CG2-CG 4.44Å
115T94.7Very high85.5Confident75 Ų7558.8 Ų58.846%0.4631%0.31SS..EExtended strand (participates in β ladder)trans-105.6121.9175.5-57.80000109.1N184 I185T115-N184 HydrophobicContact CG2-CB 4.41Å; T115-I185 CarbonylContact C-O 3.53Å; T115-I185 WeakPolarHBondContact CA-O 3.32Å
116L95.4Very high87.2Confident6 Ų658 Ų583%0.03131%0.306CS..EExtended strand (participates in β ladder)trans-117.2157-175.4-58.1-179.4000111.7V114 V124 P145 A146 V151 N184 I185 L187V114-L116 HydrophobicContact CG1-CD2 3.53Å; V114-L116 HydrophobicContact CG1-CG 3.94Å; L116-V124 HydrophobicContact CB-CG1 4.22Å; L116-V124 HydrophobicContact CD1-CG1 3.45Å; L116-V124 VanDerWaalsContact CD1-CG1 3.45Å; L116-V124 HydrophobicContact CG-CG1 4.44Å; L116-P145 WeakPolarHBondContact CD2-O 3.13Å; L116-A146 HydrophobicContact CD1-CB 4.16Å; L116-V151 HydrophobicContact CD1-CG2 4.12Å; L116-V151 HydrophobicContact CD2-CG2 4.48Å; L116-N184 PolarHBondContact O-N 3.27Å; L116-I185 HydrophobicContact CB-CB 4.34Å; L116-I185 PolarHBondContact N-O 3.01Å; L116-I185 PolarHBondContact O-N 2.92Å; L116-L187 HydrophobicContact CD1-CD1 3.54Å; L116-L187 HydrophobicContact CD1-CG 4.2Å
117C94.3Very high88.6Confident58 Ų5857.3 Ų57.339%0.39230%0.301SS..  trans-113.2165.3164.657.80000110.4P145 P182C117-P145 WeakPolarHBondContact O-CB 3.35Å; C117-P145 WeakPolarHBondContact O-CG 3.44Å; C117-P182 CarbonylContact C-O 3.59Å; C117-P182 WeakPolarHBondContact CA-O 3.21Å
118K95Very high90.3Very high34 Ų3456 Ų5615%0.14829%0.294CS..  trans-87.8143.5166.1-63.5-176179.3174.60108.6G122 K123 V124 K178 S180 P182 I185K118-G122 WeakPolarHBondContact CD-O 3.18Å; K118-K123 WeakPolarHBondContact CA-O 3.37Å; K118-V124 HydrophobicContact CG-CG2 3.94Å; K118-K178 PolarHBondContact NZ-O 3.5Å; K118-S180 WeakPolarHBondContact CE-O 3.29Å; K118-S180 PolarHBondContact NZ-O 3.18Å; K118-P182 PolarHBondContact N-O 2.71Å; K118-I185 HydrophobicContact CD-CD1 4.41Å; K118-I185 HydrophobicContact CG-CD1 3.83Å
119N93.9Very high91.9Very high51 Ų5154.9 Ų54.927%0.27329%0.289SS..  trans-71177.7167.367.610.1000111.3F121 G122 K123 P145N119-F121 PolarHBondContact O-N 3.26Å; N119-F121 WeakPolarHBondContact OD1-CB 3.34Å; N119-F121 PolarHBondContact OD1-N 3Å; N119-F121 VanDerWaalsContact OD1-N 3.13Å; N119-G122 PolarHBondContact O-N 2.86Å; N119-G122 PolarHBondContact OD1-N 2.98Å; N119-K123 PolarHBondContact N-O 2.98Å; N119-K123 WeakPolarHBondContact OD1-CB 3.34Å; N119-K123 PolarHBondContact OD1-N 3.03Å; N119-K123 PolarHBondContact OD1-O 2.78Å; N119-K123 VanDerWaalsContact OD1-O 3.07Å; N119-P145 HydrophobicContact CB-CG 4.1Å
120E93Very high93.3Very high190 Ų19054.9 Ų54.989%0.88828%0.282SS*.THydrogen-bonded Turntrans-52-29.8177.8-61.9170.2-176.700113.4G122E120-G122 VanDerWaalsContact C-N 3.28Å; E120-G122 PolarHBondContact O-N 3.3Å
121F92.1Very high94.2Very high154 Ų15454.9 Ų54.968%0.67528%0.28SS*.THydrogen-bonded Turntrans-84.68.2177.2-53.2-72000114.2N119 K123N119-F121 PolarHBondContact O-N 3.26Å; N119-F121 WeakPolarHBondContact OD1-CB 3.34Å; N119-F121 PolarHBondContact OD1-N 3Å; N119-F121 VanDerWaalsContact OD1-N 3.13Å; F121-K123 VanDerWaalsContact C-N 3.3Å; F121-K123 HydrophobicContact CB-CD 4.42Å; F121-K123 HydrophobicContact CB-CG 4.49Å; F121-K123 PolarHBondContact O-N 3.36Å
122G91.9Very high94.3Very high43 Ų4361.3 Ų61.344%0.44331%0.308SS..SBendtrans69.124.2-177.100000113.9K118 N119 E120K118-G122 WeakPolarHBondContact CD-O 3.18Å; N119-G122 PolarHBondContact O-N 2.86Å; N119-G122 PolarHBondContact OD1-N 2.98Å; E120-G122 VanDerWaalsContact C-N 3.28Å; E120-G122 PolarHBondContact O-N 3.3Å
123K93.7Very high94.3Very high123 Ų12365.1 Ų65.154%0.53533%0.327SS..  trans-117.5145.3-177.3-63.1175-173.3171.20111.9K118 N119 F121K118-K123 WeakPolarHBondContact CA-O 3.37Å; N119-K123 PolarHBondContact N-O 2.98Å; N119-K123 WeakPolarHBondContact OD1-CB 3.34Å; N119-K123 PolarHBondContact OD1-N 3.03Å; N119-K123 PolarHBondContact OD1-O 2.78Å; N119-K123 VanDerWaalsContact OD1-O 3.07Å; F121-K123 VanDerWaalsContact C-N 3.3Å; F121-K123 HydrophobicContact CB-CD 4.42Å; F121-K123 HydrophobicContact CB-CG 4.49Å; F121-K123 PolarHBondContact O-N 3.36Å
124V95.3Very high94.4Very high8 Ų862 Ų625%0.04831%0.312CS..  trans-90.5-22.9174.1177.40000111.9L116 K118 I126 A146 L177 I185L116-V124 HydrophobicContact CB-CG1 4.22Å; L116-V124 HydrophobicContact CD1-CG1 3.45Å; L116-V124 VanDerWaalsContact CD1-CG1 3.45Å; L116-V124 HydrophobicContact CG-CG1 4.44Å; K118-V124 HydrophobicContact CG-CG2 3.94Å; V124-I126 HydrophobicContact CG1-CD1 4.36Å; V124-I126 HydrophobicContact CG1-CG1 4.26Å; V124-A146 HydrophobicContact CG1-CB 4.04Å; V124-A146 WeakPolarHBondContact O-CB 3.33Å; V124-A146 PolarHBondContact O-N 2.73Å; V124-A146 VanDerWaalsContact O-N 3.12Å; V124-L177 HydrophobicContact CB-CD2 4.46Å; V124-L177 HydrophobicContact CG2-CD1 4.31Å; V124-L177 HydrophobicContact CG2-CG 4.39Å; V124-I185 HydrophobicContact CG2-CD1 3.59Å
125G95.2Very high94.6Very high9 Ų961.5 Ų61.59%0.09331%0.309CS..SBendtrans88.624.8178.900000115.6V140 E141G125-V140 CarbonylContact O-C 3.52Å; G125-V140 WeakPolarHBondContact O-CA 3.25Å; G125-E141 WeakPolarHBondContact O-CB 3.5Å; G125-E141 PolarHBondContact O-N 2.75Å
126I96Very high94.7Very high10 Ų1058.3 Ų58.35%0.05129%0.289CS..EExtended strand (participates in β ladder)trans-123.6154.6176.258.5179.7000112.8V124 L128 F139 V140 A146 V151 M174 L177 L187V124-I126 HydrophobicContact CG1-CD1 4.36Å; V124-I126 HydrophobicContact CG1-CG1 4.26Å; I126-L128 HydrophobicContact CD1-CD2 4.14Å; I126-F139 VanDerWaalsContact CA-O 3.32Å; I126-F139 WeakPolarHBondContact CA-O 3.38Å; I126-V140 HydrophobicContact CG2-CG1 4.28Å; I126-V140 HydrophobicContact CG2-CG2 4.18Å; I126-A146 HydrophobicContact CG2-CB 3.28Å; I126-V151 HydrophobicContact CG2-CG1 4.3Å; I126-M174 WeakPolarHBondContact O-CE 3.42Å; I126-L177 HydrophobicContact CD1-CD2 3.74Å; I126-L177 HydrophobicContact CG1-CD2 3.63Å; I126-L187 HydrophobicContact CD1-CD1 4.01Å
127Q95.4Very high94.8Very high59 Ų5958 Ų5828%0.27629%0.287SS..EExtended strand (participates in β ladder)trans-118.5134.3163.3-55.5-173.641.100110.1S138 F139Q127-S138 PolarHBondContact O-N 2.89Å; Q127-S138 PolarHBondContact O-OG 2.76Å; Q127-F139 HydrophobicContact CB-CB 4.01Å; Q127-F139 HydrophobicContact CG-CB 4.1Å; Q127-F139 HydrophobicContact CG-CD1 4.08Å; Q127-F139 PolarHBondContact N-O 3.4Å
128L96.3Very high94.9Very high12 Ų1255.3 Ų55.36%0.06327%0.269CS..EExtended strand (participates in β ladder)trans-104.6142.2179.6-59.7-179000110.9I126 I135 F136 V137 V157 I160 M174I126-L128 HydrophobicContact CD1-CD2 4.14Å; L128-I135 HydrophobicContact CB-CG2 3.89Å; L128-I135 HydrophobicContact CD1-CG2 4.03Å; L128-I135 HydrophobicContact CD2-CG2 4.29Å; L128-I135 HydrophobicContact CG-CG2 4.29Å; L128-F136 CarbonylContact C-O 3.55Å; L128-F136 WeakPolarHBondContact CA-O 3.33Å; L128-V137 HydrophobicContact CD2-CG2 3.97Å; L128-V157 HydrophobicContact CD1-CG2 4.46Å; L128-V157 HydrophobicContact CD2-CG2 3.63Å; L128-I160 HydrophobicContact CD1-CD1 3.96Å; L128-M174 HydrophobicContact CB-CG 4.1Å; L128-M174 HydrophobicContact CB-SD 3.75Å; L128-M174 HydrophobicContact CD1-SD 4.18Å; L128-M174 HydrophobicContact CG-SD 3.72Å; L128-M174 PolarHBondContact N-SD 3.46Å; L128-M174 VanDerWaalsContact N-SD 3.36Å
129K95.4Very high94.9Very high55 Ų5553.9 Ų53.924%0.23926%0.263CS..EExtended strand (participates in β ladder)trans-131.1133.6-178.9-166.170.2175.4-174.80110.7I131 F136 L277 S280K129-I131 HydrophobicContact CG-CG1 4.4Å; K129-F136 PolarHBondContact N-O 3.31Å; K129-F136 PolarHBondContact O-N 2.73Å; K129-L277 HydrophobicContact CB-CD2 4.4Å; K129-S280 PolarHBondContact NZ-OG 3.09Å
130E95.9Very high95.1Very high87 Ų8751.5 Ų51.541%0.40725%0.25SS..EExtended strand (participates in β ladder)trans-79.3128.9170.8-171.5-162.7154.700110.5G134 I135 S169E130-G134 CarbonylContact C-O 3.59Å; E130-G134 WeakPolarHBondContact CA-O 3.47Å; E130-I135 HydrophobicContact CB-CD1 4.16Å; E130-I135 HydrophobicContact CG-CD1 4.4Å; E130-S169 WeakPolarHBondContact OE2-CA 3.45Å
131I95.3Very high95.2Very high10 Ų1045.3 Ų45.35%0.05122%0.222CC..EExtended strand (participates in β ladder)trans-139.1122.7170.6-58.3176.9000108K129 K133 G134 F136 F273 K276 L277K129-I131 HydrophobicContact CG-CG1 4.4Å; I131-K133 VanDerWaalsContact C-N 3.3Å; I131-K133 PolarHBondContact O-N 3.42Å; I131-G134 PolarHBondContact N-O 2.87Å; I131-G134 WeakPolarHBondContact O-CA 2.92Å; I131-G134 PolarHBondContact O-N 2.95Å; I131-F136 HydrophobicContact CB-CD2 3.82Å; I131-F136 HydrophobicContact CB-CE2 3.94Å; I131-F136 HydrophobicContact CD1-CD2 4.41Å; I131-F136 HydrophobicContact CG1-CD2 4.26Å; I131-F136 WeakPolarHBondContact O-CE2 3.36Å; I131-F273 HydrophobicContact CB-CE2 4.27Å; I131-F273 HydrophobicContact CD1-CD2 4.05Å; I131-F273 HydrophobicContact CD1-CE2 3.6Å; I131-F273 HydrophobicContact CD1-CZ 3.96Å; I131-F273 HydrophobicContact CG2-CD2 4.14Å; I131-F273 HydrophobicContact CG2-CE2 3.88Å; I131-K276 HydrophobicContact CD1-CB 3.72Å; I131-K276 HydrophobicContact CG1-CB 4.16Å; I131-K276 HydrophobicContact CG2-CD 3.95Å; I131-L277 HydrophobicContact CD1-CD2 3.56Å; I131-L277 HydrophobicContact CD1-CG 3.78Å
132Q93Very high95.3Very high149 Ų14939 Ų3970%0.69620%0.2SC*.THydrogen-bonded Turntrans52.142.8175.5-65175.5-29.600113.9G134Q132-G134 PolarHBondContact O-N 2.9Å
133K92.7Very high95.2Very high153 Ų15346 Ų4667%0.66522%0.218SC*.THydrogen-bonded Turntrans652.4-174.1-50.2179.6178.9-178.40115.7I131 G167I131-K133 VanDerWaalsContact C-N 3.3Å; I131-K133 PolarHBondContact O-N 3.42Å; K133-G167 PolarHBondContact O-N 2.91Å
134G95.1Very high95.3Very high6 Ų640.4 Ų40.46%0.06219%0.194CC..EExtended strand (participates in β ladder)trans-95.1155167.300000111.6E130 I131 Q132E130-G134 CarbonylContact C-O 3.59Å; E130-G134 WeakPolarHBondContact CA-O 3.47Å; I131-G134 PolarHBondContact N-O 2.87Å; I131-G134 WeakPolarHBondContact O-CA 2.92Å; I131-G134 PolarHBondContact O-N 2.95Å; Q132-G134 PolarHBondContact O-N 2.9Å
135I97.4Very high95.3Very high0 Ų040.9 Ų40.90%020%0.198CC..EExtended strand (participates in β ladder)trans-105130174.1-59.8-61.7000108.9L128 E130 Q156 V157 V165 C168 S173L128-I135 HydrophobicContact CB-CG2 3.89Å; L128-I135 HydrophobicContact CD1-CG2 4.03Å; L128-I135 HydrophobicContact CD2-CG2 4.29Å; L128-I135 HydrophobicContact CG-CG2 4.29Å; E130-I135 HydrophobicContact CB-CD1 4.16Å; E130-I135 HydrophobicContact CG-CD1 4.4Å; I135-Q156 CarbonylContact O-C 3.58Å; I135-Q156 WeakPolarHBondContact O-CA 3.49Å; I135-Q156 WeakPolarHBondContact O-CG 3.44Å; I135-V157 HydrophobicContact CB-CB 4.31Å; I135-V157 HydrophobicContact CG2-CB 4.02Å; I135-V157 HydrophobicContact CG2-CG2 4.2Å; I135-V157 PolarHBondContact O-N 2.81Å; I135-V165 HydrophobicContact CB-CG2 4.02Å; I135-V165 HydrophobicContact CG1-CB 4.06Å; I135-V165 HydrophobicContact CG1-CG2 3.89Å; I135-V165 WeakPolarHBondContact CG1-O 3.44Å; I135-C168 WeakPolarHBondContact CD1-O 3.22Å; I135-S173 WeakPolarHBondContact CD1-OG 3.3Å; I135-S173 WeakPolarHBondContact CG1-OG 3.2Å
136F97.2Very high95.3Very high7 Ų740.5 Ų40.53%0.03119%0.194CC..EExtended strand (participates in β ladder)trans-130.3149.4-175.6-62.5-90000111.6L128 K129 I131 S138 D155 Q156 P193 F194 F273 L277L128-F136 CarbonylContact C-O 3.55Å; L128-F136 WeakPolarHBondContact CA-O 3.33Å; K129-F136 PolarHBondContact N-O 3.31Å; K129-F136 PolarHBondContact O-N 2.73Å; I131-F136 HydrophobicContact CB-CD2 3.82Å; I131-F136 HydrophobicContact CB-CE2 3.94Å; I131-F136 HydrophobicContact CD1-CD2 4.41Å; I131-F136 HydrophobicContact CG1-CD2 4.26Å; I131-F136 WeakPolarHBondContact O-CE2 3.36Å; F136-S138 PolarHBondContact O-N 2.86Å; F136-D155 CarbonylContact C-O 3.47Å; F136-D155 VanDerWaalsContact CA-O 3.28Å; F136-D155 WeakPolarHBondContact CA-O 3.19Å; F136-Q156 HydrophobicContact CD1-CB 3.76Å; F136-Q156 HydrophobicContact CD1-CG 4.04Å; F136-Q156 HydrophobicContact CE1-CB 3.54Å; F136-Q156 HydrophobicContact CE1-CG 3.59Å; F136-Q156 HydrophobicContact CZ-CB 4.33Å; F136-Q156 HydrophobicContact CZ-CG 3.86Å; F136-P193 HydrophobicContact CE1-CG 4Å; F136-F194 HydrophobicContact CE1-CD2 4.05Å; F136-F194 AromaticContact CE1-CE2 3.67Å; F136-F194 HydrophobicContact CE1-CE2 3.67Å; F136-F194 HydrophobicContact CZ-CD2 4.47Å; F136-F194 AromaticContact CZ-CE2 3.67Å; F136-F194 HydrophobicContact CZ-CE2 3.67Å; F136-F273 AromaticContact CD1-CZ 3.75Å; F136-F273 HydrophobicContact CD1-CZ 3.75Å; F136-F273 HydrophobicContact CD2-CZ 4.4Å; F136-F273 HydrophobicContact CE1-CE2 4.45Å; F136-F273 AromaticContact CE1-CZ 3.97Å; F136-F273 HydrophobicContact CE1-CZ 3.97Å; F136-F273 AromaticContact CG-CZ 3.98Å; F136-F273 HydrophobicContact CG-CZ 3.98Å; F136-F273 HydrophobicContact CZ-CE2 4.46Å; F136-F273 HydrophobicContact CZ-CZ 4.41Å; F136-L277 HydrophobicContact CB-CD2 3.72Å
137V96.8Very high95.2Very high0 Ų040.2 Ų40.20%019%0.193CC..EExtended strand (participates in β ladder)trans-77.3112.1173.9-178.70000109L128 V140 V151 R152 G154 D155 V157L128-V137 HydrophobicContact CD2-CG2 3.97Å; V137-V140 HydrophobicContact CG1-CG2 3.47Å; V137-V140 VanDerWaalsContact CG1-CG2 3.47Å; V137-V151 HydrophobicContact CG1-CG1 4.16Å; V137-V151 HydrophobicContact CG2-CG1 3.85Å; V137-R152 WeakPolarHBondContact CB-O 3.43Å; V137-R152 WeakPolarHBondContact CG1-O 3.37Å; V137-G154 PolarHBondContact O-N 3.15Å; V137-D155 HydrophobicContact CB-CB 4.34Å; V137-D155 HydrophobicContact CG2-CB 3.97Å; V137-D155 PolarHBondContact N-O 2.85Å; V137-V157 HydrophobicContact CG2-CG2 4.2Å
138S96Very high95Very high2 Ų242.8 Ų42.81%0.01421%0.208CC..EExtended strand (participates in β ladder)trans-96.7-16.9179.359.60000113.8Q127 F136 F153 L277 L281Q127-S138 PolarHBondContact O-N 2.89Å; Q127-S138 PolarHBondContact O-OG 2.76Å; F136-S138 PolarHBondContact O-N 2.86Å; S138-F153 VanDerWaalsContact O-CD2 3.27Å; S138-F153 WeakPolarHBondContact O-CD2 3.45Å; S138-F153 WeakPolarHBondContact O-CE2 3.28Å; S138-L277 WeakPolarHBondContact CB-O 3.45Å; S138-L281 WeakPolarHBondContact O-CD1 3.4Å
139F96.4Very high94.8Very high4 Ų443.5 Ų43.52%0.01822%0.218CC..EExtended strand (participates in β ladder)trans-156.4140.6178.5178.3-102.3000110.1I126 Q127 E141 L281 Q285 L286 Q289 M290I126-F139 VanDerWaalsContact CA-O 3.32Å; I126-F139 WeakPolarHBondContact CA-O 3.38Å; Q127-F139 HydrophobicContact CB-CB 4.01Å; Q127-F139 HydrophobicContact CG-CB 4.1Å; Q127-F139 HydrophobicContact CG-CD1 4.08Å; Q127-F139 PolarHBondContact N-O 3.4Å; F139-E141 HydrophobicContact CE1-CB 3.84Å; F139-E141 HydrophobicContact CZ-CB 4.31Å; F139-L281 HydrophobicContact CB-CD1 4Å; F139-L281 HydrophobicContact CB-CD2 4.43Å; F139-Q285 HydrophobicContact CD2-CG 4.32Å; F139-Q285 HydrophobicContact CE1-CG 4.46Å; F139-Q285 HydrophobicContact CE2-CG 3.76Å; F139-Q285 HydrophobicContact CZ-CG 3.85Å; F139-L286 HydrophobicContact CD2-CD2 4.07Å; F139-Q289 HydrophobicContact CE2-CB 4.23Å; F139-Q289 HydrophobicContact CZ-CB 3.63Å; F139-M290 HydrophobicContact CD2-SD 3.58Å; F139-M290 VanDerWaalsContact CD2-SD 3.58Å; F139-M290 HydrophobicContact CE2-CB 4.04Å; F139-M290 HydrophobicContact CE2-SD 3.98Å; F139-M290 HydrophobicContact CG-SD 4.34Å
140V96.3Very high94.6Very high0 Ų041.8 Ų41.80%022%0.216CC..EExtended strand (participates in β ladder)trans-129.7125.3170.5-172.70000107.3G125 I126 V137 A146 A147 V151 M290 D291G125-V140 CarbonylContact O-C 3.52Å; G125-V140 WeakPolarHBondContact O-CA 3.25Å; I126-V140 HydrophobicContact CG2-CG1 4.28Å; I126-V140 HydrophobicContact CG2-CG2 4.18Å; V137-V140 HydrophobicContact CG1-CG2 3.47Å; V137-V140 VanDerWaalsContact CG1-CG2 3.47Å; V140-A146 HydrophobicContact CG1-CB 4.22Å; V140-A147 HydrophobicContact CG1-CB 4.05Å; V140-V151 HydrophobicContact CG2-CG1 4.3Å; V140-M290 HydrophobicContact CB-CE 3.75Å; V140-M290 HydrophobicContact CG2-CE 4.09Å; V140-M290 CarbonylContact O-C 3.54Å; V140-M290 WeakPolarHBondContact O-CA 3.36Å; V140-D291 HydrophobicContact CB-CB 4.45Å; V140-D291 HydrophobicContact CG1-CB 4.28Å; V140-D291 PolarHBondContact O-N 3.25Å
141E95.6Very high94.5Very high61 Ų6137.7 Ų37.729%0.28520%0.197SC..BIsolated β-bridgetrans-77.2131179.1-172.7167.1-150.200110.2G125 F139 S144 Q289G125-E141 WeakPolarHBondContact O-CB 3.5Å; G125-E141 PolarHBondContact O-N 2.75Å; F139-E141 HydrophobicContact CE1-CB 3.84Å; F139-E141 HydrophobicContact CZ-CB 4.31Å; E141-S144 WeakPolarHBondContact O-CB 3.24Å; E141-S144 PolarHBondContact O-N 2.91Å; E141-S144 PolarHBondContact O-OG 3.25Å; E141-Q289 WeakPolarHBondContact CA-O 3.48Å
142G93.8Very high94.5Very high21 Ų2138.5 Ų38.522%0.21620%0.199CC..THydrogen-bonded Turntrans-57.9140.5176.700000112S144 Q289G142-S144 PolarHBondContact O-N 3.13Å; G142-Q289 PolarHBondContact N-O 2.75Å
143F91.2Very high94.5Very high190 Ų19031.5 Ų31.583%0.83317%0.167SC*.THydrogen-bonded Turntrans59.510.2-176.5-47.9-79.9000115.6
144S94.7Very high94.6Very high5 Ų524.3 Ų24.34%0.03514%0.136CC..SBendtrans-75.1161.3173.970.10000112.7E141 G142 A146 A147 L148E141-S144 WeakPolarHBondContact O-CB 3.24Å; E141-S144 PolarHBondContact O-N 2.91Å; E141-S144 PolarHBondContact O-OG 3.25Å; G142-S144 PolarHBondContact O-N 3.13Å; S144-A146 PolarHBondContact O-N 2.98Å; S144-A146 VanDerWaalsContact O-N 3.14Å; S144-A147 WeakPolarHBondContact O-CB 3.11Å; S144-A147 PolarHBondContact O-N 2.92Å; S144-A147 PolarHBondContact OG-N 3.18Å; S144-L148 PolarHBondContact O-N 3.38Å
145P94.7Very high94.7Very high19 Ų1924 Ų2412%0.12313%0.133CC..Hα-helixtrans-52.2-34.6173.6-29.136.1000114L116 C117 N119 L148 G149L116-P145 WeakPolarHBondContact CD2-O 3.13Å; C117-P145 WeakPolarHBondContact O-CB 3.35Å; C117-P145 WeakPolarHBondContact O-CG 3.44Å; N119-P145 HydrophobicContact CB-CG 4.1Å; P145-L148 PolarHBondContact O-N 3.42Å; P145-G149 PolarHBondContact O-N 3.47Å
146A95.5Very high94.6Very high0 Ų025.2 Ų25.20%014%0.138CC..Hα-helixtrans-69.8-39.2175.500000114.2L116 V124 I126 V140 S144 L148 G149 G150 V151L116-A146 HydrophobicContact CD1-CB 4.16Å; V124-A146 HydrophobicContact CG1-CB 4.04Å; V124-A146 WeakPolarHBondContact O-CB 3.33Å; V124-A146 PolarHBondContact O-N 2.73Å; V124-A146 VanDerWaalsContact O-N 3.12Å; I126-A146 HydrophobicContact CG2-CB 3.28Å; V140-A146 HydrophobicContact CG1-CB 4.22Å; S144-A146 PolarHBondContact O-N 2.98Å; S144-A146 VanDerWaalsContact O-N 3.14Å; A146-L148 VanDerWaalsContact C-N 3.32Å; A146-G149 CarbonylContact O-C 3.51Å; A146-G149 PolarHBondContact O-N 2.77Å; A146-G150 PolarHBondContact O-N 2.91Å; A146-V151 HydrophobicContact CB-CB 4.14Å; A146-V151 HydrophobicContact CB-CG2 4.08Å; A146-V151 WeakPolarHBondContact O-CB 3.3Å; A146-V151 WeakPolarHBondContact O-CG2 3.31Å; A146-V151 PolarHBondContact O-N 2.86Å
147A93.9Very high94.6Very high4 Ų424.9 Ų24.93%0.03314%0.137CC..Hα-helixtrans-62.1-43.6173.600000110.6V140 S144 G149 G150 D291V140-A147 HydrophobicContact CG1-CB 4.05Å; S144-A147 WeakPolarHBondContact O-CB 3.11Å; S144-A147 PolarHBondContact O-N 2.92Å; S144-A147 PolarHBondContact OG-N 3.18Å; A147-G149 PolarHBondContact O-N 3.18Å; A147-G150 PolarHBondContact O-N 3.34Å; A147-D291 HydrophobicContact CB-CB 4.05Å
148L92.2Very high94.6Very high114 Ų11425.5 Ų25.560%0.59714%0.14SC*.Hα-helixtrans-64.9-36.5175.3-64175000112.7S144 P145 A146 G150S144-L148 PolarHBondContact O-N 3.38Å; P145-L148 PolarHBondContact O-N 3.42Å; A146-L148 VanDerWaalsContact C-N 3.32Å; L148-G150 PolarHBondContact O-N 2.79Å
149G91.3Very high94.6Very high26 Ų2625.8 Ų25.827%0.26814%0.141SC..THydrogen-bonded Turntrans-72.92.817100000114.8V114 P145 A146 A147 V151V114-G149 VanDerWaalsContact CG1-O 3.28Å; V114-G149 WeakPolarHBondContact CG1-O 3.37Å; P145-G149 PolarHBondContact O-N 3.47Å; A146-G149 CarbonylContact O-C 3.51Å; A146-G149 PolarHBondContact O-N 2.77Å; A147-G149 PolarHBondContact O-N 3.18Å; G149-V151 VanDerWaalsContact C-N 3.34Å; G149-V151 PolarHBondContact O-N 2.92Å
150G91.3Very high94.5Very high20 Ų2025.6 Ų25.621%0.20614%0.14CC..THydrogen-bonded Turntrans71.523.4177.100000114.7R112 A146 A147 L148R112-G150 PolarHBondContact NH1-O 3.06Å; R112-G150 PolarHBondContact NH2-O 3.15Å; A146-G150 PolarHBondContact O-N 2.91Å; A147-G150 PolarHBondContact O-N 3.34Å; L148-G150 PolarHBondContact O-N 2.79Å
151V94.3Very high94.4Very high0 Ų027.7 Ų27.70%015%0.152CC..  trans-72134.8170.6-174.20000108.9V114 L116 I126 V137 V140 A146 G149 L189V114-V151 HydrophobicContact CG1-CG2 4.23Å; L116-V151 HydrophobicContact CD1-CG2 4.12Å; L116-V151 HydrophobicContact CD2-CG2 4.48Å; I126-V151 HydrophobicContact CG2-CG1 4.3Å; V137-V151 HydrophobicContact CG1-CG1 4.16Å; V137-V151 HydrophobicContact CG2-CG1 3.85Å; V140-V151 HydrophobicContact CG2-CG1 4.3Å; A146-V151 HydrophobicContact CB-CB 4.14Å; A146-V151 HydrophobicContact CB-CG2 4.08Å; A146-V151 WeakPolarHBondContact O-CB 3.3Å; A146-V151 WeakPolarHBondContact O-CG2 3.31Å; A146-V151 PolarHBondContact O-N 2.86Å; G149-V151 VanDerWaalsContact C-N 3.34Å; G149-V151 PolarHBondContact O-N 2.92Å; V151-L189 HydrophobicContact CB-CD1 4.5Å; V151-L189 HydrophobicContact CG1-CD1 4.19Å; V151-L189 HydrophobicContact CG2-CD1 4Å
152R94.1Very high94.3Very high27 Ų2729.2 Ų29.210%0.10216%0.162CC..  trans-120160.8-178.6-64.8-59-174.2-143.921111.9V137 D155 D291 S293V137-R152 WeakPolarHBondContact CB-O 3.43Å; V137-R152 WeakPolarHBondContact CG1-O 3.37Å; R152-D155 PolarHBondContact N-OD2 2.86Å; R152-D155 PolarHBondContact O-N 2.92Å; R152-D291 IonicContact CZ-OD2 2.89Å; R152-D291 IonicContact NH1-OD2 2.69Å; R152-D291 PolarHBondContact NH1-OD2 2.96Å; R152-S293 PolarHBondContact NH1-OG 3.4Å; R152-S293 PolarHBondContact NH2-O 3.4Å; R152-S293 VanDerWaalsContact NH2-O 3.17Å; R152-S293 PolarHBondContact NH2-OG 3.17Å; R152-S293 VanDerWaalsContact NH2-OG 3.17Å
153F95Very high94.3Very high3 Ų332.3 Ų32.31%0.01317%0.173CC..THydrogen-bonded Turntrans-57.3141.4166.8178.4-88.8000109.1S138 D155 I238 V246 I269 Y274 L277 T278 M290S138-F153 VanDerWaalsContact O-CD2 3.27Å; S138-F153 WeakPolarHBondContact O-CD2 3.45Å; S138-F153 WeakPolarHBondContact O-CE2 3.28Å; F153-D155 VanDerWaalsContact C-N 3.29Å; F153-D155 PolarHBondContact O-N 3.2Å; F153-I238 HydrophobicContact CE1-CG2 4.31Å; F153-V246 HydrophobicContact CD1-CG2 4.18Å; F153-V246 HydrophobicContact CD2-CG2 4.48Å; F153-V246 HydrophobicContact CE1-CG2 4.37Å; F153-V246 HydrophobicContact CE2-CG1 4.3Å; F153-V246 HydrophobicContact CG-CG2 4.23Å; F153-I269 HydrophobicContact CE1-CD1 4.45Å; F153-Y274 HydrophobicContact CE1-CD2 4.15Å; F153-Y274 AromaticContact CZ-CD2 3.85Å; F153-Y274 HydrophobicContact CZ-CD2 3.85Å; F153-Y274 HydrophobicContact CZ-CE2 4.03Å; F153-L277 HydrophobicContact CD1-CD1 4.33Å; F153-L277 HydrophobicContact CE1-CD1 3.56Å; F153-L277 HydrophobicContact CE2-CB 4.19Å; F153-L277 HydrophobicContact CE2-CD1 4.09Å; F153-L277 HydrophobicContact CZ-CB 3.91Å; F153-L277 HydrophobicContact CZ-CD1 3.42Å; F153-L277 VanDerWaalsContact CZ-CD1 3.42Å; F153-L277 HydrophobicContact CZ-CG 4.32Å; F153-T278 HydrophobicContact CE2-CG2 4.21Å; F153-T278 HydrophobicContact CZ-CG2 4.19Å; F153-M290 HydrophobicContact CB-CE 3.83Å
154G94.8Very high94.5Very high1 Ų127.7 Ų27.71%0.0116%0.156CC..THydrogen-bonded Turntrans84.5-13.4178.400000115.6V137V137-G154 PolarHBondContact O-N 3.15Å
155D95.5Very high94.5Very high0 Ų027.4 Ų27.40%015%0.154CC..PPolyproline II helixtrans-56.5139.2173.7-77.5-18.8000111.6R112 F136 V137 R152 F153 R192R112-D155 IonicContact NH2-OD2 3.12Å; R112-D155 PolarHBondContact NH2-OD2 2.92Å; F136-D155 CarbonylContact C-O 3.47Å; F136-D155 VanDerWaalsContact CA-O 3.28Å; F136-D155 WeakPolarHBondContact CA-O 3.19Å; V137-D155 HydrophobicContact CB-CB 4.34Å; V137-D155 HydrophobicContact CG2-CB 3.97Å; V137-D155 PolarHBondContact N-O 2.85Å; R152-D155 PolarHBondContact N-OD2 2.86Å; R152-D155 PolarHBondContact O-N 2.92Å; F153-D155 VanDerWaalsContact C-N 3.29Å; F153-D155 PolarHBondContact O-N 3.2Å; D155-R192 VanDerWaalsContact OD1-CG 3.24Å; D155-R192 WeakPolarHBondContact OD1-CG 3.41Å; D155-R192 PolarHBondContact OD1-N 2.64Å
156Q96.3Very high94.4Very high25 Ų2530.2 Ų30.212%0.11717%0.171CC..EExtended strand (participates in β ladder)trans-95.9123.8175.8-174.3-176.7-100110.2I135 F136 L158 L189 R190 P193I135-Q156 CarbonylContact O-C 3.58Å; I135-Q156 WeakPolarHBondContact O-CA 3.49Å; I135-Q156 WeakPolarHBondContact O-CG 3.44Å; F136-Q156 HydrophobicContact CD1-CB 3.76Å; F136-Q156 HydrophobicContact CD1-CG 4.04Å; F136-Q156 HydrophobicContact CE1-CB 3.54Å; F136-Q156 HydrophobicContact CE1-CG 3.59Å; F136-Q156 HydrophobicContact CZ-CB 4.33Å; F136-Q156 HydrophobicContact CZ-CG 3.86Å; Q156-L158 HydrophobicContact CG-CD2 4.08Å; Q156-L189 CarbonylContact O-C 3.52Å; Q156-L189 VanDerWaalsContact O-CA 3.31Å; Q156-L189 WeakPolarHBondContact O-CA 3.38Å; Q156-R190 HydrophobicContact CB-CB 4.26Å; Q156-R190 PolarHBondContact N-O 3.29Å; Q156-R190 PolarHBondContact O-N 2.72Å; Q156-P193 HydrophobicContact CB-CG 4.01Å
157V97Very high94.3Very high1 Ų132.6 Ų32.61%0.00620%0.196CC..EExtended strand (participates in β ladder)trans-83.1122.6171.9-168.90000109.1L128 I135 V137 I160 V165 L189L128-V157 HydrophobicContact CD1-CG2 4.46Å; L128-V157 HydrophobicContact CD2-CG2 3.63Å; I135-V157 HydrophobicContact CB-CB 4.31Å; I135-V157 HydrophobicContact CG2-CB 4.02Å; I135-V157 HydrophobicContact CG2-CG2 4.2Å; I135-V157 PolarHBondContact O-N 2.81Å; V137-V157 HydrophobicContact CG2-CG2 4.2Å; V157-I160 HydrophobicContact CG1-CD1 4.18Å; V157-I160 HydrophobicContact CG1-CG1 3.66Å; V157-V165 HydrophobicContact CB-CG2 4.14Å; V157-V165 HydrophobicContact CG1-CG2 3.84Å; V157-V165 WeakPolarHBondContact O-CG2 3.19Å; V157-L189 HydrophobicContact CB-CD2 4.25Å; V157-L189 HydrophobicContact CG1-CD2 4.35Å; V157-L189 HydrophobicContact CG2-CD2 3.8Å
158L95.6Very high94.3Very high13 Ų1333.3 Ų33.37%0.06820%0.2CC..EExtended strand (participates in β ladder)trans-95.6-48174.9-55.5-176.8000110.6V111 Q156 V165 V188 R190V111-L158 HydrophobicContact CG1-CD1 3.91Å; V111-L158 HydrophobicContact CG2-CD1 3.98Å; Q156-L158 HydrophobicContact CG-CD2 4.08Å; L158-V165 WeakPolarHBondContact O-CG2 3.45Å; L158-V165 PolarHBondContact O-N 2.92Å; L158-V188 HydrophobicContact CB-CB 4.5Å; L158-V188 HydrophobicContact CB-CG1 4.38Å; L158-V188 HydrophobicContact CD1-CG1 4.42Å; L158-V188 PolarHBondContact N-O 2.89Å; L158-R190 HydrophobicContact CD1-CB 4.26Å; L158-R190 HydrophobicContact CG-CB 4.44Å
159E95.9Very high94.4Very high7 Ų730.2 Ų30.23%0.03319%0.188CC..EExtended strand (participates in β ladder)trans-135.9146.9-178.8-49.3-168.4149.700111.9K11 I163 L164 L187 V188K11-E159 WeakPolarHBondContact CE-OE1 3.34Å; K11-E159 WeakPolarHBondContact CE-OE2 3.49Å; K11-E159 IonicContact NZ-OE1 3.21Å; K11-E159 PolarHBondContact NZ-OE1 3.23Å; K11-E159 IonicContact NZ-OE2 3.64Å; K11-E159 PolarHBondContact NZ-OE2 2.87Å; E159-I163 CarbonylContact C-O 3.54Å; E159-I163 VanDerWaalsContact CA-O 3.23Å; E159-I163 WeakPolarHBondContact CA-O 3.44Å; E159-L164 HydrophobicContact CG-CD1 4.11Å; E159-L187 WeakPolarHBondContact O-CA 3.42Å; E159-V188 HydrophobicContact CB-CB 3.98Å; E159-V188 HydrophobicContact CB-CG2 3.98Å; E159-V188 HydrophobicContact CG-CB 4.28Å; E159-V188 HydrophobicContact CG-CG2 4.4Å; E159-V188 PolarHBondContact N-O 2.8Å; E159-V188 PolarHBondContact O-N 2.79Å
160I96.3Very high94.5Very high0 Ų029.6 Ų29.60%018%0.181CC..EExtended strand (participates in β ladder)trans-126.3116171.3-53.7-177.8000107.4L128 V157 D162 I163 V165 I176 L177 R186 L187L128-I160 HydrophobicContact CD1-CD1 3.96Å; V157-I160 HydrophobicContact CG1-CD1 4.18Å; V157-I160 HydrophobicContact CG1-CG1 3.66Å; I160-D162 VanDerWaalsContact C-N 3.35Å; I160-D162 PolarHBondContact O-N 2.71Å; I160-I163 PolarHBondContact N-O 3.41Å; I160-I163 VanDerWaalsContact O-CB 3.32Å; I160-I163 WeakPolarHBondContact O-CB 3.38Å; I160-I163 PolarHBondContact O-N 3.05Å; I160-V165 HydrophobicContact CB-CG1 4.25Å; I160-V165 HydrophobicContact CD1-CG1 3.85Å; I160-V165 HydrophobicContact CG1-CG1 3.75Å; I160-V165 HydrophobicContact CG1-CG2 4.49Å; I160-I176 HydrophobicContact CB-CG2 4.1Å; I160-I176 HydrophobicContact CG2-CG2 3.81Å; I160-L177 HydrophobicContact CG2-CD1 4.39Å; I160-R186 WeakPolarHBondContact CA-O 3.21Å; I160-L187 HydrophobicContact CB-CD2 4.17Å; I160-L187 HydrophobicContact CD1-CD2 4.47Å; I160-L187 HydrophobicContact CG1-CD2 3.82Å; I160-L187 HydrophobicContact CG2-CD2 3.86Å
161N94.2Very high94.6Very high44 Ų4433.1 Ų33.124%0.23520%0.199CC..THydrogen-bonded Turntrans47.653.8-176.7-68.9-11.7000112.8I163 S180 I185 R186N161-I163 PolarHBondContact O-N 2.92Å; N161-I163 VanDerWaalsContact O-N 3.08Å; N161-S180 WeakPolarHBondContact ND2-CB 3.29Å; N161-S180 PolarHBondContact ND2-OG 2.83Å; N161-I185 WeakPolarHBondContact OD1-CA 3.44Å; N161-R186 PolarHBondContact N-O 2.9Å; N161-R186 PolarHBondContact OD1-N 3.18Å
162D91.9Very high94.7Very high94 Ų9440.1 Ų40.150%0.50323%0.226SC..THydrogen-bonded Turntrans634.7-177.2-52.3-62.5000115.8I160 R186I160-D162 VanDerWaalsContact C-N 3.35Å; I160-D162 PolarHBondContact O-N 2.71Å; D162-R186 IonicContact OD1-CZ 3.11Å; D162-R186 IonicContact OD1-NH1 2.97Å; D162-R186 PolarHBondContact OD1-NH1 2.64Å; D162-R186 IonicContact OD1-NH2 2.69Å; D162-R186 PolarHBondContact OD1-NH2 2.8Å; D162-R186 IonicContact OD2-CZ 2.64Å; D162-R186 IonicContact OD2-NH1 2.7Å; D162-R186 PolarHBondContact OD2-NH1 3.18Å; D162-R186 IonicContact OD2-NH2 3.9Å
163I94.3Very high94.7Very high86 Ų8638.8 Ų38.844%0.44122%0.221SC..EExtended strand (participates in β ladder)trans-91.1117.2172.3-55.1171.7000109.2E159 I160 N161 V165 I176E159-I163 CarbonylContact C-O 3.54Å; E159-I163 VanDerWaalsContact CA-O 3.23Å; E159-I163 WeakPolarHBondContact CA-O 3.44Å; I160-I163 PolarHBondContact N-O 3.41Å; I160-I163 VanDerWaalsContact O-CB 3.32Å; I160-I163 WeakPolarHBondContact O-CB 3.38Å; I160-I163 PolarHBondContact O-N 3.05Å; N161-I163 PolarHBondContact O-N 2.92Å; N161-I163 VanDerWaalsContact O-N 3.08Å; I163-V165 PolarHBondContact O-N 3.2Å; I163-I176 HydrophobicContact CD1-CG2 4.19Å; I163-I176 HydrophobicContact CG2-CD1 4.41Å
164L95.3Very high94.7Very high92 Ų9240.5 Ų40.548%0.48223%0.229SC..EExtended strand (participates in β ladder)trans-63.1123.3171.3-172.577.1000110.5E159E159-L164 HydrophobicContact CG-CD1 4.11Å
165V95.4Very high94.8Very high0 Ų045.6 Ų45.60%025%0.253CS..  trans-100.20.5-178.6-630000114.3I135 V157 L158 I160 I163 G167 C168 I176I135-V165 HydrophobicContact CB-CG2 4.02Å; I135-V165 HydrophobicContact CG1-CB 4.06Å; I135-V165 HydrophobicContact CG1-CG2 3.89Å; I135-V165 WeakPolarHBondContact CG1-O 3.44Å; V157-V165 HydrophobicContact CB-CG2 4.14Å; V157-V165 HydrophobicContact CG1-CG2 3.84Å; V157-V165 WeakPolarHBondContact O-CG2 3.19Å; L158-V165 WeakPolarHBondContact O-CG2 3.45Å; L158-V165 PolarHBondContact O-N 2.92Å; I160-V165 HydrophobicContact CB-CG1 4.25Å; I160-V165 HydrophobicContact CD1-CG1 3.85Å; I160-V165 HydrophobicContact CG1-CG1 3.75Å; I160-V165 HydrophobicContact CG1-CG2 4.49Å; I163-V165 PolarHBondContact O-N 3.2Å; V165-G167 PolarHBondContact O-N 2.86Å; V165-C168 HydrophobicContact CB-CB 4.44Å; V165-C168 VanDerWaalsContact O-CB 3.25Å; V165-C168 WeakPolarHBondContact O-CB 3.25Å; V165-C168 PolarHBondContact O-N 2.85Å; V165-I176 HydrophobicContact CG1-CD1 4.46Å
166T92.3Very high94.7Very high77 Ų7746.7 Ų46.747%0.47226%0.258SS..THydrogen-bonded Turntrans-55.7125.3171.2-55.40000110.7C168T166-C168 VanDerWaalsContact C-N 3.28Å; T166-C168 PolarHBondContact O-N 3.17Å
167G93.2Very high94.6Very high51 Ų5146 Ų4653%0.52626%0.255SS..THydrogen-bonded Turntrans79.3-1.9-176.500000115.5K133 V165K133-G167 PolarHBondContact O-N 2.91Å; V165-G167 PolarHBondContact O-N 2.86Å
168C93.5Very high94.5Very high19 Ų1952.9 Ų52.913%0.12829%0.285CS..  trans-71.6157.3167.9-70.50000111I135 V165 T166 R172I135-C168 WeakPolarHBondContact CD1-O 3.22Å; V165-C168 HydrophobicContact CB-CB 4.44Å; V165-C168 VanDerWaalsContact O-CB 3.25Å; V165-C168 WeakPolarHBondContact O-CB 3.25Å; V165-C168 PolarHBondContact O-N 2.85Å; T166-C168 VanDerWaalsContact C-N 3.28Å; T166-C168 PolarHBondContact O-N 3.17Å; C168-R172 HydrophobicContact CB-CB 4.5Å
169S94.8Very high94.4Very high49 Ų4957 Ų5734%0.34332%0.315SS..  trans-77.6151.8166.369.80000110.8E130 T171 R172 S173E130-S169 WeakPolarHBondContact OE2-CA 3.45Å; S169-T171 PolarHBondContact O-N 3Å; S169-R172 PolarHBondContact O-N 3.49Å; S169-R172 WeakPolarHBondContact OG-CB 3.27Å; S169-R172 PolarHBondContact OG-N 3.19Å; S169-S173 PolarHBondContact O-N 3.15Å; S169-S173 PolarHBondContact O-OG 3.25Å
170G92.9Very high94.2Very high12 Ų1257.3 Ų57.312%0.12432%0.318CS..Hα-helixtrans-56.2-35.3177.100000112.8S173 M174G170-S173 PolarHBondContact O-N 2.8Å; G170-M174 VanDerWaalsContact O-CG 3.32Å; G170-M174 WeakPolarHBondContact O-CG 3.39Å; G170-M174 PolarHBondContact O-N 2.93Å
171T94.5Very high94Very high95 Ų9561.3 Ų61.358%0.58334%0.343SS*.Hα-helixtrans-62.5-48.2173.8-44.60000111.7S169 S173 M174 E175S169-T171 PolarHBondContact O-N 3Å; T171-S173 PolarHBondContact O-N 3.37Å; T171-M174 CarbonylContact O-C 3.59Å; T171-M174 WeakPolarHBondContact O-CB 3.14Å; T171-M174 PolarHBondContact O-N 2.82Å; T171-M174 VanDerWaalsContact O-N 3.16Å; T171-E175 WeakPolarHBondContact O-CG 3.4Å; T171-E175 PolarHBondContact O-N 3.35Å
172R95.2Very high93.8Very high146 Ų14663.2 Ų63.255%0.55136%0.357SS*.Hα-helixtrans-62.1-41178.5-175.7-179.9178.597.5-2111.9C168 S169 M174 E175 I176C168-R172 HydrophobicContact CB-CB 4.5Å; S169-R172 PolarHBondContact O-N 3.49Å; S169-R172 WeakPolarHBondContact OG-CB 3.27Å; S169-R172 PolarHBondContact OG-N 3.19Å; R172-M174 VanDerWaalsContact C-N 3.34Å; R172-M174 PolarHBondContact O-N 3.37Å; R172-E175 WeakPolarHBondContact O-CB 3.44Å; R172-E175 PolarHBondContact O-N 3.02Å; R172-I176 HydrophobicContact CG-CD1 4.29Å; R172-I176 WeakPolarHBondContact O-CG1 3.45Å; R172-I176 PolarHBondContact O-N 2.85Å
173S95.5Very high93.8Very high0 Ų063.5 Ų63.50%036%0.359CS..Hα-helixtrans-64.4-38.1175.3-56.80000112.3I135 S169 G170 T171 L177I135-S173 WeakPolarHBondContact CD1-OG 3.3Å; I135-S173 WeakPolarHBondContact CG1-OG 3.2Å; S169-S173 PolarHBondContact O-N 3.15Å; S169-S173 PolarHBondContact O-OG 3.25Å; G170-S173 PolarHBondContact O-N 2.8Å; T171-S173 PolarHBondContact O-N 3.37Å; S173-L177 PolarHBondContact O-N 2.93Å; S173-L177 VanDerWaalsContact O-N 3.13Å
174M95.2Very high93.7Very high39 Ų3965 Ų6519%0.19237%0.368CS..Hα-helixtrans-68.8-33.1172.7-72.4-60.5-6200112.9I126 L128 G170 T171 R172 L177 K178I126-M174 WeakPolarHBondContact O-CE 3.42Å; L128-M174 HydrophobicContact CB-CG 4.1Å; L128-M174 HydrophobicContact CB-SD 3.75Å; L128-M174 HydrophobicContact CD1-SD 4.18Å; L128-M174 HydrophobicContact CG-SD 3.72Å; L128-M174 PolarHBondContact N-SD 3.46Å; L128-M174 VanDerWaalsContact N-SD 3.36Å; G170-M174 VanDerWaalsContact O-CG 3.32Å; G170-M174 WeakPolarHBondContact O-CG 3.39Å; G170-M174 PolarHBondContact O-N 2.93Å; T171-M174 CarbonylContact O-C 3.59Å; T171-M174 WeakPolarHBondContact O-CB 3.14Å; T171-M174 PolarHBondContact O-N 2.82Å; T171-M174 VanDerWaalsContact O-N 3.16Å; R172-M174 VanDerWaalsContact C-N 3.34Å; R172-M174 PolarHBondContact O-N 3.37Å; M174-L177 HydrophobicContact SD-CD2 4.45Å; M174-K178 WeakPolarHBondContact O-CB 3.09Å; M174-K178 WeakPolarHBondContact O-CD 3.5Å; M174-K178 WeakPolarHBondContact O-CG 3.44Å; M174-K178 PolarHBondContact O-N 3.29Å
175E95.4Very high93.7Very high108 Ų10860.7 Ų60.751%0.50535%0.345SS..Hα-helixtrans-65.8-47.3173.7-74.4162.7-176.300111.5T171 R172 L177 K178 S179T171-E175 WeakPolarHBondContact O-CG 3.4Å; T171-E175 PolarHBondContact O-N 3.35Å; R172-E175 WeakPolarHBondContact O-CB 3.44Å; R172-E175 PolarHBondContact O-N 3.02Å; E175-L177 VanDerWaalsContact C-N 3.31Å; E175-L177 PolarHBondContact O-N 3.23Å; E175-K178 CarbonylContact O-C 3.55Å; E175-K178 WeakPolarHBondContact O-CB 3.41Å; E175-K178 PolarHBondContact O-N 2.99Å; E175-K178 VanDerWaalsContact O-N 3.11Å; E175-S179 PolarHBondContact O-N 3.11Å; E175-S179 PolarHBondContact O-OG 3.34Å
176I94.6Very high93.7Very high23 Ų2364.4 Ų64.412%0.11836%0.359CS..Hα-helixtrans-56.6-46.2175-65.8163.7000110.5I160 I163 V165 R172 K178 S179 S180I160-I176 HydrophobicContact CB-CG2 4.1Å; I160-I176 HydrophobicContact CG2-CG2 3.81Å; I163-I176 HydrophobicContact CD1-CG2 4.19Å; I163-I176 HydrophobicContact CG2-CD1 4.41Å; V165-I176 HydrophobicContact CG1-CD1 4.46Å; R172-I176 HydrophobicContact CG-CD1 4.29Å; R172-I176 WeakPolarHBondContact O-CG1 3.45Å; R172-I176 PolarHBondContact O-N 2.85Å; I176-K178 VanDerWaalsContact C-N 3.33Å; I176-K178 PolarHBondContact O-N 2.75Å; I176-S179 WeakPolarHBondContact CA-OG 3.36Å; I176-S179 PolarHBondContact O-N 3.44Å; I176-S179 PolarHBondContact O-OG 2.99Å; I176-S180 PolarHBondContact O-N 2.82Å; I176-S180 PolarHBondContact O-OG 2.95Å
177L94Very high93.9Very high9 Ų960.8 Ų60.85%0.04734%0.337CS..Hα-helixtrans-63.5-37.7177.8-170.370.6000112.4V124 I126 I160 S173 M174 E175 I185 L187V124-L177 HydrophobicContact CB-CD2 4.46Å; V124-L177 HydrophobicContact CG2-CD1 4.31Å; V124-L177 HydrophobicContact CG2-CG 4.39Å; I126-L177 HydrophobicContact CD1-CD2 3.74Å; I126-L177 HydrophobicContact CG1-CD2 3.63Å; I160-L177 HydrophobicContact CG2-CD1 4.39Å; S173-L177 PolarHBondContact O-N 2.93Å; S173-L177 VanDerWaalsContact O-N 3.13Å; M174-L177 HydrophobicContact SD-CD2 4.45Å; E175-L177 VanDerWaalsContact C-N 3.31Å; E175-L177 PolarHBondContact O-N 3.23Å; L177-I185 HydrophobicContact CD1-CG2 3.75Å; L177-L187 HydrophobicContact CD1-CD2 4.2Å
178K93.6Very high94Very high147 Ų14758.7 Ų58.764%0.63931%0.314SS*.Hα-helixtrans-69.4-40.2175-74.8168.4-177179.50112.2K118 M174 E175 I176 S180K118-K178 PolarHBondContact NZ-O 3.5Å; M174-K178 WeakPolarHBondContact O-CB 3.09Å; M174-K178 WeakPolarHBondContact O-CD 3.5Å; M174-K178 WeakPolarHBondContact O-CG 3.44Å; M174-K178 PolarHBondContact O-N 3.29Å; E175-K178 CarbonylContact O-C 3.55Å; E175-K178 WeakPolarHBondContact O-CB 3.41Å; E175-K178 PolarHBondContact O-N 2.99Å; E175-K178 VanDerWaalsContact O-N 3.11Å; I176-K178 VanDerWaalsContact C-N 3.33Å; I176-K178 PolarHBondContact O-N 2.75Å; K178-S180 VanDerWaalsContact C-N 3.31Å; K178-S180 PolarHBondContact O-N 3.28Å
179S93.5Very high94.1Very high99 Ų9957.8 Ų57.869%0.69231%0.308SS*.Hα-helixtrans-76-15.9179.666.70000114.1E175 I176E175-S179 PolarHBondContact O-N 3.11Å; E175-S179 PolarHBondContact O-OG 3.34Å; I176-S179 WeakPolarHBondContact CA-OG 3.36Å; I176-S179 PolarHBondContact O-N 3.44Å; I176-S179 PolarHBondContact O-OG 2.99Å
180S92.5Very high94.1Very high14 Ų1460.1 Ų60.110%0.09831%0.309CS..SBendtrans-59.1157.4178-65.60000113.2K118 N161 I176 K178K118-S180 WeakPolarHBondContact CE-O 3.29Å; K118-S180 PolarHBondContact NZ-O 3.18Å; N161-S180 WeakPolarHBondContact ND2-CB 3.29Å; N161-S180 PolarHBondContact ND2-OG 2.83Å; I176-S180 PolarHBondContact O-N 2.82Å; I176-S180 PolarHBondContact O-OG 2.95Å; K178-S180 VanDerWaalsContact C-N 3.31Å; K178-S180 PolarHBondContact O-N 3.28Å
181T92.2Very high94.1Very high84 Ų8461 Ų6152%0.51531%0.311SS..  trans-54.6153172.743.90000112.1N183 I185T181-N183 VanDerWaalsContact C-N 3.25Å; T181-N183 WeakPolarHBondContact CB-O 3.34Å; T181-N183 PolarHBondContact O-N 3.15Å; T181-N183 PolarHBondContact OG1-O 2.79Å; T181-I185 WeakPolarHBondContact O-CD1 3.38Å; T181-I185 VanDerWaalsContact O-CG1 3.31Å; T181-I185 WeakPolarHBondContact O-CG1 3.09Å
182P90.6Very high93.9Very high84 Ų8457.4 Ų57.455%0.54529%0.287SS..SBendtrans-60.5-33.5175-25.435.6000113.9C117 K118C117-P182 CarbonylContact C-O 3.59Å; C117-P182 WeakPolarHBondContact CA-O 3.21Å; K118-P182 PolarHBondContact N-O 2.71Å
183N91.4Very high93.8Very high99 Ų9952.7 Ų52.753%0.52928%0.275SS..SBendtrans-115.2159.5-179.9-63.2-26.8000110.9T181 I185T181-N183 VanDerWaalsContact C-N 3.25Å; T181-N183 WeakPolarHBondContact CB-O 3.34Å; T181-N183 PolarHBondContact O-N 3.15Å; T181-N183 PolarHBondContact OG1-O 2.79Å; N183-I185 PolarHBondContact O-N 2.96Å
184N92.7Very high93.7Very high119 Ų11956.8 Ų56.864%0.63629%0.293SS*.  trans6038.6174.4-57.8-42.8000115.2T115 L116 R186T115-N184 HydrophobicContact CG2-CB 4.41Å; L116-N184 PolarHBondContact O-N 3.27Å; N184-R186 PolarHBondContact O-N 2.89Å
185I95.4Very high93.6Very high0 Ų056 Ų560%029%0.289CS..EExtended strand (participates in β ladder)trans-71.8108.7171.6-57.1177.3000108.3T115 L116 K118 V124 N161 L177 T181 N183 L187T115-I185 CarbonylContact C-O 3.53Å; T115-I185 WeakPolarHBondContact CA-O 3.32Å; L116-I185 HydrophobicContact CB-CB 4.34Å; L116-I185 PolarHBondContact N-O 3.01Å; L116-I185 PolarHBondContact O-N 2.92Å; K118-I185 HydrophobicContact CD-CD1 4.41Å; K118-I185 HydrophobicContact CG-CD1 3.83Å; V124-I185 HydrophobicContact CG2-CD1 3.59Å; N161-I185 WeakPolarHBondContact OD1-CA 3.44Å; L177-I185 HydrophobicContact CD1-CG2 3.75Å; T181-I185 WeakPolarHBondContact O-CD1 3.38Å; T181-I185 VanDerWaalsContact O-CG1 3.31Å; T181-I185 WeakPolarHBondContact O-CG1 3.09Å; N183-I185 PolarHBondContact O-N 2.96Å; I185-L187 HydrophobicContact CG2-CD2 4.21Å
186R95.3Very high93.5Very high78 Ų7857.8 Ų57.829%0.29429%0.291SS..EExtended strand (participates in β ladder)trans-89.4116.7179.9-77.6175.156.3-130.8-15.8110.2L113 I160 N161 D162 N184L113-R186 HydrophobicContact CD1-CB 3.9Å; L113-R186 HydrophobicContact CD1-CG 4.09Å; I160-R186 WeakPolarHBondContact CA-O 3.21Å; N161-R186 PolarHBondContact N-O 2.9Å; N161-R186 PolarHBondContact OD1-N 3.18Å; D162-R186 IonicContact OD1-CZ 3.11Å; D162-R186 IonicContact OD1-NH1 2.97Å; D162-R186 PolarHBondContact OD1-NH1 2.64Å; D162-R186 IonicContact OD1-NH2 2.69Å; D162-R186 PolarHBondContact OD1-NH2 2.8Å; D162-R186 IonicContact OD2-CZ 2.64Å; D162-R186 IonicContact OD2-NH1 2.7Å; D162-R186 PolarHBondContact OD2-NH1 3.18Å; D162-R186 IonicContact OD2-NH2 3.9Å; N184-R186 PolarHBondContact O-N 2.89Å
187L96.5Very high93.5Very high1 Ų158.3 Ų58.31%0.00530%0.295CS..EExtended strand (participates in β ladder)trans-108.8124.6171-58.9-173000109.4V114 L116 I126 E159 I160 L177 I185 L189V114-L187 PolarHBondContact N-O 3.31Å; V114-L187 PolarHBondContact O-N 2.97Å; L116-L187 HydrophobicContact CD1-CD1 3.54Å; L116-L187 HydrophobicContact CD1-CG 4.2Å; I126-L187 HydrophobicContact CD1-CD1 4.01Å; E159-L187 WeakPolarHBondContact O-CA 3.42Å; I160-L187 HydrophobicContact CB-CD2 4.17Å; I160-L187 HydrophobicContact CD1-CD2 4.47Å; I160-L187 HydrophobicContact CG1-CD2 3.82Å; I160-L187 HydrophobicContact CG2-CD2 3.86Å; L177-L187 HydrophobicContact CD1-CD2 4.2Å; I185-L187 HydrophobicContact CG2-CD2 4.21Å; L187-L189 HydrophobicContact CB-CD2 4.02Å; L187-L189 HydrophobicContact CB-CG 4.2Å; L187-L189 HydrophobicContact CD1-CD2 4.49Å
188V95.6Very high93.5Very high7 Ų758.3 Ų58.34%0.04230%0.295CS..EExtended strand (participates in β ladder)trans-94112.8167.4-175.90000107.6L7 L10 V111 L113 L158 E159L7-V188 HydrophobicContact CD1-CG1 3.69Å; L10-V188 HydrophobicContact CD2-CG1 4.21Å; V111-V188 HydrophobicContact CG1-CG1 3.37Å; L113-V188 HydrophobicContact CD1-CG2 4.1Å; L158-V188 HydrophobicContact CB-CB 4.5Å; L158-V188 HydrophobicContact CB-CG1 4.38Å; L158-V188 HydrophobicContact CD1-CG1 4.42Å; L158-V188 PolarHBondContact N-O 2.89Å; E159-V188 HydrophobicContact CB-CB 3.98Å; E159-V188 HydrophobicContact CB-CG2 3.98Å; E159-V188 HydrophobicContact CG-CB 4.28Å; E159-V188 HydrophobicContact CG-CG2 4.4Å; E159-V188 PolarHBondContact N-O 2.8Å; E159-V188 PolarHBondContact O-N 2.79Å
189L95.3Very high93.6Very high0 Ų053.8 Ų53.80%028%0.28CS..EExtended strand (participates in β ladder)trans-109.3143.2-175.5-57.5-177.5000110.4V111 R112 V114 V151 Q156 V157 L187V111-L189 CarbonylContact C-O 3.57Å; V111-L189 VanDerWaalsContact CA-O 3.25Å; V111-L189 WeakPolarHBondContact CA-O 3.2Å; R112-L189 HydrophobicContact CG-CB 4.48Å; R112-L189 PolarHBondContact N-O 2.87Å; R112-L189 PolarHBondContact O-N 3.48Å; V114-L189 HydrophobicContact CB-CD1 4.39Å; V114-L189 HydrophobicContact CG2-CD1 3.85Å; V114-L189 HydrophobicContact CG2-CG 4.44Å; V151-L189 HydrophobicContact CB-CD1 4.5Å; V151-L189 HydrophobicContact CG1-CD1 4.19Å; V151-L189 HydrophobicContact CG2-CD1 4Å; Q156-L189 CarbonylContact O-C 3.52Å; Q156-L189 VanDerWaalsContact O-CA 3.31Å; Q156-L189 WeakPolarHBondContact O-CA 3.38Å; V157-L189 HydrophobicContact CB-CD2 4.25Å; V157-L189 HydrophobicContact CG1-CD2 4.35Å; V157-L189 HydrophobicContact CG2-CD2 3.8Å; L187-L189 HydrophobicContact CB-CD2 4.02Å; L187-L189 HydrophobicContact CB-CG 4.2Å; L187-L189 HydrophobicContact CD1-CD2 4.49Å
190R94.3Very high93.7Very high98 Ų9849.1 Ų49.137%0.3725%0.247SC..EExtended strand (participates in β ladder)trans-102.8125158.7172-176.6-67.2170.4-3.7108G110 V111 Q156 L158 R192 P193G110-R190 WeakPolarHBondContact O-CA 3.43Å; V111-R190 HydrophobicContact CG2-CB 4.36Å; Q156-R190 HydrophobicContact CB-CB 4.26Å; Q156-R190 PolarHBondContact N-O 3.29Å; Q156-R190 PolarHBondContact O-N 2.72Å; L158-R190 HydrophobicContact CD1-CB 4.26Å; L158-R190 HydrophobicContact CG-CB 4.44Å; R190-R192 PolarHBondContact O-N 3.21Å; R190-P193 HydrophobicContact CG-CB 4.35Å
191D92Very high93.9Very high31 Ų3152.9 Ų52.917%0.16626%0.263CS..  trans-70.5120.7-173.7-69.2-25.7000111.4G110 R112 P193G110-D191 PolarHBondContact O-N 3.36Å; G110-D191 VanDerWaalsContact O-N 3.15Å; R112-D191 IonicContact CZ-OD1 2.72Å; R112-D191 IonicContact CZ-OD2 3.93Å; R112-D191 VanDerWaalsContact NE-CG 3.29Å; R112-D191 IonicContact NE-OD1 3.02Å; R112-D191 PolarHBondContact NE-OD1 2.98Å; R112-D191 IonicContact NE-OD2 2.65Å; R112-D191 PolarHBondContact NE-OD2 2.8Å; R112-D191 VanDerWaalsContact NE-OD2 3.12Å; R112-D191 IonicContact NH2-OD1 2.71Å; R112-D191 PolarHBondContact NH2-OD1 2.84Å; D191-P193 VanDerWaalsContact O-N 3.09Å
192R91.5Very high94Very high20 Ų2051.1 Ų51.18%0.07525%0.248CC..  trans39.353.8160.8-59.2-176.1-75.2164-3.3115.9I107 D155 R190 F194 E195 E239I107-R192 HydrophobicContact CD1-CB 3.98Å; I107-R192 HydrophobicContact CG1-CB 4.42Å; I107-R192 VanDerWaalsContact CG1-CZ 3.49Å; I107-R192 HydrophobicContact CG2-CB 4.02Å; D155-R192 VanDerWaalsContact OD1-CG 3.24Å; D155-R192 WeakPolarHBondContact OD1-CG 3.41Å; D155-R192 PolarHBondContact OD1-N 2.64Å; R190-R192 PolarHBondContact O-N 3.21Å; R192-F194 VanDerWaalsContact C-N 3.25Å; R192-F194 PolarHBondContact O-N 2.75Å; R192-E195 HydrophobicContact CB-CB 4.09Å; R192-E195 HydrophobicContact CB-CG 4.02Å; R192-E195 VanDerWaalsContact CD-OE2 3.29Å; R192-E195 WeakPolarHBondContact CD-OE2 3.39Å; R192-E195 PolarHBondContact O-N 2.66Å; R192-E195 VanDerWaalsContact O-N 3.15Å; R192-E239 IonicContact CZ-OE2 3.36Å; R192-E239 IonicContact NH1-OE1 3.21Å; R192-E239 PolarHBondContact NH1-OE1 2.96Å; R192-E239 VanDerWaalsContact NH1-OE1 3.11Å; R192-E239 IonicContact NH1-OE2 3.92Å; R192-E239 PolarHBondContact NH1-OE2 3.09Å
193P92.4Very high94.1Very high47 Ų4750.8 Ų50.831%0.30524%0.242SC..THydrogen-bonded Turntrans-70.3-9-165.328.2-37.4000116.3F136 Q156 R190 D191F136-P193 HydrophobicContact CE1-CG 4Å; Q156-P193 HydrophobicContact CB-CG 4.01Å; R190-P193 HydrophobicContact CG-CB 4.35Å; D191-P193 VanDerWaalsContact O-N 3.09Å
194F93.7Very high94.1Very high85 Ų8552.1 Ų52.137%0.37326%0.259SS..THydrogen-bonded Turntrans-112.97.6178.4-65.7-71.8000113.4F136 R192 I269 P270 F273F136-F194 HydrophobicContact CE1-CD2 4.05Å; F136-F194 AromaticContact CE1-CE2 3.67Å; F136-F194 HydrophobicContact CE1-CE2 3.67Å; F136-F194 HydrophobicContact CZ-CD2 4.47Å; F136-F194 AromaticContact CZ-CE2 3.67Å; F136-F194 HydrophobicContact CZ-CE2 3.67Å; R192-F194 VanDerWaalsContact C-N 3.25Å; R192-F194 PolarHBondContact O-N 2.75Å; F194-I269 HydrophobicContact CB-CG1 4.44Å; F194-P270 WeakPolarHBondContact O-CD 3.49Å; F194-F273 HydrophobicContact CB-CD1 4.13Å; F194-F273 HydrophobicContact CB-CE1 4.16Å; F194-F273 HydrophobicContact CB-CG 4.43Å; F194-F273 HydrophobicContact CD2-CD1 4.34Å; F194-F273 AromaticContact CD2-CD2 3.99Å; F194-F273 HydrophobicContact CD2-CD2 3.99Å; F194-F273 AromaticContact CD2-CE1 3.81Å; F194-F273 HydrophobicContact CD2-CE1 3.81Å; F194-F273 AromaticContact CD2-CE2 3.45Å; F194-F273 HydrophobicContact CD2-CE2 3.45Å; F194-F273 VanDerWaalsContact CD2-CE2 3.45Å; F194-F273 HydrophobicContact CD2-CG 4.41Å; F194-F273 AromaticContact CD2-CZ 3.35Å; F194-F273 HydrophobicContact CD2-CZ 3.35Å; F194-F273 HydrophobicContact CE2-CD2 4.28Å; F194-F273 AromaticContact CE2-CE2 3.6Å; F194-F273 HydrophobicContact CE2-CE2 3.6Å; F194-F273 AromaticContact CE2-CZ 3.85Å; F194-F273 HydrophobicContact CE2-CZ 3.85Å; F194-F273 HydrophobicContact CG-CD1 4.46Å; F194-F273 HydrophobicContact CG-CD2 4.32Å; F194-F273 HydrophobicContact CG-CE1 4.32Å; F194-F273 HydrophobicContact CG-CE2 4.22Å; F194-F273 HydrophobicContact CG-CG 4.45Å; F194-F273 HydrophobicContact CG-CZ 4.22Å; F194-F273 HydrophobicContact CZ-CE2 4.47Å
195E93.6Very high94.1Very high22 Ų2253.8 Ų53.810%0.10327%0.267CS..  trans-101.1157.2-174.5-62.6-176.1-158.400111.6I107 R192 I238 T267 I268 I269I107-E195 HydrophobicContact CD1-CB 3.52Å; R192-E195 HydrophobicContact CB-CB 4.09Å; R192-E195 HydrophobicContact CB-CG 4.02Å; R192-E195 VanDerWaalsContact CD-OE2 3.29Å; R192-E195 WeakPolarHBondContact CD-OE2 3.39Å; R192-E195 PolarHBondContact O-N 2.66Å; R192-E195 VanDerWaalsContact O-N 3.15Å; E195-I238 HydrophobicContact CB-CD1 4.49Å; E195-I238 HydrophobicContact CG-CD1 3.65Å; E195-I238 WeakPolarHBondContact OE1-CD1 3.46Å; E195-I238 WeakPolarHBondContact OE2-CD1 3.19Å; E195-T267 HydrophobicContact CB-CG2 4.12Å; E195-T267 VanDerWaalsContact OE2-CG2 3.29Å; E195-T267 WeakPolarHBondContact OE2-CG2 3.5Å; E195-I268 WeakPolarHBondContact CA-O 3.28Å; E195-I269 HydrophobicContact CG-CB 4.19Å; E195-I269 HydrophobicContact CG-CD1 3.64Å; E195-I269 HydrophobicContact CG-CG1 3.92Å
196R93.3Very high93.9Very high146 Ų14655.2 Ų55.255%0.55128%0.281SS*.EExtended strand (participates in β ladder)trans-136.9122.8177.7-173.8179.6179119.3-0.7109.4I198 I268R196-I198 HydrophobicContact CG-CD1 4.36Å; R196-I198 HydrophobicContact CG-CG1 3.98Å; R196-I268 HydrophobicContact CB-CG1 4.13Å; R196-I268 PolarHBondContact N-O 3.42Å; R196-I268 WeakPolarHBondContact O-CG1 3.32Å; R196-I268 PolarHBondContact O-N 3.42Å
197V94.1Very high93.7Very high35 Ų3553.5 Ų53.521%0.21228%0.284CS..EExtended strand (participates in β ladder)trans-83.2132.6168.1-171.30000108.5I105 I107 K265 T267I105-V197 HydrophobicContact CG2-CG1 4.4Å; I107-V197 HydrophobicContact CB-CG2 4.05Å; I107-V197 HydrophobicContact CD1-CG2 3.66Å; I107-V197 HydrophobicContact CG1-CG2 3.55Å; V197-K265 HydrophobicContact CG1-CB 3.94Å; V197-K265 HydrophobicContact CG1-CD 4.27Å; V197-K265 HydrophobicContact CG1-CG 4.32Å; V197-T267 HydrophobicContact CG2-CG2 4.48Å
198I94.8Very high93.6Very high8 Ų853.9 Ų53.94%0.04129%0.286CS..EExtended strand (participates in β ladder)trans-129.5119.5174.6-55.7-179.7000108.3R196 V200 N229 I231 V266 I268R196-I198 HydrophobicContact CG-CD1 4.36Å; R196-I198 HydrophobicContact CG-CG1 3.98Å; I198-V200 HydrophobicContact CG2-CG1 4.2Å; I198-N229 HydrophobicContact CG2-CB 3.69Å; I198-N229 WeakPolarHBondContact CG2-O 3.34Å; I198-I231 HydrophobicContact CB-CG1 4.29Å; I198-I231 HydrophobicContact CD1-CB 4.43Å; I198-I231 HydrophobicContact CD1-CG1 3.94Å; I198-I231 HydrophobicContact CG2-CG1 3.83Å; I198-V266 PolarHBondContact N-O 2.86Å; I198-V266 PolarHBondContact O-N 2.88Å; I198-I268 HydrophobicContact CD1-CD1 3.65Å; I198-I268 HydrophobicContact CD1-CG1 4.25Å
199T95.4Very high93.6Very high53 Ų5354 Ų5433%0.32529%0.289SS..EExtended strand (participates in β ladder)trans-80128.3173.7-51.80000109.5N229 P263 M264T199-N229 WeakPolarHBondContact O-CB 3.48Å; T199-N229 PolarHBondContact O-ND2 3.2Å; T199-N229 PolarHBondContact O-OD1 2.96Å; T199-P263 HydrophobicContact CG2-CB 3.65Å; T199-M264 CarbonylContact C-O 3.59Å; T199-M264 WeakPolarHBondContact CA-O 3.35Å
200V95.9Very high93.7Very high0 Ų055.2 Ų55.20%030%0.295CS..EExtended strand (participates in β ladder)trans-132.3159.1177.6-70.60000111.1I198 I208 N229 I231 M264 V266I198-V200 HydrophobicContact CG2-CG1 4.2Å; V200-I208 HydrophobicContact CB-CB 4.46Å; V200-I208 HydrophobicContact CB-CG2 4.39Å; V200-I208 HydrophobicContact CG2-CB 4.17Å; V200-I208 HydrophobicContact CG2-CD1 3.87Å; V200-I208 HydrophobicContact CG2-CG2 3.87Å; V200-N229 HydrophobicContact CG1-CB 4.15Å; V200-I231 HydrophobicContact CG1-CD1 3.72Å; V200-I231 HydrophobicContact CG1-CG1 4.22Å; V200-M264 HydrophobicContact CG2-CB 4.17Å; V200-M264 HydrophobicContact CG2-CG 4.43Å; V200-M264 WeakPolarHBondContact CG2-O 3.39Å; V200-M264 HydrophobicContact CG2-SD 4.01Å; V200-M264 PolarHBondContact N-O 3.15Å; V200-M264 PolarHBondContact O-N 3.37Å; V200-V266 HydrophobicContact CG2-CG2 3.85Å
201H95.7Very high93.7Very high94 Ų9455.8 Ų55.844%0.43530%0.302SS..  trans-120.5140.4178.4-65.9-109.8000109S225H201-S225 PolarHBondContact N-OG 3.49Å; H201-S225 WeakPolarHBondContact O-CB 3.24Å; H201-S225 PolarHBondContact O-OG 3.17Å
202K94.3Very high93.9Very high47 Ų4755.3 Ų55.320%0.20430%0.3CS..  trans-69.2147.7170.7-66.3177165.5172.70110G206 A207 I208 M257 D258 S260 T262K202-G206 WeakPolarHBondContact CD-O 3.46Å; K202-G206 WeakPolarHBondContact CE-O 3.44Å; K202-G206 WeakPolarHBondContact CG-O 3.41Å; K202-A207 CarbonylContact C-O 3.58Å; K202-A207 WeakPolarHBondContact CA-O 3.41Å; K202-I208 HydrophobicContact CG-CG2 4.02Å; K202-M257 WeakPolarHBondContact CE-O 3.5Å; K202-M257 PolarHBondContact NZ-O 3.38Å; K202-D258 VanDerWaalsContact NZ-C 3.27Å; K202-D258 PolarHBondContact NZ-O 2.85Å; K202-S260 PolarHBondContact NZ-O 3.36Å; K202-T262 HydrophobicContact CB-CG2 3.62Å; K202-T262 HydrophobicContact CD-CG2 3.98Å; K202-T262 HydrophobicContact CG-CG2 3.62Å; K202-T262 VanDerWaalsContact N-CG2 3.27Å
203D93.6Very high94.1Very high76 Ų7662.4 Ų62.441%0.40633%0.327SS..  trans-80.2-175166.562.423000111.5L205 G206 A207D203-L205 PolarHBondContact O-N 3.16Å; D203-L205 WeakPolarHBondContact OD1-CA 3.38Å; D203-L205 WeakPolarHBondContact OD1-CB 3.35Å; D203-L205 PolarHBondContact OD1-N 3.03Å; D203-G206 PolarHBondContact O-N 3.13Å; D203-G206 PolarHBondContact OD1-N 3.17Å; D203-G206 VanDerWaalsContact OD1-N 3.1Å; D203-A207 PolarHBondContact N-O 3.43Å; D203-A207 PolarHBondContact OD1-N 3.49Å
204S91.7Very high94.2Very high128 Ų12866.6 Ų66.690%0.89535%0.346SS*.THydrogen-bonded Turntrans-65.9-12.3176.750.20000114.4
205L91.2Very high94.2Very high154 Ų15462.8 Ų62.881%0.80633%0.331SS*.THydrogen-bonded Turntrans-961174-55.7177.2000112D203 A207D203-L205 PolarHBondContact O-N 3.16Å; D203-L205 WeakPolarHBondContact OD1-CA 3.38Å; D203-L205 WeakPolarHBondContact OD1-CB 3.35Å; D203-L205 PolarHBondContact OD1-N 3.03Å; L205-A207 VanDerWaalsContact C-N 3.31Å
206G91Very high94.4Very high29 Ų2962.1 Ų62.130%0.29933%0.328SS..SBendtrans82.41.8-176.600000114.4K202 D203K202-G206 WeakPolarHBondContact CD-O 3.46Å; K202-G206 WeakPolarHBondContact CE-O 3.44Å; K202-G206 WeakPolarHBondContact CG-O 3.41Å; D203-G206 PolarHBondContact O-N 3.13Å; D203-G206 PolarHBondContact OD1-N 3.17Å; D203-G206 VanDerWaalsContact OD1-N 3.1Å
207A92.5Very high94.6Very high43 Ų4355.2 Ų55.236%0.35530%0.302SS..  trans-94.9148.1-174.300000112.4K202 D203 L205K202-A207 CarbonylContact C-O 3.58Å; K202-A207 WeakPolarHBondContact CA-O 3.41Å; D203-A207 PolarHBondContact N-O 3.43Å; D203-A207 PolarHBondContact OD1-N 3.49Å; L205-A207 VanDerWaalsContact C-N 3.31Å
208I94.8Very high94.7Very high9 Ų959 Ų595%0.04632%0.316CS..  trans-94.3-11.6170.767.2162000113.1V200 K202 I210 S224 A226 I231 M257 M264 V266V200-I208 HydrophobicContact CB-CB 4.46Å; V200-I208 HydrophobicContact CB-CG2 4.39Å; V200-I208 HydrophobicContact CG2-CB 4.17Å; V200-I208 HydrophobicContact CG2-CD1 3.87Å; V200-I208 HydrophobicContact CG2-CG2 3.87Å; K202-I208 HydrophobicContact CG-CG2 4.02Å; I208-I210 HydrophobicContact CD1-CD1 3.92Å; I208-I210 HydrophobicContact CD1-CG1 3.97Å; I208-I210 HydrophobicContact CD1-CG2 4.26Å; I208-I210 HydrophobicContact CG1-CG1 4.02Å; I208-I210 HydrophobicContact CG1-CG2 4.44Å; I208-S224 WeakPolarHBondContact O-CB 3.38Å; I208-A226 VanDerWaalsContact O-CB 3.24Å; I208-A226 WeakPolarHBondContact O-CB 3.44Å; I208-A226 PolarHBondContact O-N 2.83Å; I208-I231 HydrophobicContact CD1-CD1 4.41Å; I208-M257 HydrophobicContact CD1-CE 3.41Å; I208-M257 VanDerWaalsContact CD1-CE 3.41Å; I208-M257 HydrophobicContact CG1-CE 3.84Å; I208-M264 HydrophobicContact CD1-SD 4.25Å; I208-M264 HydrophobicContact CG2-CE 3.97Å; I208-M264 HydrophobicContact CG2-SD 4.13Å; I208-V266 HydrophobicContact CD1-CG2 4.41Å
209G95Very high94.8Very high9 Ų960.1 Ų60.19%0.09333%0.327CS..SBendtrans83.243.5178.200000116.2V221G209-V221 PolarHBondContact O-N 2.9Å
210I96.1Very high94.9Very high25 Ų2560 Ų6013%0.12832%0.323CS..EExtended strand (participates in β ladder)trans-118.7153169.665.5170.5000111.8I208 V212 I217 A226 I231 I237 M257I208-I210 HydrophobicContact CD1-CD1 3.92Å; I208-I210 HydrophobicContact CD1-CG1 3.97Å; I208-I210 HydrophobicContact CD1-CG2 4.26Å; I208-I210 HydrophobicContact CG1-CG1 4.02Å; I208-I210 HydrophobicContact CG1-CG2 4.44Å; I210-V212 HydrophobicContact CD1-CG2 3.52Å; I210-V212 HydrophobicContact CG1-CG2 3.93Å; I210-I217 HydrophobicContact CD1-CG1 4.38Å; I210-A226 HydrophobicContact CG2-CB 3.37Å; I210-I231 HydrophobicContact CG2-CD1 4.2Å; I210-I231 HydrophobicContact CG2-CG2 4.17Å; I210-I237 HydrophobicContact CD1-CD1 3.62Å; I210-M257 HydrophobicContact CD1-CE 3.97Å; I210-M257 HydrophobicContact CG1-CE 4.37Å
211Q95.6Very high94.9Very high111 Ų11163.4 Ų63.452%0.51934%0.344SS..EExtended strand (participates in β ladder)trans-109.9122.8166.6-62.7-175.94.700109.5K218 A219Q211-K218 PolarHBondContact O-N 3.48Å; Q211-A219 HydrophobicContact CB-CB 4.13Å; Q211-A219 HydrophobicContact CG-CB 4.28Å; Q211-A219 PolarHBondContact N-O 2.94Å
212V96.3Very high94.9Very high20 Ų2067.6 Ų67.612%0.12136%0.361CS..EExtended strand (participates in β ladder)trans-110.1143.2-177.2-175.80000110.1I210 L216 I237 L253I210-V212 HydrophobicContact CD1-CG2 3.52Å; I210-V212 HydrophobicContact CG1-CG2 3.93Å; V212-L216 CarbonylContact C-O 3.59Å; V212-L216 WeakPolarHBondContact CA-O 3.28Å; V212-I237 HydrophobicContact CG2-CD1 3.81Å; V212-L253 HydrophobicContact CG1-CD2 3.98Å
213R95.6Very high95Very high169 Ų16972.1 Ų72.164%0.63839%0.388SS*.EExtended strand (participates in β ladder)trans-140.7120.2166.4-65.4-169.2-175.3-174.91.3110.6G215 L216 K218 D250R213-G215 VanDerWaalsContact C-N 3.28Å; R213-G215 PolarHBondContact O-N 2.81Å; R213-L216 PolarHBondContact N-O 3.49Å; R213-L216 VanDerWaalsContact O-CB 3.27Å; R213-L216 WeakPolarHBondContact O-CB 3.24Å; R213-L216 PolarHBondContact O-N 2.97Å; R213-K218 HydrophobicContact CB-CG 3.94Å; R213-K218 HydrophobicContact CG-CG 3.96Å; R213-D250 WeakPolarHBondContact CA-OD2 3.23Å
214N93.9Very high95.1Very high135 Ų13569 Ų6972%0.72237%0.372SS*.THydrogen-bonded Turntrans50.244.4-170-58.6-29.1000112.7L216 Q236 D250N214-L216 PolarHBondContact O-N 3.23Å; N214-Q236 PolarHBondContact O-NE2 2.85Å; N214-D250 WeakPolarHBondContact CA-OD1 3.43Å; N214-D250 PolarHBondContact N-OD1 2.74Å; N214-D250 PolarHBondContact N-OD2 2.82Å
215G94.4Very high95.3Very high5 Ų563.3 Ų63.35%0.05233%0.332CS..THydrogen-bonded Turntrans70.8-3-174.600000115.9R213 Q236 I237 D250R213-G215 VanDerWaalsContact C-N 3.28Å; R213-G215 PolarHBondContact O-N 2.81Å; G215-Q236 VanDerWaalsContact C-CD 3.49Å; G215-Q236 VanDerWaalsContact C-NE2 3.28Å; G215-Q236 VanDerWaalsContact CA-NE2 3.33Å; G215-I237 PolarHBondContact O-N 2.95Å; G215-D250 PolarHBondContact N-OD1 3.27Å
216L97.3Very high95.5Very high9 Ų956 Ų565%0.04729%0.293CS..EExtended strand (participates in β ladder)trans-88.3128.7177.7-176.772.3000111.1V212 R213 N214 K218 K271V212-L216 CarbonylContact C-O 3.59Å; V212-L216 WeakPolarHBondContact CA-O 3.28Å; R213-L216 PolarHBondContact N-O 3.49Å; R213-L216 VanDerWaalsContact O-CB 3.27Å; R213-L216 WeakPolarHBondContact O-CB 3.24Å; R213-L216 PolarHBondContact O-N 2.97Å; N214-L216 PolarHBondContact O-N 3.23Å; L216-K218 HydrophobicContact CD2-CD 4.11Å; L216-K218 PolarHBondContact O-N 3.36Å; L216-K271 HydrophobicContact CD1-CB 3.76Å; L216-K271 HydrophobicContact CD1-CD 3.83Å; L216-K271 HydrophobicContact CD1-CG 3.76Å; L216-K271 HydrophobicContact CD2-CD 3.83Å
217I97.2Very high95.7Very high1 Ų156.8 Ų56.81%0.00530%0.298CS..EExtended strand (participates in β ladder)trans-72111.8174.9-58.2160.2000109.1I210 I220 I231 T233 N234 H235 I237 I268I210-I217 HydrophobicContact CD1-CG1 4.38Å; I217-I220 HydrophobicContact CG2-CG1 4.21Å; I217-I231 HydrophobicContact CD1-CG2 3.72Å; I217-I231 HydrophobicContact CG2-CG2 4.31Å; I217-T233 HydrophobicContact CG2-CG2 4.44Å; I217-N234 PolarHBondContact O-N 3.47Å; I217-H235 HydrophobicContact CD1-CB 4.43Å; I217-H235 PolarHBondContact N-O 3.45Å; I217-I237 HydrophobicContact CD1-CD1 4.41Å; I217-I237 HydrophobicContact CD1-CG1 3.9Å; I217-I237 HydrophobicContact CG1-CD1 4.06Å; I217-I237 HydrophobicContact CG1-CG1 3.87Å; I217-I268 HydrophobicContact CD1-CG2 3.86Å
218K96.9Very high95.9Very high113 Ų11362.9 Ų62.949%0.49131%0.311SS..EExtended strand (participates in β ladder)trans-94.2-41.5-177.7-74.5-59.6-164.3-178.70113.4Q211 R213 L216Q211-K218 PolarHBondContact O-N 3.48Å; R213-K218 HydrophobicContact CB-CG 3.94Å; R213-K218 HydrophobicContact CG-CG 3.96Å; L216-K218 HydrophobicContact CD2-CD 4.11Å; L216-K218 PolarHBondContact O-N 3.36Å
219A96.9Very high96Very high33 Ų3365.8 Ų65.827%0.27333%0.327SS..EExtended strand (participates in β ladder)trans-147.3160.9-179.800000110.4Q211Q211-A219 HydrophobicContact CB-CB 4.13Å; Q211-A219 HydrophobicContact CG-CB 4.28Å; Q211-A219 PolarHBondContact N-O 2.94Å
220I96.8Very high95.9Very high49 Ų4966.9 Ų66.925%0.25134%0.338SS..EExtended strand (participates in β ladder)trans-128.1133.9179.4-58.9168.9000106.9I217 A226 A227 I231 T233I217-I220 HydrophobicContact CG2-CG1 4.21Å; I220-A226 HydrophobicContact CG2-CB 4Å; I220-A227 HydrophobicContact CG2-CB 3.92Å; I220-I231 HydrophobicContact CD1-CB 4.31Å; I220-I231 HydrophobicContact CD1-CG2 4.1Å; I220-I231 WeakPolarHBondContact CD1-O 3.31Å; I220-T233 HydrophobicContact CD1-CG2 4.02Å; I220-T233 HydrophobicContact CG1-CG2 3.99Å
221V96.9Very high95.9Very high73 Ų7366 Ų6644%0.44233%0.333SS..  trans-75.7133.9179.2-176.60000108.5G209 S224G209-V221 PolarHBondContact O-N 2.9Å; V221-S224 VanDerWaalsContact O-CB 3.27Å; V221-S224 WeakPolarHBondContact O-CB 3.46Å; V221-S224 PolarHBondContact O-N 2.89Å; V221-S224 PolarHBondContact O-OG 3.49Å
222K95.8Very high95.8Very high181 Ų18164.5 Ų64.579%0.78733%0.329SS*.THydrogen-bonded Turntrans-59147.7174.6-65.6-176.2178.4-177.30110S224K222-S224 PolarHBondContact O-N 2.93Å
223D94.5Very high95.9Very high143 Ų14366.9 Ų66.977%0.76534%0.343SS*.THydrogen-bonded Turntrans58.316.2177.4-47.6-54.9000115.2R228D223-R228 PolarHBondContact O-NH1 3.36Å
224S96.3Very high95.9Very high10 Ų1063 Ų637%0.0734%0.335CS..SBendtrans-83.6166.8173.168.90000113I208 V221 K222 A226 A227 R228I208-S224 WeakPolarHBondContact O-CB 3.38Å; V221-S224 VanDerWaalsContact O-CB 3.27Å; V221-S224 WeakPolarHBondContact O-CB 3.46Å; V221-S224 PolarHBondContact O-N 2.89Å; V221-S224 PolarHBondContact O-OG 3.49Å; K222-S224 PolarHBondContact O-N 2.93Å; S224-A226 VanDerWaalsContact C-N 3.29Å; S224-A226 PolarHBondContact O-N 2.69Å; S224-A227 PolarHBondContact O-N 2.85Å; S224-A227 PolarHBondContact OG-N 3.41Å; S224-A227 VanDerWaalsContact OG-N 3.11Å; S224-R228 PolarHBondContact O-N 3.19Å; S224-R228 VanDerWaalsContact O-N 3.07Å; S224-R228 PolarHBondContact O-NH1 3.07Å
225S95.6Very high96.1Very high8 Ų858.2 Ų58.26%0.05631%0.308CS..Hα-helixtrans-65.1-34.9172.6-1640000112.2H201 A227 R228 N229H201-S225 PolarHBondContact N-OG 3.49Å; H201-S225 WeakPolarHBondContact O-CB 3.24Å; H201-S225 PolarHBondContact O-OG 3.17Å; S225-A227 PolarHBondContact O-N 3.12Å; S225-R228 PolarHBondContact O-N 3.16Å; S225-N229 WeakPolarHBondContact O-CB 3.4Å; S225-N229 PolarHBondContact O-N 3.22Å; S225-N229 PolarHBondContact O-ND2 2.87Å; S225-N229 PolarHBondContact OG-ND2 3.3Å; S225-N229 VanDerWaalsContact OG-ND2 3.15Å
226A95.9Very high96.3Very high0 Ų058.6 Ų58.60%031%0.309CS..Hα-helixtrans-60.1-42.5172.900000112.8I208 I210 I220 S224 G230 I231I208-A226 VanDerWaalsContact O-CB 3.24Å; I208-A226 WeakPolarHBondContact O-CB 3.44Å; I208-A226 PolarHBondContact O-N 2.83Å; I210-A226 HydrophobicContact CG2-CB 3.37Å; I220-A226 HydrophobicContact CG2-CB 4Å; S224-A226 VanDerWaalsContact C-N 3.29Å; S224-A226 PolarHBondContact O-N 2.69Å; A226-G230 PolarHBondContact O-N 3.29Å; A226-I231 HydrophobicContact CB-CB 4.11Å; A226-I231 HydrophobicContact CB-CD1 3.77Å; A226-I231 HydrophobicContact CB-CG1 4.12Å; A226-I231 WeakPolarHBondContact O-CB 3.45Å; A226-I231 PolarHBondContact O-N 2.94Å
227A95.9Very high96.2Very high47 Ų4758.3 Ų58.339%0.38831%0.307SS..Hα-helixtrans-65-45.9175.500000111.9I220 S224 S225 N229 G230I220-A227 HydrophobicContact CG2-CB 3.92Å; S224-A227 PolarHBondContact O-N 2.85Å; S224-A227 PolarHBondContact OG-N 3.41Å; S224-A227 VanDerWaalsContact OG-N 3.11Å; S225-A227 PolarHBondContact O-N 3.12Å; A227-N229 PolarHBondContact O-N 3.05Å; A227-G230 PolarHBondContact O-N 3.35Å
228R96.6Very high96.2Very high171 Ų17158.3 Ų58.365%0.64531%0.307SS*.Hα-helixtrans-64.6-35.8-179.8-72.2-168.7-64.5-80.92.6113.8D223 S224 S225 G230D223-R228 PolarHBondContact O-NH1 3.36Å; S224-R228 PolarHBondContact O-N 3.19Å; S224-R228 VanDerWaalsContact O-N 3.07Å; S224-R228 PolarHBondContact O-NH1 3.07Å; S225-R228 PolarHBondContact O-N 3.16Å; R228-G230 VanDerWaalsContact C-N 3.34Å
229N95.6Very high96.1Very high70 Ų7053.2 Ų53.237%0.37429%0.285SS..THydrogen-bonded Turntrans-90.95.8-178.4-67.5-73.1000113.7I198 T199 V200 S225 A227I198-N229 HydrophobicContact CG2-CB 3.69Å; I198-N229 WeakPolarHBondContact CG2-O 3.34Å; T199-N229 WeakPolarHBondContact O-CB 3.48Å; T199-N229 PolarHBondContact O-ND2 3.2Å; T199-N229 PolarHBondContact O-OD1 2.96Å; V200-N229 HydrophobicContact CG1-CB 4.15Å; S225-N229 WeakPolarHBondContact O-CB 3.4Å; S225-N229 PolarHBondContact O-N 3.22Å; S225-N229 PolarHBondContact O-ND2 2.87Å; S225-N229 PolarHBondContact OG-ND2 3.3Å; S225-N229 VanDerWaalsContact OG-ND2 3.15Å; A227-N229 PolarHBondContact O-N 3.05Å
230G93.1Very high96Very high31 Ų3151.8 Ų51.832%0.3227%0.273SS..THydrogen-bonded Turntrans69.536.8174.800000114.2A226 A227 R228A226-G230 PolarHBondContact O-N 3.29Å; A227-G230 PolarHBondContact O-N 3.35Å; R228-G230 VanDerWaalsContact C-N 3.34Å
231I95.7Very high95.8Very high6 Ų651.5 Ų51.53%0.03127%0.272CS..  trans-57.4143.2162.4-67.4-165.2000108.5I198 V200 I208 I210 I217 I220 A226I198-I231 HydrophobicContact CB-CG1 4.29Å; I198-I231 HydrophobicContact CD1-CB 4.43Å; I198-I231 HydrophobicContact CD1-CG1 3.94Å; I198-I231 HydrophobicContact CG2-CG1 3.83Å; V200-I231 HydrophobicContact CG1-CD1 3.72Å; V200-I231 HydrophobicContact CG1-CG1 4.22Å; I208-I231 HydrophobicContact CD1-CD1 4.41Å; I210-I231 HydrophobicContact CG2-CD1 4.2Å; I210-I231 HydrophobicContact CG2-CG2 4.17Å; I217-I231 HydrophobicContact CD1-CG2 3.72Å; I217-I231 HydrophobicContact CG2-CG2 4.31Å; I220-I231 HydrophobicContact CD1-CB 4.31Å; I220-I231 HydrophobicContact CD1-CG2 4.1Å; I220-I231 WeakPolarHBondContact CD1-O 3.31Å; A226-I231 HydrophobicContact CB-CB 4.11Å; A226-I231 HydrophobicContact CB-CD1 3.77Å; A226-I231 HydrophobicContact CB-CG1 4.12Å; A226-I231 WeakPolarHBondContact O-CB 3.45Å; A226-I231 PolarHBondContact O-N 2.94Å
232L95.3Very high95.5Very high81 Ų8148.2 Ų48.242%0.42425%0.253SS..  trans-112.6140-178.4-61-179.9000111.1H235L232-H235 WeakPolarHBondContact CB-ND1 3.32Å
233T96.6Very high95.4Very high70 Ų7042.3 Ų42.343%0.42923%0.228SC..THydrogen-bonded Turntrans-69.5165.2166.454.80000110.7I217 I220 H235I217-T233 HydrophobicContact CG2-CG2 4.44Å; I220-T233 HydrophobicContact CD1-CG2 4.02Å; I220-T233 HydrophobicContact CG1-CG2 3.99Å; T233-H235 PolarHBondContact O-N 2.75Å; T233-H235 PolarHBondContact O-ND1 3.2Å
234N96.9Very high95.4Very high86 Ų8635.9 Ų35.946%0.4619%0.194SC..THydrogen-bonded Turntrans59.525.6-176.8-162.141.1000114I217 K271I217-N234 PolarHBondContact O-N 3.47Å; N234-K271 VanDerWaalsContact O-CB 3.25Å; N234-K271 WeakPolarHBondContact O-CB 3.34Å; N234-K271 PolarHBondContact O-N 2.93Å; N234-K271 VanDerWaalsContact O-N 3.15Å; N234-K271 WeakPolarHBondContact OD1-CD 3.45Å
235H97.8Very high95.4Very high36 Ų3635.7 Ų35.717%0.16719%0.192CC..EExtended strand (participates in β ladder)trans-116.9141.8171.8-70.664.4000109.8I217 L232 T233 I268 I269I217-H235 HydrophobicContact CD1-CB 4.43Å; I217-H235 PolarHBondContact N-O 3.45Å; L232-H235 WeakPolarHBondContact CB-ND1 3.32Å; T233-H235 PolarHBondContact O-N 2.75Å; T233-H235 PolarHBondContact O-ND1 3.2Å; H235-I268 HydrophobicContact CB-CB 4.18Å; H235-I268 HydrophobicContact CB-CD1 4.02Å; H235-I268 HydrophobicContact CB-CG1 4.48Å; H235-I269 CarbonylContact C-O 3.56Å; H235-I269 WeakPolarHBondContact CA-O 3.16Å
236Q97.5Very high95.4Very high13 Ų1335.3 Ų35.36%0.06119%0.189CC..EExtended strand (participates in β ladder)trans-89.3134.4177.7-170.775.717.500109N214 G215 I238 I268 I269 Y274N214-Q236 PolarHBondContact O-NE2 2.85Å; G215-Q236 VanDerWaalsContact C-CD 3.49Å; G215-Q236 VanDerWaalsContact C-NE2 3.28Å; G215-Q236 VanDerWaalsContact CA-NE2 3.33Å; Q236-I238 HydrophobicContact CG-CG2 4.24Å; Q236-I268 CarbonylContact O-C 3.58Å; Q236-I268 VanDerWaalsContact O-CA 3.3Å; Q236-I268 WeakPolarHBondContact O-CA 3.47Å; Q236-I269 HydrophobicContact CB-CG2 3.96Å; Q236-I269 PolarHBondContact N-O 3.07Å; Q236-I269 PolarHBondContact O-N 3.13Å; Q236-Y274 HydrophobicContact CB-CD1 4.28Å; Q236-Y274 HydrophobicContact CB-CD2 4.21Å; Q236-Y274 HydrophobicContact CB-CG 3.94Å; Q236-Y274 HydrophobicContact CG-CD1 3.88Å; Q236-Y274 HydrophobicContact CG-CD2 3.73Å; Q236-Y274 HydrophobicContact CG-CE1 3.95Å; Q236-Y274 HydrophobicContact CG-CE2 3.8Å; Q236-Y274 HydrophobicContact CG-CG 3.76Å
237I97.2Very high95.3Very high2 Ų236.3 Ų36.31%0.0120%0.2CC..EExtended strand (participates in β ladder)trans-78.9131.8168.9-53.3171.5000108.1I210 V212 G215 I217 V240 V245 L253 V266 I268I210-I237 HydrophobicContact CD1-CD1 3.62Å; V212-I237 HydrophobicContact CG2-CD1 3.81Å; G215-I237 PolarHBondContact O-N 2.95Å; I217-I237 HydrophobicContact CD1-CD1 4.41Å; I217-I237 HydrophobicContact CD1-CG1 3.9Å; I217-I237 HydrophobicContact CG1-CD1 4.06Å; I217-I237 HydrophobicContact CG1-CG1 3.87Å; I237-V240 HydrophobicContact CG2-CG2 4.11Å; I237-V245 HydrophobicContact CB-CG2 4.48Å; I237-V245 HydrophobicContact CG2-CG2 3.83Å; I237-L253 HydrophobicContact CD1-CD2 4.44Å; I237-V266 HydrophobicContact CG1-CG1 4.32Å; I237-V266 HydrophobicContact CG2-CG1 3.79Å; I237-I268 HydrophobicContact CG1-CG2 4.36Å
238I95.8Very high95.2Very high2 Ų235.9 Ų35.91%0.0119%0.191CC..EExtended strand (participates in β ladder)trans-127.8-24.5-176.154.4169.6000113.5F153 E195 Q236 N244 V245 V246 T267 I269 Y274F153-I238 HydrophobicContact CE1-CG2 4.31Å; E195-I238 HydrophobicContact CB-CD1 4.49Å; E195-I238 HydrophobicContact CG-CD1 3.65Å; E195-I238 WeakPolarHBondContact OE1-CD1 3.46Å; E195-I238 WeakPolarHBondContact OE2-CD1 3.19Å; Q236-I238 HydrophobicContact CG-CG2 4.24Å; I238-N244 WeakPolarHBondContact O-CA 3.32Å; I238-V245 VanDerWaalsContact C-CG2 3.49Å; I238-V245 PolarHBondContact O-N 3.14Å; I238-V246 HydrophobicContact CB-CG2 3.88Å; I238-V246 HydrophobicContact CG2-CG2 3.84Å; I238-T267 HydrophobicContact CD1-CG2 3.98Å; I238-T267 HydrophobicContact CG1-CG2 3.94Å; I238-T267 VanDerWaalsContact CG1-O 3.31Å; I238-T267 WeakPolarHBondContact CG1-O 3.46Å; I238-T267 PolarHBondContact N-O 3.21Å; I238-I269 HydrophobicContact CD1-CB 3.84Å; I238-I269 HydrophobicContact CD1-CD1 4.21Å; I238-I269 HydrophobicContact CD1-CG2 4.04Å; I238-I269 HydrophobicContact CG1-CG2 4.43Å; I238-I269 HydrophobicContact CG2-CG2 3.63Å; I238-Y274 HydrophobicContact CG2-CD2 4.3Å; I238-Y274 HydrophobicContact CG2-CE2 4.45Å
239E95.4Very high95.1Very high5 Ų533.5 Ų33.52%0.02319%0.185CC..EExtended strand (participates in β ladder)trans-140.5152.3166.7-49.3178.2156.100112.1R192 Q243 T267R192-E239 IonicContact CZ-OE2 3.36Å; R192-E239 IonicContact NH1-OE1 3.21Å; R192-E239 PolarHBondContact NH1-OE1 2.96Å; R192-E239 VanDerWaalsContact NH1-OE1 3.11Å; R192-E239 IonicContact NH1-OE2 3.92Å; R192-E239 PolarHBondContact NH1-OE2 3.09Å; E239-Q243 CarbonylContact C-O 3.6Å; E239-Q243 WeakPolarHBondContact CA-O 3.32Å; E239-Q243 WeakPolarHBondContact CB-O 3.47Å; E239-T267 PolarHBondContact N-O 3.41Å; E239-T267 PolarHBondContact O-N 2.73Å; E239-T267 PolarHBondContact OE2-OG1 2.86Å
240V94.9Very high95.1Very high3 Ų331.9 Ų31.92%0.01818%0.177CC..EExtended strand (participates in β ladder)trans-129.9121169.1-179.80000107.4I237 G242 Q243 V245 L253 L256 M257 M264I237-V240 HydrophobicContact CG2-CG2 4.11Å; V240-G242 PolarHBondContact O-N 3.06Å; V240-Q243 PolarHBondContact N-O 3.03Å; V240-Q243 WeakPolarHBondContact O-CB 3.37Å; V240-Q243 PolarHBondContact O-N 3.12Å; V240-V245 HydrophobicContact CB-CG1 4.47Å; V240-V245 HydrophobicContact CG2-CG1 4.12Å; V240-V245 HydrophobicContact CG2-CG2 4.46Å; V240-L253 HydrophobicContact CG2-CD1 4.12Å; V240-L256 HydrophobicContact CB-CD2 4.37Å; V240-M257 HydrophobicContact CG1-CG 4.31Å; V240-M257 HydrophobicContact CG2-CG 4.09Å; V240-M264 HydrophobicContact CG1-CG 3.96Å; V240-M264 HydrophobicContact CG1-SD 4.19Å
241N92.6Very high95.2Very high44 Ų4438 Ų3824%0.23519%0.194CC..THydrogen-bonded Turntrans50.137.1-173.4-67.6-7.8000113.8Q243 M264 K265N241-Q243 PolarHBondContact O-N 3.37Å; N241-M264 VanDerWaalsContact OD1-CA 3.28Å; N241-M264 WeakPolarHBondContact OD1-CA 3.42Å; N241-K265 PolarHBondContact N-O 3.43Å; N241-K265 PolarHBondContact OD1-N 3.49Å
242G91Very high95.2Very high3 Ų340 Ų403%0.03121%0.205CC..THydrogen-bonded Turntrans78.5-6-176.500000115.1V240V240-G242 PolarHBondContact O-N 3.06Å
243Q93.7Very high95.2Very high58 Ų5836.3 Ų36.327%0.27119%0.186SC..EExtended strand (participates in β ladder)trans-82.4127.1172.1-165.4170.412.900110.7E239 V240 N241 L256 L294E239-Q243 CarbonylContact C-O 3.6Å; E239-Q243 WeakPolarHBondContact CA-O 3.32Å; E239-Q243 WeakPolarHBondContact CB-O 3.47Å; V240-Q243 PolarHBondContact N-O 3.03Å; V240-Q243 WeakPolarHBondContact O-CB 3.37Å; V240-Q243 PolarHBondContact O-N 3.12Å; N241-Q243 PolarHBondContact O-N 3.37Å; Q243-L256 VanDerWaalsContact OE1-CD1 3.27Å; Q243-L294 HydrophobicContact CB-CD2 3.77Å; Q243-L294 HydrophobicContact CG-CD2 4.34Å
244N94.4Very high95Very high8 Ų836.5 Ų36.54%0.04318%0.184CC..EExtended strand (participates in β ladder)trans-68.5133.6178.8-167.9-71.7000112.5I238 V246 D291 R292I238-N244 WeakPolarHBondContact O-CA 3.32Å; N244-V246 VanDerWaalsContact OD1-CB 3.25Å; N244-V246 WeakPolarHBondContact OD1-CB 3.37Å; N244-V246 WeakPolarHBondContact OD1-CG2 3.43Å; N244-V246 PolarHBondContact OD1-N 3.04Å; N244-D291 WeakPolarHBondContact CB-O 3.47Å; N244-R292 HydrophobicContact CB-CG 4.43Å; N244-R292 WeakPolarHBondContact O-CG 3.44Å
245V95.9Very high94.9Very high5 Ų537 Ų373%0.0318%0.183CC..  trans-120.89.4179.4-60.60000113.7I237 I238 V240 G247 L248 L253 L256I237-V245 HydrophobicContact CB-CG2 4.48Å; I237-V245 HydrophobicContact CG2-CG2 3.83Å; I238-V245 VanDerWaalsContact C-CG2 3.49Å; I238-V245 PolarHBondContact O-N 3.14Å; V240-V245 HydrophobicContact CB-CG1 4.47Å; V240-V245 HydrophobicContact CG2-CG1 4.12Å; V240-V245 HydrophobicContact CG2-CG2 4.46Å; V245-G247 PolarHBondContact O-N 3.11Å; V245-L248 HydrophobicContact CB-CD1 3.93Å; V245-L248 HydrophobicContact CG1-CD1 4.02Å; V245-L248 WeakPolarHBondContact O-CB 3.38Å; V245-L248 PolarHBondContact O-N 2.99Å; V245-L253 HydrophobicContact CB-CD1 3.88Å; V245-L253 HydrophobicContact CG1-CD1 3.89Å; V245-L253 HydrophobicContact CG2-CD1 3.86Å; V245-L256 HydrophobicContact CG1-CD2 3.53Å
246V95.2Very high94.7Very high0 Ų036.9 Ų36.90%018%0.184CC..THydrogen-bonded Turntrans-56.7131.3179.4176.20000110.2F153 I238 N244 L248 Y274 L286 M290 R292F153-V246 HydrophobicContact CD1-CG2 4.18Å; F153-V246 HydrophobicContact CD2-CG2 4.48Å; F153-V246 HydrophobicContact CE1-CG2 4.37Å; F153-V246 HydrophobicContact CE2-CG1 4.3Å; F153-V246 HydrophobicContact CG-CG2 4.23Å; I238-V246 HydrophobicContact CB-CG2 3.88Å; I238-V246 HydrophobicContact CG2-CG2 3.84Å; N244-V246 VanDerWaalsContact OD1-CB 3.25Å; N244-V246 WeakPolarHBondContact OD1-CB 3.37Å; N244-V246 WeakPolarHBondContact OD1-CG2 3.43Å; N244-V246 PolarHBondContact OD1-N 3.04Å; V246-L248 PolarHBondContact O-N 3.39Å; V246-Y274 HydrophobicContact CG1-CE2 4.06Å; V246-L286 HydrophobicContact CG1-CD1 4.45Å; V246-L286 HydrophobicContact CG1-CD2 4.13Å; V246-M290 HydrophobicContact CB-CG 4.46Å; V246-R292 PolarHBondContact O-NH2 3.43Å
247G93.2Very high94.5Very high22 Ų2236.6 Ų36.623%0.22718%0.183CC..THydrogen-bonded Turntrans69.83.6178.300000116.5V245 R287V245-G247 PolarHBondContact O-N 3.11Å; G247-R287 WeakPolarHBondContact O-CB 3.36Å; G247-R287 WeakPolarHBondContact O-CG 3.43Å
248L94.5Very high94.3Very high37 Ų3741.6 Ų41.619%0.19421%0.209CC..  trans-66.7156.8170.5-69.7-176000111.4V245 V246 D252V245-L248 HydrophobicContact CB-CD1 3.93Å; V245-L248 HydrophobicContact CG1-CD1 4.02Å; V245-L248 WeakPolarHBondContact O-CB 3.38Å; V245-L248 PolarHBondContact O-N 2.99Å; V246-L248 PolarHBondContact O-N 3.39Å; L248-D252 HydrophobicContact CB-CB 4.43Å
249K94.9Very high94.1Very high121 Ų12147.8 Ų47.853%0.52624%0.238SC..  trans-76.7152169.1-68.1-178.3177.3-175.90109.2K251 D252 L253K249-K251 PolarHBondContact O-N 3.21Å; K249-K251 VanDerWaalsContact O-N 3.15Å; K249-D252 PolarHBondContact O-N 2.88Å; K249-L253 PolarHBondContact O-N 3.01Å
250D95.2Very high93.9Very high37 Ų3748.5 Ų48.520%0.19824%0.243CC..Hα-helixtrans-55.3-35.5178.2-65.5-25.2000112.9R213 N214 G215 L253 L254R213-D250 WeakPolarHBondContact CA-OD2 3.23Å; N214-D250 WeakPolarHBondContact CA-OD1 3.43Å; N214-D250 PolarHBondContact N-OD1 2.74Å; N214-D250 PolarHBondContact N-OD2 2.82Å; G215-D250 PolarHBondContact N-OD1 3.27Å; D250-L253 PolarHBondContact O-N 3.04Å; D250-L254 VanDerWaalsContact O-CB 3.3Å; D250-L254 WeakPolarHBondContact O-CB 3.25Å; D250-L254 WeakPolarHBondContact O-CG 3.43Å; D250-L254 PolarHBondContact O-N 3.32Å
251K95.5Very high93.7Very high160 Ų16056.7 Ų56.770%0.69628%0.279SS*.Hα-helixtrans-59-49.9173.9-173.6-171.9175.4-172.10111.7K249 L253 Q255K249-K251 PolarHBondContact O-N 3.21Å; K249-K251 VanDerWaalsContact O-N 3.15Å; K251-L253 VanDerWaalsContact C-N 3.33Å; K251-Q255 WeakPolarHBondContact O-CB 3.43Å; K251-Q255 PolarHBondContact O-N 3.31Å
252D94.9Very high93.5Very high48 Ų4858.2 Ų58.226%0.25729%0.29SS..Hα-helixtrans-67-38.1-176.9-46.2-20.3000110.1L248 K249 L256 R287L248-D252 HydrophobicContact CB-CB 4.43Å; K249-D252 PolarHBondContact O-N 2.88Å; D252-L256 PolarHBondContact O-N 3.5Å; D252-L256 VanDerWaalsContact O-N 3.15Å; D252-R287 IonicContact OD1-NH2 3.55Å; D252-R287 IonicContact OD2-CZ 2.63Å; D252-R287 IonicContact OD2-NE 2.76Å; D252-R287 PolarHBondContact OD2-NE 3.15Å; D252-R287 IonicContact OD2-NH2 2.77Å; D252-R287 PolarHBondContact OD2-NH2 3.25Å
253L95.3Very high93.6Very high3 Ų361.8 Ų61.82%0.01631%0.313CS..Hα-helixtrans-67.8-48.3175.7170.359.1000112.9V212 I237 V240 V245 K249 D250 K251 Q255 L256 M257V212-L253 HydrophobicContact CG1-CD2 3.98Å; I237-L253 HydrophobicContact CD1-CD2 4.44Å; V240-L253 HydrophobicContact CG2-CD1 4.12Å; V245-L253 HydrophobicContact CB-CD1 3.88Å; V245-L253 HydrophobicContact CG1-CD1 3.89Å; V245-L253 HydrophobicContact CG2-CD1 3.86Å; K249-L253 PolarHBondContact O-N 3.01Å; D250-L253 PolarHBondContact O-N 3.04Å; K251-L253 VanDerWaalsContact C-N 3.33Å; L253-Q255 VanDerWaalsContact C-N 3.34Å; L253-L256 PolarHBondContact O-N 3.5Å; L253-M257 HydrophobicContact CD1-CG 4.28Å; L253-M257 HydrophobicContact CD1-SD 4.13Å; L253-M257 HydrophobicContact CG-SD 4.3Å; L253-M257 WeakPolarHBondContact O-CG 3.25Å; L253-M257 PolarHBondContact O-N 2.91Å
254L93.7Very high93.6Very high73 Ų7359.1 Ų59.138%0.38230%0.3SS..Hα-helixtrans-63.5-42.5179.1-71.6170.5000110.7D250 L256 M257 D258D250-L254 VanDerWaalsContact O-CB 3.3Å; D250-L254 WeakPolarHBondContact O-CB 3.25Å; D250-L254 WeakPolarHBondContact O-CG 3.43Å; D250-L254 PolarHBondContact O-N 3.32Å; L254-L256 VanDerWaalsContact C-N 3.35Å; L254-L256 PolarHBondContact O-N 3.24Å; L254-M257 CarbonylContact O-C 3.54Å; L254-M257 WeakPolarHBondContact O-CB 3.39Å; L254-M257 PolarHBondContact O-N 3.08Å; L254-M257 VanDerWaalsContact O-N 3.11Å; L254-D258 PolarHBondContact O-N 3.04Å
255Q94.1Very high93.5Very high96 Ų9659.9 Ų59.945%0.44930%0.303SS..Hα-helixtrans-57.3-46173.8179.8173.6-9.700112K251 L253 M257 D258 E259K251-Q255 WeakPolarHBondContact O-CB 3.43Å; K251-Q255 PolarHBondContact O-N 3.31Å; L253-Q255 VanDerWaalsContact C-N 3.34Å; Q255-M257 VanDerWaalsContact C-N 3.3Å; Q255-M257 PolarHBondContact O-N 2.99Å; Q255-D258 PolarHBondContact O-N 2.96Å; Q255-E259 HydrophobicContact CG-CG 4.45Å; Q255-E259 WeakPolarHBondContact CG-OE1 3.48Å; Q255-E259 PolarHBondContact NE2-OE1 2.65Å; Q255-E259 WeakPolarHBondContact O-CB 3.27Å; Q255-E259 WeakPolarHBondContact O-CG 3.5Å; Q255-E259 PolarHBondContact O-N 3.02Å
256L93.5Very high93.5Very high34 Ų3459.6 Ų59.618%0.17830%0.302CS..Hα-helixtrans-61.2-39.5176.2-174.770.5000112.1V240 Q243 V245 D252 L253 L254 S260V240-L256 HydrophobicContact CB-CD2 4.37Å; Q243-L256 VanDerWaalsContact OE1-CD1 3.27Å; V245-L256 HydrophobicContact CG1-CD2 3.53Å; D252-L256 PolarHBondContact O-N 3.5Å; D252-L256 VanDerWaalsContact O-N 3.15Å; L253-L256 PolarHBondContact O-N 3.5Å; L254-L256 VanDerWaalsContact C-N 3.35Å; L254-L256 PolarHBondContact O-N 3.24Å; L256-S260 WeakPolarHBondContact O-CB 3.2Å; L256-S260 PolarHBondContact O-N 2.83Å
257M94Very high93.5Very high8 Ų859.6 Ų59.64%0.03930%0.302CS..Hα-helixtrans-64.6-42.4175-69.817764.400111.5K202 I208 I210 V240 L253 L254 Q255 S260 M264K202-M257 WeakPolarHBondContact CE-O 3.5Å; K202-M257 PolarHBondContact NZ-O 3.38Å; I208-M257 HydrophobicContact CD1-CE 3.41Å; I208-M257 VanDerWaalsContact CD1-CE 3.41Å; I208-M257 HydrophobicContact CG1-CE 3.84Å; I210-M257 HydrophobicContact CD1-CE 3.97Å; I210-M257 HydrophobicContact CG1-CE 4.37Å; V240-M257 HydrophobicContact CG1-CG 4.31Å; V240-M257 HydrophobicContact CG2-CG 4.09Å; L253-M257 HydrophobicContact CD1-CG 4.28Å; L253-M257 HydrophobicContact CD1-SD 4.13Å; L253-M257 HydrophobicContact CG-SD 4.3Å; L253-M257 WeakPolarHBondContact O-CG 3.25Å; L253-M257 PolarHBondContact O-N 2.91Å; L254-M257 CarbonylContact O-C 3.54Å; L254-M257 WeakPolarHBondContact O-CB 3.39Å; L254-M257 PolarHBondContact O-N 3.08Å; L254-M257 VanDerWaalsContact O-N 3.11Å; Q255-M257 VanDerWaalsContact C-N 3.3Å; Q255-M257 PolarHBondContact O-N 2.99Å; M257-S260 PolarHBondContact O-N 2.82Å; M257-S260 PolarHBondContact O-OG 2.81Å; M257-M264 HydrophobicContact CB-CE 3.93Å; M257-M264 HydrophobicContact CE-CE 4.3Å; M257-M264 HydrophobicContact CE-SD 4.16Å; M257-M264 HydrophobicContact CG-CE 4.34Å; M257-M264 WeakPolarHBondContact O-CE 3.48Å
258D92.8Very high93.7Very high107 Ų10758.7 Ų58.757%0.57229%0.291SS*.Hα-helixtrans-66.5-37.7179.3-66.5-21.3000112.1K202 L254 Q255K202-D258 VanDerWaalsContact NZ-C 3.27Å; K202-D258 PolarHBondContact NZ-O 2.85Å; L254-D258 PolarHBondContact O-N 3.04Å; Q255-D258 PolarHBondContact O-N 2.96Å
259E92.5Very high93.8Very high131 Ų13156.9 Ų56.961%0.61228%0.282SS*.Hα-helixtrans-73.2-27.5175.1-70.9171.7-169.100113.2Q255Q255-E259 HydrophobicContact CG-CG 4.45Å; Q255-E259 WeakPolarHBondContact CG-OE1 3.48Å; Q255-E259 PolarHBondContact NE2-OE1 2.65Å; Q255-E259 WeakPolarHBondContact O-CB 3.27Å; Q255-E259 WeakPolarHBondContact O-CG 3.5Å; Q255-E259 PolarHBondContact O-N 3.02Å
260S90.3Very high93.9Very high20 Ų2053 Ų5314%0.1427%0.269CS..SBendtrans-67.6147.1-176.275.40000114.3K202 L256 M257 M264K202-S260 PolarHBondContact NZ-O 3.36Å; L256-S260 WeakPolarHBondContact O-CB 3.2Å; L256-S260 PolarHBondContact O-N 2.83Å; M257-S260 PolarHBondContact O-N 2.82Å; M257-S260 PolarHBondContact O-OG 2.81Å; S260-M264 WeakPolarHBondContact OG-CE 3.5Å
261K89.9Confident94Very high176 Ų17654 Ų5477%0.76527%0.272SS*.PPolyproline II helixtrans-80.7155.8177.1-63.5-179-177.8177.70111.9P263K261-P263 CarbonylContact O-C 3.51Å
262T89.5Confident94Very high75 Ų7550.6 Ų50.646%0.4626%0.264SS..SBendtrans-91.8143.4168.951.60000111.4K202K202-T262 HydrophobicContact CB-CG2 3.62Å; K202-T262 HydrophobicContact CD-CG2 3.98Å; K202-T262 HydrophobicContact CG-CG2 3.62Å; K202-T262 VanDerWaalsContact N-CG2 3.27Å
263P92Very high94.1Very high79 Ų7948.9 Ų48.951%0.51325%0.254SS..SBendcis-66.9140.4-4.327.9-34.7000112.3T199 K261T199-P263 HydrophobicContact CG2-CB 3.65Å; K261-P263 CarbonylContact O-C 3.51Å
264M93.3Very high94.2Very high1 Ų149.8 Ų49.81%0.00526%0.258CS..EExtended strand (participates in β ladder)trans-100.9122.6178.1178.2-154.2-73.900108.7T199 V200 I208 V240 N241 M257 S260 V266T199-M264 CarbonylContact C-O 3.59Å; T199-M264 WeakPolarHBondContact CA-O 3.35Å; V200-M264 HydrophobicContact CG2-CB 4.17Å; V200-M264 HydrophobicContact CG2-CG 4.43Å; V200-M264 WeakPolarHBondContact CG2-O 3.39Å; V200-M264 HydrophobicContact CG2-SD 4.01Å; V200-M264 PolarHBondContact N-O 3.15Å; V200-M264 PolarHBondContact O-N 3.37Å; I208-M264 HydrophobicContact CD1-SD 4.25Å; I208-M264 HydrophobicContact CG2-CE 3.97Å; I208-M264 HydrophobicContact CG2-SD 4.13Å; V240-M264 HydrophobicContact CG1-CG 3.96Å; V240-M264 HydrophobicContact CG1-SD 4.19Å; N241-M264 VanDerWaalsContact OD1-CA 3.28Å; N241-M264 WeakPolarHBondContact OD1-CA 3.42Å; M257-M264 HydrophobicContact CB-CE 3.93Å; M257-M264 HydrophobicContact CE-CE 4.3Å; M257-M264 HydrophobicContact CE-SD 4.16Å; M257-M264 HydrophobicContact CG-CE 4.34Å; M257-M264 WeakPolarHBondContact O-CE 3.48Å; S260-M264 WeakPolarHBondContact OG-CE 3.5Å; M264-V266 HydrophobicContact CG-CG2 4.02Å; M264-V266 HydrophobicContact SD-CG2 3.54Å; M264-V266 VanDerWaalsContact SD-CG2 3.54Å
265K94.2Very high94.3Very high24 Ų2449.4 Ų49.410%0.10426%0.256CS..EExtended strand (participates in β ladder)trans-91.1117.5172.1-67.2-172.1-178.7-174.10109.1D103 I105 D106 V197 N241D103-K265 VanDerWaalsContact CG-NZ 3.33Å; D103-K265 IonicContact OD2-NZ 3.47Å; D103-K265 PolarHBondContact OD2-NZ 3.08Å; I105-K265 HydrophobicContact CB-CD 3.94Å; I105-K265 HydrophobicContact CD1-CD 4.19Å; I105-K265 HydrophobicContact CG2-CB 3.92Å; I105-K265 HydrophobicContact CG2-CD 3.64Å; I105-K265 HydrophobicContact CG2-CG 4.42Å; D106-K265 IonicContact OD1-NZ 3.91Å; D106-K265 PolarHBondContact OD1-NZ 2.8Å; V197-K265 HydrophobicContact CG1-CB 3.94Å; V197-K265 HydrophobicContact CG1-CD 4.27Å; V197-K265 HydrophobicContact CG1-CG 4.32Å; N241-K265 PolarHBondContact N-O 3.43Å; N241-K265 PolarHBondContact OD1-N 3.49Å
266V95.3Very high94.3Very high0 Ų049.1 Ų49.10%025%0.253CS..EExtended strand (participates in β ladder)trans-107.6121.3177.4-1760000109I198 V200 I208 I237 M264 I268I198-V266 PolarHBondContact N-O 2.86Å; I198-V266 PolarHBondContact O-N 2.88Å; V200-V266 HydrophobicContact CG2-CG2 3.85Å; I208-V266 HydrophobicContact CD1-CG2 4.41Å; I237-V266 HydrophobicContact CG1-CG1 4.32Å; I237-V266 HydrophobicContact CG2-CG1 3.79Å; M264-V266 HydrophobicContact CG-CG2 4.02Å; M264-V266 HydrophobicContact SD-CG2 3.54Å; M264-V266 VanDerWaalsContact SD-CG2 3.54Å; V266-I268 HydrophobicContact CG1-CG2 3.88Å
267T95.5Very high94.4Very high0 Ų047.5 Ų47.50%025%0.245CC..EExtended strand (participates in β ladder)trans-94123.1174.9-51.20000109.4I107 E195 V197 I238 E239I107-T267 HydrophobicContact CD1-CG2 3.63Å; E195-T267 HydrophobicContact CB-CG2 4.12Å; E195-T267 VanDerWaalsContact OE2-CG2 3.29Å; E195-T267 WeakPolarHBondContact OE2-CG2 3.5Å; V197-T267 HydrophobicContact CG2-CG2 4.48Å; I238-T267 HydrophobicContact CD1-CG2 3.98Å; I238-T267 HydrophobicContact CG1-CG2 3.94Å; I238-T267 VanDerWaalsContact CG1-O 3.31Å; I238-T267 WeakPolarHBondContact CG1-O 3.46Å; I238-T267 PolarHBondContact N-O 3.21Å; E239-T267 PolarHBondContact N-O 3.41Å; E239-T267 PolarHBondContact O-N 2.73Å; E239-T267 PolarHBondContact OE2-OG1 2.86Å
268I96.7Very high94.5Very high2 Ų248.1 Ų48.11%0.0125%0.249CC..EExtended strand (participates in β ladder)trans-122.1151.7-178.467.2168.8000112.2E195 R196 I198 I217 H235 Q236 I237 V266E195-I268 WeakPolarHBondContact CA-O 3.28Å; R196-I268 HydrophobicContact CB-CG1 4.13Å; R196-I268 PolarHBondContact N-O 3.42Å; R196-I268 WeakPolarHBondContact O-CG1 3.32Å; R196-I268 PolarHBondContact O-N 3.42Å; I198-I268 HydrophobicContact CD1-CD1 3.65Å; I198-I268 HydrophobicContact CD1-CG1 4.25Å; I217-I268 HydrophobicContact CD1-CG2 3.86Å; H235-I268 HydrophobicContact CB-CB 4.18Å; H235-I268 HydrophobicContact CB-CD1 4.02Å; H235-I268 HydrophobicContact CB-CG1 4.48Å; Q236-I268 CarbonylContact O-C 3.58Å; Q236-I268 VanDerWaalsContact O-CA 3.3Å; Q236-I268 WeakPolarHBondContact O-CA 3.47Å; I237-I268 HydrophobicContact CG1-CG2 4.36Å; V266-I268 HydrophobicContact CG1-CG2 3.88Å
269I96.7Very high94.4Very high0 Ų053.5 Ų53.50%026%0.261CS..EExtended strand (participates in β ladder)trans-137.1144.5179.6-160169.2000110.4F153 F194 E195 H235 Q236 I238 K271 F273 Y274F153-I269 HydrophobicContact CE1-CD1 4.45Å; F194-I269 HydrophobicContact CB-CG1 4.44Å; E195-I269 HydrophobicContact CG-CB 4.19Å; E195-I269 HydrophobicContact CG-CD1 3.64Å; E195-I269 HydrophobicContact CG-CG1 3.92Å; H235-I269 CarbonylContact C-O 3.56Å; H235-I269 WeakPolarHBondContact CA-O 3.16Å; Q236-I269 HydrophobicContact CB-CG2 3.96Å; Q236-I269 PolarHBondContact N-O 3.07Å; Q236-I269 PolarHBondContact O-N 3.13Å; I238-I269 HydrophobicContact CD1-CB 3.84Å; I238-I269 HydrophobicContact CD1-CD1 4.21Å; I238-I269 HydrophobicContact CD1-CG2 4.04Å; I238-I269 HydrophobicContact CG1-CG2 4.43Å; I238-I269 HydrophobicContact CG2-CG2 3.63Å; I269-K271 PolarHBondContact O-N 3.48Å; I269-F273 HydrophobicContact CD1-CD1 3.47Å; I269-F273 VanDerWaalsContact CD1-CD1 3.47Å; I269-F273 HydrophobicContact CD1-CE1 3.8Å; I269-F273 HydrophobicContact CG1-CD1 3.93Å; I269-Y274 HydrophobicContact CG2-CD2 4.38Å
270P97.3Very high94.1Very high38 Ų3850.6 Ų50.625%0.24726%0.256CS..EExtended strand (participates in β ladder)trans-59.4133.2178.6-25.934.5000112.5F194 T272 F273 Y274F194-P270 WeakPolarHBondContact O-CD 3.49Å; P270-T272 PolarHBondContact O-N 2.7Å; P270-T272 VanDerWaalsContact O-N 3.14Å; P270-F273 PolarHBondContact O-N 2.85Å; P270-Y274 PolarHBondContact O-N 3.07Å; P270-Y274 VanDerWaalsContact O-N 3.1Å
271K96.7Very high94.1Very high59 Ų5950.3 Ų50.326%0.25725%0.252SS..Hα-helixtrans-53-40.3-178.3-173.3-166-175.3-52.10112.8L216 N234 I269 F273 Y274 D275L216-K271 HydrophobicContact CD1-CB 3.76Å; L216-K271 HydrophobicContact CD1-CD 3.83Å; L216-K271 HydrophobicContact CD1-CG 3.76Å; L216-K271 HydrophobicContact CD2-CD 3.83Å; N234-K271 VanDerWaalsContact O-CB 3.25Å; N234-K271 WeakPolarHBondContact O-CB 3.34Å; N234-K271 PolarHBondContact O-N 2.93Å; N234-K271 VanDerWaalsContact O-N 3.15Å; N234-K271 WeakPolarHBondContact OD1-CD 3.45Å; I269-K271 PolarHBondContact O-N 3.48Å; K271-F273 PolarHBondContact O-N 2.74Å; K271-Y274 PolarHBondContact O-N 2.73Å; K271-D275 IonicContact NZ-OD1 2.75Å; K271-D275 PolarHBondContact NZ-OD1 3.19Å; K271-D275 IonicContact NZ-OD2 3.74Å; K271-D275 PolarHBondContact NZ-OD2 2.81Å; K271-D275 WeakPolarHBondContact O-CB 3.44Å; K271-D275 PolarHBondContact O-N 3.02Å
272T96.4Very high94.2Very high88 Ų8845.9 Ų45.954%0.5424%0.241SC..Hα-helixtrans-63.3-21-179.253.80000114.1P270 K276P270-T272 PolarHBondContact O-N 2.7Å; P270-T272 VanDerWaalsContact O-N 3.14Å; T272-K276 WeakPolarHBondContact O-CD 3.44Å; T272-K276 WeakPolarHBondContact O-CE 3.04Å; T272-K276 WeakPolarHBondContact O-CG 3.48Å
273F96.6Very high94.2Very high12 Ų1246.9 Ų46.95%0.05325%0.252CS..Hα-helixtrans-93.6-42.9174.2-174.1-99.9000111.1I131 F136 F194 I269 P270 K271 D275 K276 L277I131-F273 HydrophobicContact CB-CE2 4.27Å; I131-F273 HydrophobicContact CD1-CD2 4.05Å; I131-F273 HydrophobicContact CD1-CE2 3.6Å; I131-F273 HydrophobicContact CD1-CZ 3.96Å; I131-F273 HydrophobicContact CG2-CD2 4.14Å; I131-F273 HydrophobicContact CG2-CE2 3.88Å; F136-F273 AromaticContact CD1-CZ 3.75Å; F136-F273 HydrophobicContact CD1-CZ 3.75Å; F136-F273 HydrophobicContact CD2-CZ 4.4Å; F136-F273 HydrophobicContact CE1-CE2 4.45Å; F136-F273 AromaticContact CE1-CZ 3.97Å; F136-F273 HydrophobicContact CE1-CZ 3.97Å; F136-F273 AromaticContact CG-CZ 3.98Å; F136-F273 HydrophobicContact CG-CZ 3.98Å; F136-F273 HydrophobicContact CZ-CE2 4.46Å; F136-F273 HydrophobicContact CZ-CZ 4.41Å; F194-F273 HydrophobicContact CB-CD1 4.13Å; F194-F273 HydrophobicContact CB-CE1 4.16Å; F194-F273 HydrophobicContact CB-CG 4.43Å; F194-F273 HydrophobicContact CD2-CD1 4.34Å; F194-F273 AromaticContact CD2-CD2 3.99Å; F194-F273 HydrophobicContact CD2-CD2 3.99Å; F194-F273 AromaticContact CD2-CE1 3.81Å; F194-F273 HydrophobicContact CD2-CE1 3.81Å; F194-F273 AromaticContact CD2-CE2 3.45Å; F194-F273 HydrophobicContact CD2-CE2 3.45Å; F194-F273 VanDerWaalsContact CD2-CE2 3.45Å; F194-F273 HydrophobicContact CD2-CG 4.41Å; F194-F273 AromaticContact CD2-CZ 3.35Å; F194-F273 HydrophobicContact CD2-CZ 3.35Å; F194-F273 HydrophobicContact CE2-CD2 4.28Å; F194-F273 AromaticContact CE2-CE2 3.6Å; F194-F273 HydrophobicContact CE2-CE2 3.6Å; F194-F273 AromaticContact CE2-CZ 3.85Å; F194-F273 HydrophobicContact CE2-CZ 3.85Å; F194-F273 HydrophobicContact CG-CD1 4.46Å; F194-F273 HydrophobicContact CG-CD2 4.32Å; F194-F273 HydrophobicContact CG-CE1 4.32Å; F194-F273 HydrophobicContact CG-CE2 4.22Å; F194-F273 HydrophobicContact CG-CG 4.45Å; F194-F273 HydrophobicContact CG-CZ 4.22Å; F194-F273 HydrophobicContact CZ-CE2 4.47Å; I269-F273 HydrophobicContact CD1-CD1 3.47Å; I269-F273 VanDerWaalsContact CD1-CD1 3.47Å; I269-F273 HydrophobicContact CD1-CE1 3.8Å; I269-F273 HydrophobicContact CG1-CD1 3.93Å; P270-F273 PolarHBondContact O-N 2.85Å; K271-F273 PolarHBondContact O-N 2.74Å; F273-D275 VanDerWaalsContact C-N 3.33Å; F273-D275 PolarHBondContact O-N 2.81Å; F273-K276 WeakPolarHBondContact O-CB 3.41Å; F273-K276 PolarHBondContact O-N 3.47Å; F273-L277 HydrophobicContact CD1-CD1 3.9Å; F273-L277 HydrophobicContact CD1-CG 4.36Å; F273-L277 HydrophobicContact CE1-CD1 3.53Å; F273-L277 HydrophobicContact CE1-CD2 4.47Å; F273-L277 HydrophobicContact CE1-CG 4.04Å; F273-L277 HydrophobicContact CZ-CD1 4.28Å; F273-L277 HydrophobicContact CZ-CD2 4.46Å; F273-L277 HydrophobicContact CZ-CG 4.4Å; F273-L277 PolarHBondContact O-N 2.69Å; F273-L277 VanDerWaalsContact O-N 3.09Å
274Y96.7Very high94.1Very high23 Ų2345.2 Ų45.29%0.0925%0.248CC..Hα-helixtrans-54-46.3172.2179.1-100000112.9F153 Q236 I238 V246 I269 P270 K271 K276 L277 T278F153-Y274 HydrophobicContact CE1-CD2 4.15Å; F153-Y274 AromaticContact CZ-CD2 3.85Å; F153-Y274 HydrophobicContact CZ-CD2 3.85Å; F153-Y274 HydrophobicContact CZ-CE2 4.03Å; Q236-Y274 HydrophobicContact CB-CD1 4.28Å; Q236-Y274 HydrophobicContact CB-CD2 4.21Å; Q236-Y274 HydrophobicContact CB-CG 3.94Å; Q236-Y274 HydrophobicContact CG-CD1 3.88Å; Q236-Y274 HydrophobicContact CG-CD2 3.73Å; Q236-Y274 HydrophobicContact CG-CE1 3.95Å; Q236-Y274 HydrophobicContact CG-CE2 3.8Å; Q236-Y274 HydrophobicContact CG-CG 3.76Å; I238-Y274 HydrophobicContact CG2-CD2 4.3Å; I238-Y274 HydrophobicContact CG2-CE2 4.45Å; V246-Y274 HydrophobicContact CG1-CE2 4.06Å; I269-Y274 HydrophobicContact CG2-CD2 4.38Å; P270-Y274 PolarHBondContact O-N 3.07Å; P270-Y274 VanDerWaalsContact O-N 3.1Å; K271-Y274 PolarHBondContact O-N 2.73Å; Y274-K276 PolarHBondContact O-N 2.7Å; Y274-L277 PolarHBondContact O-N 3.33Å; Y274-T278 HydrophobicContact CD2-CG2 4.14Å; Y274-T278 HydrophobicContact CE1-CG2 4.15Å; Y274-T278 HydrophobicContact CE2-CG2 3.7Å; Y274-T278 PolarHBondContact O-N 2.85Å; Y274-T278 PolarHBondContact O-OG1 2.97Å
275D95.8Very high94.1Very high64 Ų6447.4 Ų47.434%0.34226%0.259SS..Hα-helixtrans-58.7-33.9176.8-69.6-17.8000111.7K271 F273 R279K271-D275 IonicContact NZ-OD1 2.75Å; K271-D275 PolarHBondContact NZ-OD1 3.19Å; K271-D275 IonicContact NZ-OD2 3.74Å; K271-D275 PolarHBondContact NZ-OD2 2.81Å; K271-D275 WeakPolarHBondContact O-CB 3.44Å; K271-D275 PolarHBondContact O-N 3.02Å; F273-D275 VanDerWaalsContact C-N 3.33Å; F273-D275 PolarHBondContact O-N 2.81Å; D275-R279 VanDerWaalsContact O-CB 3.24Å; D275-R279 WeakPolarHBondContact O-CB 3.42Å; D275-R279 PolarHBondContact O-N 2.93Å
276K95.8Very high94Very high91 Ų9146.6 Ų46.640%0.39626%0.256SS..Hα-helixtrans-75.8-40.4-179.9-69.5173.3-172.8175.10112.3I131 T272 F273 Y274I131-K276 HydrophobicContact CD1-CB 3.72Å; I131-K276 HydrophobicContact CG1-CB 4.16Å; I131-K276 HydrophobicContact CG2-CD 3.95Å; T272-K276 WeakPolarHBondContact O-CD 3.44Å; T272-K276 WeakPolarHBondContact O-CE 3.04Å; T272-K276 WeakPolarHBondContact O-CG 3.48Å; F273-K276 WeakPolarHBondContact O-CB 3.41Å; F273-K276 PolarHBondContact O-N 3.47Å; Y274-K276 PolarHBondContact O-N 2.7Å
277L95.3Very high93.8Very high0 Ų050.8 Ų50.80%027%0.271CS..Hα-helixtrans-62.5-46.6174-71.5174.6000110.9K129 I131 F136 S138 F153 F273 Y274K129-L277 HydrophobicContact CB-CD2 4.4Å; I131-L277 HydrophobicContact CD1-CD2 3.56Å; I131-L277 HydrophobicContact CD1-CG 3.78Å; F136-L277 HydrophobicContact CB-CD2 3.72Å; S138-L277 WeakPolarHBondContact CB-O 3.45Å; F153-L277 HydrophobicContact CD1-CD1 4.33Å; F153-L277 HydrophobicContact CE1-CD1 3.56Å; F153-L277 HydrophobicContact CE2-CB 4.19Å; F153-L277 HydrophobicContact CE2-CD1 4.09Å; F153-L277 HydrophobicContact CZ-CB 3.91Å; F153-L277 HydrophobicContact CZ-CD1 3.42Å; F153-L277 VanDerWaalsContact CZ-CD1 3.42Å; F153-L277 HydrophobicContact CZ-CG 4.32Å; F273-L277 HydrophobicContact CD1-CD1 3.9Å; F273-L277 HydrophobicContact CD1-CG 4.36Å; F273-L277 HydrophobicContact CE1-CD1 3.53Å; F273-L277 HydrophobicContact CE1-CD2 4.47Å; F273-L277 HydrophobicContact CE1-CG 4.04Å; F273-L277 HydrophobicContact CZ-CD1 4.28Å; F273-L277 HydrophobicContact CZ-CD2 4.46Å; F273-L277 HydrophobicContact CZ-CG 4.4Å; F273-L277 PolarHBondContact O-N 2.69Å; F273-L277 VanDerWaalsContact O-N 3.09Å; Y274-L277 PolarHBondContact O-N 3.33Å
278T94.7Very high93.6Very high20 Ų2057.4 Ų57.412%0.12331%0.306CS..Hα-helixtrans-89.6-12.6-170.358.20000115.3F153 Y274 S280 L281 L286F153-T278 HydrophobicContact CE2-CG2 4.21Å; F153-T278 HydrophobicContact CZ-CG2 4.19Å; Y274-T278 HydrophobicContact CD2-CG2 4.14Å; Y274-T278 HydrophobicContact CE1-CG2 4.15Å; Y274-T278 HydrophobicContact CE2-CG2 3.7Å; Y274-T278 PolarHBondContact O-N 2.85Å; Y274-T278 PolarHBondContact O-OG1 2.97Å; T278-S280 PolarHBondContact O-N 3.18Å; T278-L281 PolarHBondContact O-N 3.29Å; T278-L286 HydrophobicContact CG2-CD1 3.83Å
279R91.5Very high93.5Very high221 Ų22161.4 Ų61.483%0.83433%0.325SS*.THydrogen-bonded Turntrans-46.9-32.2-176.1173.7175.8-80.1-153.6-4.8115.7D275D275-R279 VanDerWaalsContact O-CB 3.24Å; D275-R279 WeakPolarHBondContact O-CB 3.42Å; D275-R279 PolarHBondContact O-N 2.93Å
280S86.4Confident93.4Very high70 Ų7061.7 Ų61.749%0.4933%0.326SS..THydrogen-bonded Turntrans-106.68.9-177.953.60000114.5K129 T278K129-S280 PolarHBondContact NZ-OG 3.09Å; T278-S280 PolarHBondContact O-N 3.18Å
281L90.4Very high93.2Very high14 Ų1460.3 Ų60.37%0.07332%0.317CS..SBendtrans-106.9126.7-176.2-63.9176.4000110.7S138 F139 T278 S283 L286S138-L281 WeakPolarHBondContact O-CD1 3.4Å; F139-L281 HydrophobicContact CB-CD1 4Å; F139-L281 HydrophobicContact CB-CD2 4.43Å; T278-L281 PolarHBondContact O-N 3.29Å; L281-S283 PolarHBondContact O-N 2.88Å; L281-L286 HydrophobicContact CB-CD1 4.37Å; L281-L286 HydrophobicContact CB-CD2 4.27Å; L281-L286 HydrophobicContact CB-CG 4.2Å; L281-L286 HydrophobicContact CD1-CD2 3.76Å
282P92.1Very high93Very high82 Ų8260 Ų6053%0.53231%0.314SS..  trans-59.4132.3172-2333.7000111G284 Q285 L286P282-G284 PolarHBondContact O-N 3.31Å; P282-G284 VanDerWaalsContact O-N 3.13Å; P282-Q285 HydrophobicContact CB-CB 4.3Å; P282-Q285 WeakPolarHBondContact O-CB 3.31Å; P282-Q285 PolarHBondContact O-N 3.36Å; P282-L286 PolarHBondContact O-N 3.48Å
283S88.8Confident92.5Very high97 Ų9757.7 Ų57.768%0.67830%0.301SS*.Hα-helixtrans-59.3-29.8-179.7-45.70000112.8L281 R287L281-S283 PolarHBondContact O-N 2.88Å; S283-R287 WeakPolarHBondContact O-CB 3.39Å; S283-R287 PolarHBondContact O-N 2.84Å
284G90.7Very high91.7Very high43 Ų4362.1 Ų62.144%0.44333%0.325SS..Hα-helixtrans-64.3-36.5172.500000113.6P282 R287 L288P282-G284 PolarHBondContact O-N 3.31Å; P282-G284 VanDerWaalsContact O-N 3.13Å; G284-R287 PolarHBondContact O-N 2.87Å; G284-L288 WeakPolarHBondContact O-CB 3.49Å; G284-L288 WeakPolarHBondContact O-CG 3.26Å; G284-L288 PolarHBondContact O-N 3.36Å
285Q91.7Very high90.4Very high48 Ų4862.4 Ų62.422%0.22433%0.329CS..Hα-helixtrans-67.3-47175.9173.6162.743.600111F139 P282 R287 L288 Q289F139-Q285 HydrophobicContact CD2-CG 4.32Å; F139-Q285 HydrophobicContact CE1-CG 4.46Å; F139-Q285 HydrophobicContact CE2-CG 3.76Å; F139-Q285 HydrophobicContact CZ-CG 3.85Å; P282-Q285 HydrophobicContact CB-CB 4.3Å; P282-Q285 WeakPolarHBondContact O-CB 3.31Å; P282-Q285 PolarHBondContact O-N 3.36Å; Q285-R287 VanDerWaalsContact C-N 3.3Å; Q285-R287 PolarHBondContact O-N 3.2Å; Q285-L288 PolarHBondContact O-N 2.78Å; Q285-Q289 VanDerWaalsContact NE2-OE1 3.14Å; Q285-Q289 PolarHBondContact O-N 3.43Å
286L92.2Very high88.7Confident7 Ų766.5 Ų66.54%0.03734%0.344CS..Hα-helixtrans-57.7-43.1173.8-65.3178.3000111.6F139 V246 T278 L281 P282 M290 R292F139-L286 HydrophobicContact CD2-CD2 4.07Å; V246-L286 HydrophobicContact CG1-CD1 4.45Å; V246-L286 HydrophobicContact CG1-CD2 4.13Å; T278-L286 HydrophobicContact CG2-CD1 3.83Å; L281-L286 HydrophobicContact CB-CD1 4.37Å; L281-L286 HydrophobicContact CB-CD2 4.27Å; L281-L286 HydrophobicContact CB-CG 4.2Å; L281-L286 HydrophobicContact CD1-CD2 3.76Å; P282-L286 PolarHBondContact O-N 3.48Å; L286-M290 WeakPolarHBondContact O-CB 3.45Å; L286-R292 PolarHBondContact O-NH2 3.14Å
287R91.2Very high86Confident87 Ų8770.6 Ų70.633%0.32838%0.377SS..Hα-helixtrans-68.7-44.5-179.8-168170-178.8-117.3-2.1112.8G247 D252 S283 G284 Q285 R292G247-R287 WeakPolarHBondContact O-CB 3.36Å; G247-R287 WeakPolarHBondContact O-CG 3.43Å; D252-R287 IonicContact OD1-NH2 3.55Å; D252-R287 IonicContact OD2-CZ 2.63Å; D252-R287 IonicContact OD2-NE 2.76Å; D252-R287 PolarHBondContact OD2-NE 3.15Å; D252-R287 IonicContact OD2-NH2 2.77Å; D252-R287 PolarHBondContact OD2-NH2 3.25Å; S283-R287 WeakPolarHBondContact O-CB 3.39Å; S283-R287 PolarHBondContact O-N 2.84Å; G284-R287 PolarHBondContact O-N 2.87Å; Q285-R287 VanDerWaalsContact C-N 3.3Å; Q285-R287 PolarHBondContact O-N 3.2Å; R287-R292 PolarHBondContact O-NH1 2.89Å; R287-R292 PolarHBondContact O-NH2 3.43Å
288L92.1Very high85.5Confident139 Ų13974.2 Ų74.273%0.72840%0.396SS*.Hα-helixtrans-95.1-31.7-168-63.1174.2000114.8G284 Q285G284-L288 WeakPolarHBondContact O-CB 3.49Å; G284-L288 WeakPolarHBondContact O-CG 3.26Å; G284-L288 PolarHBondContact O-N 3.36Å; Q285-L288 PolarHBondContact O-N 2.78Å
289Q94.2Very high85Confident86 Ų8677 Ų7740%0.40241%0.41SS..Hα-helixtrans-115.3-12.9-169-63.2-178-3300114.2F139 E141 G142 Q285 D291F139-Q289 HydrophobicContact CE2-CB 4.23Å; F139-Q289 HydrophobicContact CZ-CB 3.63Å; E141-Q289 WeakPolarHBondContact CA-O 3.48Å; G142-Q289 PolarHBondContact N-O 2.75Å; Q285-Q289 VanDerWaalsContact NE2-OE1 3.14Å; Q285-Q289 PolarHBondContact O-N 3.43Å; Q289-D291 PolarHBondContact O-N 3.12Å
290M94.4Very high84.7Confident7 Ų769 Ų693%0.03439%0.387CS..BIsolated β-bridgetrans-62.3135.9178.1-170.770.7-147.500110.5F139 V140 F153 V246 L286 R292F139-M290 HydrophobicContact CD2-SD 3.58Å; F139-M290 VanDerWaalsContact CD2-SD 3.58Å; F139-M290 HydrophobicContact CE2-CB 4.04Å; F139-M290 HydrophobicContact CE2-SD 3.98Å; F139-M290 HydrophobicContact CG-SD 4.34Å; V140-M290 HydrophobicContact CB-CE 3.75Å; V140-M290 HydrophobicContact CG2-CE 4.09Å; V140-M290 CarbonylContact O-C 3.54Å; V140-M290 WeakPolarHBondContact O-CA 3.36Å; F153-M290 HydrophobicContact CB-CE 3.83Å; V246-M290 HydrophobicContact CB-CG 4.46Å; L286-M290 WeakPolarHBondContact O-CB 3.45Å; M290-R292 PolarHBondContact O-N 3.36Å; M290-R292 PolarHBondContact O-NH1 3.35Å
291D94Very high84.6Confident9 Ų968.9 Ų68.95%0.04838%0.38CS..  trans-58.3136.1175.4-177.636.1000111.6V140 A147 R152 N244 Q289 S293V140-D291 HydrophobicContact CB-CB 4.45Å; V140-D291 HydrophobicContact CG1-CB 4.28Å; V140-D291 PolarHBondContact O-N 3.25Å; A147-D291 HydrophobicContact CB-CB 4.05Å; R152-D291 IonicContact CZ-OD2 2.89Å; R152-D291 IonicContact NH1-OD2 2.69Å; R152-D291 PolarHBondContact NH1-OD2 2.96Å; N244-D291 WeakPolarHBondContact CB-O 3.47Å; Q289-D291 PolarHBondContact O-N 3.12Å; D291-S293 VanDerWaalsContact CG-OG 3.32Å; D291-S293 WeakPolarHBondContact OD1-CB 3.45Å; D291-S293 PolarHBondContact OD1-N 3.18Å; D291-S293 PolarHBondContact OD1-OG 3.07Å; D291-S293 PolarHBondContact OD2-OG 3.07Å
292R92.1Very high84.2Confident53 Ų5372.4 Ų72.420%0.240%0.4CS..  trans-134.318.8177.4-60.9-170.8173.7803.1112.2N244 V246 L286 R287 M290 L294N244-R292 HydrophobicContact CB-CG 4.43Å; N244-R292 WeakPolarHBondContact O-CG 3.44Å; V246-R292 PolarHBondContact O-NH2 3.43Å; L286-R292 PolarHBondContact O-NH2 3.14Å; R287-R292 PolarHBondContact O-NH1 2.89Å; R287-R292 PolarHBondContact O-NH2 3.43Å; M290-R292 PolarHBondContact O-N 3.36Å; M290-R292 PolarHBondContact O-NH1 3.35Å; R292-L294 PolarHBondContact O-N 2.86Å
293S85.6Confident83.7Confident38 Ų3871.7 Ų71.727%0.26639%0.391SS..PPolyproline II helixtrans-54.5136.6168.365.20000110.2R152 D291R152-S293 PolarHBondContact NH1-OG 3.4Å; R152-S293 PolarHBondContact NH2-O 3.4Å; R152-S293 VanDerWaalsContact NH2-O 3.17Å; R152-S293 PolarHBondContact NH2-OG 3.17Å; R152-S293 VanDerWaalsContact NH2-OG 3.17Å; D291-S293 VanDerWaalsContact CG-OG 3.32Å; D291-S293 WeakPolarHBondContact OD1-CB 3.45Å; D291-S293 PolarHBondContact OD1-N 3.18Å; D291-S293 PolarHBondContact OD1-OG 3.07Å; D291-S293 PolarHBondContact OD2-OG 3.07Å
294L80.9Confident83.3Confident106 Ų10669.9 Ų69.956%0.55537%0.37SS*.PPolyproline II helixtrans-64.4146.5162.6-70171.9000108.2Q243 R292 F296Q243-L294 HydrophobicContact CB-CD2 3.77Å; Q243-L294 HydrophobicContact CG-CD2 4.34Å; R292-L294 PolarHBondContact O-N 2.86Å; L294-F296 PolarHBondContact O-N 3.01Å
295P69.3Low82.8Confident28 Ų2872 Ų7218%0.18237%0.365CS..PPolyproline II helixtrans-60140170.929.7-35.8000109C104 I105 V297C104-P295 HydrophobicContact CB-CB 4.26Å; C104-P295 VanDerWaalsContact SG-CB 3.59Å; C104-P295 VanDerWaalsContact SG-CG 3.54Å; I105-P295 HydrophobicContact CG1-CG 4.39Å; P295-V297 PolarHBondContact O-N 2.83Å
296F59.6Low82Confident150 Ų15074 Ų7466%0.65838%0.376SS*.PPolyproline II helixtrans-59.5137.9173-60.3-80.8000109.4C104 L294C104-F296 PolarHBondContact SG-O 3.18Å; L294-F296 PolarHBondContact O-N 3.01Å
297V38.8Very low81.1Confident178 Ų17880.1 Ų80.1100%1.07941%0.407SS*.  trans-92.90179.5-174.50000109.4P295P295-V297 PolarHBondContact O-N 2.83Å

Retrieved 297 of 297 residues in 52.3 ms (Link to these results)