A0A087XYR5_POEFO Loading...

E2f-associated phosphoprotein

AlphaFold DB , UniProt , Accession A0A087XYR5, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 290 aa.

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Site Residue pLDDT pLDDT confidence pLDDT10 pLDDT10 confidence SASA SASA [Ų] SASA10 SASA10 [Ų] RSA RSA unformatted RSA10 RSA10 unformatted Surface Surface10 (not used) Disorder (not used) Disorder Sec. str. Secondary structure Isomer Phi (φ) Psi (ψ) Omega (ω) Chi 1 (χ1) Chi 2 (χ2) Chi 3 (χ3) Chi 4 (χ4) Chi 5 (χ5) Tau (τ) Contacts (colored by PAE) Contact details
1M36.3Very low43.8Very low245 Ų245170.5 Ų170.5100%1.20786%0.857SS**  0111.40-80149173.600108.8
2N43.3Very low43.8Very low155 Ų155164.8 Ų164.883%0.82985%0.845SS**  trans-18141.4166.8-51.5-16.9000116.4
3K42.8Very low43.9Very low213 Ų213168.5 Ų168.593%0.92684%0.844SS**  -156.5113.4122.4-101.7165.2-162.1-167.10110.3
4L45.5Very low44.5Very low173 Ų173169.2 Ų169.291%0.90684%0.843SS**  trans-67.3132.2172.9-141.876.2000108.9
5S41.7Very low44.8Very low111 Ų111167.1 Ų167.178%0.77683%0.834SS**  trans-123.4106.7165.753.20000108.7
6K48.5Very low45.1Very low178 Ų178167.8 Ų167.877%0.77483%0.834SS**  trans-56149.1168.3-82176.1169-179.50110.4
7P48Very low45.4Very low128 Ų128167.9 Ų167.983%0.83183%0.831SS**  -114127.3126.412.64.5000109.4
8Q47.4Very low45.3Very low152 Ų152165.3 Ų165.371%0.7183%0.829SS**  trans-82.2156.4166.5-168.1169.1-18.600108
9E47.9Very low45.7Very low180 Ų180161.7 Ų161.784%0.84182%0.821SS**  trans95.983168.2-54.9-178.7173.400116.1
10F37.9Very low45.9Very low206 Ų206160.8 Ų160.890%0.90482%0.818SS**  trans-136.4107.4137.7-162.8-97.7000108.8S12F10-S12 PolarHBondContact O-N 2.97Å
11D41.9Very low46.3Very low135 Ų135161.3 Ų161.372%0.72282%0.818SS**  trans-11.8102.7165-138.2-1.8000115.7
12S44.1Very low46.9Very low102 Ų102157.8 Ų157.871%0.71380%0.798SS**  trans-79.2113.716553.80000107.9F10 E14F10-S12 PolarHBondContact O-N 2.97Å; S12-E14 PolarHBondContact O-N 2.97Å
13Y45Very low46.9Very low213 Ų213160 Ų16084%0.83580%0.795SS**  trans-52.2112.4168.8-93.9-106.1000109.5I15Y13-I15 PolarHBondContact O-N 3.23Å; Y13-I15 VanDerWaalsContact O-N 3.1Å
14E52Low46.9Very low178 Ų178153.5 Ų153.583%0.83278%0.781SS**  trans-65.9102.1159.2-87.2176.9155.100107.1S12 E16S12-E14 PolarHBondContact O-N 2.97Å; E14-E16 PolarHBondContact O-N 3.14Å
15I49Very low46.8Very low138 Ų138154.2 Ų154.271%0.70878%0.78SS**  trans-80.299.1159.7-71164.3000104.6Y13 E17Y13-I15 PolarHBondContact O-N 3.23Å; Y13-I15 VanDerWaalsContact O-N 3.1Å; I15-E17 VanDerWaalsContact C-N 3.33Å; I15-E17 HydrophobicContact CG2-CG 4.07Å; I15-E17 PolarHBondContact O-N 3.21Å
16E50.7Low46.5Very low177 Ų177152.2 Ų152.283%0.82777%0.766SS**  trans-65.799.5161.1-74.2-177.7158.800106.8E14 P18E14-E16 PolarHBondContact O-N 3.14Å; E16-P18 VanDerWaalsContact O-CD 3.32Å; E16-P18 WeakPolarHBondContact O-CD 3.48Å
17E49.1Very low46.5Very low170 Ų170149.8 Ų149.879%0.79477%0.772SS**  trans-68.1118.1164.7-69.1-172140.700107.7I15 S19I15-E17 VanDerWaalsContact C-N 3.33Å; I15-E17 HydrophobicContact CG2-CG 4.07Å; I15-E17 PolarHBondContact O-N 3.21Å; E17-S19 PolarHBondContact O-N 3.25Å; E17-S19 VanDerWaalsContact O-N 3.1Å
18P44.5Very low46.4Very low122 Ų122147.3 Ų147.379%0.79276%0.757SS**  trans-68.1111.1163.712.8-2.8000107.3E16 D20E16-P18 VanDerWaalsContact O-CD 3.32Å; E16-P18 WeakPolarHBondContact O-CD 3.48Å; P18-D20 PolarHBondContact O-N 3.15Å
19S52.5Low46.3Very low96 Ų96145.3 Ų145.367%0.67175%0.748SS**  trans-56.1100.4168.3-174.40000109.3E17 E21E17-S19 PolarHBondContact O-N 3.25Å; E17-S19 VanDerWaalsContact O-N 3.1Å; S19-E21 PolarHBondContact O-N 3.19Å
20D50.8Low46.9Very low144 Ų144142.6 Ų142.677%0.7774%0.739SS**  trans-76.274.9170.8-16915.9000108.9P18 E22P18-D20 PolarHBondContact O-N 3.15Å; D20-E22 VanDerWaalsContact C-N 3.26Å; D20-E22 PolarHBondContact O-N 3.11Å
21E53.1Low48.6Very low171 Ų171136.9 Ų136.980%0.79972%0.715SS**  trans-90.551.5166.5-76.2-170.7147.300110.3S19S19-E21 PolarHBondContact O-N 3.19Å
22E48.4Very low49.9Very low172 Ų172136.3 Ų136.380%0.80471%0.711SS**  trans-99.278.9164.3-65.4-91.6155.500107.3D20 A24D20-E22 VanDerWaalsContact C-N 3.26Å; D20-E22 PolarHBondContact O-N 3.11Å; E22-A24 PolarHBondContact O-N 3.31Å
23R44.8Very low51.5Low200 Ų200135.3 Ų135.376%0.75570%0.698SS**  trans-58.5105.2169.4-175.3176.5-159.9147.33.4107.7E25 E29R23-E25 PolarHBondContact O-N 3.17Å; R23-E29 IonicContact NE-OE2 3.61Å; R23-E29 IonicContact NH2-OE2 3.87Å
24A41.6Very low53.1Low78 Ų78126.7 Ų126.765%0.64567%0.667SS**  trans-59.5103.3167.200000107.9E22 S26E22-A24 PolarHBondContact O-N 3.31Å; A24-S26 PolarHBondContact O-N 3.24Å
25E42.8Very low54.2Low187 Ų187121.8 Ų121.887%0.87465%0.647SS**  trans-68.469.5163.3-67.5-178.5169.900107.9R23R23-E25 PolarHBondContact O-N 3.17Å
26S37.1Very low55.6Low70 Ų70121.5 Ų121.549%0.4965%0.646SS.*  trans-77.9120.4169.6-176.60000107.3A24 S28 E29A24-S26 PolarHBondContact O-N 3.24Å; S26-S28 PolarHBondContact O-N 3.23Å; S26-S28 PolarHBondContact OG-OG 2.73Å; S26-E29 PolarHBondContact O-N 3.2Å
27S47.3Very low57Low127 Ų127118.9 Ų118.989%0.88864%0.637SS**THydrogen-bonded Turntrans-58.322.4-178.1-1740000116
28S46.9Very low58.5Low75 Ų75111.5 Ų111.552%0.52461%0.607SS.*THydrogen-bonded Turntrans-114.6-4.6177.359.80000113.6S26 D30S26-S28 PolarHBondContact O-N 3.23Å; S26-S28 PolarHBondContact OG-OG 2.73Å; S28-D30 VanDerWaalsContact C-N 3.31Å
29E44.1Very low60.5Low110 Ų110108.7 Ų108.751%0.51459%0.588SS.*SBendtrans-78.2-12.9179.9-60.4-151.3125.600113.8R23 S26 E31 D33R23-E29 IonicContact NE-OE2 3.61Å; R23-E29 IonicContact NH2-OE2 3.87Å; S26-E29 PolarHBondContact O-N 3.2Å; E29-E31 PolarHBondContact O-N 3.5Å; E29-D33 PolarHBondContact O-N 3.42Å
30D61.5Low61.9Low123 Ų123108.5 Ų108.566%0.65858%0.584SS**Hα-helixtrans-73.8-27.2-174.6-135.111.4000112.6S28 V34S28-D30 VanDerWaalsContact C-N 3.31Å; D30-V34 WeakPolarHBondContact O-CB 2.93Å; D30-V34 WeakPolarHBondContact O-CG2 3.31Å; D30-V34 PolarHBondContact O-N 2.83Å
31E73.6Confident63.3Low87 Ų87108.9 Ų108.941%0.40758%0.581SS.*Hα-helixtrans-70.1-41.4178.4-65.4-174.5-167.800112.6E29 L35 L46 Y50E29-E31 PolarHBondContact O-N 3.5Å; E31-L35 WeakPolarHBondContact O-CG 2.94Å; E31-L35 PolarHBondContact O-N 3.25Å; E31-L35 VanDerWaalsContact O-N 3.11Å; E31-L46 HydrophobicContact CB-CD2 4.44Å; E31-L46 HydrophobicContact CG-CD1 4.31Å; E31-Y50 PolarHBondContact OE2-OH 3.12Å
32L70.3Confident64.5Low122 Ų122105.3 Ų105.364%0.63957%0.565SS**Hα-helixtrans-72.5-35.8-179.5-67.7177.8000111.4L35 L36L32-L35 PolarHBondContact O-N 2.91Å; L32-L36 PolarHBondContact O-N 2.79Å
33D75.8Confident66.3Low82 Ų82100 Ų10044%0.43954%0.539SS..Hα-helixtrans-72.5-33.7176-159.734.8000111.8E29 L35 L36 N37 G38E29-D33 PolarHBondContact O-N 3.42Å; D33-L35 VanDerWaalsContact C-N 3.33Å; D33-L35 PolarHBondContact O-N 2.91Å; D33-L36 PolarHBondContact O-N 2.61Å; D33-N37 CarbonylContact O-C 3.46Å; D33-N37 WeakPolarHBondContact O-CA 3.49Å; D33-N37 WeakPolarHBondContact O-CB 3.4Å; D33-N37 PolarHBondContact O-N 3.29Å; D33-N37 WeakPolarHBondContact OD1-CB 3.28Å; D33-N37 VanDerWaalsContact OD1-CG 3.31Å; D33-N37 PolarHBondContact OD1-ND2 3.32Å; D33-G38 PolarHBondContact O-N 3.39Å; D33-G38 VanDerWaalsContact O-N 3.1Å
34V78.5Confident68Low31 Ų3197.7 Ų97.719%0.18853%0.534CS..Hα-helixtrans-62.7-39.6170169.10000111.4D30 G38 Q42 K43 L46D30-V34 WeakPolarHBondContact O-CB 2.93Å; D30-V34 WeakPolarHBondContact O-CG2 3.31Å; D30-V34 PolarHBondContact O-N 2.83Å; V34-G38 VanDerWaalsContact O-CA 3.25Å; V34-G38 WeakPolarHBondContact O-CA 3.47Å; V34-G38 PolarHBondContact O-N 3.47Å; V34-G38 VanDerWaalsContact O-N 3.07Å; V34-Q42 HydrophobicContact CG1-CB 3.81Å; V34-K43 VanDerWaalsContact O-CE 3.32Å; V34-K43 WeakPolarHBondContact O-CE 3.4Å; V34-K43 WeakPolarHBondContact O-CG 3.13Å; V34-L46 HydrophobicContact CB-CD2 4.27Å; V34-L46 HydrophobicContact CG1-CB 4.35Å; V34-L46 HydrophobicContact CG1-CD2 3.97Å
35L76.9Confident69.9Low76 Ų7699.8 Ų99.840%0.39853%0.529SS..Hα-helixtrans-70.6-38.3177-73.9171000113.4E31 L32 D33 K43 L46E31-L35 WeakPolarHBondContact O-CG 2.94Å; E31-L35 PolarHBondContact O-N 3.25Å; E31-L35 VanDerWaalsContact O-N 3.11Å; L32-L35 PolarHBondContact O-N 2.91Å; D33-L35 VanDerWaalsContact C-N 3.33Å; D33-L35 PolarHBondContact O-N 2.91Å; L35-K43 WeakPolarHBondContact O-CE 3.21Å; L35-K43 PolarHBondContact O-NZ 2.83Å; L35-L46 HydrophobicContact CD1-CD2 4.26Å; L35-L46 HydrophobicContact CD2-CD2 3.98Å; L35-L46 HydrophobicContact CG-CD2 3.71Å
36L77.9Confident71.6Confident132 Ų13291.9 Ų91.969%0.69149%0.492SS*.Hα-helixtrans-80.4-54.4179.4-107.769000111.4L32 D33 K43L32-L36 PolarHBondContact O-N 2.79Å; D33-L36 PolarHBondContact O-N 2.61Å; L36-K43 PolarHBondContact O-NZ 3.39Å
37N80.1Confident73.7Confident121 Ų12192.7 Ų92.765%0.64749%0.49SS*.Hα-helixtrans-114.9-11.3-164.8-61.1-8.6000114.4D33D33-N37 CarbonylContact O-C 3.46Å; D33-N37 WeakPolarHBondContact O-CA 3.49Å; D33-N37 WeakPolarHBondContact O-CB 3.4Å; D33-N37 PolarHBondContact O-N 3.29Å; D33-N37 WeakPolarHBondContact OD1-CB 3.28Å; D33-N37 VanDerWaalsContact OD1-CG 3.31Å; D33-N37 PolarHBondContact OD1-ND2 3.32Å
38G80.3Confident75.3Confident15 Ų1594.9 Ų94.916%0.15548%0.479CS..SBendtrans-64.7163.7-179.100000114.9D33 V34 K43D33-G38 PolarHBondContact O-N 3.39Å; D33-G38 VanDerWaalsContact O-N 3.1Å; V34-G38 VanDerWaalsContact O-CA 3.25Å; V34-G38 WeakPolarHBondContact O-CA 3.47Å; V34-G38 PolarHBondContact O-N 3.47Å; V34-G38 VanDerWaalsContact O-N 3.07Å; G38-K43 WeakPolarHBondContact O-CE 3.48Å
39T86.3Confident76.7Confident63 Ų6394.4 Ų94.439%0.38747%0.469SS..  trans-67.2154.6174.669.50000110.6E41 Q42 K43T39-E41 PolarHBondContact O-N 3.3Å; T39-Q42 PolarHBondContact O-N 3.46Å; T39-Q42 WeakPolarHBondContact OG1-CG 3.26Å; T39-Q42 PolarHBondContact OG1-N 3.16Å; T39-Q42 PolarHBondContact OG1-OE1 3.08Å; T39-K43 PolarHBondContact O-N 3.44Å
40P81.8Confident78.2Confident92 Ų9297 Ų9760%0.59748%0.475SS*.Hα-helixtrans-59.4-22.5179.323.2-34.8000113.5K44P40-K44 WeakPolarHBondContact O-CB 3.44Å; P40-K44 VanDerWaalsContact O-CG 3.26Å; P40-K44 WeakPolarHBondContact O-CG 3.46Å; P40-K44 PolarHBondContact O-N 2.89Å
41E80.1Confident78.9Confident153 Ų15397.9 Ų97.972%0.71548%0.479SS*.Hα-helixtrans-75.8-41.7174.9-71.1153-170.900111.6T39 K44 K45T39-E41 PolarHBondContact O-N 3.3Å; E41-K44 PolarHBondContact O-N 2.81Å; E41-K45 WeakPolarHBondContact O-CB 3.43Å; E41-K45 PolarHBondContact O-N 2.95Å
42Q79.4Confident78.8Confident95 Ų9597.5 Ų97.544%0.44448%0.483SS..Hα-helixtrans-64.1-43.5174.1-69.8169.2-3300111.4V34 T39 K44 K45 L46V34-Q42 HydrophobicContact CG1-CB 3.81Å; T39-Q42 PolarHBondContact O-N 3.46Å; T39-Q42 WeakPolarHBondContact OG1-CG 3.26Å; T39-Q42 PolarHBondContact OG1-N 3.16Å; T39-Q42 PolarHBondContact OG1-OE1 3.08Å; Q42-K44 VanDerWaalsContact C-N 3.34Å; Q42-K44 PolarHBondContact O-N 3.46Å; Q42-K45 PolarHBondContact O-N 2.79Å; Q42-L46 WeakPolarHBondContact O-CB 3.36Å; Q42-L46 PolarHBondContact O-N 3.34Å
43K85.3Confident78.4Confident61 Ų6194.6 Ų94.627%0.26548%0.483SS..Hα-helixtrans-59.7-43.4175.2-64.7-173.4-166.1-1570112V34 L35 L36 G38 T39 I47V34-K43 VanDerWaalsContact O-CE 3.32Å; V34-K43 WeakPolarHBondContact O-CE 3.4Å; V34-K43 WeakPolarHBondContact O-CG 3.13Å; L35-K43 WeakPolarHBondContact O-CE 3.21Å; L35-K43 PolarHBondContact O-NZ 2.83Å; L36-K43 PolarHBondContact O-NZ 3.39Å; G38-K43 WeakPolarHBondContact O-CE 3.48Å; T39-K43 PolarHBondContact O-N 3.44Å; K43-I47 WeakPolarHBondContact O-CB 3.48Å; K43-I47 WeakPolarHBondContact O-CD1 3.16Å; K43-I47 WeakPolarHBondContact O-CG1 3.28Å; K43-I47 PolarHBondContact O-N 3.17Å
44K81.6Confident77.4Confident152 Ų15297.9 Ų97.966%0.66150%0.495SS*.Hα-helixtrans-67.7-35.5177.2-77.9175.6-178.8178.40112.6P40 E41 Q42 R48P40-K44 WeakPolarHBondContact O-CB 3.44Å; P40-K44 VanDerWaalsContact O-CG 3.26Å; P40-K44 WeakPolarHBondContact O-CG 3.46Å; P40-K44 PolarHBondContact O-N 2.89Å; E41-K44 PolarHBondContact O-N 2.81Å; Q42-K44 VanDerWaalsContact C-N 3.34Å; Q42-K44 PolarHBondContact O-N 3.46Å; K44-R48 WeakPolarHBondContact O-CB 3.41Å; K44-R48 PolarHBondContact O-N 3.01Å
45K80.4Confident76.2Confident121 Ų12199.4 Ų99.453%0.52651%0.507SS..Hα-helixtrans-65.7-47.7176.5-166.2177.5-177177.30110.5E41 Q42 I47 R48 E49 E56E41-K45 WeakPolarHBondContact O-CB 3.43Å; E41-K45 PolarHBondContact O-N 2.95Å; Q42-K45 PolarHBondContact O-N 2.79Å; K45-I47 PolarHBondContact O-N 3.12Å; K45-R48 WeakPolarHBondContact O-CB 3.46Å; K45-R48 PolarHBondContact O-N 2.94Å; K45-E49 PolarHBondContact O-N 2.91Å; K45-E56 WeakPolarHBondContact CE-OE2 3.35Å; K45-E56 IonicContact NZ-OE2 2.83Å; K45-E56 PolarHBondContact NZ-OE2 2.68Å
46L79.3Confident74.6Confident21 Ų21103.6 Ų103.611%0.1153%0.525CS..Hα-helixtrans-62.8-41.9177.8-169.170.8000112.5E31 V34 L35 Q42 R48 E49 Y50E31-L46 HydrophobicContact CB-CD2 4.44Å; E31-L46 HydrophobicContact CG-CD1 4.31Å; V34-L46 HydrophobicContact CB-CD2 4.27Å; V34-L46 HydrophobicContact CG1-CB 4.35Å; V34-L46 HydrophobicContact CG1-CD2 3.97Å; L35-L46 HydrophobicContact CD1-CD2 4.26Å; L35-L46 HydrophobicContact CD2-CD2 3.98Å; L35-L46 HydrophobicContact CG-CD2 3.71Å; Q42-L46 WeakPolarHBondContact O-CB 3.36Å; Q42-L46 PolarHBondContact O-N 3.34Å; L46-R48 VanDerWaalsContact C-N 3.35Å; L46-R48 PolarHBondContact O-N 3.07Å; L46-E49 PolarHBondContact O-N 2.68Å; L46-Y50 HydrophobicContact CD1-CE2 4.48Å; L46-Y50 PolarHBondContact O-N 3.49Å; L46-Y50 VanDerWaalsContact O-N 3.09Å
47I81.5Confident73Confident87 Ų87101.7 Ų101.745%0.44652%0.523SS..Hα-helixtrans-66.6-37.5176.3-69.1165.7000111.6K43 K45 L51K43-I47 WeakPolarHBondContact O-CB 3.48Å; K43-I47 WeakPolarHBondContact O-CD1 3.16Å; K43-I47 WeakPolarHBondContact O-CG1 3.28Å; K43-I47 PolarHBondContact O-N 3.17Å; K45-I47 PolarHBondContact O-N 3.12Å; I47-L51 HydrophobicContact CG2-CD1 3.7Å; I47-L51 HydrophobicContact CG2-CG 4.49Å; I47-L51 WeakPolarHBondContact O-CB 3.38Å; I47-L51 WeakPolarHBondContact O-CG 3.49Å; I47-L51 PolarHBondContact O-N 2.92Å; I47-L51 VanDerWaalsContact O-N 3.17Å
48R79.8Confident71.7Confident173 Ų173101.7 Ų101.765%0.65353%0.532SS*.Hα-helixtrans-63.2-47.6175.8176.5177.8-66-167.7-2.9110.4K44 K45 L46 Y50 L51 T52K44-R48 WeakPolarHBondContact O-CB 3.41Å; K44-R48 PolarHBondContact O-N 3.01Å; K45-R48 WeakPolarHBondContact O-CB 3.46Å; K45-R48 PolarHBondContact O-N 2.94Å; L46-R48 VanDerWaalsContact C-N 3.35Å; L46-R48 PolarHBondContact O-N 3.07Å; R48-Y50 VanDerWaalsContact C-N 3.35Å; R48-Y50 PolarHBondContact O-N 3.4Å; R48-L51 PolarHBondContact O-N 3.31Å; R48-T52 PolarHBondContact O-N 3.41Å; R48-T52 PolarHBondContact O-OG1 3.35Å
49E76.9Confident70.2Confident66 Ų66106.1 Ų106.131%0.30856%0.561SS.*Hα-helixtrans-55.5-46.8177.6-176.5170.1-165.200112K45 L46 L51 G53 S55K45-E49 PolarHBondContact O-N 2.91Å; L46-E49 PolarHBondContact O-N 2.68Å; E49-L51 VanDerWaalsContact C-N 3.29Å; E49-L51 PolarHBondContact O-N 3.3Å; E49-G53 VanDerWaalsContact O-CA 3.24Å; E49-G53 WeakPolarHBondContact O-CA 3.24Å; E49-G53 PolarHBondContact O-N 3.47Å; E49-S55 VanDerWaalsContact OE1-CB 3.26Å; E49-S55 WeakPolarHBondContact OE1-CB 3.5Å; E49-S55 PolarHBondContact OE1-OG 2.82Å
50Y75.4Confident68.5Low165 Ų165109.3 Ų109.365%0.64757%0.571SS**Hα-helixtrans-65.3-26.9175.8-96.2-97.3000114.6E31 L46 R48E31-Y50 PolarHBondContact OE2-OH 3.12Å; L46-Y50 HydrophobicContact CD1-CE2 4.48Å; L46-Y50 PolarHBondContact O-N 3.49Å; L46-Y50 VanDerWaalsContact O-N 3.09Å; R48-Y50 VanDerWaalsContact C-N 3.35Å; R48-Y50 PolarHBondContact O-N 3.4Å
51L74.9Confident67.6Low140 Ų140110.8 Ų110.873%0.73357%0.574SS**Hα-helixtrans-93.9-31.7-176.3-75.2170.1000113.5I47 R48 E49I47-L51 HydrophobicContact CG2-CD1 3.7Å; I47-L51 HydrophobicContact CG2-CG 4.49Å; I47-L51 WeakPolarHBondContact O-CB 3.38Å; I47-L51 WeakPolarHBondContact O-CG 3.49Å; I47-L51 PolarHBondContact O-N 2.92Å; I47-L51 VanDerWaalsContact O-N 3.17Å; R48-L51 PolarHBondContact O-N 3.31Å; E49-L51 VanDerWaalsContact C-N 3.29Å; E49-L51 PolarHBondContact O-N 3.3Å
52T72.1Confident67.4Low79 Ų79111.5 Ų111.549%0.48558%0.577SS.*Hα-helixtrans-110.3-12.5-177.560.70000113.4R48 E54R48-T52 PolarHBondContact O-N 3.41Å; R48-T52 PolarHBondContact O-OG1 3.35Å; T52-E54 PolarHBondContact O-N 2.74Å
53G62.9Low67.4Low62 Ų62113.1 Ų113.164%0.63958%0.583SS**  trans67.210.6-178.900000114.1E49 S55E49-G53 VanDerWaalsContact O-CA 3.24Å; E49-G53 WeakPolarHBondContact O-CA 3.24Å; E49-G53 PolarHBondContact O-N 3.47Å; G53-S55 PolarHBondContact O-N 3.3Å
54E53.7Low67.3Low150 Ų150115.2 Ų115.270%0.70159%0.594SS**  trans-92.584.7-178.3-65.5-176.6135.200109.8T52T52-E54 PolarHBondContact O-N 2.74Å
55S54.3Low67.5Low64 Ų64115 Ų11545%0.44859%0.593SS.*  trans-82.8131167-49.60000109.6E49 G53 S57E49-S55 VanDerWaalsContact OE1-CB 3.26Å; E49-S55 WeakPolarHBondContact OE1-CB 3.5Å; E49-S55 PolarHBondContact OE1-OG 2.82Å; G53-S55 PolarHBondContact O-N 3.3Å; S55-S57 PolarHBondContact O-N 3.16Å
56E43.4Very low68Low163 Ų163114.6 Ų114.676%0.76259%0.593SS**  trans-77.823.2174.9-56.3177.7127.700112.7K45 S58K45-E56 WeakPolarHBondContact CE-OE2 3.35Å; K45-E56 IonicContact NZ-OE2 2.83Å; K45-E56 PolarHBondContact NZ-OE2 2.68Å; E56-S58 PolarHBondContact O-N 3.21Å
57S43.6Very low68.5Low93 Ų93117.8 Ų117.865%0.6561%0.608SS**  trans-91.682.3177.9-73.30000110.4S55 S59S55-S57 PolarHBondContact O-N 3.16Å; S57-S59 VanDerWaalsContact C-N 3.28Å; S57-S59 PolarHBondContact O-N 2.89Å
58S53.1Low69Low121 Ų121120.5 Ų120.585%0.84662%0.619SS**THydrogen-bonded Turntrans-74.158.1-178.9173.70000114.3E56E56-S58 PolarHBondContact O-N 3.21Å
59S47.7Very low69.5Low107 Ų107114.9 Ų114.975%0.74861%0.61SS**THydrogen-bonded Turntrans-136.9-2.4169.461.20000115.7S57S57-S59 VanDerWaalsContact C-N 3.28Å; S57-S59 PolarHBondContact O-N 2.89Å
60E51.8Low70.3Confident130 Ų130117.7 Ų117.761%0.60762%0.623SS**SBendtrans-98.3-1.3-178.3-157.6148.890.900113.5E64E60-E64 HydrophobicContact CG-CG 4.2Å; E60-E64 WeakPolarHBondContact O-CB 3.4Å; E60-E64 WeakPolarHBondContact O-CG 3.44Å; E60-E64 PolarHBondContact O-N 2.93Å
61D62.8Low70.9Confident124 Ų124114.5 Ų114.566%0.66362%0.617SS**Hα-helixtrans-86.5-16.4-173.7-157.526.2000113.7K65D61-K65 WeakPolarHBondContact O-CB 3.44Å
62E75.7Confident71.6Confident167 Ų167110.9 Ų110.978%0.7860%0.603SS**Hα-helixtrans-85.9-41.6175.9-169.4175.3-16900111.6E66E62-E66 WeakPolarHBondContact O-CB 3.43Å; E62-E66 PolarHBondContact O-N 2.92Å
63F79.1Confident72.4Confident129 Ų129110.4 Ų110.457%0.56660%0.603SS**Hα-helixtrans-72.4-43.8-179.3-178.8-105.4000112.4K65 E66 M67F63-K65 VanDerWaalsContact C-N 3.26Å; F63-K65 PolarHBondContact O-N 2.8Å; F63-E66 PolarHBondContact O-N 3.03Å; F63-M67 HydrophobicContact CD1-CE 4.4Å; F63-M67 HydrophobicContact CE1-CE 3.56Å; F63-M67 HydrophobicContact CZ-CE 3.92Å; F63-M67 WeakPolarHBondContact O-CB 3.4Å; F63-M67 PolarHBondContact O-N 3.26Å
64E82.9Confident73.7Confident105 Ų105111.1 Ų111.149%0.49160%0.595SS.*Hα-helixtrans-62.6-37.7175.4-72.5-173.816000111.6E60 M67 E68E60-E64 HydrophobicContact CG-CG 4.2Å; E60-E64 WeakPolarHBondContact O-CB 3.4Å; E60-E64 WeakPolarHBondContact O-CG 3.44Å; E60-E64 PolarHBondContact O-N 2.93Å; E64-M67 PolarHBondContact O-N 3.15Å; E64-E68 WeakPolarHBondContact O-CB 3.47Å; E64-E68 PolarHBondContact O-N 3.11Å
65K86.9Confident75.3Confident149 Ų149108.3 Ų108.365%0.64858%0.584SS**Hα-helixtrans-70.8-36.3177-172.5175-173.6170.70112.9D61 F63 A69D61-K65 WeakPolarHBondContact O-CB 3.44Å; F63-K65 VanDerWaalsContact C-N 3.26Å; F63-K65 PolarHBondContact O-N 2.8Å; K65-A69 VanDerWaalsContact O-CB 3.28Å; K65-A69 WeakPolarHBondContact O-CB 3.45Å; K65-A69 PolarHBondContact O-N 3.06Å
66E90.8Very high76.8Confident111 Ų111114.7 Ų114.752%0.51960%0.598SS.*Hα-helixtrans-64.4-46.1171-176.6173.6-155.700110.4E62 F63 E68 A69 E70E62-E66 WeakPolarHBondContact O-CB 3.43Å; E62-E66 PolarHBondContact O-N 2.92Å; F63-E66 PolarHBondContact O-N 3.03Å; E66-E68 PolarHBondContact O-N 3.24Å; E66-A69 CarbonylContact O-C 3.59Å; E66-A69 WeakPolarHBondContact O-CB 3.35Å; E66-A69 PolarHBondContact O-N 2.84Å; E66-A69 VanDerWaalsContact O-N 3.15Å; E66-E70 WeakPolarHBondContact O-CG 3.41Å; E66-E70 PolarHBondContact O-N 3.39Å
67M90.2Very high78.8Confident88 Ų88111.2 Ų111.243%0.43359%0.588SS.*Hα-helixtrans-59.2-45.4176-178.1-175.6-6500111.8F63 E64 A69 E70 L71F63-M67 HydrophobicContact CD1-CE 4.4Å; F63-M67 HydrophobicContact CE1-CE 3.56Å; F63-M67 HydrophobicContact CZ-CE 3.92Å; F63-M67 WeakPolarHBondContact O-CB 3.4Å; F63-M67 PolarHBondContact O-N 3.26Å; E64-M67 PolarHBondContact O-N 3.15Å; M67-A69 VanDerWaalsContact C-N 3.31Å; M67-A69 PolarHBondContact O-N 2.77Å; M67-E70 PolarHBondContact O-N 3.06Å; M67-L71 HydrophobicContact CG-CD1 3.95Å; M67-L71 HydrophobicContact CG-CG 4.43Å; M67-L71 WeakPolarHBondContact O-CB 3.49Å; M67-L71 VanDerWaalsContact O-CG 3.28Å; M67-L71 WeakPolarHBondContact O-CG 3.4Å; M67-L71 PolarHBondContact O-N 3.07Å
68E90.3Very high80.3Confident144 Ų144112.2 Ų112.267%0.67358%0.584SS**Hα-helixtrans-67.4-34177.8-172.5152.6-137.900111.8E64 E66 S72E64-E68 WeakPolarHBondContact O-CB 3.47Å; E64-E68 PolarHBondContact O-N 3.11Å; E66-E68 PolarHBondContact O-N 3.24Å; E68-S72 VanDerWaalsContact O-CB 3.25Å; E68-S72 WeakPolarHBondContact O-CB 3.21Å; E68-S72 PolarHBondContact O-N 3.28Å; E68-S72 PolarHBondContact O-OG 3.23Å
69A91.9Very high81.3Confident56 Ų56112.4 Ų112.446%0.46357%0.572SS.*Hα-helixtrans-66.4-40.7171.800000112.3K65 E66 M67 S72 S73K65-A69 VanDerWaalsContact O-CB 3.28Å; K65-A69 WeakPolarHBondContact O-CB 3.45Å; K65-A69 PolarHBondContact O-N 3.06Å; E66-A69 CarbonylContact O-C 3.59Å; E66-A69 WeakPolarHBondContact O-CB 3.35Å; E66-A69 PolarHBondContact O-N 2.84Å; E66-A69 VanDerWaalsContact O-N 3.15Å; M67-A69 VanDerWaalsContact C-N 3.31Å; M67-A69 PolarHBondContact O-N 2.77Å; A69-S72 WeakPolarHBondContact CA-OG 3.23Å; A69-S72 PolarHBondContact O-OG 2.76Å; A69-S72 VanDerWaalsContact O-OG 3.05Å; A69-S73 WeakPolarHBondContact O-CB 3.46Å; A69-S73 PolarHBondContact O-N 2.88Å
70E92.3Very high82.1Confident124 Ų124110.3 Ų110.358%0.57957%0.567SS**Hα-helixtrans-67.7-43.5176.1-73.2-162.1154.200112E66 M67 S73 T74E66-E70 WeakPolarHBondContact O-CG 3.41Å; E66-E70 PolarHBondContact O-N 3.39Å; M67-E70 PolarHBondContact O-N 3.06Å; E70-S73 PolarHBondContact O-N 2.78Å; E70-T74 WeakPolarHBondContact O-CB 3.16Å; E70-T74 PolarHBondContact O-N 2.82Å; E70-T74 PolarHBondContact O-OG1 3.18Å
71L88.4Confident82.7Confident98 Ų98109.5 Ų109.551%0.51357%0.571SS.*Hα-helixtrans-62.2-48.4176.3-74.8170.2000111.1M67 S73 T74 I75M67-L71 HydrophobicContact CG-CD1 3.95Å; M67-L71 HydrophobicContact CG-CG 4.43Å; M67-L71 WeakPolarHBondContact O-CB 3.49Å; M67-L71 VanDerWaalsContact O-CG 3.28Å; M67-L71 WeakPolarHBondContact O-CG 3.4Å; M67-L71 PolarHBondContact O-N 3.07Å; L71-S73 PolarHBondContact O-N 2.86Å; L71-T74 PolarHBondContact O-N 2.96Å; L71-I75 VanDerWaalsContact O-CG1 3.3Å; L71-I75 WeakPolarHBondContact O-CG1 3.34Å; L71-I75 PolarHBondContact O-N 3.27Å
72S89.2Confident82.2Confident65 Ų65113.8 Ų113.846%0.45558%0.578SS.*Hα-helixtrans-65.4-37.4178.758.80000112.6E68 A69 R76E68-S72 VanDerWaalsContact O-CB 3.25Å; E68-S72 WeakPolarHBondContact O-CB 3.21Å; E68-S72 PolarHBondContact O-N 3.28Å; E68-S72 PolarHBondContact O-OG 3.23Å; A69-S72 WeakPolarHBondContact CA-OG 3.23Å; A69-S72 PolarHBondContact O-OG 2.76Å; A69-S72 VanDerWaalsContact O-OG 3.05Å; S72-R76 VanDerWaalsContact O-CB 3.29Å; S72-R76 WeakPolarHBondContact O-CB 3.44Å; S72-R76 PolarHBondContact O-N 3.46Å
73S90.3Very high80.9Confident69 Ų69107.9 Ų107.948%0.48356%0.562SS.*Hα-helixtrans-62-43.4172.3-176.20000112.1A69 E70 L71 R76 T77A69-S73 WeakPolarHBondContact O-CB 3.46Å; A69-S73 PolarHBondContact O-N 2.88Å; E70-S73 PolarHBondContact O-N 2.78Å; L71-S73 PolarHBondContact O-N 2.86Å; S73-R76 PolarHBondContact O-N 2.86Å; S73-T77 WeakPolarHBondContact O-CB 3.3Å; S73-T77 PolarHBondContact O-N 2.76Å; S73-T77 PolarHBondContact O-OG1 3.5Å
74T88.9Confident79.4Confident77 Ų77107.9 Ų107.947%0.47258%0.575SS.*Hα-helixtrans-64.2-48.4178.3-570000111.2E70 L71 R76 T77 M78E70-T74 WeakPolarHBondContact O-CB 3.16Å; E70-T74 PolarHBondContact O-N 2.82Å; E70-T74 PolarHBondContact O-OG1 3.18Å; L71-T74 PolarHBondContact O-N 2.96Å; T74-R76 VanDerWaalsContact C-N 3.32Å; T74-R76 PolarHBondContact O-N 3.4Å; T74-T77 WeakPolarHBondContact O-CB 3.28Å; T74-T77 PolarHBondContact O-N 2.99Å; T74-T77 VanDerWaalsContact O-N 3.16Å; T74-M78 HydrophobicContact CG2-SD 4.3Å; T74-M78 WeakPolarHBondContact O-CG 3.41Å; T74-M78 PolarHBondContact O-N 3.49Å
75I87.7Confident77.2Confident90 Ų90107.1 Ų107.146%0.46259%0.587SS.*Hα-helixtrans-58.4-45.8176.9-69.5165.2000110.3L71 T77 M78 E79L71-I75 VanDerWaalsContact O-CG1 3.3Å; L71-I75 WeakPolarHBondContact O-CG1 3.34Å; L71-I75 PolarHBondContact O-N 3.27Å; I75-T77 VanDerWaalsContact C-N 3.29Å; I75-T77 PolarHBondContact O-N 3.27Å; I75-M78 PolarHBondContact O-N 2.92Å; I75-E79 HydrophobicContact CG2-CG 4.23Å; I75-E79 WeakPolarHBondContact O-CB 3.48Å; I75-E79 VanDerWaalsContact O-CG 3.31Å; I75-E79 WeakPolarHBondContact O-CG 3.41Å; I75-E79 PolarHBondContact O-N 3.42Å
76R86.3Confident74.9Confident198 Ų198104.9 Ų104.975%0.74760%0.596SS**Hα-helixtrans-64.2-33.7179.4-157.3177.8-156.9174.86.6113S72 S73 T74 G80S72-R76 VanDerWaalsContact O-CB 3.29Å; S72-R76 WeakPolarHBondContact O-CB 3.44Å; S72-R76 PolarHBondContact O-N 3.46Å; S73-R76 PolarHBondContact O-N 2.86Å; T74-R76 VanDerWaalsContact C-N 3.32Å; T74-R76 PolarHBondContact O-N 3.4Å; R76-G80 PolarHBondContact O-N 3.13Å
77T85.8Confident72.4Confident90 Ų90106.8 Ų106.855%0.55261%0.61SS**Hα-helixtrans-69-42.8175.3-55.90000111S73 T74 I75 G80 T81S73-T77 WeakPolarHBondContact O-CB 3.3Å; S73-T77 PolarHBondContact O-N 2.76Å; S73-T77 PolarHBondContact O-OG1 3.5Å; T74-T77 WeakPolarHBondContact O-CB 3.28Å; T74-T77 PolarHBondContact O-N 2.99Å; T74-T77 VanDerWaalsContact O-N 3.16Å; I75-T77 VanDerWaalsContact C-N 3.29Å; I75-T77 PolarHBondContact O-N 3.27Å; T77-G80 PolarHBondContact O-N 3Å; T77-T81 PolarHBondContact O-N 2.89Å; T77-T81 PolarHBondContact O-OG1 3.35Å
78M74.9Confident70.1Confident114 Ų114108 Ų10856%0.56262%0.624SS**Hα-helixtrans-62.6-51173.8-66.5177.8115.500110T74 I75 G80 T81 W82T74-M78 HydrophobicContact CG2-SD 4.3Å; T74-M78 WeakPolarHBondContact O-CG 3.41Å; T74-M78 PolarHBondContact O-N 3.49Å; I75-M78 PolarHBondContact O-N 2.92Å; M78-G80 VanDerWaalsContact C-N 3.28Å; M78-G80 PolarHBondContact O-N 3.34Å; M78-T81 WeakPolarHBondContact O-CA 3.39Å; M78-T81 VanDerWaalsContact O-CB 3.25Å; M78-T81 WeakPolarHBondContact O-CB 3.46Å; M78-T81 PolarHBondContact O-N 3.49Å; M78-W82 PolarHBondContact O-N 2.87Å
79E74.6Confident67.7Low126 Ų126108.3 Ų108.359%0.58964%0.636SS**Hα-helixtrans-56.7-37.1178.3-72.6176.8165.400113.5I75 T81 W82 G83I75-E79 HydrophobicContact CG2-CG 4.23Å; I75-E79 WeakPolarHBondContact O-CB 3.48Å; I75-E79 VanDerWaalsContact O-CG 3.31Å; I75-E79 WeakPolarHBondContact O-CG 3.41Å; I75-E79 PolarHBondContact O-N 3.42Å; E79-T81 PolarHBondContact O-N 2.94Å; E79-W82 PolarHBondContact O-N 3.26Å; E79-G83 PolarHBondContact O-N 2.81Å
80G63.5Low64.9Low63 Ų63109.2 Ų109.265%0.64965%0.651SS**Hα-helixtrans-66.7-24.2173.800000114.1R76 T77 M78R76-G80 PolarHBondContact O-N 3.13Å; T77-G80 PolarHBondContact O-N 3Å; M78-G80 VanDerWaalsContact C-N 3.28Å; M78-G80 PolarHBondContact O-N 3.34Å
81T63.5Low62.1Low112 Ų112107.5 Ų107.569%0.68767%0.667SS**Hα-helixtrans-81.3-24.4176.3-51.50000111.8T77 M78 E79T77-T81 PolarHBondContact O-N 2.89Å; T77-T81 PolarHBondContact O-OG1 3.35Å; M78-T81 WeakPolarHBondContact O-CA 3.39Å; M78-T81 VanDerWaalsContact O-CB 3.25Å; M78-T81 WeakPolarHBondContact O-CB 3.46Å; M78-T81 PolarHBondContact O-N 3.49Å; E79-T81 PolarHBondContact O-N 2.94Å
82W54.2Low59.4Low214 Ų214106.6 Ų106.681%0.81168%0.681SS**SBendtrans-95.52.7179.8-60.8105.6000114.2M78 E79M78-W82 PolarHBondContact O-N 2.87Å; E79-W82 PolarHBondContact O-N 3.26Å
83G47.5Very low56.7Low44 Ų44109.5 Ų109.545%0.45470%0.701SS.*SBendtrans-70.6136.4173.700000111.8E79 A85E79-G83 PolarHBondContact O-N 2.81Å; G83-A85 PolarHBondContact O-N 3.38Å
84P46.5Very low54.2Low128 Ų128111.2 Ų111.283%0.83172%0.72SS**PPolyproline II helixtrans-62.3123.9179.125.9-32.3000109.3A86P84-A86 PolarHBondContact O-N 3.08Å; P84-A86 VanDerWaalsContact O-N 3.11Å
85A36.7Very low51.5Low90 Ų90110.7 Ų110.774%0.74473%0.73SS**PPolyproline II helixtrans-55.3119.1167.700000108.1G83 D87G83-A85 PolarHBondContact O-N 3.38Å; A85-D87 PolarHBondContact O-N 2.66Å
86A40.4Very low49Very low102 Ų102111.6 Ų111.684%0.84375%0.75SS**  trans-63.6103.217100000108.3P84P84-A86 PolarHBondContact O-N 3.08Å; P84-A86 VanDerWaalsContact O-N 3.11Å
87D37.3Very low46.7Very low151 Ų151107.4 Ų107.481%0.80775%0.751SS**PPolyproline II helixtrans-68.6132.9174.9-98.6-36000111A85A85-D87 PolarHBondContact O-N 2.66Å
88P42.6Very low43.9Very low112 Ų112108.1 Ų108.173%0.72776%0.759SS**PPolyproline II helixtrans-76141.2159.332.3-29000109.8
89T39.9Very low42.4Very low151 Ų151109.7 Ų109.793%0.92677%0.774SS**PPolyproline II helixtrans-48.2132.1179.5-360000114
90G32Very low41.6Very low75 Ų75108 Ų10877%0.77378%0.777SS**  trans16175.2160.400000119.7
91G33.4Very low41.6Very low89 Ų89114.1 Ų114.192%0.91879%0.786SS**  trans55122.8136.900000122.9
92G31.9Very low41.8Very low78 Ų78112.4 Ų112.480%0.80478%0.776SS**  trans139.280.1140.100000119.6
93S33.7Very low43Very low127 Ų127109.6 Ų109.689%0.88877%0.772SS**  trans50131.9140.1-1590000123.4
94A36.8Very low44.5Very low105 Ų105111.6 Ų111.687%0.86877%0.771SS**  trans96.186.3151.100000118.2
95G31.8Very low46.2Very low66 Ų66110.1 Ų110.168%0.6875%0.749SS**  trans-17988.116200000108S97G95-S97 PolarHBondContact O-N 2.99Å
96A36.6Very low48.3Very low108 Ų108111 Ų11189%0.89374%0.742SS**  trans-71.379.3-179.300000110.2C98A96-C98 PolarHBondContact O-N 3.06Å; A96-C98 VanDerWaalsContact O-N 3.16Å
97S36.7Very low49.7Very low110 Ų110114 Ų11477%0.76974%0.736SS**  trans-71.7101.1160.4-54.50000106.6G95 V99G95-S97 PolarHBondContact O-N 2.99Å; S97-V99 PolarHBondContact O-N 3.37Å
98C28.3Very low51.3Low106 Ų106111.4 Ų111.472%0.71673%0.725SS**  trans-56.9113.7170.749.80000108.1A96 S100A96-C98 PolarHBondContact O-N 3.06Å; A96-C98 VanDerWaalsContact O-N 3.16Å; C98-S100 PolarHBondContact O-N 3.1Å
99V41.6Very low52.8Low146 Ų146114 Ų11489%0.88572%0.721SS**  trans-71.179.7163.7-176.90000105.8S97S97-V99 PolarHBondContact O-N 3.37Å
100S59.5Low54.2Low92 Ų92111 Ų11164%0.64370%0.696SS**PPolyproline II helixtrans-64.6131.9170.341.30000107.4C98C98-S100 PolarHBondContact O-N 3.1Å
101K63Low55.7Low191 Ų191112.6 Ų112.683%0.8369%0.686SS**PPolyproline II helixtrans-53140.3173.6-66.4168.2-178.8169.10108.2Q103K101-Q103 PolarHBondContact O-N 2.96Å; K101-Q103 VanDerWaalsContact O-N 3.13Å
102P67.7Low57.1Low76 Ų76114.2 Ų114.249%0.49468%0.684SS.*PPolyproline II helixtrans-50.8125179.118.2-30000108.9M104 I132P102-M104 HydrophobicContact CG-CE 4.08Å; P102-M104 WeakPolarHBondContact O-CG 3.33Å; P102-M104 PolarHBondContact O-N 3.1Å; P102-I132 HydrophobicContact CB-CG1 4.4Å; P102-I132 HydrophobicContact CB-CG2 3.99Å
103Q78.1Confident58.2Low154 Ų154118.2 Ų118.272%0.7269%0.687SS**PPolyproline II helixtrans-63.3125.9-179.3-161.5168.8-3.300106.9K101 V133K101-Q103 PolarHBondContact O-N 2.96Å; K101-Q103 VanDerWaalsContact O-N 3.13Å; Q103-V133 HydrophobicContact CB-CB 4.48Å; Q103-V133 HydrophobicContact CB-CG2 4.43Å; Q103-V133 WeakPolarHBondContact O-CB 3.33Å; Q103-V133 VanDerWaalsContact O-CG2 3.32Å; Q103-V133 WeakPolarHBondContact O-CG2 3.47Å; Q103-V133 PolarHBondContact O-N 2.99Å
104M80.6Confident59Low87 Ų87115.2 Ų115.243%0.42967%0.666SS.*BIsolated β-bridgetrans-110.6142.9-177.4-63-100.3179.500108.5P102 R131 I132P102-M104 HydrophobicContact CG-CE 4.08Å; P102-M104 WeakPolarHBondContact O-CG 3.33Å; P102-M104 PolarHBondContact O-N 3.1Å; M104-R131 CarbonylContact C-O 3.55Å; M104-R131 WeakPolarHBondContact CA-O 3.41Å; M104-R131 HydrophobicContact SD-CB 4.01Å; M104-I132 HydrophobicContact CE-CD1 4.06Å; M104-I132 HydrophobicContact CE-CG1 3.3Å; M104-I132 HydrophobicContact SD-CB 4.42Å; M104-I132 HydrophobicContact SD-CG1 3.65Å
105Y82.3Confident59.7Low97 Ų97119.1 Ų119.138%0.3867%0.666SS.*  trans-59.3145.6172.2-74.2-75.7000110.9F110 R131 V133Y105-F110 HydrophobicContact CD2-CE2 4.46Å; Y105-F110 HydrophobicContact CG-CE2 4.4Å; Y105-R131 PolarHBondContact N-O 2.69Å; Y105-V133 HydrophobicContact CD1-CG2 4.12Å; Y105-V133 HydrophobicContact CD2-CG2 3.74Å; Y105-V133 HydrophobicContact CE1-CG2 4.06Å; Y105-V133 HydrophobicContact CE2-CB 4.13Å; Y105-V133 HydrophobicContact CE2-CG1 4.39Å; Y105-V133 HydrophobicContact CE2-CG2 3.69Å; Y105-V133 HydrophobicContact CG-CG2 3.96Å
106D80.8Confident60.8Low108 Ų108123 Ų12358%0.57867%0.671SS**  trans-61.2144.8-179.4-163.91.3000110.7V108 Y109D106-V108 HydrophobicContact CB-CG2 4.08Å; D106-V108 PolarHBondContact O-N 2.91Å; D106-V108 WeakPolarHBondContact OD2-CG2 3.17Å; D106-Y109 VanDerWaalsContact O-CB 3.28Å; D106-Y109 WeakPolarHBondContact O-CB 3.31Å; D106-Y109 PolarHBondContact O-N 2.75Å
107K69Low61.4Low166 Ų166123.7 Ų123.772%0.72266%0.66SS**G310 helixtrans-63.2-32.1-174.9-64175.9-177177.80111.9Y109 F110K107-Y109 PolarHBondContact O-N 2.95Å; K107-F110 PolarHBondContact O-N 2.81Å
108V72.1Confident61.9Low95 Ų95125.6 Ų125.658%0.57666%0.661SS**G310 helixtrans-66.4-22.4175.1-92.70000113.4D106 F110 D111D106-V108 HydrophobicContact CB-CG2 4.08Å; D106-V108 PolarHBondContact O-N 2.91Å; D106-V108 WeakPolarHBondContact OD2-CG2 3.17Å; V108-F110 VanDerWaalsContact C-N 3.31Å; V108-F110 PolarHBondContact O-N 3Å; V108-D111 PolarHBondContact O-N 3.18Å
109Y73.5Confident62.9Low167 Ų167124.7 Ų124.766%0.65565%0.653SS**G310 helixtrans-69-29.1178.6-176.6-98.5000112.8D106 K107D106-Y109 VanDerWaalsContact O-CB 3.28Å; D106-Y109 WeakPolarHBondContact O-CB 3.31Å; D106-Y109 PolarHBondContact O-N 2.75Å; K107-Y109 PolarHBondContact O-N 2.95Å
110F68.9Low63.1Low88 Ų88124.2 Ų124.239%0.38665%0.653SS.*G310 helixtrans-101.42.3-179.8-79.4-90000113.8Y105 K107 V108 S112 R131Y105-F110 HydrophobicContact CD2-CE2 4.46Å; Y105-F110 HydrophobicContact CG-CE2 4.4Å; K107-F110 PolarHBondContact O-N 2.81Å; V108-F110 VanDerWaalsContact C-N 3.31Å; V108-F110 PolarHBondContact O-N 3Å; F110-S112 VanDerWaalsContact C-N 3.3Å; F110-S112 PolarHBondContact O-N 3.01Å; F110-R131 HydrophobicContact CD2-CG 4.15Å; F110-R131 HydrophobicContact CE2-CG 4.05Å
111D62.8Low62.8Low109 Ų109123.4 Ų123.458%0.58366%0.658SS**THydrogen-bonded Turntrans-80.6-6.5-171.9-157.622.8000113.5V108V108-D111 PolarHBondContact O-N 3.18Å
112S62.9Low62.3Low123 Ų123117.2 Ų117.286%0.8664%0.639SS**THydrogen-bonded Turntrans-91.8-6.6179.9-67.30000115F110F110-S112 VanDerWaalsContact C-N 3.3Å; F110-S112 PolarHBondContact O-N 3.01Å
113D55.4Low61.9Low162 Ų162116.3 Ų116.387%0.86664%0.635SS**SBendtrans-129.316.4178.9-159.223.9000112.5
114S50.6Low61.1Low64 Ų64114.1 Ų114.145%0.44863%0.632SS.*  trans-115.572.6179.9171.70000109.1D116S114-D116 PolarHBondContact O-N 3.33Å
115E52.2Low60.3Low186 Ų186114.2 Ų114.287%0.86963%0.634SS**  trans-58126.3155.6-60.2-169.4127.500107.1D117E115-D117 VanDerWaalsContact C-N 3.34Å; E115-D117 PolarHBondContact O-N 2.78Å
116D54Low59.4Low148 Ų148118.3 Ų118.379%0.79165%0.649SS**  trans-56.487-175-70.8-68.5000112.6S114 D118S114-D116 PolarHBondContact O-N 3.33Å; D116-D118 PolarHBondContact O-N 2.87Å
117D48.6Very low58.7Low123 Ų123118.3 Ų118.366%0.65864%0.641SS**  trans-94.985.3163.2-121.7-46.6000108.4E115 T119E115-D117 VanDerWaalsContact C-N 3.34Å; E115-D117 PolarHBondContact O-N 2.78Å; D117-T119 PolarHBondContact O-N 3.46Å; D117-T119 PolarHBondContact OD1-OG1 2.83Å
118D48.8Very low58.7Low150 Ų150118.3 Ų118.380%0.80264%0.637SS**  trans-66.559.1164.6-85.5-46.6000110.2D116 P120D116-D118 PolarHBondContact O-N 2.87Å; D118-P120 VanDerWaalsContact O-CD 3.3Å; D118-P120 WeakPolarHBondContact O-CD 3.39Å
119T49.5Very low58.5Low87 Ų87122.2 Ų122.253%0.53464%0.641SS.*  trans-83.1112.9170.8-18.40000109D117 G121D117-T119 PolarHBondContact O-N 3.46Å; D117-T119 PolarHBondContact OD1-OG1 2.83Å; T119-G121 PolarHBondContact O-N 3.35Å
120P45Very low58.2Low136 Ų136121 Ų12188%0.88364%0.641SS**THydrogen-bonded Turntrans-74.988.3-177.831-32.9000109.4D118D118-P120 VanDerWaalsContact O-CD 3.3Å; D118-P120 WeakPolarHBondContact O-CD 3.39Å
121G53.2Low58.6Low74 Ų74120.6 Ų120.676%0.76364%0.637SS**THydrogen-bonded Turntrans168.5-17178.400000116.2T119 S123T119-G121 PolarHBondContact O-N 3.35Å; G121-S123 PolarHBondContact O-N 2.99Å; G121-S123 VanDerWaalsContact O-N 3.12Å
122S53.2Low59.6Low62 Ų62118.3 Ų118.343%0.43462%0.624SS.*SBendtrans-74.7106.6174.8-169.60000109.3T124S122-T124 PolarHBondContact O-N 3.41Å
123S58.2Low60.5Low56 Ų56114.6 Ų114.639%0.39260%0.596SS.*  trans-46.7109.8-175.361.90000111.2G121 D125 R126G121-S123 PolarHBondContact O-N 2.99Å; G121-S123 VanDerWaalsContact O-N 3.12Å; S123-D125 PolarHBondContact O-N 3.45Å; S123-R126 PolarHBondContact O-N 3.01Å; S123-R126 WeakPolarHBondContact OG-CD 3.36Å; S123-R126 VanDerWaalsContact OG-CG 3.31Å; S123-R126 WeakPolarHBondContact OG-CG 3.31Å
124T62.4Low61.9Low108 Ų108108.6 Ų108.666%0.66357%0.566SS**Hα-helixtrans-53.1-2317950.30000112.8S122 R128S122-T124 PolarHBondContact O-N 3.41Å; T124-R128 WeakPolarHBondContact O-CG 3.44Å; T124-R128 PolarHBondContact O-N 2.88Å; T124-R128 VanDerWaalsContact O-N 3.14Å
125D62.5Low63.5Low90 Ų90108.5 Ų108.548%0.48157%0.565SS.*Hα-helixtrans-65.8-45174.9-146.7-73.9000113.4S123 R127 R128 R129S123-D125 PolarHBondContact O-N 3.45Å; D125-R127 PolarHBondContact O-N 2.95Å; D125-R128 WeakPolarHBondContact O-CB 3.25Å; D125-R128 PolarHBondContact O-N 3.16Å; D125-R128 VanDerWaalsContact O-N 3.12Å; D125-R129 WeakPolarHBondContact O-CG 3.44Å; D125-R129 PolarHBondContact O-N 2.95Å; D125-R129 IonicContact OD1-CZ 3.49Å; D125-R129 IonicContact OD1-NE 2.66Å; D125-R129 PolarHBondContact OD1-NE 2.89Å; D125-R129 IonicContact OD1-NH2 3.46Å
126R64.2Low65Low183 Ų183103 Ų10369%0.69154%0.542SS*.Hα-helixtrans-63.6-42.4177.3-76-175.8174.5-169.4-1.7112S123 R128 R129 Q130S123-R126 PolarHBondContact O-N 3.01Å; S123-R126 WeakPolarHBondContact OG-CD 3.36Å; S123-R126 VanDerWaalsContact OG-CG 3.31Å; S123-R126 WeakPolarHBondContact OG-CG 3.31Å; R126-R128 PolarHBondContact O-N 3.3Å; R126-R129 PolarHBondContact O-N 2.82Å; R126-Q130 WeakPolarHBondContact O-CG 3.4Å; R126-Q130 PolarHBondContact O-N 3.43Å; R126-Q130 VanDerWaalsContact O-N 3.08Å
127R66.6Low66.3Low107 Ų107102.6 Ų102.640%0.40454%0.54SS..Hα-helixtrans-67.2-23.4175.2-66.2-175.1-177.1-178.9-1.4112.9D125 R131D125-R127 PolarHBondContact O-N 2.95Å; R127-R131 PolarHBondContact O-NE 3.45Å
128R68.4Low68Low167 Ų167103 Ų10363%0.6354%0.538SS*.Hα-helixtrans-79.3-40.5172.5-79.7178.9-178.8-148.72.1111.1T124 D125 R126 Q130 R131 I132T124-R128 WeakPolarHBondContact O-CG 3.44Å; T124-R128 PolarHBondContact O-N 2.88Å; T124-R128 VanDerWaalsContact O-N 3.14Å; D125-R128 WeakPolarHBondContact O-CB 3.25Å; D125-R128 PolarHBondContact O-N 3.16Å; D125-R128 VanDerWaalsContact O-N 3.12Å; R126-R128 PolarHBondContact O-N 3.3Å; R128-Q130 PolarHBondContact O-N 3.3Å; R128-R131 PolarHBondContact O-N 3.29Å; R128-I132 PolarHBondContact O-N 3.1Å
129R67.3Low69.8Low177 Ų177100.8 Ų100.867%0.66853%0.525SS*.Hα-helixtrans-61.2-41.7176.4-71174.4-178.2-115.60.8112.6D125 R126 R131 I132D125-R129 WeakPolarHBondContact O-CG 3.44Å; D125-R129 PolarHBondContact O-N 2.95Å; D125-R129 IonicContact OD1-CZ 3.49Å; D125-R129 IonicContact OD1-NE 2.66Å; D125-R129 PolarHBondContact OD1-NE 2.89Å; D125-R129 IonicContact OD1-NH2 3.46Å; R126-R129 PolarHBondContact O-N 2.82Å; R129-R131 PolarHBondContact O-N 3Å; R129-I132 WeakPolarHBondContact O-CB 3.49Å; R129-I132 PolarHBondContact O-N 2.91Å
130Q68.3Low71.4Confident141 Ų141104.5 Ų104.566%0.65954%0.541SS*.THydrogen-bonded Turntrans-66.1-17.4176.3-72.2174.7-15.200114.7R126 R128R126-Q130 WeakPolarHBondContact O-CG 3.4Å; R126-Q130 PolarHBondContact O-N 3.43Å; R126-Q130 VanDerWaalsContact O-N 3.08Å; R128-Q130 PolarHBondContact O-N 3.3Å
131R76.4Confident73.5Confident80 Ų80104 Ų10430%0.30252%0.522SS..THydrogen-bonded Turntrans-95.9-5.2179.7-78.7-174.9-87.3-161.2-9.1113.3M104 Y105 F110 R127 R128 R129 V133M104-R131 CarbonylContact C-O 3.55Å; M104-R131 WeakPolarHBondContact CA-O 3.41Å; M104-R131 HydrophobicContact SD-CB 4.01Å; Y105-R131 PolarHBondContact N-O 2.69Å; F110-R131 HydrophobicContact CD2-CG 4.15Å; F110-R131 HydrophobicContact CE2-CG 4.05Å; R127-R131 PolarHBondContact O-NE 3.45Å; R128-R131 PolarHBondContact O-N 3.29Å; R129-R131 PolarHBondContact O-N 3Å; R131-V133 PolarHBondContact O-N 2.84Å
132I84.4Confident75Confident61 Ų61103.1 Ų103.131%0.31350%0.5SS..BIsolated β-bridgetrans-69.2127172.9-64.3168.5000107.1P102 M104 R128 R129 P134P102-I132 HydrophobicContact CB-CG1 4.4Å; P102-I132 HydrophobicContact CB-CG2 3.99Å; M104-I132 HydrophobicContact CE-CD1 4.06Å; M104-I132 HydrophobicContact CE-CG1 3.3Å; M104-I132 HydrophobicContact SD-CB 4.42Å; M104-I132 HydrophobicContact SD-CG1 3.65Å; R128-I132 PolarHBondContact O-N 3.1Å; R129-I132 WeakPolarHBondContact O-CB 3.49Å; R129-I132 PolarHBondContact O-N 2.91Å; I132-P134 VanDerWaalsContact O-CD 3.31Å; I132-P134 WeakPolarHBondContact O-CD 3.38Å
133V82.1Confident76.7Confident44 Ų44103 Ų10327%0.26750%0.498SS..PPolyproline II helixtrans-65.7120.5170.4178.90000107Q103 Y105 R131 S135Q103-V133 HydrophobicContact CB-CB 4.48Å; Q103-V133 HydrophobicContact CB-CG2 4.43Å; Q103-V133 WeakPolarHBondContact O-CB 3.33Å; Q103-V133 VanDerWaalsContact O-CG2 3.32Å; Q103-V133 WeakPolarHBondContact O-CG2 3.47Å; Q103-V133 PolarHBondContact O-N 2.99Å; Y105-V133 HydrophobicContact CD1-CG2 4.12Å; Y105-V133 HydrophobicContact CD2-CG2 3.74Å; Y105-V133 HydrophobicContact CE1-CG2 4.06Å; Y105-V133 HydrophobicContact CE2-CB 4.13Å; Y105-V133 HydrophobicContact CE2-CG1 4.39Å; Y105-V133 HydrophobicContact CE2-CG2 3.69Å; Y105-V133 HydrophobicContact CG-CG2 3.96Å; R131-V133 PolarHBondContact O-N 2.84Å; V133-S135 PolarHBondContact O-N 2.91Å
134P83.3Confident78.2Confident36 Ų36105 Ų10523%0.23450%0.504CS..PPolyproline II helixtrans-55.6139.2176.3-27.537.3000110.8I132 E138 L139I132-P134 VanDerWaalsContact O-CD 3.31Å; I132-P134 WeakPolarHBondContact O-CD 3.38Å; P134-E138 WeakPolarHBondContact CA-OE2 3.48Å; P134-E138 HydrophobicContact CB-CB 4.2Å; P134-E138 HydrophobicContact CB-CG 4.05Å; P134-L139 HydrophobicContact CB-CD1 4.45Å; P134-L139 HydrophobicContact CB-CD2 3.75Å; P134-L139 HydrophobicContact CB-CG 3.86Å; P134-L139 HydrophobicContact CG-CD2 4.25Å
135S84.4Confident79.5Confident62 Ų62104.5 Ų104.543%0.43449%0.494SS..PPolyproline II helixtrans-69158.2173.566.30000110.6V133 D137 E138 L139V133-S135 PolarHBondContact O-N 2.91Å; S135-D137 PolarHBondContact O-N 2.92Å; S135-E138 WeakPolarHBondContact O-CA 3.47Å; S135-E138 WeakPolarHBondContact O-CB 3.34Å; S135-E138 PolarHBondContact O-N 3.12Å; S135-E138 PolarHBondContact OG-N 3.39Å; S135-L139 PolarHBondContact O-N 3.49Å
136N85.1Confident80.8Confident71 Ų71105.7 Ų105.738%0.3850%0.501SS..THydrogen-bonded Turntrans-52.6-39.7174.3-84.6-4.7000112.1E138 L139 L140 Y141N136-E138 VanDerWaalsContact C-N 3.32Å; N136-E138 PolarHBondContact O-N 3.31Å; N136-L139 CarbonylContact O-C 3.59Å; N136-L139 PolarHBondContact O-N 3.14Å; N136-L139 VanDerWaalsContact O-N 3.16Å; N136-L140 PolarHBondContact O-N 2.97Å; N136-Y141 CarbonylContact C-O 3.52Å; N136-Y141 VanDerWaalsContact CB-O 3.31Å; N136-Y141 WeakPolarHBondContact CB-O 3.31Å; N136-Y141 PolarHBondContact O-N 3.34Å
137D80.7Confident82.1Confident140 Ų140102.5 Ų102.575%0.74950%0.497SS*.THydrogen-bonded Turntrans-64.2-34.6175.5-60-26000112.8S135 L140S135-D137 PolarHBondContact O-N 2.92Å; D137-L140 PolarHBondContact O-N 3.22Å
138E84.1Confident83.3Confident131 Ų131104.2 Ų104.261%0.61250%0.504SS*.THydrogen-bonded Turntrans-74.1-30.7175-174.5177.6179.500112P134 S135 N136 L140P134-E138 WeakPolarHBondContact CA-OE2 3.48Å; P134-E138 HydrophobicContact CB-CB 4.2Å; P134-E138 HydrophobicContact CB-CG 4.05Å; S135-E138 WeakPolarHBondContact O-CA 3.47Å; S135-E138 WeakPolarHBondContact O-CB 3.34Å; S135-E138 PolarHBondContact O-N 3.12Å; S135-E138 PolarHBondContact OG-N 3.39Å; N136-E138 VanDerWaalsContact C-N 3.32Å; N136-E138 PolarHBondContact O-N 3.31Å; E138-L140 PolarHBondContact O-N 3.16Å
139L85.8Confident84.3Confident103 Ų103100.7 Ų100.754%0.53950%0.497SS..THydrogen-bonded Turntrans-80.5-1.8173-64.2177000113P134 S135 N136 Y141P134-L139 HydrophobicContact CB-CD1 4.45Å; P134-L139 HydrophobicContact CB-CD2 3.75Å; P134-L139 HydrophobicContact CB-CG 3.86Å; P134-L139 HydrophobicContact CG-CD2 4.25Å; S135-L139 PolarHBondContact O-N 3.49Å; N136-L139 CarbonylContact O-C 3.59Å; N136-L139 PolarHBondContact O-N 3.14Å; N136-L139 VanDerWaalsContact O-N 3.16Å; L139-Y141 PolarHBondContact O-N 3.07Å; L139-Y141 VanDerWaalsContact O-N 3.15Å
140L84.8Confident85.3Confident166 Ų16696.3 Ų96.387%0.86949%0.485SS*.THydrogen-bonded Turntrans52.829.5-171.8-61.3162.7000112.1N136 D137 E138N136-L140 PolarHBondContact O-N 2.97Å; D137-L140 PolarHBondContact O-N 3.22Å; E138-L140 PolarHBondContact O-N 3.16Å
141Y87.3Confident86.3Confident125 Ų12592.4 Ų92.449%0.4948%0.476SS..  trans-107.1113-178.8179.6-112.2000109.4N136 L139 P143N136-Y141 CarbonylContact C-O 3.52Å; N136-Y141 VanDerWaalsContact CB-O 3.31Å; N136-Y141 WeakPolarHBondContact CB-O 3.31Å; N136-Y141 PolarHBondContact O-N 3.34Å; L139-Y141 PolarHBondContact O-N 3.07Å; L139-Y141 VanDerWaalsContact O-N 3.15Å; Y141-P143 HydrophobicContact CE1-CB 4.28Å; Y141-P143 WeakPolarHBondContact O-CD 3.44Å
142D86.4Confident86.8Confident55 Ų5596.5 Ų96.529%0.29449%0.492SS..  trans-91.3110.1173.3179.52.9000109.5D144 E145 R148D142-D144 PolarHBondContact O-N 2.97Å; D142-D144 PolarHBondContact OD1-N 2.81Å; D142-E145 HydrophobicContact CB-CB 4.06Å; D142-E145 PolarHBondContact O-N 2.92Å; D142-R148 IonicContact OD2-CZ 3.11Å; D142-R148 IonicContact OD2-NE 2.82Å; D142-R148 IonicContact OD2-NH2 3.97Å; D142-R148 PolarHBondContact OD2-NH2 3.25Å
143P88.5Confident86.9Confident59 Ų5995.6 Ų95.638%0.38349%0.489SS..THydrogen-bonded Turntrans-66.1-18.6179.930-36.9000113.5Y141Y141-P143 HydrophobicContact CE1-CB 4.28Å; Y141-P143 WeakPolarHBondContact O-CD 3.44Å
144D90.3Very high87Confident98 Ų9895.3 Ų95.352%0.52449%0.486SS..THydrogen-bonded Turntrans-98-2.3-176.4-61-32.6000112.4D142 D147 R148D142-D144 PolarHBondContact O-N 2.97Å; D142-D144 PolarHBondContact OD1-N 2.81Å; D144-D147 PolarHBondContact O-N 3.11Å; D144-R148 WeakPolarHBondContact O-CG 3.32Å; D144-R148 PolarHBondContact O-N 3.37Å
145E88.8Confident87.1Confident99 Ų9995.8 Ų95.846%0.46349%0.493SS..Hα-helixtrans-60.9-48.4-178.1-175.4166.6-145.100111.8D142 D147 R148 D149D142-E145 HydrophobicContact CB-CB 4.06Å; D142-E145 PolarHBondContact O-N 2.92Å; E145-D147 VanDerWaalsContact C-N 3.27Å; E145-D147 PolarHBondContact O-N 3.18Å; E145-R148 PolarHBondContact O-N 3.23Å; E145-R148 VanDerWaalsContact O-N 3.16Å; E145-D149 PolarHBondContact O-N 2.87Å
146D89.4Confident87.1Confident115 Ų11599.5 Ų99.562%0.61550%0.498SS*.Hα-helixtrans-58.7-39.3177.3-75.3-20.8000112D149 Q150D146-D149 PolarHBondContact O-N 3.38Å; D146-Q150 VanDerWaalsContact O-CB 3.28Å; D146-Q150 WeakPolarHBondContact O-CB 3.15Å; D146-Q150 PolarHBondContact O-N 3.31Å
147D91.5Very high87Confident115 Ų11598 Ų9862%0.61549%0.487SS*.Hα-helixtrans-69.4-38.7179.1-84-19.9000111.6D144 E145 A151D144-D147 PolarHBondContact O-N 3.11Å; E145-D147 VanDerWaalsContact C-N 3.27Å; E145-D147 PolarHBondContact O-N 3.18Å; D147-A151 WeakPolarHBondContact O-CB 3.35Å; D147-A151 PolarHBondContact O-N 2.94Å
148R91.4Very high86.9Confident143 Ų14397.1 Ų97.154%0.5447%0.474SS..Hα-helixtrans-63.8-44.1174.1-72-170.6-68.1131.1-6111.1D142 D144 E145 A151 W152D142-R148 IonicContact OD2-CZ 3.11Å; D142-R148 IonicContact OD2-NE 2.82Å; D142-R148 IonicContact OD2-NH2 3.97Å; D142-R148 PolarHBondContact OD2-NH2 3.25Å; D144-R148 WeakPolarHBondContact O-CG 3.32Å; D144-R148 PolarHBondContact O-N 3.37Å; E145-R148 PolarHBondContact O-N 3.23Å; E145-R148 VanDerWaalsContact O-N 3.16Å; R148-A151 PolarHBondContact O-N 3.34Å; R148-W152 PolarHBondContact O-N 3.16Å
149D90.3Very high86.4Confident93 Ų9394.8 Ų94.850%0.49747%0.466SS..Hα-helixtrans-66.3-43.8179-80.5-0000111.8E145 D146 A151 W152 V153E145-D149 PolarHBondContact O-N 2.87Å; D146-D149 PolarHBondContact O-N 3.38Å; D149-A151 VanDerWaalsContact C-N 3.32Å; D149-A151 PolarHBondContact O-N 3.23Å; D149-W152 WeakPolarHBondContact O-CB 3.06Å; D149-W152 PolarHBondContact O-N 2.91Å; D149-W152 VanDerWaalsContact O-N 3.13Å; D149-V153 WeakPolarHBondContact O-CG2 3.21Å; D149-V153 PolarHBondContact O-N 3.47Å
150Q87.8Confident85.5Confident85 Ų8590.7 Ų90.740%0.39745%0.449SS..Hα-helixtrans-59.3-43.9174.7-176.359.463.900111.3D146 W152 V153 D154D146-Q150 VanDerWaalsContact O-CB 3.28Å; D146-Q150 WeakPolarHBondContact O-CB 3.15Å; D146-Q150 PolarHBondContact O-N 3.31Å; Q150-W152 VanDerWaalsContact C-N 3.3Å; Q150-W152 PolarHBondContact O-N 3.06Å; Q150-V153 PolarHBondContact O-N 3.42Å; Q150-D154 PolarHBondContact NE2-OD1 3.24Å; Q150-D154 VanDerWaalsContact NE2-OD1 3.08Å; Q150-D154 WeakPolarHBondContact O-CB 3.45Å; Q150-D154 VanDerWaalsContact O-CG 3.29Å; Q150-D154 PolarHBondContact O-N 3.48Å
151A89.2Confident84.7Confident59 Ų5986 Ų8649%0.48842%0.419SS..Hα-helixtrans-62.7-37176.400000112.2D147 R148 D149 D154 A155D147-A151 WeakPolarHBondContact O-CB 3.35Å; D147-A151 PolarHBondContact O-N 2.94Å; R148-A151 PolarHBondContact O-N 3.34Å; D149-A151 VanDerWaalsContact C-N 3.32Å; D149-A151 PolarHBondContact O-N 3.23Å; A151-D154 PolarHBondContact O-N 3.13Å; A151-A155 WeakPolarHBondContact O-CB 3.29Å; A151-A155 PolarHBondContact O-N 2.95Å
152W87.8Confident83.5Confident166 Ų16685 Ų8563%0.62942%0.417SS*.Hα-helixtrans-66.1-45.4175.7-179.393.8000112.3R148 D149 Q150 D154 A155 R156R148-W152 PolarHBondContact O-N 3.16Å; D149-W152 WeakPolarHBondContact O-CB 3.06Å; D149-W152 PolarHBondContact O-N 2.91Å; D149-W152 VanDerWaalsContact O-N 3.13Å; Q150-W152 VanDerWaalsContact C-N 3.3Å; Q150-W152 PolarHBondContact O-N 3.06Å; W152-D154 VanDerWaalsContact C-N 3.33Å; W152-D154 PolarHBondContact O-N 2.93Å; W152-A155 WeakPolarHBondContact O-CB 3.39Å; W152-A155 PolarHBondContact O-N 3.15Å; W152-R156 PolarHBondContact O-N 3.16Å
153V86.4Confident81.9Confident42 Ų4290.6 Ų90.626%0.25544%0.442SS..Hα-helixtrans-61.1-43.9175.6172.10000110.6D149 Q150 A155 R156 R157 L196D149-V153 WeakPolarHBondContact O-CG2 3.21Å; D149-V153 PolarHBondContact O-N 3.47Å; Q150-V153 PolarHBondContact O-N 3.42Å; V153-A155 PolarHBondContact O-N 3.31Å; V153-R156 WeakPolarHBondContact O-CB 3.31Å; V153-R156 PolarHBondContact O-N 2.78Å; V153-R157 WeakPolarHBondContact O-CG 3.41Å; V153-R157 PolarHBondContact O-N 2.81Å; V153-L196 HydrophobicContact CG1-CD1 4.48Å
154D84.8Confident80.2Confident38 Ų3893 Ų9320%0.20345%0.448CS..Hα-helixtrans-63.1-41.8177-74-13.1000111.8Q150 A151 W152 R156 R157 Y158 L178Q150-D154 PolarHBondContact NE2-OD1 3.24Å; Q150-D154 VanDerWaalsContact NE2-OD1 3.08Å; Q150-D154 WeakPolarHBondContact O-CB 3.45Å; Q150-D154 VanDerWaalsContact O-CG 3.29Å; Q150-D154 PolarHBondContact O-N 3.48Å; A151-D154 PolarHBondContact O-N 3.13Å; W152-D154 VanDerWaalsContact C-N 3.33Å; W152-D154 PolarHBondContact O-N 2.93Å; D154-R156 VanDerWaalsContact C-N 3.3Å; D154-R156 PolarHBondContact O-N 3.4Å; D154-R157 PolarHBondContact O-N 3.48Å; D154-R157 IonicContact OD1-CZ 3Å; D154-R157 IonicContact OD1-NE 3.13Å; D154-R157 PolarHBondContact OD1-NE 3.28Å; D154-R157 IonicContact OD1-NH2 3.97Å; D154-R157 PolarHBondContact OD1-NH2 3.18Å; D154-Y158 VanDerWaalsContact O-CB 3.26Å; D154-Y158 WeakPolarHBondContact O-CB 3.34Å; D154-Y158 PolarHBondContact O-N 3.02Å; D154-L178 HydrophobicContact CB-CD1 4.16Å; D154-L178 VanDerWaalsContact O-CD1 3.28Å; D154-L178 WeakPolarHBondContact O-CD1 3.28Å
155A85.1Confident78.3Confident47 Ų4791 Ų9139%0.38844%0.442SS..Hα-helixtrans-60.9-39.6173.900000111.9A151 W152 V153 Y158 N159A151-A155 WeakPolarHBondContact O-CB 3.29Å; A151-A155 PolarHBondContact O-N 2.95Å; W152-A155 WeakPolarHBondContact O-CB 3.39Å; W152-A155 PolarHBondContact O-N 3.15Å; V153-A155 PolarHBondContact O-N 3.31Å; A155-Y158 PolarHBondContact O-N 3.34Å; A155-N159 WeakPolarHBondContact O-CB 3.3Å; A155-N159 VanDerWaalsContact O-CG 3.25Å; A155-N159 PolarHBondContact O-N 2.99Å; A155-N159 PolarHBondContact O-ND2 3.4Å
156R83.7Confident76.4Confident139 Ų13993.5 Ų93.553%0.52546%0.464SS..Hα-helixtrans-63.8-46.1176.1-165.772.1175.7-168.3-0.8111.6W152 V153 D154 N159 G160 L196W152-R156 PolarHBondContact O-N 3.16Å; V153-R156 WeakPolarHBondContact O-CB 3.31Å; V153-R156 PolarHBondContact O-N 2.78Å; D154-R156 VanDerWaalsContact C-N 3.3Å; D154-R156 PolarHBondContact O-N 3.4Å; R156-N159 PolarHBondContact O-N 3.46Å; R156-G160 PolarHBondContact O-N 2.98Å; R156-L196 HydrophobicContact CG-CD1 4.26Å
157R83.9Confident74.6Confident40 Ų4092.6 Ų92.615%0.15147%0.472CS..Hα-helixtrans-62.9-40.7175.3-71.2-167.6-74.8-168.6-3.7111.9V153 D154 R161 L178 S181 L196 D197V153-R157 WeakPolarHBondContact O-CG 3.41Å; V153-R157 PolarHBondContact O-N 2.81Å; D154-R157 PolarHBondContact O-N 3.48Å; D154-R157 IonicContact OD1-CZ 3Å; D154-R157 IonicContact OD1-NE 3.13Å; D154-R157 PolarHBondContact OD1-NE 3.28Å; D154-R157 IonicContact OD1-NH2 3.97Å; D154-R157 PolarHBondContact OD1-NH2 3.18Å; R157-R161 PolarHBondContact O-N 2.9Å; R157-L178 HydrophobicContact CB-CD1 3.61Å; R157-S181 PolarHBondContact NH1-OG 2.82Å; R157-L196 HydrophobicContact CG-CB 4.19Å; R157-D197 HydrophobicContact CG-CB 4.41Å
158Y76.8Confident72.6Confident122 Ų12291.4 Ų91.448%0.47847%0.473SS..Hα-helixtrans-67.6-40.5179.2-172.1-119.4000112.8D154 A155 G160 R161 K162 L178D154-Y158 VanDerWaalsContact O-CB 3.26Å; D154-Y158 WeakPolarHBondContact O-CB 3.34Å; D154-Y158 PolarHBondContact O-N 3.02Å; A155-Y158 PolarHBondContact O-N 3.34Å; Y158-G160 VanDerWaalsContact C-N 3.33Å; Y158-G160 PolarHBondContact O-N 2.83Å; Y158-R161 PolarHBondContact O-N 3.23Å; Y158-R161 VanDerWaalsContact O-N 3.16Å; Y158-K162 HydrophobicContact CD1-CD 4.41Å; Y158-K162 HydrophobicContact CD1-CG 4.49Å; Y158-K162 HydrophobicContact CE1-CD 4.23Å; Y158-K162 HydrophobicContact CE1-CG 4.28Å; Y158-K162 PolarHBondContact O-N 2.76Å; Y158-K162 VanDerWaalsContact O-N 3.08Å; Y158-L178 HydrophobicContact CD2-CD2 4Å
159N73.8Confident70.6Confident81 Ų8196.7 Ų96.743%0.43349%0.493SS..Hα-helixtrans-66-33.8179.4-75.7-18.6000112.8A155 R156 K162A155-N159 WeakPolarHBondContact O-CB 3.3Å; A155-N159 VanDerWaalsContact O-CG 3.25Å; A155-N159 PolarHBondContact O-N 2.99Å; A155-N159 PolarHBondContact O-ND2 3.4Å; R156-N159 PolarHBondContact O-N 3.46Å; N159-K162 PolarHBondContact O-N 3.08Å; N159-K162 PolarHBondContact OD1-NZ 3.24Å
160G66.8Low68.5Low18 Ų1897.1 Ų97.119%0.18650%0.503CS..Hα-helixtrans-56.8-50.6169.100000111.2R156 Y158 K162 H163 F212R156-G160 PolarHBondContact O-N 2.98Å; Y158-G160 VanDerWaalsContact C-N 3.33Å; Y158-G160 PolarHBondContact O-N 2.83Å; G160-K162 VanDerWaalsContact C-N 3.33Å; G160-K162 PolarHBondContact O-N 3.5Å; G160-H163 PolarHBondContact O-N 3.25Å; G160-F212 VanDerWaalsContact C-CZ 3.44Å; G160-F212 WeakPolarHBondContact O-CE1 3.39Å; G160-F212 WeakPolarHBondContact O-CE2 3.28Å; G160-F212 WeakPolarHBondContact O-CZ 3.41Å
161R68.9Low66.6Low66 Ų66102.4 Ų102.425%0.24953%0.528CS..Hα-helixtrans-68.1-22.9-177.2-66.3177.5176.9-127.86.4115.1R157 Y158 H163 Q164 S165 D197 F212R157-R161 PolarHBondContact O-N 2.9Å; Y158-R161 PolarHBondContact O-N 3.23Å; Y158-R161 VanDerWaalsContact O-N 3.16Å; R161-H163 PolarHBondContact O-N 2.92Å; R161-Q164 PolarHBondContact O-N 3.5Å; R161-S165 PolarHBondContact O-OG 2.91Å; R161-D197 IonicContact CZ-OD2 3.86Å; R161-D197 IonicContact NE-OD2 2.79Å; R161-D197 PolarHBondContact NE-OD2 3.46Å; R161-D197 VanDerWaalsContact NH2-CG 3.29Å; R161-D197 IonicContact NH2-OD1 3.88Å; R161-D197 PolarHBondContact NH2-OD1 3.42Å; R161-D197 VanDerWaalsContact NH2-OD1 3.11Å; R161-D197 IonicContact NH2-OD2 3.77Å; R161-D197 PolarHBondContact NH2-OD2 3.47Å; R161-F212 HydrophobicContact CB-CE2 4.34Å; R161-F212 HydrophobicContact CG-CD2 4.33Å; R161-F212 HydrophobicContact CG-CE2 3.87Å
162K61.9Low64.5Low104 Ų104105 Ų10545%0.45255%0.549SS..Hα-helixtrans-62.4-28.6177.3-85.2-179.4179.3153.60113.6Y158 N159 G160 Q164 S165Y158-K162 HydrophobicContact CD1-CD 4.41Å; Y158-K162 HydrophobicContact CD1-CG 4.49Å; Y158-K162 HydrophobicContact CE1-CD 4.23Å; Y158-K162 HydrophobicContact CE1-CG 4.28Å; Y158-K162 PolarHBondContact O-N 2.76Å; Y158-K162 VanDerWaalsContact O-N 3.08Å; N159-K162 PolarHBondContact O-N 3.08Å; N159-K162 PolarHBondContact OD1-NZ 3.24Å; G160-K162 VanDerWaalsContact C-N 3.33Å; G160-K162 PolarHBondContact O-N 3.5Å; K162-Q164 PolarHBondContact O-N 3.27Å; K162-S165 PolarHBondContact O-N 2.92Å
163H53.6Low62.4Low174 Ų174100 Ų10081%0.80655%0.55SS*.THydrogen-bonded Turntrans-67.5-13179-85.2-75.5000113.8G160 R161G160-H163 PolarHBondContact O-N 3.25Å; R161-H163 PolarHBondContact O-N 2.92Å
164Q52.9Low60.4Low110 Ų110106 Ų10651%0.51458%0.575SS.*THydrogen-bonded Turntrans-105.2-11.1176.8-72.2179.47.500114.4R161 K162 M211 F212R161-Q164 PolarHBondContact O-N 3.5Å; K162-Q164 PolarHBondContact O-N 3.27Å; Q164-M211 PolarHBondContact OE1-SD 3.18Å; Q164-F212 HydrophobicContact CG-CZ 3.98Å
165S48.7Very low58.6Low56 Ų56112.4 Ų112.439%0.39261%0.609SS.*  trans-128.884.1-170.360.20000114.5R161 K162 A167R161-S165 PolarHBondContact O-OG 2.91Å; K162-S165 PolarHBondContact O-N 2.92Å; S165-A167 VanDerWaalsContact C-N 3.27Å
166T50.4Low56.7Low151 Ų151117.8 Ų117.893%0.92663%0.626SS**SBendtrans-83.4-2.6154.552.70000112.5
167A50.2Low55.2Low95 Ų95121 Ų12179%0.78564%0.638SS**SBendtrans-105.7-6.8-16700000116.7S165S165-A167 VanDerWaalsContact C-N 3.27Å
168S50.3Low54Low91 Ų91120.7 Ų120.764%0.63664%0.639SS**  trans-135.463.5-173.331.60000111.8S170S168-S170 VanDerWaalsContact C-N 3.35Å
169R49.7Very low53.5Low254 Ų254118.3 Ų118.396%0.95864%0.639SS**  trans-9524.5-179.5-141.1176.2179.4-179.3-0.7113.6
170S46.9Very low53.5Low102 Ų102119.6 Ų119.671%0.71365%0.654SS**  trans-125.175.4-175.361.60000111.5S168S168-S170 VanDerWaalsContact C-N 3.35Å
171Q47.8Very low54.2Low195 Ų195119.5 Ų119.591%0.91165%0.65SS**  trans178.268148.5-99.6174.110.500109.4G173Q171-G173 PolarHBondContact O-N 3Å
172A43.3Very low55.1Low113 Ų113119.8 Ų119.893%0.93466%0.657SS**  trans-82.5100.6162.800000107.2
173G44.3Very low56.5Low63 Ų63114.9 Ų114.965%0.64964%0.636SS**  trans170.84.9178.600000117.6Q171Q171-G173 PolarHBondContact O-N 3Å
174Q44.4Very low58.3Low167 Ų167108.6 Ų108.678%0.7861%0.61SS**SBendtrans-132.1138.2171.5-65.1-63.2-21.200108.1H176Q174-H176 PolarHBondContact O-N 3.26Å
175N46.3Very low60.3Low173 Ų173103.4 Ų103.493%0.92559%0.585SS**  trans-62.862.8168.4-75-21.6000109.7R177N175-R177 PolarHBondContact O-N 3.5Å
176H45.2Very low62.5Low159 Ų159101.9 Ų101.974%0.73657%0.573SS**  trans-82.293.8-177.4-149-58.5000106.1Q174 L178Q174-H176 PolarHBondContact O-N 3.26Å; H176-L178 PolarHBondContact O-N 3.38Å
177R53Low64.7Low206 Ų20694.7 Ų94.778%0.77753%0.529SS*.  trans-41.7131.2159.3-70.3-172.2176.8-142.6-3.1106.9N175N175-R177 PolarHBondContact O-N 3.5Å
178L57.9Low66.8Low34 Ų3492 Ų9218%0.17850%0.504CS..PPolyproline II helixtrans-53.1150.1176.3-67.4168.6000108.7D154 R157 Y158 H176 S180D154-L178 HydrophobicContact CB-CD1 4.16Å; D154-L178 VanDerWaalsContact O-CD1 3.28Å; D154-L178 WeakPolarHBondContact O-CD1 3.28Å; R157-L178 HydrophobicContact CB-CD1 3.61Å; Y158-L178 HydrophobicContact CD2-CD2 4Å; H176-L178 PolarHBondContact O-N 3.38Å; L178-S180 PolarHBondContact O-N 3.05Å
179P68.1Low68.9Low72 Ų7290.9 Ų90.947%0.46850%0.5SS..PPolyproline II helixtrans-46.3133.2174.4-27.435.1000110.3S181P179-S181 PolarHBondContact O-N 2.95Å; P179-S181 VanDerWaalsContact O-N 3.15Å
180S72.1Confident71Confident109 Ų10981.1 Ų81.176%0.76247%0.47SS*.PPolyproline II helixtrans-59.1119.8-178.253.30000109.6L178L178-S180 PolarHBondContact O-N 3.05Å
181S82.9Confident73.3Confident15 Ų1581.9 Ų81.911%0.10546%0.463CS..PPolyproline II helixtrans-69139.416750.60000109.3R157 P179 L196R157-S181 PolarHBondContact NH1-OG 2.82Å; P179-S181 PolarHBondContact O-N 2.95Å; P179-S181 VanDerWaalsContact O-N 3.15Å; S181-L196 WeakPolarHBondContact CB-O 3.28Å; S181-L196 PolarHBondContact OG-O 3.26Å
182D87Confident75.6Confident72 Ų7274.2 Ų74.239%0.38543%0.43SS..SBendtrans-72.8-32-176.3-75.4-34.8000113C198 Q199 R200 H289D182-C198 PolarHBondContact N-O 2.95Å; D182-Q199 WeakPolarHBondContact OD2-CA 3.37Å; D182-R200 HydrophobicContact CB-CB 4.3Å; D182-R200 WeakPolarHBondContact OD2-CB 3.43Å; D182-R200 PolarHBondContact OD2-N 3.14Å; D182-H289 PolarHBondContact O-ND1 3.15Å
183A91.3Very high77.9Confident1 Ų171.2 Ų71.21%0.00840%0.4CS..  trans-158.6163.6-179.100000111.8L185 C198 Y208 A287 S288A183-L185 HydrophobicContact CB-CD2 4.26Å; A183-C198 PolarHBondContact O-SG 2.96Å; A183-Y208 HydrophobicContact CB-CD1 4.49Å; A183-Y208 HydrophobicContact CB-CE1 3.84Å; A183-A287 HydrophobicContact CB-CB 4.06Å; A183-S288 WeakPolarHBondContact CA-O 3.18Å
184V92.3Very high80.3Confident43 Ų4368.2 Ų68.226%0.26137%0.369SS..EExtended strand (participates in β ladder)trans-96129.4161.2177.30000108.2T193 L196 A287 S288V184-T193 HydrophobicContact CG1-CG2 3.85Å; V184-L196 HydrophobicContact CG1-CD2 4.07Å; V184-L196 HydrophobicContact CG2-CD2 4.33Å; V184-A287 WeakPolarHBondContact O-CA 3.46Å; V184-S288 PolarHBondContact N-O 3Å; V184-S288 PolarHBondContact O-N 3.2Å
185L94.2Very high82.6Confident0 Ų060.3 Ų60.30%033%0.332CS..EExtended strand (participates in β ladder)trans-101.5126.3-177.6-51.6-175.3000110.7A183 L194 C195 C198 Y208 F282 I285 A287A183-L185 HydrophobicContact CB-CD2 4.26Å; L185-L194 PolarHBondContact O-N 3.1Å; L185-C195 HydrophobicContact CB-CB 4.02Å; L185-C195 HydrophobicContact CD1-CB 3.96Å; L185-C195 HydrophobicContact CG-CB 4.09Å; L185-C195 PolarHBondContact N-O 3Å; L185-C195 PolarHBondContact O-N 3.34Å; L185-C198 HydrophobicContact CD1-CB 3.83Å; L185-C198 HydrophobicContact CG-CB 4.15Å; L185-Y208 HydrophobicContact CD1-CG 4.33Å; L185-Y208 HydrophobicContact CD2-CD1 4.08Å; L185-Y208 HydrophobicContact CD2-CD2 3.86Å; L185-Y208 HydrophobicContact CD2-CE1 4.46Å; L185-Y208 HydrophobicContact CD2-CE2 4.26Å; L185-Y208 HydrophobicContact CD2-CG 3.75Å; L185-F282 HydrophobicContact CD1-CB 4.23Å; L185-F282 HydrophobicContact CD1-CD1 4.43Å; L185-F282 HydrophobicContact CD1-CD2 3.61Å; L185-F282 HydrophobicContact CD1-CE2 4.01Å; L185-F282 HydrophobicContact CD1-CG 3.84Å; L185-I285 HydrophobicContact CD2-CD1 3.78Å; L185-I285 HydrophobicContact CD2-CG1 4.21Å; L185-A287 HydrophobicContact CD2-CB 4.14Å
186N95.2Very high84.6Confident24 Ų2453.5 Ų53.513%0.12830%0.296CS..EExtended strand (participates in β ladder)trans-118.3149.7178.4-62.6-41.7000111.3T192 T193 L286N186-T192 CarbonylContact C-O 3.54Å; N186-T192 WeakPolarHBondContact CA-O 3.39Å; N186-T193 VanDerWaalsContact OD1-CA 3.3Å; N186-T193 WeakPolarHBondContact OD1-CA 3.25Å; N186-T193 PolarHBondContact OD1-OG1 3.35Å; N186-T193 VanDerWaalsContact OD1-OG1 3.12Å; N186-L286 HydrophobicContact CB-CB 4.34Å; N186-L286 PolarHBondContact N-O 3.46Å; N186-L286 PolarHBondContact O-N 3.38Å
187C95.3Very high86.7Confident0 Ų047.2 Ų47.20%027%0.267CS..  trans-66.6134.1175.5-174.90000110.7A189 C190 M191 T192 L194 C267C187-A189 VanDerWaalsContact C-N 3.27Å; C187-A189 PolarHBondContact O-N 2.85Å; C187-C190 VanDerWaalsContact SG-SG 3.63Å; C187-M191 WeakPolarHBondContact O-CA 3.42Å; C187-M191 PolarHBondContact O-N 3.43Å; C187-T192 PolarHBondContact N-O 2.91Å; C187-L194 HydrophobicContact CB-CD1 3.97Å; C187-L194 HydrophobicContact CB-CD2 4.18Å; C187-L194 HydrophobicContact CB-CG 4.15Å; C187-C267 PolarHBondContact SG-SG 3.21Å
188P94.7Very high88.5Confident40 Ų4037.6 Ų37.626%0.2623%0.232SC..THydrogen-bonded Turntrans-68.4-22.5-179.727.6-36.1000114.3T269 N284 L286P188-T269 HydrophobicContact CG-CG2 4.34Å; P188-N284 WeakPolarHBondContact CD-O 3.33Å; P188-N284 WeakPolarHBondContact CG-O 3.43Å; P188-L286 HydrophobicContact CB-CG 4.31Å
189A94.3Very high90.1Very high67 Ų6741.4 Ų41.455%0.55425%0.249SC*.THydrogen-bonded Turntrans-94-48.9-176.400000112.9C187 C267 T269C187-A189 VanDerWaalsContact C-N 3.27Å; C187-A189 PolarHBondContact O-N 2.85Å; A189-C267 HydrophobicContact CB-CB 4.4Å; A189-T269 WeakPolarHBondContact CB-OG1 3.41Å
190C94.9Very high91.2Very high48 Ų4842.2 Ų42.232%0.32424%0.243SC..THydrogen-bonded Turntrans-109.33-176.560.80000114.4C187 T192 C267C187-C190 VanDerWaalsContact SG-SG 3.63Å; C190-T192 PolarHBondContact O-N 2.77Å; C190-T192 PolarHBondContact SG-OG1 2.85Å; C190-C267 HydrophobicContact CB-CB 3.97Å; C190-C267 PolarHBondContact SG-SG 3.01Å
191M94.9Very high92Very high118 Ų11839.5 Ų39.558%0.58122%0.218SC*.  trans58.17.6-178-60.1-69.3173.300115.2C187 T193 L286C187-M191 WeakPolarHBondContact O-CA 3.42Å; C187-M191 PolarHBondContact O-N 3.43Å; M191-T193 PolarHBondContact O-N 2.84Å; M191-L286 HydrophobicContact CE-CD1 3.34Å; M191-L286 HydrophobicContact SD-CD1 3.31Å; M191-L286 WeakPolarHBondContact SD-CD1 3.26Å
192T95.3Very high92.2Very high35 Ų3547.9 Ų47.922%0.21526%0.255CS..  trans-62135.5177.8-55.70000110.4N186 C187 C190 L194 N215 E266N186-T192 CarbonylContact C-O 3.54Å; N186-T192 WeakPolarHBondContact CA-O 3.39Å; C187-T192 PolarHBondContact N-O 2.91Å; C190-T192 PolarHBondContact O-N 2.77Å; C190-T192 PolarHBondContact SG-OG1 2.85Å; T192-L194 PolarHBondContact O-N 3.01Å; T192-N215 HydrophobicContact CG2-CB 3.86Å; T192-E266 HydrophobicContact CG2-CG 3.93Å
193T93.4Very high92.2Very high49 Ų4951.6 Ų51.630%0.30127%0.268SS..EExtended strand (participates in β ladder)trans-66.8122.8176-550000110.6V184 N186 M191 L196 M214V184-T193 HydrophobicContact CG1-CG2 3.85Å; N186-T193 VanDerWaalsContact OD1-CA 3.3Å; N186-T193 WeakPolarHBondContact OD1-CA 3.25Å; N186-T193 PolarHBondContact OD1-OG1 3.35Å; N186-T193 VanDerWaalsContact OD1-OG1 3.12Å; M191-T193 PolarHBondContact O-N 2.84Å; T193-L196 HydrophobicContact CG2-CD2 3.76Å; T193-L196 HydrophobicContact CG2-CG 4.37Å; T193-M214 HydrophobicContact CG2-SD 4.4Å; T193-M214 WeakPolarHBondContact O-CG 3.33Å
194L93.4Very high92.1Very high0 Ų056.5 Ų56.50%029%0.287CS..EExtended strand (participates in β ladder)trans-102.3-30.5-178.1-57.9178.9000111.9L185 C187 T192 V213 M214 N215 C264 V271 F282 I285L185-L194 PolarHBondContact O-N 3.1Å; C187-L194 HydrophobicContact CB-CD1 3.97Å; C187-L194 HydrophobicContact CB-CD2 4.18Å; C187-L194 HydrophobicContact CB-CG 4.15Å; T192-L194 PolarHBondContact O-N 3.01Å; L194-V213 WeakPolarHBondContact O-CA 3.48Å; L194-M214 WeakPolarHBondContact CA-O 3.31Å; L194-M214 PolarHBondContact O-N 3.1Å; L194-N215 HydrophobicContact CD2-CB 4.43Å; L194-C264 HydrophobicContact CD2-CB 4.35Å; L194-V271 HydrophobicContact CD1-CB 3.99Å; L194-V271 HydrophobicContact CD1-CG1 3.93Å; L194-V271 HydrophobicContact CD1-CG2 3.95Å; L194-F282 HydrophobicContact CB-CE1 4.32Å; L194-F282 HydrophobicContact CD1-CE1 4.23Å; L194-I285 HydrophobicContact CD1-CG2 4.24Å
195C91.9Very high91.8Very high1 Ų162.7 Ų62.71%0.00731%0.305CS..EExtended strand (participates in β ladder)trans-156.5135.6-179.3-172.20000112.4L185 D197 A210 F212L185-C195 HydrophobicContact CB-CB 4.02Å; L185-C195 HydrophobicContact CD1-CB 3.96Å; L185-C195 HydrophobicContact CG-CB 4.09Å; L185-C195 PolarHBondContact N-O 3Å; L185-C195 PolarHBondContact O-N 3.34Å; C195-D197 PolarHBondContact SG-N 2.99Å; C195-D197 VanDerWaalsContact SG-N 3.35Å; C195-D197 PolarHBondContact SG-O 3.12Å; C195-A210 VanDerWaalsContact SG-CB 3.6Å; C195-F212 PolarHBondContact SG-O 2.98Å
196L90.1Very high91.6Very high31 Ų3167.5 Ų67.516%0.16234%0.335CS..SBendtrans-100.8-14.5174.6-63176.8000113V153 R156 R157 S181 V184 T193 M214V153-L196 HydrophobicContact CG1-CD1 4.48Å; R156-L196 HydrophobicContact CG-CD1 4.26Å; R157-L196 HydrophobicContact CG-CB 4.19Å; S181-L196 WeakPolarHBondContact CB-O 3.28Å; S181-L196 PolarHBondContact OG-O 3.26Å; V184-L196 HydrophobicContact CG1-CD2 4.07Å; V184-L196 HydrophobicContact CG2-CD2 4.33Å; T193-L196 HydrophobicContact CG2-CD2 3.76Å; T193-L196 HydrophobicContact CG2-CG 4.37Å; L196-M214 HydrophobicContact CB-CE 4.31Å; L196-M214 HydrophobicContact CD1-CE 3.68Å; L196-M214 HydrophobicContact CD1-SD 4.42Å; L196-M214 HydrophobicContact CG-CE 3.65Å; L196-M214 HydrophobicContact CG-SD 4.33Å
197D89Confident91.4Very high26 Ų2669 Ų6914%0.13934%0.341CS..SBendtrans-135.992.8-173.8-1729.1000110R157 R161 C195R157-D197 HydrophobicContact CG-CB 4.41Å; R161-D197 IonicContact CZ-OD2 3.86Å; R161-D197 IonicContact NE-OD2 2.79Å; R161-D197 PolarHBondContact NE-OD2 3.46Å; R161-D197 VanDerWaalsContact NH2-CG 3.29Å; R161-D197 IonicContact NH2-OD1 3.88Å; R161-D197 PolarHBondContact NH2-OD1 3.42Å; R161-D197 VanDerWaalsContact NH2-OD1 3.11Å; R161-D197 IonicContact NH2-OD2 3.77Å; R161-D197 PolarHBondContact NH2-OD2 3.47Å; C195-D197 PolarHBondContact SG-N 2.99Å; C195-D197 VanDerWaalsContact SG-N 3.35Å; C195-D197 PolarHBondContact SG-O 3.12Å
198C90.4Very high91.4Very high5 Ų569.2 Ų69.23%0.03434%0.342CS..  trans-130.2153.8-179.471.90000111.6D182 A183 L185 R209 A210D182-C198 PolarHBondContact N-O 2.95Å; A183-C198 PolarHBondContact O-SG 2.96Å; L185-C198 HydrophobicContact CD1-CB 3.83Å; L185-C198 HydrophobicContact CG-CB 4.15Å; C198-R209 WeakPolarHBondContact CA-O 3.5Å; C198-A210 HydrophobicContact CB-CB 4.28Å
199Q90.8Very high91.3Very high114 Ų11471.5 Ų71.553%0.53335%0.345SS..EExtended strand (participates in β ladder)trans-111.2130.8172.6-172.7179.824.200108.9D182 Y208 R209D182-Q199 WeakPolarHBondContact OD2-CA 3.37Å; Q199-Y208 CarbonylContact O-C 3.58Å; Q199-Y208 WeakPolarHBondContact O-CA 3.32Å; Q199-R209 PolarHBondContact N-O 2.96Å; Q199-R209 PolarHBondContact O-N 3.36Å
200R91.7Very high91.2Very high89 Ų8968.4 Ų68.434%0.33632%0.32SS..EExtended strand (participates in β ladder)trans-67.9136.8176.2-166.2-178.1-163.4170.914.4110.5D182 R205 Y208D182-R200 HydrophobicContact CB-CB 4.3Å; D182-R200 WeakPolarHBondContact OD2-CB 3.43Å; D182-R200 PolarHBondContact OD2-N 3.14Å; R200-R205 VanDerWaalsContact CZ-O 3.26Å; R200-R205 VanDerWaalsContact NE-CA 3.34Å; R200-R205 PolarHBondContact NE-O 3.42Å; R200-R205 VanDerWaalsContact NH2-CB 3.31Å; R200-R205 PolarHBondContact NH2-O 3.28Å; R200-Y208 HydrophobicContact CB-CD1 4.12Å; R200-Y208 HydrophobicContact CB-CE1 3.96Å; R200-Y208 HydrophobicContact CG-CD1 4.33Å; R200-Y208 HydrophobicContact CG-CE1 3.92Å
201H89.2Confident90.9Very high52 Ų5269.8 Ų69.824%0.24132%0.323CS..  trans-68.8136.2176.7-169.8-65.5000110.8K203 Y204 Q207H201-K203 PolarHBondContact ND1-N 3.4Å; H201-Y204 PolarHBondContact ND1-N 3.45Å; H201-Y204 CarbonylContact O-C 3.5Å; H201-Q207 HydrophobicContact CB-CB 3.93Å; H201-Q207 WeakPolarHBondContact CB-O 3.48Å; H201-Q207 PolarHBondContact N-O 2.91Å
202E86.8Confident90.6Very high190 Ų19066.7 Ų66.789%0.88831%0.306SS*.SBendtrans-63.3-47-175.8-65.2-177.4174.100112.7
203K87.7Confident90.4Very high151 Ų15166.8 Ų66.866%0.65731%0.306SS*.SBendtrans-72.2-42.4179.4-166.9177.3-179.3-173.70113.9H201H201-K203 PolarHBondContact ND1-N 3.4Å
204Y88.4Confident90.3Very high103 Ų10366.7 Ų66.740%0.40430%0.303SS..  trans-120.6104.9-173.2-60.5-65.8000110.3H201 T206 Q207H201-Y204 PolarHBondContact ND1-N 3.45Å; H201-Y204 CarbonylContact O-C 3.5Å; Y204-T206 PolarHBondContact O-N 2.93Å; Y204-T206 VanDerWaalsContact O-N 3.1Å; Y204-Q207 VanDerWaalsContact CB-CD 3.5Å; Y204-Q207 PolarHBondContact O-N 3.39Å
205R87.1Confident90.2Very high173 Ų17369.7 Ų69.765%0.65332%0.319SS*.THydrogen-bonded Turntrans-62.8-16.7-178.2-83.5155.499.687.9-8.3114.6R200R200-R205 VanDerWaalsContact CZ-O 3.26Å; R200-R205 VanDerWaalsContact NE-CA 3.34Å; R200-R205 PolarHBondContact NE-O 3.42Å; R200-R205 VanDerWaalsContact NH2-CB 3.31Å; R200-R205 PolarHBondContact NH2-O 3.28Å
206T88.5Confident90.3Very high101 Ų10170.8 Ų70.862%0.6233%0.327SS*.THydrogen-bonded Turntrans-95.2-5.4176.952.20000113Y204Y204-T206 PolarHBondContact O-N 2.93Å; Y204-T206 VanDerWaalsContact O-N 3.1Å
207Q91.9Very high90.4Very high55 Ų5572.7 Ų72.726%0.25734%0.34SS..  trans-105.7146.7-179.8-62.9175.914.300110.2H201 Y204 F282 F283H201-Q207 HydrophobicContact CB-CB 3.93Å; H201-Q207 WeakPolarHBondContact CB-O 3.48Å; H201-Q207 PolarHBondContact N-O 2.91Å; Y204-Q207 VanDerWaalsContact CB-CD 3.5Å; Y204-Q207 PolarHBondContact O-N 3.39Å; Q207-F282 WeakPolarHBondContact CA-O 3.43Å; Q207-F282 WeakPolarHBondContact CB-O 3.34Å; Q207-F283 HydrophobicContact CG-CB 4.14Å
208Y94.4Very high90.7Very high6 Ų673.5 Ų73.52%0.02435%0.346CS..EExtended strand (participates in β ladder)trans-133.5144.2-176.4-64.1-95.6000109.8A183 L185 Q199 R200 F282 I285 A287 H289A183-Y208 HydrophobicContact CB-CD1 4.49Å; A183-Y208 HydrophobicContact CB-CE1 3.84Å; L185-Y208 HydrophobicContact CD1-CG 4.33Å; L185-Y208 HydrophobicContact CD2-CD1 4.08Å; L185-Y208 HydrophobicContact CD2-CD2 3.86Å; L185-Y208 HydrophobicContact CD2-CE1 4.46Å; L185-Y208 HydrophobicContact CD2-CE2 4.26Å; L185-Y208 HydrophobicContact CD2-CG 3.75Å; Q199-Y208 CarbonylContact O-C 3.58Å; Q199-Y208 WeakPolarHBondContact O-CA 3.32Å; R200-Y208 HydrophobicContact CB-CD1 4.12Å; R200-Y208 HydrophobicContact CB-CE1 3.96Å; R200-Y208 HydrophobicContact CG-CD1 4.33Å; R200-Y208 HydrophobicContact CG-CE1 3.92Å; Y208-F282 PolarHBondContact N-O 3.4Å; Y208-F282 VanDerWaalsContact N-O 3.1Å; Y208-F282 PolarHBondContact O-N 3.36Å; Y208-I285 HydrophobicContact CD2-CD1 3.63Å; Y208-I285 HydrophobicContact CD2-CG1 4.29Å; Y208-I285 HydrophobicContact CE2-CD1 3.73Å; Y208-A287 HydrophobicContact CE2-CB 3.67Å; Y208-A287 WeakPolarHBondContact OH-CB 3.02Å; Y208-H289 PolarHBondContact OH-CE1 3.05Å; Y208-H289 VanDerWaalsContact OH-CE1 3.3Å; Y208-H289 PolarHBondContact OH-NE2 2.92Å
209R92.6Very high90.7Very high87 Ų8776.8 Ų76.833%0.32836%0.359SS..EExtended strand (participates in β ladder)trans-110.2132.4176.2-62.617973.5-139.73.4108.1C198 Q199 V279 Y280 H281C198-R209 WeakPolarHBondContact CA-O 3.5Å; Q199-R209 PolarHBondContact N-O 2.96Å; Q199-R209 PolarHBondContact O-N 3.36Å; R209-V279 HydrophobicContact CB-CG1 4.1Å; R209-Y280 CarbonylContact C-O 3.57Å; R209-Y280 VanDerWaalsContact CA-O 3.28Å; R209-Y280 WeakPolarHBondContact CA-O 3.21Å; R209-H281 PolarHBondContact NE-NE2 3.36Å; R209-H281 VanDerWaalsContact NE-NE2 3.17Å
210A92.6Very high90.5Very high3 Ų375.9 Ų75.93%0.02536%0.362CS..EExtended strand (participates in β ladder)trans-136.8146.3176.400000110.6C195 C198 V213 Y280 F282C195-A210 VanDerWaalsContact SG-CB 3.6Å; C198-A210 HydrophobicContact CB-CB 4.28Å; A210-V213 HydrophobicContact CB-CG1 4.35Å; A210-Y280 PolarHBondContact N-O 3.47Å; A210-Y280 WeakPolarHBondContact O-CB 3.14Å; A210-Y280 PolarHBondContact O-N 2.99Å; A210-F282 HydrophobicContact CB-CD2 4.45Å; A210-F282 HydrophobicContact CB-CE2 3.93Å
211M89.2Confident90.1Very high77 Ų7778.8 Ų78.838%0.37938%0.384SS..SBendtrans-89.3-31.8172.1-65.1-176.3-67.400111.5Q164Q164-M211 PolarHBondContact OE1-SD 3.18Å
212F88Confident89.9Confident53 Ų5380.1 Ų80.123%0.23239%0.39CS..  trans-125.5134.4-176.6-55.2-70.7000109.8G160 R161 Q164 C195G160-F212 VanDerWaalsContact C-CZ 3.44Å; G160-F212 WeakPolarHBondContact O-CE1 3.39Å; G160-F212 WeakPolarHBondContact O-CE2 3.28Å; G160-F212 WeakPolarHBondContact O-CZ 3.41Å; R161-F212 HydrophobicContact CB-CE2 4.34Å; R161-F212 HydrophobicContact CG-CD2 4.33Å; R161-F212 HydrophobicContact CG-CE2 3.87Å; Q164-F212 HydrophobicContact CG-CZ 3.98Å; C195-F212 PolarHBondContact SG-O 2.98Å
213V91.1Very high89.7Confident36 Ų3674.6 Ų74.622%0.21837%0.369CS..  trans-131.1153.6179.9-59.20000109.1L194 A210 C216 Y280 F282L194-V213 WeakPolarHBondContact O-CA 3.48Å; A210-V213 HydrophobicContact CB-CG1 4.35Å; V213-C216 HydrophobicContact CB-CB 4.18Å; V213-C216 HydrophobicContact CG2-CB 3.72Å; V213-Y280 HydrophobicContact CG1-CD1 3.87Å; V213-Y280 HydrophobicContact CG1-CD2 3.64Å; V213-Y280 HydrophobicContact CG1-CE1 4.32Å; V213-Y280 HydrophobicContact CG1-CE2 4.1Å; V213-Y280 HydrophobicContact CG1-CG 3.52Å; V213-Y280 HydrophobicContact CG2-CD1 4.01Å; V213-Y280 HydrophobicContact CG2-CD2 4.17Å; V213-Y280 HydrophobicContact CG2-CE1 3.6Å; V213-Y280 HydrophobicContact CG2-CE2 3.77Å; V213-Y280 HydrophobicContact CG2-CG 4.28Å; V213-Y280 VanDerWaalsContact CG2-CZ 3.47Å; V213-F282 HydrophobicContact CB-CZ 4.38Å; V213-F282 HydrophobicContact CG1-CE2 3.7Å; V213-F282 HydrophobicContact CG1-CZ 3.49Å; V213-F282 VanDerWaalsContact CG1-CZ 3.49Å
214M91.1Very high89.4Confident47 Ų4770.9 Ų70.923%0.23236%0.356CS..SBendtrans-122.4153.7171.560.3-166.67500108.8T193 L194 L196 C216T193-M214 HydrophobicContact CG2-SD 4.4Å; T193-M214 WeakPolarHBondContact O-CG 3.33Å; L194-M214 WeakPolarHBondContact CA-O 3.31Å; L194-M214 PolarHBondContact O-N 3.1Å; L196-M214 HydrophobicContact CB-CE 4.31Å; L196-M214 HydrophobicContact CD1-CE 3.68Å; L196-M214 HydrophobicContact CD1-SD 4.42Å; L196-M214 HydrophobicContact CG-CE 3.65Å; L196-M214 HydrophobicContact CG-SD 4.33Å; M214-C216 PolarHBondContact O-N 3.05Å
215N92Very high89Confident63 Ų6373.5 Ų73.534%0.33737%0.365SS..SBendtrans57.328.4177-5473000113.6T192 L194 S265 E266T192-N215 HydrophobicContact CG2-CB 3.86Å; L194-N215 HydrophobicContact CD2-CB 4.43Å; N215-S265 WeakPolarHBondContact O-CB 3.5Å; N215-S265 PolarHBondContact O-N 2.98Å; N215-S265 PolarHBondContact O-OG 3.06Å; N215-E266 PolarHBondContact ND2-OE1 2.83Å
216C92.7Very high88.1Confident25 Ų2574.1 Ų74.117%0.16937%0.369CS..EExtended strand (participates in β ladder)trans-119138.9177.2-72.90000111.4V213 M214 V262 K263 S265V213-C216 HydrophobicContact CB-CB 4.18Å; V213-C216 HydrophobicContact CG2-CB 3.72Å; M214-C216 PolarHBondContact O-N 3.05Å; C216-V262 HydrophobicContact CB-CG1 3.74Å; C216-K263 CarbonylContact C-O 3.56Å; C216-K263 WeakPolarHBondContact CA-O 3.17Å; C216-S265 PolarHBondContact N-OG 2.96Å
217T93.7Very high86.8Confident70 Ų7078.2 Ų78.243%0.42938%0.378SS..EExtended strand (participates in β ladder)trans-112.8130.5171.851.20000110.2V262 K263T217-V262 WeakPolarHBondContact O-CA 3.48Å; T217-K263 PolarHBondContact N-O 3.17Å; T217-K263 PolarHBondContact O-N 3.12Å; T217-K263 PolarHBondContact OG1-O 2.95Å
218V93.9Very high85.1Confident44 Ų4483.1 Ų83.127%0.26740%0.403SS..EExtended strand (participates in β ladder)trans-93.4123.5176.2-174.30000108.6T220 H260 V262 F274 Y280V218-T220 HydrophobicContact CG1-CG2 4.34Å; V218-T220 PolarHBondContact O-N 3.3Å; V218-H260 HydrophobicContact CG1-CB 3.84Å; V218-V262 HydrophobicContact CG1-CG2 4.4Å; V218-V262 HydrophobicContact CG2-CG2 4.09Å; V218-F274 HydrophobicContact CG1-CB 4.03Å; V218-F274 HydrophobicContact CG1-CD1 4.25Å; V218-F274 HydrophobicContact CG1-CG 4.32Å; V218-Y280 HydrophobicContact CG2-CE1 3.75Å
219K91.6Very high83.1Confident74 Ų7491.5 Ų91.532%0.32244%0.443SS..  trans-86.692.2172.3-71.7-156.2177.2-168.60110.1D221 E222 P261 K263K219-D221 PolarHBondContact O-N 2.72Å; K219-E222 HydrophobicContact CD-CG 4.48Å; K219-E222 VanDerWaalsContact CD-OE1 3.24Å; K219-E222 WeakPolarHBondContact CD-OE1 3.26Å; K219-E222 IonicContact NZ-OE1 3.8Å; K219-E222 PolarHBondContact NZ-OE1 2.78Å; K219-E222 PolarHBondContact O-N 3.34Å; K219-P261 HydrophobicContact CB-CG 4.14Å; K219-P261 PolarHBondContact N-O 3.36Å; K219-K263 HydrophobicContact CD-CD 4.23Å
220T86.8Confident81Confident94 Ų9495.6 Ų95.658%0.57747%0.465SS*.THydrogen-bonded Turntrans-68.6-18.1177.550.60000113.6V218 E222V218-T220 HydrophobicContact CG1-CG2 4.34Å; V218-T220 PolarHBondContact O-N 3.3Å; T220-E222 VanDerWaalsContact C-N 3.34Å
221D83.4Confident78.9Confident151 Ų151104.1 Ų104.181%0.80751%0.505SS*.THydrogen-bonded Turntrans-76.3-24.8-177.8-53.7-33.4000112.7K219K219-D221 PolarHBondContact O-N 2.72Å
222E83.6Confident76.9Confident80 Ų80110.1 Ų110.137%0.37453%0.529SS..  trans-102.4122.6-178.5-67.7171.6-152.800108.8K219 T220 P261 K263K219-E222 HydrophobicContact CD-CG 4.48Å; K219-E222 VanDerWaalsContact CD-OE1 3.24Å; K219-E222 WeakPolarHBondContact CD-OE1 3.26Å; K219-E222 IonicContact NZ-OE1 3.8Å; K219-E222 PolarHBondContact NZ-OE1 2.78Å; K219-E222 PolarHBondContact O-N 3.34Å; T220-E222 VanDerWaalsContact C-N 3.34Å; E222-P261 HydrophobicContact CB-CG 3.7Å; E222-P261 WeakPolarHBondContact O-CD 3.3Å; E222-P261 WeakPolarHBondContact OE2-CG 3.24Å; E222-K263 IonicContact OE2-NZ 2.68Å
223V84.3Confident75.3Confident73 Ų73116.7 Ų116.744%0.44256%0.557SS.*  trans-113.5113.6177.8167.50000109.8R225 I258V223-R225 HydrophobicContact CG1-CG 4.08Å; V223-I258 HydrophobicContact CB-CG2 4.37Å; V223-I258 HydrophobicContact CG1-CB 4.28Å; V223-I258 HydrophobicContact CG1-CG1 4.15Å; V223-I258 HydrophobicContact CG1-CG2 3.54Å; V223-I258 HydrophobicContact CG2-CG2 4.02Å
224L81.2Confident73.2Confident74 Ų74121.1 Ų121.139%0.38759%0.586SS.*EExtended strand (participates in β ladder)trans-87127.7168.9-74.8138.9000109.1Y259 P261 V273L224-Y259 PolarHBondContact N-O 3.11Å; L224-Y259 PolarHBondContact O-N 3.49Å; L224-P261 HydrophobicContact CD1-CB 3.86Å; L224-P261 HydrophobicContact CD1-CG 3.95Å; L224-V273 HydrophobicContact CD1-CG1 4.13Å
225R79.1Confident71.5Confident158 Ų158130.5 Ų130.560%0.59662%0.619SS**EExtended strand (participates in β ladder)trans-113.4117.8171.4-63.3-170.6-170.6-171.67.9109.3V223 D256V223-R225 HydrophobicContact CG1-CG 4.08Å; R225-D256 IonicContact CZ-OD2 3.71Å; R225-D256 IonicContact NE-OD2 3.96Å; R225-D256 IonicContact NH1-OD2 2.83Å; R225-D256 PolarHBondContact NH1-OD2 2.91Å
226Y67.9Low69.7Low186 Ų186137.3 Ų137.373%0.72965%0.646SS**  trans-89.4119.9173.9-125.8-93000109.9M228Y226-M228 PolarHBondContact O-N 2.87Å; Y226-M228 VanDerWaalsContact O-N 3.12Å
227K62.5Low68Low187 Ų187147.8 Ų147.881%0.81368%0.682SS**  trans-74.2103.8169.7-70.7-174.3178.8177.30107.8Q229K227-Q229 PolarHBondContact O-N 3.49Å
228M56.4Low65.7Low158 Ų158156.3 Ų156.378%0.77871%0.706SS**  trans-59.6112.8172.9-154.5165.869.100108Y226 Q230Y226-M228 PolarHBondContact O-N 2.87Å; Y226-M228 VanDerWaalsContact O-N 3.12Å; M228-Q230 PolarHBondContact O-N 2.83Å
229Q50.5Low63.3Low182 Ų182166 Ų16685%0.8574%0.738SS**  trans-64104.7175.6-72.8-175.85.700106.9K227 E231K227-Q229 PolarHBondContact O-N 3.49Å; Q229-E231 PolarHBondContact O-N 3.48Å
230Q49.4Very low60.7Low173 Ų173165.6 Ų165.681%0.80876%0.755SS**  trans-53.1111.2175-69.2-178.5-9.200108.4M228 K232M228-Q230 PolarHBondContact O-N 2.83Å; Q230-K232 PolarHBondContact O-N 2.96Å
231E48.9Very low58.3Low182 Ų182170 Ų17085%0.8577%0.769SS**  trans-55.2110.9168-70.6-163163.700107.3Q229 K233Q229-E231 PolarHBondContact O-N 3.48Å; E231-K233 PolarHBondContact O-N 2.76Å
232K47.6Very low55.8Low203 Ų203169.1 Ų169.188%0.88377%0.769SS**  trans-63.998-177.8-68.8178.2-178.6173.60107.9Q230Q230-K232 PolarHBondContact O-N 2.96Å
233K53.3Low53.5Low190 Ų190169.7 Ų169.783%0.82679%0.788SS**  trans-51.8128.8169.1-71.1-176.8178.61780108.8E231 R235E231-K233 PolarHBondContact O-N 2.76Å; K233-R235 PolarHBondContact O-N 3.3Å; K233-R235 VanDerWaalsContact O-N 3.15Å
234P47Very low51.2Low129 Ų129175.4 Ų175.484%0.83881%0.809SS**  trans-64.5118.4-178.424-31.9000110.1K236P234-K236 PolarHBondContact O-N 2.64Å; P234-K236 VanDerWaalsContact O-N 3.11Å
235R56Low48.8Very low244 Ų244176.1 Ų176.192%0.92183%0.826SS**  trans-69.4105.8179.2-70.9-179.9118.2124.5-1.4109.9K233 R237K233-R235 PolarHBondContact O-N 3.3Å; K233-R235 VanDerWaalsContact O-N 3.15Å; R235-R237 PolarHBondContact O-N 3.43Å
236K54.1Low47.2Very low207 Ų207173.8 Ų173.890%0.984%0.84SS**  trans-64.3114.9167.5-151.8174-172.7176.60108.4P234 R238P234-K236 PolarHBondContact O-N 2.64Å; P234-K236 VanDerWaalsContact O-N 3.11Å; K236-R238 PolarHBondContact O-N 2.78Å
237R56.3Low45.5Very low245 Ų245169.8 Ų169.893%0.92584%0.84SS**  trans-58.5118.1175.3-75.5176.6145.1-175.4-5.8109.8R235R235-R237 PolarHBondContact O-N 3.43Å
238R46Very low44.4Very low248 Ų248166.7 Ų166.794%0.93684%0.839SS**  trans-144.2128.9152.9-146.5174.1168.6-170.6-4.9111.1K236K236-R238 PolarHBondContact O-N 2.78Å
239R42.2Very low43.7Very low248 Ų248169.9 Ų169.994%0.93684%0.842SS**  trans-73.7135.9-171.6-174.3-178.8-174.6-162.22110.7
240G36.9Very low43.1Very low65 Ų65166.6 Ų166.667%0.6784%0.837SS**  trans123.9114.5151.100000118.3
241Q36.8Very low42.7Very low188 Ų188163.6 Ų163.688%0.87984%0.841SS**  trans83.6105138.7-66177.425.100121.6
242T31.6Very low42.4Very low131 Ų131158.5 Ų158.580%0.80484%0.838SS**  trans49.9117.7130.248.20000123.4
243A35.7Very low41.9Very low93 Ų93157 Ų15777%0.76984%0.836SS**  trans65.4129.1134.600000122.4
244E35.5Very low41.5Very low192 Ų192154.6 Ų154.690%0.89783%0.832SS**  trans64.593.3147.1-64.9-90.7131.700118.1
245A30.3Very low41.8Very low89 Ų89152.6 Ų152.674%0.73682%0.821SS**  trans-166.5119.6134.900000108.4S247A245-S247 PolarHBondContact O-N 3.04Å
246A45.8Very low42Very low109 Ų109144.2 Ų144.290%0.90179%0.794SS**  trans-61.1101.1169.700000109.4
247S32.9Very low42.9Very low102 Ų102138 Ų13871%0.71377%0.769SS**PPolyproline II helixtrans-72.9135.5171.3-48.80000109.7A245 R249A245-S247 PolarHBondContact O-N 3.04Å; S247-R249 PolarHBondContact O-N 3.31Å
248P39.8Very low44.3Very low122 Ų122128.6 Ų128.679%0.79274%0.736SS**PPolyproline II helixtrans-63.8124.7175.526.3-30.1000108.5
249R41.4Very low46.4Very low226 Ų226118.5 Ų118.585%0.85370%0.698SS**PPolyproline II helixtrans-53.1132.6167.7-77.5172134.1-170.1-8.4108S247 A251S247-R249 PolarHBondContact O-N 3.31Å; R249-A251 PolarHBondContact O-N 3.22Å
250P37.5Very low48.8Very low113 Ų113108.6 Ų108.673%0.73466%0.663SS**  trans-62.8110.317026.1-30.5000107.7G252P250-G252 PolarHBondContact O-N 2.83Å; P250-G252 VanDerWaalsContact O-N 3.14Å
251A41.4Very low51.5Low110 Ų110105.5 Ų105.591%0.90963%0.631SS**THydrogen-bonded Turntrans-65.8105.4168.200000107.4R249R249-A251 PolarHBondContact O-N 3.22Å
252G42Very low54.2Low75 Ų7596.6 Ų96.677%0.77359%0.589SS**THydrogen-bonded Turntrans153.44.1174.500000118.3P250P250-G252 PolarHBondContact O-N 2.83Å; P250-G252 VanDerWaalsContact O-N 3.14Å
253M38.2Very low57.2Low170 Ų17092 Ų9284%0.83756%0.558SS**SBendtrans-133.639.4-177.6-71.7-176.4113.300114.2
254D44.3Very low60.1Low141 Ų14187.6 Ų87.675%0.75452%0.521SS*.  trans-140.861.4165.7-97-48000108D256D254-D256 VanDerWaalsContact C-N 3.26Å; D254-D256 PolarHBondContact O-N 3.42Å
255S53.2Low62.9Low86 Ų8681.2 Ų81.260%0.60150%0.498SS*.  trans-76.492.5154.8540000105.7E257S255-E257 VanDerWaalsContact C-N 3.28Å; S255-E257 PolarHBondContact O-N 3.09Å
256D60.6Low66Low68 Ų6882.7 Ų82.736%0.36449%0.49SS..  trans-47.6103159.3-98.9-9.6000105.7R225 D254 I258 K276R225-D256 IonicContact CZ-OD2 3.71Å; R225-D256 IonicContact NE-OD2 3.96Å; R225-D256 IonicContact NH1-OD2 2.83Å; R225-D256 PolarHBondContact NH1-OD2 2.91Å; D254-D256 VanDerWaalsContact C-N 3.26Å; D254-D256 PolarHBondContact O-N 3.42Å; D256-I258 PolarHBondContact O-N 3.4Å; D256-I258 VanDerWaalsContact O-N 3.12Å; D256-K276 PolarHBondContact O-NZ 2.73Å
257E73Confident68.4Low78 Ų7879.2 Ų79.236%0.36446%0.459SS..  trans-65.4113.7176.4-71.6170.9-17700105.8S255 Y259S255-E257 VanDerWaalsContact C-N 3.28Å; S255-E257 PolarHBondContact O-N 3.09Å; E257-Y259 HydrophobicContact CB-CD2 4.18Å; E257-Y259 HydrophobicContact CB-CE2 3.35Å; E257-Y259 HydrophobicContact CG-CE2 4.47Å; E257-Y259 WeakPolarHBondContact O-CD2 3.42Å; E257-Y259 PolarHBondContact OE2-OH 3.31Å
258I85.9Confident71.3Confident46 Ų4678.7 Ų78.724%0.23646%0.455CS..EExtended strand (participates in β ladder)trans-97.8118.6-175.7-73.6163.6000105.1V223 D256V223-I258 HydrophobicContact CB-CG2 4.37Å; V223-I258 HydrophobicContact CG1-CB 4.28Å; V223-I258 HydrophobicContact CG1-CG1 4.15Å; V223-I258 HydrophobicContact CG1-CG2 3.54Å; V223-I258 HydrophobicContact CG2-CG2 4.02Å; D256-I258 PolarHBondContact O-N 3.4Å; D256-I258 VanDerWaalsContact O-N 3.12Å
259Y90.1Very high73.9Confident36 Ų3674.8 Ų74.814%0.14143%0.429CS..EExtended strand (participates in β ladder)trans-113.3136.7-179.9-66.1-77.5000109.6L224 E257 V273 F274 D275L224-Y259 PolarHBondContact N-O 3.11Å; L224-Y259 PolarHBondContact O-N 3.49Å; E257-Y259 HydrophobicContact CB-CD2 4.18Å; E257-Y259 HydrophobicContact CB-CE2 3.35Å; E257-Y259 HydrophobicContact CG-CE2 4.47Å; E257-Y259 WeakPolarHBondContact O-CD2 3.42Å; E257-Y259 PolarHBondContact OE2-OH 3.31Å; Y259-V273 HydrophobicContact CD1-CB 4.38Å; Y259-V273 HydrophobicContact CD1-CG2 4.02Å; Y259-V273 HydrophobicContact CG-CG2 4.46Å; Y259-F274 WeakPolarHBondContact CA-O 3.32Å; Y259-D275 HydrophobicContact CD1-CB 3.99Å; Y259-D275 HydrophobicContact CE1-CB 3.78Å; Y259-D275 VanDerWaalsContact CE1-CG 3.49Å
260H91.2Very high76.4Confident41 Ų4167.5 Ų67.519%0.1940%0.404CS..EExtended strand (participates in β ladder)trans-106.4129.5175.4-56.691.1000109.4V218 V273 F274V218-H260 HydrophobicContact CG1-CB 3.84Å; H260-V273 CarbonylContact O-C 3.48Å; H260-V273 VanDerWaalsContact O-CA 3.31Å; H260-V273 WeakPolarHBondContact O-CA 3.42Å; H260-F274 HydrophobicContact CB-CB 4.38Å; H260-F274 PolarHBondContact N-O 3.07Å; H260-F274 PolarHBondContact O-N 3.41Å
261P93.3Very high79.1Confident0 Ų062.1 Ų62.10%037%0.369CS..EExtended strand (participates in β ladder)trans-68.7143.1-179.524-24.6000111K219 E222 L224 E270K219-P261 HydrophobicContact CB-CG 4.14Å; K219-P261 PolarHBondContact N-O 3.36Å; E222-P261 HydrophobicContact CB-CG 3.7Å; E222-P261 WeakPolarHBondContact O-CD 3.3Å; E222-P261 WeakPolarHBondContact OE2-CG 3.24Å; L224-P261 HydrophobicContact CD1-CB 3.86Å; L224-P261 HydrophobicContact CD1-CG 3.95Å; P261-E270 HydrophobicContact CB-CG 4.44Å
262V94.5Very high81.6Confident0 Ų056.9 Ų56.90%033%0.326CS..EExtended strand (participates in β ladder)trans-119.4126.3-177.8-1760000108.9C216 T217 V218 V271 A272 F274 Y280C216-V262 HydrophobicContact CB-CG1 3.74Å; T217-V262 WeakPolarHBondContact O-CA 3.48Å; V218-V262 HydrophobicContact CG1-CG2 4.4Å; V218-V262 HydrophobicContact CG2-CG2 4.09Å; V262-V271 WeakPolarHBondContact O-CG2 3.5Å; V262-V271 PolarHBondContact O-N 3.48Å; V262-A272 WeakPolarHBondContact CA-O 3.2Å; V262-A272 HydrophobicContact CB-CB 3.9Å; V262-A272 WeakPolarHBondContact CB-O 3.44Å; V262-A272 HydrophobicContact CG1-CB 4.4Å; V262-A272 HydrophobicContact CG2-CB 4.39Å; V262-A272 PolarHBondContact N-O 3.19Å; V262-A272 PolarHBondContact O-N 3.04Å; V262-F274 HydrophobicContact CG2-CB 3.7Å; V262-Y280 HydrophobicContact CG1-CD1 4.16Å; V262-Y280 HydrophobicContact CG1-CE1 4.15Å; V262-Y280 HydrophobicContact CG2-CD1 3.94Å; V262-Y280 HydrophobicContact CG2-CE1 4.06Å
263K95.2Very high84Confident34 Ų3454.5 Ų54.515%0.14830%0.296CS..EExtended strand (participates in β ladder)trans-117.2148.7-175.7-50.1-160.7-173.5-166.80110.8C216 T217 K219 E222 S268 T269 E270C216-K263 CarbonylContact C-O 3.56Å; C216-K263 WeakPolarHBondContact CA-O 3.17Å; T217-K263 PolarHBondContact N-O 3.17Å; T217-K263 PolarHBondContact O-N 3.12Å; T217-K263 PolarHBondContact OG1-O 2.95Å; K219-K263 HydrophobicContact CD-CD 4.23Å; E222-K263 IonicContact OE2-NZ 2.68Å; K263-S268 WeakPolarHBondContact CD-O 3.47Å; K263-T269 CarbonylContact C-O 3.58Å; K263-T269 VanDerWaalsContact CA-O 3.23Å; K263-T269 WeakPolarHBondContact CA-O 3.47Å; K263-E270 HydrophobicContact CG-CB 4.49Å
264C95.9Very high86.6Confident1 Ų148.3 Ų48.31%0.00727%0.265CS..EExtended strand (participates in β ladder)trans-62.6138.8170.1-177.90000109.8L194 E266 S268 T269L194-C264 HydrophobicContact CD2-CB 4.35Å; C264-E266 VanDerWaalsContact C-N 3.33Å; C264-S268 WeakPolarHBondContact O-CA 3.35Å; C264-S268 PolarHBondContact O-N 2.94Å; C264-T269 PolarHBondContact N-O 2.83Å
265S95.3Very high88.8Confident59 Ų5942.4 Ų42.441%0.41323%0.233SC..THydrogen-bonded Turntrans-72.5-29.7-179.6-50.40000112.1N215 C216N215-S265 WeakPolarHBondContact O-CB 3.5Å; N215-S265 PolarHBondContact O-N 2.98Å; N215-S265 PolarHBondContact O-OG 3.06Å; C216-S265 PolarHBondContact N-OG 2.96Å
266E94.9Very high90.3Very high120 Ų12043.4 Ų43.456%0.56123%0.227SC*.THydrogen-bonded Turntrans-81.5-47.5-175.8-51.9-56.4150.800112.2T192 N215 C264T192-E266 HydrophobicContact CG2-CG 3.93Å; N215-E266 PolarHBondContact ND2-OE1 2.83Å; C264-E266 VanDerWaalsContact C-N 3.33Å
267C94.8Very high91.5Very high36 Ų3646.1 Ų46.124%0.24324%0.242CC..THydrogen-bonded Turntrans-116.61.9-172.469.80000114.2C187 A189 C190 T269C187-C267 PolarHBondContact SG-SG 3.21Å; A189-C267 HydrophobicContact CB-CB 4.4Å; C190-C267 HydrophobicContact CB-CB 3.97Å; C190-C267 PolarHBondContact SG-SG 3.01Å; C267-T269 PolarHBondContact O-N 3.01Å; C267-T269 PolarHBondContact SG-OG1 3.47Å
268S93.8Very high92.2Very high90 Ų9048.9 Ų48.963%0.62925%0.254SS*.  trans59.31018073.20000116.5K263 C264K263-S268 WeakPolarHBondContact CD-O 3.47Å; C264-S268 WeakPolarHBondContact O-CA 3.35Å; C264-S268 PolarHBondContact O-N 2.94Å
269T94.6Very high92.4Very high40 Ų4047.5 Ų47.525%0.24525%0.248CC..  trans-66.6136.5176.2-54.20000110.8P188 A189 K263 C264 C267 V271P188-T269 HydrophobicContact CG-CG2 4.34Å; A189-T269 WeakPolarHBondContact CB-OG1 3.41Å; K263-T269 CarbonylContact C-O 3.58Å; K263-T269 VanDerWaalsContact CA-O 3.23Å; K263-T269 WeakPolarHBondContact CA-O 3.47Å; C264-T269 PolarHBondContact N-O 2.83Å; C267-T269 PolarHBondContact O-N 3.01Å; C267-T269 PolarHBondContact SG-OG1 3.47Å; T269-V271 HydrophobicContact CG2-CG1 4.45Å; T269-V271 PolarHBondContact O-N 2.95Å
270E93.9Very high92.6Very high73 Ų7347.6 Ų47.634%0.34125%0.249SC..EExtended strand (participates in β ladder)trans-75.1121.3174.1-171174.1163.500110.6P261 K263P261-E270 HydrophobicContact CB-CG 4.44Å; K263-E270 HydrophobicContact CG-CB 4.49Å
271V93.9Very high92.7Very high0 Ų047.2 Ų47.20%025%0.247CC..EExtended strand (participates in β ladder)trans-123.8-26.4-168.7-700000112.7L194 V262 T269 F282 F283 I285L194-V271 HydrophobicContact CD1-CB 3.99Å; L194-V271 HydrophobicContact CD1-CG1 3.93Å; L194-V271 HydrophobicContact CD1-CG2 3.95Å; V262-V271 WeakPolarHBondContact O-CG2 3.5Å; V262-V271 PolarHBondContact O-N 3.48Å; T269-V271 HydrophobicContact CG2-CG1 4.45Å; T269-V271 PolarHBondContact O-N 2.95Å; V271-F282 HydrophobicContact CB-CD1 4.46Å; V271-F282 HydrophobicContact CG2-CE1 4.24Å; V271-F283 PolarHBondContact O-N 2.93Å; V271-I285 HydrophobicContact CB-CG2 4.21Å
272A93.9Very high92.7Very high0 Ų047.2 Ų47.20%025%0.247CC..EExtended strand (participates in β ladder)trans-152.7172.9-176.200000112.9V262 H281 F282V262-A272 WeakPolarHBondContact CA-O 3.2Å; V262-A272 HydrophobicContact CB-CB 3.9Å; V262-A272 WeakPolarHBondContact CB-O 3.44Å; V262-A272 HydrophobicContact CG1-CB 4.4Å; V262-A272 HydrophobicContact CG2-CB 4.39Å; V262-A272 PolarHBondContact N-O 3.19Å; V262-A272 PolarHBondContact O-N 3.04Å; A272-H281 CarbonylContact C-O 3.52Å; A272-H281 WeakPolarHBondContact CA-O 3.48Å; A272-H281 WeakPolarHBondContact CB-O 3.38Å; A272-F282 HydrophobicContact CB-CB 4.43Å; A272-F282 HydrophobicContact CB-CD1 3.47Å; A272-F282 VanDerWaalsContact CB-CD1 3.47Å; A272-F282 HydrophobicContact CB-CD2 4.37Å; A272-F282 HydrophobicContact CB-CE1 3.71Å; A272-F282 HydrophobicContact CB-CG 3.85Å; A272-F282 HydrophobicContact CB-CZ 4.26Å
273V93Very high92.6Very high25 Ų2551.6 Ų51.615%0.15227%0.266CS..EExtended strand (participates in β ladder)trans-121.6148.9163.5-71.60000110.5L224 Y259 H260 H281 F283L224-V273 HydrophobicContact CD1-CG1 4.13Å; Y259-V273 HydrophobicContact CD1-CB 4.38Å; Y259-V273 HydrophobicContact CD1-CG2 4.02Å; Y259-V273 HydrophobicContact CG-CG2 4.46Å; H260-V273 CarbonylContact O-C 3.48Å; H260-V273 VanDerWaalsContact O-CA 3.31Å; H260-V273 WeakPolarHBondContact O-CA 3.42Å; V273-H281 HydrophobicContact CG2-CB 3.88Å; V273-H281 PolarHBondContact N-O 3.03Å; V273-H281 PolarHBondContact O-N 3.36Å; V273-F283 HydrophobicContact CG1-CE1 4.03Å; V273-F283 HydrophobicContact CG2-CE1 4.42Å
274F93.1Very high92.2Very high41 Ų4153.7 Ų53.718%0.1828%0.279CS..EExtended strand (participates in β ladder)trans-109.6125.4179.2-176-107.1000109.9V218 Y259 H260 V262 E278 Y280V218-F274 HydrophobicContact CG1-CB 4.03Å; V218-F274 HydrophobicContact CG1-CD1 4.25Å; V218-F274 HydrophobicContact CG1-CG 4.32Å; Y259-F274 WeakPolarHBondContact CA-O 3.32Å; H260-F274 HydrophobicContact CB-CB 4.38Å; H260-F274 PolarHBondContact N-O 3.07Å; H260-F274 PolarHBondContact O-N 3.41Å; V262-F274 HydrophobicContact CG2-CB 3.7Å; F274-E278 VanDerWaalsContact CE2-C 3.47Å; F274-E278 HydrophobicContact CE2-CB 4.25Å; F274-E278 VanDerWaalsContact CZ-CA 3.45Å; F274-E278 HydrophobicContact CZ-CB 3.9Å; F274-E278 HydrophobicContact CZ-CG 4.16Å; F274-Y280 HydrophobicContact CB-CD1 4.48Å; F274-Y280 HydrophobicContact CB-CE1 4.44Å; F274-Y280 AromaticContact CD2-CD1 3.82Å; F274-Y280 HydrophobicContact CD2-CD1 3.82Å; F274-Y280 AromaticContact CD2-CD2 3.97Å; F274-Y280 HydrophobicContact CD2-CD2 3.97Å; F274-Y280 AromaticContact CD2-CE1 3.57Å; F274-Y280 HydrophobicContact CD2-CE1 3.57Å; F274-Y280 AromaticContact CD2-CE2 3.74Å; F274-Y280 HydrophobicContact CD2-CE2 3.74Å; F274-Y280 HydrophobicContact CD2-CG 4Å; F274-Y280 AromaticContact CD2-CZ 3.53Å; F274-Y280 HydrophobicContact CE2-CD2 4.11Å; F274-Y280 HydrophobicContact CE2-CE1 4.17Å; F274-Y280 AromaticContact CE2-CE2 3.6Å; F274-Y280 HydrophobicContact CE2-CE2 3.6Å; F274-Y280 AromaticContact CE2-CZ 3.62Å; F274-Y280 HydrophobicContact CG-CE1 4.32Å
275D90.4Very high92Very high16 Ų1654.8 Ų54.89%0.08628%0.284CS..  trans-95.3171.3-176.2-1656.7000112.2Y259 D277 E278 V279 H281Y259-D275 HydrophobicContact CD1-CB 3.99Å; Y259-D275 HydrophobicContact CE1-CB 3.78Å; Y259-D275 VanDerWaalsContact CE1-CG 3.49Å; D275-D277 PolarHBondContact O-N 3.1Å; D275-E278 PolarHBondContact O-N 3.34Å; D275-V279 PolarHBondContact N-O 2.84Å; D275-V279 VanDerWaalsContact N-O 3.07Å; D275-H281 IonicContact OD2-CE1 2.69Å
276K85.1Confident92Very high108 Ų10855.2 Ų55.247%0.4728%0.282SS..THydrogen-bonded Turntrans-63.9-27.6175.6-63.5-179.1-174.11690113.5D256 E278D256-K276 PolarHBondContact O-NZ 2.73Å; K276-E278 PolarHBondContact O-N 3.42Å
277D84.8Confident91.9Very high125 Ų12551.2 Ų51.267%0.66827%0.269SS*.THydrogen-bonded Turntrans-79.113.6177.1-66.2-22.8000112.7D275 V279D275-D277 PolarHBondContact O-N 3.1Å; D277-V279 HydrophobicContact CB-CG2 4.27Å; D277-V279 WeakPolarHBondContact O-CG2 3.25Å; D277-V279 PolarHBondContact O-N 3.45Å
278E88.3Confident91.7Very high135 Ų13552.5 Ų52.563%0.63128%0.278SS*.SBendtrans59.528.9-177.6-54-177.8155.400113.7F274 D275 K276F274-E278 VanDerWaalsContact CE2-C 3.47Å; F274-E278 HydrophobicContact CE2-CB 4.25Å; F274-E278 VanDerWaalsContact CZ-CA 3.45Å; F274-E278 HydrophobicContact CZ-CB 3.9Å; F274-E278 HydrophobicContact CZ-CG 4.16Å; D275-E278 PolarHBondContact O-N 3.34Å; K276-E278 PolarHBondContact O-N 3.42Å
279V91Very high91.3Very high18 Ų1853.6 Ų53.611%0.10927%0.273CS..  trans-106.7132.7179.3-177.10000111.1R209 D275 D277 H281R209-V279 HydrophobicContact CB-CG1 4.1Å; D275-V279 PolarHBondContact N-O 2.84Å; D275-V279 VanDerWaalsContact N-O 3.07Å; D277-V279 HydrophobicContact CB-CG2 4.27Å; D277-V279 WeakPolarHBondContact O-CG2 3.25Å; D277-V279 PolarHBondContact O-N 3.45Å; V279-H281 PolarHBondContact O-ND1 2.73Å
280Y93.4Very high89.7Confident38 Ų3860 Ų6015%0.14932%0.318CS..EExtended strand (participates in β ladder)trans-85.9126172.2-63.6-94.1000110.5R209 A210 V213 V218 V262 F274R209-Y280 CarbonylContact C-O 3.57Å; R209-Y280 VanDerWaalsContact CA-O 3.28Å; R209-Y280 WeakPolarHBondContact CA-O 3.21Å; A210-Y280 PolarHBondContact N-O 3.47Å; A210-Y280 WeakPolarHBondContact O-CB 3.14Å; A210-Y280 PolarHBondContact O-N 2.99Å; V213-Y280 HydrophobicContact CG1-CD1 3.87Å; V213-Y280 HydrophobicContact CG1-CD2 3.64Å; V213-Y280 HydrophobicContact CG1-CE1 4.32Å; V213-Y280 HydrophobicContact CG1-CE2 4.1Å; V213-Y280 HydrophobicContact CG1-CG 3.52Å; V213-Y280 HydrophobicContact CG2-CD1 4.01Å; V213-Y280 HydrophobicContact CG2-CD2 4.17Å; V213-Y280 HydrophobicContact CG2-CE1 3.6Å; V213-Y280 HydrophobicContact CG2-CE2 3.77Å; V213-Y280 HydrophobicContact CG2-CG 4.28Å; V213-Y280 VanDerWaalsContact CG2-CZ 3.47Å; V218-Y280 HydrophobicContact CG2-CE1 3.75Å; V262-Y280 HydrophobicContact CG1-CD1 4.16Å; V262-Y280 HydrophobicContact CG1-CE1 4.15Å; V262-Y280 HydrophobicContact CG2-CD1 3.94Å; V262-Y280 HydrophobicContact CG2-CE1 4.06Å; F274-Y280 HydrophobicContact CB-CD1 4.48Å; F274-Y280 HydrophobicContact CB-CE1 4.44Å; F274-Y280 AromaticContact CD2-CD1 3.82Å; F274-Y280 HydrophobicContact CD2-CD1 3.82Å; F274-Y280 AromaticContact CD2-CD2 3.97Å; F274-Y280 HydrophobicContact CD2-CD2 3.97Å; F274-Y280 AromaticContact CD2-CE1 3.57Å; F274-Y280 HydrophobicContact CD2-CE1 3.57Å; F274-Y280 AromaticContact CD2-CE2 3.74Å; F274-Y280 HydrophobicContact CD2-CE2 3.74Å; F274-Y280 HydrophobicContact CD2-CG 4Å; F274-Y280 AromaticContact CD2-CZ 3.53Å; F274-Y280 HydrophobicContact CE2-CD2 4.11Å; F274-Y280 HydrophobicContact CE2-CE1 4.17Å; F274-Y280 AromaticContact CE2-CE2 3.6Å; F274-Y280 HydrophobicContact CE2-CE2 3.6Å; F274-Y280 AromaticContact CE2-CZ 3.62Å; F274-Y280 HydrophobicContact CG-CE1 4.32Å
281H93.1Very high89.5Confident32 Ų3259.4 Ų59.415%0.14832%0.317CS..EExtended strand (participates in β ladder)trans-110.1107175.6-63.682.9000109.6R209 A272 V273 D275 V279R209-H281 PolarHBondContact NE-NE2 3.36Å; R209-H281 VanDerWaalsContact NE-NE2 3.17Å; A272-H281 CarbonylContact C-O 3.52Å; A272-H281 WeakPolarHBondContact CA-O 3.48Å; A272-H281 WeakPolarHBondContact CB-O 3.38Å; V273-H281 HydrophobicContact CG2-CB 3.88Å; V273-H281 PolarHBondContact N-O 3.03Å; V273-H281 PolarHBondContact O-N 3.36Å; D275-H281 IonicContact OD2-CE1 2.69Å; V279-H281 PolarHBondContact O-ND1 2.73Å
282F94.6Very high89.2Confident1 Ų162.5 Ų62.50%0.00433%0.333CS..EExtended strand (participates in β ladder)trans-90.2135.6178.8-67.9-87.6000111.2L185 L194 Q207 Y208 A210 V213 V271 A272 I285L185-F282 HydrophobicContact CD1-CB 4.23Å; L185-F282 HydrophobicContact CD1-CD1 4.43Å; L185-F282 HydrophobicContact CD1-CD2 3.61Å; L185-F282 HydrophobicContact CD1-CE2 4.01Å; L185-F282 HydrophobicContact CD1-CG 3.84Å; L194-F282 HydrophobicContact CB-CE1 4.32Å; L194-F282 HydrophobicContact CD1-CE1 4.23Å; Q207-F282 WeakPolarHBondContact CA-O 3.43Å; Q207-F282 WeakPolarHBondContact CB-O 3.34Å; Y208-F282 PolarHBondContact N-O 3.4Å; Y208-F282 VanDerWaalsContact N-O 3.1Å; Y208-F282 PolarHBondContact O-N 3.36Å; A210-F282 HydrophobicContact CB-CD2 4.45Å; A210-F282 HydrophobicContact CB-CE2 3.93Å; V213-F282 HydrophobicContact CB-CZ 4.38Å; V213-F282 HydrophobicContact CG1-CE2 3.7Å; V213-F282 HydrophobicContact CG1-CZ 3.49Å; V213-F282 VanDerWaalsContact CG1-CZ 3.49Å; V271-F282 HydrophobicContact CB-CD1 4.46Å; V271-F282 HydrophobicContact CG2-CE1 4.24Å; A272-F282 HydrophobicContact CB-CB 4.43Å; A272-F282 HydrophobicContact CB-CD1 3.47Å; A272-F282 VanDerWaalsContact CB-CD1 3.47Å; A272-F282 HydrophobicContact CB-CD2 4.37Å; A272-F282 HydrophobicContact CB-CE1 3.71Å; A272-F282 HydrophobicContact CB-CG 3.85Å; A272-F282 HydrophobicContact CB-CZ 4.26Å; F282-I285 HydrophobicContact CB-CG1 3.87Å; F282-I285 HydrophobicContact CB-CG2 3.99Å; F282-I285 HydrophobicContact CD1-CG2 3.48Å; F282-I285 VanDerWaalsContact CD1-CG2 3.48Å; F282-I285 HydrophobicContact CE1-CG2 4.35Å; F282-I285 HydrophobicContact CG-CG2 4.12Å
283F90.8Very high89Confident91 Ų9165.9 Ų65.940%0.39935%0.352SS..  trans-136.3-19.6179.355.2-90.8000114.2Q207 V271 V273Q207-F283 HydrophobicContact CG-CB 4.14Å; V271-F283 PolarHBondContact O-N 2.93Å; V273-F283 HydrophobicContact CG1-CE1 4.03Å; V273-F283 HydrophobicContact CG2-CE1 4.42Å
284N87.8Confident88.7Confident78 Ų7868.4 Ų68.442%0.41736%0.364SS..SBendtrans-122.570.3177-17333.2000109.7P188P188-N284 WeakPolarHBondContact CD-O 3.33Å; P188-N284 WeakPolarHBondContact CG-O 3.43Å
285I92.5Very high88.4Confident24 Ų2470.1 Ų70.112%0.12338%0.375CS..  trans-134.8162.5-176.956.366.5000112.1L185 L194 Y208 V271 F282 A287L185-I285 HydrophobicContact CD2-CD1 3.78Å; L185-I285 HydrophobicContact CD2-CG1 4.21Å; L194-I285 HydrophobicContact CD1-CG2 4.24Å; Y208-I285 HydrophobicContact CD2-CD1 3.63Å; Y208-I285 HydrophobicContact CD2-CG1 4.29Å; Y208-I285 HydrophobicContact CE2-CD1 3.73Å; V271-I285 HydrophobicContact CB-CG2 4.21Å; F282-I285 HydrophobicContact CB-CG1 3.87Å; F282-I285 HydrophobicContact CB-CG2 3.99Å; F282-I285 HydrophobicContact CD1-CG2 3.48Å; F282-I285 VanDerWaalsContact CD1-CG2 3.48Å; F282-I285 HydrophobicContact CE1-CG2 4.35Å; F282-I285 HydrophobicContact CG-CG2 4.12Å; I285-A287 HydrophobicContact CD1-CB 3.97Å
286L93.9Very high88.3Confident69 Ų6973.7 Ų73.736%0.36139%0.394SS..EExtended strand (participates in β ladder)trans-100.4120.2168.5-61.2175000108.4N186 P188 M191N186-L286 HydrophobicContact CB-CB 4.34Å; N186-L286 PolarHBondContact N-O 3.46Å; N186-L286 PolarHBondContact O-N 3.38Å; P188-L286 HydrophobicContact CB-CG 4.31Å; M191-L286 HydrophobicContact CE-CD1 3.34Å; M191-L286 HydrophobicContact SD-CD1 3.31Å; M191-L286 WeakPolarHBondContact SD-CD1 3.26Å
287A93.5Very high88.5Confident36 Ų3671.2 Ų71.230%0.29839%0.389SS..EExtended strand (participates in β ladder)trans-102.6119.8179.700000109.8A183 V184 L185 Y208 I285A183-A287 HydrophobicContact CB-CB 4.06Å; V184-A287 WeakPolarHBondContact O-CA 3.46Å; L185-A287 HydrophobicContact CD2-CB 4.14Å; Y208-A287 HydrophobicContact CE2-CB 3.67Å; Y208-A287 WeakPolarHBondContact OH-CB 3.02Å; I285-A287 HydrophobicContact CD1-CB 3.97Å
288S90.6Very high88.8Confident62 Ų6267.1 Ų67.143%0.43437%0.368SS..EExtended strand (participates in β ladder)trans-98.3121.4171-62.20000108.8A183 V184A183-S288 WeakPolarHBondContact CA-O 3.18Å; V184-S288 PolarHBondContact N-O 3Å; V184-S288 PolarHBondContact O-N 3.2Å
289H85.5Confident88.9Confident113 Ų11361.4 Ų61.452%0.52335%0.346SS..PPolyproline II helixtrans-95132.6174.3-62.2-70000109D182 Y208D182-H289 PolarHBondContact O-ND1 3.15Å; Y208-H289 PolarHBondContact OH-CE1 3.05Å; Y208-H289 VanDerWaalsContact OH-CE1 3.3Å; Y208-H289 PolarHBondContact OH-NE2 2.92Å
290C59.9Low88.7Confident175 Ų17565.4 Ų65.4100%1.18237%0.367SS*.  trans-89.30171.355.70000110.9

Retrieved 290 of 290 residues in 241.5 ms (Link to these results)