A0A3Q0KTE7_SCHMA Loading...

Putative collagen alpha chain

AlphaFold DB , UniProt , Accession A0A3Q0KTE7, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 325 aa.

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Site Residue pLDDT pLDDT confidence pLDDT10 pLDDT10 confidence SASA SASA [Ų] SASA10 SASA10 [Ų] RSA RSA unformatted RSA10 RSA10 unformatted Surface Surface10 (not used) Disorder (not used) Disorder Sec. str. Secondary structure Isomer Phi (φ) Psi (ψ) Omega (ω) Chi 1 (χ1) Chi 2 (χ2) Chi 3 (χ3) Chi 4 (χ4) Chi 5 (χ5) Tau (τ) Contacts (colored by PAE) Contact details
1M37.4Very low36.5Very low235 Ų235167.9 Ų167.9100%1.15879%0.794SS**  0123.40-60.9-180-169.900105.7
2Q33Very low36.4Very low162 Ų162163 Ų16376%0.75778%0.776SS**  49.4122.491.1-68.3-163.927.500112.2
3K38Very low36.5Very low160 Ų160162.9 Ų162.970%0.69677%0.771SS**  cis-149.4150.86.3-104.9157.7179.8167.60112.1
4E34.6Very low36.1Very low164 Ų164163.4 Ų163.477%0.76677%0.772SS**  trans-9.2131.8135.8-59.8158.5117.800116.9
5F40.7Very low35.7Very low217 Ų217162.3 Ų162.395%0.95277%0.772SS**  -150.3119.7128-114.7-73.1000110.7
6N36.4Very low35.6Very low143 Ų143163.2 Ų163.277%0.76578%0.78SS**  trans-143.7-178.9171.2-153.116.5000103.8
7P44.8Very low35.4Very low90 Ų90160.5 Ų160.558%0.58478%0.777SS**  cis-117.4-163.2-26.922.20.5000111
8I34Very low35.2Very low138 Ų138158.9 Ų158.971%0.70877%0.773SS**  164.7145.1114.3-86.8158.2000114.6
9H36.2Very low35Very low162 Ų162159.8 Ų159.875%0.7577%0.772SS**  trans63.991.8165-73-44.6000122.3
10H36Very low34.8Very low171 Ų171158.6 Ų158.679%0.79277%0.77SS**  62.6115.5104.3-96.7-84.9000121.9
11Y30.5Very low34.8Very low205 Ų205160.2 Ų160.280%0.80478%0.776SS**  trans-45.6158.1137.1-72.6-110.3000111.4
12D35.9Very low34.7Very low109 Ų109153.7 Ų153.758%0.58375%0.753SS**  -173.9169.856.8-157.7-6000114.1
13K36.9Very low34.7Very low162 Ų162153.5 Ų153.570%0.70476%0.758SS**  trans53.9113.8163.5-76.8134.9-168.91540118.7
14Q31.7Very low34.6Very low170 Ų170153.2 Ų153.279%0.79476%0.764SS**  80.1134.767.9-78.7-154.59.800115.7
15L29.1Very low34.8Very low147 Ų147152.6 Ų152.677%0.7777%0.766SS**  trans27.5113.6161.6-70.787000119.2
16I35.1Very low34.9Very low176 Ų176146.4 Ų146.490%0.90375%0.749SS**  trans-148149.3133.6-101.4144.3000109
17T31.9Very low35Very low118 Ų118146.8 Ų146.872%0.72475%0.751SS**  trans-97.6164.9-178.251.60000112.5
18N31Very low34.8Very low131 Ų131149.5 Ų149.570%0.70176%0.761SS**  trans90.2118.8167-60.8-72000120
19K32.5Very low35.2Very low176 Ų176147.7 Ų147.777%0.76576%0.76SS**  trans67.9123.6130.2-71.5-179176.1174.40121.8
20N31.3Very low35.4Very low135 Ų135147 Ų14772%0.72276%0.762SS**  trans70.287.5130.8-59.19.1000119.9
21H33.8Very low35.6Very low194 Ų194149.9 Ų149.990%0.89877%0.766SS**  trans-157.1151.2142.1-88-55.7000108.7
22S36.3Very low36.2Very low97 Ų97144.3 Ų144.368%0.67876%0.757SS**  cis-153.7147.3-19.8-171.90000108.4
23N32.8Very low36.5Very low159 Ų159146 Ų14685%0.8577%0.766SS**  trans-67.1141.2165.8-86.8-13.7000109.9
24N35.7Very low36.7Very low154 Ų154142.8 Ų142.882%0.82476%0.764SS**  trans-144.787.2167.5-110.5-11.2000109.4
25N39.2Very low37.2Very low151 Ų151141.7 Ų141.781%0.80776%0.763SS**  trans-163.1106.9147.8-113.7-40.4000112.7
26S41.1Very low37.8Very low86 Ų86140.2 Ų140.260%0.60176%0.76SS**  57.3100.6125.8-51.60000120.2
27N40.3Very low38Very low151 Ų151137.5 Ų137.581%0.80776%0.757SS**  trans91.2134.2133.8-54.6-21.4000121.4
28N39.3Very low38.3Very low147 Ų147135.9 Ų135.979%0.78676%0.764SS**  trans68.889.6152.4-66.9-7.6000121.5
29S42Very low38.6Very low100 Ų100135 Ų13570%0.69977%0.768SS**  98.8139.3113.779.20000121
30N41.8Very low38.9Very low147 Ų147133.9 Ų133.979%0.78677%0.769SS**  trans75.690.8150.2-62.5-24.4000121.6
31R39.9Very low39.3Very low232 Ų232134.1 Ų134.188%0.87577%0.77SS**  93.8108.3117.1-118.7-179.5-178161.70.3121
32S43.2Very low39.5Very low88 Ų88130.8 Ų130.862%0.61576%0.763SS**  76.2126.6129.553.80000122.9
33N40.9Very low39.9Very low145 Ų145131.9 Ų131.978%0.77577%0.768SS**  trans76.2106.6144.2-61.59000117.2
34S42.7Very low40.3Very low94 Ų94132.8 Ų132.866%0.65777%0.767SS**  80.6139.366.677.30000113.3
35N40.4Very low41Very low147 Ų147131 Ų13179%0.78676%0.764SS**  cis-166.3168.85.3-128.5-6.1000111.2
36V42.4Very low41Very low116 Ų116131.1 Ų131.170%0.70376%0.763SS**  trans57.8103.5151.4174.10000116.7
37S38.7Very low41.4Very low120 Ų120133.4 Ų133.484%0.83977%0.773SS**  67.1120.878.9-57.60000115.7
38G39.5Very low41.2Very low84 Ų84131.4 Ų131.487%0.86677%0.766SS**  trans173.1133171.100000112.3
39S38Very low41.4Very low112 Ų112132.2 Ų132.278%0.78377%0.769SS**  trans-125.8170.2-175.756.10000112.3
40L38.7Very low41.4Very low152 Ų152131.7 Ų131.780%0.79677%0.771SS**  trans97.8119.3153.7-138.673.7000118.5
41L38.9Very low41.3Very low141 Ų141131.2 Ų131.274%0.73877%0.773SS**  trans52.5119.1149.2-67.4168.7000122.7
42T38.5Very low41.3Very low123 Ų123127.9 Ų127.976%0.75577%0.773SS**  trans24.3151.413258.70000122.2
43P44.3Very low41.2Very low120 Ų120131.9 Ų131.978%0.77978%0.781SS**  cis-137.8-163.422.940.1-19.1000116
44H40.9Very low41.6Very low178 Ų178131.7 Ų131.782%0.82478%0.78SS**  trans-69.1165.8-176.1-54.7-85.1000116.2
45P49.7Very low41.6Very low117 Ų117134.9 Ų134.976%0.7679%0.79SS**  -118.5148.9128.635.9-31.5000113
46I39.2Very low41.8Very low153 Ų153138.8 Ų138.879%0.78579%0.794SS**  trans-89.6139.5169-66.5167.8000108.6
47V50.2Low42Very low135 Ų135140.7 Ų140.782%0.81881%0.806SS**  trans-117.8125.2170.8-178.80000109.4
48T36.6Very low42.1Very low108 Ų108138 Ų13866%0.66380%0.797SS**  trans-111.2172.5176.9-46.70000108.6
49I42.2Very low42.1Very low165 Ų165142 Ų14285%0.84680%0.797SS**  trans81.9137.5172.3-50.9155.8000112.2
50A42.2Very low42.3Very low89 Ų89144 Ų14474%0.73679%0.794SS**  cis-131.3165.82.500000112.7
51T41.1Very low42.7Very low137 Ų137144.5 Ų144.584%0.8479%0.792SS**  trans-75.4153.6163.247.30000112
52N39.3Very low43.3Very low162 Ų162146.9 Ų146.987%0.86680%0.799SS**  trans-144.7140.7141.7-144.4-18.2000110
53H42Very low44.1Very low171 Ų171146.8 Ų146.879%0.79279%0.793SS**  trans-122.865.2-156-166.7-40.2000113.1
54N48.5Very low44.6Very low141 Ų141148.6 Ų148.675%0.75479%0.793SS**  trans-138.6121163.8-76-37.4000105.4
55D43.6Very low45.6Very low162 Ų162146.3 Ų146.387%0.86678%0.783SS**  -160.7172.758.4-97.5-41.2000112.8
56R42.7Very low46.6Very low229 Ų229146.1 Ų146.186%0.86478%0.775SS**  trans-100.4160.9-179-79.4176.8167.1161.3-4.6112.8
57T47Very low48.7Very low156 Ų156143.1 Ų143.196%0.95777%0.766SS**  trans77.6151.4172.378.90000115.4
58G41.5Very low50.3Low63 Ų63145.5 Ų145.565%0.64976%0.762SS**  trans115.651.6178.900000115.9Q60G58-Q60 VanDerWaalsContact C-N 3.34Å; G58-Q60 PolarHBondContact O-N 3.41Å
59I39Very low52.6Low168 Ų168144.4 Ų144.486%0.86275%0.746SS**  trans-67.397.4161.9-58.9173.4000107.3
60Q42.5Very low54.8Low155 Ų155140.3 Ų140.372%0.72472%0.722SS**  trans-101.9117.8171.2-66.9-141.11.900110.2G58 H62G58-Q60 VanDerWaalsContact C-N 3.34Å; G58-Q60 PolarHBondContact O-N 3.41Å; Q60-H62 PolarHBondContact O-N 3.24Å
61H46Very low57.1Low161 Ų161141.7 Ų141.775%0.74572%0.716SS**  trans-57.7125.5157.9-74.5-122.8000107.5N63H61-N63 PolarHBondContact O-N 2.97Å
62H52.5Low59.5Low192 Ų192139.8 Ų139.889%0.88970%0.701SS**  trans-62.8104173.4-89.7-80.6000109Q60 M64Q60-H62 PolarHBondContact O-N 3.24Å; H62-M64 PolarHBondContact O-N 3.33Å
63N54.3Low61.9Low120 Ų120137.7 Ų137.764%0.64269%0.687SS**  trans-61.6120-174.3-74.1-60.8000110.4H61 H65H61-N63 PolarHBondContact O-N 2.97Å; N63-H65 HydrophobicContact CB-CB 4.35Å; N63-H65 PolarHBondContact O-N 3.15Å
64M55.5Low64.4Low158 Ų158134.4 Ų134.478%0.77867%0.674SS**SBendtrans-68.466.5170.1-69.6178.7164.200110.4H62 Y69H62-M64 PolarHBondContact O-N 3.33Å; M64-Y69 VanDerWaalsContact C-CE1 3.42Å; M64-Y69 HydrophobicContact CB-CE1 4.49Å; M64-Y69 WeakPolarHBondContact O-CE1 3.31Å; M64-Y69 PolarHBondContact O-OH 2.96Å
65H61.4Low66.5Low131 Ų131135.4 Ų135.461%0.60667%0.667SS**  trans-137.711.1-171.2-101.851.4000116N63 K70N63-H65 HydrophobicContact CB-CB 4.35Å; N63-H65 PolarHBondContact O-N 3.15Å; H65-K70 PolarHBondContact CE1-NZ 3.46Å; H65-K70 PolarHBondContact NE2-NZ 3.49Å
66D72.3Confident69Low112 Ų112131.3 Ų131.360%0.59965%0.646SS**  trans-57.6126.5165.6-83.6-51.5000110.9Y68 Y69D66-Y68 PolarHBondContact O-N 3.04Å; D66-Y69 HydrophobicContact CB-CD1 4.2Å; D66-Y69 WeakPolarHBondContact O-CD1 3.37Å; D66-Y69 WeakPolarHBondContact O-CE1 3.47Å; D66-Y69 PolarHBondContact O-N 3.44Å
67P81.4Confident71.5Confident90 Ų90123.2 Ų123.258%0.58462%0.624SS**Hα-helixtrans-63-27.2-178.724.6-33.3000112.3K70 L71P67-K70 PolarHBondContact O-N 3.38Å; P67-L71 PolarHBondContact O-N 3.4Å
68Y84.9Confident73.9Confident186 Ų186120 Ų12073%0.72960%0.6SS**Hα-helixtrans-63.7-40.1-179.4-65.7-77.3000113.9D66 K70 L71 L72D66-Y68 PolarHBondContact O-N 3.04Å; Y68-K70 PolarHBondContact O-N 2.96Å; Y68-L71 PolarHBondContact O-N 3.2Å; Y68-L72 WeakPolarHBondContact O-CB 3.33Å; Y68-L72 PolarHBondContact O-N 3.49Å
69Y84.4Confident76.5Confident85 Ų85119.8 Ų119.833%0.33358%0.583SS.*Hα-helixtrans-69-37.3-17990.4-96.2000111.3M64 D66 L72 M73M64-Y69 VanDerWaalsContact C-CE1 3.42Å; M64-Y69 HydrophobicContact CB-CE1 4.49Å; M64-Y69 WeakPolarHBondContact O-CE1 3.31Å; M64-Y69 PolarHBondContact O-OH 2.96Å; D66-Y69 HydrophobicContact CB-CD1 4.2Å; D66-Y69 WeakPolarHBondContact O-CD1 3.37Å; D66-Y69 WeakPolarHBondContact O-CE1 3.47Å; D66-Y69 PolarHBondContact O-N 3.44Å; Y69-L72 PolarHBondContact O-N 3.45Å; Y69-M73 HydrophobicContact CD2-CE 3.88Å; Y69-M73 HydrophobicContact CD2-SD 4.39Å; Y69-M73 HydrophobicContact CE2-CE 3.72Å; Y69-M73 WeakPolarHBondContact O-CG 3.46Å; Y69-M73 PolarHBondContact O-N 3.18Å
70K88.8Confident79.2Confident79 Ų79115.3 Ų115.334%0.34356%0.564SS.*Hα-helixtrans-61.9-46.4176.3-64.8-178.4-177.9172.50110.6H65 P67 Y68 M73 I74H65-K70 PolarHBondContact CE1-NZ 3.46Å; H65-K70 PolarHBondContact NE2-NZ 3.49Å; P67-K70 PolarHBondContact O-N 3.38Å; Y68-K70 PolarHBondContact O-N 2.96Å; K70-M73 PolarHBondContact O-N 3.38Å; K70-I74 WeakPolarHBondContact O-CD1 2.95Å; K70-I74 VanDerWaalsContact O-CG1 3.31Å; K70-I74 WeakPolarHBondContact O-CG1 3.4Å; K70-I74 PolarHBondContact O-N 3.48Å; K70-I74 VanDerWaalsContact O-N 3.15Å
71L90.9Very high81.8Confident117 Ų117112.2 Ų112.261%0.61355%0.551SS**Hα-helixtrans-63.6-42.1177.6-172.668.5000112.2P67 Y68 I74 W75P67-L71 PolarHBondContact O-N 3.4Å; Y68-L71 PolarHBondContact O-N 3.2Å; L71-I74 PolarHBondContact O-N 2.9Å; L71-W75 PolarHBondContact O-N 3.46Å
72L91.1Very high84.3Confident98 Ų98109.6 Ų109.651%0.51354%0.542SS..Hα-helixtrans-64.7-41.2178.6-177.261.3000112.5Y68 Y69 W75 N76Y68-L72 WeakPolarHBondContact O-CB 3.33Å; Y68-L72 PolarHBondContact O-N 3.49Å; Y69-L72 PolarHBondContact O-N 3.45Å; L72-W75 PolarHBondContact O-N 2.94Å; L72-N76 WeakPolarHBondContact O-CB 3.12Å; L72-N76 PolarHBondContact O-N 3.45Å; L72-N76 PolarHBondContact O-ND2 3.39Å
73M89.9Confident86.4Confident117 Ų117105.1 Ų105.158%0.57653%0.525SS*.Hα-helixtrans-63.7-40.8174.8-70.1-162.3-49.900112Y69 K70 S77Y69-M73 HydrophobicContact CD2-CE 3.88Å; Y69-M73 HydrophobicContact CD2-SD 4.39Å; Y69-M73 HydrophobicContact CE2-CE 3.72Å; Y69-M73 WeakPolarHBondContact O-CG 3.46Å; Y69-M73 PolarHBondContact O-N 3.18Å; K70-M73 PolarHBondContact O-N 3.38Å; M73-S77 WeakPolarHBondContact O-CB 3.34Å; M73-S77 PolarHBondContact O-N 2.96Å
74I93.6Very high88.4Confident102 Ų102104 Ų10452%0.52352%0.518SS..Hα-helixtrans-61.9-46.7175.5-68.1164.3000110.5K70 L71 S77 I78K70-I74 WeakPolarHBondContact O-CD1 2.95Å; K70-I74 VanDerWaalsContact O-CG1 3.31Å; K70-I74 WeakPolarHBondContact O-CG1 3.4Å; K70-I74 PolarHBondContact O-N 3.48Å; K70-I74 VanDerWaalsContact O-N 3.15Å; L71-I74 PolarHBondContact O-N 2.9Å; I74-S77 PolarHBondContact O-N 3.42Å; I74-I78 HydrophobicContact CG2-CD1 3.94Å; I74-I78 WeakPolarHBondContact O-CG1 3.33Å; I74-I78 PolarHBondContact O-N 3.5Å
75W94.2Very high90.4Very high162 Ų162100.5 Ų100.561%0.61450%0.501SS*.Hα-helixtrans-63.7-44.4-179.4-165.671.5000112.6L71 L72 S77 I78 I79L71-W75 PolarHBondContact O-N 3.46Å; L72-W75 PolarHBondContact O-N 2.94Å; W75-S77 VanDerWaalsContact C-N 3.33Å; W75-S77 PolarHBondContact O-N 3.32Å; W75-I78 PolarHBondContact O-N 2.98Å; W75-I79 HydrophobicContact CD2-CD1 3.73Å; W75-I79 HydrophobicContact CE3-CD1 3.51Å; W75-I79 HydrophobicContact CH2-CD1 3.63Å; W75-I79 HydrophobicContact CZ2-CD1 3.82Å; W75-I79 HydrophobicContact CZ3-CD1 3.46Å; W75-I79 VanDerWaalsContact CZ3-CD1 3.46Å; W75-I79 WeakPolarHBondContact O-CG1 3.32Å; W75-I79 PolarHBondContact O-N 3.29Å
76N94.6Very high92.1Very high77 Ų7799.8 Ų99.841%0.41250%0.496SS..Hα-helixtrans-63.9-36.3174.6-70.9-19000112.4L72 I79 T80L72-N76 WeakPolarHBondContact O-CB 3.12Å; L72-N76 PolarHBondContact O-N 3.45Å; L72-N76 PolarHBondContact O-ND2 3.39Å; N76-I79 PolarHBondContact O-N 3.46Å; N76-T80 PolarHBondContact O-N 3.48Å; N76-T80 PolarHBondContact O-OG1 3.36Å; N76-T80 VanDerWaalsContact O-OG1 3.05Å
77S95.4Very high93.3Very high59 Ų5999.9 Ų99.941%0.41350%0.496SS..Hα-helixtrans-66.4-36.2174.5-169.30000112.3M73 I74 W75 T80 I81M73-S77 WeakPolarHBondContact O-CB 3.34Å; M73-S77 PolarHBondContact O-N 2.96Å; I74-S77 PolarHBondContact O-N 3.42Å; W75-S77 VanDerWaalsContact C-N 3.33Å; W75-S77 PolarHBondContact O-N 3.32Å; S77-T80 WeakPolarHBondContact CA-OG1 3.47Å; S77-T80 PolarHBondContact O-OG1 3.29Å; S77-T80 VanDerWaalsContact O-OG1 3.06Å; S77-I81 WeakPolarHBondContact O-CD1 3.37Å; S77-I81 VanDerWaalsContact O-CG1 3.24Å; S77-I81 WeakPolarHBondContact O-CG1 3.24Å; S77-I81 PolarHBondContact O-N 3.18Å
78I96.7Very high94Very high87 Ų8799.5 Ų99.545%0.44649%0.488SS..Hα-helixtrans-66.5-44.5174.5-68.7163.6000110.4I74 W75 T80 I81 L82I74-I78 HydrophobicContact CG2-CD1 3.94Å; I74-I78 WeakPolarHBondContact O-CG1 3.33Å; I74-I78 PolarHBondContact O-N 3.5Å; W75-I78 PolarHBondContact O-N 2.98Å; I78-T80 PolarHBondContact O-N 3.28Å; I78-I81 PolarHBondContact O-N 3.21Å; I78-L82 HydrophobicContact CG2-CD1 3.92Å; I78-L82 HydrophobicContact CG2-CG 4.43Å; I78-L82 WeakPolarHBondContact O-CG 3.34Å; I78-L82 PolarHBondContact O-N 3.21Å
79I96.5Very high94.5Very high60 Ų6095.5 Ų95.531%0.30848%0.478SS..Hα-helixtrans-61.6-45.6178.9-69.5168.9000111.6W75 N76 I81 L82 L83W75-I79 HydrophobicContact CD2-CD1 3.73Å; W75-I79 HydrophobicContact CE3-CD1 3.51Å; W75-I79 HydrophobicContact CH2-CD1 3.63Å; W75-I79 HydrophobicContact CZ2-CD1 3.82Å; W75-I79 HydrophobicContact CZ3-CD1 3.46Å; W75-I79 VanDerWaalsContact CZ3-CD1 3.46Å; W75-I79 WeakPolarHBondContact O-CG1 3.32Å; W75-I79 PolarHBondContact O-N 3.29Å; N76-I79 PolarHBondContact O-N 3.46Å; I79-I81 PolarHBondContact O-N 3.06Å; I79-L82 PolarHBondContact O-N 2.89Å; I79-L83 HydrophobicContact CG2-CD1 4Å; I79-L83 HydrophobicContact CG2-CG 4.45Å; I79-L83 WeakPolarHBondContact O-CG 3.36Å; I79-L83 PolarHBondContact O-N 3.35Å
80T96.8Very high95.1Very high74 Ų7497.1 Ų97.145%0.45449%0.487SS..Hα-helixtrans-64.2-39.9178.847.60000112.3N76 S77 I78 L83 I84N76-T80 PolarHBondContact O-N 3.48Å; N76-T80 PolarHBondContact O-OG1 3.36Å; N76-T80 VanDerWaalsContact O-OG1 3.05Å; S77-T80 WeakPolarHBondContact CA-OG1 3.47Å; S77-T80 PolarHBondContact O-OG1 3.29Å; S77-T80 VanDerWaalsContact O-OG1 3.06Å; I78-T80 PolarHBondContact O-N 3.28Å; T80-L83 PolarHBondContact O-N 2.96Å; T80-I84 WeakPolarHBondContact O-CD1 3.45Å; T80-I84 VanDerWaalsContact O-CG1 3.28Å; T80-I84 WeakPolarHBondContact O-CG1 3.21Å; T80-I84 PolarHBondContact O-N 2.97Å
81I97.2Very high95.4Very high89 Ų8999.3 Ų99.346%0.45649%0.494SS..Hα-helixtrans-61.6-45.4173.6-70.1166.4000111.2S77 I78 I79 L83 I84 I85S77-I81 WeakPolarHBondContact O-CD1 3.37Å; S77-I81 VanDerWaalsContact O-CG1 3.24Å; S77-I81 WeakPolarHBondContact O-CG1 3.24Å; S77-I81 PolarHBondContact O-N 3.18Å; I78-I81 PolarHBondContact O-N 3.21Å; I79-I81 PolarHBondContact O-N 3.06Å; I81-L83 PolarHBondContact O-N 2.7Å; I81-I84 PolarHBondContact O-N 2.75Å; I81-I85 HydrophobicContact CG2-CD1 3.77Å; I81-I85 VanDerWaalsContact O-CG1 3.32Å; I81-I85 WeakPolarHBondContact O-CG1 3.39Å; I81-I85 PolarHBondContact O-N 3Å
82L97.2Very high95.5Very high106 Ų10698.9 Ų98.956%0.55549%0.487SS*.Hα-helixtrans-62.9-39.9178-71.1171.5000112.5I78 I79 I85 F86I78-L82 HydrophobicContact CG2-CD1 3.92Å; I78-L82 HydrophobicContact CG2-CG 4.43Å; I78-L82 WeakPolarHBondContact O-CG 3.34Å; I78-L82 PolarHBondContact O-N 3.21Å; I79-L82 PolarHBondContact O-N 2.89Å; L82-I85 PolarHBondContact O-N 3.39Å; L82-F86 WeakPolarHBondContact O-CB 3.3Å; L82-F86 PolarHBondContact O-N 3.02Å
83L97Very high95.6Very high99 Ų99100 Ų10052%0.51849%0.49SS..Hα-helixtrans-65.5-40.1175.2-71.2172.1000112.2I79 T80 I81 F86 I87I79-L83 HydrophobicContact CG2-CD1 4Å; I79-L83 HydrophobicContact CG2-CG 4.45Å; I79-L83 WeakPolarHBondContact O-CG 3.36Å; I79-L83 PolarHBondContact O-N 3.35Å; T80-L83 PolarHBondContact O-N 2.96Å; I81-L83 PolarHBondContact O-N 2.7Å; L83-F86 PolarHBondContact O-N 3.05Å; L83-I87 VanDerWaalsContact O-CG1 3.3Å; L83-I87 WeakPolarHBondContact O-CG1 3.48Å; L83-I87 PolarHBondContact O-N 3.41Å
84I97.1Very high95.7Very high97 Ų97101.6 Ų101.650%0.49749%0.491SS..Hα-helixtrans-64-45.3175.8-70.1164.1000110.6T80 I81 F86 I87 I88T80-I84 WeakPolarHBondContact O-CD1 3.45Å; T80-I84 VanDerWaalsContact O-CG1 3.28Å; T80-I84 WeakPolarHBondContact O-CG1 3.21Å; T80-I84 PolarHBondContact O-N 2.97Å; I81-I84 PolarHBondContact O-N 2.75Å; I84-F86 VanDerWaalsContact C-N 3.33Å; I84-F86 PolarHBondContact O-N 3.37Å; I84-I87 PolarHBondContact O-N 2.95Å; I84-I88 HydrophobicContact CG2-CD1 3.78Å; I84-I88 VanDerWaalsContact O-CG1 3.3Å; I84-I88 WeakPolarHBondContact O-CG1 3.37Å; I84-I88 PolarHBondContact O-N 2.95Å
85I97.2Very high95.6Very high83 Ų83102.4 Ų102.443%0.42649%0.488SS..Hα-helixtrans-60.3-43.6175.9-68.2165.9000110.7I81 L82 I88 I89I81-I85 HydrophobicContact CG2-CD1 3.77Å; I81-I85 VanDerWaalsContact O-CG1 3.32Å; I81-I85 WeakPolarHBondContact O-CG1 3.39Å; I81-I85 PolarHBondContact O-N 3Å; L82-I85 PolarHBondContact O-N 3.39Å; I85-I88 PolarHBondContact O-N 2.96Å; I85-I89 HydrophobicContact CG2-CD1 3.78Å; I85-I89 HydrophobicContact CG2-CG1 4.46Å; I85-I89 WeakPolarHBondContact O-CG1 3.41Å; I85-I89 PolarHBondContact O-N 2.99Å
86F97.2Very high95.3Very high117 Ų117102.6 Ų102.651%0.51349%0.489SS..Hα-helixtrans-60.2-46.1176.6-175.9-90.5000112.1L82 L83 I84 I88 I89 F90L82-F86 WeakPolarHBondContact O-CB 3.3Å; L82-F86 PolarHBondContact O-N 3.02Å; L83-F86 PolarHBondContact O-N 3.05Å; I84-F86 VanDerWaalsContact C-N 3.33Å; I84-F86 PolarHBondContact O-N 3.37Å; F86-I88 PolarHBondContact O-N 2.98Å; F86-I89 PolarHBondContact O-N 3.26Å; F86-F90 HydrophobicContact CD1-CD2 4.05Å; F86-F90 HydrophobicContact CD1-CE2 4.35Å; F86-F90 HydrophobicContact CD2-CD2 4.35Å; F86-F90 HydrophobicContact CD2-CE2 4.15Å; F86-F90 AromaticContact CE1-CD2 3.74Å; F86-F90 HydrophobicContact CE1-CD2 3.74Å; F86-F90 AromaticContact CE1-CE2 3.71Å; F86-F90 HydrophobicContact CE1-CE2 3.71Å; F86-F90 HydrophobicContact CE1-CG 4.34Å; F86-F90 HydrophobicContact CE1-CZ 4.25Å; F86-F90 HydrophobicContact CE2-CD2 4.08Å; F86-F90 AromaticContact CE2-CE2 3.48Å; F86-F90 HydrophobicContact CE2-CE2 3.48Å; F86-F90 VanDerWaalsContact CE2-CE2 3.48Å; F86-F90 HydrophobicContact CE2-CZ 4.27Å; F86-F90 HydrophobicContact CG-CD2 4.35Å; F86-F90 AromaticContact CZ-CD2 3.77Å; F86-F90 HydrophobicContact CZ-CD2 3.77Å; F86-F90 AromaticContact CZ-CE2 3.23Å; F86-F90 HydrophobicContact CZ-CE2 3.23Å; F86-F90 AromaticContact CZ-CZ 3.71Å; F86-F90 HydrophobicContact CZ-CZ 3.71Å; F86-F90 WeakPolarHBondContact O-CD2 3.47Å; F86-F90 PolarHBondContact O-N 2.97Å
87I96.7Very high95Very high114 Ų114105 Ų10559%0.58550%0.496SS*.Hα-helixtrans-61.4-42.8176.4-69.7164.7000111L83 I84 F90 Y91L83-I87 VanDerWaalsContact O-CG1 3.3Å; L83-I87 WeakPolarHBondContact O-CG1 3.48Å; L83-I87 PolarHBondContact O-N 3.41Å; I84-I87 PolarHBondContact O-N 2.95Å; I87-F90 PolarHBondContact O-N 2.98Å; I87-Y91 VanDerWaalsContact O-CB 3.32Å; I87-Y91 WeakPolarHBondContact O-CB 3.33Å; I87-Y91 PolarHBondContact O-N 3.16Å
88I96.6Very high94.5Very high81 Ų81105.7 Ų105.742%0.41550%0.495SS..Hα-helixtrans-63.4-43.5177.7-70.2167.2000111.2I84 I85 F86 Y91 F92I84-I88 HydrophobicContact CG2-CD1 3.78Å; I84-I88 VanDerWaalsContact O-CG1 3.3Å; I84-I88 WeakPolarHBondContact O-CG1 3.37Å; I84-I88 PolarHBondContact O-N 2.95Å; I85-I88 PolarHBondContact O-N 2.96Å; F86-I88 PolarHBondContact O-N 2.98Å; I88-Y91 PolarHBondContact O-N 3.43Å; I88-F92 HydrophobicContact CG2-CD2 3.71Å; I88-F92 HydrophobicContact CG2-CE2 3.73Å; I88-F92 WeakPolarHBondContact O-CD2 3.31Å; I88-F92 PolarHBondContact O-N 3.37Å
89I96.1Very high93.9Very high102 Ų102105.8 Ų105.852%0.52350%0.497SS..Hα-helixtrans-63-43.5176.5-69.3167.4000111I85 F86 F92 H93I85-I89 HydrophobicContact CG2-CD1 3.78Å; I85-I89 HydrophobicContact CG2-CG1 4.46Å; I85-I89 WeakPolarHBondContact O-CG1 3.41Å; I85-I89 PolarHBondContact O-N 2.99Å; F86-I89 PolarHBondContact O-N 3.26Å; I89-F92 PolarHBondContact O-N 3.24Å; I89-H93 WeakPolarHBondContact O-CB 3.44Å; I89-H93 PolarHBondContact O-N 3.3Å
90F95.7Very high93.2Very high119 Ų119113.1 Ų113.152%0.52252%0.52SS..Hα-helixtrans-66.5-38.4176.9-93.4-105.5000112.6F86 I87 H93 Y94F86-F90 HydrophobicContact CD1-CD2 4.05Å; F86-F90 HydrophobicContact CD1-CE2 4.35Å; F86-F90 HydrophobicContact CD2-CD2 4.35Å; F86-F90 HydrophobicContact CD2-CE2 4.15Å; F86-F90 AromaticContact CE1-CD2 3.74Å; F86-F90 HydrophobicContact CE1-CD2 3.74Å; F86-F90 AromaticContact CE1-CE2 3.71Å; F86-F90 HydrophobicContact CE1-CE2 3.71Å; F86-F90 HydrophobicContact CE1-CG 4.34Å; F86-F90 HydrophobicContact CE1-CZ 4.25Å; F86-F90 HydrophobicContact CE2-CD2 4.08Å; F86-F90 AromaticContact CE2-CE2 3.48Å; F86-F90 HydrophobicContact CE2-CE2 3.48Å; F86-F90 VanDerWaalsContact CE2-CE2 3.48Å; F86-F90 HydrophobicContact CE2-CZ 4.27Å; F86-F90 HydrophobicContact CG-CD2 4.35Å; F86-F90 AromaticContact CZ-CD2 3.77Å; F86-F90 HydrophobicContact CZ-CD2 3.77Å; F86-F90 AromaticContact CZ-CE2 3.23Å; F86-F90 HydrophobicContact CZ-CE2 3.23Å; F86-F90 AromaticContact CZ-CZ 3.71Å; F86-F90 HydrophobicContact CZ-CZ 3.71Å; F86-F90 WeakPolarHBondContact O-CD2 3.47Å; F86-F90 PolarHBondContact O-N 2.97Å; I87-F90 PolarHBondContact O-N 2.98Å; F90-H93 PolarHBondContact O-N 3.04Å; F90-Y94 VanDerWaalsContact O-CB 3.29Å; F90-Y94 WeakPolarHBondContact O-CB 3.31Å; F90-Y94 PolarHBondContact O-N 2.83Å
91Y95.1Very high92.4Very high125 Ų125117.1 Ų117.149%0.4953%0.527SS..Hα-helixtrans-60.1-53.6172.8-179.7-87.6000110.8I87 I88 H93 Y94 Y95I87-Y91 VanDerWaalsContact O-CB 3.32Å; I87-Y91 WeakPolarHBondContact O-CB 3.33Å; I87-Y91 PolarHBondContact O-N 3.16Å; I88-Y91 PolarHBondContact O-N 3.43Å; Y91-H93 PolarHBondContact O-N 3.44Å; Y91-Y94 PolarHBondContact O-N 3.05Å; Y91-Y95 HydrophobicContact CD1-CD2 4.07Å; Y91-Y95 HydrophobicContact CD1-CE2 4.35Å; Y91-Y95 HydrophobicContact CD2-CD2 4.08Å; Y91-Y95 AromaticContact CD2-CE2 3.71Å; Y91-Y95 HydrophobicContact CD2-CE2 3.71Å; Y91-Y95 HydrophobicContact CE1-CD1 4.49Å; Y91-Y95 AromaticContact CE1-CD2 3.9Å; Y91-Y95 HydrophobicContact CE1-CD2 3.9Å; Y91-Y95 HydrophobicContact CE1-CE1 4.5Å; Y91-Y95 AromaticContact CE1-CE2 3.93Å; Y91-Y95 HydrophobicContact CE1-CE2 3.93Å; Y91-Y95 HydrophobicContact CE1-CG 4.21Å; Y91-Y95 AromaticContact CE2-CD2 3.93Å; Y91-Y95 HydrophobicContact CE2-CD2 3.93Å; Y91-Y95 AromaticContact CE2-CE2 3.23Å; Y91-Y95 HydrophobicContact CE2-CE2 3.23Å; Y91-Y95 AromaticContact CE2-CZ 3.64Å; Y91-Y95 HydrophobicContact CG-CD2 4.15Å; Y91-Y95 HydrophobicContact CG-CE2 4.24Å; Y91-Y95 AromaticContact CZ-CD2 3.83Å; Y91-Y95 AromaticContact CZ-CE2 3.35Å; Y91-Y95 AromaticContact CZ-CZ 3.44Å; Y91-Y95 VanDerWaalsContact CZ-CZ 3.44Å; Y91-Y95 VanDerWaalsContact O-CD2 3.31Å; Y91-Y95 WeakPolarHBondContact O-CD2 3.33Å; Y91-Y95 PolarHBondContact O-N 3.28Å; Y91-Y95 VanDerWaalsContact OH-CZ 3.23Å; Y91-Y95 PolarHBondContact OH-OH 3.41Å
92F94.5Very high91.4Very high108 Ų108116.3 Ų116.347%0.47452%0.523SS..Hα-helixtrans-59.4-45.5177.1-85-66.1000112.3I88 I89 Y94 Y95 Y96I88-F92 HydrophobicContact CG2-CD2 3.71Å; I88-F92 HydrophobicContact CG2-CE2 3.73Å; I88-F92 WeakPolarHBondContact O-CD2 3.31Å; I88-F92 PolarHBondContact O-N 3.37Å; I89-F92 PolarHBondContact O-N 3.24Å; F92-Y94 VanDerWaalsContact C-N 3.33Å; F92-Y94 PolarHBondContact O-N 2.82Å; F92-Y95 PolarHBondContact O-N 3.25Å; F92-Y96 HydrophobicContact CB-CD2 4.24Å; F92-Y96 HydrophobicContact CB-CE2 4.19Å; F92-Y96 AromaticContact CD1-CE2 3.88Å; F92-Y96 HydrophobicContact CD1-CE2 3.88Å; F92-Y96 HydrophobicContact CG-CE2 4.42Å; F92-Y96 WeakPolarHBondContact O-CB 3.3Å; F92-Y96 WeakPolarHBondContact O-CD2 3.49Å; F92-Y96 PolarHBondContact O-N 2.92Å
93H93Very high90.4Very high123 Ų123116 Ų11657%0.56952%0.518SS*.Hα-helixtrans-62.6-38.8178.3179.2-120.7000112.5I89 F90 Y91 K97I89-H93 WeakPolarHBondContact O-CB 3.44Å; I89-H93 PolarHBondContact O-N 3.3Å; F90-H93 PolarHBondContact O-N 3.04Å; Y91-H93 PolarHBondContact O-N 3.44Å; H93-K97 WeakPolarHBondContact O-CB 3.28Å; H93-K97 PolarHBondContact O-N 3.24Å
94Y92.4Very high89Confident150 Ų150118.7 Ų118.759%0.58852%0.522SS*.Hα-helixtrans-63.9-47.5173.1-178.7-92.2000111.7F90 Y91 F92 K97 L98F90-Y94 VanDerWaalsContact O-CB 3.29Å; F90-Y94 WeakPolarHBondContact O-CB 3.31Å; F90-Y94 PolarHBondContact O-N 2.83Å; Y91-Y94 PolarHBondContact O-N 3.05Å; F92-Y94 VanDerWaalsContact C-N 3.33Å; F92-Y94 PolarHBondContact O-N 2.82Å; Y94-K97 PolarHBondContact O-N 3.35Å; Y94-L98 HydrophobicContact CE1-CD2 4.17Å; Y94-L98 WeakPolarHBondContact O-CB 3.32Å; Y94-L98 PolarHBondContact O-N 2.96Å
95Y90.4Very high87.8Confident118 Ų118119 Ų11946%0.46352%0.523SS..Hα-helixtrans-65.4-44.6-179.8-88.4-111.2000112.3Y91 F92 K97 L98 N99Y91-Y95 HydrophobicContact CD1-CD2 4.07Å; Y91-Y95 HydrophobicContact CD1-CE2 4.35Å; Y91-Y95 HydrophobicContact CD2-CD2 4.08Å; Y91-Y95 AromaticContact CD2-CE2 3.71Å; Y91-Y95 HydrophobicContact CD2-CE2 3.71Å; Y91-Y95 HydrophobicContact CE1-CD1 4.49Å; Y91-Y95 AromaticContact CE1-CD2 3.9Å; Y91-Y95 HydrophobicContact CE1-CD2 3.9Å; Y91-Y95 HydrophobicContact CE1-CE1 4.5Å; Y91-Y95 AromaticContact CE1-CE2 3.93Å; Y91-Y95 HydrophobicContact CE1-CE2 3.93Å; Y91-Y95 HydrophobicContact CE1-CG 4.21Å; Y91-Y95 AromaticContact CE2-CD2 3.93Å; Y91-Y95 HydrophobicContact CE2-CD2 3.93Å; Y91-Y95 AromaticContact CE2-CE2 3.23Å; Y91-Y95 HydrophobicContact CE2-CE2 3.23Å; Y91-Y95 AromaticContact CE2-CZ 3.64Å; Y91-Y95 HydrophobicContact CG-CD2 4.15Å; Y91-Y95 HydrophobicContact CG-CE2 4.24Å; Y91-Y95 AromaticContact CZ-CD2 3.83Å; Y91-Y95 AromaticContact CZ-CE2 3.35Å; Y91-Y95 AromaticContact CZ-CZ 3.44Å; Y91-Y95 VanDerWaalsContact CZ-CZ 3.44Å; Y91-Y95 VanDerWaalsContact O-CD2 3.31Å; Y91-Y95 WeakPolarHBondContact O-CD2 3.33Å; Y91-Y95 PolarHBondContact O-N 3.28Å; Y91-Y95 VanDerWaalsContact OH-CZ 3.23Å; Y91-Y95 PolarHBondContact OH-OH 3.41Å; F92-Y95 PolarHBondContact O-N 3.25Å; Y95-K97 VanDerWaalsContact C-N 3.33Å; Y95-K97 PolarHBondContact O-N 3.47Å; Y95-L98 PolarHBondContact O-N 2.89Å; Y95-N99 VanDerWaalsContact O-CB 3.31Å; Y95-N99 WeakPolarHBondContact O-CB 3.4Å; Y95-N99 PolarHBondContact O-N 3.44Å
96Y87.9Confident86.6Confident166 Ų166119.3 Ų119.365%0.65152%0.523SS*.Hα-helixtrans-62.1-39.4173.8-77-61.3000112.1F92 R100F92-Y96 HydrophobicContact CB-CD2 4.24Å; F92-Y96 HydrophobicContact CB-CE2 4.19Å; F92-Y96 AromaticContact CD1-CE2 3.88Å; F92-Y96 HydrophobicContact CD1-CE2 3.88Å; F92-Y96 HydrophobicContact CG-CE2 4.42Å; F92-Y96 WeakPolarHBondContact O-CB 3.3Å; F92-Y96 WeakPolarHBondContact O-CD2 3.49Å; F92-Y96 PolarHBondContact O-N 2.92Å; Y96-R100 WeakPolarHBondContact O-CB 3.29Å; Y96-R100 PolarHBondContact O-N 2.9Å
97K88.5Confident85.3Confident127 Ų127119.4 Ų119.455%0.55253%0.525SS*.Hα-helixtrans-68.9-32.6177.2-172.7174.4-177.9178.30112.9H93 Y94 Y95 R101H93-K97 WeakPolarHBondContact O-CB 3.28Å; H93-K97 PolarHBondContact O-N 3.24Å; Y94-K97 PolarHBondContact O-N 3.35Å; Y95-K97 VanDerWaalsContact C-N 3.33Å; Y95-K97 PolarHBondContact O-N 3.47Å; K97-R101 WeakPolarHBondContact O-CG 3.24Å
98L85.1Confident84.1Confident74 Ų74118.2 Ų118.239%0.38752%0.517SS..Hα-helixtrans-75.9-47.3174.7-175.461.2000111.3Y94 Y95 R100 R101 I102Y94-L98 HydrophobicContact CE1-CD2 4.17Å; Y94-L98 WeakPolarHBondContact O-CB 3.32Å; Y94-L98 PolarHBondContact O-N 2.96Å; Y95-L98 PolarHBondContact O-N 2.89Å; L98-R100 VanDerWaalsContact C-N 3.33Å; L98-R100 PolarHBondContact O-N 2.84Å; L98-R101 WeakPolarHBondContact O-CA 3.49Å; L98-R101 WeakPolarHBondContact O-CB 3.17Å; L98-R101 PolarHBondContact O-N 3.31Å; L98-I102 HydrophobicContact CD1-CD1 4.46Å; L98-I102 HydrophobicContact CG-CD1 4.01Å; L98-I102 PolarHBondContact O-N 2.65Å
99N84.3Confident82.7Confident90 Ų90119.7 Ų119.748%0.48153%0.525SS..Hα-helixtrans-60.9-40.7-179.9-162.161000112Y95 R101 I102 Q103Y95-N99 VanDerWaalsContact O-CB 3.31Å; Y95-N99 WeakPolarHBondContact O-CB 3.4Å; Y95-N99 PolarHBondContact O-N 3.44Å; N99-R101 PolarHBondContact O-N 2.96Å; N99-I102 PolarHBondContact O-N 3.3Å; N99-I102 VanDerWaalsContact O-N 3.16Å; N99-Q103 WeakPolarHBondContact O-CG 3.42Å; N99-Q103 PolarHBondContact O-N 2.88Å
100R81.3Confident81.4Confident214 Ų214119.4 Ų119.481%0.80852%0.524SS*.Hα-helixtrans-62.7-24.4174.2-172174.9-179.9-165-0.5113.5Y96 L98Y96-R100 WeakPolarHBondContact O-CB 3.29Å; Y96-R100 PolarHBondContact O-N 2.9Å; L98-R100 VanDerWaalsContact C-N 3.33Å; L98-R100 PolarHBondContact O-N 2.84Å
101R79.5Confident79.9Confident158 Ų158118.7 Ų118.760%0.59653%0.526SS*.Hα-helixtrans-81.9-38.4172.7-73.4175.4162.7-152.2-9.5112.1K97 L98 N99 I105K97-R101 WeakPolarHBondContact O-CG 3.24Å; L98-R101 WeakPolarHBondContact O-CA 3.49Å; L98-R101 WeakPolarHBondContact O-CB 3.17Å; L98-R101 PolarHBondContact O-N 3.31Å; N99-R101 PolarHBondContact O-N 2.96Å; R101-I105 WeakPolarHBondContact O-CG1 3.45Å; R101-I105 PolarHBondContact O-N 2.73Å
102I77.6Confident78.4Confident71 Ų71116.7 Ų116.736%0.36452%0.523SS..Hα-helixtrans-64.3-48.7178.7-67.3168.6000110.3L98 N99 W104 I105 E106L98-I102 HydrophobicContact CD1-CD1 4.46Å; L98-I102 HydrophobicContact CG-CD1 4.01Å; L98-I102 PolarHBondContact O-N 2.65Å; N99-I102 PolarHBondContact O-N 3.3Å; N99-I102 VanDerWaalsContact O-N 3.16Å; I102-W104 VanDerWaalsContact C-N 3.29Å; I102-W104 PolarHBondContact O-N 2.68Å; I102-I105 CarbonylContact O-C 3.6Å; I102-I105 WeakPolarHBondContact O-CA 3.44Å; I102-I105 WeakPolarHBondContact O-CB 3.46Å; I102-I105 PolarHBondContact O-N 3.05Å; I102-E106 HydrophobicContact CG2-CG 4.24Å; I102-E106 WeakPolarHBondContact O-CG 3.23Å; I102-E106 PolarHBondContact O-N 3.36Å
103Q74.4Confident76.7Confident99 Ų99117.1 Ų117.146%0.46353%0.53SS..Hα-helixtrans-58.4-38.2-179.9-69.9-87.9-94.700113N99 I105 E106 E107N99-Q103 WeakPolarHBondContact O-CG 3.42Å; N99-Q103 PolarHBondContact O-N 2.88Å; Q103-I105 VanDerWaalsContact C-N 3.33Å; Q103-I105 PolarHBondContact O-N 2.95Å; Q103-E106 PolarHBondContact NE2-OE2 3.32Å; Q103-E106 PolarHBondContact O-N 3.45Å; Q103-E107 WeakPolarHBondContact O-CG 3.42Å; Q103-E107 PolarHBondContact O-N 2.78Å
104W68.8Low75.1Confident157 Ų157118.7 Ų118.760%0.59554%0.537SS*.Hα-helixtrans-66.8-33.3175.2-173.869.9000112.9I102 E108I102-W104 VanDerWaalsContact C-N 3.29Å; I102-W104 PolarHBondContact O-N 2.68Å; W104-E108 WeakPolarHBondContact O-CB 3.45Å; W104-E108 PolarHBondContact O-N 2.93Å; W104-E108 VanDerWaalsContact O-N 3.14Å
105I71.4Confident73.1Confident103 Ų103121.4 Ų121.453%0.52855%0.548SS..Hα-helixtrans-72.4-35.7173.9-64.9165.3000110.6R101 I102 Q103 L109R101-I105 WeakPolarHBondContact O-CG1 3.45Å; R101-I105 PolarHBondContact O-N 2.73Å; I102-I105 CarbonylContact O-C 3.6Å; I102-I105 WeakPolarHBondContact O-CA 3.44Å; I102-I105 WeakPolarHBondContact O-CB 3.46Å; I102-I105 PolarHBondContact O-N 3.05Å; Q103-I105 VanDerWaalsContact C-N 3.33Å; Q103-I105 PolarHBondContact O-N 2.95Å; I105-L109 VanDerWaalsContact O-CB 3.23Å; I105-L109 WeakPolarHBondContact O-CB 3.24Å; I105-L109 PolarHBondContact O-N 3.14Å
106E72.2Confident71Confident89 Ų89121 Ų12142%0.41655%0.554SS.*Hα-helixtrans-69.2-45.3177-69.4173.6140.800111.9I102 Q103 L109 I110I102-E106 HydrophobicContact CG2-CG 4.24Å; I102-E106 WeakPolarHBondContact O-CG 3.23Å; I102-E106 PolarHBondContact O-N 3.36Å; Q103-E106 PolarHBondContact NE2-OE2 3.32Å; Q103-E106 PolarHBondContact O-N 3.45Å; E106-L109 PolarHBondContact O-N 2.91Å; E106-I110 WeakPolarHBondContact O-CB 3.4Å; E106-I110 WeakPolarHBondContact O-CD1 3.35Å; E106-I110 VanDerWaalsContact O-CG1 3.24Å; E106-I110 WeakPolarHBondContact O-CG1 3.43Å; E106-I110 PolarHBondContact O-N 2.92Å
107E70.3Confident69.3Low120 Ų120118.8 Ų118.856%0.56155%0.553SS**Hα-helixtrans-58.5-48.2173-74177.9166.300111.7Q103 L109 I110 N111Q103-E107 WeakPolarHBondContact O-CG 3.42Å; Q103-E107 PolarHBondContact O-N 2.78Å; E107-L109 VanDerWaalsContact C-N 3.34Å; E107-L109 PolarHBondContact O-N 2.79Å; E107-I110 PolarHBondContact O-N 2.77Å; E107-N111 WeakPolarHBondContact O-CB 3.47Å; E107-N111 VanDerWaalsContact O-CG 3.27Å; E107-N111 PolarHBondContact O-N 3.46Å; E107-N111 PolarHBondContact O-ND2 3.31Å
108E71.1Confident67.5Low89 Ų89117.7 Ų117.742%0.41656%0.559SS.*Hα-helixtrans-63.5-39.3178.2-172.162.4-155.100111.6W104 N112W104-E108 WeakPolarHBondContact O-CB 3.45Å; W104-E108 PolarHBondContact O-N 2.93Å; W104-E108 VanDerWaalsContact O-N 3.14Å; E108-N112 WeakPolarHBondContact O-CB 3.38Å; E108-N112 PolarHBondContact O-N 3.09Å; E108-N112 VanDerWaalsContact O-N 3.09Å; E108-N112 PolarHBondContact O-ND2 2.96Å; E108-N112 PolarHBondContact OE1-ND2 3.01Å
109L67.8Low65.9Low111 Ų111120.3 Ų120.358%0.58157%0.574SS**Hα-helixtrans-68.1-39.8177.7-167.271.6000112.1I105 E106 E107 L113I105-L109 VanDerWaalsContact O-CB 3.23Å; I105-L109 WeakPolarHBondContact O-CB 3.24Å; I105-L109 PolarHBondContact O-N 3.14Å; E106-L109 PolarHBondContact O-N 2.91Å; E107-L109 VanDerWaalsContact C-N 3.34Å; E107-L109 PolarHBondContact O-N 2.79Å; L109-L113 HydrophobicContact CG-CD1 4.21Å; L109-L113 WeakPolarHBondContact O-CB 3.29Å; L109-L113 WeakPolarHBondContact O-CD1 3.21Å; L109-L113 VanDerWaalsContact O-CG 3.25Å; L109-L113 WeakPolarHBondContact O-CG 3.25Å; L109-L113 PolarHBondContact O-N 3.27Å
110I67.9Low64.2Low97 Ų97124.6 Ų124.650%0.49759%0.59SS.*Hα-helixtrans-65.6-49.1176.8-70.2163.9000110.4E106 E107 N112 L113 E114E106-I110 WeakPolarHBondContact O-CB 3.4Å; E106-I110 WeakPolarHBondContact O-CD1 3.35Å; E106-I110 VanDerWaalsContact O-CG1 3.24Å; E106-I110 WeakPolarHBondContact O-CG1 3.43Å; E106-I110 PolarHBondContact O-N 2.92Å; E107-I110 PolarHBondContact O-N 2.77Å; I110-N112 VanDerWaalsContact C-N 3.28Å; I110-N112 PolarHBondContact O-N 3.25Å; I110-L113 WeakPolarHBondContact O-CA 3.39Å; I110-L113 WeakPolarHBondContact O-CB 2.99Å; I110-L113 PolarHBondContact O-N 2.91Å; I110-E114 PolarHBondContact O-N 2.96Å
111N64.4Low62.8Low104 Ų104118.1 Ų118.156%0.55658%0.576SS**Hα-helixtrans-59.8-37.2178.8-70.8-36.7000112.5E107 L113E107-N111 WeakPolarHBondContact O-CB 3.47Å; E107-N111 VanDerWaalsContact O-CG 3.27Å; E107-N111 PolarHBondContact O-N 3.46Å; E107-N111 PolarHBondContact O-ND2 3.31Å; N111-L113 VanDerWaalsContact C-N 3.34Å
112N63Low61.2Low82 Ų82118.1 Ų118.144%0.43959%0.588SS.*Hα-helixtrans-77.6-14.7175.1-76.7-78.3000113.9E108 I110 N116E108-N112 WeakPolarHBondContact O-CB 3.38Å; E108-N112 PolarHBondContact O-N 3.09Å; E108-N112 VanDerWaalsContact O-N 3.09Å; E108-N112 PolarHBondContact O-ND2 2.96Å; E108-N112 PolarHBondContact OE1-ND2 3.01Å; I110-N112 VanDerWaalsContact C-N 3.28Å; I110-N112 PolarHBondContact O-N 3.25Å; N112-N116 PolarHBondContact O-ND2 3.01Å
113L59.3Low59.8Low118 Ų118122.4 Ų122.462%0.61861%0.606SS**Hα-helixtrans-84.4-47.1171-77164.3000111.2L109 I110 N111 Y115 N116L109-L113 HydrophobicContact CG-CD1 4.21Å; L109-L113 WeakPolarHBondContact O-CB 3.29Å; L109-L113 WeakPolarHBondContact O-CD1 3.21Å; L109-L113 VanDerWaalsContact O-CG 3.25Å; L109-L113 WeakPolarHBondContact O-CG 3.25Å; L109-L113 PolarHBondContact O-N 3.27Å; I110-L113 WeakPolarHBondContact O-CA 3.39Å; I110-L113 WeakPolarHBondContact O-CB 2.99Å; I110-L113 PolarHBondContact O-N 2.91Å; N111-L113 VanDerWaalsContact C-N 3.34Å; L113-Y115 VanDerWaalsContact C-N 3.29Å; L113-Y115 PolarHBondContact O-N 3.07Å; L113-N116 PolarHBondContact O-N 2.87Å
114E59.1Low58.8Low155 Ų155124.5 Ų124.572%0.72462%0.62SS**Hα-helixtrans-58.8-36.3-176.5-154.887-173.800112.6I110 N116I110-E114 PolarHBondContact O-N 2.96Å; E114-N116 VanDerWaalsContact C-N 3.33Å; E114-N116 PolarHBondContact O-N 3.28Å
115Y51.5Low58.4Low207 Ų207122.5 Ų122.581%0.81263%0.628SS**THydrogen-bonded Turntrans-79.5-9.5179.2-166.8-97.1000114.3L113L113-Y115 VanDerWaalsContact C-N 3.29Å; L113-Y115 PolarHBondContact O-N 3.07Å
116N46.1Very low57.9Low111 Ų111123.2 Ų123.259%0.59464%0.639SS**THydrogen-bonded Turntrans-106.825.6-174-81.7-72.3000113.8N112 L113 E114 P118N112-N116 PolarHBondContact O-ND2 3.01Å; L113-N116 PolarHBondContact O-N 2.87Å; E114-N116 VanDerWaalsContact C-N 3.33Å; E114-N116 PolarHBondContact O-N 3.28Å; N116-P118 WeakPolarHBondContact O-CD 3.5Å; N116-P118 WeakPolarHBondContact O-CG 3.48Å
117D51Low57.7Low118 Ų118124.7 Ų124.763%0.63166%0.656SS**  trans-64.8114.1166.8-171.6-8.4000110.6D119D117-D119 WeakPolarHBondContact OD1-CB 3.49Å; D117-D119 PolarHBondContact OD1-N 3.4Å
118P50.4Low56.7Low104 Ų104124.3 Ų124.368%0.67566%0.664SS**  trans-92.4-2.9178.33.519.2000113N116 H120N116-P118 WeakPolarHBondContact O-CD 3.5Å; N116-P118 WeakPolarHBondContact O-CG 3.48Å; P118-H120 PolarHBondContact O-N 3.38Å
119D52.2Low55.6Low130 Ų130127 Ų12770%0.69568%0.682SS**  trans-84.137.4-169.8-68.6-16.2000112.8D117 P121D117-D119 WeakPolarHBondContact OD1-CB 3.49Å; D117-D119 PolarHBondContact OD1-N 3.4Å; D119-P121 VanDerWaalsContact C-CD 3.43Å; D119-P121 WeakPolarHBondContact O-CD 3.5Å
120H48.2Very low54.6Low179 Ų179130.3 Ų130.383%0.82969%0.694SS**  trans-105.187.1146.7-106.733.9000109.9P118P118-H120 PolarHBondContact O-N 3.38Å
121P52Low53.7Low78 Ų78132.8 Ų132.851%0.50670%0.703SS.*  trans-59.8139162.4-13.127000109D119 H123D119-P121 VanDerWaalsContact C-CD 3.43Å; D119-P121 WeakPolarHBondContact O-CD 3.5Å; P121-H123 PolarHBondContact O-N 3.32Å
122N45.7Very low52.9Low158 Ų158135 Ų13585%0.84571%0.71SS**  trans-65.391.7158.7-72.1-49000107.5D124N122-D124 PolarHBondContact O-N 2.95Å
123H49.2Very low52Low162 Ų162137.1 Ų137.175%0.7572%0.721SS**  trans-73.591.4173.3-91.7-78.3000109.2P121P121-H123 PolarHBondContact O-N 3.32Å
124D52.1Low51.1Low142 Ų142137.3 Ų137.376%0.75972%0.723SS**PPolyproline II helixtrans-53.4134.5161.8-71.6-46.6000109.2N122N122-D124 PolarHBondContact O-N 2.95Å
125P61.2Low50.2Low115 Ų115135.7 Ų135.775%0.74772%0.719SS**PPolyproline II helixtrans-68.4132.9-175.426.8-34.1000111.1
126P61.2Low49.8Very low119 Ų119132.3 Ų132.377%0.77372%0.715SS**PPolyproline II helixtrans-71.1138.9-179.628.7-34.4000111.5
127P66.9Low49.7Very low119 Ų119131.5 Ų131.577%0.77372%0.718SS**PPolyproline II helixtrans-69.3151.3166.630.8-34000110.6
128P51Low49.1Very low113 Ų113134.9 Ų134.973%0.73472%0.723SS**PPolyproline II helixtrans-79144.7-164.130.1-36.3000115.4
129D46.8Very low48.8Very low146 Ų146134.9 Ų134.978%0.78172%0.718SS**  trans44.8115.4145.8-56.1-30.2000121.1
130H48.3Very low48.2Very low179 Ų179137 Ų13783%0.82972%0.716SS**  trans-145.597.6130.6-97.8-28.3000113.6
131H48.2Very low48Very low149 Ų149134.4 Ų134.469%0.6971%0.708SS**  trans57.8134.4146.9-69.1-60.6000123.7
132H47.3Very low47.4Very low151 Ų151138.5 Ų138.570%0.69972%0.72SS**  trans84.3109.8154-64.1-26.5000116.7
133N43.5Very low46.9Very low126 Ų126141.4 Ų141.467%0.67472%0.719SS**  68.9120.469.3-68.131.8000109.5
134N40.9Very low46.1Very low123 Ų123140.5 Ų140.566%0.65872%0.72SS**  cis-164.7155.225.9-108.63.7000110.4
135N40.3Very low45.1Very low120 Ų120140.5 Ų140.564%0.64272%0.719SS**  trans63.8149.1147.6-64.745.5000118.4
136D44Very low43.5Very low137 Ų137141.8 Ų141.873%0.73372%0.719SS**  cis-165.6167.5-10.9-89-27.2000106
137S43.2Very low42.1Very low94 Ų94142 Ų14266%0.65772%0.718SS**  cis-178.6149.9-28.6178.80000105.9
138Y38.3Very low40.4Very low189 Ų189142.2 Ų142.274%0.74172%0.717SS**  trans122.998.9-165.6-33.2-127.2000119.1
139D44Very low39.8Very low104 Ų104142.7 Ų142.756%0.55672%0.718SS**  cis112.7138.53.6-168.435.6000116.3
140R40.9Very low39Very low174 Ų174142.4 Ų142.466%0.65772%0.716SS**  trans84.5126170.1-50.7-165.2-168.2158.617.8118.7
141D42.3Very low38.3Very low125 Ų125138.2 Ų138.267%0.66871%0.707SS**  cis84.213947.2-83.1-20.6000113.6
142Q39.9Very low37.5Very low163 Ų163138.4 Ų138.476%0.76271%0.713SS**  cis-122.9170.5-12.1-5789.525.500109.4
143R35.7Very low36.9Very low219 Ų219137.2 Ų137.283%0.82672%0.716SS**  cis88.2116.918.6-118.9-170.5179.2-154.7-1.7117.8
144L32.7Very low36.4Very low144 Ų144138.1 Ų138.175%0.75472%0.72SS**  trans68.8150.6172.4-79.565.7000115.8
145L31.4Very low36Very low142 Ų142139.4 Ų139.474%0.74373%0.726SS**  cis-149.1176.14.5-126.1172.4000111.2
146L27.7Very low35.5Very low142 Ų142140.5 Ų140.574%0.74373%0.731SS**  trans-63.8151.8178.6-73.570.7000113.4
147T31.6Very low35.3Very low123 Ų123140.1 Ų140.176%0.75573%0.725SS**  177.1132.3103.939.70000114.8
148T31.3Very low34.8Very low123 Ų123145.1 Ų145.176%0.75573%0.73SS**  trans51.6128.5142.758.90000124
149V36.8Very low34.7Very low124 Ų124144.2 Ų144.275%0.75273%0.732SS**  trans87.7117.5131.8168.50000120.5
150D30.7Very low34.3Very low140 Ų140144 Ų14475%0.74973%0.731SS**  trans55.6117.8145.4-62.5-11.7000124.5
151S33.7Very low34Very low91 Ų91144 Ų14464%0.63674%0.735SS**  78.2115.5122.5-66.90000123.1
152N31.7Very low33.6Very low152 Ų152146.9 Ų146.981%0.81375%0.745SS**  trans80.7165.8140-57.7-31.8000120.2
153V34.5Very low33.2Very low127 Ų127149.1 Ų149.177%0.7775%0.752SS**  trans96.3112.6161.8-175.50000118
154L33.7Very low33.2Very low144 Ų144145.5 Ų145.575%0.75475%0.749SS**  trans37.1128.2151-8053.2000120.1
155I30.8Very low33.4Very low151 Ų151145 Ų14577%0.77475%0.747SS**  cis101.5120.445.7-78168.5000113.6
156D30.7Very low33.6Very low142 Ų142146.6 Ų146.676%0.75975%0.75SS**  trans89.6159.6153.2-120.8-21.9000124.7
157E39.4Very low34Very low130 Ų130146.7 Ų146.761%0.60775%0.751SS**  trans68.890.1162-66.6-78.465.200120
158R32.7Very low34Very low199 Ų199150.6 Ų150.675%0.75175%0.753SS**  trans-14.1128.7143.7-58.6159.6-73.2-158-3.2115.5
159H36.1Very low34Very low170 Ų170150.6 Ų150.679%0.78776%0.755SS**  -161.6156.4106.2-116.5-85.8000113.4
160D35.9Very low33.9Very low100 Ų100148.1 Ų148.154%0.53576%0.755SS.*  trans45.8119.2165.6-82.1-104.4000123.3
161K35.4Very low34.1Very low172 Ų172151.5 Ų151.575%0.74876%0.763SS**SBendtrans67.6107137.7-67.4172-179.8121.30119.7
162H33.7Very low34Very low187 Ų187157 Ų15787%0.86678%0.776SS**  trans54.478.9153.1-69.8-82.4000116.2
163K30.5Very low33.9Very low210 Ų210154.6 Ų154.691%0.91377%0.771SS**  trans-72.4128.1156.6-78.6-169.5170.9-169.40110.7
164D36.1Very low33.8Very low143 Ų143157.2 Ų157.277%0.76578%0.779SS**  trans-76.5167.1148.8-62.6-57.1000110.4
165D37.1Very low33.9Very low134 Ų134157.1 Ų157.172%0.71778%0.779SS**  trans43.394.2161.8-62.8-23000119.8
166H34.9Very low33.8Very low174 Ų174158.6 Ų158.681%0.80678%0.78SS**  165.915697.1-82.3-53.4000114.2
167L37.2Very low33.8Very low145 Ų145158.3 Ų158.376%0.75978%0.779SS**  trans79.3121.5156.1-115.371.3000122.1
168Y30.7Very low33.5Very low204 Ų204163.6 Ų163.680%0.879%0.793SS**  trans61.2139.5166.7-71.8-71.5000119.2
169P32.3Very low33.6Very low123 Ų123164.3 Ų164.380%0.79980%0.795SS**  -126.277.8-117.426.5-3.9000111.8
170G34.9Very low33.4Very low73 Ų73165.7 Ų165.775%0.75380%0.799SS**  trans-94.297.9-17300000115.3
171K33.3Very low33.4Very low210 Ų210165.8 Ų165.891%0.91381%0.808SS**  trans36.395.2152.8-60.7175.9-176.2173.10117.3
172K32.5Very low33.3Very low208 Ų208165.3 Ų165.390%0.90481%0.813SS**  trans-114.5141.2148-86.7-175.7178.6173.40111L174K172-L174 PolarHBondContact O-N 3.01Å
173S29.5Very low33.4Very low101 Ų101165.7 Ų165.771%0.70681%0.813SS**  trans-77.6114.8-172.850.10000112.2
174L33Very low33.6Very low181 Ų181163.3 Ų163.395%0.94881%0.809SS**  trans-94.390.8156.1-70.4-178.2000109.4K172K172-L174 PolarHBondContact O-N 3.01Å
175L35.6Very low33.4Very low142 Ų142165.9 Ų165.974%0.74381%0.808SS**  trans-68.2130.4168.2-78.3164.2000109.9
176F29.2Very low33.5Very low183 Ų183165 Ų16580%0.80381%0.81SS**  trans40.994.6154.1-82-100.7000118.2
177N30.2Very low33.8Very low136 Ų136161.7 Ų161.773%0.72781%0.806SS**  -145.185.3126.9-125.1-51.5000112.5R179N177-R179 PolarHBondContact O-N 3.46Å
178R32.2Very low34.3Very low241 Ų241159 Ų15991%0.90980%0.796SS**  trans-73.970.9176.6-174.2-165-93.4-178.6-7.4110.5
179R34.8Very low35Very low213 Ų213153.6 Ų153.680%0.80478%0.781SS**  trans-82.2136.4168-68.6-166.8-178.1-170.23110.1N177 S181N177-R179 PolarHBondContact O-N 3.46Å; R179-S181 PolarHBondContact O-N 2.99Å
180K33.5Very low36.1Very low199 Ų199153.2 Ų153.287%0.86577%0.771SS**  trans-76.1117.4-178.3-60.5171.4-178.11750109.1
181S35.9Very low37Very low103 Ų103153.6 Ų153.672%0.7276%0.755SS**  trans-113.1123.8160.2-173.40000108.1R179 K183R179-S181 PolarHBondContact O-N 2.99Å; S181-K183 PolarHBondContact O-N 3.41Å; S181-K183 VanDerWaalsContact O-N 3.14Å
182N32Very low38.2Very low161 Ų161148.8 Ų148.886%0.86174%0.738SS**  trans-85.679.9-178.8-69.9-11.3000109.5
183K35.3Very low39.5Very low196 Ų196141.5 Ų141.585%0.85271%0.706SS**  trans-126.1147.6164.1-83.9-174.9174.1-179.30110.6S181S181-K183 PolarHBondContact O-N 3.41Å; S181-K183 VanDerWaalsContact O-N 3.14Å
184L36.4Very low40.9Very low159 Ų159141.6 Ų141.683%0.83269%0.691SS**PPolyproline II helixtrans-50.5145.7-174.8-145.665.4000111.6
185W31Very low42.4Very low197 Ų197136.9 Ų136.975%0.74667%0.667SS**PPolyproline II helixtrans-61.2140.2160.5-68.387.6000108S187W185-S187 PolarHBondContact O-N 3.44Å
186P39.8Very low43.7Very low116 Ų116134.3 Ų134.375%0.75365%0.653SS**PPolyproline II helixtrans-58.9127.4169.926.2-33.1000108.3V188P186-V188 PolarHBondContact O-N 3.1Å
187S40.2Very low45.2Very low105 Ų105126.2 Ų126.273%0.73462%0.619SS**PPolyproline II helixtrans-55.9131.7-175.5-58.20000110.5W185 N189W185-S187 PolarHBondContact O-N 3.44Å; S187-N189 PolarHBondContact O-N 3.48Å
188V47.5Very low46.8Very low88 Ų88127.7 Ų127.753%0.53361%0.614SS.*  trans-55.7110.4172.1176.30000107.6P186 I190 M192 F193P186-V188 PolarHBondContact O-N 3.1Å; V188-I190 PolarHBondContact O-N 3.28Å; V188-M192 HydrophobicContact CG1-CE 3.85Å; V188-F193 HydrophobicContact CG1-CB 4.27Å
189N46.3Very low48.2Very low91 Ų91119.4 Ų119.449%0.48760%0.604SS.*  trans-58.3131.2-179-177.3-13.4000108.8S187 D191 M192 F193S187-N189 PolarHBondContact O-N 3.48Å; N189-D191 PolarHBondContact O-N 3.2Å; N189-D191 PolarHBondContact OD1-N 3.21Å; N189-M192 PolarHBondContact O-N 3.05Å; N189-F193 PolarHBondContact O-N 3.22Å
190I55.1Low49.5Very low115 Ų115114.4 Ų114.459%0.5959%0.592SS**Hα-helixtrans-50.7-31.6176.9-60.2173.9000110.9V188 R194V188-I190 PolarHBondContact O-N 3.28Å; I190-R194 VanDerWaalsContact O-CB 3.29Å; I190-R194 WeakPolarHBondContact O-CB 3.31Å; I190-R194 PolarHBondContact O-N 2.86Å
191D52.9Low50.7Low80 Ų80110.7 Ų110.743%0.42859%0.591SS.*Hα-helixtrans-71.1-41.5176.9-60.4-35.6000113N189 R194 D195N189-D191 PolarHBondContact O-N 3.2Å; N189-D191 PolarHBondContact OD1-N 3.21Å; D191-R194 PolarHBondContact O-N 2.96Å; D191-R194 IonicContact OD1-CZ 3.62Å; D191-R194 IonicContact OD1-NH1 2.86Å; D191-R194 PolarHBondContact OD1-NH1 3.48Å; D191-R194 IonicContact OD1-NH2 3.71Å; D191-D195 PolarHBondContact O-N 3.06Å
192M60.1Low51.8Low110 Ų110109.7 Ų109.754%0.54258%0.577SS.*Hα-helixtrans-66.4-41173.4-173.6176.27200111V188 N189 D195 I196V188-M192 HydrophobicContact CG1-CE 3.85Å; N189-M192 PolarHBondContact O-N 3.05Å; M192-D195 PolarHBondContact O-N 2.96Å; M192-I196 HydrophobicContact CG-CD1 4.14Å; M192-I196 VanDerWaalsContact O-CG1 3.31Å; M192-I196 WeakPolarHBondContact O-CG1 3.41Å; M192-I196 PolarHBondContact O-N 3.27Å
193F58.6Low53.1Low55 Ų55107.5 Ų107.524%0.24157%0.565CS.*Hα-helixtrans-57.5-48.7172.1177.9-106.5000111.1V188 N189 D195 I196 C197 C204 M207V188-F193 HydrophobicContact CG1-CB 4.27Å; N189-F193 PolarHBondContact O-N 3.22Å; F193-D195 VanDerWaalsContact C-N 3.35Å; F193-D195 PolarHBondContact O-N 2.97Å; F193-I196 WeakPolarHBondContact O-CB 2.94Å; F193-I196 PolarHBondContact O-N 3.22Å; F193-C197 PolarHBondContact O-N 2.92Å; F193-C197 PolarHBondContact O-SG 3.34Å; F193-C204 HydrophobicContact CE1-CB 3.73Å; F193-C204 HydrophobicContact CZ-CB 3.72Å; F193-M207 HydrophobicContact CE2-SD 3.71Å; F193-M207 HydrophobicContact CZ-CB 4.08Å; F193-M207 HydrophobicContact CZ-CG 4.3Å; F193-M207 HydrophobicContact CZ-SD 3.75Å
194R60.2Low54.3Low102 Ų10299.4 Ų99.439%0.38553%0.533SS..Hα-helixtrans-62.6-37.4-179.8-162.7-177-57.2104.9-6113I190 D191 C197 R198I190-R194 VanDerWaalsContact O-CB 3.29Å; I190-R194 WeakPolarHBondContact O-CB 3.31Å; I190-R194 PolarHBondContact O-N 2.86Å; D191-R194 PolarHBondContact O-N 2.96Å; D191-R194 IonicContact OD1-CZ 3.62Å; D191-R194 IonicContact OD1-NH1 2.86Å; D191-R194 PolarHBondContact OD1-NH1 3.48Å; D191-R194 IonicContact OD1-NH2 3.71Å; R194-C197 PolarHBondContact O-N 3.29Å; R194-R198 WeakPolarHBondContact O-CD 3.14Å; R194-R198 VanDerWaalsContact O-CG 3.25Å; R194-R198 WeakPolarHBondContact O-CG 3.49Å; R194-R198 PolarHBondContact O-N 2.79Å
195D63.1Low55.2Low83 Ų8399.1 Ų99.144%0.44453%0.533SS..Hα-helixtrans-74.8-31.2176.7-84.33.4000113D191 M192 F193 R198 G199D191-D195 PolarHBondContact O-N 3.06Å; M192-D195 PolarHBondContact O-N 2.96Å; F193-D195 VanDerWaalsContact C-N 3.35Å; F193-D195 PolarHBondContact O-N 2.97Å; D195-R198 VanDerWaalsContact OD1-CD 3.24Å; D195-R198 WeakPolarHBondContact OD1-CD 3.49Å; D195-R198 IonicContact OD1-CZ 2.65Å; D195-R198 IonicContact OD1-NE 2.68Å; D195-R198 IonicContact OD1-NH1 3.65Å; D195-R198 PolarHBondContact OD1-NH1 2.95Å; D195-G199 PolarHBondContact O-N 3.01Å
196I63.7Low56.2Low88 Ų8897.8 Ų97.845%0.45154%0.535SS..Hα-helixtrans-61.8-47.3167.3-69.9163.7000110.5M192 F193 R198 G199 L200M192-I196 HydrophobicContact CG-CD1 4.14Å; M192-I196 VanDerWaalsContact O-CG1 3.31Å; M192-I196 WeakPolarHBondContact O-CG1 3.41Å; M192-I196 PolarHBondContact O-N 3.27Å; F193-I196 WeakPolarHBondContact O-CB 2.94Å; F193-I196 PolarHBondContact O-N 3.22Å; I196-R198 PolarHBondContact O-N 3.29Å; I196-G199 PolarHBondContact O-N 2.87Å; I196-G199 VanDerWaalsContact O-N 3.1Å; I196-L200 HydrophobicContact CG2-CD1 3.81Å; I196-L200 WeakPolarHBondContact O-CG 3.44Å; I196-L200 PolarHBondContact O-N 3.11Å
197C60Low56.4Low13 Ų1395.2 Ų95.29%0.08851%0.513CS..Hα-helixtrans-60.6-43.4178.2-61.60000112.6F193 R194 G199 L200 S201 I202 C204F193-C197 PolarHBondContact O-N 2.92Å; F193-C197 PolarHBondContact O-SG 3.34Å; R194-C197 PolarHBondContact O-N 3.29Å; C197-G199 VanDerWaalsContact C-N 3.29Å; C197-G199 PolarHBondContact O-N 3.23Å; C197-L200 PolarHBondContact O-N 2.02Å; C197-S201 PolarHBondContact O-N 2.96Å; C197-I202 PolarHBondContact O-N 3.2Å; C197-C204 HydrophobicContact CB-CB 3.75Å; C197-C204 WeakPolarHBondContact CB-SG 3.36Å; C197-C204 WeakPolarHBondContact SG-CB 3.43Å; C197-C204 CovalentContact SG-SG 2.02Å; C197-C204 PolarHBondContact SG-SG 2.8Å
198R63.8Low56.6Low167 Ų16797.6 Ų97.663%0.6351%0.51SS*.Hα-helixtrans-60.5-35.7172.9-74.8162.2170.1167.3-2.6112.9R194 D195 I196 L200R194-R198 WeakPolarHBondContact O-CD 3.14Å; R194-R198 VanDerWaalsContact O-CG 3.25Å; R194-R198 WeakPolarHBondContact O-CG 3.49Å; R194-R198 PolarHBondContact O-N 2.79Å; D195-R198 VanDerWaalsContact OD1-CD 3.24Å; D195-R198 WeakPolarHBondContact OD1-CD 3.49Å; D195-R198 IonicContact OD1-CZ 2.65Å; D195-R198 IonicContact OD1-NE 2.68Å; D195-R198 IonicContact OD1-NH1 3.65Å; D195-R198 PolarHBondContact OD1-NH1 2.95Å; I196-R198 PolarHBondContact O-N 3.29Å; R198-L200 VanDerWaalsContact C-N 3.32Å
199G62.2Low56.1Low67 Ų67101.9 Ų101.969%0.69152%0.522SS*.Hα-helixtrans-73.2-19.7177.900000114.6D195 I196 C197D195-G199 PolarHBondContact O-N 3.01Å; I196-G199 PolarHBondContact O-N 2.87Å; I196-G199 VanDerWaalsContact O-N 3.1Å; C197-G199 VanDerWaalsContact C-N 3.29Å; C197-G199 PolarHBondContact O-N 3.23Å
200L62.2Low55.9Low108 Ų108105.5 Ų105.557%0.56553%0.53SS*.Hα-helixtrans-109.9-5.2-173.6-64.8173.2000114.4I196 C197 R198 I202I196-L200 HydrophobicContact CG2-CD1 3.81Å; I196-L200 WeakPolarHBondContact O-CG 3.44Å; I196-L200 PolarHBondContact O-N 3.11Å; C197-L200 PolarHBondContact O-N 2.02Å; R198-L200 VanDerWaalsContact C-N 3.32Å; L200-I202 HydrophobicContact CB-CB 4.45Å; L200-I202 HydrophobicContact CB-CD1 3.72Å; L200-I202 HydrophobicContact CB-CG1 3.83Å; L200-I202 HydrophobicContact CD1-CD1 3.94Å; L200-I202 HydrophobicContact CG-CD1 4.45Å; L200-I202 PolarHBondContact O-N 3.33Å
201S57.5Low55.4Low121 Ų121108.7 Ų108.785%0.84654%0.543SS*.THydrogen-bonded Turntrans55.530.1-170.8-56.30000114C197C197-S201 PolarHBondContact O-N 2.96Å
202I60.4Low55.3Low82 Ų82106 Ų10642%0.42153%0.533SS..  trans-94.4131.5177.6-64.4172.7000109C197 L200 C204 M207C197-I202 PolarHBondContact O-N 3.2Å; L200-I202 HydrophobicContact CB-CB 4.45Å; L200-I202 HydrophobicContact CB-CD1 3.72Å; L200-I202 HydrophobicContact CB-CG1 3.83Å; L200-I202 HydrophobicContact CD1-CD1 3.94Å; L200-I202 HydrophobicContact CG-CD1 4.45Å; L200-I202 PolarHBondContact O-N 3.33Å; I202-C204 PolarHBondContact O-N 3.41Å; I202-M207 HydrophobicContact CG2-CE 4.49Å
203D59.2Low55.1Low115 Ų115109.8 Ų109.862%0.61555%0.547SS*.  trans-72.5108.3165.7-165.9-27.2000109.5N205D203-N205 WeakPolarHBondContact OD1-CB 3.25Å; D203-N205 VanDerWaalsContact OD1-CG 3.28Å; D203-N205 PolarHBondContact OD1-N 3.14Å; D203-N205 PolarHBondContact OD1-ND2 3.03Å
204C59.6Low55.5Low25 Ų25111.7 Ų111.717%0.16956%0.564CS.*  trans-94.36.3-179.4-73.80000113.7F193 C197 I202 E206F193-C204 HydrophobicContact CE1-CB 3.73Å; F193-C204 HydrophobicContact CZ-CB 3.72Å; C197-C204 HydrophobicContact CB-CB 3.75Å; C197-C204 WeakPolarHBondContact CB-SG 3.36Å; C197-C204 WeakPolarHBondContact SG-CB 3.43Å; C197-C204 CovalentContact SG-SG 2.02Å; C197-C204 PolarHBondContact SG-SG 2.8Å; I202-C204 PolarHBondContact O-N 3.41Å; C204-E206 PolarHBondContact O-N 3.02Å
205N56.2Low56Low154 Ų154107.5 Ų107.582%0.82455%0.553SS**THydrogen-bonded Turntrans-66.9-18.1176-64.8-61.4000112.6D203D203-N205 WeakPolarHBondContact OD1-CB 3.25Å; D203-N205 VanDerWaalsContact OD1-CG 3.28Å; D203-N205 PolarHBondContact OD1-N 3.14Å; D203-N205 PolarHBondContact OD1-ND2 3.03Å
206E51.5Low56.7Low169 Ų169108.9 Ų108.979%0.7957%0.567SS**THydrogen-bonded Turntrans-102.80.2-176.1-166.1147.7-135.800114.5C204 K208C204-E206 PolarHBondContact O-N 3.02Å; E206-K208 VanDerWaalsContact C-N 3.31Å; E206-K208 PolarHBondContact O-N 2.83Å
207M43.6Very low57.4Low61 Ų61109.2 Ų109.230%0.357%0.574SS.*  trans-71.981.7176-74.3-160-177.700112.5F193 I202 F209 H290F193-M207 HydrophobicContact CE2-SD 3.71Å; F193-M207 HydrophobicContact CZ-CB 4.08Å; F193-M207 HydrophobicContact CZ-CG 4.3Å; F193-M207 HydrophobicContact CZ-SD 3.75Å; I202-M207 HydrophobicContact CG2-CE 4.49Å; M207-F209 PolarHBondContact O-N 3.27Å; M207-H290 HydrophobicContact CE-CB 3.97Å
208K44.3Very low58.1Low156 Ų156109.6 Ų109.668%0.67858%0.581SS**  trans-63.9120.6160.8-71.3176-178.1165.20109E206 Y210E206-K208 VanDerWaalsContact C-N 3.31Å; E206-K208 PolarHBondContact O-N 2.83Å; K208-Y210 WeakPolarHBondContact O-CD2 3.42Å; K208-Y210 PolarHBondContact O-N 3.25Å
209F37.1Very low58.9Low178 Ų178107 Ų10778%0.78159%0.586SS**  trans-62.7106.9166.8-75.4-94.1000109M207 E211M207-F209 PolarHBondContact O-N 3.27Å; F209-E211 PolarHBondContact O-N 3.27Å
210Y41.5Very low59.7Low166 Ų166107.4 Ų107.465%0.65158%0.576SS**  trans-78.6107.8164.6-73-85.9000108K208 G212 P289K208-Y210 WeakPolarHBondContact O-CD2 3.42Å; K208-Y210 PolarHBondContact O-N 3.25Å; Y210-G212 PolarHBondContact O-N 3.46Å; Y210-P289 HydrophobicContact CD2-CB 4.38Å; Y210-P289 HydrophobicContact CD2-CG 4.37Å
211E46.3Very low60.3Low183 Ų183104 Ų10486%0.85557%0.567SS**PPolyproline II helixtrans-56.7125.6166.1-65.6-172.9134.600109F209 K213F209-E211 PolarHBondContact O-N 3.27Å; E211-K213 PolarHBondContact O-N 3.12Å
212G49.6Very low61.4Low22 Ų22106.9 Ų106.923%0.22757%0.567CS.*PPolyproline II helixtrans-51.9127.3177.600000111.7Y210 D286Y210-G212 PolarHBondContact O-N 3.46Å; G212-D286 PolarHBondContact N-OD1 2.88Å
213K57.1Low62.2Low191 Ų191107.3 Ų107.383%0.8358%0.575SS**PPolyproline II helixtrans-48.5138.2179.4-73.3-179.8179.4174.70110.1E211E211-K213 PolarHBondContact O-N 3.12Å
214P65.8Low63Low94 Ų94103.7 Ų103.761%0.6157%0.565SS**PPolyproline II helixtrans-55144.1-178.1-23.532000111.8I280P214-I280 HydrophobicContact CB-CG2 3.45Å; P214-I280 VanDerWaalsContact CB-CG2 3.45Å
215G71.4Confident63.9Low15 Ų15112 Ų11216%0.15560%0.598CS.*PPolyproline II helixtrans-60.1156.3-176.500000112.4I280 G281G215-I280 WeakPolarHBondContact O-CG2 3.16Å; G215-G281 PolarHBondContact N-O 2.92Å
216P78Confident65Low112 Ų112110 Ų11073%0.72759%0.594SS**PPolyproline II helixtrans-55.5150.5173.825.8-34.7000110.5
217P78.9Confident66.2Low94 Ų94104.1 Ų104.161%0.6158%0.579SS**EExtended strand (participates in β ladder)trans-52.7142.7175.7-26.234.7000111.6
218G74.9Confident67.9Low21 Ų21107 Ų10722%0.21660%0.601CS.*EExtended strand (participates in β ladder)trans-58.1152.7176.100000112
219P79.6Confident69.5Low114 Ų114105.1 Ų105.174%0.7461%0.605SS**PPolyproline II helixtrans-55.7149.4174.926.6-35.1000110.1
220P79.3Confident71.4Confident75 Ų7598.8 Ų98.849%0.48759%0.59SS.*PPolyproline II helixtrans-62.5146.7-178.1-19.431.5000111.8K274P220-K274 HydrophobicContact CB-CD 4.49Å
221G74.8Confident73.3Confident36 Ų3696.8 Ų96.837%0.37160%0.598SS.*PPolyproline II helixtrans-58.5151.2175.800000113.1
222E79.6Confident74.9Confident181 Ų18195.9 Ų95.985%0.84659%0.593SS**PPolyproline II helixtrans-59.2153.9176.3-63.3-170.214700111.9
223P78.7Confident76.2Confident92 Ų9296.8 Ų96.860%0.59760%0.603SS**PPolyproline II helixtrans-59.7139.7175.5-21.533000112.1
224G74.5Confident77.3Confident38 Ų3893.8 Ų93.839%0.39260%0.602SS.*PPolyproline II helixtrans-57.8140.4173.500000111.9
225K79.8Confident78.1Confident199 Ų19996.9 Ų96.987%0.86561%0.612SS**PPolyproline II helixtrans-57.9147.1174.6-66.9-179.5-180177.70110.2
226P78.4Confident78.4Confident113 Ų11398.8 Ų98.873%0.73463%0.632SS**PPolyproline II helixtrans-54.3141.5175.1-25.534.6000112.1
227G76.7Confident78.6Confident46 Ų4699.4 Ų99.447%0.47464%0.636SS.*PPolyproline II helixtrans-63.5158.3174.200000112.4
228P79.2Confident78.7Confident120 Ų120100.9 Ų100.978%0.77965%0.645SS**PPolyproline II helixtrans-61.4156.1174.728.3-35.3000111.2G230P228-G230 PolarHBondContact O-N 2.79Å
229P79.1Confident78.9Confident118 Ų118102.9 Ų102.977%0.76667%0.666SS**PPolyproline II helixtrans-55.5138.2172.9-23.333.9000111.6
230G76.5Confident79Confident44 Ų44103.8 Ų103.845%0.45467%0.672SS.*PPolyproline II helixtrans-60.8155.7172.600000112.2P228P228-G230 PolarHBondContact O-N 2.79Å
231P80.9Confident79Confident125 Ų125105.9 Ų105.981%0.81269%0.688SS**PPolyproline II helixtrans-60.3155.3179.826.9-35.3000111.7G233P231-G233 PolarHBondContact O-N 2.93Å
232Q80.2Confident79.2Confident164 Ų164107.7 Ų107.777%0.76671%0.707SS**PPolyproline II helixtrans-62.3130.1173.7178.8170.7-27.900110.1
233G76.2Confident79.2Confident41 Ų41108 Ų10842%0.42371%0.708SS.*PPolyproline II helixtrans-61.7155.5175.100000112.5P231P231-G233 PolarHBondContact O-N 2.93Å
234P81.4Confident79.1Confident127 Ų127109.8 Ų109.883%0.82572%0.72SS**PPolyproline II helixtrans-59.7151-178.226.2-35.1000111.9G236P234-G236 PolarHBondContact O-N 3.48Å
235I81.6Confident78.8Confident160 Ų160111.5 Ų111.582%0.82174%0.737SS**PPolyproline II helixtrans-65132.6171.6-58.3174.9000107.9
236G77.9Confident78.4Confident54 Ų54108.3 Ų108.356%0.55774%0.735SS**PPolyproline II helixtrans-62.8153176.900000112.1P234P234-G236 PolarHBondContact O-N 3.48Å
237P82.2Confident78.1Confident125 Ų125109.6 Ų109.681%0.81274%0.744SS**PPolyproline II helixtrans-60.5150177.827.3-35000111.1
238P81.6Confident77.5Confident125 Ų125110.7 Ų110.781%0.81275%0.754SS**PPolyproline II helixtrans-54147170.7-2534.7000111.8
239G79.7Confident76.7Confident64 Ų64110.1 Ų110.166%0.6676%0.76SS**PPolyproline II helixtrans-61151.8173.100000111.8
240P80.3Confident75.7Confident132 Ų132116.3 Ų116.386%0.85777%0.768SS**PPolyproline II helixtrans-60.5144176.727.3-34.8000110.6G242P240-G242 PolarHBondContact O-N 3.09Å
241S80.4Confident75.4Confident119 Ų119116.6 Ų116.683%0.83277%0.77SS**PPolyproline II helixtrans-60.5137.7173.7-600000110.7
242G77.9Confident75Confident74 Ų74116.9 Ų116.976%0.76377%0.773SS**PPolyproline II helixtrans-59.8142.3172.900000111.3P240P240-G242 PolarHBondContact O-N 3.09Å
243Q79.1Confident74.7Confident187 Ų187118 Ų11887%0.87478%0.778SS**PPolyproline II helixtrans-65.7145.7175.1-64.4-176.39.300110.3G245Q243-G245 PolarHBondContact O-N 3.41Å
244P78.3Confident74.7Confident131 Ų131119 Ų11985%0.85179%0.788SS**PPolyproline II helixtrans-58127.1174.7-24.234.4000111.7
245G67.1Low74.7Confident73 Ų73121.8 Ų121.875%0.75379%0.79SS**PPolyproline II helixtrans-67.6148.2172.100000111.7Q243Q243-G245 PolarHBondContact O-N 3.41Å
246T72.1Confident74.6Confident132 Ų132120 Ų12081%0.8179%0.789SS**PPolyproline II helixtrans-66.8154.117143.50000111.2G248T246-G248 PolarHBondContact O-N 3.14Å
247P72.2Confident74.7Confident141 Ų141120.6 Ų120.692%0.91680%0.795SS**SBendtrans-60.9122.3-175.2-25.235.5000113.2
248G64.3Low74.7Confident68 Ų68120.8 Ų120.870%0.70180%0.796SS**  trans-147.4167.3174.500000110.8T246 R250T246-G248 PolarHBondContact O-N 3.14Å; G248-R250 PolarHBondContact O-N 3.42Å
249A61.5Low74.7Confident108 Ų108124 Ų12489%0.89380%0.801SS**SBendtrans-60.4134.2178.600000110.8G251A249-G251 PolarHBondContact O-N 3.31Å
250R59.2Low74.6Confident249 Ų249123.6 Ų123.694%0.9480%0.796SS**  trans-65.997.9-166.9-177.2-178.3178.8-177.20.7112.7G248G248-R250 PolarHBondContact O-N 3.42Å
251G69Low74.7Confident49 Ų49123.6 Ų123.651%0.50580%0.796SS.*PPolyproline II helixtrans-68.1168.4157.700000112A249A249-G251 PolarHBondContact O-N 3.31Å
252P73.1Confident74.6Confident132 Ų132128.6 Ų128.686%0.85780%0.797SS**PPolyproline II helixtrans-61.3146.816928.3-34.2000110.5G254P252-G254 PolarHBondContact O-N 3.39Å
253Q74.6Confident74.5Confident187 Ų187127.8 Ų127.887%0.87479%0.788SS**PPolyproline II helixtrans-64.3132.9172.6178.3178.4-28.100109.3
254G75.4Confident74.5Confident62 Ų62127.1 Ų127.164%0.63979%0.79SS**PPolyproline II helixtrans-61.9143.8174.500000111.7P252P252-G254 PolarHBondContact O-N 3.39Å
255E80.8Confident74.3Confident186 Ų186131.7 Ų131.787%0.86979%0.79SS**PPolyproline II helixtrans-62.2152.7177.8-62.8-165.3128.700111.7
256P81Confident74.5Confident122 Ų122130.3 Ų130.379%0.79278%0.775SS**PPolyproline II helixtrans-54.1141.9173.6-25.235000112
257G78.8Confident74.6Confident66 Ų66132 Ų13268%0.6878%0.778SS**PPolyproline II helixtrans-57.3148.417600000112.1
258P82.3Confident74.6Confident130 Ų130132.4 Ų132.484%0.84477%0.771SS**PPolyproline II helixtrans-60150.3-176.425.8-35.2000111.8G260P258-G260 PolarHBondContact O-N 3.37Å
259Q82.5Confident74.7Confident193 Ų193131.2 Ų131.290%0.90276%0.759SS**PPolyproline II helixtrans-54.9132.9175.2-172.5178.814.900110.4
260G77.2Confident75.3Confident55 Ų55134.2 Ų134.257%0.56776%0.759SS**PPolyproline II helixtrans-56.3148.8177.300000112.2P258P258-G260 PolarHBondContact O-N 3.37Å
261P81.7Confident76.1Confident131 Ų131129.4 Ų129.485%0.85175%0.747SS**PPolyproline II helixtrans-59.4143.2-174.225-34.8000111.7G263P261-G263 PolarHBondContact O-N 3.09Å
262R79.6Confident76.3Confident225 Ų225128.7 Ų128.785%0.84974%0.74SS**PPolyproline II helixtrans-56.1128.5174.4-176.2178.2-176.2165.44.6109.6
263G74.8Confident76.6Confident56 Ų56128.4 Ų128.458%0.57774%0.739SS**PPolyproline II helixtrans-53.1143.7177.300000112.4P261P261-G263 PolarHBondContact O-N 3.09Å
264L78.4Confident76.7Confident174 Ų174127 Ų12791%0.91173%0.729SS**PPolyproline II helixtrans-54.5143.6-177.9-66.8172.7000111.5G266L264-G266 PolarHBondContact O-N 2.98Å
265R75.7Confident76.6Confident227 Ų227125.4 Ų125.486%0.85771%0.713SS**PPolyproline II helixtrans-60.8128.9171.6-176.2177.3-178.5165.21.2108.6
266G70.7Confident76.5Confident43 Ų43121.8 Ų121.844%0.44371%0.706SS.*PPolyproline II helixtrans-54.3144.6175.400000111.7L264L264-G266 PolarHBondContact O-N 2.98Å
267L74.2Confident76.3Confident168 Ų168120.7 Ų120.788%0.8870%0.699SS**PPolyproline II helixtrans-54145.1177.9-70.5167000110.8G269L267-G269 PolarHBondContact O-N 2.04Å
268I72.3Confident75.9Confident150 Ų150118.6 Ų118.677%0.76968%0.677SS**PPolyproline II helixtrans-64126171.1-59.2175.5000107.2L270I268-L270 PolarHBondContact O-N 2.86Å
269G66.8Low75.6Confident43 Ų43118 Ų11844%0.44367%0.674SS.*PPolyproline II helixtrans-57.9135.317600000110.7L267L267-G269 PolarHBondContact O-N 2.04Å
270L73.4Confident75.2Confident171 Ų171114.4 Ų114.490%0.89566%0.659SS**PPolyproline II helixtrans-55.1144.6177.9-64.9175.1000110.4I268 G272I268-L270 PolarHBondContact O-N 2.86Å; L270-G272 PolarHBondContact O-N 3.45Å
271Q74.9Confident74.4Confident147 Ų147113 Ų11369%0.68764%0.644SS**PPolyproline II helixtrans-58.3130.5173.8-178169.96400109.3
272G73.3Confident73.5Confident35 Ų35112.1 Ų112.136%0.36164%0.639SS.*PPolyproline II helixtrans-59.6152.9177.900000111.7L270L270-G272 PolarHBondContact O-N 3.45Å
273P79.2Confident72.7Confident126 Ų126105.6 Ų105.682%0.81863%0.625SS**PPolyproline II helixtrans-57145.2179.525.7-34.7000111G275P273-G275 PolarHBondContact O-N 3.39Å
274K76.6Confident71.6Confident156 Ų156105 Ų10568%0.67862%0.619SS**PPolyproline II helixtrans-54.3133.1174.1-169.1178.5-172.8-177.20109.6P220P220-K274 HydrophobicContact CB-CD 4.49Å
275G73.7Confident70.4Confident29 Ų29104.9 Ų104.930%0.29961%0.611SS.*PPolyproline II helixtrans-58.6156.2178.900000112.4P273P273-G275 PolarHBondContact O-N 3.39Å
276P78.4Confident69.2Low110 Ų11098.8 Ų98.871%0.71460%0.596SS**PPolyproline II helixtrans-58.6160.1175.927.2-35.2000111.3
277P77.2Confident67.7Low100 Ų100101.6 Ų101.665%0.64961%0.609SS**PPolyproline II helixtrans-52.8145.2169.8-23.834.2000111.3
278G69.9Low66.2Low22 Ų2297.1 Ų97.123%0.22759%0.589CS.*EExtended strand (participates in β ladder)trans-60.9156.5171.300000111.2
279P76.2Confident64.8Low118 Ų11893.2 Ų93.277%0.76657%0.574SS**EExtended strand (participates in β ladder)trans-55.1152.1176.525.4-34.8000111G281P279-G281 PolarHBondContact O-N 3.16Å
280I74.5Confident63.6Low117 Ų11796.4 Ų96.460%0.658%0.577SS**EExtended strand (participates in β ladder)trans-54.2130.6172.4-65.1176.2000108.2P214 G215P214-I280 HydrophobicContact CB-CG2 3.45Å; P214-I280 VanDerWaalsContact CB-CG2 3.45Å; G215-I280 WeakPolarHBondContact O-CG2 3.16Å
281G60.9Low62.1Low24 Ų2490.2 Ų90.225%0.24755%0.546CS..PPolyproline II helixtrans-61.1152.817900000111.5G215 P279G215-G281 PolarHBondContact N-O 2.92Å; P279-G281 PolarHBondContact O-N 3.16Å
282P63.2Low60.8Low114 Ų11487.1 Ų87.174%0.7454%0.54SS*.PPolyproline II helixtrans-53.8153.3171.326.8-35.3000109.8G284P282-G284 PolarHBondContact O-N 3.23Å
283P61.7Low59.7Low88 Ų8889.2 Ų89.257%0.57154%0.543SS*.  trans-45138.5175.3-30.236.4000111.5K285P283-K285 PolarHBondContact O-N 3.32Å
284G53Low58.5Low43 Ų4387.8 Ų87.844%0.44353%0.532SS..  trans-55.4136.3172.400000109P282 D286P282-G284 PolarHBondContact O-N 3.23Å; G284-D286 PolarHBondContact O-N 3.47Å; G284-D286 VanDerWaalsContact O-N 3.09Å
285K53.3Low57.6Low171 Ų17184.5 Ų84.574%0.74352%0.521SS*.  trans-54.2122.7171-73.4-167.2175.2-163.70107.7P283 S287P283-K285 PolarHBondContact O-N 3.32Å; K285-S287 PolarHBondContact O-N 3.35Å
286D48.7Very low56.4Low99 Ų9985.5 Ų85.553%0.52952%0.523SS..  trans-59112.1-169.2-50.5-77.1000110.3G212 G284 P288G212-D286 PolarHBondContact N-OD1 2.88Å; G284-D286 PolarHBondContact O-N 3.47Å; G284-D286 VanDerWaalsContact O-N 3.09Å; D286-P288 WeakPolarHBondContact O-CD 3.06Å
287S39.4Very low55.1Low103 Ų10387.9 Ų87.972%0.7253%0.525SS*.  trans-65.6105.9153.850.40000105.3K285K285-S287 PolarHBondContact O-N 3.35Å
288P44Very low53.8Low73 Ų7393.9 Ų93.947%0.47454%0.541SS..  trans-63.6134.7-159.6-18.227.3000110.8D286 H290 T291D286-P288 WeakPolarHBondContact O-CD 3.06Å; P288-H290 PolarHBondContact O-N 2.84Å; P288-T291 HydrophobicContact CB-CG2 3.74Å; P288-T291 HydrophobicContact CG-CG2 3.67Å; P288-T291 PolarHBondContact O-N 3.36Å; P288-T291 VanDerWaalsContact O-N 3.12Å; P288-T291 PolarHBondContact O-OG1 3.34Å
289P41.7Very low52.9Low69 Ų6995.8 Ų95.845%0.44856%0.56SS.*THydrogen-bonded Turntrans-62.4-5.1-162.8-27.436.2000117.2Y210Y210-P289 HydrophobicContact CD2-CB 4.38Å; Y210-P289 HydrophobicContact CD2-CG 4.37Å
290H42.7Very low51.2Low110 Ų11092 Ų9251%0.50954%0.537SS..THydrogen-bonded Turntrans-133.927.7-178.6-56.3-73.9000113M207 P288 C292M207-H290 HydrophobicContact CE-CB 3.97Å; P288-H290 PolarHBondContact O-N 2.84Å; H290-C292 PolarHBondContact O-N 3.09Å; H290-C292 VanDerWaalsContact O-N 3.14Å
291T41.4Very low49.5Very low40 Ų4096.6 Ų96.625%0.24555%0.548CS..  trans-71.1108.7177.250.90000113.1P288 N293P288-T291 HydrophobicContact CB-CG2 3.74Å; P288-T291 HydrophobicContact CG-CG2 3.67Å; P288-T291 PolarHBondContact O-N 3.36Å; P288-T291 VanDerWaalsContact O-N 3.12Å; P288-T291 PolarHBondContact O-OG1 3.34Å; T291-N293 PolarHBondContact O-N 3.28Å; T291-N293 VanDerWaalsContact O-N 3.09Å; T291-N293 PolarHBondContact O-ND2 2.87Å; T291-N293 PolarHBondContact OG1-ND2 2.88Å
292C47.6Very low48.3Very low83 Ų83105.8 Ų105.856%0.56158%0.575SS**  trans-65.296.5148.6-56.10000108.1H290 V312H290-C292 PolarHBondContact O-N 3.09Å; H290-C292 VanDerWaalsContact O-N 3.14Å; C292-V312 HydrophobicContact CB-CG1 4.16Å
293N49.9Very low47Very low79 Ų79112.2 Ų112.242%0.42259%0.586SS.*EExtended strand (participates in β ladder)trans-81123.4176.9-72.6-65.7000109.5T291 L295 K313T291-N293 PolarHBondContact O-N 3.28Å; T291-N293 VanDerWaalsContact O-N 3.09Å; T291-N293 PolarHBondContact O-ND2 2.87Å; T291-N293 PolarHBondContact OG1-ND2 2.88Å; N293-L295 HydrophobicContact CB-CD1 3.94Å; N293-L295 PolarHBondContact O-N 2.86Å; N293-K313 PolarHBondContact N-O 3.5Å; N293-K313 VanDerWaalsContact N-O 3.16Å; N293-K313 PolarHBondContact O-N 3.28Å
294V54.4Low45.8Very low96 Ų96111.7 Ų111.758%0.58260%0.597SS**EExtended strand (participates in β ladder)trans-89.1100173.7-176.90000108.4C296 C310V294-C296 PolarHBondContact O-N 2.61Å; V294-C310 HydrophobicContact CG1-CB 3.83Å
295L58Low45.1Very low86 Ų86118.2 Ų118.245%0.4561%0.613SS.*EExtended strand (participates in β ladder)trans-90.591.5175.4-68.495.3000109.8N293 C310 E311 K313N293-L295 HydrophobicContact CB-CD1 3.94Å; N293-L295 PolarHBondContact O-N 2.86Å; L295-C310 WeakPolarHBondContact O-CA 3.07Å; L295-E311 PolarHBondContact N-O 3.36Å; L295-E311 PolarHBondContact O-N 3.34Å; L295-K313 HydrophobicContact CD1-CB 3.75Å; L295-K313 HydrophobicContact CD1-CD 4.09Å; L295-K313 HydrophobicContact CD1-CG 4Å
296C48.4Very low44.5Very low51 Ų51118.9 Ų118.935%0.34562%0.619SS.*EExtended strand (participates in β ladder)trans-80.6123.5162.9-57.50000109.5V294 C310V294-C296 PolarHBondContact O-N 2.61Å; C296-C310 HydrophobicContact CB-CB 4.04Å; C296-C310 WeakPolarHBondContact CB-SG 3.49Å; C296-C310 WeakPolarHBondContact SG-CB 3.5Å; C296-C310 CovalentContact SG-SG 2.04Å; C296-C310 PolarHBondContact SG-SG 3.44Å
297E51.7Low44.1Very low159 Ų159123 Ų12374%0.74364%0.635SS**  trans-63.5143.5174.9-71.7-154.5136.300111.7G299 S300E297-G299 PolarHBondContact O-N 2.79Å; E297-S300 PolarHBondContact O-N 3.41Å; E297-S300 PolarHBondContact O-OG 3.44Å
298K48.8Very low44.4Very low227 Ų227122.2 Ų122.299%0.98763%0.63SS**THydrogen-bonded Turntrans-80.352.7-170.5-155.3176.4-175.2179.40112.9
299G52.1Low44.7Very low62 Ų62122.1 Ų122.164%0.63964%0.635SS**THydrogen-bonded Turntrans-166.3-11.4-179.100000115.7E297 Y301E297-G299 PolarHBondContact O-N 2.79Å; G299-Y301 VanDerWaalsContact C-N 3.33Å; G299-Y301 PolarHBondContact O-N 3.38Å
300S39.9Very low45Very low38 Ų38121.4 Ų121.427%0.26663%0.631SS.*  trans-82.52.5-173.754.50000115.6E297 R302E297-S300 PolarHBondContact O-N 3.41Å; E297-S300 PolarHBondContact O-OG 3.44Å; S300-R302 PolarHBondContact O-N 3.32Å
301Y38.7Very low45.5Very low214 Ų214121.2 Ų121.284%0.83963%0.63SS**  trans-73.769.4172.5-77.6-83000112.3G299G299-Y301 VanDerWaalsContact C-N 3.33Å; G299-Y301 PolarHBondContact O-N 3.38Å
302R36.8Very low46Very low216 Ų216123.6 Ų123.682%0.81565%0.645SS**  trans-105.5111.1164.9-73.3-167.8176-151.8-0110S300 G304S300-R302 PolarHBondContact O-N 3.32Å; R302-G304 PolarHBondContact O-N 3.46Å
303Y34.3Very low46.2Very low249 Ų249124.3 Ų124.398%0.97664%0.638SS**THydrogen-bonded Turntrans-56.5127.9172.4-131.2-97.2000110.1
304G38.2Very low46.1Very low77 Ų77123.7 Ų123.779%0.79464%0.639SS**THydrogen-bonded Turntrans8224.9169.200000117.2R302R302-G304 PolarHBondContact O-N 3.46Å
305K37.2Very low45.9Very low180 Ų180124.6 Ų124.678%0.78365%0.645SS**  trans-132.3148.7156.1-76-158.1170.1-162.20111.4
306E40.1Very low45.4Very low186 Ų186127 Ų12787%0.86966%0.658SS**SBendtrans-65.5167.6175.6-66.6147.4158.400110.8
307E41.5Very low44.9Very low185 Ų185135.4 Ų135.486%0.86468%0.684SS**  trans68.749.6179.8-53.6-179.2177.100116.1A309E307-A309 PolarHBondContact O-N 3.48Å
308S44.9Very low44.4Very low87 Ų87134.5 Ų134.561%0.60868%0.683SS**  trans-70.677.716062.10000110.6C310S308-C310 PolarHBondContact O-N 3.31Å; S308-C310 VanDerWaalsContact O-N 3.09Å
309A51.1Low43.8Very low71 Ų71132.4 Ų132.459%0.58768%0.677SS**  trans-63.3109.6-177.100000112E307E307-A309 PolarHBondContact O-N 3.48Å
310C48Very low43Very low54 Ų54132.2 Ų132.237%0.36568%0.675SS.*EExtended strand (participates in β ladder)trans-116.6118.6164.8-62.80000108V294 L295 C296 S308V294-C310 HydrophobicContact CG1-CB 3.83Å; L295-C310 WeakPolarHBondContact O-CA 3.07Å; C296-C310 HydrophobicContact CB-CB 4.04Å; C296-C310 WeakPolarHBondContact CB-SG 3.49Å; C296-C310 WeakPolarHBondContact SG-CB 3.5Å; C296-C310 CovalentContact SG-SG 2.04Å; C296-C310 PolarHBondContact SG-SG 3.44Å; S308-C310 PolarHBondContact O-N 3.31Å; S308-C310 VanDerWaalsContact O-N 3.09Å
311E52.5Low42.8Very low105 Ų105139.2 Ų139.249%0.49170%0.701SS.*EExtended strand (participates in β ladder)trans-88122.4-176.1-165.2-172.2173.200110.1L295 K313L295-E311 PolarHBondContact N-O 3.36Å; L295-E311 PolarHBondContact O-N 3.34Å; E311-K313 HydrophobicContact CG-CG 4.25Å; E311-K313 PolarHBondContact O-N 3.35Å; E311-K313 WeakPolarHBondContact OE1-CE 3.01Å; E311-K313 IonicContact OE1-NZ 2.61Å; E311-K313 PolarHBondContact OE1-NZ 3.3Å; E311-K313 IonicContact OE2-NZ 3.86Å; E311-K313 PolarHBondContact OE2-NZ 3.48Å
312V51.5Low42.9Very low91 Ų91137 Ų13755%0.55270%0.698SS**EExtended strand (participates in β ladder)trans-8796.9176.4-175.40000109C292 C314C292-V312 HydrophobicContact CB-CG1 4.16Å; V312-C314 PolarHBondContact O-N 2.96Å
313K53Low42.7Very low98 Ų98135.7 Ų135.743%0.42670%0.701SS.*EExtended strand (participates in β ladder)trans-89.397.5174.8-73.9-169.3158.7112.10110.4N293 L295 E311N293-K313 PolarHBondContact N-O 3.5Å; N293-K313 VanDerWaalsContact N-O 3.16Å; N293-K313 PolarHBondContact O-N 3.28Å; L295-K313 HydrophobicContact CD1-CB 3.75Å; L295-K313 HydrophobicContact CD1-CD 4.09Å; L295-K313 HydrophobicContact CD1-CG 4Å; E311-K313 HydrophobicContact CG-CG 4.25Å; E311-K313 PolarHBondContact O-N 3.35Å; E311-K313 WeakPolarHBondContact OE1-CE 3.01Å; E311-K313 IonicContact OE1-NZ 2.61Å; E311-K313 PolarHBondContact OE1-NZ 3.3Å; E311-K313 IonicContact OE2-NZ 3.86Å; E311-K313 PolarHBondContact OE2-NZ 3.48Å
314C46.6Very low42.7Very low66 Ų66131.7 Ų131.745%0.44670%0.696SS.*  trans-81.6127.5160.9-550000108.4V312 N316V312-C314 PolarHBondContact O-N 2.96Å; C314-N316 PolarHBondContact O-N 3.22Å
315T49.7Very low42.4Very low114 Ų114137.7 Ų137.770%0.69972%0.717SS**  trans-78.5102.6171.6460000108.9
316N48.1Very low42.7Very low136 Ų136135.6 Ų135.673%0.72771%0.714SS**  trans-61.5148.3-169.7-82.8-7.8000114.5C314 I318C314-N316 PolarHBondContact O-N 3.22Å; N316-I318 PolarHBondContact O-N 3.42Å
317Y38.3Very low42.8Very low228 Ų228132.9 Ų132.989%0.89471%0.706SS**  trans-69.4116.6172.4-159.5-101.8000109.9
318I40.4Very low42.9Very low141 Ų141130 Ų13072%0.72370%0.697SS**  trans-136.2123.3175.2-55.3174.6000103.8N316N316-I318 PolarHBondContact O-N 3.42Å
319E36.5Very low42.8Very low182 Ų182132.5 Ų132.585%0.8570%0.702SS**SBendcis-148.7141.324.1-145.7162-151.400110.6
320G35.6Very low42.2Very low59 Ų59136.4 Ų136.461%0.60871%0.71SS**  trans120.7126.6162.600000117.2
321K36.5Very low41.9Very low185 Ų185141.9 Ų141.980%0.80473%0.733SS**  trans68.498.8176.9-57.4-159.3173.3-163.20114.7
322E39.7Very low41.1Very low167 Ų167144.5 Ų144.578%0.7875%0.75SS**  86.297.278.6-79.9172.3143.400111.1
323E33.9Very low40.3Very low189 Ų189148.6 Ų148.688%0.88377%0.765SS**  trans21.3122.3156.1-56.4-175.2134.900120
324L32.4Very low39.2Very low164 Ų164152.8 Ų152.886%0.85979%0.793SS**  -155112.4118.5-107.6156.4000111.1
325T33.1Very low38.6Very low203 Ų203160.7 Ų160.7100%1.24583%0.825SS**  trans0.4016759.70000119.3

Retrieved 325 of 325 residues in 246.2 ms (Link to these results)