A0A060XK44_ONCMY Loading...

Small ribosomal subunit protein mS40

AlphaFold DB , UniProt , Accession A0A060XK44, Species ONCMY (Oncorhynchus mykiss, Rainbow trout), Gene mrps18b, Length 241 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
1M41.8Very low45.3Very low251 Ų251148.6 Ų148.6100%1.23685%0.854SS**  01150-70.8-101.4-115.300107.3
2A40.1Very low45.3Very low106 Ų106149.3 Ų149.388%0.87685%0.851SS**  trans-93.8147.9-170.100000112.1
3A40.2Very low44.9Very low91 Ų91146.8 Ų146.875%0.75285%0.846SS**  trans-171.4104.2153.300000106.5
4S41.9Very low44.8Very low110 Ų110152.5 Ų152.577%0.76985%0.847SS**  52.593.570.3-156.60000113.8
5I53.9Low44.9Very low167 Ų167151.9 Ų151.986%0.85685%0.848SS**  trans-130.9124.3158.6-52.6179.1000107.7
6R44.9Very low44.8Very low223 Ų223150.3 Ų150.384%0.84284%0.844SS**  trans-78.6138.1-167.4-66.3175173.8-166.5-3111.3
7G41.7Very low45.2Very low79 Ų79148 Ų14881%0.81484%0.837SS**  trans-69.1140.8169.500000112
8V56.3Low45.2Very low148 Ų148149.8 Ų149.890%0.89784%0.843SS**  trans-94.7113.8173178.30000108.2
9G43.8Very low45.3Very low62 Ų62150.1 Ų150.164%0.63984%0.841SS**  trans-72.3140.9179.200000112.8
10R46.4Very low45.1Very low243 Ų243149.6 Ų149.692%0.91784%0.836SS**  trans-71.3120.3169.8-70.2176.6174.8175.8-2.1109.5
11I47.9Very low45.1Very low155 Ų155149.6 Ų149.680%0.79583%0.829SS**  trans-90.6109.5168.8-63.8174.9000108.1
12L44.7Very low44.9Very low157 Ų157145.2 Ų145.282%0.82281%0.811SS**  trans-84103.8167-77.4160.8000108.3R14L12-R14 PolarHBondContact O-N 3.47Å
13C40.4Very low45Very low116 Ų116146.1 Ų146.178%0.78480%0.8SS**  trans-89.2100.4163.4-78.80000109.1
14R43.6Very low44.9Very low227 Ų227153.5 Ų153.586%0.85781%0.808SS**  trans-76.2122.9161.8-72-177.5169.8-177.6-2.5108.5L12L12-R14 PolarHBondContact O-N 3.47Å
15V45.5Very low44.9Very low143 Ų143155 Ų15587%0.86780%0.803SS**  trans-139.8111.6153-166.50000108
16T43.9Very low44.4Very low126 Ų126154.8 Ų154.877%0.77380%0.804SS**  trans-98.7169.8169.811.80000109.4
17P51.5Low44.2Very low112 Ų112152.7 Ų152.773%0.72780%0.801SS**  -103.3165.5-127.640.5-33.7000113.3
18L45.1Very low44.5Very low180 Ų180154.3 Ų154.394%0.94280%0.799SS**  trans-118.8120.6160.1-76.2172.5000110.7
19L48Very low43.8Very low155 Ų155154.8 Ų154.881%0.81280%0.796SS**  trans-52.4143.6163.9-73.9142.9000111.3
20L41.4Very low43.6Very low140 Ų140157.1 Ų157.173%0.73380%0.8SS**  179.4111.8118.6-95.9147.4000111.3
21Q44.6Very low43.2Very low151 Ų151151.6 Ų151.671%0.70679%0.793SS**  trans36.1125.5135.7-59.3170.3-0.100118.9
22N37.8Very low42.7Very low159 Ų159154 Ų15485%0.8579%0.792SS**  -157.5130.9101.6-105.8-55.7000113.6
23I41.2Very low42.4Very low124 Ų124154 Ų15464%0.63679%0.792SS**  trans-87.4124.1177.3-66.6164.2000106.7Q25I23-Q25 HydrophobicContact CG2-CB 4.36Å; I23-Q25 HydrophobicContact CG2-CG 3.77Å
24R37.9Very low42.4Very low246 Ų246158.9 Ų158.993%0.92879%0.794SS**  trans-12087.3156.2-85.6-169.3174.2-163.9-0.5108.7N26R24-N26 PolarHBondContact O-N 3.21Å
25Q43.2Very low42.5Very low143 Ų143153.7 Ų153.767%0.66879%0.79SS**  trans-76.9106.1161.6-74.1174.8-4.200107.6I23 K27I23-Q25 HydrophobicContact CG2-CB 4.36Å; I23-Q25 HydrophobicContact CG2-CG 3.77Å; Q25-K27 PolarHBondContact O-N 3.31Å
26N42.1Very low42.2Very low162 Ų162158.6 Ų158.687%0.86679%0.793SS**  trans-73.8103.6160.6-89.2-7.4000107.7R24 S28R24-N26 PolarHBondContact O-N 3.21Å; N26-S28 PolarHBondContact O-N 3.44Å
27K40.9Very low42Very low179 Ų179156.6 Ų156.678%0.77879%0.789SS**  trans-77.9109.9168.2-67.9179.7178.81780108Q25Q25-K27 PolarHBondContact O-N 3.31Å
28S48.1Very low41.4Very low113 Ų113157.4 Ų157.479%0.7979%0.791SS**  trans-76.9124.6163.652.50000109.3N26N26-S28 PolarHBondContact O-N 3.44Å
29L41.8Very low41Very low158 Ų158158.3 Ų158.383%0.82779%0.788SS**  trans-72.8137.5171.4-68.7167.2000110.1V31L29-V31 PolarHBondContact O-N 3.45Å
30P40Very low40.7Very low110 Ų110156.6 Ų156.671%0.71479%0.786SS**  trans-86108.1171.232.3-28.2000109.5R32P30-R32 PolarHBondContact O-N 3.2Å
31V38.8Very low40.6Very low128 Ų128153.4 Ų153.478%0.77679%0.788SS**  trans-81.796.4163.9179.60000107.4L29 L33L29-V31 PolarHBondContact O-N 3.45Å; V31-L33 HydrophobicContact CG1-CD1 4.23Å
32R36.6Very low40.3Very low204 Ų204153 Ų15377%0.7780%0.795SS**  trans-82.6116.4162.2-73.7-174178-141.30.3108P30P30-R32 PolarHBondContact O-N 3.2Å
33L38.9Very low40.7Very low159 Ų159155.1 Ų155.183%0.83280%0.8SS**  trans-116.1121.4156.3-94.2149.8000107.5V31V31-L33 HydrophobicContact CG1-CD1 4.23Å
34W38.9Very low40.8Very low218 Ų218154.2 Ų154.283%0.82680%0.804SS**  trans-89.1166178.2-102.415.9000111
35P47.2Very low41Very low118 Ų118147.8 Ų147.877%0.76680%0.797SS**  trans-89.9160.5-147.536-34.6000112.6
36R38.7Very low41Very low246 Ų246148.4 Ų148.493%0.92880%0.804SS**  trans-137.7110.5162.8-150173.4-176.9-177.1-0.2112.1
37A38.9Very low41.2Very low84 Ų84144.7 Ų144.769%0.69480%0.796SS**  trans50.9110.7139.300000120
38V39.2Very low41.3Very low128 Ų128143.3 Ų143.378%0.77680%0.797SS**  trans-34.2134142.5176.50000113.1
39F36.1Very low40.9Very low200 Ų200143.4 Ų143.488%0.87780%0.796SS**  trans-152.3151.5133.6-86.4-68.7000110.2
40P41.9Very low41Very low118 Ų118142.1 Ų142.177%0.76680%0.795SS**  trans-99.6161.2-151.637.6-35000114.6
41G39.2Very low41.1Very low74 Ų74140.8 Ų140.876%0.76379%0.793SS**  trans98.985.2142.100000116.8
42V39.5Very low41.1Very low142 Ų142139.3 Ų139.386%0.86179%0.794SS**  trans-142.1110.6142.9-178.50000107.4S44V42-S44 PolarHBondContact O-N 3.06Å
43Q46.3Very low41.4Very low203 Ų203134.1 Ų134.195%0.94979%0.789SS**  trans-70.7112.9168.8-69.5-179.817.600107.6
44S42.4Very low41.8Very low105 Ų105131.6 Ų131.673%0.73478%0.782SS**  trans-110.2123.5165.7-1660000107.9V42 L46V42-S44 PolarHBondContact O-N 3.06Å; S44-L46 PolarHBondContact O-N 3.34Å
45S43.4Very low41.7Very low111 Ų111129.8 Ų129.878%0.77678%0.783SS**  trans-44.4118.5-174.449.20000113.9A47S45-A47 PolarHBondContact O-N 2.93Å
46L42.3Very low41.6Very low157 Ų157131.5 Ų131.582%0.82278%0.784SS**  trans-61.4100162.7-90.7150.8000109.3S44 L48S44-L46 PolarHBondContact O-N 3.34Å; L46-L48 PolarHBondContact O-N 2.88Å
47A45.2Very low41.4Very low84 Ų84122 Ų12269%0.69475%0.754SS**  trans-78.598154.600000107S45 C49S45-A47 PolarHBondContact O-N 2.93Å; A47-C49 PolarHBondContact O-N 3.33Å
48L43Very low41.6Very low150 Ų150124.2 Ų124.279%0.78577%0.765SS**  trans-67.685.9168.6-78.4157.8000108.4L46 T50L46-L48 PolarHBondContact O-N 2.88Å; L48-T50 PolarHBondContact O-N 3.46Å
49C40.3Very low41.6Very low115 Ų115123.2 Ų123.278%0.77776%0.755SS**  trans-82.9101.8158-64.30000106.4A47 A51A47-C49 PolarHBondContact O-N 3.33Å; C49-A51 VanDerWaalsContact C-N 3.3Å; C49-A51 PolarHBondContact O-N 3.22Å
50T43.9Very low41.9Very low130 Ų130116.9 Ų116.980%0.79875%0.746SS**  trans-66.893.8168.8-53.10000107.5L48 A52L48-T50 PolarHBondContact O-N 3.46Å; T50-A52 PolarHBondContact O-N 2.89Å
51A42.9Very low42.2Very low83 Ų83113.9 Ų113.969%0.68674%0.736SS**  trans-60.3119.9160.700000106.3C49 S53C49-A51 VanDerWaalsContact C-N 3.3Å; C49-A51 PolarHBondContact O-N 3.22Å; A51-S53 VanDerWaalsContact C-N 3.26Å; A51-S53 PolarHBondContact O-N 2.81Å
52A38.9Very low42.8Very low96 Ų96116.5 Ų116.579%0.79373%0.729SS**  trans-60.595.9169.800000107.3T50T50-A52 PolarHBondContact O-N 2.89Å
53S42.5Very low43.4Very low96 Ų96111.8 Ų111.867%0.67171%0.705SS**  trans-55.1134161.2-66.80000106.8A51 E55A51-S53 VanDerWaalsContact C-N 3.26Å; A51-S53 PolarHBondContact O-N 2.81Å; S53-E55 PolarHBondContact O-N 3.45Å
54P46.9Very low44.1Very low105 Ų105107 Ų10768%0.68269%0.685SS**  trans-55.9120.4166.322.3-28.6000106.7I56P54-I56 PolarHBondContact O-N 3.36Å
55E36.6Very low45.4Very low180 Ų180104.6 Ų104.684%0.84167%0.672SS**  trans-58.6108.8173.6-60.1-156.8-178.700106.9S53 P57S53-E55 PolarHBondContact O-N 3.45Å; E55-P57 WeakPolarHBondContact O-CD 3.32Å
56I46.3Very low47.5Very low154 Ų154105.1 Ų105.179%0.7966%0.656SS**  trans-65.6112.8169-61.1172000104.2P54 S58P54-I56 PolarHBondContact O-N 3.36Å; I56-S58 PolarHBondContact O-N 2.88Å; I56-S58 VanDerWaalsContact O-N 3.09Å
57P34.6Very low49.8Very low47 Ų4798.8 Ų98.831%0.30562%0.622SS.*  trans-59.7121.7-178.7-18.531.3000108E55 D59E55-P57 WeakPolarHBondContact O-CD 3.32Å; P57-D59 PolarHBondContact O-N 3.24Å; P57-D59 VanDerWaalsContact O-N 3.1Å
58S42.5Very low51.9Low131 Ų131101.7 Ų101.792%0.91662%0.619SS**SBendtrans-76.210.6-174.665.60000113.6I56I56-S58 PolarHBondContact O-N 2.88Å; I56-S58 VanDerWaalsContact O-N 3.09Å
59D38.8Very low54.2Low107 Ų107101.2 Ų101.257%0.57262%0.617SS**  trans-110.5111.5177.7-154.5-2.3000110P57 G61 E62P57-D59 PolarHBondContact O-N 3.24Å; P57-D59 VanDerWaalsContact O-N 3.1Å; D59-G61 PolarHBondContact O-N 3.46Å; D59-E62 PolarHBondContact O-N 3.02Å
60G43.4Very low56.7Low67 Ų67102.3 Ų102.369%0.69161%0.605SS**Hα-helixtrans-61.4-15.6-175.200000113.9
61G47Very low59.2Low54 Ų5496.2 Ų96.256%0.55757%0.567SS**Hα-helixtrans-76.4-30.8173.300000114.2D59D59-G61 PolarHBondContact O-N 3.46Å
62E52.5Low61.6Low129 Ų12995.2 Ų95.260%0.60355%0.546SS*.Hα-helixtrans-83.5-31.1-173.2-165.4153.3-172.900112.2D59 L64 A65D59-E62 PolarHBondContact O-N 3.02Å; E62-L64 VanDerWaalsContact C-N 3.28Å; E62-L64 PolarHBondContact O-N 3.22Å; E62-A65 PolarHBondContact O-N 3.13Å
63A52.3Low64.3Low43 Ų4393 Ų9336%0.35552%0.521SS..Hα-helixtrans-62.2-33.2172.800000113A65A63-A65 VanDerWaalsContact C-N 3.28Å; A63-A65 PolarHBondContact O-N 2.61Å
64L60.5Low66.9Low104 Ų10488.7 Ų88.755%0.54549%0.49SS..THydrogen-bonded Turntrans-73.5-20.5179.7-163.1121.2000112.8E62E62-L64 VanDerWaalsContact C-N 3.28Å; E62-L64 PolarHBondContact O-N 3.22Å
65A69.3Low69.2Low54 Ų5484.4 Ų84.445%0.44646%0.461SS..THydrogen-bonded Turntrans-86-23.8-179.500000113.2E62 A63 Y67 K68E62-A65 PolarHBondContact O-N 3.13Å; A63-A65 VanDerWaalsContact C-N 3.28Å; A63-A65 PolarHBondContact O-N 2.61Å; A65-Y67 VanDerWaalsContact C-N 3.3Å; A65-Y67 PolarHBondContact O-N 3.3Å; A65-Y67 VanDerWaalsContact O-N 3.13Å; A65-K68 WeakPolarHBondContact O-CB 3.14Å; A65-K68 PolarHBondContact O-N 3.33Å; A65-K68 VanDerWaalsContact O-N 3.14Å
66R87.1Confident71.9Confident121 Ų12181.2 Ų81.246%0.45745%0.446SS..THydrogen-bonded Turntrans-52.1-42.8-169.3-172.9-177.5-69.6161.7-3.6114.1E79R66-E79 IonicContact NH1-OE1 3.16Å; R66-E79 PolarHBondContact NH1-OE1 3.28Å; R66-E79 VanDerWaalsContact NH1-OE1 3.16Å
67Y90.9Very high74.3Confident25 Ų2574.7 Ų74.710%0.09841%0.414CS..THydrogen-bonded Turntrans-107.911.9-174.9-54.8-68.3000113.9A65 R70 P71 D73 Y74 E79 N128A65-Y67 VanDerWaalsContact C-N 3.3Å; A65-Y67 PolarHBondContact O-N 3.3Å; A65-Y67 VanDerWaalsContact O-N 3.13Å; Y67-R70 CarbonylContact O-C 3.58Å; Y67-P71 VanDerWaalsContact O-CA 3.29Å; Y67-P71 WeakPolarHBondContact O-CA 3.41Å; Y67-D73 HydrophobicContact CD1-CB 4.3Å; Y67-Y74 AromaticContact CD2-CD2 3.81Å; Y67-Y74 HydrophobicContact CD2-CD2 3.81Å; Y67-Y74 HydrophobicContact CD2-CG 4.15Å; Y67-Y74 AromaticContact CE2-CD2 3.49Å; Y67-Y74 HydrophobicContact CE2-CD2 3.49Å; Y67-Y74 VanDerWaalsContact CE2-CD2 3.49Å; Y67-Y74 HydrophobicContact CE2-CE2 4.28Å; Y67-Y74 HydrophobicContact CE2-CG 4.24Å; Y67-Y74 HydrophobicContact CG-CD2 4.43Å; Y67-Y74 HydrophobicContact CG-CG 4.4Å; Y67-Y74 AromaticContact CZ-CD2 3.88Å; Y67-E79 PolarHBondContact OH-OE2 3.24Å; Y67-N128 HydrophobicContact CD2-CB 4.17Å
68K89.8Confident77.2Confident145 Ų14579.8 Ų79.863%0.6343%0.434SS*.SBendtrans-66.9-43.2-173.7-169.8176.2179.3-175.70112.5A65A65-K68 WeakPolarHBondContact O-CB 3.14Å; A65-K68 PolarHBondContact O-N 3.33Å; A65-K68 VanDerWaalsContact O-N 3.14Å
69D90.9Very high79.7Confident139 Ų13977 Ų7774%0.74341%0.407SS*.SBendtrans-81.4-35.2-178-61.6-29.2000111.9P71D69-P71 VanDerWaalsContact C-CD 3.48Å; D69-P71 WeakPolarHBondContact O-CD 3.31Å
70R93.9Very high82.4Confident139 Ų13972.6 Ų72.653%0.52538%0.382SS..  trans-124.675.7179.3-61.5176.959.6137.22.5111.8Y67 W72 D73Y67-R70 CarbonylContact O-C 3.58Å; R70-W72 HydrophobicContact CB-CH2 4.39Å; R70-W72 HydrophobicContact CB-CZ2 3.87Å; R70-W72 HydrophobicContact CG-CH2 4.26Å; R70-W72 HydrophobicContact CG-CZ2 3.72Å; R70-W72 PolarHBondContact O-N 3.29Å; R70-W72 VanDerWaalsContact O-N 3.16Å; R70-D73 WeakPolarHBondContact CB-OD2 3.42Å; R70-D73 WeakPolarHBondContact CD-OD2 3.19Å; R70-D73 IonicContact CZ-OD1 3.97Å; R70-D73 IonicContact CZ-OD2 3.65Å; R70-D73 IonicContact NE-OD1 3.59Å; R70-D73 IonicContact NE-OD2 2.81Å; R70-D73 PolarHBondContact NE-OD2 3.4Å; R70-D73 IonicContact NH2-OD1 3.43Å; R70-D73 PolarHBondContact NH2-OD1 3.02Å; R70-D73 IonicContact NH2-OD2 3.8Å; R70-D73 PolarHBondContact O-N 3.46Å
71P94.9Very high84.9Confident1 Ų174.1 Ų74.11%0.00637%0.373CS..Hα-helixtrans-61.4-23.7-177.6-29.638000116Y67 D69 D73 I130 N132 N135Y67-P71 VanDerWaalsContact O-CA 3.29Å; Y67-P71 WeakPolarHBondContact O-CA 3.41Å; D69-P71 VanDerWaalsContact C-CD 3.48Å; D69-P71 WeakPolarHBondContact O-CD 3.31Å; P71-D73 VanDerWaalsContact C-N 3.33Å; P71-I130 HydrophobicContact CB-CB 4.02Å; P71-I130 HydrophobicContact CG-CB 4.03Å; P71-I130 HydrophobicContact CG-CD1 4.49Å; P71-I130 HydrophobicContact CG-CG2 4.05Å; P71-N132 HydrophobicContact CG-CB 4.18Å; P71-N135 PolarHBondContact O-ND2 2.92Å
72W94.8Very high87.3Confident62 Ų6275.9 Ų75.924%0.23538%0.382CS..Hα-helixtrans-72.8-25.9-17950.383.3000112.8R70 Y74 L75 Q134R70-W72 HydrophobicContact CB-CH2 4.39Å; R70-W72 HydrophobicContact CB-CZ2 3.87Å; R70-W72 HydrophobicContact CG-CH2 4.26Å; R70-W72 HydrophobicContact CG-CZ2 3.72Å; R70-W72 PolarHBondContact O-N 3.29Å; R70-W72 VanDerWaalsContact O-N 3.16Å; W72-Y74 PolarHBondContact O-N 2.61Å; W72-L75 PolarHBondContact O-N 3.35Å; W72-Q134 HydrophobicContact CE3-CB 3.94Å; W72-Q134 HydrophobicContact CZ3-CB 3.69Å; W72-Q134 HydrophobicContact CZ3-CG 4.42Å
73D95.9Very high89.3Confident50 Ų5075.2 Ų75.227%0.26738%0.382SS..Hα-helixtrans-63.7-30.3178.6-62.8-17.4000110.7Y67 R70 P71 L75 E76 S77Y67-D73 HydrophobicContact CD1-CB 4.3Å; R70-D73 WeakPolarHBondContact CB-OD2 3.42Å; R70-D73 WeakPolarHBondContact CD-OD2 3.19Å; R70-D73 IonicContact CZ-OD1 3.97Å; R70-D73 IonicContact CZ-OD2 3.65Å; R70-D73 IonicContact NE-OD1 3.59Å; R70-D73 IonicContact NE-OD2 2.81Å; R70-D73 PolarHBondContact NE-OD2 3.4Å; R70-D73 IonicContact NH2-OD1 3.43Å; R70-D73 PolarHBondContact NH2-OD1 3.02Å; R70-D73 IonicContact NH2-OD2 3.8Å; R70-D73 PolarHBondContact O-N 3.46Å; P71-D73 VanDerWaalsContact C-N 3.33Å; D73-L75 PolarHBondContact O-N 3.32Å; D73-E76 PolarHBondContact O-N 3.19Å; D73-S77 PolarHBondContact O-N 3.24Å
74Y95.7Very high91.4Very high5 Ų573.8 Ų73.82%0.0237%0.368CS..Hα-helixtrans-62.2-38.5176.7178-120.2000113Y67 W72 E76 S77 E79 Y80 N128 V129Y67-Y74 AromaticContact CD2-CD2 3.81Å; Y67-Y74 HydrophobicContact CD2-CD2 3.81Å; Y67-Y74 HydrophobicContact CD2-CG 4.15Å; Y67-Y74 AromaticContact CE2-CD2 3.49Å; Y67-Y74 HydrophobicContact CE2-CD2 3.49Å; Y67-Y74 VanDerWaalsContact CE2-CD2 3.49Å; Y67-Y74 HydrophobicContact CE2-CE2 4.28Å; Y67-Y74 HydrophobicContact CE2-CG 4.24Å; Y67-Y74 HydrophobicContact CG-CD2 4.43Å; Y67-Y74 HydrophobicContact CG-CG 4.4Å; Y67-Y74 AromaticContact CZ-CD2 3.88Å; W72-Y74 PolarHBondContact O-N 2.61Å; Y74-E76 PolarHBondContact O-N 2.87Å; Y74-S77 VanDerWaalsContact O-CB 3.31Å; Y74-S77 WeakPolarHBondContact O-CB 3.25Å; Y74-S77 PolarHBondContact O-N 3.25Å; Y74-S77 VanDerWaalsContact O-N 3.13Å; Y74-S77 PolarHBondContact O-OG 2.98Å; Y74-E79 HydrophobicContact CE2-CB 4.37Å; Y74-Y80 HydrophobicContact CD1-CD2 4.29Å; Y74-Y80 AromaticContact CE1-CD2 3.76Å; Y74-Y80 HydrophobicContact CE1-CD2 3.76Å; Y74-Y80 WeakPolarHBondContact O-CB 3.45Å; Y74-N128 HydrophobicContact CD1-CB 3.75Å; Y74-N128 HydrophobicContact CD2-CB 3.78Å; Y74-N128 HydrophobicContact CE1-CB 3.63Å; Y74-N128 HydrophobicContact CE2-CB 3.66Å; Y74-N128 HydrophobicContact CG-CB 3.83Å; Y74-V129 HydrophobicContact CD1-CG2 4.41Å; Y74-V129 HydrophobicContact CE1-CG2 3.79Å
75L95.1Very high93Very high16 Ų1670.6 Ų70.68%0.08436%0.36CS..Hα-helixtrans-70.6-19.8-179.3-65.9175.6000113.2W72 D73 Y80 N135 K137 L138W72-L75 PolarHBondContact O-N 3.35Å; D73-L75 PolarHBondContact O-N 3.32Å; L75-Y80 HydrophobicContact CD2-CD1 4.26Å; L75-Y80 HydrophobicContact CD2-CD2 3.8Å; L75-Y80 HydrophobicContact CD2-CE1 3.91Å; L75-Y80 HydrophobicContact CD2-CE2 3.4Å; L75-Y80 VanDerWaalsContact CD2-CE2 3.4Å; L75-Y80 HydrophobicContact CD2-CG 4.21Å; L75-Y80 VanDerWaalsContact CD2-CZ 3.47Å; L75-Y80 WeakPolarHBondContact O-CD1 3.46Å; L75-N135 WeakPolarHBondContact CD1-OD1 3.33Å; L75-K137 HydrophobicContact CD1-CB 3.51Å; L75-L138 HydrophobicContact CD1-CB 3.95Å
76E94.6Very high94.2Very high112 Ų11275.2 Ų75.252%0.52338%0.383SS..Hα-helixtrans-91.9-10.8176.2-61.8-179.4177.500111.9D73 Y74 K137D73-E76 PolarHBondContact O-N 3.19Å; Y74-E76 PolarHBondContact O-N 2.87Å; E76-K137 IonicContact OE1-NZ 2.61Å; E76-K137 PolarHBondContact OE1-NZ 3.45Å
77S95.8Very high94.6Very high17 Ų1771.8 Ų71.812%0.11938%0.377CS..SBendtrans-69.3150.4-179.8750000112.3D73 Y74 E79 Y80 I81D73-S77 PolarHBondContact O-N 3.24Å; Y74-S77 VanDerWaalsContact O-CB 3.31Å; Y74-S77 WeakPolarHBondContact O-CB 3.25Å; Y74-S77 PolarHBondContact O-N 3.25Å; Y74-S77 VanDerWaalsContact O-N 3.13Å; Y74-S77 PolarHBondContact O-OG 2.98Å; S77-E79 PolarHBondContact O-N 3.3Å; S77-Y80 PolarHBondContact O-N 2.93Å; S77-Y80 PolarHBondContact OG-N 3.16Å; S77-I81 PolarHBondContact O-N 2.96Å
78E95.6Very high94.9Very high155 Ų15572.7 Ų72.772%0.72439%0.386SS*.Hα-helixtrans-61-30.7172.460.5-176.8178.100112.5Y80 I81 A82E78-Y80 VanDerWaalsContact C-N 3.34Å; E78-Y80 PolarHBondContact O-N 2.92Å; E78-I81 PolarHBondContact O-N 3.12Å; E78-A82 VanDerWaalsContact O-CB 3.32Å; E78-A82 WeakPolarHBondContact O-CB 3.37Å; E78-A82 PolarHBondContact O-N 2.95Å
79E95.1Very high95.3Very high72 Ų7265.8 Ų65.834%0.33636%0.356SS..Hα-helixtrans-58.8-45.9176-59.1174175.500110.9R66 Y67 Y74 S77 L83R66-E79 IonicContact NH1-OE1 3.16Å; R66-E79 PolarHBondContact NH1-OE1 3.28Å; R66-E79 VanDerWaalsContact NH1-OE1 3.16Å; Y67-E79 PolarHBondContact OH-OE2 3.24Å; Y74-E79 HydrophobicContact CE2-CB 4.37Å; S77-E79 PolarHBondContact O-N 3.3Å; E79-L83 WeakPolarHBondContact O-CB 3.49Å; E79-L83 VanDerWaalsContact O-CG 3.25Å; E79-L83 WeakPolarHBondContact O-CG 3.33Å; E79-L83 PolarHBondContact O-N 3.24Å
80Y95.9Very high95.6Very high14 Ų1461.3 Ų61.36%0.05533%0.329CS..Hα-helixtrans-67.3-44.9179.2-179.2-96.2000111.7Y74 L75 S77 E78 A82 L83 Y84 V89 Q141Y74-Y80 HydrophobicContact CD1-CD2 4.29Å; Y74-Y80 AromaticContact CE1-CD2 3.76Å; Y74-Y80 HydrophobicContact CE1-CD2 3.76Å; Y74-Y80 WeakPolarHBondContact O-CB 3.45Å; L75-Y80 HydrophobicContact CD2-CD1 4.26Å; L75-Y80 HydrophobicContact CD2-CD2 3.8Å; L75-Y80 HydrophobicContact CD2-CE1 3.91Å; L75-Y80 HydrophobicContact CD2-CE2 3.4Å; L75-Y80 VanDerWaalsContact CD2-CE2 3.4Å; L75-Y80 HydrophobicContact CD2-CG 4.21Å; L75-Y80 VanDerWaalsContact CD2-CZ 3.47Å; L75-Y80 WeakPolarHBondContact O-CD1 3.46Å; S77-Y80 PolarHBondContact O-N 2.93Å; S77-Y80 PolarHBondContact OG-N 3.16Å; E78-Y80 VanDerWaalsContact C-N 3.34Å; E78-Y80 PolarHBondContact O-N 2.92Å; Y80-A82 VanDerWaalsContact C-N 3.33Å; Y80-A82 PolarHBondContact O-N 3.25Å; Y80-L83 PolarHBondContact O-N 3.15Å; Y80-Y84 AromaticContact CD2-CD2 3.44Å; Y80-Y84 HydrophobicContact CD2-CD2 3.44Å; Y80-Y84 VanDerWaalsContact CD2-CD2 3.44Å; Y80-Y84 HydrophobicContact CD2-CE2 4Å; Y80-Y84 HydrophobicContact CD2-CG 4.24Å; Y80-Y84 AromaticContact CE2-CD2 3.35Å; Y80-Y84 HydrophobicContact CE2-CD2 3.35Å; Y80-Y84 AromaticContact CE2-CE2 3.9Å; Y80-Y84 HydrophobicContact CE2-CE2 3.9Å; Y80-Y84 AromaticContact CE2-CG 3.78Å; Y80-Y84 HydrophobicContact CE2-CG 3.78Å; Y80-Y84 HydrophobicContact CG-CD2 4.21Å; Y80-Y84 WeakPolarHBondContact O-CB 3.42Å; Y80-Y84 PolarHBondContact O-N 2.9Å; Y80-V89 HydrophobicContact CE2-CG2 3.83Å; Y80-V89 VanDerWaalsContact OH-CG2 3.32Å; Y80-V89 WeakPolarHBondContact OH-CG2 3.32Å; Y80-Q141 PolarHBondContact OH-NE2 2.83Å
81I96.1Very high95.7Very high100 Ų10056.9 Ų56.951%0.51332%0.319SS..Hα-helixtrans-64.1-39.7-179.4-62.3167.9000110.7S77 E78 G85S77-I81 PolarHBondContact O-N 2.96Å; E78-I81 PolarHBondContact O-N 3.12Å; I81-G85 WeakPolarHBondContact O-CA 3.46Å; I81-G85 PolarHBondContact O-N 3.34Å
82A96.2Very high95.7Very high90 Ų9062.1 Ų62.174%0.74435%0.347SS*.Hα-helixtrans-66-36.6176.900000112.7E78 Y80E78-A82 VanDerWaalsContact O-CB 3.32Å; E78-A82 WeakPolarHBondContact O-CB 3.37Å; E78-A82 PolarHBondContact O-N 2.95Å; Y80-A82 VanDerWaalsContact C-N 3.33Å; Y80-A82 PolarHBondContact O-N 3.25Å
83L95.8Very high95.7Very high115 Ų11560.7 Ų60.760%0.60234%0.342SS*.Hα-helixtrans-80.8-44.4-177.9-70.9173.6000113.5E79 Y80E79-L83 WeakPolarHBondContact O-CB 3.49Å; E79-L83 VanDerWaalsContact O-CG 3.25Å; E79-L83 WeakPolarHBondContact O-CG 3.33Å; E79-L83 PolarHBondContact O-N 3.24Å; Y80-L83 PolarHBondContact O-N 3.15Å
84Y95.9Very high95.8Very high13 Ų1368.4 Ų68.45%0.05137%0.368CS..Hα-helixtrans-108.2-26.2-170.7-71.4-80.4000113.6Y80 T86 S87 V89 R125 D126Y80-Y84 AromaticContact CD2-CD2 3.44Å; Y80-Y84 HydrophobicContact CD2-CD2 3.44Å; Y80-Y84 VanDerWaalsContact CD2-CD2 3.44Å; Y80-Y84 HydrophobicContact CD2-CE2 4Å; Y80-Y84 HydrophobicContact CD2-CG 4.24Å; Y80-Y84 AromaticContact CE2-CD2 3.35Å; Y80-Y84 HydrophobicContact CE2-CD2 3.35Å; Y80-Y84 AromaticContact CE2-CE2 3.9Å; Y80-Y84 HydrophobicContact CE2-CE2 3.9Å; Y80-Y84 AromaticContact CE2-CG 3.78Å; Y80-Y84 HydrophobicContact CE2-CG 3.78Å; Y80-Y84 HydrophobicContact CG-CD2 4.21Å; Y80-Y84 WeakPolarHBondContact O-CB 3.42Å; Y80-Y84 PolarHBondContact O-N 2.9Å; Y84-T86 PolarHBondContact O-N 3.4Å; Y84-S87 PolarHBondContact O-N 3.34Å; Y84-V89 HydrophobicContact CD1-CB 4.46Å; Y84-V89 HydrophobicContact CD1-CG2 4.3Å; Y84-V89 HydrophobicContact CE1-CB 3.99Å; Y84-V89 HydrophobicContact CE1-CG1 3.86Å; Y84-V89 HydrophobicContact CE1-CG2 4.05Å; Y84-V89 WeakPolarHBondContact CE1-O 3.17Å; Y84-R125 PolarHBondContact OH-NE 3.01Å; Y84-R125 PolarHBondContact OH-NH2 2.88Å; Y84-D126 WeakPolarHBondContact CE2-OD2 3.4Å; Y84-D126 VanDerWaalsContact CZ-OD2 3.29Å; Y84-D126 PolarHBondContact OH-OD2 3.09Å
85G94.4Very high95.8Very high37 Ų3771 Ų7138%0.38138%0.377SS..THydrogen-bonded Turntrans59.7-126.9-171.800000111.6I81I81-G85 WeakPolarHBondContact O-CA 3.46Å; I81-G85 PolarHBondContact O-N 3.34Å
86T94.7Very high95.8Very high151 Ų15176.3 Ų76.393%0.92641%0.406SS*.THydrogen-bonded Turntrans-95.2-6.2179.455.10000113.4Y84Y84-T86 PolarHBondContact O-N 3.4Å
87S95.6Very high95.8Very high49 Ų4974.5 Ų74.534%0.34340%0.397SS..SBendtrans-79.9149-176.1-61.20000111.2Y84 S91Y84-S87 PolarHBondContact O-N 3.34Å; S87-S91 WeakPolarHBondContact CB-OG 3.41Å
88P96.9Very high95.9Very high44 Ų4483.4 Ų83.429%0.28643%0.434SS..  trans-66.1153.417529-35000110.9W90 S91 Q141P88-W90 HydrophobicContact CG-CZ2 4.36Å; P88-W90 PolarHBondContact O-N 2.81Å; P88-S91 WeakPolarHBondContact O-CB 3.14Å; P88-S91 PolarHBondContact O-N 3.43Å; P88-S91 PolarHBondContact O-OG 2.91Å; P88-S91 VanDerWaalsContact O-OG 3.12Å; P88-Q141 HydrophobicContact CB-CB 4.06Å; P88-Q141 HydrophobicContact CB-CG 4.35Å
89V97.3Very high95.9Very high0 Ų079 Ų790%043%0.43CS..THydrogen-bonded Turntrans-52.9-30.3-174.2169.50000114Y80 Y84 P122 R125 L138 Q141Y80-V89 HydrophobicContact CE2-CG2 3.83Å; Y80-V89 VanDerWaalsContact OH-CG2 3.32Å; Y80-V89 WeakPolarHBondContact OH-CG2 3.32Å; Y84-V89 HydrophobicContact CD1-CB 4.46Å; Y84-V89 HydrophobicContact CD1-CG2 4.3Å; Y84-V89 HydrophobicContact CE1-CB 3.99Å; Y84-V89 HydrophobicContact CE1-CG1 3.86Å; Y84-V89 HydrophobicContact CE1-CG2 4.05Å; Y84-V89 WeakPolarHBondContact CE1-O 3.17Å; V89-P122 HydrophobicContact CG1-CB 3.86Å; V89-R125 PolarHBondContact O-NH2 3.25Å; V89-L138 HydrophobicContact CG2-CD1 4.15Å; V89-Q141 VanDerWaalsContact CG2-OE1 3.3Å
90W96.5Very high95.9Very high45 Ų4579.2 Ų79.217%0.1745%0.451CS..THydrogen-bonded Turntrans-93.70.6-176.357.8-93.1000114.7P88 D92 Y93 P122 Q141 F142 Y151 T156P88-W90 HydrophobicContact CG-CZ2 4.36Å; P88-W90 PolarHBondContact O-N 2.81Å; W90-D92 PolarHBondContact O-N 3.29Å; W90-Y93 WeakPolarHBondContact O-CB 3.04Å; W90-Y93 PolarHBondContact O-N 3.16Å; W90-P122 HydrophobicContact CB-CB 4.06Å; W90-P122 HydrophobicContact CB-CG 3.73Å; W90-Q141 PolarHBondContact NE1-O 3.21Å; W90-F142 AromaticContact CD1-CD1 3.97Å; W90-F142 AromaticContact CD1-CE1 3.62Å; W90-F142 HydrophobicContact CG-CE1 4.38Å; W90-Y151 HydrophobicContact CZ2-CD2 4.05Å; W90-Y151 AromaticContact CZ2-CE2 3.89Å; W90-Y151 HydrophobicContact CZ2-CE2 3.89Å; W90-T156 HydrophobicContact CD2-CG2 4.21Å; W90-T156 HydrophobicContact CG-CG2 4.3Å
91S96.4Very high95.9Very high46 Ų4685.1 Ų85.132%0.32248%0.483SS..THydrogen-bonded Turntrans-58.9-44.8-17661.40000113.2S87 P88 Y93S87-S91 WeakPolarHBondContact CB-OG 3.41Å; P88-S91 WeakPolarHBondContact O-CB 3.14Å; P88-S91 PolarHBondContact O-N 3.43Å; P88-S91 PolarHBondContact O-OG 2.91Å; P88-S91 VanDerWaalsContact O-OG 3.12Å; S91-Y93 PolarHBondContact O-N 3.22Å
92D94.6Very high95.9Very high111 Ų11182.7 Ų82.759%0.59447%0.473SS*.THydrogen-bonded Turntrans-89.66.6-171.2-59.5-9.7000111.9W90W90-D92 PolarHBondContact O-N 3.29Å
93Y96.6Very high95.9Very high32 Ų3281.3 Ų81.313%0.12546%0.457CS..  trans-91.8124.1-176.6-176.5-106.9000112.3W90 S91 R95 R107 N119 P120 P122 G157W90-Y93 WeakPolarHBondContact O-CB 3.04Å; W90-Y93 PolarHBondContact O-N 3.16Å; S91-Y93 PolarHBondContact O-N 3.22Å; Y93-R95 HydrophobicContact CE1-CB 4.21Å; Y93-R107 PolarHBondContact OH-NH2 3.35Å; Y93-N119 WeakPolarHBondContact CE2-OD1 3.4Å; Y93-P120 WeakPolarHBondContact CE2-O 3.34Å; Y93-P120 PolarHBondContact OH-O 3.24Å; Y93-P122 HydrophobicContact CD1-CG 3.82Å; Y93-P122 HydrophobicContact CD2-CG 4.14Å; Y93-P122 HydrophobicContact CG-CG 3.56Å; Y93-G157 WeakPolarHBondContact CE1-O 3.49Å
94R96.2Very high95.9Very high212 Ų21282.6 Ų82.680%0.846%0.46SS*.  trans-123.9128172.8-169.9173.4179.7140.1-0.4111.5N119R94-N119 PolarHBondContact O-ND2 3.41Å; R94-N119 VanDerWaalsContact O-ND2 3.13Å
95R95.7Very high95.9Very high60 Ų6089.7 Ų89.723%0.22649%0.491CS..  trans-88.1130.8-179.4-172.7177.7174.5-157.70.6112Y93 H97 K105Y93-R95 HydrophobicContact CE1-CB 4.21Å; R95-H97 PolarHBondContact O-N 3.23Å; R95-H97 PolarHBondContact O-ND1 3.36Å; R95-K105 PolarHBondContact NH1-O 2.88Å
96N95.8Very high96Very high128 Ų12888.5 Ų88.568%0.68448%0.476SS*.  trans-77.1120.4171.9-59.5-19.1000109.9N119N96-N119 PolarHBondContact ND2-ND2 3.02Å
97H95.2Very high96.1Very high74 Ų7484.3 Ų84.334%0.34344%0.443SS..  trans-148.8161.8176.659.5-81.3000109.8R95 P102R95-H97 PolarHBondContact O-N 3.23Å; R95-H97 PolarHBondContact O-ND1 3.36Å; H97-P102 WeakPolarHBondContact CD2-CA 3.36Å
98K96.5Very high96.2Very high203 Ų20390.5 Ų90.588%0.88346%0.464SS*.SBendtrans-82.9132.5-179.3-175.1178.9-179.7-178.50110.3
99G96.1Very high96.2Very high62 Ų6290.4 Ų90.464%0.63946%0.463SS*.SBendtrans79-174.1177.800000113.3
100G96.1Very high96.1Very high77 Ų7790.5 Ų90.579%0.79446%0.464SS*.SBendtrans-84-20.8-178.900000114.8
101I95.8Very high96.1Very high138 Ų13892.1 Ų92.171%0.70848%0.475SS*.SBendtrans-103.9120.3-178.2-58.9175.4000108.9
102P96.5Very high96.1Very high49 Ų4998.8 Ų98.832%0.31849%0.493SS..PPolyproline II helixtrans-70.3154.4176.928.5-34000111.8H97 Q104H97-P102 WeakPolarHBondContact CD2-CA 3.36Å; P102-Q104 PolarHBondContact O-N 3.31Å
103P96.4Very high96Very high61 Ų6196.5 Ų96.540%0.39650%0.495SS..PPolyproline II helixtrans-63.3138.4170.427.6-33.5000109.9K105P103-K105 PolarHBondContact O-N 3.16Å
104Q94.8Very high95.8Very high143 Ų143103 Ų10367%0.66853%0.532SS*.SBendtrans-61.6-17.3-175.9-64.3-57.7-49.300114.2P102 T154P102-Q104 PolarHBondContact O-N 3.31Å; Q104-T154 WeakPolarHBondContact O-CG2 3.46Å
105K95.9Very high95.7Very high162 Ų162101.1 Ų101.170%0.70453%0.53SS*.SBendtrans-118.5139.9173.4-66-175.8178.7-179.80110.4R95 P103R95-K105 PolarHBondContact NH1-O 2.88Å; P103-K105 PolarHBondContact O-N 3.16Å
106T96.8Very high95.7Very high11 Ų11103.3 Ų103.37%0.06755%0.545CS..  trans-76.9168.4169.167.90000111.5S153 V158 Q160T106-S153 WeakPolarHBondContact CG2-O 3.17Å; T106-V158 VanDerWaalsContact CB-O 3.24Å; T106-V158 WeakPolarHBondContact CB-O 3.18Å; T106-V158 WeakPolarHBondContact CG2-O 2.93Å; T106-V158 PolarHBondContact OG1-O 3.42Å; T106-Q160 WeakPolarHBondContact O-CG 3.41Å; T106-Q160 PolarHBondContact OG1-NE2 2.64Å
107R96Very high95.5Very high64 Ų6499 Ų9924%0.24253%0.525CS..  trans-60151.8175.963.7-175.8161.8-153.6-10.5111Y93 C110 C117 N119 C121 C159 Q160Y93-R107 PolarHBondContact OH-NH2 3.35Å; R107-C110 PolarHBondContact NE-SG 3.36Å; R107-C110 PolarHBondContact NH2-SG 3.14Å; R107-C117 VanDerWaalsContact CZ-SG 3.54Å; R107-C117 PolarHBondContact NH1-SG 2.46Å; R107-N119 PolarHBondContact NH1-O 2.89Å; R107-N119 PolarHBondContact NH2-O 2.96Å; R107-C121 VanDerWaalsContact NH2-N 3.17Å; R107-C159 HydrophobicContact CG-CB 4.07Å; R107-C159 WeakPolarHBondContact O-CA 3.38Å; R107-C159 WeakPolarHBondContact O-CB 3.26Å; R107-Q160 PolarHBondContact O-N 3.39Å
108K97.2Very high95.5Very high178 Ų17899.8 Ų99.877%0.77455%0.553SS**SBendtrans-58.4-55.5-179.9-65.2-175.4179.4-178.50112.4Q160 K161K108-Q160 PolarHBondContact O-N 3.16Å; K108-K161 PolarHBondContact O-N 3.49Å
109T97.4Very high95.5Very high42 Ų4292.5 Ų92.526%0.25852%0.523SS..  trans-141.9150.5-179.960.70000110.9I111 K161T109-I111 PolarHBondContact OG1-O 3.23Å; T109-K161 HydrophobicContact CG2-CB 3.78Å; T109-K161 HydrophobicContact CG2-CD 3.75Å; T109-K161 HydrophobicContact CG2-CG 4.36Å
110C96.6Very high95.5Very high3 Ų390.7 Ų90.72%0.0250%0.5CS..SBendtrans-88.2-37170.4-61.40000112.4R107 C117 P120 C121 C124 C159R107-C110 PolarHBondContact NE-SG 3.36Å; R107-C110 PolarHBondContact NH2-SG 3.14Å; C110-C117 VanDerWaalsContact CB-SG 3.6Å; C110-C117 PolarHBondContact O-N 3.14Å; C110-C117 VanDerWaalsContact O-N 3.09Å; C110-C117 PolarHBondContact O-SG 2.82Å; C110-C117 VanDerWaalsContact O-SG 3.35Å; C110-P120 HydrophobicContact CB-CB 4.48Å; C110-C121 WeakPolarHBondContact SG-CB 3.46Å; C110-C121 PolarHBondContact SG-N 2.99Å; C110-C121 VanDerWaalsContact SG-N 3.38Å; C110-C124 HydrophobicContact CB-CB 3.72Å; C110-C124 VanDerWaalsContact CB-SG 3.54Å; C110-C124 PolarHBondContact SG-SG 3.25Å; C110-C159 VanDerWaalsContact SG-CB 3.59Å
111I96.1Very high95.6Very high78 Ų7887 Ų8740%0.446%0.463SS..EExtended strand (participates in β ladder)trans-99.9127.6-177.1-53.6171.9000107.6T109 G113 I116T109-I111 PolarHBondContact OG1-O 3.23Å; I111-G113 VanDerWaalsContact CG2-O 3.22Å; I111-G113 WeakPolarHBondContact CG2-O 3.36Å; I111-I116 HydrophobicContact CG1-CG1 4.46Å
112R95.6Very high95.6Very high187 Ų18780.5 Ų80.571%0.70643%0.429SS*.EExtended strand (participates in β ladder)trans-129.597.9178.2-64.2-178.7-174.1161.60.2108.4D114 K115R112-D114 PolarHBondContact O-N 2.91Å; R112-K115 PolarHBondContact N-O 3.23Å; R112-K115 PolarHBondContact O-N 3.4Å
113G92.6Very high95.6Very high63 Ų6378.5 Ų78.565%0.64942%0.416SS*.THydrogen-bonded Turntrans59.9-130.5-165.500000109.5I111 K115I111-G113 VanDerWaalsContact CG2-O 3.22Å; I111-G113 WeakPolarHBondContact CG2-O 3.36Å; G113-K115 VanDerWaalsContact C-N 3.3Å; G113-K115 PolarHBondContact O-N 3.33Å
114D91.6Very high95.6Very high168 Ų16876.1 Ų76.190%0.89840%0.4SS*.THydrogen-bonded Turntrans-84.2-3.8-179.2-50.3-42.1000113.6R112R112-D114 PolarHBondContact O-N 2.91Å
115K94.5Very high95.6Very high173 Ų17373.7 Ų73.775%0.75239%0.385SS*.EExtended strand (participates in β ladder)trans-96.4122.3-175.4-63.8-178.9-176.9178.40111.3R112 G113R112-K115 PolarHBondContact N-O 3.23Å; R112-K115 PolarHBondContact O-N 3.4Å; G113-K115 VanDerWaalsContact C-N 3.3Å; G113-K115 PolarHBondContact O-N 3.33Å
116I95.3Very high95.5Very high105 Ų10567.7 Ų67.754%0.53836%0.361SS..EExtended strand (participates in β ladder)trans-91.3135.5171.7-52.7177.5000108.8I111 P120I111-I116 HydrophobicContact CG1-CG1 4.46Å; I116-P120 HydrophobicContact CG2-CB 3.8Å; I116-P120 HydrophobicContact CG2-CG 3.98Å
117C93.3Very high95.2Very high39 Ų3970.5 Ų70.526%0.26438%0.381SS..PPolyproline II helixtrans-66.6150173.861.80000112.1R107 C110 N119 P120R107-C117 VanDerWaalsContact CZ-SG 3.54Å; R107-C117 PolarHBondContact NH1-SG 2.46Å; C110-C117 VanDerWaalsContact CB-SG 3.6Å; C110-C117 PolarHBondContact O-N 3.14Å; C110-C117 VanDerWaalsContact O-N 3.09Å; C110-C117 PolarHBondContact O-SG 2.82Å; C110-C117 VanDerWaalsContact O-SG 3.35Å; C117-N119 PolarHBondContact O-N 3.35Å; C117-P120 VanDerWaalsContact O-CD 3.27Å; C117-P120 WeakPolarHBondContact O-CD 3.44Å; C117-P120 VanDerWaalsContact SG-CA 3.56Å
118G94.6Very high95.1Very high90 Ų9069.1 Ų69.193%0.92838%0.378SS*.SBendtrans-60.6-32.6-171.500000116.8P120G118-P120 WeakPolarHBondContact O-CD 3.49Å
119N95.9Very high95Very high49 Ų4961 Ų6126%0.26234%0.343SS..SBendtrans-117.281.3170.8-179.5-0.9000108.5Y93 R94 N96 R107 C117Y93-N119 WeakPolarHBondContact CE2-OD1 3.4Å; R94-N119 PolarHBondContact O-ND2 3.41Å; R94-N119 VanDerWaalsContact O-ND2 3.13Å; N96-N119 PolarHBondContact ND2-ND2 3.02Å; R107-N119 PolarHBondContact NH1-O 2.89Å; R107-N119 PolarHBondContact NH2-O 2.96Å; C117-N119 PolarHBondContact O-N 3.35Å
120P97Very high95Very high25 Ų2561.4 Ų61.416%0.16234%0.344CS..  trans-69.6168.3-17623.2-24.2000113Y93 C110 I116 C117 G118 C124 R125Y93-P120 WeakPolarHBondContact CE2-O 3.34Å; Y93-P120 PolarHBondContact OH-O 3.24Å; C110-P120 HydrophobicContact CB-CB 4.48Å; I116-P120 HydrophobicContact CG2-CB 3.8Å; I116-P120 HydrophobicContact CG2-CG 3.98Å; C117-P120 VanDerWaalsContact O-CD 3.27Å; C117-P120 WeakPolarHBondContact O-CD 3.44Å; C117-P120 VanDerWaalsContact SG-CA 3.56Å; G118-P120 WeakPolarHBondContact O-CD 3.49Å; P120-C124 HydrophobicContact CB-CB 4.18Å; P120-R125 HydrophobicContact CB-CB 4.34Å; P120-R125 HydrophobicContact CG-CB 3.84Å
121C97.1Very high95Very high0 Ų062.8 Ų62.80%035%0.35CS..  trans-74.3161.6179.584.20000111.2R107 C110 I123 C124 R125R107-C121 VanDerWaalsContact NH2-N 3.17Å; C110-C121 WeakPolarHBondContact SG-CB 3.46Å; C110-C121 PolarHBondContact SG-N 2.99Å; C110-C121 VanDerWaalsContact SG-N 3.38Å; C121-I123 PolarHBondContact O-N 3.38Å; C121-I123 VanDerWaalsContact O-N 3.12Å; C121-C124 HydrophobicContact CB-CB 4.07Å; C121-C124 WeakPolarHBondContact CB-SG 3.2Å; C121-C124 CarbonylContact O-C 3.39Å; C121-C124 PolarHBondContact O-N 3.32Å; C121-C124 WeakPolarHBondContact SG-CB 3.42Å; C121-C124 PolarHBondContact SG-N 2.96Å; C121-C124 CovalentContact SG-SG 2.08Å; C121-C124 PolarHBondContact SG-SG 3.13Å; C121-R125 WeakPolarHBondContact O-CG 3.42Å; C121-R125 PolarHBondContact O-N 3.25Å
122P96.6Very high95Very high0 Ų060.8 Ų60.80%034%0.34CS..Hα-helixtrans-52.7-37.3179.6-24.731.1000114.2V89 W90 Y93 R125V89-P122 HydrophobicContact CG1-CB 3.86Å; W90-P122 HydrophobicContact CB-CB 4.06Å; W90-P122 HydrophobicContact CB-CG 3.73Å; Y93-P122 HydrophobicContact CD1-CG 3.82Å; Y93-P122 HydrophobicContact CD2-CG 4.14Å; Y93-P122 HydrophobicContact CG-CG 3.56Å; P122-R125 WeakPolarHBondContact O-CG 3.29Å
123I96.8Very high95.1Very high8 Ų855.7 Ų55.74%0.04132%0.322CS..Hα-helixtrans-79.9-29.5177.5-58.5174.5000111.7C121 D126 V129 I131 F142 V158 Q162 L166C121-I123 PolarHBondContact O-N 3.38Å; C121-I123 VanDerWaalsContact O-N 3.12Å; I123-D126 VanDerWaalsContact O-O 3.12Å; I123-V129 HydrophobicContact CG2-CG1 4.4Å; I123-I131 HydrophobicContact CD1-CD1 4.02Å; I123-I131 HydrophobicContact CD1-CG1 4.31Å; I123-I131 HydrophobicContact CG2-CD1 4.15Å; I123-I131 HydrophobicContact CG2-CG1 4.08Å; I123-F142 HydrophobicContact CD1-CE1 4.11Å; I123-F142 HydrophobicContact CD1-CE2 4.24Å; I123-F142 HydrophobicContact CD1-CZ 3.66Å; I123-F142 HydrophobicContact CG1-CZ 3.87Å; I123-V158 HydrophobicContact CD1-CG1 3.81Å; I123-V158 HydrophobicContact CG1-CG1 4.22Å; I123-Q162 HydrophobicContact CD1-CB 4.41Å; I123-Q162 HydrophobicContact CG2-CG 4.45Å; I123-L166 HydrophobicContact CD1-CD1 3.81Å; I123-L166 HydrophobicContact CD1-CD2 4.19Å; I123-L166 HydrophobicContact CD1-CG 4.12Å
124C95.9Very high95.3Very high10 Ų1056.6 Ų56.67%0.06831%0.309CS..Hα-helixtrans-89.5-17.5-172.4-45.90000112.8C110 P120 C121C110-C124 HydrophobicContact CB-CB 3.72Å; C110-C124 VanDerWaalsContact CB-SG 3.54Å; C110-C124 PolarHBondContact SG-SG 3.25Å; P120-C124 HydrophobicContact CB-CB 4.18Å; C121-C124 HydrophobicContact CB-CB 4.07Å; C121-C124 WeakPolarHBondContact CB-SG 3.2Å; C121-C124 CarbonylContact O-C 3.39Å; C121-C124 PolarHBondContact O-N 3.32Å; C121-C124 WeakPolarHBondContact SG-CB 3.42Å; C121-C124 PolarHBondContact SG-N 2.96Å; C121-C124 CovalentContact SG-SG 2.08Å; C121-C124 PolarHBondContact SG-SG 3.13Å
125R94.6Very high95.6Very high92 Ų9248.8 Ų48.835%0.34727%0.267SS..Hα-helixtrans-74.9-34.9177.657.8162.7-176.1-159.46.6111.4Y84 V89 P120 C121 P122Y84-R125 PolarHBondContact OH-NE 3.01Å; Y84-R125 PolarHBondContact OH-NH2 2.88Å; V89-R125 PolarHBondContact O-NH2 3.25Å; P120-R125 HydrophobicContact CB-CB 4.34Å; P120-R125 HydrophobicContact CG-CB 3.84Å; C121-R125 WeakPolarHBondContact O-CG 3.42Å; C121-R125 PolarHBondContact O-N 3.25Å; P122-R125 WeakPolarHBondContact O-CG 3.29Å
126D93.8Very high95.7Very high37 Ų3742.5 Ų42.520%0.19824%0.243CC..  trans-114.2111.6-174.8-64.36.3000108.5Y84 I123 N128 V129Y84-D126 WeakPolarHBondContact CE2-OD2 3.4Å; Y84-D126 VanDerWaalsContact CZ-OD2 3.29Å; Y84-D126 PolarHBondContact OH-OD2 3.09Å; I123-D126 VanDerWaalsContact O-O 3.12Å; D126-N128 PolarHBondContact O-N 3.13Å; D126-V129 HydrophobicContact CB-CG2 3.9Å; D126-V129 PolarHBondContact O-N 3.43Å
127S91.5Very high95.7Very high70 Ų7042.6 Ų42.649%0.4924%0.24SC..THydrogen-bonded Turntrans-62.8-25.1-179.848.40000113.5V129S127-V129 VanDerWaalsContact C-N 3.29Å; S127-V129 PolarHBondContact O-N 3.38Å
128N93.9Very high95.9Very high34 Ų3440.8 Ų40.818%0.18223%0.228CC..THydrogen-bonded Turntrans-76.3-19.3-177.3-59.4-7.8000112Y67 Y74 D126 I130Y67-N128 HydrophobicContact CD2-CB 4.17Å; Y74-N128 HydrophobicContact CD1-CB 3.75Å; Y74-N128 HydrophobicContact CD2-CB 3.78Å; Y74-N128 HydrophobicContact CE1-CB 3.63Å; Y74-N128 HydrophobicContact CE2-CB 3.66Å; Y74-N128 HydrophobicContact CG-CB 3.83Å; D126-N128 PolarHBondContact O-N 3.13Å; N128-I130 VanDerWaalsContact C-N 3.34Å; N128-I130 PolarHBondContact O-N 3.1Å
129V95.1Very high96.1Very high8 Ų836.5 Ų36.55%0.04818%0.183CC..  trans-81.582.7175.8-176.10000109.3Y74 I123 D126 S127 L138Y74-V129 HydrophobicContact CD1-CG2 4.41Å; Y74-V129 HydrophobicContact CE1-CG2 3.79Å; I123-V129 HydrophobicContact CG2-CG1 4.4Å; D126-V129 HydrophobicContact CB-CG2 3.9Å; D126-V129 PolarHBondContact O-N 3.43Å; S127-V129 VanDerWaalsContact C-N 3.29Å; S127-V129 PolarHBondContact O-N 3.38Å; V129-L138 HydrophobicContact CG1-CD1 3.7Å; V129-L138 HydrophobicContact CG1-CD2 3.83Å; V129-L138 HydrophobicContact CG1-CG 4.43Å
130I95.7Very high96.2Very high51 Ų5140 Ų4026%0.26220%0.198SC..  trans-93.8126.3-179.1-57.6168.9000109.7P71 N128 N132P71-I130 HydrophobicContact CB-CB 4.02Å; P71-I130 HydrophobicContact CG-CB 4.03Å; P71-I130 HydrophobicContact CG-CD1 4.49Å; P71-I130 HydrophobicContact CG-CG2 4.05Å; N128-I130 VanDerWaalsContact C-N 3.34Å; N128-I130 PolarHBondContact O-N 3.1Å; I130-N132 PolarHBondContact O-N 3.48Å
131I97.2Very high96.2Very high32 Ų3240.8 Ų40.816%0.16420%0.2CC..  trans-73.9114.5174.3-57.4170.7000108.8I123 L139 Q162 Q165 L166 A169I123-I131 HydrophobicContact CD1-CD1 4.02Å; I123-I131 HydrophobicContact CD1-CG1 4.31Å; I123-I131 HydrophobicContact CG2-CD1 4.15Å; I123-I131 HydrophobicContact CG2-CG1 4.08Å; I131-L139 HydrophobicContact CG2-CD2 4.39Å; I131-Q162 HydrophobicContact CD1-CB 4.3Å; I131-Q165 HydrophobicContact CD1-CB 3.96Å; I131-L166 HydrophobicContact CD1-CD2 3.86Å; I131-L166 HydrophobicContact CD1-CG 3.79Å; I131-L166 HydrophobicContact CG1-CD2 3.93Å; I131-L166 HydrophobicContact CG1-CG 4.43Å; I131-L166 HydrophobicContact CG2-CD2 4.02Å; I131-A169 HydrophobicContact CG2-CB 3.68Å
132N97Very high96.2Very high35 Ų3540.8 Ų40.819%0.18720%0.2CC..  trans-137.6145.5172.8-169.8-31.9000108.7P71 I130 Q134 N135P71-N132 HydrophobicContact CG-CB 4.18Å; I130-N132 PolarHBondContact O-N 3.48Å; N132-Q134 PolarHBondContact O-N 3.4Å; N132-Q134 PolarHBondContact OD1-N 3.25Å; N132-Q134 VanDerWaalsContact OD1-N 3.09Å; N132-N135 HydrophobicContact CB-CB 4.47Å; N132-N135 PolarHBondContact O-N 3.04Å; N132-N135 VanDerWaalsContact O-N 3.15Å
133Y97.9Very high96.3Very high80 Ų8041.8 Ų41.831%0.31421%0.205SC..THydrogen-bonded Turntrans-64-28177.968.7-88.3000112.4N135 A169 T172 A173 H176 L178Y133-N135 VanDerWaalsContact C-N 3.27Å; Y133-N135 PolarHBondContact O-N 2.99Å; Y133-A169 WeakPolarHBondContact CB-O 3.43Å; Y133-T172 HydrophobicContact CD1-CG2 4.27Å; Y133-T172 HydrophobicContact CD2-CG2 4.23Å; Y133-T172 HydrophobicContact CG-CG2 3.92Å; Y133-A173 WeakPolarHBondContact O-CB 3.32Å; Y133-H176 AromaticContact CD2-CD2 3.85Å; Y133-H176 AromaticContact CE2-CD2 3.87Å; Y133-L178 HydrophobicContact CD2-CD1 4.06Å; Y133-L178 HydrophobicContact CE2-CD1 4.49Å
134Q96.9Very high96.2Very high82 Ų8242 Ų4238%0.38321%0.207SC..THydrogen-bonded Turntrans-72.8-21.4176.8-62.2178.9-18.300112.4W72 N132 V136W72-Q134 HydrophobicContact CE3-CB 3.94Å; W72-Q134 HydrophobicContact CZ3-CB 3.69Å; W72-Q134 HydrophobicContact CZ3-CG 4.42Å; N132-Q134 PolarHBondContact O-N 3.4Å; N132-Q134 PolarHBondContact OD1-N 3.25Å; N132-Q134 VanDerWaalsContact OD1-N 3.09Å; Q134-V136 VanDerWaalsContact C-N 3.3Å; Q134-V136 PolarHBondContact O-N 3.4Å
135N96.6Very high96.2Very high4 Ų446.9 Ų46.92%0.02124%0.238CC..  trans-84.471.4-176.6-164.7-9.3000111.8P71 L75 N132 Y133 K137 L138 L139P71-N135 PolarHBondContact O-ND2 2.92Å; L75-N135 WeakPolarHBondContact CD1-OD1 3.33Å; N132-N135 HydrophobicContact CB-CB 4.47Å; N132-N135 PolarHBondContact O-N 3.04Å; N132-N135 VanDerWaalsContact O-N 3.15Å; Y133-N135 VanDerWaalsContact C-N 3.27Å; Y133-N135 PolarHBondContact O-N 2.99Å; N135-K137 VanDerWaalsContact C-N 3.31Å; N135-K137 PolarHBondContact O-N 2.85Å; N135-L138 HydrophobicContact CB-CB 4.31Å; N135-L138 PolarHBondContact O-N 2.96Å; N135-L138 PolarHBondContact OD1-N 3.31Å; N135-L139 WeakPolarHBondContact O-CG 3.44Å; N135-L139 PolarHBondContact O-N 3.3Å; N135-L139 VanDerWaalsContact O-N 3.14Å
136V96.8Very high96.2Very high41 Ų4149.8 Ų49.825%0.24826%0.261CS..Hα-helixtrans-57.8-41.9-177.1174.60000112Q134 L138 L139 Q140 L178 L179Q134-V136 VanDerWaalsContact C-N 3.3Å; Q134-V136 PolarHBondContact O-N 3.4Å; V136-L138 VanDerWaalsContact C-N 3.32Å; V136-L138 PolarHBondContact O-N 3.46Å; V136-L139 PolarHBondContact O-N 3.09Å; V136-Q140 WeakPolarHBondContact O-CB 3.32Å; V136-Q140 PolarHBondContact O-N 3.36Å; V136-L178 HydrophobicContact CG2-CB 3.91Å; V136-L179 HydrophobicContact CG1-CD2 3.76Å
137K96.4Very high96.2Very high108 Ų10852.6 Ų52.647%0.4728%0.279SS..Hα-helixtrans-59.4-40-179.8-70.3178.8178.2176.60112.1L75 E76 N135 Q141L75-K137 HydrophobicContact CD1-CB 3.51Å; E76-K137 IonicContact OE1-NZ 2.61Å; E76-K137 PolarHBondContact OE1-NZ 3.45Å; N135-K137 VanDerWaalsContact C-N 3.31Å; N135-K137 PolarHBondContact O-N 2.85Å; K137-Q141 WeakPolarHBondContact O-CG 2.89Å
138L97.4Very high96.4Very high1 Ų150.7 Ų50.71%0.00527%0.271CS..Hα-helixtrans-68.9-51.1174.6-176.162.2000111.2L75 V89 V129 N135 V136 Q140 Q141 F142L75-L138 HydrophobicContact CD1-CB 3.95Å; V89-L138 HydrophobicContact CG2-CD1 4.15Å; V129-L138 HydrophobicContact CG1-CD1 3.7Å; V129-L138 HydrophobicContact CG1-CD2 3.83Å; V129-L138 HydrophobicContact CG1-CG 4.43Å; N135-L138 HydrophobicContact CB-CB 4.31Å; N135-L138 PolarHBondContact O-N 2.96Å; N135-L138 PolarHBondContact OD1-N 3.31Å; V136-L138 VanDerWaalsContact C-N 3.32Å; V136-L138 PolarHBondContact O-N 3.46Å; L138-Q140 VanDerWaalsContact C-N 3.28Å; L138-Q140 PolarHBondContact O-N 3.29Å; L138-Q141 WeakPolarHBondContact O-CB 3.48Å; L138-Q141 PolarHBondContact O-N 3.15Å; L138-Q141 VanDerWaalsContact O-N 3.14Å; L138-F142 HydrophobicContact CD1-CE2 3.93Å; L138-F142 HydrophobicContact CG-CE2 4.15Å; L138-F142 WeakPolarHBondContact O-CD2 3.48Å
139L97.8Very high96.5Very high0 Ų054.2 Ų54.20%029%0.289CS..Hα-helixtrans-62.4-37-173.4-65.4-177.1000112.1I131 N135 V136 Q141 F142 L166 A169 I170 A173 L179I131-L139 HydrophobicContact CG2-CD2 4.39Å; N135-L139 WeakPolarHBondContact O-CG 3.44Å; N135-L139 PolarHBondContact O-N 3.3Å; N135-L139 VanDerWaalsContact O-N 3.14Å; V136-L139 PolarHBondContact O-N 3.09Å; L139-Q141 PolarHBondContact O-N 3.24Å; L139-F142 PolarHBondContact O-N 3.04Å; L139-L166 HydrophobicContact CD2-CD2 3.91Å; L139-A169 HydrophobicContact CD1-CB 4.37Å; L139-A169 HydrophobicContact CD2-CB 4.24Å; L139-I170 HydrophobicContact CB-CG1 4.18Å; L139-I170 HydrophobicContact CD1-CG1 4.18Å; L139-I170 HydrophobicContact CD2-CG1 3.97Å; L139-I170 HydrophobicContact CG-CG1 4.33Å; L139-A173 HydrophobicContact CD1-CB 4.08Å; L139-L179 HydrophobicContact CB-CD1 4.11Å; L139-L179 HydrophobicContact CD1-CD1 4.08Å
140Q97.2Very high96.6Very high122 Ų12255.4 Ų55.457%0.5730%0.296SS*.Hα-helixtrans-60-30.3178.3-168.3172.58.200112.6V136 L138 F142 I143V136-Q140 WeakPolarHBondContact O-CB 3.32Å; V136-Q140 PolarHBondContact O-N 3.36Å; L138-Q140 VanDerWaalsContact C-N 3.28Å; L138-Q140 PolarHBondContact O-N 3.29Å; Q140-F142 PolarHBondContact O-N 3.01Å; Q140-I143 PolarHBondContact O-N 3.49Å; Q140-I143 VanDerWaalsContact O-N 3.16Å; Q140-I143 VanDerWaalsContact O-O 3.14Å
141Q97.1Very high96.7Very high41 Ų4154.6 Ų54.619%0.19229%0.29CS..THydrogen-bonded Turntrans-66.8-22.4176.4-57.4177.811.700113.4Y80 P88 V89 W90 K137 L138 L139Y80-Q141 PolarHBondContact OH-NE2 2.83Å; P88-Q141 HydrophobicContact CB-CB 4.06Å; P88-Q141 HydrophobicContact CB-CG 4.35Å; V89-Q141 VanDerWaalsContact CG2-OE1 3.3Å; W90-Q141 PolarHBondContact NE1-O 3.21Å; K137-Q141 WeakPolarHBondContact O-CG 2.89Å; L138-Q141 WeakPolarHBondContact O-CB 3.48Å; L138-Q141 PolarHBondContact O-N 3.15Å; L138-Q141 VanDerWaalsContact O-N 3.14Å; L139-Q141 PolarHBondContact O-N 3.24Å
142F97.9Very high96.7Very high1 Ų157 Ų570%0.00430%0.303CS..THydrogen-bonded Turntrans-95.10.3178.4-64.7-81.6000112.7W90 I123 L138 L139 Q140 Y151 T156 V158 L166W90-F142 AromaticContact CD1-CD1 3.97Å; W90-F142 AromaticContact CD1-CE1 3.62Å; W90-F142 HydrophobicContact CG-CE1 4.38Å; I123-F142 HydrophobicContact CD1-CE1 4.11Å; I123-F142 HydrophobicContact CD1-CE2 4.24Å; I123-F142 HydrophobicContact CD1-CZ 3.66Å; I123-F142 HydrophobicContact CG1-CZ 3.87Å; L138-F142 HydrophobicContact CD1-CE2 3.93Å; L138-F142 HydrophobicContact CG-CE2 4.15Å; L138-F142 WeakPolarHBondContact O-CD2 3.48Å; L139-F142 PolarHBondContact O-N 3.04Å; Q140-F142 PolarHBondContact O-N 3.01Å; F142-Y151 WeakPolarHBondContact O-CD2 3.42Å; F142-Y151 PolarHBondContact O-N 2.97Å; F142-T156 HydrophobicContact CD1-CG2 3.92Å; F142-T156 HydrophobicContact CE1-CG2 4.4Å; F142-V158 HydrophobicContact CE1-CG1 3.93Å; F142-L166 HydrophobicContact CB-CD1 4.42Å; F142-L166 HydrophobicContact CD1-CD1 3.72Å; F142-L166 HydrophobicContact CD2-CD1 4.25Å; F142-L166 HydrophobicContact CD2-CD2 3.93Å; F142-L166 HydrophobicContact CE1-CD1 4.02Å; F142-L166 HydrophobicContact CE2-CD2 4.2Å; F142-L166 HydrophobicContact CG-CD1 3.86Å; F142-L166 HydrophobicContact CG-CD2 4.28Å; F142-L166 HydrophobicContact CZ-CD1 4.41Å
143I97.8Very high96.7Very high20 Ų2055.3 Ų55.310%0.10329%0.294CS..BIsolated β-bridgetrans-110.9141.6179.6-60.8169.5000108.8Q140 V150 I170 L179Q140-I143 PolarHBondContact O-N 3.49Å; Q140-I143 VanDerWaalsContact O-N 3.16Å; Q140-I143 VanDerWaalsContact O-O 3.14Å; I143-V150 HydrophobicContact CG1-CG2 4.35Å; I143-I170 HydrophobicContact CD1-CD1 4.17Å; I143-I170 HydrophobicContact CD1-CG1 4.31Å; I143-I170 HydrophobicContact CD1-CG2 4.03Å; I143-I170 HydrophobicContact CG1-CD1 4.05Å; I143-L179 HydrophobicContact CD1-CD1 3.89Å; I143-L179 HydrophobicContact CD1-CD2 4.4Å
144S96.4Very high96.7Very high13 Ų1354.1 Ų54.19%0.09130%0.295CS..  trans-68.3126.3170.655.30000111N146 T147 G148 I149 Y151S144-N146 PolarHBondContact O-N 2.95Å; S144-T147 WeakPolarHBondContact OG-CB 3.38Å; S144-G148 WeakPolarHBondContact O-CA 3.43Å; S144-G148 PolarHBondContact O-N 3.41Å; S144-G148 PolarHBondContact OG-N 2.82Å; S144-I149 PolarHBondContact N-O 3.2Å; S144-I149 PolarHBondContact OG-N 2.83Å; S144-I149 PolarHBondContact OG-O 3.24Å; S144-Y151 WeakPolarHBondContact CA-OH 3.21Å
145P94.8Very high96.6Very high112 Ų11257.1 Ų57.173%0.72730%0.303SS*.THydrogen-bonded Turntrans-65-31.5-178.124.7-33.7000112.3
146N94.3Very high96.6Very high153 Ų15357 Ų5782%0.81830%0.303SS*.THydrogen-bonded Turntrans-87.6-41.6-175.5-57.6-15000112.8S144S144-N146 PolarHBondContact O-N 2.95Å
147T95.1Very high96.6Very high96 Ų9655.5 Ų55.559%0.58930%0.295SS*.THydrogen-bonded Turntrans-99.3-18.1-172.4-35.40000112.3S144 I149S144-T147 WeakPolarHBondContact OG-CB 3.38Å; T147-I149 HydrophobicContact CG2-CB 4.5Å; T147-I149 HydrophobicContact CG2-CD1 3.42Å; T147-I149 VanDerWaalsContact CG2-CD1 3.42Å; T147-I149 HydrophobicContact CG2-CG1 3.71Å; T147-I149 PolarHBondContact O-N 3.45Å; T147-I149 VanDerWaalsContact O-N 3.15Å
148G94.8Very high96.7Very high30 Ų3050.4 Ų50.431%0.30927%0.273SS..  trans68.57.1-174.700000114.1S144 R174S144-G148 WeakPolarHBondContact O-CA 3.43Å; S144-G148 PolarHBondContact O-N 3.41Å; S144-G148 PolarHBondContact OG-N 2.82Å; G148-R174 PolarHBondContact O-NH2 3.31Å
149I96.4Very high96.7Very high109 Ų10950.4 Ų50.456%0.55927%0.273SS*.PPolyproline II helixtrans-84.2137.2177.2-60.8175.9000109.2S144 T147S144-I149 PolarHBondContact N-O 3.2Å; S144-I149 PolarHBondContact OG-N 2.83Å; S144-I149 PolarHBondContact OG-O 3.24Å; T147-I149 HydrophobicContact CG2-CB 4.5Å; T147-I149 HydrophobicContact CG2-CD1 3.42Å; T147-I149 VanDerWaalsContact CG2-CD1 3.42Å; T147-I149 HydrophobicContact CG2-CG1 3.71Å; T147-I149 PolarHBondContact O-N 3.45Å; T147-I149 VanDerWaalsContact O-N 3.15Å
150V97.9Very high96.8Very high33 Ų3353.4 Ų53.420%0.229%0.287CS..BIsolated β-bridgetrans-69.5133.8174.5-173.20000109.6I143 I170I143-V150 HydrophobicContact CG1-CG2 4.35Å; V150-I170 HydrophobicContact CG1-CD1 3.88Å; V150-I170 HydrophobicContact CG2-CD1 3.82Å; V150-I170 HydrophobicContact CG2-CG2 4.12Å
151Y97.8Very high96.8Very high33 Ų3353.3 Ų53.313%0.12929%0.285CS..PPolyproline II helixtrans-66.1140.3177-64-47.6000111.9W90 F142 S144 R155 T156 Q163W90-Y151 HydrophobicContact CZ2-CD2 4.05Å; W90-Y151 AromaticContact CZ2-CE2 3.89Å; W90-Y151 HydrophobicContact CZ2-CE2 3.89Å; F142-Y151 WeakPolarHBondContact O-CD2 3.42Å; F142-Y151 PolarHBondContact O-N 2.97Å; S144-Y151 WeakPolarHBondContact CA-OH 3.21Å; Y151-R155 PolarHBondContact OH-NH2 3.4Å; Y151-T156 HydrophobicContact CD2-CG2 4.25Å; Y151-T156 HydrophobicContact CG-CG2 4.33Å; Y151-Q163 PolarHBondContact O-NE2 3.14Å
152D97.3Very high96.8Very high82 Ų8252.8 Ų52.844%0.43928%0.282SS..PPolyproline II helixtrans-68.6152171-17831.6000111T154 R155 T156D152-T154 PolarHBondContact O-N 3.36Å; D152-T154 VanDerWaalsContact O-N 3.16Å; D152-T154 PolarHBondContact OD2-OG1 3.09Å; D152-R155 WeakPolarHBondContact O-CB 3.47Å; D152-R155 PolarHBondContact O-N 2.87Å; D152-T156 PolarHBondContact O-N 3.12Å; D152-T156 PolarHBondContact O-OG1 2.89Å
153S97.1Very high96.8Very high1 Ų153.3 Ų53.31%0.00729%0.285CS..Hα-helixtrans-53.4-29.1175.361.70000114T106 R155 G157 Q160T106-S153 WeakPolarHBondContact CG2-O 3.17Å; S153-R155 VanDerWaalsContact C-N 3.32Å; S153-G157 VanDerWaalsContact O-CA 3.26Å; S153-G157 WeakPolarHBondContact O-CA 3.35Å; S153-G157 PolarHBondContact O-N 3.22Å; S153-Q160 PolarHBondContact OG-NE2 2.83Å
154T96.2Very high96.9Very high54 Ų5459.8 Ų59.833%0.33131%0.312SS..Hα-helixtrans-67.4-31.3174.942.90000113Q104 D152Q104-T154 WeakPolarHBondContact O-CG2 3.46Å; D152-T154 PolarHBondContact O-N 3.36Å; D152-T154 VanDerWaalsContact O-N 3.16Å; D152-T154 PolarHBondContact OD2-OG1 3.09Å
155R95.9Very high97Very high146 Ų14662.8 Ų62.855%0.55133%0.325SS*.Hα-helixtrans-79.9-45.8177.6179.5174.2173.3160.70.4112Y151 D152 S153Y151-R155 PolarHBondContact OH-NH2 3.4Å; D152-R155 WeakPolarHBondContact O-CB 3.47Å; D152-R155 PolarHBondContact O-N 2.87Å; S153-R155 VanDerWaalsContact C-N 3.32Å
156T97.3Very high97.1Very high2 Ų257.5 Ų57.51%0.01229%0.29CS..Hα-helixtrans-85.8-19.9-175.657.80000113W90 F142 Y151 D152 V158W90-T156 HydrophobicContact CD2-CG2 4.21Å; W90-T156 HydrophobicContact CG-CG2 4.3Å; F142-T156 HydrophobicContact CD1-CG2 3.92Å; F142-T156 HydrophobicContact CE1-CG2 4.4Å; Y151-T156 HydrophobicContact CD2-CG2 4.25Å; Y151-T156 HydrophobicContact CG-CG2 4.33Å; D152-T156 PolarHBondContact O-N 3.12Å; D152-T156 PolarHBondContact O-OG1 2.89Å; T156-V158 VanDerWaalsContact C-N 3.26Å; T156-V158 PolarHBondContact O-N 3.12Å; T156-V158 WeakPolarHBondContact OG1-CG2 3.27Å
157G96.8Very high97.3Very high9 Ų953.9 Ų53.99%0.09327%0.271CS..  trans74.710.6-17900000114.8Y93 S153Y93-G157 WeakPolarHBondContact CE1-O 3.49Å; S153-G157 VanDerWaalsContact O-CA 3.26Å; S153-G157 WeakPolarHBondContact O-CA 3.35Å; S153-G157 PolarHBondContact O-N 3.22Å
158V98Very high97.5Very high0 Ų055.5 Ų55.50%027%0.272CS..  trans-70.5152177.4-57.20000111.9T106 I123 F142 T156 Q163 L166T106-V158 VanDerWaalsContact CB-O 3.24Å; T106-V158 WeakPolarHBondContact CB-O 3.18Å; T106-V158 WeakPolarHBondContact CG2-O 2.93Å; T106-V158 PolarHBondContact OG1-O 3.42Å; I123-V158 HydrophobicContact CD1-CG1 3.81Å; I123-V158 HydrophobicContact CG1-CG1 4.22Å; F142-V158 HydrophobicContact CE1-CG1 3.93Å; T156-V158 VanDerWaalsContact C-N 3.26Å; T156-V158 PolarHBondContact O-N 3.12Å; T156-V158 WeakPolarHBondContact OG1-CG2 3.27Å; V158-Q163 HydrophobicContact CG2-CB 3.95Å; V158-L166 HydrophobicContact CG2-CD1 4.5Å
159C97.8Very high97.7Very high2 Ų254.6 Ų54.61%0.01426%0.261CS..  trans-73.3156.7172.571.10000111.3R107 C110 K161 Q162 Q163R107-C159 HydrophobicContact CG-CB 4.07Å; R107-C159 WeakPolarHBondContact O-CA 3.38Å; R107-C159 WeakPolarHBondContact O-CB 3.26Å; C110-C159 VanDerWaalsContact SG-CB 3.59Å; C159-K161 VanDerWaalsContact C-N 3.27Å; C159-K161 PolarHBondContact O-N 3.38Å; C159-Q162 PolarHBondContact O-N 3.04Å; C159-Q162 VanDerWaalsContact O-N 3.1Å; C159-Q162 WeakPolarHBondContact SG-CG 3.19Å; C159-Q163 PolarHBondContact O-N 2.93Å
160Q98.1Very high97.8Very high63 Ų6349.5 Ų49.529%0.29424%0.235SC..Hα-helixtrans-60.4-34.7-175.4-63.9-65.5-38.800113.2T106 R107 K108 S153 Q163 K164T106-Q160 WeakPolarHBondContact O-CG 3.41Å; T106-Q160 PolarHBondContact OG1-NE2 2.64Å; R107-Q160 PolarHBondContact O-N 3.39Å; K108-Q160 PolarHBondContact O-N 3.16Å; S153-Q160 PolarHBondContact OG-NE2 2.83Å; Q160-Q163 PolarHBondContact O-N 3.45Å; Q160-K164 PolarHBondContact O-N 3.21Å
161K97.9Very high97.8Very high119 Ų11949.2 Ų49.252%0.51724%0.239SC..Hα-helixtrans-60.3-49.1174.1179179.8177.3-176.40111.7K108 T109 C159 K164 Q165K108-K161 PolarHBondContact O-N 3.49Å; T109-K161 HydrophobicContact CG2-CB 3.78Å; T109-K161 HydrophobicContact CG2-CD 3.75Å; T109-K161 HydrophobicContact CG2-CG 4.36Å; C159-K161 VanDerWaalsContact C-N 3.27Å; C159-K161 PolarHBondContact O-N 3.38Å; K161-K164 PolarHBondContact O-N 3.35Å; K161-Q165 WeakPolarHBondContact O-CG 3.32Å; K161-Q165 PolarHBondContact O-N 3.02Å; K161-Q165 VanDerWaalsContact O-N 3.08Å
162Q97.9Very high97.8Very high30 Ų3049.6 Ų49.614%0.1425%0.245CC..Hα-helixtrans-68.9-36.7179.1-63.4-62.7-8.300111.4I123 I131 C159 K164 Q165 L166I123-Q162 HydrophobicContact CD1-CB 4.41Å; I123-Q162 HydrophobicContact CG2-CG 4.45Å; I131-Q162 HydrophobicContact CD1-CB 4.3Å; C159-Q162 PolarHBondContact O-N 3.04Å; C159-Q162 VanDerWaalsContact O-N 3.1Å; C159-Q162 WeakPolarHBondContact SG-CG 3.19Å; Q162-K164 VanDerWaalsContact C-N 3.31Å; Q162-K164 PolarHBondContact O-N 3Å; Q162-Q165 PolarHBondContact O-N 3.25Å; Q162-L166 WeakPolarHBondContact O-CG 3.38Å; Q162-L166 PolarHBondContact O-N 3.05Å
163Q98.3Very high97.9Very high13 Ų1345.7 Ų45.76%0.06122%0.224CC..Hα-helixtrans-58.4-43.7172.6-173.568.439.300111.6Y151 V158 C159 Q160 Q165 L166 N167Y151-Q163 PolarHBondContact O-NE2 3.14Å; V158-Q163 HydrophobicContact CG2-CB 3.95Å; C159-Q163 PolarHBondContact O-N 2.93Å; Q160-Q163 PolarHBondContact O-N 3.45Å; Q163-Q165 VanDerWaalsContact C-N 3.33Å; Q163-Q165 PolarHBondContact O-N 2.84Å; Q163-L166 PolarHBondContact O-N 3.24Å; Q163-N167 PolarHBondContact NE2-OD1 2.91Å; Q163-N167 VanDerWaalsContact NE2-OD1 3.09Å; Q163-N167 WeakPolarHBondContact O-CB 3.44Å; Q163-N167 VanDerWaalsContact O-CG 3.22Å; Q163-N167 PolarHBondContact O-N 3.4Å; Q163-N167 PolarHBondContact O-OD1 3.42Å
164K98.4Very high97.9Very high155 Ų15548.8 Ų48.867%0.67424%0.236SC*.Hα-helixtrans-62.4-42.4176.8-172.7179.7178.1-176.80111.3Q160 K161 Q162 N167 Q168Q160-K164 PolarHBondContact O-N 3.21Å; K161-K164 PolarHBondContact O-N 3.35Å; Q162-K164 VanDerWaalsContact C-N 3.31Å; Q162-K164 PolarHBondContact O-N 3Å; K164-N167 PolarHBondContact O-N 3.01Å; K164-Q168 WeakPolarHBondContact O-CB 3.49Å; K164-Q168 PolarHBondContact O-N 3.36Å
165Q98.3Very high98Very high77 Ų7752.8 Ų52.836%0.3626%0.255SS..Hα-helixtrans-65.5-41.1176.7-69.8176.9-65.100112I131 K161 Q162 Q163 Q168 A169I131-Q165 HydrophobicContact CD1-CB 3.96Å; K161-Q165 WeakPolarHBondContact O-CG 3.32Å; K161-Q165 PolarHBondContact O-N 3.02Å; K161-Q165 VanDerWaalsContact O-N 3.08Å; Q162-Q165 PolarHBondContact O-N 3.25Å; Q163-Q165 VanDerWaalsContact C-N 3.33Å; Q163-Q165 PolarHBondContact O-N 2.84Å; Q165-Q168 PolarHBondContact O-N 2.89Å; Q165-A169 WeakPolarHBondContact O-CB 3.35Å; Q165-A169 PolarHBondContact O-N 2.8Å
166L98.3Very high98.1Very high0 Ų051.5 Ų51.50%026%0.255CS..Hα-helixtrans-59.3-50.1172.5-77.2175.4000111.2I123 I131 L139 F142 V158 Q162 Q163 Q168 A169 I170I123-L166 HydrophobicContact CD1-CD1 3.81Å; I123-L166 HydrophobicContact CD1-CD2 4.19Å; I123-L166 HydrophobicContact CD1-CG 4.12Å; I131-L166 HydrophobicContact CD1-CD2 3.86Å; I131-L166 HydrophobicContact CD1-CG 3.79Å; I131-L166 HydrophobicContact CG1-CD2 3.93Å; I131-L166 HydrophobicContact CG1-CG 4.43Å; I131-L166 HydrophobicContact CG2-CD2 4.02Å; L139-L166 HydrophobicContact CD2-CD2 3.91Å; F142-L166 HydrophobicContact CB-CD1 4.42Å; F142-L166 HydrophobicContact CD1-CD1 3.72Å; F142-L166 HydrophobicContact CD2-CD1 4.25Å; F142-L166 HydrophobicContact CD2-CD2 3.93Å; F142-L166 HydrophobicContact CE1-CD1 4.02Å; F142-L166 HydrophobicContact CE2-CD2 4.2Å; F142-L166 HydrophobicContact CG-CD1 3.86Å; F142-L166 HydrophobicContact CG-CD2 4.28Å; F142-L166 HydrophobicContact CZ-CD1 4.41Å; V158-L166 HydrophobicContact CG2-CD1 4.5Å; Q162-L166 WeakPolarHBondContact O-CG 3.38Å; Q162-L166 PolarHBondContact O-N 3.05Å; Q163-L166 PolarHBondContact O-N 3.24Å; L166-Q168 VanDerWaalsContact C-N 3.29Å; L166-Q168 PolarHBondContact O-N 2.89Å; L166-A169 PolarHBondContact O-N 3.49Å; L166-I170 WeakPolarHBondContact O-CB 3.49Å; L166-I170 WeakPolarHBondContact O-CG1 3.45Å; L166-I170 PolarHBondContact O-N 3.18Å
167N98.3Very high98.1Very high77 Ų7754.3 Ų54.341%0.41228%0.284SS..Hα-helixtrans-60.6-40.6-179.6-69.5-7.3000111.6Q163 K164 G171Q163-N167 PolarHBondContact NE2-OD1 2.91Å; Q163-N167 VanDerWaalsContact NE2-OD1 3.09Å; Q163-N167 WeakPolarHBondContact O-CB 3.44Å; Q163-N167 VanDerWaalsContact O-CG 3.22Å; Q163-N167 PolarHBondContact O-N 3.4Å; Q163-N167 PolarHBondContact O-OD1 3.42Å; K164-N167 PolarHBondContact O-N 3.01Å; N167-G171 PolarHBondContact O-N 3.4Å
168Q98.6Very high98.1Very high131 Ų13157.5 Ų57.561%0.61230%0.299SS*.Hα-helixtrans-64.1-49.9175.2-175.5178.23.400111.2K164 Q165 L166 I170 G171 T172K164-Q168 WeakPolarHBondContact O-CB 3.49Å; K164-Q168 PolarHBondContact O-N 3.36Å; Q165-Q168 PolarHBondContact O-N 2.89Å; L166-Q168 VanDerWaalsContact C-N 3.29Å; L166-Q168 PolarHBondContact O-N 2.89Å; Q168-I170 VanDerWaalsContact C-N 3.33Å; Q168-I170 PolarHBondContact O-N 3.08Å; Q168-G171 PolarHBondContact O-N 3.29Å; Q168-T172 PolarHBondContact O-N 2.97Å; Q168-T172 PolarHBondContact O-OG1 2.08Å; Q168-T172 VanDerWaalsContact O-OG1 3.05Å
169A98.4Very high98Very high10 Ų1058 Ų588%0.08330%0.301CS..Hα-helixtrans-62.5-38.7179.900000112.5I131 Y133 L139 Q165 L166 A173I131-A169 HydrophobicContact CG2-CB 3.68Å; Y133-A169 WeakPolarHBondContact CB-O 3.43Å; L139-A169 HydrophobicContact CD1-CB 4.37Å; L139-A169 HydrophobicContact CD2-CB 4.24Å; Q165-A169 WeakPolarHBondContact O-CB 3.35Å; Q165-A169 PolarHBondContact O-N 2.8Å; L166-A169 PolarHBondContact O-N 3.49Å; A169-A173 WeakPolarHBondContact O-CB 3.15Å; A169-A173 PolarHBondContact O-N 3.33Å
170I98.4Very high97.9Very high2 Ų263.7 Ų63.71%0.0134%0.338CS..Hα-helixtrans-66.7-42.4175-68.3167.6000110.7L139 I143 V150 L166 Q168 A173 R174 L179L139-I170 HydrophobicContact CB-CG1 4.18Å; L139-I170 HydrophobicContact CD1-CG1 4.18Å; L139-I170 HydrophobicContact CD2-CG1 3.97Å; L139-I170 HydrophobicContact CG-CG1 4.33Å; I143-I170 HydrophobicContact CD1-CD1 4.17Å; I143-I170 HydrophobicContact CD1-CG1 4.31Å; I143-I170 HydrophobicContact CD1-CG2 4.03Å; I143-I170 HydrophobicContact CG1-CD1 4.05Å; V150-I170 HydrophobicContact CG1-CD1 3.88Å; V150-I170 HydrophobicContact CG2-CD1 3.82Å; V150-I170 HydrophobicContact CG2-CG2 4.12Å; L166-I170 WeakPolarHBondContact O-CB 3.49Å; L166-I170 WeakPolarHBondContact O-CG1 3.45Å; L166-I170 PolarHBondContact O-N 3.18Å; Q168-I170 VanDerWaalsContact C-N 3.33Å; Q168-I170 PolarHBondContact O-N 3.08Å; I170-A173 PolarHBondContact O-N 3.43Å; I170-R174 VanDerWaalsContact O-CG 3.32Å; I170-R174 WeakPolarHBondContact O-CG 3.44Å; I170-R174 PolarHBondContact O-N 3.37Å; I170-L179 HydrophobicContact CG1-CD1 4.45Å; I170-L179 HydrophobicContact CG2-CD1 4.18Å
171G98.2Very high97.8Very high27 Ų2765.7 Ų65.728%0.27835%0.346SS..Hα-helixtrans-57.5-5517400000111N167 Q168 A173 R174 D175N167-G171 PolarHBondContact O-N 3.4Å; Q168-G171 PolarHBondContact O-N 3.29Å; G171-A173 VanDerWaalsContact C-N 3.32Å; G171-A173 PolarHBondContact O-N 2.89Å; G171-R174 WeakPolarHBondContact O-CB 3.41Å; G171-R174 PolarHBondContact O-N 2.97Å; G171-D175 PolarHBondContact O-N 3.08Å
172T98.5Very high97.6Very high42 Ų4268.4 Ų68.426%0.25836%0.361SS..Hα-helixtrans-58.4-40.8177.5-56.10000112.4Y133 Q168 R174 D175 H176Y133-T172 HydrophobicContact CD1-CG2 4.27Å; Y133-T172 HydrophobicContact CD2-CG2 4.23Å; Y133-T172 HydrophobicContact CG-CG2 3.92Å; Q168-T172 PolarHBondContact O-N 2.97Å; Q168-T172 PolarHBondContact O-OG1 2.08Å; Q168-T172 VanDerWaalsContact O-OG1 3.05Å; T172-R174 VanDerWaalsContact C-N 3.33Å; T172-R174 PolarHBondContact O-N 3.1Å; T172-D175 PolarHBondContact O-N 3.25Å; T172-H176 PolarHBondContact O-CD2 3.12Å; T172-H176 PolarHBondContact O-N 2.75Å
173A98.4Very high97.4Very high0 Ų071.9 Ų71.90%038%0.384CS..Hα-helixtrans-66.1-33176.500000113.2Y133 L139 A169 I170 G171 G177 L178 L179Y133-A173 WeakPolarHBondContact O-CB 3.32Å; L139-A173 HydrophobicContact CD1-CB 4.08Å; A169-A173 WeakPolarHBondContact O-CB 3.15Å; A169-A173 PolarHBondContact O-N 3.33Å; I170-A173 PolarHBondContact O-N 3.43Å; G171-A173 VanDerWaalsContact C-N 3.32Å; G171-A173 PolarHBondContact O-N 2.89Å; A173-G177 PolarHBondContact O-N 3.2Å; A173-L178 HydrophobicContact CB-CB 4.43Å; A173-L178 PolarHBondContact O-N 2.97Å; A173-L179 HydrophobicContact CB-CB 4.42Å; A173-L179 HydrophobicContact CB-CD1 3.77Å; A173-L179 HydrophobicContact CB-CG 4.06Å; A173-L179 PolarHBondContact O-N 2.86Å
174R97.8Very high97.2Very high66 Ų6675.7 Ų75.725%0.24941%0.41CS..Hα-helixtrans-70.5-42.1172.3-73173.3-179.3-176.7-3.3111.3G148 I170 G171 T172 H176 G177 L179 F181G148-R174 PolarHBondContact O-NH2 3.31Å; I170-R174 VanDerWaalsContact O-CG 3.32Å; I170-R174 WeakPolarHBondContact O-CG 3.44Å; I170-R174 PolarHBondContact O-N 3.37Å; G171-R174 WeakPolarHBondContact O-CB 3.41Å; G171-R174 PolarHBondContact O-N 2.97Å; T172-R174 VanDerWaalsContact C-N 3.33Å; T172-R174 PolarHBondContact O-N 3.1Å; R174-H176 VanDerWaalsContact C-N 3.28Å; R174-H176 PolarHBondContact O-N 3.25Å; R174-G177 PolarHBondContact O-N 2.69Å; R174-L179 HydrophobicContact CG-CB 4.15Å; R174-F181 HydrophobicContact CB-CD1 3.9Å; R174-F181 HydrophobicContact CB-CE1 3.87Å; R174-F181 HydrophobicContact CG-CD1 3.78Å; R174-F181 HydrophobicContact CG-CE1 4.28Å; R174-F181 HydrophobicContact CG-CG 4.29Å
175D97.9Very high97.1Very high138 Ų13875.9 Ų75.974%0.73841%0.413SS*.Hα-helixtrans-61.7-37.8177.2-59-27.5000111.5G171 T172 G177G171-D175 PolarHBondContact O-N 3.08Å; T172-D175 PolarHBondContact O-N 3.25Å; D175-G177 VanDerWaalsContact C-N 3.29Å; D175-G177 PolarHBondContact O-N 2.67Å
176H98Very high96.9Very high118 Ų11876.3 Ų76.355%0.54642%0.42SS..THydrogen-bonded Turntrans-79.2-4.5173.9-71.8-65000114.4Y133 T172 R174 L178Y133-H176 AromaticContact CD2-CD2 3.85Å; Y133-H176 AromaticContact CE2-CD2 3.87Å; T172-H176 PolarHBondContact O-CD2 3.12Å; T172-H176 PolarHBondContact O-N 2.75Å; R174-H176 VanDerWaalsContact C-N 3.28Å; R174-H176 PolarHBondContact O-N 3.25Å; H176-L178 VanDerWaalsContact C-N 3.28Å; H176-L178 HydrophobicContact CB-CD1 4.43Å; H176-L178 HydrophobicContact CB-CG 4.12Å; H176-L178 PolarHBondContact O-N 3.35Å
177G97.3Very high96.5Very high61 Ų6181.9 Ų81.963%0.62945%0.45SS*.THydrogen-bonded Turntrans71.315.9-178.200000115.2A173 R174 D175A173-G177 PolarHBondContact O-N 3.2Å; R174-G177 PolarHBondContact O-N 2.69Å; D175-G177 VanDerWaalsContact C-N 3.29Å; D175-G177 PolarHBondContact O-N 2.67Å
178L97.4Very high96Very high77 Ų7784.7 Ų84.740%0.40346%0.459SS..  trans-76.4-32.6176.9-61.6178.2000112.2Y133 V136 A173 H176Y133-L178 HydrophobicContact CD2-CD1 4.06Å; Y133-L178 HydrophobicContact CE2-CD1 4.49Å; V136-L178 HydrophobicContact CG2-CB 3.91Å; A173-L178 HydrophobicContact CB-CB 4.43Å; A173-L178 PolarHBondContact O-N 2.97Å; H176-L178 VanDerWaalsContact C-N 3.28Å; H176-L178 HydrophobicContact CB-CD1 4.43Å; H176-L178 HydrophobicContact CB-CG 4.12Å; H176-L178 PolarHBondContact O-N 3.35Å
179L96.9Very high95.3Very high9 Ų983.7 Ų83.75%0.04747%0.466CS..SBendtrans-106.5126.4177.4-82.9174.5000110.8V136 L139 I143 I170 A173 R174V136-L179 HydrophobicContact CG1-CD2 3.76Å; L139-L179 HydrophobicContact CB-CD1 4.11Å; L139-L179 HydrophobicContact CD1-CD1 4.08Å; I143-L179 HydrophobicContact CD1-CD1 3.89Å; I143-L179 HydrophobicContact CD1-CD2 4.4Å; I170-L179 HydrophobicContact CG1-CD1 4.45Å; I170-L179 HydrophobicContact CG2-CD1 4.18Å; A173-L179 HydrophobicContact CB-CB 4.42Å; A173-L179 HydrophobicContact CB-CD1 3.77Å; A173-L179 HydrophobicContact CB-CG 4.06Å; A173-L179 PolarHBondContact O-N 2.86Å; R174-L179 HydrophobicContact CG-CB 4.15Å
180P94.3Very high94.6Very high122 Ų12287 Ų8779%0.79250%0.501SS*.  trans-70.6139174.129.5-33.6000110.5
181F95.5Very high93.9Very high106 Ų10693.1 Ų93.147%0.46553%0.53SS..  trans-146.4160.1171.669.7-78.9000110.2R174 V183R174-F181 HydrophobicContact CB-CD1 3.9Å; R174-F181 HydrophobicContact CB-CE1 3.87Å; R174-F181 HydrophobicContact CG-CD1 3.78Å; R174-F181 HydrophobicContact CG-CE1 4.28Å; R174-F181 HydrophobicContact CG-CG 4.29Å; F181-V183 HydrophobicContact CD2-CG2 3.98Å; F181-V183 HydrophobicContact CE1-CG2 4.47Å; F181-V183 HydrophobicContact CE2-CG2 3.41Å; F181-V183 VanDerWaalsContact CE2-CG2 3.41Å; F181-V183 HydrophobicContact CZ-CG2 3.69Å; F181-V183 PolarHBondContact O-N 3.49Å
182Q93.8Very high93.4Very high176 Ų17699.5 Ų99.582%0.82256%0.558SS**  trans-78.4117.4179.9-174.7175.8-8.600110
183V94.9Very high92.7Very high103 Ų103104.7 Ų104.762%0.62457%0.574SS**  trans-102113.6169.8-178.70000107.4F181F181-V183 HydrophobicContact CD2-CG2 3.98Å; F181-V183 HydrophobicContact CE1-CG2 4.47Å; F181-V183 HydrophobicContact CE2-CG2 3.41Å; F181-V183 VanDerWaalsContact CE2-CG2 3.41Å; F181-V183 HydrophobicContact CZ-CG2 3.69Å; F181-V183 PolarHBondContact O-N 3.49Å
184P94.6Very high92.3Very high92 Ų92108.2 Ų108.260%0.59760%0.598SS**  trans-67.7142.9174.828.9-33000109.9
185H95.1Very high91.9Very high160 Ų160111.1 Ų111.174%0.74162%0.619SS**  trans-69.3133.7165.6-171.163.5000108.9D187H185-D187 IonicContact CD2-OD1 3.25Å; H185-D187 PolarHBondContact CD2-OD1 3.04Å; H185-D187 VanDerWaalsContact CD2-OD1 3.25Å; H185-D187 IonicContact NE2-OD1 3.02Å; H185-D187 PolarHBondContact NE2-OD1 3.37Å
186V93.6Very high91.4Very high86 Ų86109.6 Ų109.652%0.52162%0.617SS.*  trans-119.6115.7176.8-179.80000107.1F188V186-F188 HydrophobicContact CB-CE2 4.48Å; V186-F188 HydrophobicContact CB-CZ 4.38Å; V186-F188 HydrophobicContact CG1-CE1 4.14Å; V186-F188 HydrophobicContact CG1-CE2 4.39Å; V186-F188 HydrophobicContact CG1-CZ 4.02Å; V186-F188 WeakPolarHBondContact O-CD2 3.24Å; V186-F188 WeakPolarHBondContact O-CE2 3.39Å
187D91.1Very high91Very high117 Ų117110.2 Ų110.263%0.62662%0.62SS**  trans-82133.2175.1-65.1-54.2000109.8H185H185-D187 IonicContact CD2-OD1 3.25Å; H185-D187 PolarHBondContact CD2-OD1 3.04Å; H185-D187 VanDerWaalsContact CD2-OD1 3.25Å; H185-D187 IonicContact NE2-OD1 3.02Å; H185-D187 PolarHBondContact NE2-OD1 3.37Å
188F88.4Confident90.7Very high136 Ų136112.8 Ų112.860%0.59662%0.62SS**  trans-108.814.1177.1-58-85.5000112.9V186 G190 E191 Y193V186-F188 HydrophobicContact CB-CE2 4.48Å; V186-F188 HydrophobicContact CB-CZ 4.38Å; V186-F188 HydrophobicContact CG1-CE1 4.14Å; V186-F188 HydrophobicContact CG1-CE2 4.39Å; V186-F188 HydrophobicContact CG1-CZ 4.02Å; V186-F188 WeakPolarHBondContact O-CD2 3.24Å; V186-F188 WeakPolarHBondContact O-CE2 3.39Å; F188-G190 PolarHBondContact O-N 3.37Å; F188-E191 PolarHBondContact O-N 2.97Å; F188-Y193 WeakPolarHBondContact CB-OH 3.22Å; F188-Y193 PolarHBondContact O-OH 3.09Å
189S83.8Confident90.4Very high110 Ų110113.1 Ų113.177%0.76963%0.634SS**THydrogen-bonded Turntrans-64.26.4-169.4540000117.2
190G83Confident90.2Very high79 Ų79117.7 Ų117.781%0.81466%0.662SS**THydrogen-bonded Turntrans-96.5-0.917900000115.4F188F188-G190 PolarHBondContact O-N 3.37Å
191E83.8Confident89.9Confident130 Ų130113.6 Ų113.661%0.60764%0.642SS**SBendtrans-110138.7-175.5-64.5176.9-179.500111.7F188 Y193F188-E191 PolarHBondContact O-N 2.97Å; E191-Y193 HydrophobicContact CB-CE1 4.36Å; E191-Y193 WeakPolarHBondContact O-CD2 3.42Å; E191-Y193 WeakPolarHBondContact O-CE2 3.44Å; E191-Y193 PolarHBondContact O-N 2.96Å
192D86.8Confident89.6Confident161 Ų161114.5 Ų114.586%0.86166%0.661SS**  trans-75.5103.8171-68.6-31.8000109S194D192-S194 PolarHBondContact O-N 3.37Å
193Y85Confident89.4Confident152 Ų152110.7 Ų110.760%0.59665%0.65SS**  trans-75.640.8177.3-62.6-71.1000113.7F188 E191F188-Y193 WeakPolarHBondContact CB-OH 3.22Å; F188-Y193 PolarHBondContact O-OH 3.09Å; E191-Y193 HydrophobicContact CB-CE1 4.36Å; E191-Y193 WeakPolarHBondContact O-CD2 3.42Å; E191-Y193 WeakPolarHBondContact O-CE2 3.44Å; E191-Y193 PolarHBondContact O-N 2.96Å
194S88.8Confident89.2Confident74 Ų74111.3 Ų111.352%0.51766%0.656SS.*  trans-98.6109.9178.5-173.90000109.9D192 C196D192-S194 PolarHBondContact O-N 3.37Å; S194-C196 PolarHBondContact O-N 2.96Å; S194-C196 PolarHBondContact OG-SG 3.45Å
195N89.1Confident89Confident127 Ų127110.9 Ų110.968%0.67965%0.654SS**THydrogen-bonded Turntrans-7927.7175.2-69.2-31.3000113H197 V200N195-H197 VanDerWaalsContact C-N 3.35Å; N195-V200 HydrophobicContact CB-CG1 4.3Å
196C87.6Confident88.8Confident105 Ų105104.7 Ų104.771%0.70963%0.627SS**THydrogen-bonded Turntrans-86.4-4.1-177.2-63.40000113.6S194S194-C196 PolarHBondContact O-N 2.96Å; S194-C196 PolarHBondContact OG-SG 3.45Å
197H90.7Very high88.6Confident132 Ų132105.6 Ų105.661%0.61164%0.635SS**SBendtrans-75.5135.4178.1-171.3-88.5000111N195 A199 V200 G201N195-H197 VanDerWaalsContact C-N 3.35Å; H197-A199 WeakPolarHBondContact ND1-CB 3.43Å; H197-A199 PolarHBondContact ND1-N 3.43Å; H197-A199 VanDerWaalsContact ND1-N 3.13Å; H197-A199 PolarHBondContact O-N 3.03Å; H197-V200 PolarHBondContact O-N 2.94Å; H197-G201 PolarHBondContact O-N 3.45Å
198D90.5Very high88.4Confident114 Ų114101.8 Ų101.861%0.6162%0.616SS**THydrogen-bonded Turntrans-56.8-25.8-176-67.2-23.6000114.3V200 G201 T203D198-V200 VanDerWaalsContact C-N 3.3Å; D198-V200 PolarHBondContact O-N 3.13Å; D198-G201 VanDerWaalsContact O-O 3.08Å; D198-T203 HydrophobicContact CB-CG2 4.14Å; D198-T203 WeakPolarHBondContact O-CG2 3.24Å
199A90.8Very high88.3Confident85 Ų85100.6 Ų100.670%0.70262%0.615SS**THydrogen-bonded Turntrans-67.4-28.417600000113.8H197H197-A199 WeakPolarHBondContact ND1-CB 3.43Å; H197-A199 PolarHBondContact ND1-N 3.43Å; H197-A199 VanDerWaalsContact ND1-N 3.13Å; H197-A199 PolarHBondContact O-N 3.03Å
200V92.4Very high88.3Confident104 Ų104100.7 Ų100.763%0.6361%0.611SS**THydrogen-bonded Turntrans-96.2-32.6175.1-175.60000110N195 H197 D198N195-V200 HydrophobicContact CB-CG1 4.3Å; H197-V200 PolarHBondContact O-N 2.94Å; D198-V200 VanDerWaalsContact C-N 3.3Å; D198-V200 PolarHBondContact O-N 3.13Å
201G88.9Confident88.5Confident36 Ų36100.4 Ų100.437%0.37160%0.596SS.*SBendtrans-70.6174174.900000113.7H197 D198 T203H197-G201 PolarHBondContact O-N 3.45Å; D198-G201 VanDerWaalsContact O-O 3.08Å; G201-T203 PolarHBondContact O-N 3.25Å
202S89.4Confident88.7Confident125 Ų12597.3 Ų97.387%0.87460%0.599SS**  trans-77.8114170-62.80000109.4
203T90.1Very high88.9Confident97 Ų9793.6 Ų93.660%0.59558%0.58SS**PPolyproline II helixtrans-75135.3169.141.70000109.5D198 G201D198-T203 HydrophobicContact CB-CG2 4.14Å; D198-T203 WeakPolarHBondContact O-CG2 3.24Å; G201-T203 PolarHBondContact O-N 3.25Å
204P90.1Very high89.2Confident115 Ų11588.7 Ų88.775%0.74757%0.566SS**PPolyproline II helixtrans-61.7132.6176.525.2-32.5000109.3
205P90.8Very high89.2Confident84 Ų8492.2 Ų92.255%0.54557%0.568SS.*PPolyproline II helixtrans-65.7141.5-177.827.1-33.7000109.8I209P205-I209 HydrophobicContact CB-CG2 4.18Å
206P90.6Very high89.4Confident29 Ų2991.8 Ų91.819%0.18856%0.558CS.*PPolyproline II helixtrans-65.3157173.134.2-40.8000110.1T208 I209 T210 W215P206-T208 PolarHBondContact O-N 3.12Å; P206-I209 HydrophobicContact CG-CB 3.84Å; P206-I209 HydrophobicContact CG-CD1 3.52Å; P206-I209 HydrophobicContact CG-CG1 3.67Å; P206-I209 PolarHBondContact O-N 3.22Å; P206-I209 VanDerWaalsContact O-N 3.12Å; P206-T210 PolarHBondContact O-N 3.46Å; P206-W215 HydrophobicContact CB-CH2 4.01Å; P206-W215 HydrophobicContact CB-CZ3 3.94Å; P206-W215 HydrophobicContact CG-CE3 4.11Å; P206-W215 HydrophobicContact CG-CH2 4.05Å; P206-W215 HydrophobicContact CG-CZ3 3.5Å
207P88.3Confident89.4Confident106 Ų10695.1 Ų95.169%0.68856%0.556SS**Hα-helixtrans-59.7-33179.422.5-32.7000112.9I209 T210 S211P207-I209 VanDerWaalsContact C-N 3.34Å; P207-I209 PolarHBondContact O-N 3Å; P207-T210 WeakPolarHBondContact O-CB 3.43Å; P207-T210 PolarHBondContact O-N 3.07Å; P207-T210 VanDerWaalsContact O-N 3.07Å; P207-S211 PolarHBondContact O-N 3.44Å; P207-S211 PolarHBondContact O-OG 3.38Å
208T87.9Confident89.4Confident36 Ų3696.9 Ų96.922%0.22156%0.557CS.*Hα-helixtrans-61.6-38.2176.848.20000112.8P206 T210 S211 G212 D213P206-T208 PolarHBondContact O-N 3.12Å; T208-T210 VanDerWaalsContact C-N 3.3Å; T208-T210 PolarHBondContact O-N 3.41Å; T208-S211 PolarHBondContact O-N 2.72Å; T208-S211 PolarHBondContact O-OG 3.23Å; T208-G212 PolarHBondContact O-N 2.95Å; T208-D213 CarbonylContact C-O 3.57Å; T208-D213 PolarHBondContact O-N 3.06Å; T208-D213 VanDerWaalsContact O-O 3.11Å
209I85.3Confident89.5Confident112 Ų11297.7 Ų97.757%0.57455%0.552SS**Hα-helixtrans-66.6-35.6174-78.6172.2000110.8P205 P206 P207 G212P205-I209 HydrophobicContact CB-CG2 4.18Å; P206-I209 HydrophobicContact CG-CB 3.84Å; P206-I209 HydrophobicContact CG-CD1 3.52Å; P206-I209 HydrophobicContact CG-CG1 3.67Å; P206-I209 PolarHBondContact O-N 3.22Å; P206-I209 VanDerWaalsContact O-N 3.12Å; P207-I209 VanDerWaalsContact C-N 3.34Å; P207-I209 PolarHBondContact O-N 3Å; I209-G212 PolarHBondContact O-N 3.48Å
210T85.1Confident89.4Confident111 Ų11196.5 Ų96.568%0.68153%0.532SS*.Hα-helixtrans-71.1-36.6179.7-53.40000111.9P206 P207 T208 G212P206-T210 PolarHBondContact O-N 3.46Å; P207-T210 WeakPolarHBondContact O-CB 3.43Å; P207-T210 PolarHBondContact O-N 3.07Å; P207-T210 VanDerWaalsContact O-N 3.07Å; T208-T210 VanDerWaalsContact C-N 3.3Å; T208-T210 PolarHBondContact O-N 3.41Å; T210-G212 VanDerWaalsContact C-N 3.34Å
211S86.5Confident89.3Confident73 Ų7397.9 Ų97.951%0.5154%0.541SS..Hα-helixtrans-81-11.617664.80000114P207 T208 D213P207-S211 PolarHBondContact O-N 3.44Å; P207-S211 PolarHBondContact O-OG 3.38Å; T208-S211 PolarHBondContact O-N 2.72Å; T208-S211 PolarHBondContact O-OG 3.23Å; S211-D213 VanDerWaalsContact C-N 3.27Å; S211-D213 WeakPolarHBondContact CB-OD2 3.37Å; S211-D213 PolarHBondContact OG-OD2 3.47Å
212G88.4Confident89.4Confident65 Ų65101 Ų10167%0.6755%0.548SS*.THydrogen-bonded Turntrans77.411.9-174.700000113.7T208 I209 T210T208-G212 PolarHBondContact O-N 2.95Å; I209-G212 PolarHBondContact O-N 3.48Å; T210-G212 VanDerWaalsContact C-N 3.34Å
213D89.9Confident89.4Confident84 Ų84102.6 Ų102.645%0.44954%0.542SS..  trans-85.5147.2178.9-66.9-53.5000111.7T208 S211T208-D213 CarbonylContact C-O 3.57Å; T208-D213 PolarHBondContact O-N 3.06Å; T208-D213 VanDerWaalsContact O-O 3.11Å; S211-D213 VanDerWaalsContact C-N 3.27Å; S211-D213 WeakPolarHBondContact CB-OD2 3.37Å; S211-D213 PolarHBondContact OG-OD2 3.47Å
214P91.3Very high89.6Confident48 Ų48101.9 Ų101.931%0.31254%0.539SS..  trans-53.4148.6166.4-20.329.3000112.5Y216 Y219 H220P214-Y216 VanDerWaalsContact C-N 3.27Å; P214-Y216 PolarHBondContact O-N 3.21Å; P214-Y219 HydrophobicContact CB-CD2 3.87Å; P214-Y219 HydrophobicContact CB-CG 4.29Å; P214-H220 WeakPolarHBondContact CD-CE1 3.23Å; P214-H220 VanDerWaalsContact CD-NE2 3.28Å; P214-H220 WeakPolarHBondContact CD-NE2 3.46Å
215W89.6Confident89.8Confident149 Ų149102 Ų10256%0.56453%0.533SS*.SBendtrans-56.3-39.5-177-168.4-74.8000113.7P206P206-W215 HydrophobicContact CB-CH2 4.01Å; P206-W215 HydrophobicContact CB-CZ3 3.94Å; P206-W215 HydrophobicContact CG-CE3 4.11Å; P206-W215 HydrophobicContact CG-CH2 4.05Å; P206-W215 HydrophobicContact CG-CZ3 3.5Å
216Y92.7Very high90Very high118 Ų118106.2 Ų106.246%0.46355%0.545SS..SBendtrans-119.9146.3177.8-61.2-70.4000111.4P214 W218 Y219P214-Y216 VanDerWaalsContact C-N 3.27Å; P214-Y216 PolarHBondContact O-N 3.21Å; Y216-W218 VanDerWaalsContact C-N 3.26Å; Y216-W218 VanDerWaalsContact CB-NE1 3.3Å; Y216-W218 HydrophobicContact CD2-CZ2 4.24Å; Y216-W218 AromaticContact CG-NE1 3.69Å; Y216-W218 PolarHBondContact O-N 3.38Å; Y216-Y219 HydrophobicContact CD2-CE2 4.05Å; Y216-Y219 WeakPolarHBondContact O-CB 3.28Å; Y216-Y219 PolarHBondContact O-N 3.15Å; Y216-Y219 VanDerWaalsContact O-N 3.16Å
217R88.8Confident90.2Very high175 Ų175109.2 Ų109.266%0.6656%0.564SS**G310 helixtrans-60.2-33.2-176.8-173.560.2-178.9128.14.4113.9Y219 H220R217-Y219 PolarHBondContact O-N 3.16Å; R217-H220 PolarHBondContact NH1-CD2 3.03Å; R217-H220 PolarHBondContact O-CD2 3.29Å; R217-H220 PolarHBondContact O-N 3.33Å
218W90.8Very high90.5Very high169 Ų169108.5 Ų108.564%0.6455%0.551SS**G310 helixtrans-77.1-3.9-177.359-95.5000114.3Y216 H220 I222Y216-W218 VanDerWaalsContact C-N 3.26Å; Y216-W218 VanDerWaalsContact CB-NE1 3.3Å; Y216-W218 HydrophobicContact CD2-CZ2 4.24Å; Y216-W218 AromaticContact CG-NE1 3.69Å; Y216-W218 PolarHBondContact O-N 3.38Å; W218-H220 VanDerWaalsContact C-N 3.29Å; W218-I222 HydrophobicContact CB-CD1 4.35Å
219Y92.7Very high90.8Very high131 Ų131108.9 Ų108.951%0.51455%0.553SS.*G310 helixtrans-73.9-21.7167.9-71.1-20.5000113.1P214 Y216 R217P214-Y219 HydrophobicContact CB-CD2 3.87Å; P214-Y219 HydrophobicContact CB-CG 4.29Å; Y216-Y219 HydrophobicContact CD2-CE2 4.05Å; Y216-Y219 WeakPolarHBondContact O-CB 3.28Å; Y216-Y219 PolarHBondContact O-N 3.15Å; Y216-Y219 VanDerWaalsContact O-N 3.16Å; R217-Y219 PolarHBondContact O-N 3.16Å
220H88.1Confident91.2Very high59 Ų59106.2 Ų106.227%0.27355%0.548SS..SBendtrans-73.3154.9171.4-63.8-87.1000111.1P214 R217 W218 I222P214-H220 WeakPolarHBondContact CD-CE1 3.23Å; P214-H220 VanDerWaalsContact CD-NE2 3.28Å; P214-H220 WeakPolarHBondContact CD-NE2 3.46Å; R217-H220 PolarHBondContact NH1-CD2 3.03Å; R217-H220 PolarHBondContact O-CD2 3.29Å; R217-H220 PolarHBondContact O-N 3.33Å; W218-H220 VanDerWaalsContact C-N 3.29Å; H220-I222 PolarHBondContact O-N 3.21Å
221T90.4Very high91.7Very high133 Ų133106.5 Ų106.582%0.81654%0.54SS*.  trans-64107.3165.3-52.20000109.2
222I90.9Very high92.1Very high101 Ų101106.8 Ų106.852%0.51854%0.538SS..PPolyproline II helixtrans-92.7125.9173-60.1169.4000107.5W218 H220 P224W218-I222 HydrophobicContact CB-CD1 4.35Å; H220-I222 PolarHBondContact O-N 3.21Å; I222-P224 WeakPolarHBondContact O-CD 3.35Å
223Q90.3Very high92.4Very high160 Ų160109.5 Ų109.575%0.74853%0.531SS*.PPolyproline II helixtrans-76116.1168.4-69.7-65.9-2500108
224P92.4Very high92.6Very high81 Ų81113.9 Ų113.953%0.52655%0.547SS..PPolyproline II helixtrans-74.9152.2-178.431-34.9000111.3I222 E226 V229I222-P224 WeakPolarHBondContact O-CD 3.35Å; P224-E226 PolarHBondContact O-N 3.44Å; P224-V229 HydrophobicContact CB-CG2 3.85Å; P224-V229 HydrophobicContact CG-CG2 3.5Å; P224-V229 VanDerWaalsContact CG-CG2 3.5Å
225D95.6Very high92.9Very high119 Ų119116.7 Ų116.764%0.63656%0.563SS**PPolyproline II helixtrans-61.4133.9175.6-67.5-27000111.3T227 E228 V229D225-T227 PolarHBondContact O-N 2.68Å; D225-T227 VanDerWaalsContact O-N 3.14Å; D225-E228 HydrophobicContact CB-CG 4.48Å; D225-E228 PolarHBondContact O-N 3.14Å; D225-E228 VanDerWaalsContact O-N 3.08Å; D225-V229 WeakPolarHBondContact O-CG2 3.41Å; D225-V229 PolarHBondContact O-N 3.48Å
226E94.6Very high93.2Very high171 Ų171115.9 Ų115.980%0.79956%0.561SS**Hα-helixtrans-60.1-30.4-174.7-62.3-175.8169.700112.8P224 V229 A230P224-E226 PolarHBondContact O-N 3.44Å; E226-V229 PolarHBondContact O-N 3.37Å; E226-A230 WeakPolarHBondContact O-CB 3.4Å; E226-A230 PolarHBondContact O-N 2.85Å
227T95.3Very high93.2Very high93 Ų93118.4 Ų118.457%0.57157%0.574SS**Hα-helixtrans-66-42177.554.80000112D225 A230 K231D225-T227 PolarHBondContact O-N 2.68Å; D225-T227 VanDerWaalsContact O-N 3.14Å; T227-A230 PolarHBondContact O-N 3.48Å; T227-K231 WeakPolarHBondContact O-CG 3.48Å; T227-K231 PolarHBondContact O-N 3.08Å; T227-K231 VanDerWaalsContact O-N 3.08Å
228E93.5Very high93.4Very high90 Ų90114.2 Ų114.242%0.42158%0.577SS.*Hα-helixtrans-72.2-39.9176.9-64.3-55.6142.600110.9D225 A230 K231 V232D225-E228 HydrophobicContact CB-CG 4.48Å; D225-E228 PolarHBondContact O-N 3.14Å; D225-E228 VanDerWaalsContact O-N 3.08Å; E228-A230 VanDerWaalsContact C-N 3.27Å; E228-A230 PolarHBondContact O-N 3.08Å; E228-K231 WeakPolarHBondContact O-CB 3.41Å; E228-K231 PolarHBondContact O-N 3.09Å; E228-K231 IonicContact OE1-NZ 2.68Å; E228-K231 PolarHBondContact OE1-NZ 3.05Å; E228-K231 WeakPolarHBondContact OE2-CD 3.44Å; E228-K231 IonicContact OE2-NZ 3.48Å; E228-K231 PolarHBondContact OE2-NZ 2.88Å; E228-V232 WeakPolarHBondContact O-CG2 3.47Å; E228-V232 PolarHBondContact O-N 3.42Å
229V94.6Very high93.4Very high45 Ų45115.7 Ų115.727%0.27358%0.584SS.*Hα-helixtrans-58.5-42.2172176.90000110.8P224 D225 E226 V232 K233P224-V229 HydrophobicContact CB-CG2 3.85Å; P224-V229 HydrophobicContact CG-CG2 3.5Å; P224-V229 VanDerWaalsContact CG-CG2 3.5Å; D225-V229 WeakPolarHBondContact O-CG2 3.41Å; D225-V229 PolarHBondContact O-N 3.48Å; E226-V229 PolarHBondContact O-N 3.37Å; V229-V232 PolarHBondContact O-N 3.41Å; V229-K233 HydrophobicContact CG1-CD 4.01Å; V229-K233 HydrophobicContact CG1-CG 4.29Å; V229-K233 WeakPolarHBondContact O-CB 3.38Å; V229-K233 VanDerWaalsContact O-CG 3.29Å; V229-K233 WeakPolarHBondContact O-CG 3.29Å; V229-K233 PolarHBondContact O-N 3.36Å
230A93.9Very high93.3Very high56 Ų56113.7 Ų113.746%0.46358%0.581SS.*Hα-helixtrans-64.3-41.1177.400000112.4E226 T227 E228 K233 K234E226-A230 WeakPolarHBondContact O-CB 3.4Å; E226-A230 PolarHBondContact O-N 2.85Å; T227-A230 PolarHBondContact O-N 3.48Å; E228-A230 VanDerWaalsContact C-N 3.27Å; E228-A230 PolarHBondContact O-N 3.08Å; A230-K233 PolarHBondContact O-N 3.23Å; A230-K234 WeakPolarHBondContact O-CB 3.34Å; A230-K234 PolarHBondContact O-N 2.96Å
231K95.5Very high92.9Very high116 Ų116124.2 Ų124.250%0.50463%0.626SS.*Hα-helixtrans-59.7-48.4173.4-70.9171.6-172.3170.20111.2T227 E228 K234 T235T227-K231 WeakPolarHBondContact O-CG 3.48Å; T227-K231 PolarHBondContact O-N 3.08Å; T227-K231 VanDerWaalsContact O-N 3.08Å; E228-K231 WeakPolarHBondContact O-CB 3.41Å; E228-K231 PolarHBondContact O-N 3.09Å; E228-K231 IonicContact OE1-NZ 2.68Å; E228-K231 PolarHBondContact OE1-NZ 3.05Å; E228-K231 WeakPolarHBondContact OE2-CD 3.44Å; E228-K231 IonicContact OE2-NZ 3.48Å; E228-K231 PolarHBondContact OE2-NZ 2.88Å; K231-K234 WeakPolarHBondContact O-CB 3.47Å; K231-K234 PolarHBondContact O-N 3.24Å; K231-T235 PolarHBondContact O-N 3.06Å; K231-T235 PolarHBondContact O-OG1 3.2Å; K231-T235 VanDerWaalsContact O-OG1 3.09Å
232V94.9Very high93Very high79 Ų79123.8 Ų123.848%0.47962%0.617SS.*Hα-helixtrans-62.5-44.6178.2174.70000111.1E228 V229 K234 T235 Y236E228-V232 WeakPolarHBondContact O-CG2 3.47Å; E228-V232 PolarHBondContact O-N 3.42Å; V229-V232 PolarHBondContact O-N 3.41Å; V232-K234 VanDerWaalsContact C-N 3.28Å; V232-K234 PolarHBondContact O-N 3.34Å; V232-T235 PolarHBondContact O-N 2.99Å; V232-Y236 HydrophobicContact CG1-CD2 3.88Å; V232-Y236 HydrophobicContact CG1-CE2 4.33Å; V232-Y236 WeakPolarHBondContact O-CD2 3.43Å; V232-Y236 PolarHBondContact O-N 3.2Å
233K94.5Very high93.1Very high122 Ų122125 Ų12553%0.5362%0.622SS.*Hα-helixtrans-60.2-36.9176.6-76.9178.7177.3177.50112.5V229 A230 K237 L240V229-K233 HydrophobicContact CG1-CD 4.01Å; V229-K233 HydrophobicContact CG1-CG 4.29Å; V229-K233 WeakPolarHBondContact O-CB 3.38Å; V229-K233 VanDerWaalsContact O-CG 3.29Å; V229-K233 WeakPolarHBondContact O-CG 3.29Å; V229-K233 PolarHBondContact O-N 3.36Å; A230-K233 PolarHBondContact O-N 3.23Å; K233-K237 VanDerWaalsContact O-CA 3.31Å; K233-K237 WeakPolarHBondContact O-CA 3.46Å; K233-K237 WeakPolarHBondContact O-CB 3.48Å; K233-K237 PolarHBondContact O-N 2.85Å; K233-K237 VanDerWaalsContact O-N 3.13Å; K233-L240 HydrophobicContact CB-CD1 3.98Å; K233-L240 HydrophobicContact CG-CD1 3.95Å
234K95Very high93.3Very high177 Ų177123.1 Ų123.177%0.7762%0.615SS**Hα-helixtrans-66.2-45.6175.4-175.3-179.4178.2-178.70111.4A230 K231 V232A230-K234 WeakPolarHBondContact O-CB 3.34Å; A230-K234 PolarHBondContact O-N 2.96Å; K231-K234 WeakPolarHBondContact O-CB 3.47Å; K231-K234 PolarHBondContact O-N 3.24Å; V232-K234 VanDerWaalsContact C-N 3.28Å; V232-K234 PolarHBondContact O-N 3.34Å
235T96Very high93.3Very high106 Ų106125.5 Ų125.565%0.6562%0.62SS**Hα-helixtrans-64.3-43.6-178.9-56.70000112.3K231 V232K231-T235 PolarHBondContact O-N 3.06Å; K231-T235 PolarHBondContact O-OG1 3.2Å; K231-T235 VanDerWaalsContact O-OG1 3.09Å; V232-T235 PolarHBondContact O-N 2.99Å
236Y95.7Very high93.2Very high133 Ų133125.9 Ų125.952%0.52262%0.619SS.*THydrogen-bonded Turntrans-101.416.9-174.7-64.7-77.9000114.1V232 A238 Y239 L240V232-Y236 HydrophobicContact CG1-CD2 3.88Å; V232-Y236 HydrophobicContact CG1-CE2 4.33Å; V232-Y236 WeakPolarHBondContact O-CD2 3.43Å; V232-Y236 PolarHBondContact O-N 3.2Å; Y236-A238 PolarHBondContact O-N 2.95Å; Y236-Y239 PolarHBondContact O-N 2.96Å; Y236-L240 WeakPolarHBondContact O-CG 3.31Å; Y236-L240 PolarHBondContact O-N 3.13Å
237K93.3Very high93.1Very high171 Ų171122.9 Ų122.974%0.74361%0.607SS**THydrogen-bonded Turntrans-46.3-37-170.8-175.1179.4177.3-1770115.2K233 Y239K233-K237 VanDerWaalsContact O-CA 3.31Å; K233-K237 WeakPolarHBondContact O-CA 3.46Å; K233-K237 WeakPolarHBondContact O-CB 3.48Å; K233-K237 PolarHBondContact O-N 2.85Å; K233-K237 VanDerWaalsContact O-N 3.13Å; K237-Y239 VanDerWaalsContact C-N 3.33Å
238A92.6Very high92.9Very high87 Ų87125.1 Ų125.172%0.71961%0.61SS**THydrogen-bonded Turntrans-77.6-13.6-178.200000114.6Y236Y236-A238 PolarHBondContact O-N 2.95Å
239Y91.9Very high92.9Very high200 Ų200127.8 Ų127.878%0.78463%0.625SS**THydrogen-bonded Turntrans-1275.3-171-53.5-75.4000113.5Y236 K237Y236-Y239 PolarHBondContact O-N 2.96Å; K237-Y239 VanDerWaalsContact C-N 3.33Å
240L90.5Very high92.7Very high89 Ų89134.7 Ų134.747%0.46665%0.654SS.*  trans-66.4136.3173.4-64.6173.4000109.3K233 Y236K233-L240 HydrophobicContact CB-CD1 3.98Å; K233-L240 HydrophobicContact CG-CD1 3.95Å; Y236-L240 WeakPolarHBondContact O-CG 3.31Å; Y236-L240 PolarHBondContact O-N 3.13Å
241K79Confident92.6Very high280 Ų280141.8 Ų141.8100%1.21767%0.671SS**  trans-84.80171.2-69.1-176.8179.9178.90110.8

Retrieved 241 of 241 residues in 708.4 ms (Link to these results)