A0A077ZL40_TRITR Loading...

C2H2-type domain-containing protein

AlphaFold DB , UniProt , Accession A0A077ZL40, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 474 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
1M39.6Very low48Very low235 Ų235137.8 Ų137.8100%1.15885%0.848SS**  0136.60-64.6-62.9177.500107.3
2P57.9Low47.7Very low100 Ų100146.6 Ų146.665%0.64985%0.854SS**  -109.3151.1-78.72.919.3000112.1
3L45.9Very low47.5Very low171 Ų171141.2 Ų141.290%0.89585%0.848SS**  79.7134.3110.5-63.8169.6000116.2
4G48.1Very low47.6Very low75 Ų75143.9 Ų143.977%0.77385%0.848SS**  trans160.769.6168.500000113.7
5E45.7Very low47.9Very low164 Ų164143.9 Ų143.977%0.76685%0.85SS**  trans-63.9149.3170-63.3159.9108.900111.5
6T57.3Low48Very low143 Ų143145.2 Ų145.288%0.87785%0.845SS**  -166.3135.1127.834.90000111
7N43.3Very low47.6Very low162 Ų162143.9 Ų143.987%0.86685%0.846SS**  trans-81.5150.1-176.2-68.4-62.8000111.9
8G47.2Very low47.7Very low79 Ų79143.2 Ų143.281%0.81484%0.837SS**  trans-155.999.9171.200000111.5
9V49.5Very low47.4Very low143 Ų143143.5 Ų143.587%0.86783%0.834SS**  trans-52.3132.8-176.4174.90000113.8
10G44.2Very low47.6Very low76 Ų76145.4 Ų145.478%0.78484%0.839SS**  trans-135.7114.8169.200000111.1
11L49.3Very low47.7Very low168 Ų168145.8 Ų145.888%0.8883%0.834SS**  trans-66.5145.3-171.2-76.2146.6000113.9
12R43.9Very low48.4Very low243 Ų243142.4 Ų142.492%0.91782%0.815SS**  trans-70.6131175.5-67.8176.5177.1-140-1111.4
13G45.4Very low48Very low76 Ų76145.2 Ų145.278%0.78482%0.82SS**  trans-116112.916200000109.9
14Q49Very low48Very low179 Ų179146 Ų14684%0.83682%0.818SS**  trans-77.5132.5173.3-68.8167.6900109.3
15T52.6Low47.8Very low144 Ų144151.5 Ų151.588%0.88382%0.824SS**  trans-112.9114.5165.345.40000109.6
16H48.9Very low47.9Very low165 Ų165154.8 Ų154.876%0.76483%0.829SS**  trans-71.3126.2177.6-135.2-125.5000109.2L18H16-L18 WeakPolarHBondContact ND1-CD1 3.49Å
17S42.1Very low47.2Very low124 Ų124154.4 Ų154.487%0.86783%0.831SS**  trans-94.3110.3167.5-169.10000107.8
18L48.4Very low47.4Very low130 Ų130154.5 Ų154.568%0.68183%0.831SS**  trans-121.5118.9173.6-88.1170000110.2H16H16-L18 WeakPolarHBondContact ND1-CD1 3.49Å
19L42.8Very low47.4Very low150 Ų150156.9 Ų156.979%0.78583%0.829SS**  trans8.9118.8145.1-115.677.3000117.3
20L50.3Low47.5Very low180 Ų180156 Ų15694%0.94283%0.827SS**  trans-110.8104.5150.5-109.991.6000108.7
21Q50.8Low47.7Very low154 Ų154158 Ų15872%0.7283%0.828SS**  trans-114.6144.9162-170.597.837.500106.5
22Q52.8Low47.8Very low164 Ų164156.9 Ų156.977%0.76683%0.828SS**  trans76136.2165.6-99.3164.239.600114.1
23Q50.3Low48Very low159 Ų159148.7 Ų148.774%0.74381%0.813SS**  cis-158.1152.529.8-60.4178.1-19.900108.5
24H46.3Very low48Very low188 Ų188153.7 Ų153.787%0.8782%0.816SS**  trans-168.686135-118.2-115000109.2
25E44.4Very low47.8Very low190 Ų190150.9 Ų150.989%0.88882%0.816SS**  trans-100.8125151.4-68.2-150.4125.200107.4
26R47.3Very low47.3Very low233 Ų233147.9 Ų147.988%0.87981%0.813SS**  trans179.4104.8157.2-102.1169.7-165.3-1584.7108.1
27C42.1Very low46.9Very low135 Ų135145.1 Ų145.191%0.91282%0.819SS**  trans-167.299.7136.4-97.80000108.1
28L47.5Very low47.2Very low165 Ų165148 Ų14886%0.86482%0.819SS**  trans-64.8140.8177.4-72.1143.7000111.6
29T47.6Very low47.3Very low128 Ų128148.6 Ų148.679%0.78583%0.828SS**  trans-74.2161.9163.553.20000111.8
30P52Low47.3Very low126 Ų126144.7 Ų144.782%0.81882%0.824SS**  trans-122.913514333.3-21.2000112.5
31S47.8Very low46.9Very low116 Ų116142.7 Ų142.781%0.81182%0.821SS**  trans-89.7127.2172.11650000109.9
32V52.6Low46.6Very low145 Ų145139.5 Ų139.588%0.87983%0.83SS**  trans-134.3139.5160.71770000109.3
33A47.3Very low46Very low71 Ų71135.4 Ų135.459%0.58783%0.832SS**  trans-82.4156.1-16200000115.6
34Q45.2Very low46Very low181 Ų181136.9 Ų136.985%0.84684%0.838SS**  trans58.7111.8141.2-69.216823.200119.8
35S45.1Very low46.4Very low121 Ų121133.3 Ų133.385%0.84683%0.832SS**  150.2130.2100.555.90000113.3
36G41.2Very low46.6Very low80 Ų80129.4 Ų129.483%0.82582%0.823SS**  trans48.4109.1148.400000121.4
37A42Very low46.2Very low107 Ų107131.1 Ų131.188%0.88483%0.829SS**  -175.3139.7125.200000111
38Q48.7Very low46.3Very low185 Ų185129.5 Ų129.586%0.86482%0.819SS**  trans-70.8166.7-178.2-69.6167.4-13.800113.5
39V49.9Very low46Very low143 Ų143129.1 Ų129.187%0.86782%0.817SS**  trans118108.7144-1710000116
40G42.7Very low45.6Very low68 Ų68126.8 Ų126.870%0.70182%0.819SS**  trans103.7115.8135.400000118.6
41P42.6Very low45.1Very low137 Ų137131.8 Ų131.889%0.8982%0.822SS**  trans-95.9148.4170.336.1-27.8000112
42G42.6Very low44.9Very low88 Ų88132 Ų13291%0.90782%0.823SS**  trans119.7110.6153.600000116
43G42.2Very low44.5Very low78 Ų78130.9 Ų130.980%0.80482%0.819SS**  trans-169.170.4171.400000112.3
44H50.1Low44.2Very low189 Ų189133.4 Ų133.488%0.87583%0.832SS**PPolyproline II helixtrans-88135162.2-104.9-88.3000109.3
45P53.4Low44.2Very low114 Ų114133.2 Ų133.274%0.7484%0.836SS**PPolyproline II helixtrans-79.8137.7179.730.4-31.2000111.5
46P49.1Very low44.1Very low107 Ų107135.3 Ų135.370%0.69584%0.837SS**PPolyproline II helixtrans-99130.9178.835.3-28000111.8
47W38.8Very low44.4Very low269 Ų269139.6 Ų139.6100%1.01984%0.839SS**  trans-101.896.2158.7-83.1-8.8000110
48C44.1Very low44.5Very low102 Ų102146 Ų14669%0.68984%0.841SS**  trans-25.2159.6148.3-71.80000115.5
49N41.9Very low44.1Very low156 Ų156140.6 Ų140.683%0.83483%0.834SS**  cis-179.5139-19-113.5-26.3000104
50G38.5Very low44Very low80 Ų80139.8 Ų139.883%0.82584%0.835SS**  trans-147.459.4-179.900000112.4
51R42.4Very low44.6Very low230 Ų230143.1 Ų143.187%0.86884%0.842SS**  trans6.3128.7163.6-75.4172.2179.7-108.4-2119.2
52S41.9Very low45.1Very low121 Ų121141.6 Ų141.685%0.84683%0.832SS**  -151.5145.7120.4-81.80000111
53P44Very low45.2Very low121 Ų121144.6 Ų144.679%0.78683%0.827SS**PPolyproline II helixtrans-100.3133-160.110.710.9000113
54S41.5Very low45.6Very low124 Ų124150 Ų15087%0.86783%0.831SS**PPolyproline II helixtrans-94.4119.6166.9-63.40000110.3
55L45.4Very low45.8Very low178 Ų178146.5 Ų146.593%0.93283%0.825SS**PPolyproline II helixtrans-81.9127.8165.5-80171.3000109.8
56L42.5Very low45.2Very low164 Ų164147.5 Ų147.586%0.85983%0.829SS**PPolyproline II helixtrans-72.5130.8173-72.3152.3000110.6
57I47.4Very low45Very low170 Ų170146.8 Ų146.887%0.87283%0.832SS**  trans-136129.2146.2-63.7-70.1000108.5
58R45Very low45.6Very low243 Ų243139.6 Ų139.692%0.91782%0.818SS**  trans-66.2153.5-178.1-107168.5160.7-158.6-4.4112.6
59G40Very low45.5Very low70 Ų70143.5 Ų143.572%0.72283%0.828SS**  trans-70.2169.1-169.300000117.9
60S48Very low45.6Very low126 Ų126146.7 Ų146.788%0.88183%0.828SS**  trans-163.1135141.3-73.40000107.5
61T54.6Low46Very low139 Ų139148.5 Ų148.585%0.85383%0.828SS**  trans-85.1-166.7-168.3530000112.2
62P52.8Low46.2Very low105 Ų105143.4 Ų143.468%0.68282%0.823SS**  -124.9165.1-90.936.9-18.5000111.8
63D44.9Very low46.5Very low150 Ų150144.8 Ų144.880%0.80282%0.821SS**  trans171.1113.1146.8-92.6-38.3000107.4
64H51Low46.4Very low193 Ų193144.5 Ų144.589%0.89482%0.817SS**  trans178.5149.4143.5-91.5-51.3000110.8
65P53.9Low46.7Very low114 Ų114149.2 Ų149.274%0.7482%0.816SS**  trans-81.9152.8-145.431.2-36000114.6A67P65-A67 PolarHBondContact O-N 3.4Å; P65-A67 VanDerWaalsContact O-N 3.08Å
66V41.5Very low46.4Very low136 Ų136146.4 Ų146.482%0.82481%0.806SS**  trans-45.4106.1172.4173.20000111.5
67A44.7Very low46.3Very low91 Ų91143.1 Ų143.175%0.75280%0.795SS**  trans-95.2103.2160.900000108.3P65 M69P65-A67 PolarHBondContact O-N 3.4Å; P65-A67 VanDerWaalsContact O-N 3.08Å; A67-M69 PolarHBondContact O-N 3.14Å
68T50.8Low46.5Very low118 Ų118141.6 Ų141.672%0.72479%0.793SS**  trans-51.4104171.5-48.30000110.2R70T68-R70 VanDerWaalsContact C-N 3.34Å; T68-R70 PolarHBondContact O-N 3.01Å
69M43.2Very low46.5Very low184 Ų184134.5 Ų134.591%0.90678%0.781SS**  trans-68.594.6168.5-80.3-161.8-80.300108.9A67 S71A67-M69 PolarHBondContact O-N 3.14Å; M69-S71 PolarHBondContact O-N 3.46Å
70R44.6Very low46.7Very low224 Ų224135.8 Ų135.885%0.84577%0.772SS**  trans-64.3117.9160.9-79.1-178.1163.4-154.8-3.4107.5T68 T72T68-R70 VanDerWaalsContact C-N 3.34Å; T68-R70 PolarHBondContact O-N 3.01Å; R70-T72 PolarHBondContact O-N 3.11Å
71S46.3Very low47Very low117 Ų117135 Ų13582%0.81876%0.763SS**  trans-53.6101.4171.6-79.90000110.5M69 N73M69-S71 PolarHBondContact O-N 3.46Å; S71-N73 PolarHBondContact O-N 3.32Å
72T46.4Very low46.6Very low124 Ų124136 Ų13676%0.76176%0.758SS**  trans-76.978.5160.542.20000107.6R70 T74R70-T72 PolarHBondContact O-N 3.11Å; T72-T74 PolarHBondContact O-N 3.43Å; T72-T74 PolarHBondContact O-OG1 3.45Å
73N47.7Very low46.4Very low149 Ų149142.4 Ų142.480%0.79777%0.769SS**  trans-73.559.6162.6-160.5-0.7000108.4S71 R75S71-N73 PolarHBondContact O-N 3.32Å; N73-R75 PolarHBondContact O-N 3.46Å
74T43.1Very low46.8Very low115 Ų115140.9 Ų140.971%0.70677%0.765SS**  trans-81.896.91719.90000106.6T72 T76T72-T74 PolarHBondContact O-N 3.43Å; T72-T74 PolarHBondContact O-OG1 3.45Å; T74-T76 PolarHBondContact O-N 3.32Å
75R47.3Very low46.5Very low223 Ų223135.8 Ų135.884%0.84276%0.757SS**  trans-35.8112.6164.6-62.8165.990.2-1697.6108.3N73 P77N73-R75 PolarHBondContact O-N 3.46Å; R75-P77 WeakPolarHBondContact O-CD 3.41Å; R75-P77 VanDerWaalsContact O-N 3.08Å
76T39.4Very low46.1Very low119 Ų119133 Ų13373%0.7375%0.748SS**  trans-55.5113.1164.122.20000106.9T74 T78T74-T76 PolarHBondContact O-N 3.32Å; T76-T78 VanDerWaalsContact C-N 3.31Å; T76-T78 PolarHBondContact O-N 3.25Å
77P40.3Very low46.1Very low96 Ų96129 Ų12962%0.62373%0.734SS**  trans-76.393.5176.430.5-26.3000105.7R75 S79R75-P77 WeakPolarHBondContact O-CD 3.41Å; R75-P77 VanDerWaalsContact O-N 3.08Å; P77-S79 PolarHBondContact O-N 3.47Å
78T50.5Low46.4Very low137 Ų137133.4 Ų133.484%0.8475%0.745SS**SBendtrans-7320.2169.965.70000111.7T76T76-T78 VanDerWaalsContact C-N 3.31Å; T76-T78 PolarHBondContact O-N 3.25Å
79S45.1Very low46.5Very low95 Ų95131 Ų13166%0.66475%0.745SS**  trans-136.558.1-175.365.20000108.4P77 P81P77-S79 PolarHBondContact O-N 3.47Å; S79-P81 VanDerWaalsContact O-CD 3.24Å; S79-P81 WeakPolarHBondContact O-CD 3.47Å
80D44Very low47.1Very low97 Ų97124.9 Ų124.952%0.51972%0.723SS.*  trans-96.198.6164.9-151.6-26.1000107.6E82D80-E82 PolarHBondContact O-N 3.14Å
81P54.3Low48.3Very low108 Ų108120.1 Ų120.170%0.70171%0.714SS**G310 helixtrans-65.5-11.7-179.226.6-31.6000112.5S79S79-P81 VanDerWaalsContact O-CD 3.24Å; S79-P81 WeakPolarHBondContact O-CD 3.47Å
82E47.3Very low49.9Very low160 Ų160118.6 Ų118.675%0.74869%0.693SS**G310 helixtrans-84.2-12.4-175.3-67.1-168.2127.200114.6D80 T84 A85D80-E82 PolarHBondContact O-N 3.14Å; E82-T84 PolarHBondContact O-N 2.93Å; E82-A85 PolarHBondContact O-N 3.39Å
83R48.8Very low51.7Low240 Ų240113.5 Ų113.591%0.90666%0.662SS**G310 helixtrans-72.4-7.6170.6-162.8176.4172.5107.21.6113.2
84T52.9Low53.7Low119 Ų119108.9 Ų108.973%0.7364%0.644SS**G310 helixtrans-112.516.3179.2-26.90000112.9E82 G86E82-T84 PolarHBondContact O-N 2.93Å; T84-G86 PolarHBondContact O-N 3.12Å
85A43.5Very low55.8Low86 Ų86103.7 Ų103.771%0.71161%0.613SS**  trans-74.560.1165.300000110.1E82 G87E82-A85 PolarHBondContact O-N 3.39Å; A85-G87 PolarHBondContact O-N 3.39Å; A85-G87 VanDerWaalsContact O-N 3.15Å
86G46.5Very low57.9Low54 Ų5496.7 Ų96.756%0.55760%0.595SS**  trans-67.5105.3156.900000106T84T84-G86 PolarHBondContact O-N 3.12Å
87G42.2Very low60.2Low52 Ų5293.6 Ų93.654%0.53657%0.57SS.*  trans-44.3149.5-17200000113.4A85 G89 A90A85-G87 PolarHBondContact O-N 3.39Å; A85-G87 VanDerWaalsContact O-N 3.15Å; G87-G89 PolarHBondContact O-N 3.29Å; G87-A90 PolarHBondContact O-N 2.98Å
88D51.4Low62.3Low184 Ų18492 Ų9298%0.98456%0.56SS**THydrogen-bonded Turntrans-6529.8-170.7-53.6-57.1000115.1
89G51.9Low63.7Low69 Ų6987.1 Ų87.171%0.71154%0.537SS*.THydrogen-bonded Turntrans-14315.8179.800000115.4G87 D91G87-G89 PolarHBondContact O-N 3.29Å; G89-D91 PolarHBondContact O-N 2.9Å
90A55.7Low65.6Low54 Ų5486.5 Ų86.545%0.44653%0.53SS..  trans-78.7116173.700000111.4G87 F92G87-A90 PolarHBondContact O-N 2.98Å; A90-F92 PolarHBondContact O-N 3.12Å
91D69.4Low67.8Low124 Ų12482.1 Ų82.166%0.66351%0.507SS*.  trans-56.493.7171.4-76.6-24.4000111.4G89 K125G89-D91 PolarHBondContact O-N 2.9Å; D91-K125 HydrophobicContact CB-CD 4.49Å; D91-K125 VanDerWaalsContact CB-NZ 3.26Å; D91-K125 WeakPolarHBondContact O-CD 3.38Å; D91-K125 IonicContact OD2-NZ 3.33Å; D91-K125 PolarHBondContact OD2-NZ 3.46Å
92F81.2Confident69.5Low85 Ų8585.2 Ų85.237%0.37350%0.504SS..PPolyproline II helixtrans-89.7147.7172.864.5-89.1000111A90 A94 E126 R128A90-F92 PolarHBondContact O-N 3.12Å; F92-A94 HydrophobicContact CE2-CB 4.34Å; F92-E126 CarbonylContact C-O 3.55Å; F92-E126 WeakPolarHBondContact CA-O 3.36Å; F92-E126 HydrophobicContact CB-CB 4.38Å; F92-E126 WeakPolarHBondContact CB-O 3.37Å; F92-R128 HydrophobicContact CB-CG 4.28Å; F92-R128 HydrophobicContact CD2-CB 3.88Å; F92-R128 HydrophobicContact CD2-CG 3.84Å; F92-R128 HydrophobicContact CE2-CB 4.29Å; F92-R128 HydrophobicContact CE2-CG 4.45Å; F92-R128 HydrophobicContact CG-CG 4.11Å
93V84.4Confident71.5Confident18 Ų1878.1 Ų78.111%0.10947%0.472CS..EExtended strand (participates in β ladder)trans-90.4120.6171.8171.10000108.9P104 F116 M120 K125 E126 V127 R128V93-P104 HydrophobicContact CB-CG 4.28Å; V93-P104 HydrophobicContact CG1-CG 3.6Å; V93-P104 HydrophobicContact CG2-CG 3.66Å; V93-F116 HydrophobicContact CG1-CZ 4.48Å; V93-M120 HydrophobicContact CB-CE 3.86Å; V93-M120 HydrophobicContact CG1-CE 3.99Å; V93-M120 HydrophobicContact CG2-CE 3.59Å; V93-K125 HydrophobicContact CG2-CB 4.05Å; V93-K125 HydrophobicContact CG2-CG 4.29Å; V93-E126 PolarHBondContact N-O 3.36Å; V93-V127 WeakPolarHBondContact O-CA 3.4Å; V93-R128 PolarHBondContact O-N 3.16Å
94A88Confident73.2Confident52 Ų5270.8 Ų70.843%0.4346%0.456SS..EExtended strand (participates in β ladder)trans-87.8124.9175.900000110.7F92 R128 L130F92-A94 HydrophobicContact CE2-CB 4.34Å; A94-R128 CarbonylContact C-O 3.02Å; A94-R128 WeakPolarHBondContact CA-O 3.44Å; A94-L130 HydrophobicContact CB-CD1 3.77Å; A94-L130 HydrophobicContact CB-CG 4.13Å
95A88Confident74.7Confident6 Ų669.4 Ų69.45%0.0544%0.444CS..EExtended strand (participates in β ladder)trans-120.8127.9-179.800000111.4F101 F116 V127 R128 F129 L130A95-F101 HydrophobicContact CB-CD1 4.07Å; A95-F116 HydrophobicContact CB-CD1 4.35Å; A95-F116 HydrophobicContact CB-CE1 3.5Å; A95-F116 VanDerWaalsContact CB-CE1 3.5Å; A95-F116 HydrophobicContact CB-CZ 4Å; A95-V127 HydrophobicContact CB-CG1 4.2Å; A95-R128 PolarHBondContact N-O 3.46Å; A95-F129 HydrophobicContact CB-CD1 4.33Å; A95-F129 HydrophobicContact CB-CE1 4.48Å; A95-F129 CarbonylContact O-C 3.46Å; A95-F129 VanDerWaalsContact O-CA 3.27Å; A95-F129 WeakPolarHBondContact O-CA 3.37Å; A95-L130 PolarHBondContact O-N 3.18Å
96T90.4Very high76.9Confident76 Ų7667.4 Ų67.447%0.46642%0.424SS..EExtended strand (participates in β ladder)trans-79134.5-177.1-54.70000111.7F101T96-F101 VanDerWaalsContact O-CE1 3.27Å; T96-F101 WeakPolarHBondContact O-CE1 3.44Å
97Y88.7Confident78.8Confident53 Ų5371.7 Ų71.721%0.20844%0.439CS..EExtended strand (participates in β ladder)trans-110.4132175.2-178.3-86.3000110.7F101 L130 G132 I141 V144 A145 Y148Y97-F101 HydrophobicContact CD2-CZ 4.1Å; Y97-L130 PolarHBondContact N-O 3.3Å; Y97-G132 PolarHBondContact O-N 3.44Å; Y97-I141 HydrophobicContact CE2-CD1 4.35Å; Y97-I141 HydrophobicContact CE2-CG1 4.48Å; Y97-V144 HydrophobicContact CD1-CG1 4.16Å; Y97-V144 HydrophobicContact CD1-CG2 4.2Å; Y97-V144 HydrophobicContact CD2-CG1 3.87Å; Y97-V144 HydrophobicContact CG-CG1 3.66Å; Y97-V144 HydrophobicContact CG-CG2 4.14Å; Y97-A145 HydrophobicContact CE1-CB 4.24Å; Y97-A145 HydrophobicContact CE2-CB 4.32Å; Y97-Y148 HydrophobicContact CD1-CD1 4.39Å; Y97-Y148 AromaticContact CD1-CD2 3.95Å; Y97-Y148 HydrophobicContact CD1-CD2 3.95Å; Y97-Y148 AromaticContact CD1-CG 3.79Å; Y97-Y148 HydrophobicContact CD1-CG 3.79Å; Y97-Y148 AromaticContact CE1-CD1 3.94Å; Y97-Y148 HydrophobicContact CE1-CD1 3.94Å; Y97-Y148 HydrophobicContact CE1-CD2 4.32Å; Y97-Y148 AromaticContact CE1-CG 3.72Å; Y97-Y148 HydrophobicContact CE1-CG 3.72Å
98P83.6Confident81Confident63 Ų6371.7 Ų71.741%0.40943%0.429SS..SBendcis-78.1160.74.4-3.624.1000111.6Y148P98-Y148 VanDerWaalsContact CD-CE2 3.48Å; P98-Y148 HydrophobicContact CG-CD1 4.5Å; P98-Y148 HydrophobicContact CG-CE1 3.79Å; P98-Y148 HydrophobicContact CG-CE2 3.93Å; P98-Y148 VanDerWaalsContact CG-CZ 3.45Å; P98-Y148 WeakPolarHBondContact CG-OH 3.4Å
99G81.3Confident82.8Confident34 Ų3467.3 Ų67.335%0.35141%0.405SS..SBendtrans-58.5170.2-179.300000113.9
100P84.9Confident84.5Confident82 Ų8265.7 Ų65.753%0.53238%0.379SS..PPolyproline II helixcis-83.8140.128.829.5-35.4000115.1I109P100-I109 HydrophobicContact CB-CG2 3.77Å
101F90.1Very high86Confident6 Ų667.9 Ų67.93%0.02639%0.391CS..EExtended strand (participates in β ladder)trans-92.6111.1177.5-51.7-75.1000110.1A95 T96 Y97 N110 A113 F116 F129A95-F101 HydrophobicContact CB-CD1 4.07Å; T96-F101 VanDerWaalsContact O-CE1 3.27Å; T96-F101 WeakPolarHBondContact O-CE1 3.44Å; Y97-F101 HydrophobicContact CD2-CZ 4.1Å; F101-N110 WeakPolarHBondContact CB-O 3.46Å; F101-N110 WeakPolarHBondContact CD2-O 3.35Å; F101-N110 PolarHBondContact N-O 3.35Å; F101-N110 PolarHBondContact O-N 2.93Å; F101-A113 HydrophobicContact CD2-CB 4.08Å; F101-A113 HydrophobicContact CE1-CB 4.43Å; F101-A113 HydrophobicContact CE2-CB 3.45Å; F101-A113 VanDerWaalsContact CE2-CB 3.45Å; F101-A113 HydrophobicContact CZ-CB 3.65Å; F101-F116 HydrophobicContact CB-CB 3.78Å; F101-F116 HydrophobicContact CB-CD1 3.8Å; F101-F116 HydrophobicContact CB-CD2 3.48Å; F101-F116 VanDerWaalsContact CB-CD2 3.48Å; F101-F116 HydrophobicContact CB-CE1 4.24Å; F101-F116 HydrophobicContact CB-CE2 3.96Å; F101-F116 HydrophobicContact CB-CG 3.39Å; F101-F116 HydrophobicContact CB-CZ 4.31Å; F101-F116 HydrophobicContact CD1-CD1 4.4Å; F101-F116 HydrophobicContact CD2-CB 4.28Å; F101-F116 HydrophobicContact CG-CB 4.15Å; F101-F116 HydrophobicContact CG-CD1 4.16Å; F101-F116 HydrophobicContact CG-CG 4.04Å; F101-F129 HydrophobicContact CD1-CE1 4.38Å; F101-F129 HydrophobicContact CE1-CD1 4.16Å; F101-F129 HydrophobicContact CE1-CE1 4Å
102R89.3Confident86.9Confident172 Ų17265.4 Ų65.465%0.64938%0.381SS*.EExtended strand (participates in β ladder)trans-97.8131.2179.9-59-177.1177.8-128.81.2109.6I109R102-I109 HydrophobicContact CG-CD1 4.34Å; R102-I109 HydrophobicContact CG-CG1 4.15Å; R102-I109 HydrophobicContact CG-CG2 4.3Å
103C88.6Confident87.3Confident11 Ų1161.7 Ų61.77%0.07437%0.366CS..  trans-73.6134.1170.7-174.80000109.8L105 T108 F116 H119 M120C103-L105 VanDerWaalsContact C-N 3.3Å; C103-L105 PolarHBondContact SG-N 3.46Å; C103-T108 WeakPolarHBondContact CB-OG1 3.47Å; C103-T108 PolarHBondContact N-O 2.95Å; C103-F116 HydrophobicContact CB-CE2 4.46Å; C103-H119 VanDerWaalsContact CB-NE2 3.31Å; C103-H119 WeakPolarHBondContact CB-NE2 3.37Å; C103-H119 PolarHBondContact SG-NE2 2.96Å; C103-M120 HydrophobicContact CB-SD 4.22Å
104P84.4Confident87.5Confident87 Ų8766.2 Ų66.257%0.56539%0.385SS*.SBendtrans-80.2-13.1173.231.4-34.4000113.1V93V93-P104 HydrophobicContact CB-CG 4.28Å; V93-P104 HydrophobicContact CG1-CG 3.6Å; V93-P104 HydrophobicContact CG2-CG 3.66Å
105L86.2Confident87.6Confident89 Ų8967.3 Ų67.347%0.46638%0.384SS..SBendtrans-100-15.2-176.5-60.4175.5000113.1C103 H123 K125C103-L105 VanDerWaalsContact C-N 3.3Å; C103-L105 PolarHBondContact SG-N 3.46Å; L105-H123 HydrophobicContact CD1-CB 3.47Å; L105-H123 VanDerWaalsContact CD1-CB 3.47Å; L105-K125 HydrophobicContact CD1-CG 3.86Å
106C89.3Confident87.7Confident44 Ų4467 Ų6730%0.29738%0.382SS..SBendtrans-153.1174.4175.468.60000111.2T108 H119C106-T108 PolarHBondContact O-N 3.14Å; C106-T108 VanDerWaalsContact SG-CG2 3.58Å; C106-T108 PolarHBondContact SG-OG1 3.19Å; C106-H119 PolarHBondContact SG-CE1 3.29Å; C106-H119 PolarHBondContact SG-NE2 3.08Å
107V86.7Confident87.7Confident144 Ų14465.6 Ų65.687%0.87337%0.371SS*.SBendtrans-80.17.6-174.4-164.30000112.5
108T87.1Confident87.8Confident52 Ų5268.1 Ų68.132%0.31939%0.385SS..  trans-71.4134.4-177.5620000111.5C103 C106 H119C103-T108 WeakPolarHBondContact CB-OG1 3.47Å; C103-T108 PolarHBondContact N-O 2.95Å; C106-T108 PolarHBondContact O-N 3.14Å; C106-T108 VanDerWaalsContact SG-CG2 3.58Å; C106-T108 PolarHBondContact SG-OG1 3.19Å; T108-H119 PolarHBondContact OG1-CD2 3.1Å; T108-H119 VanDerWaalsContact OG1-CD2 3.3Å; T108-H119 PolarHBondContact OG1-CE1 3.43Å; T108-H119 VanDerWaalsContact OG1-CE1 3.3Å; T108-H119 PolarHBondContact OG1-NE2 3.15Å
109I88.9Confident88.1Confident93 Ų9366.7 Ų66.748%0.47737%0.372SS..EExtended strand (participates in β ladder)trans-124.8119.9175-53.2-178.5000107.6P100 R102P100-I109 HydrophobicContact CB-CG2 3.77Å; R102-I109 HydrophobicContact CG-CD1 4.34Å; R102-I109 HydrophobicContact CG-CG1 4.15Å; R102-I109 HydrophobicContact CG-CG2 4.3Å
110N88.1Confident88.5Confident34 Ų3465.1 Ų65.118%0.18236%0.356CS..EExtended strand (participates in β ladder)trans-113.2127.3-179.8-67.745.7000108.2F101 N115 F116F101-N110 WeakPolarHBondContact CB-O 3.46Å; F101-N110 WeakPolarHBondContact CD2-O 3.35Å; F101-N110 PolarHBondContact N-O 3.35Å; F101-N110 PolarHBondContact O-N 2.93Å; N110-N115 VanDerWaalsContact ND2-C 3.3Å; N110-N115 VanDerWaalsContact ND2-CB 3.32Å; N110-N115 WeakPolarHBondContact ND2-CB 3.43Å; N110-N115 PolarHBondContact ND2-O 3.23Å; N110-F116 HydrophobicContact CB-CB 3.98Å
111S86.5Confident88.7Confident100 Ų10068.3 Ų68.370%0.69936%0.357SS*.SBendtrans-76.8-28.6172.555.30000111.8
112V89.6Confident88.7Confident72 Ų7272.3 Ų72.344%0.43639%0.386SS..SBendtrans-99.1122.5-180-177.30000109.8H114 N115 F116V112-H114 VanDerWaalsContact C-N 3.32Å; V112-H114 HydrophobicContact CG1-CB 4.15Å; V112-H114 PolarHBondContact O-N 3.29Å; V112-N115 HydrophobicContact CB-CB 4.45Å; V112-N115 PolarHBondContact O-N 3.36Å; V112-F116 PolarHBondContact O-N 3.07Å; V112-F116 VanDerWaalsContact O-N 3.07Å
113A88.5Confident88.6Confident7 Ų767 Ų676%0.05837%0.369CS..Hα-helixtrans-65.2-30.4-177.700000114.7F101 N115 F116 L117 F129 I141F101-A113 HydrophobicContact CD2-CB 4.08Å; F101-A113 HydrophobicContact CE1-CB 4.43Å; F101-A113 HydrophobicContact CE2-CB 3.45Å; F101-A113 VanDerWaalsContact CE2-CB 3.45Å; F101-A113 HydrophobicContact CZ-CB 3.65Å; A113-N115 VanDerWaalsContact C-N 3.34Å; A113-F116 WeakPolarHBondContact O-CB 3.33Å; A113-F116 PolarHBondContact O-N 3.49Å; A113-L117 WeakPolarHBondContact O-CG 3.37Å; A113-L117 PolarHBondContact O-N 2.96Å; A113-F129 HydrophobicContact CB-CE1 4.38Å; A113-I141 HydrophobicContact CB-CD1 3.01Å; A113-I141 HydrophobicContact CB-CG1 4.33Å
114H89Confident88.5Confident113 Ų11371.2 Ų71.252%0.52340%0.404SS..Hα-helixtrans-59.5-48.7173.8176.9-80.9000110.5V112 F116 L117 E118V112-H114 VanDerWaalsContact C-N 3.32Å; V112-H114 HydrophobicContact CG1-CB 4.15Å; V112-H114 PolarHBondContact O-N 3.29Å; H114-F116 VanDerWaalsContact C-N 3.26Å; H114-F116 PolarHBondContact O-N 3.35Å; H114-L117 PolarHBondContact O-N 3.19Å; H114-E118 IonicContact CE1-OE2 2.71Å; H114-E118 PolarHBondContact O-N 3.3Å
115N90.4Very high88.5Confident75 Ų7570.4 Ų70.440%0.40139%0.391SS..Hα-helixtrans-64.9-34.7178.1-59.20.6000110.9N110 V112 A113 E118 H119N110-N115 VanDerWaalsContact ND2-C 3.3Å; N110-N115 VanDerWaalsContact ND2-CB 3.32Å; N110-N115 WeakPolarHBondContact ND2-CB 3.43Å; N110-N115 PolarHBondContact ND2-O 3.23Å; V112-N115 HydrophobicContact CB-CB 4.45Å; V112-N115 PolarHBondContact O-N 3.36Å; A113-N115 VanDerWaalsContact C-N 3.34Å; N115-E118 PolarHBondContact O-N 3.48Å; N115-H119 VanDerWaalsContact O-CB 3.28Å; N115-H119 WeakPolarHBondContact O-CB 3.46Å; N115-H119 PolarHBondContact O-N 2.95Å
116F90.7Very high88.5Confident0 Ų070.9 Ų70.90%039%0.391CS..Hα-helixtrans-64.1-44.5173.1-179.3-109.7000112.3V93 A95 F101 C103 N110 V112 A113 H114 E118 H119 M120 V127V93-F116 HydrophobicContact CG1-CZ 4.48Å; A95-F116 HydrophobicContact CB-CD1 4.35Å; A95-F116 HydrophobicContact CB-CE1 3.5Å; A95-F116 VanDerWaalsContact CB-CE1 3.5Å; A95-F116 HydrophobicContact CB-CZ 4Å; F101-F116 HydrophobicContact CB-CB 3.78Å; F101-F116 HydrophobicContact CB-CD1 3.8Å; F101-F116 HydrophobicContact CB-CD2 3.48Å; F101-F116 VanDerWaalsContact CB-CD2 3.48Å; F101-F116 HydrophobicContact CB-CE1 4.24Å; F101-F116 HydrophobicContact CB-CE2 3.96Å; F101-F116 HydrophobicContact CB-CG 3.39Å; F101-F116 HydrophobicContact CB-CZ 4.31Å; F101-F116 HydrophobicContact CD1-CD1 4.4Å; F101-F116 HydrophobicContact CD2-CB 4.28Å; F101-F116 HydrophobicContact CG-CB 4.15Å; F101-F116 HydrophobicContact CG-CD1 4.16Å; F101-F116 HydrophobicContact CG-CG 4.04Å; C103-F116 HydrophobicContact CB-CE2 4.46Å; N110-F116 HydrophobicContact CB-CB 3.98Å; V112-F116 PolarHBondContact O-N 3.07Å; V112-F116 VanDerWaalsContact O-N 3.07Å; A113-F116 WeakPolarHBondContact O-CB 3.33Å; A113-F116 PolarHBondContact O-N 3.49Å; H114-F116 VanDerWaalsContact C-N 3.26Å; H114-F116 PolarHBondContact O-N 3.35Å; F116-E118 VanDerWaalsContact C-N 3.32Å; F116-E118 PolarHBondContact O-N 3.1Å; F116-H119 WeakPolarHBondContact O-CB 3.41Å; F116-H119 PolarHBondContact O-N 3.25Å; F116-M120 HydrophobicContact CD1-CG 4.19Å; F116-M120 HydrophobicContact CD2-CG 4.19Å; F116-M120 HydrophobicContact CE1-CG 3.78Å; F116-M120 HydrophobicContact CE2-CG 3.78Å; F116-M120 HydrophobicContact CE2-SD 3.84Å; F116-M120 HydrophobicContact CG-CG 4.39Å; F116-M120 HydrophobicContact CZ-CG 3.56Å; F116-M120 HydrophobicContact CZ-SD 3.82Å; F116-M120 VanDerWaalsContact O-CG 3.28Å; F116-M120 WeakPolarHBondContact O-CG 3.21Å; F116-M120 PolarHBondContact O-N 3.42Å; F116-V127 HydrophobicContact CD1-CG1 4.34Å; F116-V127 HydrophobicContact CE1-CG1 3.71Å; F116-V127 HydrophobicContact CE1-CG2 4.29Å
117L89.9Confident88.4Confident47 Ų4769.4 Ų69.425%0.24638%0.381CS..Hα-helixtrans-63.7-38.5176.3-73.8172.2000112.3A113 H114 M120 R121 V127 F129 I141A113-L117 WeakPolarHBondContact O-CG 3.37Å; A113-L117 PolarHBondContact O-N 2.96Å; H114-L117 PolarHBondContact O-N 3.19Å; L117-M120 PolarHBondContact O-N 3.5Å; L117-R121 WeakPolarHBondContact O-CG 3.4Å; L117-R121 PolarHBondContact O-N 2.99Å; L117-R121 VanDerWaalsContact O-N 3.1Å; L117-R121 PolarHBondContact O-NE 2.71Å; L117-V127 HydrophobicContact CD2-CB 3.84Å; L117-V127 HydrophobicContact CD2-CG1 4.06Å; L117-V127 HydrophobicContact CD2-CG2 4.22Å; L117-F129 HydrophobicContact CD1-CE2 4.23Å; L117-F129 HydrophobicContact CD1-CZ 4.01Å; L117-F129 HydrophobicContact CD2-CE2 3.93Å; L117-F129 HydrophobicContact CD2-CZ 3.75Å; L117-F129 HydrophobicContact CG-CE2 4.37Å; L117-F129 HydrophobicContact CG-CZ 3.88Å; L117-I141 HydrophobicContact CD1-CG2 4.48Å
118E90.2Very high88.6Confident105 Ų10566.1 Ų66.149%0.49135%0.353SS..Hα-helixtrans-65.5-41.2174-176.5169.2-165.400112.2H114 N115 F116 R121H114-E118 IonicContact CE1-OE2 2.71Å; H114-E118 PolarHBondContact O-N 3.3Å; N115-E118 PolarHBondContact O-N 3.48Å; F116-E118 VanDerWaalsContact C-N 3.32Å; F116-E118 PolarHBondContact O-N 3.1Å; E118-R121 VanDerWaalsContact CA-CZ 3.47Å; E118-R121 WeakPolarHBondContact O-CB 3.49Å; E118-R121 PolarHBondContact O-N 3.36Å
119H90.4Very high88.8Confident33 Ų3363.7 Ų63.715%0.15334%0.338CS..Hα-helixtrans-62.5-46.3172.4172.563.5000112C103 C106 T108 N115 F116 R121 S122 H123C103-H119 VanDerWaalsContact CB-NE2 3.31Å; C103-H119 WeakPolarHBondContact CB-NE2 3.37Å; C103-H119 PolarHBondContact SG-NE2 2.96Å; C106-H119 PolarHBondContact SG-CE1 3.29Å; C106-H119 PolarHBondContact SG-NE2 3.08Å; T108-H119 PolarHBondContact OG1-CD2 3.1Å; T108-H119 VanDerWaalsContact OG1-CD2 3.3Å; T108-H119 PolarHBondContact OG1-CE1 3.43Å; T108-H119 VanDerWaalsContact OG1-CE1 3.3Å; T108-H119 PolarHBondContact OG1-NE2 3.15Å; N115-H119 VanDerWaalsContact O-CB 3.28Å; N115-H119 WeakPolarHBondContact O-CB 3.46Å; N115-H119 PolarHBondContact O-N 2.95Å; F116-H119 WeakPolarHBondContact O-CB 3.41Å; F116-H119 PolarHBondContact O-N 3.25Å; H119-R121 PolarHBondContact O-N 3.09Å; H119-S122 WeakPolarHBondContact O-CB 3.41Å; H119-S122 PolarHBondContact O-N 3.18Å; H119-S122 PolarHBondContact O-OG 3.22Å; H119-H123 AromaticContact CE1-CD2 3.69Å; H119-H123 AromaticContact CE1-NE2 3.3Å; H119-H123 PolarHBondContact CE1-NE2 3.32Å; H119-H123 VanDerWaalsContact CE1-NE2 3.3Å; H119-H123 AromaticContact NE2-CD2 3.51Å; H119-H123 AromaticContact NE2-NE2 3.35Å; H119-H123 PolarHBondContact NE2-NE2 2.91Å
120M89.5Confident88.9Confident1 Ų161.2 Ų61.21%0.00533%0.326CS..Hα-helixtrans-67.2-22.8-179.6-67.7-56.3-53.100113.4V93 C103 F116 L117 S122 H123 A124 K125 V127V93-M120 HydrophobicContact CB-CE 3.86Å; V93-M120 HydrophobicContact CG1-CE 3.99Å; V93-M120 HydrophobicContact CG2-CE 3.59Å; C103-M120 HydrophobicContact CB-SD 4.22Å; F116-M120 HydrophobicContact CD1-CG 4.19Å; F116-M120 HydrophobicContact CD2-CG 4.19Å; F116-M120 HydrophobicContact CE1-CG 3.78Å; F116-M120 HydrophobicContact CE2-CG 3.78Å; F116-M120 HydrophobicContact CE2-SD 3.84Å; F116-M120 HydrophobicContact CG-CG 4.39Å; F116-M120 HydrophobicContact CZ-CG 3.56Å; F116-M120 HydrophobicContact CZ-SD 3.82Å; F116-M120 VanDerWaalsContact O-CG 3.28Å; F116-M120 WeakPolarHBondContact O-CG 3.21Å; F116-M120 PolarHBondContact O-N 3.42Å; L117-M120 PolarHBondContact O-N 3.5Å; M120-S122 VanDerWaalsContact C-N 3.29Å; M120-S122 PolarHBondContact O-N 2.88Å; M120-H123 PolarHBondContact O-N 3.18Å; M120-H123 VanDerWaalsContact O-N 3.16Å; M120-A124 PolarHBondContact O-N 3.2Å; M120-K125 HydrophobicContact CE-CB 3.9Å; M120-V127 HydrophobicContact CB-CG2 3.37Å; M120-V127 HydrophobicContact CE-CG2 4.37Å; M120-V127 HydrophobicContact CG-CG2 3.5Å; M120-V127 VanDerWaalsContact CG-CG2 3.5Å
121R89.7Confident89.1Confident149 Ų14959.6 Ų59.656%0.56232%0.317SS*.Hα-helixtrans-63.2-32170.1-80.2179.5-105.3134.1-7.8112.6L117 E118 H119 H123 A124L117-R121 WeakPolarHBondContact O-CG 3.4Å; L117-R121 PolarHBondContact O-N 2.99Å; L117-R121 VanDerWaalsContact O-N 3.1Å; L117-R121 PolarHBondContact O-NE 2.71Å; E118-R121 VanDerWaalsContact CA-CZ 3.47Å; E118-R121 WeakPolarHBondContact O-CB 3.49Å; E118-R121 PolarHBondContact O-N 3.36Å; H119-R121 PolarHBondContact O-N 3.09Å; R121-H123 PolarHBondContact O-N 3.09Å; R121-A124 PolarHBondContact O-N 3.4Å; R121-A124 VanDerWaalsContact O-N 3.14Å
122S89Confident89.2Confident90 Ų9057.1 Ų57.163%0.62931%0.307SS*.Hα-helixtrans-66.9-23.9175.576.10000112.5H119 M120H119-S122 WeakPolarHBondContact O-CB 3.41Å; H119-S122 PolarHBondContact O-N 3.18Å; H119-S122 PolarHBondContact O-OG 3.22Å; M120-S122 VanDerWaalsContact C-N 3.29Å; M120-S122 PolarHBondContact O-N 2.88Å
123H87.4Confident89.2Confident62 Ų6259.2 Ų59.229%0.28731%0.31SS..THydrogen-bonded Turntrans-91.7-0.8176.2-69.5-63.7000113.9L105 H119 M120 R121 K125L105-H123 HydrophobicContact CD1-CB 3.47Å; L105-H123 VanDerWaalsContact CD1-CB 3.47Å; H119-H123 AromaticContact CE1-CD2 3.69Å; H119-H123 AromaticContact CE1-NE2 3.3Å; H119-H123 PolarHBondContact CE1-NE2 3.32Å; H119-H123 VanDerWaalsContact CE1-NE2 3.3Å; H119-H123 AromaticContact NE2-CD2 3.51Å; H119-H123 AromaticContact NE2-NE2 3.35Å; H119-H123 PolarHBondContact NE2-NE2 2.91Å; M120-H123 PolarHBondContact O-N 3.18Å; M120-H123 VanDerWaalsContact O-N 3.16Å; R121-H123 PolarHBondContact O-N 3.09Å; H123-K125 HydrophobicContact CB-CG 4.44Å; H123-K125 PolarHBondContact O-N 3.37Å; H123-K125 VanDerWaalsContact O-N 3.1Å
124A87Confident89.2Confident98 Ų9862 Ų6281%0.8133%0.328SS*.THydrogen-bonded Turntrans51.729.6-175.800000114.4M120 R121M120-A124 PolarHBondContact O-N 3.2Å; R121-A124 PolarHBondContact O-N 3.4Å; R121-A124 VanDerWaalsContact O-N 3.14Å
125K83.6Confident89.2Confident70 Ų7060.8 Ų60.830%0.30433%0.332SS..  trans-102.5136.9176.8-71.2-75.3-177.7176.40110.5D91 V93 L105 M120 H123D91-K125 HydrophobicContact CB-CD 4.49Å; D91-K125 VanDerWaalsContact CB-NZ 3.26Å; D91-K125 WeakPolarHBondContact O-CD 3.38Å; D91-K125 IonicContact OD2-NZ 3.33Å; D91-K125 PolarHBondContact OD2-NZ 3.46Å; V93-K125 HydrophobicContact CG2-CB 4.05Å; V93-K125 HydrophobicContact CG2-CG 4.29Å; L105-K125 HydrophobicContact CD1-CG 3.86Å; M120-K125 HydrophobicContact CE-CB 3.9Å; H123-K125 HydrophobicContact CB-CG 4.44Å; H123-K125 PolarHBondContact O-N 3.37Å; H123-K125 VanDerWaalsContact O-N 3.1Å
126E87Confident89.1Confident100 Ų10062.9 Ų62.947%0.46734%0.338SS..  trans-73.8139.6171.3-168.7174.9-171.800109.9F92 V93F92-E126 CarbonylContact C-O 3.55Å; F92-E126 WeakPolarHBondContact CA-O 3.36Å; F92-E126 HydrophobicContact CB-CB 4.38Å; F92-E126 WeakPolarHBondContact CB-O 3.37Å; V93-E126 PolarHBondContact N-O 3.36Å
127V87.2Confident89.2Confident13 Ų1366.4 Ų66.48%0.07936%0.359CS..EExtended strand (participates in β ladder)trans-112.6130.3-177.9178.30000109.8V93 A95 F116 L117 M120 F129V93-V127 WeakPolarHBondContact O-CA 3.4Å; A95-V127 HydrophobicContact CB-CG1 4.2Å; F116-V127 HydrophobicContact CD1-CG1 4.34Å; F116-V127 HydrophobicContact CE1-CG1 3.71Å; F116-V127 HydrophobicContact CE1-CG2 4.29Å; L117-V127 HydrophobicContact CD2-CB 3.84Å; L117-V127 HydrophobicContact CD2-CG1 4.06Å; L117-V127 HydrophobicContact CD2-CG2 4.22Å; M120-V127 HydrophobicContact CB-CG2 3.37Å; M120-V127 HydrophobicContact CE-CG2 4.37Å; M120-V127 HydrophobicContact CG-CG2 3.5Å; M120-V127 VanDerWaalsContact CG-CG2 3.5Å; V127-F129 HydrophobicContact CG1-CE1 4.47Å; V127-F129 HydrophobicContact CG1-CE2 4.34Å; V127-F129 HydrophobicContact CG1-CZ 4.19Å
128R90.8Very high89.2Confident74 Ų7464.5 Ų64.528%0.27935%0.35SS..EExtended strand (participates in β ladder)trans-115.8143.3169.1-62.2-169.4179.51440110.4F92 V93 A94 A95 V137F92-R128 HydrophobicContact CB-CG 4.28Å; F92-R128 HydrophobicContact CD2-CB 3.88Å; F92-R128 HydrophobicContact CD2-CG 3.84Å; F92-R128 HydrophobicContact CE2-CB 4.29Å; F92-R128 HydrophobicContact CE2-CG 4.45Å; F92-R128 HydrophobicContact CG-CG 4.11Å; V93-R128 PolarHBondContact O-N 3.16Å; A94-R128 CarbonylContact C-O 3.02Å; A94-R128 WeakPolarHBondContact CA-O 3.44Å; A95-R128 PolarHBondContact N-O 3.46Å; R128-V137 HydrophobicContact CB-CG1 3.78Å; R128-V137 HydrophobicContact CG-CG1 4.36Å
129F91.2Very high89.1Confident1 Ų164 Ų640%0.00436%0.355CS..EExtended strand (participates in β ladder)trans-99.4131.4-177.9-65.6-83.9000111.5A95 F101 A113 L117 V127 C138 I141 V144A95-F129 HydrophobicContact CB-CD1 4.33Å; A95-F129 HydrophobicContact CB-CE1 4.48Å; A95-F129 CarbonylContact O-C 3.46Å; A95-F129 VanDerWaalsContact O-CA 3.27Å; A95-F129 WeakPolarHBondContact O-CA 3.37Å; F101-F129 HydrophobicContact CD1-CE1 4.38Å; F101-F129 HydrophobicContact CE1-CD1 4.16Å; F101-F129 HydrophobicContact CE1-CE1 4Å; A113-F129 HydrophobicContact CB-CE1 4.38Å; L117-F129 HydrophobicContact CD1-CE2 4.23Å; L117-F129 HydrophobicContact CD1-CZ 4.01Å; L117-F129 HydrophobicContact CD2-CE2 3.93Å; L117-F129 HydrophobicContact CD2-CZ 3.75Å; L117-F129 HydrophobicContact CG-CE2 4.37Å; L117-F129 HydrophobicContact CG-CZ 3.88Å; V127-F129 HydrophobicContact CG1-CE1 4.47Å; V127-F129 HydrophobicContact CG1-CE2 4.34Å; V127-F129 HydrophobicContact CG1-CZ 4.19Å; F129-C138 PolarHBondContact N-O 2.88Å; F129-C138 PolarHBondContact O-N 2.84Å; F129-I141 HydrophobicContact CD2-CB 4.36Å; F129-I141 HydrophobicContact CE2-CB 3.94Å; F129-I141 HydrophobicContact CZ-CB 4.05Å; F129-V144 HydrophobicContact CB-CB 3.89Å; F129-V144 HydrophobicContact CB-CG1 3.63Å; F129-V144 HydrophobicContact CB-CG2 4.24Å; F129-V144 HydrophobicContact CG-CG1 4.08Å
130L91.7Very high89.1Confident42 Ų4265.7 Ų65.722%0.2237%0.369CS..EExtended strand (participates in β ladder)trans-99.4136175.1-63.3174.1000110.2A94 A95 Y97 G132 V137A94-L130 HydrophobicContact CB-CD1 3.77Å; A94-L130 HydrophobicContact CB-CG 4.13Å; A95-L130 PolarHBondContact O-N 3.18Å; Y97-L130 PolarHBondContact N-O 3.3Å; L130-G132 PolarHBondContact O-N 3.1Å; L130-V137 HydrophobicContact CD2-CB 4.24Å; L130-V137 HydrophobicContact CD2-CG2 3.57Å
131C92.3Very high89.2Confident0 Ų068.4 Ų68.40%038%0.382CS..EExtended strand (participates in β ladder)trans-72.2121.7170.1-175.40000110.7K133 C134 S135 K136 V144 H147C131-K133 PolarHBondContact O-N 3.34Å; C131-C134 PolarHBondContact O-N 3.11Å; C131-S135 WeakPolarHBondContact O-CA 3.39Å; C131-S135 PolarHBondContact O-N 2.71Å; C131-K136 PolarHBondContact N-O 3.42Å; C131-K136 VanDerWaalsContact N-O 3.07Å; C131-V144 HydrophobicContact CB-CG2 4.25Å; C131-H147 VanDerWaalsContact SG-CD2 3.52Å
132G88.6Confident89.2Confident47 Ų4768 Ų6849%0.48539%0.386SS..THydrogen-bonded Turntrans-62.7-11.6176.400000115.5Y97 L130Y97-G132 PolarHBondContact O-N 3.44Å; L130-G132 PolarHBondContact O-N 3.1Å
133K88.7Confident89.3Confident117 Ų11765.5 Ų65.551%0.50937%0.369SS..THydrogen-bonded Turntrans-94.9-39.5179.2-70.8175.4179.7177.10114.3C131 Y148 C151C131-K133 PolarHBondContact O-N 3.34Å; K133-Y148 HydrophobicContact CD-CD2 4.31Å; K133-Y148 HydrophobicContact CD-CE2 4.09Å; K133-Y148 HydrophobicContact CG-CD2 4.35Å; K133-Y148 HydrophobicContact CG-CE2 3.87Å; K133-Y148 PolarHBondContact NZ-O 3.45Å; K133-C151 HydrophobicContact CB-CB 4.26Å; K133-C151 WeakPolarHBondContact CB-SG 3.35Å; K133-C151 HydrophobicContact CD-CB 3.96Å
134C89.7Confident89.5Confident64 Ų6462.5 Ų62.543%0.43236%0.355SS..THydrogen-bonded Turntrans-129.63.7-175.971.70000114.1C131 K136 H147 C151C131-C134 PolarHBondContact O-N 3.11Å; C134-K136 PolarHBondContact O-N 2.91Å; C134-K136 WeakPolarHBondContact SG-CB 3.48Å; C134-H147 PolarHBondContact SG-NE2 2.98Å; C134-C151 VanDerWaalsContact CB-SG 3.56Å; C134-C151 PolarHBondContact SG-SG 3.34Å
135S88.1Confident89.7Confident88 Ų8859.1 Ų59.162%0.61533%0.327SS*.  trans57.818.5-178.5-52.80000115C131 V137C131-S135 WeakPolarHBondContact O-CA 3.39Å; C131-S135 PolarHBondContact O-N 2.71Å; S135-V137 PolarHBondContact O-N 3.47Å
136K88.7Confident90Very high120 Ų12058.4 Ų58.452%0.52233%0.331SS..  trans-65.2126.5175.3-174.7177.1-177.9-176.80110.8C131 C134C131-K136 PolarHBondContact N-O 3.42Å; C131-K136 VanDerWaalsContact N-O 3.07Å; C134-K136 PolarHBondContact O-N 2.91Å; C134-K136 WeakPolarHBondContact SG-CB 3.48Å
137V92.1Very high90.2Very high73 Ų7355.9 Ų55.944%0.44232%0.318SS..EExtended strand (participates in β ladder)trans-73.6129.4174.2-1700000109.7R128 L130 S135R128-V137 HydrophobicContact CB-CG1 3.78Å; R128-V137 HydrophobicContact CG-CG1 4.36Å; L130-V137 HydrophobicContact CD2-CB 4.24Å; L130-V137 HydrophobicContact CD2-CG2 3.57Å; S135-V137 PolarHBondContact O-N 3.47Å
138C89.8Confident90.3Very high7 Ų758.4 Ų58.45%0.04733%0.327CS..EExtended strand (participates in β ladder)trans-127.9133.8178.6-66.90000108.9F129 T140 S143 V144F129-C138 PolarHBondContact N-O 2.88Å; F129-C138 PolarHBondContact O-N 2.84Å; C138-T140 VanDerWaalsContact C-N 3.31Å; C138-T140 PolarHBondContact O-N 3.04Å; C138-S143 WeakPolarHBondContact CB-OG 3.44Å; C138-V144 HydrophobicContact CB-CB 3.75Å; C138-V144 HydrophobicContact CB-CG2 4.37Å
139P89.3Confident90.3Very high94 Ų9458.3 Ų58.361%0.6134%0.338SS*.SBendtrans-72.2-24.7-176.728-34.6000112.9
140T89.9Confident90Very high70 Ų7065.4 Ų65.443%0.42937%0.369SS..SBendtrans-128.5153.9-175.5650000111.9C138 H142 S143 V144C138-T140 VanDerWaalsContact C-N 3.31Å; C138-T140 PolarHBondContact O-N 3.04Å; T140-H142 VanDerWaalsContact C-N 3.26Å; T140-H142 PolarHBondContact O-N 3.25Å; T140-S143 PolarHBondContact N-OG 2.86Å; T140-S143 PolarHBondContact O-N 3.39Å; T140-S143 PolarHBondContact O-OG 2.89Å; T140-S143 WeakPolarHBondContact OG1-CB 3.43Å; T140-S143 PolarHBondContact OG1-N 2.94Å; T140-S143 PolarHBondContact OG1-OG 3.44Å; T140-V144 PolarHBondContact O-N 3.13Å
141I90.7Very high89.8Confident58 Ų5864 Ų6430%0.29736%0.363SS..Hα-helixtrans-58.7-40.2173.2175155.4000112.1Y97 A113 L117 F129 S143 V144 A145Y97-I141 HydrophobicContact CE2-CD1 4.35Å; Y97-I141 HydrophobicContact CE2-CG1 4.48Å; A113-I141 HydrophobicContact CB-CD1 3.01Å; A113-I141 HydrophobicContact CB-CG1 4.33Å; L117-I141 HydrophobicContact CD1-CG2 4.48Å; F129-I141 HydrophobicContact CD2-CB 4.36Å; F129-I141 HydrophobicContact CE2-CB 3.94Å; F129-I141 HydrophobicContact CZ-CB 4.05Å; I141-S143 VanDerWaalsContact C-N 3.31Å; I141-S143 PolarHBondContact O-N 2.93Å; I141-V144 WeakPolarHBondContact O-CG1 3.4Å; I141-V144 PolarHBondContact O-N 3.3Å; I141-A145 WeakPolarHBondContact O-CB 3.36Å; I141-A145 PolarHBondContact O-N 3.11Å
142H90.4Very high89.2Confident139 Ų13967.8 Ų67.864%0.64440%0.401SS*.Hα-helixtrans-62.9-42.5-177.8-173.170.3000111.1T140 A145 C146T140-H142 VanDerWaalsContact C-N 3.26Å; T140-H142 PolarHBondContact O-N 3.25Å; H142-A145 PolarHBondContact O-N 2.72Å; H142-C146 WeakPolarHBondContact O-CB 3.32Å; H142-C146 PolarHBondContact O-N 3.25Å; H142-C146 PolarHBondContact O-SG 3.32Å; H142-C146 VanDerWaalsContact O-SG 3.35Å
143S91.3Very high88.5Confident38 Ų3874.6 Ų74.627%0.26641%0.412SS..Hα-helixtrans-64.3-42.817858.20000112.6C138 T140 I141 H147C138-S143 WeakPolarHBondContact CB-OG 3.44Å; T140-S143 PolarHBondContact N-OG 2.86Å; T140-S143 PolarHBondContact O-N 3.39Å; T140-S143 PolarHBondContact O-OG 2.89Å; T140-S143 WeakPolarHBondContact OG1-CB 3.43Å; T140-S143 PolarHBondContact OG1-N 2.94Å; T140-S143 PolarHBondContact OG1-OG 3.44Å; I141-S143 VanDerWaalsContact C-N 3.31Å; I141-S143 PolarHBondContact O-N 2.93Å; S143-H147 VanDerWaalsContact O-CB 3.25Å; S143-H147 WeakPolarHBondContact O-CB 3.31Å; S143-H147 PolarHBondContact O-N 3.01Å
144V91.9Very high87.4Confident0 Ų074.3 Ų74.30%042%0.422CS..Hα-helixtrans-67.4-37.517674.60000112.2Y97 F129 C131 C138 T140 I141 H147 Y148Y97-V144 HydrophobicContact CD1-CG1 4.16Å; Y97-V144 HydrophobicContact CD1-CG2 4.2Å; Y97-V144 HydrophobicContact CD2-CG1 3.87Å; Y97-V144 HydrophobicContact CG-CG1 3.66Å; Y97-V144 HydrophobicContact CG-CG2 4.14Å; F129-V144 HydrophobicContact CB-CB 3.89Å; F129-V144 HydrophobicContact CB-CG1 3.63Å; F129-V144 HydrophobicContact CB-CG2 4.24Å; F129-V144 HydrophobicContact CG-CG1 4.08Å; C131-V144 HydrophobicContact CB-CG2 4.25Å; C138-V144 HydrophobicContact CB-CB 3.75Å; C138-V144 HydrophobicContact CB-CG2 4.37Å; T140-V144 PolarHBondContact O-N 3.13Å; I141-V144 WeakPolarHBondContact O-CG1 3.4Å; I141-V144 PolarHBondContact O-N 3.3Å; V144-H147 PolarHBondContact O-N 2.85Å; V144-Y148 WeakPolarHBondContact O-CB 3.3Å; V144-Y148 PolarHBondContact O-N 2.86Å
145A91.2Very high86.1Confident26 Ų2677.2 Ų77.222%0.21544%0.438CS..Hα-helixtrans-67.7-45.5179.700000111.9Y97 I141 H142 H147 Y148 S149Y97-A145 HydrophobicContact CE1-CB 4.24Å; Y97-A145 HydrophobicContact CE2-CB 4.32Å; I141-A145 WeakPolarHBondContact O-CB 3.36Å; I141-A145 PolarHBondContact O-N 3.11Å; H142-A145 PolarHBondContact O-N 2.72Å; A145-H147 VanDerWaalsContact C-N 3.26Å; A145-H147 PolarHBondContact O-N 3.14Å; A145-Y148 PolarHBondContact O-N 2.88Å; A145-S149 PolarHBondContact O-N 2.93Å; A145-S149 PolarHBondContact O-OG 2.81Å
146C90.5Very high84.8Confident56 Ų5679 Ų7938%0.37845%0.445SS..Hα-helixtrans-62-36.6173.7-71.50000111.9H142 S149H142-C146 WeakPolarHBondContact O-CB 3.32Å; H142-C146 PolarHBondContact O-N 3.25Å; H142-C146 PolarHBondContact O-SG 3.32Å; H142-C146 VanDerWaalsContact O-SG 3.35Å; C146-S149 PolarHBondContact O-OG 2.86Å
147H90.7Very high83.3Confident46 Ų4683.5 Ų83.521%0.21346%0.459CS..Hα-helixtrans-71.3-47.1175.4173.371.2000112C131 C134 S143 V144 A145 S149 K150 C151C131-H147 VanDerWaalsContact SG-CD2 3.52Å; C134-H147 PolarHBondContact SG-NE2 2.98Å; S143-H147 VanDerWaalsContact O-CB 3.25Å; S143-H147 WeakPolarHBondContact O-CB 3.31Å; S143-H147 PolarHBondContact O-N 3.01Å; V144-H147 PolarHBondContact O-N 2.85Å; A145-H147 VanDerWaalsContact C-N 3.26Å; A145-H147 PolarHBondContact O-N 3.14Å; H147-S149 VanDerWaalsContact C-N 3.26Å; H147-S149 PolarHBondContact O-N 2.75Å; H147-K150 CarbonylContact O-C 3.57Å; H147-K150 WeakPolarHBondContact O-CA 3.34Å; H147-K150 PolarHBondContact O-N 2.7Å; H147-C151 WeakPolarHBondContact NE2-CB 3.42Å; H147-C151 PolarHBondContact NE2-SG 2.94Å; H147-C151 VanDerWaalsContact NE2-SG 3.38Å; H147-C151 WeakPolarHBondContact O-CA 3.15Å; H147-C151 VanDerWaalsContact O-CB 3.29Å; H147-C151 WeakPolarHBondContact O-CB 3.47Å; H147-C151 PolarHBondContact O-N 3.47Å
148Y89.9Confident81.7Confident66 Ų6685.2 Ų85.226%0.25947%0.474SS..Hα-helixtrans-56.3-37.3-174.2-176.3-95000113.4Y97 P98 K133 V144 A145 K150Y97-Y148 HydrophobicContact CD1-CD1 4.39Å; Y97-Y148 AromaticContact CD1-CD2 3.95Å; Y97-Y148 HydrophobicContact CD1-CD2 3.95Å; Y97-Y148 AromaticContact CD1-CG 3.79Å; Y97-Y148 HydrophobicContact CD1-CG 3.79Å; Y97-Y148 AromaticContact CE1-CD1 3.94Å; Y97-Y148 HydrophobicContact CE1-CD1 3.94Å; Y97-Y148 HydrophobicContact CE1-CD2 4.32Å; Y97-Y148 AromaticContact CE1-CG 3.72Å; Y97-Y148 HydrophobicContact CE1-CG 3.72Å; P98-Y148 VanDerWaalsContact CD-CE2 3.48Å; P98-Y148 HydrophobicContact CG-CD1 4.5Å; P98-Y148 HydrophobicContact CG-CE1 3.79Å; P98-Y148 HydrophobicContact CG-CE2 3.93Å; P98-Y148 VanDerWaalsContact CG-CZ 3.45Å; P98-Y148 WeakPolarHBondContact CG-OH 3.4Å; K133-Y148 HydrophobicContact CD-CD2 4.31Å; K133-Y148 HydrophobicContact CD-CE2 4.09Å; K133-Y148 HydrophobicContact CG-CD2 4.35Å; K133-Y148 HydrophobicContact CG-CE2 3.87Å; K133-Y148 PolarHBondContact NZ-O 3.45Å; V144-Y148 WeakPolarHBondContact O-CB 3.3Å; V144-Y148 PolarHBondContact O-N 2.86Å; A145-Y148 PolarHBondContact O-N 2.88Å; Y148-K150 VanDerWaalsContact C-N 3.34Å
149S89.1Confident80.2Confident72 Ų7290.4 Ų90.450%0.50351%0.505SS..Hα-helixtrans-68.2-29.8175.457.10000113.6A145 C146 H147A145-S149 PolarHBondContact O-N 2.93Å; A145-S149 PolarHBondContact O-OG 2.81Å; C146-S149 PolarHBondContact O-OG 2.86Å; H147-S149 VanDerWaalsContact C-N 3.26Å; H147-S149 PolarHBondContact O-N 2.75Å
150K86.5Confident78.7Confident150 Ų15097 Ų9765%0.65252%0.518SS*.Hα-helixtrans-102.3-9.2-179.8-59.7179.1-173.9-177.30113H147 Y148 G152 R153H147-K150 CarbonylContact O-C 3.57Å; H147-K150 WeakPolarHBondContact O-CA 3.34Å; H147-K150 PolarHBondContact O-N 2.7Å; Y148-K150 VanDerWaalsContact C-N 3.34Å; K150-G152 PolarHBondContact O-N 2.92Å; K150-R153 PolarHBondContact O-N 2.92Å
151C86.7Confident77.1Confident14 Ų14101.5 Ų101.510%0.09553%0.534CS..THydrogen-bonded Turntrans-65.6129.3-175.6-177.80000110.3K133 C134 H147 R153K133-C151 HydrophobicContact CB-CB 4.26Å; K133-C151 WeakPolarHBondContact CB-SG 3.35Å; K133-C151 HydrophobicContact CD-CB 3.96Å; C134-C151 VanDerWaalsContact CB-SG 3.56Å; C134-C151 PolarHBondContact SG-SG 3.34Å; H147-C151 WeakPolarHBondContact NE2-CB 3.42Å; H147-C151 PolarHBondContact NE2-SG 2.94Å; H147-C151 VanDerWaalsContact NE2-SG 3.38Å; H147-C151 WeakPolarHBondContact O-CA 3.15Å; H147-C151 VanDerWaalsContact O-CB 3.29Å; H147-C151 WeakPolarHBondContact O-CB 3.47Å; H147-C151 PolarHBondContact O-N 3.47Å; C151-R153 VanDerWaalsContact C-N 3.33Å
152G78.7Confident75.5Confident78 Ų78103.8 Ų103.880%0.80455%0.553SS**THydrogen-bonded Turntrans85.4-4.6-177.700000114.7K150K150-G152 PolarHBondContact O-N 2.92Å
153R74.2Confident73.8Confident191 Ų191108.9 Ų108.972%0.72157%0.566SS**SBendtrans-74.3130.5168.6-70.1-171.7-177.6-138.9-1.5108.9K150 C151 V155K150-R153 PolarHBondContact O-N 2.92Å; C151-R153 VanDerWaalsContact C-N 3.33Å; R153-V155 PolarHBondContact O-N 3.29Å
154P65.8Low72.3Confident111 Ų111113.3 Ų113.372%0.72159%0.586SS**  trans-57.5120167.824.6-31.1000106.7T156P154-T156 PolarHBondContact O-N 3.06Å
155V63.3Low70.1Confident125 Ų125118.2 Ų118.276%0.75863%0.626SS**  trans-66.793.8170.7-178.90000104.8R153 R157R153-V155 PolarHBondContact O-N 3.29Å; V155-R157 HydrophobicContact CG1-CG 3.97Å; V155-R157 PolarHBondContact O-N 3.44Å
156T59.6Low68.6Low126 Ų126121.8 Ų121.877%0.77365%0.645SS**  trans-62.195.6152.351.10000103.3P154 S158P154-T156 PolarHBondContact O-N 3.06Å; T156-S158 PolarHBondContact O-N 3.04Å
157R56.9Low66.8Low213 Ų213127.7 Ų127.780%0.80467%0.667SS**  trans-56.2100.7160.2-78.7178.569.2159.2-1.8102V155 V159V155-R157 HydrophobicContact CG1-CG 3.97Å; V155-R157 PolarHBondContact O-N 3.44Å; R157-V159 PolarHBondContact O-N 3.23Å
158S58.6Low64.7Low110 Ų110132.9 Ų132.977%0.76970%0.696SS**  trans-52101.9160.3179.80000102.5T156 R160T156-S158 PolarHBondContact O-N 3.04Å; S158-R160 PolarHBondContact O-N 3.44Å
159V59.7Low63.1Low115 Ų115139.5 Ų139.570%0.69772%0.721SS**  trans-46.6118.8177171.30000102.8R157 Q161R157-V159 PolarHBondContact O-N 3.23Å; V159-Q161 VanDerWaalsContact C-N 3.27Å; V159-Q161 PolarHBondContact O-N 3.33Å
160R56.4Low61.6Low234 Ų234139.9 Ų139.988%0.88372%0.722SS**  trans-47.9107.7172.6-79.5-178.1176.6168.8-1.6103.8S158 P162S158-R160 PolarHBondContact O-N 3.44Å; R160-P162 WeakPolarHBondContact O-CD 3.5Å
161Q58.1Low60.7Low164 Ų164140 Ų14077%0.76672%0.724SS**  trans-53124.4172.7-85.6176.6-40.400103.8V159 R163V159-Q161 VanDerWaalsContact C-N 3.27Å; V159-Q161 PolarHBondContact O-N 3.33Å; Q161-R163 PolarHBondContact O-N 3.16Å
162P55.6Low60.4Low106 Ų106141.1 Ų141.169%0.68873%0.73SS**  trans-48.8133.9168.8-19.429.9000105.5R160 I164R160-P162 WeakPolarHBondContact O-CD 3.5Å; P162-I164 VanDerWaalsContact C-N 3.3Å; P162-I164 PolarHBondContact O-N 3.07Å
163R55.2Low60.7Low246 Ų246139.9 Ų139.993%0.92871%0.707SS**  trans-50.2105.2173.7-72.3180-178.9168.6-1.2106Q161 A165Q161-R163 PolarHBondContact O-N 3.16Å; R163-A165 PolarHBondContact O-N 3.46Å; R163-A165 VanDerWaalsContact O-N 3.08Å
164I59.6Low61.5Low131 Ų131132.7 Ų132.767%0.67269%0.689SS**  trans-59.5119.2162.2-58.8174.6000101.9P162 V166P162-I164 VanDerWaalsContact C-N 3.3Å; P162-I164 PolarHBondContact O-N 3.07Å; I164-V166 HydrophobicContact CB-CG2 4.05Å; I164-V166 HydrophobicContact CG2-CG2 3.71Å; I164-V166 PolarHBondContact O-N 2.91Å
165A46.3Very low62.7Low103 Ų103127.6 Ų127.685%0.85166%0.655SS**  trans-66.371.8169.300000107R163R163-A165 PolarHBondContact O-N 3.46Å; R163-A165 VanDerWaalsContact O-N 3.08Å
166V58.3Low63.9Low100 Ų100126.7 Ų126.761%0.60665%0.65SS**  trans-71.4125.1161.7-179.10000103.8I164 D168I164-V166 HydrophobicContact CB-CG2 4.05Å; I164-V166 HydrophobicContact CG2-CG2 3.71Å; I164-V166 PolarHBondContact O-N 2.91Å; V166-D168 PolarHBondContact O-N 3.4Å
167E53.3Low65.3Low180 Ų180123.5 Ų123.584%0.84163%0.629SS**  trans-40.5134179.8-73-151.1141.500111.3R169E167-R169 PolarHBondContact O-N 2.8Å
168D46.6Very low66.9Low155 Ų155116.3 Ų116.383%0.82961%0.61SS**  trans-67.670.1-171.8-161.713.9000110.5V166 P170V166-D168 PolarHBondContact O-N 3.4Å; D168-P170 VanDerWaalsContact O-CD 3.28Å; D168-P170 WeakPolarHBondContact O-CD 3.36Å
169R55.6Low68.3Low206 Ų206113.1 Ų113.178%0.77760%0.595SS**  trans-90.1101.8154.7-170.9164.1167.4-175.7-4.9104.5E167 H171E167-R169 PolarHBondContact O-N 2.8Å; R169-H171 PolarHBondContact O-N 2.78Å; R169-H171 PolarHBondContact O-ND1 3.48Å
170P58.8Low69.7Low80 Ų80112.7 Ų112.752%0.51959%0.585SS.*  trans-56.7116.917325.1-32.9000104.8D168 T172D168-P170 VanDerWaalsContact O-CD 3.28Å; D168-P170 WeakPolarHBondContact O-CD 3.36Å; P170-T172 HydrophobicContact CB-CG2 4.02Å; P170-T172 HydrophobicContact CG-CG2 4.4Å; P170-T172 PolarHBondContact O-N 2.9Å
171H66.6Low71.4Confident153 Ų153109.7 Ų109.771%0.70857%0.574SS**  trans-71.367.2-179.9-72.469.1000107R169R169-H171 PolarHBondContact O-N 2.78Å; R169-H171 PolarHBondContact O-ND1 3.48Å
172T82.2Confident72.8Confident36 Ų36103.9 Ų103.922%0.22155%0.546CS..PPolyproline II helixtrans-82.6122.2176.755.90000106.6P170 R181 F182P170-T172 HydrophobicContact CB-CG2 4.02Å; P170-T172 HydrophobicContact CG-CG2 4.4Å; P170-T172 PolarHBondContact O-N 2.9Å; T172-R181 VanDerWaalsContact OG1-CZ 3.26Å; T172-R181 PolarHBondContact OG1-NE 3.02Å; T172-R181 PolarHBondContact OG1-NH2 3.39Å; T172-F182 CarbonylContact C-O 3.53Å; T172-F182 WeakPolarHBondContact CA-O 3.41Å
173V84Confident74.4Confident53 Ų53105 Ų10532%0.32155%0.551SS.*EExtended strand (participates in β ladder)trans-87.8121.1172.3-1690000106.6F182 A185 M188V173-F182 PolarHBondContact N-O 3.3Å; V173-F182 PolarHBondContact O-N 3.32Å; V173-A185 HydrophobicContact CG2-CB 4.21Å; V173-M188 HydrophobicContact CB-CB 4.31Å; V173-M188 HydrophobicContact CB-SD 4.37Å; V173-M188 HydrophobicContact CG1-CB 4.26Å; V173-M188 HydrophobicContact CG1-CE 4.3Å; V173-M188 HydrophobicContact CG1-CG 4.18Å; V173-M188 HydrophobicContact CG1-SD 3.35Å; V173-M188 WeakPolarHBondContact CG1-SD 3.1Å
174A90.8Very high76Confident40 Ų4097.1 Ų97.133%0.33153%0.531SS..EExtended strand (participates in β ladder)trans-87.2140.8177.300000110.3E180 R181A174-E180 CarbonylContact C-O 3.44Å; A174-E180 VanDerWaalsContact CA-O 3.26Å; A174-E180 WeakPolarHBondContact CA-O 3.43Å; A174-R181 HydrophobicContact CB-CG 4.44Å
175C90.2Very high77.5Confident3 Ų393.6 Ų93.62%0.0252%0.521CS..PPolyproline II helixtrans-63.1132.6168.2179.80000109.6D177 C178 G179 E180 F182 M188 H191 H196C175-D177 PolarHBondContact O-N 3.48Å; C175-D177 PolarHBondContact SG-N 3.14Å; C175-D177 VanDerWaalsContact SG-N 3.41Å; C175-C178 VanDerWaalsContact SG-SG 3.63Å; C175-G179 WeakPolarHBondContact O-CA 3.26Å; C175-G179 PolarHBondContact O-N 2.92Å; C175-E180 PolarHBondContact N-O 3.41Å; C175-F182 HydrophobicContact CB-CE2 4.19Å; C175-M188 HydrophobicContact CB-CG 4.45Å; C175-H191 PolarHBondContact SG-CD2 3.49Å; C175-H191 PolarHBondContact SG-NE2 3.32Å; C175-H196 VanDerWaalsContact SG-CD2 3.59Å
176T89.2Confident79.5Confident106 Ų10695.4 Ų95.465%0.6551%0.514SS*.THydrogen-bonded Turntrans-67.7-25.8177.849.40000112.9R192T176-R192 PolarHBondContact OG1-NE 2.85Å; T176-R192 PolarHBondContact OG1-NH2 2.91Å
177D88.9Confident81.1Confident59 Ų5991.9 Ų91.932%0.31650%0.497SS..THydrogen-bonded Turntrans-95-31.6-167.7-47.1-39.8000111.9C175 R192 H196C175-D177 PolarHBondContact O-N 3.48Å; C175-D177 PolarHBondContact SG-N 3.14Å; C175-D177 VanDerWaalsContact SG-N 3.41Å; D177-R192 IonicContact OD1-NH2 3.03Å; D177-R192 PolarHBondContact OD1-NH2 3.3Å; D177-R192 IonicContact OD2-CZ 3.88Å; D177-R192 VanDerWaalsContact OD2-CZ 3.26Å; D177-R192 IonicContact OD2-NE 3.42Å; D177-R192 PolarHBondContact OD2-NE 3.15Å; D177-R192 IonicContact OD2-NH2 2.88Å; D177-R192 PolarHBondContact OD2-NH2 2.85Å; D177-H196 HydrophobicContact CB-CB 4.16Å; D177-H196 IonicContact OD2-CG 3.3Å
178C91.8Very high83Confident62 Ų6284.5 Ų84.542%0.41946%0.463SS..THydrogen-bonded Turntrans-128.4-8.2177.566.90000115.6C175 E180 H191 H196C175-C178 VanDerWaalsContact SG-SG 3.63Å; C178-E180 VanDerWaalsContact C-N 3.31Å; C178-E180 PolarHBondContact O-N 2.84Å; C178-E180 PolarHBondContact SG-N 3.49Å; C178-H191 PolarHBondContact SG-CE1 3.23Å; C178-H191 PolarHBondContact SG-NE2 3.12Å; C178-H196 VanDerWaalsContact CB-NE2 3.29Å; C178-H196 WeakPolarHBondContact CB-NE2 3.28Å; C178-H196 PolarHBondContact SG-NE2 3.1Å
179G88Confident85.1Confident43 Ų4380.6 Ų80.644%0.44344%0.44SS..  trans78.41.3-179.100000116.2C175 R181C175-G179 WeakPolarHBondContact O-CA 3.26Å; C175-G179 PolarHBondContact O-N 2.92Å; G179-R181 PolarHBondContact O-N 3.18Å
180E88.1Confident86.8Confident106 Ų10675.1 Ų75.150%0.49543%0.425SS..  trans-58.4136.8176.1-77-161.2154.300111.6A174 C175 C178 F182 H191A174-E180 CarbonylContact C-O 3.44Å; A174-E180 VanDerWaalsContact CA-O 3.26Å; A174-E180 WeakPolarHBondContact CA-O 3.43Å; C175-E180 PolarHBondContact N-O 3.41Å; C178-E180 VanDerWaalsContact C-N 3.31Å; C178-E180 PolarHBondContact O-N 2.84Å; C178-E180 PolarHBondContact SG-N 3.49Å; E180-F182 HydrophobicContact CB-CE2 3.62Å; E180-F182 HydrophobicContact CB-CZ 3.74Å; E180-F182 WeakPolarHBondContact O-CD2 3.26Å; E180-F182 VanDerWaalsContact O-CE2 3.23Å; E180-F182 WeakPolarHBondContact O-CE2 3.31Å; E180-H191 IonicContact OE2-CE1 2.96Å; E180-H191 PolarHBondContact OE2-CE1 3.17Å; E180-H191 IonicContact OE2-ND1 3.79Å; E180-H191 PolarHBondContact OE2-ND1 2.84Å
181R91.3Very high88.4Confident172 Ų17272.2 Ų72.265%0.64941%0.405SS*.EExtended strand (participates in β ladder)trans-101.6124.8-172.2-58.3-174.378.795.1-4.9110.8T172 A174 G179T172-R181 VanDerWaalsContact OG1-CZ 3.26Å; T172-R181 PolarHBondContact OG1-NE 3.02Å; T172-R181 PolarHBondContact OG1-NH2 3.39Å; A174-R181 HydrophobicContact CB-CG 4.44Å; G179-R181 PolarHBondContact O-N 3.18Å
182F89Confident89.7Confident42 Ų4266 Ų6618%0.18438%0.375CS..EExtended strand (participates in β ladder)trans-114.8142.4-178.9-61-85.7000111.1T172 V173 C175 E180 T184 M188 H191T172-F182 CarbonylContact C-O 3.53Å; T172-F182 WeakPolarHBondContact CA-O 3.41Å; V173-F182 PolarHBondContact N-O 3.3Å; V173-F182 PolarHBondContact O-N 3.32Å; C175-F182 HydrophobicContact CB-CE2 4.19Å; E180-F182 HydrophobicContact CB-CE2 3.62Å; E180-F182 HydrophobicContact CB-CZ 3.74Å; E180-F182 WeakPolarHBondContact O-CD2 3.26Å; E180-F182 VanDerWaalsContact O-CE2 3.23Å; E180-F182 WeakPolarHBondContact O-CE2 3.31Å; F182-T184 PolarHBondContact O-N 3.45Å; F182-M188 HydrophobicContact CB-CB 4.01Å; F182-M188 VanDerWaalsContact CD2-CA 3.42Å; F182-M188 HydrophobicContact CD2-CB 3.56Å; F182-M188 HydrophobicContact CD2-CG 3.97Å; F182-M188 HydrophobicContact CE2-CB 4.39Å; F182-M188 HydrophobicContact CE2-CG 4.49Å; F182-M188 HydrophobicContact CG-CB 3.92Å; F182-H191 HydrophobicContact CD1-CB 4.46Å; F182-H191 HydrophobicContact CE1-CB 3.56Å; F182-H191 HydrophobicContact CE2-CB 3.73Å; F182-H191 AromaticContact CE2-CD2 3.74Å; F182-H191 AromaticContact CE2-CG 3.59Å; F182-H191 HydrophobicContact CZ-CB 3.16Å; F182-H191 AromaticContact CZ-CD2 3.78Å; F182-H191 AromaticContact CZ-CG 3.14Å; F182-H191 AromaticContact CZ-ND1 3.42Å; F182-H191 WeakPolarHBondContact CZ-ND1 3.44Å
183T88.8Confident90.2Very high128 Ų12870.8 Ų70.879%0.78539%0.389SS*.SBendtrans-70.9-13.2176.656.20000113.6
184T89.5Confident90.6Very high82 Ų8272.6 Ų72.650%0.50340%0.404SS..SBendtrans-142141.5-177.7-47.70000110.2F182 M186 G187 M188F182-T184 PolarHBondContact O-N 3.45Å; T184-M186 VanDerWaalsContact C-N 3.27Å; T184-M186 HydrophobicContact CG2-CB 4.16Å; T184-M186 PolarHBondContact O-N 3.3Å; T184-G187 WeakPolarHBondContact O-CA 3.5Å; T184-G187 PolarHBondContact O-N 3.39Å; T184-M188 PolarHBondContact O-N 3.48Å; T184-M188 VanDerWaalsContact O-N 3.14Å
185A89.4Confident90.6Very high57 Ų5773.2 Ų73.247%0.47141%0.409SS..Hα-helixtrans-57.6-37.1175.100000113.1V173 G187 M188 Q189V173-A185 HydrophobicContact CG2-CB 4.21Å; A185-G187 VanDerWaalsContact C-N 3.29Å; A185-G187 PolarHBondContact O-N 3.33Å; A185-M188 PolarHBondContact O-N 2.7Å; A185-Q189 PolarHBondContact O-N 3.31Å
186M90.3Very high90.7Very high141 Ų14174.4 Ų74.470%0.69542%0.415SS*.Hα-helixtrans-62.4-36.3173.9-174.463.173.300112.2T184 Q189 L190T184-M186 VanDerWaalsContact C-N 3.27Å; T184-M186 HydrophobicContact CG2-CB 4.16Å; T184-M186 PolarHBondContact O-N 3.3Å; M186-Q189 PolarHBondContact O-N 2.86Å; M186-L190 WeakPolarHBondContact O-CB 3.18Å; M186-L190 PolarHBondContact O-N 2.86Å
187G91.3Very high90.7Very high25 Ų2572.3 Ų72.326%0.25840%0.403SS..Hα-helixtrans-65.9-44.6176.100000111.7T184 A185 Q189 L190 H191T184-G187 WeakPolarHBondContact O-CA 3.5Å; T184-G187 PolarHBondContact O-N 3.39Å; A185-G187 VanDerWaalsContact C-N 3.29Å; A185-G187 PolarHBondContact O-N 3.33Å; G187-Q189 PolarHBondContact O-N 3.36Å; G187-L190 PolarHBondContact O-N 3.13Å; G187-H191 PolarHBondContact O-N 2.89Å
188M92.5Very high90.6Very high26 Ų2677.1 Ų77.113%0.12842%0.423CS..Hα-helixtrans-60.1-44.5172.5179.3-138.658.100111.5V173 C175 F182 T184 A185 L190 H191 R192V173-M188 HydrophobicContact CB-CB 4.31Å; V173-M188 HydrophobicContact CB-SD 4.37Å; V173-M188 HydrophobicContact CG1-CB 4.26Å; V173-M188 HydrophobicContact CG1-CE 4.3Å; V173-M188 HydrophobicContact CG1-CG 4.18Å; V173-M188 HydrophobicContact CG1-SD 3.35Å; V173-M188 WeakPolarHBondContact CG1-SD 3.1Å; C175-M188 HydrophobicContact CB-CG 4.45Å; F182-M188 HydrophobicContact CB-CB 4.01Å; F182-M188 VanDerWaalsContact CD2-CA 3.42Å; F182-M188 HydrophobicContact CD2-CB 3.56Å; F182-M188 HydrophobicContact CD2-CG 3.97Å; F182-M188 HydrophobicContact CE2-CB 4.39Å; F182-M188 HydrophobicContact CE2-CG 4.49Å; F182-M188 HydrophobicContact CG-CB 3.92Å; T184-M188 PolarHBondContact O-N 3.48Å; T184-M188 VanDerWaalsContact O-N 3.14Å; A185-M188 PolarHBondContact O-N 2.7Å; M188-L190 VanDerWaalsContact C-N 3.34Å; M188-L190 PolarHBondContact O-N 2.97Å; M188-H191 WeakPolarHBondContact O-CB 3.2Å; M188-H191 PolarHBondContact O-N 3.3Å; M188-R192 WeakPolarHBondContact O-CG 3.11Å; M188-R192 PolarHBondContact O-N 3.16Å
189Q90.6Very high90.5Very high73 Ų7377.8 Ų77.834%0.34142%0.42SS..Hα-helixtrans-65.1-37.3179.1-165.968.20.100112.4A185 M186 G187 R193 F200A185-Q189 PolarHBondContact O-N 3.31Å; M186-Q189 PolarHBondContact O-N 2.86Å; G187-Q189 PolarHBondContact O-N 3.36Å; Q189-R193 WeakPolarHBondContact O-CB 3.47Å; Q189-R193 PolarHBondContact O-N 2.98Å; Q189-F200 HydrophobicContact CG-CE2 3.89Å
190L92.3Very high90.5Very high91 Ų9177.3 Ų77.348%0.47641%0.406SS..Hα-helixtrans-64.3-45.3173.4175.764.2000110.9M186 G187 M188 R193 S194M186-L190 WeakPolarHBondContact O-CB 3.18Å; M186-L190 PolarHBondContact O-N 2.86Å; G187-L190 PolarHBondContact O-N 3.13Å; M188-L190 VanDerWaalsContact C-N 3.34Å; M188-L190 PolarHBondContact O-N 2.97Å; L190-R193 PolarHBondContact O-N 3.38Å; L190-S194 PolarHBondContact O-N 3.3Å; L190-S194 VanDerWaalsContact O-N 3.09Å; L190-S194 PolarHBondContact O-OG 3.36Å
191H92.8Very high90.5Very high19 Ų1976.2 Ų76.29%0.08840%0.404CS..Hα-helixtrans-59.4-48.8174.6160.493.1000111.4C175 C178 E180 F182 G187 M188 R193 S194 A195 H196C175-H191 PolarHBondContact SG-CD2 3.49Å; C175-H191 PolarHBondContact SG-NE2 3.32Å; C178-H191 PolarHBondContact SG-CE1 3.23Å; C178-H191 PolarHBondContact SG-NE2 3.12Å; E180-H191 IonicContact OE2-CE1 2.96Å; E180-H191 PolarHBondContact OE2-CE1 3.17Å; E180-H191 IonicContact OE2-ND1 3.79Å; E180-H191 PolarHBondContact OE2-ND1 2.84Å; F182-H191 HydrophobicContact CD1-CB 4.46Å; F182-H191 HydrophobicContact CE1-CB 3.56Å; F182-H191 HydrophobicContact CE2-CB 3.73Å; F182-H191 AromaticContact CE2-CD2 3.74Å; F182-H191 AromaticContact CE2-CG 3.59Å; F182-H191 HydrophobicContact CZ-CB 3.16Å; F182-H191 AromaticContact CZ-CD2 3.78Å; F182-H191 AromaticContact CZ-CG 3.14Å; F182-H191 AromaticContact CZ-ND1 3.42Å; F182-H191 WeakPolarHBondContact CZ-ND1 3.44Å; G187-H191 PolarHBondContact O-N 2.89Å; M188-H191 WeakPolarHBondContact O-CB 3.2Å; M188-H191 PolarHBondContact O-N 3.3Å; H191-R193 VanDerWaalsContact C-N 3.26Å; H191-R193 PolarHBondContact O-N 3.01Å; H191-S194 PolarHBondContact O-N 2.65Å; H191-S194 PolarHBondContact O-OG 2.88Å; H191-S194 VanDerWaalsContact O-OG 3.08Å; H191-A195 WeakPolarHBondContact O-CB 3.29Å; H191-A195 PolarHBondContact O-N 3.47Å; H191-H196 AromaticContact NE2-CD2 3.39Å; H191-H196 PolarHBondContact NE2-CD2 3.39Å; H191-H196 AromaticContact NE2-NE2 3.45Å; H191-H196 PolarHBondContact NE2-NE2 2.92Å
192R93.2Very high90.2Very high22 Ų2271.7 Ų71.78%0.08340%0.403CS..Hα-helixtrans-57.4-43.2178.1-71.2-169.176.7-157.4-1.8110.9T176 D177 M188 S194 H196 F200 D203T176-R192 PolarHBondContact OG1-NE 2.85Å; T176-R192 PolarHBondContact OG1-NH2 2.91Å; D177-R192 IonicContact OD1-NH2 3.03Å; D177-R192 PolarHBondContact OD1-NH2 3.3Å; D177-R192 IonicContact OD2-CZ 3.88Å; D177-R192 VanDerWaalsContact OD2-CZ 3.26Å; D177-R192 IonicContact OD2-NE 3.42Å; D177-R192 PolarHBondContact OD2-NE 3.15Å; D177-R192 IonicContact OD2-NH2 2.88Å; D177-R192 PolarHBondContact OD2-NH2 2.85Å; M188-R192 WeakPolarHBondContact O-CG 3.11Å; M188-R192 PolarHBondContact O-N 3.16Å; R192-S194 VanDerWaalsContact C-N 3.3Å; R192-S194 PolarHBondContact O-N 3.42Å; R192-H196 CarbonylContact O-C 3.39Å; R192-H196 VanDerWaalsContact O-CA 3.27Å; R192-H196 WeakPolarHBondContact O-CA 3.14Å; R192-H196 WeakPolarHBondContact O-CB 3.47Å; R192-H196 PolarHBondContact O-N 2.86Å; R192-F200 HydrophobicContact CB-CD2 3.87Å; R192-D203 IonicContact CZ-OD2 3.26Å; R192-D203 VanDerWaalsContact CZ-OD2 3.22Å; R192-D203 IonicContact NH1-OD2 3.77Å; R192-D203 PolarHBondContact NH1-OD2 3.3Å; R192-D203 IonicContact NH2-OD2 2.9Å; R192-D203 PolarHBondContact NH2-OD2 3.03Å
193R91.6Very high90Very high137 Ų13774.5 Ų74.552%0.51742%0.42SS..Hα-helixtrans-62.2-33.6177.2-175.3172.162.8-147.63.5113.6Q189 L190 H191 F200Q189-R193 WeakPolarHBondContact O-CB 3.47Å; Q189-R193 PolarHBondContact O-N 2.98Å; L190-R193 PolarHBondContact O-N 3.38Å; H191-R193 VanDerWaalsContact C-N 3.26Å; H191-R193 PolarHBondContact O-N 3.01Å; R193-F200 HydrophobicContact CB-CD1 4.34Å; R193-F200 HydrophobicContact CB-CD2 4.04Å; R193-F200 HydrophobicContact CB-CE1 4.22Å; R193-F200 HydrophobicContact CB-CE2 3.82Å; R193-F200 HydrophobicContact CB-CG 4.27Å; R193-F200 HydrophobicContact CB-CZ 3.96Å; R193-F200 HydrophobicContact CG-CD1 4.34Å; R193-F200 HydrophobicContact CG-CE1 4.07Å; R193-F200 HydrophobicContact CG-CZ 4.17Å
194S93Very high89.5Confident90 Ų9076.6 Ų76.663%0.62941%0.414SS*.Hα-helixtrans-92.4-40.8-177.756.20000114.3L190 H191 R192L190-S194 PolarHBondContact O-N 3.3Å; L190-S194 VanDerWaalsContact O-N 3.09Å; L190-S194 PolarHBondContact O-OG 3.36Å; H191-S194 PolarHBondContact O-N 2.65Å; H191-S194 PolarHBondContact O-OG 2.88Å; H191-S194 VanDerWaalsContact O-OG 3.08Å; R192-S194 VanDerWaalsContact C-N 3.3Å; R192-S194 PolarHBondContact O-N 3.42Å
195A91.8Very high88.9Confident54 Ų5477.8 Ų77.845%0.44642%0.422SS..Hα-helixtrans-93.4-29.3-174.400000112.9H191 P197H191-A195 WeakPolarHBondContact O-CB 3.29Å; H191-A195 PolarHBondContact O-N 3.47Å; A195-P197 WeakPolarHBondContact O-CD 3.23Å
196H90.8Very high88.2Confident28 Ų2884.7 Ų84.713%0.1344%0.436CS..  trans-127.356.9-176.5-60-65.5000111.1C175 D177 C178 H191 R192 E198 E199 F200C175-H196 VanDerWaalsContact SG-CD2 3.59Å; D177-H196 HydrophobicContact CB-CB 4.16Å; D177-H196 IonicContact OD2-CG 3.3Å; C178-H196 VanDerWaalsContact CB-NE2 3.29Å; C178-H196 WeakPolarHBondContact CB-NE2 3.28Å; C178-H196 PolarHBondContact SG-NE2 3.1Å; H191-H196 AromaticContact NE2-CD2 3.39Å; H191-H196 PolarHBondContact NE2-CD2 3.39Å; H191-H196 AromaticContact NE2-NE2 3.45Å; H191-H196 PolarHBondContact NE2-NE2 2.92Å; R192-H196 CarbonylContact O-C 3.39Å; R192-H196 VanDerWaalsContact O-CA 3.27Å; R192-H196 WeakPolarHBondContact O-CA 3.14Å; R192-H196 WeakPolarHBondContact O-CB 3.47Å; R192-H196 PolarHBondContact O-N 2.86Å; H196-E198 VanDerWaalsContact C-N 3.25Å; H196-E198 PolarHBondContact O-N 2.87Å; H196-E199 WeakPolarHBondContact CA-OE2 3.27Å; H196-E199 HydrophobicContact CB-CB 4.26Å; H196-E199 HydrophobicContact CB-CG 4.5Å; H196-E199 VanDerWaalsContact CB-OE2 3.23Å; H196-E199 WeakPolarHBondContact CB-OE2 3.47Å; H196-E199 PolarHBondContact O-N 3.15Å; H196-F200 WeakPolarHBondContact O-CB 3.36Å; H196-F200 PolarHBondContact O-N 2.84Å
197P89.5Confident87.5Confident62 Ų6285.2 Ų85.240%0.40344%0.437SS..Hα-helixtrans-64.2-30.2-172.827.3-35.3000112.6A195 N201A195-P197 WeakPolarHBondContact O-CD 3.23Å; P197-N201 WeakPolarHBondContact O-CB 3.45Å; P197-N201 PolarHBondContact O-N 3.24Å; P197-N201 VanDerWaalsContact O-N 3.12Å; P197-N201 PolarHBondContact O-ND2 3.49Å
198E87.6Confident86.8Confident160 Ų16093.4 Ų93.475%0.74847%0.466SS*.Hα-helixtrans-72.9-48.5-179.4-65.8-171.3178.100111H196 N201 A202H196-E198 VanDerWaalsContact C-N 3.25Å; H196-E198 PolarHBondContact O-N 2.87Å; E198-N201 PolarHBondContact O-N 3.44Å; E198-A202 WeakPolarHBondContact O-CB 3.28Å; E198-A202 PolarHBondContact O-N 3.03Å
199E88.3Confident86.2Confident76 Ų76100.6 Ų100.636%0.35550%0.496SS..Hα-helixtrans-65.1-45.4178.9-56.183171.900110.5H196 N201 A202 D203H196-E199 WeakPolarHBondContact CA-OE2 3.27Å; H196-E199 HydrophobicContact CB-CB 4.26Å; H196-E199 HydrophobicContact CB-CG 4.5Å; H196-E199 VanDerWaalsContact CB-OE2 3.23Å; H196-E199 WeakPolarHBondContact CB-OE2 3.47Å; H196-E199 PolarHBondContact O-N 3.15Å; E199-N201 VanDerWaalsContact C-N 3.27Å; E199-N201 PolarHBondContact O-N 3.49Å; E199-A202 PolarHBondContact O-N 3.39Å; E199-A202 VanDerWaalsContact O-N 3.14Å; E199-D203 PolarHBondContact O-N 3.32Å
200F88.3Confident85.9Confident32 Ų32101.1 Ų101.114%0.1451%0.513CS..Hα-helixtrans-57.7-39.6174.2-179.4-88.2000112.5Q189 R192 R193 H196 R204Q189-F200 HydrophobicContact CG-CE2 3.89Å; R192-F200 HydrophobicContact CB-CD2 3.87Å; R193-F200 HydrophobicContact CB-CD1 4.34Å; R193-F200 HydrophobicContact CB-CD2 4.04Å; R193-F200 HydrophobicContact CB-CE1 4.22Å; R193-F200 HydrophobicContact CB-CE2 3.82Å; R193-F200 HydrophobicContact CB-CG 4.27Å; R193-F200 HydrophobicContact CB-CZ 3.96Å; R193-F200 HydrophobicContact CG-CD1 4.34Å; R193-F200 HydrophobicContact CG-CE1 4.07Å; R193-F200 HydrophobicContact CG-CZ 4.17Å; H196-F200 WeakPolarHBondContact O-CB 3.36Å; H196-F200 PolarHBondContact O-N 2.84Å; F200-R204 PolarHBondContact O-N 2.96Å
201N87.8Confident85.6Confident84 Ų84105 Ų10545%0.44952%0.521SS..Hα-helixtrans-77.6-27.6178.3-74.8-31.1000112.9P197 E198 E199P197-N201 WeakPolarHBondContact O-CB 3.45Å; P197-N201 PolarHBondContact O-N 3.24Å; P197-N201 VanDerWaalsContact O-N 3.12Å; P197-N201 PolarHBondContact O-ND2 3.49Å; E198-N201 PolarHBondContact O-N 3.44Å; E199-N201 VanDerWaalsContact C-N 3.27Å; E199-N201 PolarHBondContact O-N 3.49Å
202A86.6Confident85.5Confident77 Ų77105.2 Ų105.264%0.63652%0.521SS*.Hα-helixtrans-71.4-41.6174.900000111.6E198 E199 R204E198-A202 WeakPolarHBondContact O-CB 3.28Å; E198-A202 PolarHBondContact O-N 3.03Å; E199-A202 PolarHBondContact O-N 3.39Å; E199-A202 VanDerWaalsContact O-N 3.14Å; A202-R204 PolarHBondContact O-N 3.08Å
203D83.2Confident85.4Confident100 Ų100106.4 Ų106.454%0.53553%0.533SS..Hα-helixtrans-68.5-22.7178.4-78.1-6.1000113.2R192 E199 P205R192-D203 IonicContact CZ-OD2 3.26Å; R192-D203 VanDerWaalsContact CZ-OD2 3.22Å; R192-D203 IonicContact NH1-OD2 3.77Å; R192-D203 PolarHBondContact NH1-OD2 3.3Å; R192-D203 IonicContact NH2-OD2 2.9Å; R192-D203 PolarHBondContact NH2-OD2 3.03Å; E199-D203 PolarHBondContact O-N 3.32Å; D203-P205 VanDerWaalsContact O-CD 3.26Å; D203-P205 WeakPolarHBondContact O-CD 3.49Å
204R80.2Confident85.5Confident173 Ų173108.2 Ų108.265%0.65355%0.545SS*.SBendtrans-70.6120.6-178.6-167.1173.6179.6-153-0.9109.7F200 A202 R206F200-R204 PolarHBondContact O-N 2.96Å; A202-R204 PolarHBondContact O-N 3.08Å; R204-R206 PolarHBondContact O-N 2.76Å
205P75.2Confident85.5Confident106 Ų106109.9 Ų109.969%0.68854%0.541SS*.  trans-56.2114.1173.7-22.132.4000109.2D203 E207D203-P205 VanDerWaalsContact O-CD 3.26Å; D203-P205 WeakPolarHBondContact O-CD 3.49Å; P205-E207 PolarHBondContact O-N 3.04Å
206R76.1Confident85.6Confident202 Ų202108.3 Ų108.376%0.76252%0.524SS*.  trans-75.885.6173.5-66.7-174.2-178.6-139.22.9107.5R204 K208R204-R206 PolarHBondContact O-N 2.76Å; R206-K208 VanDerWaalsContact C-N 3.32Å; R206-K208 PolarHBondContact O-N 3.32Å
207E74.5Confident85.8Confident153 Ų153108.1 Ų108.172%0.71553%0.525SS*.  trans-60.296.6169.1-71.3-178.1-174.400108.9P205 K209P205-E207 PolarHBondContact O-N 3.04Å; E207-K209 VanDerWaalsContact C-N 3.25Å; E207-K209 PolarHBondContact O-N 2.95Å
208K77.8Confident86.1Confident196 Ų196108.1 Ų108.185%0.85252%0.521SS*.  trans-74.384.1172.6-65.8178.7-174.1173.80107.7R206 A210R206-K208 VanDerWaalsContact C-N 3.32Å; R206-K208 PolarHBondContact O-N 3.32Å; K208-A210 PolarHBondContact O-N 2.7Å; K208-A210 VanDerWaalsContact O-N 3.11Å
209K79.2Confident86.3Confident178 Ų178100.6 Ų100.677%0.77449%0.487SS*.  trans-60.8115.2170.8-66.5-178.9-179-178.50108.1E207 R211E207-K209 VanDerWaalsContact C-N 3.25Å; E207-K209 PolarHBondContact O-N 2.95Å; K209-R211 PolarHBondContact O-N 3.08Å
210A84Confident86.6Confident83 Ų8397 Ų9769%0.68647%0.47SS*.  trans-58.9128.7177.100000109K208 W212K208-A210 PolarHBondContact O-N 2.7Å; K208-A210 VanDerWaalsContact O-N 3.11Å; A210-W212 PolarHBondContact O-N 2.92Å; A210-W212 VanDerWaalsContact O-N 3.14Å
211R87Confident86.9Confident172 Ų17295.5 Ų95.565%0.64946%0.463SS*.SBendtrans-59.3-26.1-179.4-178.5173.4178.4134.64.1113K209 M254K209-R211 PolarHBondContact O-N 3.08Å; R211-M254 HydrophobicContact CG-CE 4.25Å; R211-M254 VanDerWaalsContact NH2-CE 3.32Å; R211-M254 VanDerWaalsContact NH2-CG 3.34Å; R211-M254 PolarHBondContact NH2-SD 2.94Å
212W90Very high87.2Confident25 Ų2596.9 Ų96.910%0.09547%0.465CS..SBendtrans-114.5126.2177-7480.6000108.9A210 E216 V217 L220 R250 M254 I255 Q258A210-W212 PolarHBondContact O-N 2.92Å; A210-W212 VanDerWaalsContact O-N 3.14Å; W212-E216 HydrophobicContact CE3-CB 3.77Å; W212-E216 HydrophobicContact CZ3-CB 4.2Å; W212-V217 HydrophobicContact CB-CG2 3.73Å; W212-V217 HydrophobicContact CE3-CG2 4.19Å; W212-V217 HydrophobicContact CG-CG2 4.39Å; W212-L220 HydrophobicContact CH2-CD2 3.8Å; W212-L220 HydrophobicContact CZ3-CB 4.38Å; W212-L220 HydrophobicContact CZ3-CD2 3.9Å; W212-R250 HydrophobicContact CH2-CB 4.2Å; W212-R250 HydrophobicContact CH2-CG 3.97Å; W212-R250 HydrophobicContact CZ2-CG 4.41Å; W212-R250 HydrophobicContact CZ3-CG 4.36Å; W212-M254 HydrophobicContact CZ2-CB 4.07Å; W212-I255 HydrophobicContact CH2-CG1 4.04Å; W212-I255 HydrophobicContact CZ2-CG1 4.45Å; W212-Q258 HydrophobicContact CD2-CB 4.43Å; W212-Q258 HydrophobicContact CD2-CG 4.13Å; W212-Q258 HydrophobicContact CE3-CG 4.29Å; W212-Q258 HydrophobicContact CH2-CB 4.34Å; W212-Q258 HydrophobicContact CZ2-CB 3.88Å; W212-Q258 HydrophobicContact CZ2-CG 4.35Å; W212-Q258 HydrophobicContact CZ3-CG 4.49Å
213S91.5Very high87.5Confident47 Ų4793.5 Ų93.533%0.32944%0.436SS..  trans-73.1154169.173.50000110.1F215 E216 V217S213-F215 PolarHBondContact O-N 3.29Å; S213-E216 PolarHBondContact O-N 3.33Å; S213-E216 VanDerWaalsContact O-N 3.11Å; S213-E216 WeakPolarHBondContact OG-CB 3.41Å; S213-E216 WeakPolarHBondContact OG-CG 3.11Å; S213-E216 PolarHBondContact OG-N 3.42Å; S213-E216 VanDerWaalsContact OG-N 3.13Å; S213-E216 PolarHBondContact OG-OE1 3.3Å; S213-V217 WeakPolarHBondContact O-CG2 3.44Å; S213-V217 PolarHBondContact O-N 3.32Å; S213-V217 VanDerWaalsContact O-N 3.09Å
214K92.5Very high87.9Confident175 Ų17590.1 Ų90.176%0.76142%0.417SS*.Hα-helixtrans-55.9-39176.3-173.5179.6179.6-178.50111.5V217 L218K214-V217 PolarHBondContact O-N 3.14Å; K214-L218 HydrophobicContact CG-CD1 4.15Å; K214-L218 WeakPolarHBondContact O-CG 3.33Å; K214-L218 PolarHBondContact O-N 2.98Å; K214-L218 VanDerWaalsContact O-N 3.08Å
215F94.2Very high88.4Confident125 Ų12582.7 Ų82.755%0.54839%0.393SS..Hα-helixtrans-60.1-48.9175.3174.5-100.6000111.9S213 V217 L218 A219 H246 L248S213-F215 PolarHBondContact O-N 3.29Å; F215-V217 VanDerWaalsContact C-N 3.3Å; F215-V217 PolarHBondContact O-N 3.09Å; F215-L218 PolarHBondContact O-N 2.73Å; F215-A219 WeakPolarHBondContact O-CB 3.23Å; F215-A219 PolarHBondContact O-N 2.73Å; F215-H246 AromaticContact CZ-ND1 3.98Å; F215-L248 HydrophobicContact CD1-CD1 4.42Å; F215-L248 HydrophobicContact CE1-CD1 4.08Å
216E94.2Very high89.1Confident20 Ų2084 Ų849%0.09339%0.39CS..Hα-helixtrans-61.2-39179.2-73.3168.8-145.200112.6W212 S213 L220 L248 R250W212-E216 HydrophobicContact CE3-CB 3.77Å; W212-E216 HydrophobicContact CZ3-CB 4.2Å; S213-E216 PolarHBondContact O-N 3.33Å; S213-E216 VanDerWaalsContact O-N 3.11Å; S213-E216 WeakPolarHBondContact OG-CB 3.41Å; S213-E216 WeakPolarHBondContact OG-CG 3.11Å; S213-E216 PolarHBondContact OG-N 3.42Å; S213-E216 VanDerWaalsContact OG-N 3.13Å; S213-E216 PolarHBondContact OG-OE1 3.3Å; E216-L220 WeakPolarHBondContact O-CB 3.35Å; E216-L220 PolarHBondContact O-N 3.4Å; E216-L248 HydrophobicContact CB-CD1 4.47Å; E216-L248 HydrophobicContact CG-CD1 3.71Å; E216-L248 HydrophobicContact CG-CD2 4.15Å; E216-R250 IonicContact OE1-CZ 2.71Å; E216-R250 IonicContact OE1-NH2 3.3Å; E216-R250 PolarHBondContact OE1-NH2 3Å; E216-R250 IonicContact OE2-CZ 3.22Å; E216-R250 IonicContact OE2-NE 2.78Å; E216-R250 PolarHBondContact OE2-NE 2.92Å; E216-R250 IonicContact OE2-NH2 2.7Å; E216-R250 PolarHBondContact OE2-NH2 2.93Å
217V94.2Very high89.6Confident25 Ų2575.3 Ų75.315%0.15236%0.358CS..Hα-helixtrans-64.6-43.9177.1179.80000110.9W212 S213 K214 F215 A221 Q258 Y264 L267W212-V217 HydrophobicContact CB-CG2 3.73Å; W212-V217 HydrophobicContact CE3-CG2 4.19Å; W212-V217 HydrophobicContact CG-CG2 4.39Å; S213-V217 WeakPolarHBondContact O-CG2 3.44Å; S213-V217 PolarHBondContact O-N 3.32Å; S213-V217 VanDerWaalsContact O-N 3.09Å; K214-V217 PolarHBondContact O-N 3.14Å; F215-V217 VanDerWaalsContact C-N 3.3Å; F215-V217 PolarHBondContact O-N 3.09Å; V217-A221 WeakPolarHBondContact O-CB 3.38Å; V217-A221 PolarHBondContact O-N 3.15Å; V217-Q258 VanDerWaalsContact CG2-NE2 3.32Å; V217-Y264 HydrophobicContact CG1-CD2 3.91Å; V217-L267 HydrophobicContact CG1-CD2 3.99Å
218L94.8Very high90Very high61 Ų6172.1 Ų72.132%0.31935%0.351SS..Hα-helixtrans-66.1-44.8177.8-74.1166000112K214 F215 L220 A221 K222 L267K214-L218 HydrophobicContact CG-CD1 4.15Å; K214-L218 WeakPolarHBondContact O-CG 3.33Å; K214-L218 PolarHBondContact O-N 2.98Å; K214-L218 VanDerWaalsContact O-N 3.08Å; F215-L218 PolarHBondContact O-N 2.73Å; L218-L220 PolarHBondContact O-N 3.21Å; L218-A221 PolarHBondContact O-N 2.72Å; L218-K222 WeakPolarHBondContact O-CG 3.5Å; L218-K222 PolarHBondContact O-N 2.96Å; L218-L267 HydrophobicContact CD2-CD1 3.73Å; L218-L267 HydrophobicContact CD2-CD2 3.85Å; L218-L267 HydrophobicContact CD2-CG 4.27Å; L218-L267 HydrophobicContact CG-CD2 4.49Å
219A93.6Very high90Very high3 Ų367.9 Ų67.93%0.02535%0.352CS..Hα-helixtrans-56.4-50.3175.900000111.2F215 A221 K222 L223 L242 H246F215-A219 WeakPolarHBondContact O-CB 3.23Å; F215-A219 PolarHBondContact O-N 2.73Å; A219-A221 VanDerWaalsContact C-N 3.31Å; A219-A221 PolarHBondContact O-N 3.28Å; A219-K222 PolarHBondContact O-N 2.68Å; A219-L223 WeakPolarHBondContact O-CG 3.42Å; A219-L223 PolarHBondContact O-N 2.99Å; A219-L223 VanDerWaalsContact O-N 3.09Å; A219-L242 HydrophobicContact CB-CD1 4.14Å; A219-H246 WeakPolarHBondContact CB-NE2 3.34Å
220L94.2Very high90Very high0 Ų067 Ų670%036%0.356CS..Hα-helixtrans-61.2-39176.6-171.874.2000112W212 E216 L218 E224 L238 L242 I255 Q258 Y264W212-L220 HydrophobicContact CH2-CD2 3.8Å; W212-L220 HydrophobicContact CZ3-CB 4.38Å; W212-L220 HydrophobicContact CZ3-CD2 3.9Å; E216-L220 WeakPolarHBondContact O-CB 3.35Å; E216-L220 PolarHBondContact O-N 3.4Å; L218-L220 PolarHBondContact O-N 3.21Å; L220-E224 PolarHBondContact O-N 3.08Å; L220-E224 VanDerWaalsContact O-N 3.1Å; L220-L238 HydrophobicContact CD1-CB 3.96Å; L220-L238 HydrophobicContact CD1-CD1 4.3Å; L220-L238 HydrophobicContact CD1-CD2 4.4Å; L220-L238 HydrophobicContact CD1-CG 4.46Å; L220-L242 HydrophobicContact CB-CD1 4.35Å; L220-L242 HydrophobicContact CD1-CD1 4.38Å; L220-L242 HydrophobicContact CD1-CD2 4.39Å; L220-I255 HydrophobicContact CD1-CD1 4.43Å; L220-I255 HydrophobicContact CD1-CG1 4.2Å; L220-I255 HydrophobicContact CD1-CG2 4.02Å; L220-I255 HydrophobicContact CD2-CG2 4.2Å; L220-Q258 HydrophobicContact CD2-CB 4.21Å; L220-Q258 HydrophobicContact CD2-CG 4.1Å; L220-Y264 VanDerWaalsContact C-OH 3.31Å; L220-Y264 HydrophobicContact CB-CE2 4.12Å; L220-Y264 HydrophobicContact CD2-CE2 3.79Å; L220-Y264 HydrophobicContact CG-CE2 4.02Å; L220-Y264 WeakPolarHBondContact CG-OH 3.46Å; L220-Y264 PolarHBondContact O-OH 3.45Å
221A94.2Very high89.9Confident0 Ų065.5 Ų65.50%034%0.336CS..Hα-helixtrans-69.3-38.4179.500000112.7V217 L218 A219 E224 A225 Y264 L267 V268 L271V217-A221 WeakPolarHBondContact O-CB 3.38Å; V217-A221 PolarHBondContact O-N 3.15Å; L218-A221 PolarHBondContact O-N 2.72Å; A219-A221 VanDerWaalsContact C-N 3.31Å; A219-A221 PolarHBondContact O-N 3.28Å; A221-E224 PolarHBondContact O-N 3.01Å; A221-A225 WeakPolarHBondContact O-CB 3.37Å; A221-A225 PolarHBondContact O-N 2.95Å; A221-Y264 WeakPolarHBondContact CA-OH 3.44Å; A221-Y264 HydrophobicContact CB-CD2 4.3Å; A221-Y264 HydrophobicContact CB-CE2 3.7Å; A221-L267 HydrophobicContact CB-CB 4.5Å; A221-L267 HydrophobicContact CB-CD2 3.57Å; A221-L267 HydrophobicContact CB-CG 3.82Å; A221-V268 HydrophobicContact CB-CG2 3.81Å; A221-L271 HydrophobicContact CB-CD1 3.8Å
222K94Very high89.7Confident113 Ų11363.1 Ų63.149%0.49134%0.341SS..Hα-helixtrans-63.3-46.1174.8-74.9-178.6178.1-170.80111.7L218 A219 E224 A225 Q226 L271L218-K222 WeakPolarHBondContact O-CG 3.5Å; L218-K222 PolarHBondContact O-N 2.96Å; A219-K222 PolarHBondContact O-N 2.68Å; K222-E224 VanDerWaalsContact C-N 3.33Å; K222-E224 PolarHBondContact O-N 3.39Å; K222-A225 WeakPolarHBondContact O-CB 3.18Å; K222-A225 PolarHBondContact O-N 3.26Å; K222-Q226 WeakPolarHBondContact O-CG 2.76Å; K222-Q226 PolarHBondContact O-N 3.5Å; K222-Q226 VanDerWaalsContact O-N 3.16Å; K222-L271 HydrophobicContact CB-CD1 4.46Å; K222-L271 HydrophobicContact CG-CD1 3.74Å; K222-L271 HydrophobicContact CG-CD2 4.31Å
223L92.3Very high89.5Confident6 Ų665.8 Ų65.83%0.03136%0.357CS..Hα-helixtrans-60.7-42.6176-67.4173.5000111.4A219 A225 Q226 L227 L238 Q241 L242 V245A219-L223 WeakPolarHBondContact O-CG 3.42Å; A219-L223 PolarHBondContact O-N 2.99Å; A219-L223 VanDerWaalsContact O-N 3.09Å; L223-A225 VanDerWaalsContact C-N 3.34Å; L223-A225 PolarHBondContact O-N 3.01Å; L223-Q226 PolarHBondContact O-N 3.05Å; L223-L227 WeakPolarHBondContact O-CG 3.11Å; L223-L227 PolarHBondContact O-N 3.44Å; L223-L238 HydrophobicContact CB-CD2 3.77Å; L223-Q241 HydrophobicContact CD1-CB 3.87Å; L223-Q241 HydrophobicContact CD2-CB 4.15Å; L223-Q241 HydrophobicContact CG-CB 4.48Å; L223-L242 HydrophobicContact CD1-CB 4.24Å; L223-L242 HydrophobicContact CD1-CD1 4.07Å; L223-V245 HydrophobicContact CD2-CB 4.41Å; L223-V245 HydrophobicContact CD2-CG2 4.08Å
224E92.3Very high89.4Confident29 Ų2965.1 Ų65.114%0.13635%0.351CS..Hα-helixtrans-68.1-31.2176-174.5169.4172.600113.5L220 A221 K222 Q226 L227 L238 R259 Y264 V268L220-E224 PolarHBondContact O-N 3.08Å; L220-E224 VanDerWaalsContact O-N 3.1Å; A221-E224 PolarHBondContact O-N 3.01Å; K222-E224 VanDerWaalsContact C-N 3.33Å; K222-E224 PolarHBondContact O-N 3.39Å; E224-Q226 VanDerWaalsContact C-N 3.32Å; E224-L227 PolarHBondContact O-N 2.95Å; E224-L238 HydrophobicContact CB-CD1 4.17Å; E224-L238 HydrophobicContact CB-CD2 4Å; E224-L238 HydrophobicContact CG-CD1 4.45Å; E224-R259 VanDerWaalsContact CD-NE 3.3Å; E224-R259 IonicContact OE1-CZ 3.55Å; E224-R259 IonicContact OE1-NE 3.21Å; E224-R259 PolarHBondContact OE1-NE 2.74Å; E224-R259 IonicContact OE1-NH2 3.62Å; E224-R259 PolarHBondContact OE1-NH2 2.82Å; E224-R259 WeakPolarHBondContact OE2-CD 3.45Å; E224-R259 IonicContact OE2-CZ 2.86Å; E224-R259 IonicContact OE2-NE 2.75Å; E224-R259 PolarHBondContact OE2-NE 2.81Å; E224-R259 IonicContact OE2-NH2 2.86Å; E224-Y264 WeakPolarHBondContact OE2-CE1 3.2Å; E224-Y264 PolarHBondContact OE2-OH 3.46Å; E224-V268 HydrophobicContact CB-CG1 4.42Å; E224-V268 HydrophobicContact CB-CG2 4.2Å; E224-V268 HydrophobicContact CG-CG1 4.06Å; E224-V268 HydrophobicContact CG-CG2 4.36Å
225A91.5Very high89.3Confident18 Ų1858.2 Ų58.215%0.14932%0.323CS..Hα-helixtrans-64.4-38.7175.700000112.1A221 K222 L223 L227 L271 K272A221-A225 WeakPolarHBondContact O-CB 3.37Å; A221-A225 PolarHBondContact O-N 2.95Å; K222-A225 WeakPolarHBondContact O-CB 3.18Å; K222-A225 PolarHBondContact O-N 3.26Å; L223-A225 VanDerWaalsContact C-N 3.34Å; L223-A225 PolarHBondContact O-N 3.01Å; A225-L227 VanDerWaalsContact C-N 3.33Å; A225-L271 HydrophobicContact CB-CB 3.79Å; A225-K272 HydrophobicContact CB-CG 3.81Å
226Q88.4Confident89.2Confident133 Ų13357.5 Ų57.562%0.62132%0.321SS*.Hα-helixtrans-77.5-14180-67.8172.1-1.400113.8K222 L223 E224 P228K222-Q226 WeakPolarHBondContact O-CG 2.76Å; K222-Q226 PolarHBondContact O-N 3.5Å; K222-Q226 VanDerWaalsContact O-N 3.16Å; L223-Q226 PolarHBondContact O-N 3.05Å; E224-Q226 VanDerWaalsContact C-N 3.32Å; Q226-P228 WeakPolarHBondContact O-CD 3.46Å
227L87.6Confident89Confident19 Ų1959 Ų5910%0.09933%0.329CS..SBendtrans-76.3130.2-179.6-75.3173.8000112L223 E224 A225 I231 V234 I237 L238L223-L227 WeakPolarHBondContact O-CG 3.11Å; L223-L227 PolarHBondContact O-N 3.44Å; E224-L227 PolarHBondContact O-N 2.95Å; A225-L227 VanDerWaalsContact C-N 3.33Å; L227-I231 HydrophobicContact CB-CD1 4.18Å; L227-I231 HydrophobicContact CD2-CD1 3.76Å; L227-V234 HydrophobicContact CD1-CG1 3.97Å; L227-I237 HydrophobicContact CD1-CG2 4.2Å; L227-I237 HydrophobicContact CD2-CG2 3.81Å; L227-L238 HydrophobicContact CD1-CD2 3.68Å; L227-L238 HydrophobicContact CD1-CG 3.96Å
228P81.7Confident88.9Confident86 Ų8657.8 Ų57.856%0.55832%0.322SS*.  trans-51.5139.9169.6-25.526.5000113Q226 N230 I231Q226-P228 WeakPolarHBondContact O-CD 3.46Å; P228-N230 PolarHBondContact O-N 3.05Å; P228-N230 VanDerWaalsContact O-N 3.1Å; P228-I231 HydrophobicContact CB-CD1 3.9Å; P228-I231 HydrophobicContact CB-CG1 4.1Å; P228-I231 VanDerWaalsContact CD-CD1 3.43Å; P228-I231 HydrophobicContact CG-CD1 3.82Å; P228-I231 HydrophobicContact CG-CG1 4.49Å; P228-I231 WeakPolarHBondContact O-CG1 3.4Å; P228-I231 PolarHBondContact O-N 3.49Å
229A78.2Confident88.8Confident107 Ų10756.4 Ų56.488%0.88432%0.317SS*.THydrogen-bonded Turntrans-63.5-20.3-174.600000114.6I231A229-I231 PolarHBondContact O-N 3.09Å
230N80.2Confident88.7Confident160 Ų16062.4 Ų62.486%0.85634%0.342SS*.THydrogen-bonded Turntrans-96.727.9-174.8-162.99000113.8P228P228-N230 PolarHBondContact O-N 3.05Å; P228-N230 VanDerWaalsContact O-N 3.1Å
231I81Confident88.6Confident51 Ų5164.7 Ų64.726%0.26235%0.353SS..  trans-92.2125.7-176-71.2177.2000111.1L227 P228 A229 V234 I237L227-I231 HydrophobicContact CB-CD1 4.18Å; L227-I231 HydrophobicContact CD2-CD1 3.76Å; P228-I231 HydrophobicContact CB-CD1 3.9Å; P228-I231 HydrophobicContact CB-CG1 4.1Å; P228-I231 VanDerWaalsContact CD-CD1 3.43Å; P228-I231 HydrophobicContact CG-CD1 3.82Å; P228-I231 HydrophobicContact CG-CG1 4.49Å; P228-I231 WeakPolarHBondContact O-CG1 3.4Å; P228-I231 PolarHBondContact O-N 3.49Å; A229-I231 PolarHBondContact O-N 3.09Å; I231-V234 HydrophobicContact CB-CG2 4.5Å; I231-V234 HydrophobicContact CG2-CG2 4.27Å; I231-V234 VanDerWaalsContact O-CG2 3.3Å; I231-V234 WeakPolarHBondContact O-CG2 3.49Å; I231-I237 HydrophobicContact CG2-CD1 3.18Å
232T82.3Confident88.6Confident122 Ų12264.7 Ų64.775%0.74835%0.353SS*.SBendtrans-77.315016757.80000110V234 I237T232-V234 PolarHBondContact O-N 3.35Å; T232-I237 WeakPolarHBondContact O-CD1 3.42Å
233N87Confident88.5Confident81 Ų8163.6 Ų63.643%0.43335%0.352SS..  trans59.941.8175.1-150.8-16.3000115.9N235 Q236 I237N233-N235 PolarHBondContact O-N 3.24Å; N233-Q236 VanDerWaalsContact CG-CD 3.42Å; N233-Q236 PolarHBondContact ND2-NE2 2.89Å; N233-Q236 VanDerWaalsContact ND2-NE2 3.17Å; N233-Q236 PolarHBondContact ND2-OE1 3.03Å; N233-Q236 PolarHBondContact O-N 3.01Å; N233-Q236 VanDerWaalsContact O-N 3.16Å; N233-Q236 WeakPolarHBondContact OD1-CB 3.42Å; N233-Q236 WeakPolarHBondContact OD1-CG 3.42Å; N233-Q236 PolarHBondContact OD1-NE2 3.48Å; N233-I237 PolarHBondContact O-N 3.45Å
234V89.5Confident88.4Confident33 Ų3369.4 Ų69.420%0.238%0.379CS..Hα-helixtrans-50.7-36.5-179.8-174.90000113.3L227 I231 T232 I237 L238L227-V234 HydrophobicContact CD1-CG1 3.97Å; I231-V234 HydrophobicContact CB-CG2 4.5Å; I231-V234 HydrophobicContact CG2-CG2 4.27Å; I231-V234 VanDerWaalsContact O-CG2 3.3Å; I231-V234 WeakPolarHBondContact O-CG2 3.49Å; T232-V234 PolarHBondContact O-N 3.35Å; V234-I237 PolarHBondContact O-N 2.93Å; V234-L238 HydrophobicContact CG1-CD1 3.83Å; V234-L238 HydrophobicContact CG1-CG 4.17Å; V234-L238 WeakPolarHBondContact O-CB 3.41Å; V234-L238 VanDerWaalsContact O-CG 3.28Å; V234-L238 WeakPolarHBondContact O-CG 3.38Å; V234-L238 PolarHBondContact O-N 3.08Å
235N90.3Very high88.3Confident31 Ų3172.3 Ų72.317%0.16640%0.399CS..Hα-helixtrans-69.2-37.3-176.8-62.8-39.9000113.5N233 S239 V252 R259N233-N235 PolarHBondContact O-N 3.24Å; N235-S239 WeakPolarHBondContact O-CB 3.39Å; N235-S239 PolarHBondContact O-N 3.27Å; N235-V252 HydrophobicContact CB-CG1 3.56Å; N235-R259 VanDerWaalsContact OD1-CD 3.31Å; N235-R259 WeakPolarHBondContact OD1-CD 3.45Å; N235-R259 PolarHBondContact OD1-NH1 2.89Å
236Q91.3Very high88.2Confident110 Ų11074.5 Ų74.551%0.51441%0.406SS..Hα-helixtrans-71.4-38.7177.2-71.9177.915.100110.7N233 S239 K240 V252N233-Q236 VanDerWaalsContact CG-CD 3.42Å; N233-Q236 PolarHBondContact ND2-NE2 2.89Å; N233-Q236 VanDerWaalsContact ND2-NE2 3.17Å; N233-Q236 PolarHBondContact ND2-OE1 3.03Å; N233-Q236 PolarHBondContact O-N 3.01Å; N233-Q236 VanDerWaalsContact O-N 3.16Å; N233-Q236 WeakPolarHBondContact OD1-CB 3.42Å; N233-Q236 WeakPolarHBondContact OD1-CG 3.42Å; N233-Q236 PolarHBondContact OD1-NE2 3.48Å; Q236-S239 WeakPolarHBondContact O-CB 3.34Å; Q236-S239 PolarHBondContact O-N 3.44Å; Q236-K240 PolarHBondContact O-N 3.05Å; Q236-V252 HydrophobicContact CG-CG1 4.4Å; Q236-V252 HydrophobicContact CG-CG2 4.16Å
237I91.4Very high88.3Confident51 Ų5171 Ų7126%0.26241%0.405SS..Hα-helixtrans-63-47.3176.5-65.1165.8000110.5L227 I231 T232 N233 V234 S239 K240 Q241L227-I237 HydrophobicContact CD1-CG2 4.2Å; L227-I237 HydrophobicContact CD2-CG2 3.81Å; I231-I237 HydrophobicContact CG2-CD1 3.18Å; T232-I237 WeakPolarHBondContact O-CD1 3.42Å; N233-I237 PolarHBondContact O-N 3.45Å; V234-I237 PolarHBondContact O-N 2.93Å; I237-S239 VanDerWaalsContact C-N 3.29Å; I237-S239 PolarHBondContact O-N 2.92Å; I237-K240 PolarHBondContact O-N 3.19Å; I237-K240 VanDerWaalsContact O-N 3.15Å; I237-Q241 HydrophobicContact CG2-CG 4.34Å; I237-Q241 WeakPolarHBondContact O-CG 3.49Å; I237-Q241 PolarHBondContact O-N 3.04Å
238L92.1Very high88.4Confident0 Ų071.8 Ų71.80%041%0.409CS..Hα-helixtrans-61.4-38.1175.2-72.6173.8000112.1L220 L223 E224 L227 V234 K240 L242 I255L220-L238 HydrophobicContact CD1-CB 3.96Å; L220-L238 HydrophobicContact CD1-CD1 4.3Å; L220-L238 HydrophobicContact CD1-CD2 4.4Å; L220-L238 HydrophobicContact CD1-CG 4.46Å; L223-L238 HydrophobicContact CB-CD2 3.77Å; E224-L238 HydrophobicContact CB-CD1 4.17Å; E224-L238 HydrophobicContact CB-CD2 4Å; E224-L238 HydrophobicContact CG-CD1 4.45Å; L227-L238 HydrophobicContact CD1-CD2 3.68Å; L227-L238 HydrophobicContact CD1-CG 3.96Å; V234-L238 HydrophobicContact CG1-CD1 3.83Å; V234-L238 HydrophobicContact CG1-CG 4.17Å; V234-L238 WeakPolarHBondContact O-CB 3.41Å; V234-L238 VanDerWaalsContact O-CG 3.28Å; V234-L238 WeakPolarHBondContact O-CG 3.38Å; V234-L238 PolarHBondContact O-N 3.08Å; L238-K240 VanDerWaalsContact C-N 3.31Å; L238-K240 PolarHBondContact O-N 3.03Å; L238-L242 WeakPolarHBondContact O-CB 3.36Å; L238-L242 PolarHBondContact O-N 3.26Å; L238-I255 HydrophobicContact CB-CG2 4.2Å; L238-I255 HydrophobicContact CD1-CG2 4.22Å
239S91.9Very high88.8Confident31 Ų3172.8 Ų72.822%0.21741%0.414CS..Hα-helixtrans-61.4-40.5175.4-169.90000112.2N235 Q236 I237 L243 R250 I255N235-S239 WeakPolarHBondContact O-CB 3.39Å; N235-S239 PolarHBondContact O-N 3.27Å; Q236-S239 WeakPolarHBondContact O-CB 3.34Å; Q236-S239 PolarHBondContact O-N 3.44Å; I237-S239 VanDerWaalsContact C-N 3.29Å; I237-S239 PolarHBondContact O-N 2.92Å; S239-L243 PolarHBondContact O-N 3.07Å; S239-R250 PolarHBondContact OG-O 3.18Å; S239-I255 VanDerWaalsContact CA-CD1 3.45Å
240K92.5Very high89.3Confident129 Ų12971 Ų7156%0.56138%0.384SS*.Hα-helixtrans-71.6-48.1178.5-177.2176171.3178.70111.4Q236 I237 L238 L242 L243 E244Q236-K240 PolarHBondContact O-N 3.05Å; I237-K240 PolarHBondContact O-N 3.19Å; I237-K240 VanDerWaalsContact O-N 3.15Å; L238-K240 VanDerWaalsContact C-N 3.31Å; L238-K240 PolarHBondContact O-N 3.03Å; K240-L242 VanDerWaalsContact C-N 3.34Å; K240-L242 PolarHBondContact O-N 2.92Å; K240-L243 WeakPolarHBondContact O-CB 3.47Å; K240-L243 PolarHBondContact O-N 3.12Å; K240-L243 VanDerWaalsContact O-N 3.16Å; K240-E244 WeakPolarHBondContact CE-OE1 3.46Å; K240-E244 HydrophobicContact CG-CG 4.43Å; K240-E244 IonicContact NZ-OE1 3.75Å; K240-E244 WeakPolarHBondContact O-CG 3.43Å; K240-E244 PolarHBondContact O-N 3.44Å
241Q91.7Very high89.9Confident49 Ų4967.8 Ų67.823%0.22937%0.367CS..Hα-helixtrans-65.5-35.6179-72.4-173.4-4.600112.9L223 I237 L243 E244 V245L223-Q241 HydrophobicContact CD1-CB 3.87Å; L223-Q241 HydrophobicContact CD2-CB 4.15Å; L223-Q241 HydrophobicContact CG-CB 4.48Å; I237-Q241 HydrophobicContact CG2-CG 4.34Å; I237-Q241 WeakPolarHBondContact O-CG 3.49Å; I237-Q241 PolarHBondContact O-N 3.04Å; Q241-L243 PolarHBondContact O-N 2.93Å; Q241-E244 PolarHBondContact O-N 3.35Å; Q241-V245 WeakPolarHBondContact O-CB 3.49Å; Q241-V245 WeakPolarHBondContact O-CG2 3.45Å; Q241-V245 PolarHBondContact O-N 2.7Å
242L92.7Very high90.4Very high0 Ų067.7 Ų67.70%037%0.369CS..Hα-helixtrans-64.3-32.6176.6-165.574.7000111.3A219 L220 L223 L238 K240 H246 G247 L248 R250A219-L242 HydrophobicContact CB-CD1 4.14Å; L220-L242 HydrophobicContact CB-CD1 4.35Å; L220-L242 HydrophobicContact CD1-CD1 4.38Å; L220-L242 HydrophobicContact CD1-CD2 4.39Å; L223-L242 HydrophobicContact CD1-CB 4.24Å; L223-L242 HydrophobicContact CD1-CD1 4.07Å; L238-L242 WeakPolarHBondContact O-CB 3.36Å; L238-L242 PolarHBondContact O-N 3.26Å; K240-L242 VanDerWaalsContact C-N 3.34Å; K240-L242 PolarHBondContact O-N 2.92Å; L242-H246 WeakPolarHBondContact O-CB 3.27Å; L242-H246 PolarHBondContact O-N 2.97Å; L242-G247 PolarHBondContact O-N 3.5Å; L242-L248 CarbonylContact C-O 3.48Å; L242-L248 HydrophobicContact CD1-CD1 4.23Å; L242-L248 HydrophobicContact CD2-CB 4.15Å; L242-L248 HydrophobicContact CG-CB 3.89Å; L242-L248 HydrophobicContact CG-CD1 4.41Å; L242-L248 PolarHBondContact O-N 3.39Å; L242-L248 VanDerWaalsContact O-N 3.13Å; L242-R250 HydrophobicContact CD2-CB 4.01Å; L242-R250 HydrophobicContact CD2-CG 3.73Å
243L92Very high90.8Very high90 Ų9069.3 Ų69.347%0.47137%0.368SS..Hα-helixtrans-73.6-47.8172.1179.860000111.8S239 K240 Q241 G247 T249S239-L243 PolarHBondContact O-N 3.07Å; K240-L243 WeakPolarHBondContact O-CB 3.47Å; K240-L243 PolarHBondContact O-N 3.12Å; K240-L243 VanDerWaalsContact O-N 3.16Å; Q241-L243 PolarHBondContact O-N 2.93Å; L243-G247 WeakPolarHBondContact O-CA 3.34Å; L243-G247 PolarHBondContact O-N 2.74Å; L243-T249 HydrophobicContact CD1-CG2 3.76Å
244E91.3Very high91.1Very high127 Ų12767 Ų6759%0.59336%0.355SS*.Hα-helixtrans-68.1-43.2-175.5-72.8173.7169.200113.2K240 Q241K240-E244 WeakPolarHBondContact CE-OE1 3.46Å; K240-E244 HydrophobicContact CG-CG 4.43Å; K240-E244 IonicContact NZ-OE1 3.75Å; K240-E244 WeakPolarHBondContact O-CG 3.43Å; K240-E244 PolarHBondContact O-N 3.44Å; Q241-E244 PolarHBondContact O-N 3.35Å
245V90.8Very high91.3Very high91 Ų9165.4 Ų65.455%0.55235%0.345SS*.Hα-helixtrans-87.4-38.2-174.6-179.30000111.9L223 Q241L223-V245 HydrophobicContact CD2-CB 4.41Å; L223-V245 HydrophobicContact CD2-CG2 4.08Å; Q241-V245 WeakPolarHBondContact O-CB 3.49Å; Q241-V245 WeakPolarHBondContact O-CG2 3.45Å; Q241-V245 PolarHBondContact O-N 2.7Å
246H88.7Confident91.4Very high64 Ų6468.7 Ų68.730%0.29636%0.358SS..Hα-helixtrans-117.5-4-171.3-62.9-66.3000114.6F215 A219 L242 L248F215-H246 AromaticContact CZ-ND1 3.98Å; A219-H246 WeakPolarHBondContact CB-NE2 3.34Å; L242-H246 WeakPolarHBondContact O-CB 3.27Å; L242-H246 PolarHBondContact O-N 2.97Å; H246-L248 HydrophobicContact CB-CB 4.46Å; H246-L248 HydrophobicContact CB-CD1 3.76Å; H246-L248 HydrophobicContact CB-CG 4Å; H246-L248 PolarHBondContact O-N 3.37Å
247G89.3Confident91.5Very high58 Ų5865.2 Ų65.260%0.59835%0.351SS*.  trans66.620.1-177.600000113.9L242 L243L242-G247 PolarHBondContact O-N 3.5Å; L243-G247 WeakPolarHBondContact O-CA 3.34Å; L243-G247 PolarHBondContact O-N 2.74Å
248L90Very high91.5Very high36 Ų3663.3 Ų63.319%0.18834%0.341CS..  trans-103.7122-171.9-70.3169.6000111.4F215 E216 L242 H246F215-L248 HydrophobicContact CD1-CD1 4.42Å; F215-L248 HydrophobicContact CE1-CD1 4.08Å; E216-L248 HydrophobicContact CB-CD1 4.47Å; E216-L248 HydrophobicContact CG-CD1 3.71Å; E216-L248 HydrophobicContact CG-CD2 4.15Å; L242-L248 CarbonylContact C-O 3.48Å; L242-L248 HydrophobicContact CD1-CD1 4.23Å; L242-L248 HydrophobicContact CD2-CB 4.15Å; L242-L248 HydrophobicContact CG-CB 3.89Å; L242-L248 HydrophobicContact CG-CD1 4.41Å; L242-L248 PolarHBondContact O-N 3.39Å; L242-L248 VanDerWaalsContact O-N 3.13Å; H246-L248 HydrophobicContact CB-CB 4.46Å; H246-L248 HydrophobicContact CB-CD1 3.76Å; H246-L248 HydrophobicContact CB-CG 4Å; H246-L248 PolarHBondContact O-N 3.37Å
249T90.1Very high91.5Very high107 Ų10765.9 Ų65.966%0.65635%0.351SS*.  trans-94.8115.3178.254.90000111.6L243L243-T249 HydrophobicContact CD1-CG2 3.76Å
250R89.9Confident91.5Very high69 Ų6972.6 Ų72.626%0.2637%0.372SS..  trans-137.3138.4176-61.9-67.6177.1-140.210.2109.1W212 E216 S239 L242 I255W212-R250 HydrophobicContact CH2-CB 4.2Å; W212-R250 HydrophobicContact CH2-CG 3.97Å; W212-R250 HydrophobicContact CZ2-CG 4.41Å; W212-R250 HydrophobicContact CZ3-CG 4.36Å; E216-R250 IonicContact OE1-CZ 2.71Å; E216-R250 IonicContact OE1-NH2 3.3Å; E216-R250 PolarHBondContact OE1-NH2 3Å; E216-R250 IonicContact OE2-CZ 3.22Å; E216-R250 IonicContact OE2-NE 2.78Å; E216-R250 PolarHBondContact OE2-NE 2.92Å; E216-R250 IonicContact OE2-NH2 2.7Å; E216-R250 PolarHBondContact OE2-NH2 2.93Å; S239-R250 PolarHBondContact OG-O 3.18Å; L242-R250 HydrophobicContact CD2-CB 4.01Å; L242-R250 HydrophobicContact CD2-CG 3.73Å; R250-I255 HydrophobicContact CB-CD1 4.35Å; R250-I255 HydrophobicContact CB-CG1 4.2Å
251N91.2Very high91.6Very high94 Ų9471.3 Ų71.350%0.50337%0.366SS..  trans-72.6148.6178.8-176.7-66.9000110.8E253 M254 I255N251-E253 PolarHBondContact O-N 3.4Å; N251-E253 PolarHBondContact OD1-N 3.33Å; N251-M254 HydrophobicContact CB-CG 4.15Å; N251-M254 HydrophobicContact CB-SD 3.96Å; N251-M254 WeakPolarHBondContact O-CA 3.33Å; N251-M254 VanDerWaalsContact O-CB 3.31Å; N251-M254 WeakPolarHBondContact O-CB 3.49Å; N251-M254 PolarHBondContact O-N 3.41Å; N251-I255 PolarHBondContact O-N 3.35Å
252V91.7Very high91.6Very high49 Ų4972.6 Ų72.630%0.29738%0.381SS..Hα-helixtrans-50-39.3176.5-176.90000112.5N235 Q236 I255 K256N235-V252 HydrophobicContact CB-CG1 3.56Å; Q236-V252 HydrophobicContact CG-CG1 4.4Å; Q236-V252 HydrophobicContact CG-CG2 4.16Å; V252-I255 PolarHBondContact O-N 2.93Å; V252-K256 WeakPolarHBondContact O-CB 3.46Å; V252-K256 PolarHBondContact O-N 3.41Å
253E92Very high91.6Very high155 Ų15579.7 Ų79.772%0.72441%0.414SS*.Hα-helixtrans-67.7-36.1176.8-66-170.2163.100112.8N251 K256 G257N251-E253 PolarHBondContact O-N 3.4Å; N251-E253 PolarHBondContact OD1-N 3.33Å; E253-K256 PolarHBondContact O-N 3.21Å; E253-G257 PolarHBondContact O-N 3.3Å
254M92.9Very high91.8Very high33 Ų3375.5 Ų75.516%0.16339%0.392CS..Hα-helixtrans-66.9-43.6176.2-62.316866.900110.7R211 W212 N251 G257 Q258R211-M254 HydrophobicContact CG-CE 4.25Å; R211-M254 VanDerWaalsContact NH2-CE 3.32Å; R211-M254 VanDerWaalsContact NH2-CG 3.34Å; R211-M254 PolarHBondContact NH2-SD 2.94Å; W212-M254 HydrophobicContact CZ2-CB 4.07Å; N251-M254 HydrophobicContact CB-CG 4.15Å; N251-M254 HydrophobicContact CB-SD 3.96Å; N251-M254 WeakPolarHBondContact O-CA 3.33Å; N251-M254 VanDerWaalsContact O-CB 3.31Å; N251-M254 WeakPolarHBondContact O-CB 3.49Å; N251-M254 PolarHBondContact O-N 3.41Å; M254-G257 PolarHBondContact O-N 2.97Å; M254-Q258 PolarHBondContact O-N 3.34Å
255I92.6Very high91.9Very high0 Ų075.5 Ų75.50%039%0.39CS..Hα-helixtrans-61.6-48.1175.8-69.1168000109.3W212 L220 L238 S239 R250 N251 V252 G257 Q258 R259W212-I255 HydrophobicContact CH2-CG1 4.04Å; W212-I255 HydrophobicContact CZ2-CG1 4.45Å; L220-I255 HydrophobicContact CD1-CD1 4.43Å; L220-I255 HydrophobicContact CD1-CG1 4.2Å; L220-I255 HydrophobicContact CD1-CG2 4.02Å; L220-I255 HydrophobicContact CD2-CG2 4.2Å; L238-I255 HydrophobicContact CB-CG2 4.2Å; L238-I255 HydrophobicContact CD1-CG2 4.22Å; S239-I255 VanDerWaalsContact CA-CD1 3.45Å; R250-I255 HydrophobicContact CB-CD1 4.35Å; R250-I255 HydrophobicContact CB-CG1 4.2Å; N251-I255 PolarHBondContact O-N 3.35Å; V252-I255 PolarHBondContact O-N 2.93Å; I255-G257 VanDerWaalsContact C-N 3.27Å; I255-G257 PolarHBondContact O-N 3.35Å; I255-Q258 PolarHBondContact O-N 2.98Å; I255-R259 HydrophobicContact CG2-CG 4.25Å; I255-R259 WeakPolarHBondContact O-CG 3.29Å; I255-R259 PolarHBondContact O-N 2.94Å
256K92.9Very high92.1Very high100 Ų10077.1 Ų77.144%0.43539%0.391SS..Hα-helixtrans-56-42.7175-172.3-177.7-172.9-178.80111.6V252 E253 R260V252-K256 WeakPolarHBondContact O-CB 3.46Å; V252-K256 PolarHBondContact O-N 3.41Å; E253-K256 PolarHBondContact O-N 3.21Å; K256-R260 WeakPolarHBondContact O-CG 3.25Å; K256-R260 PolarHBondContact O-N 3.03Å
257G93Very high92.3Very high36 Ų3676.4 Ų76.437%0.37139%0.389SS..Hα-helixtrans-62.5-40.3175.400000112.9E253 M254 I255E253-G257 PolarHBondContact O-N 3.3Å; M254-G257 PolarHBondContact O-N 2.97Å; I255-G257 VanDerWaalsContact C-N 3.27Å; I255-G257 PolarHBondContact O-N 3.35Å
258Q92.4Very high92.5Very high12 Ų1274 Ų746%0.05636%0.363CS..Hα-helixtrans-69.2-43177.9-169.260.516.500111.9W212 V217 L220 M254 I255 R260 K261 Y264W212-Q258 HydrophobicContact CD2-CB 4.43Å; W212-Q258 HydrophobicContact CD2-CG 4.13Å; W212-Q258 HydrophobicContact CE3-CG 4.29Å; W212-Q258 HydrophobicContact CH2-CB 4.34Å; W212-Q258 HydrophobicContact CZ2-CB 3.88Å; W212-Q258 HydrophobicContact CZ2-CG 4.35Å; W212-Q258 HydrophobicContact CZ3-CG 4.49Å; V217-Q258 VanDerWaalsContact CG2-NE2 3.32Å; L220-Q258 HydrophobicContact CD2-CB 4.21Å; L220-Q258 HydrophobicContact CD2-CG 4.1Å; M254-Q258 PolarHBondContact O-N 3.34Å; I255-Q258 PolarHBondContact O-N 2.98Å; Q258-R260 PolarHBondContact O-N 3.5Å; Q258-K261 WeakPolarHBondContact O-CB 3.21Å; Q258-K261 PolarHBondContact O-N 3.11Å; Q258-Y264 HydrophobicContact CG-CD2 4.08Å; Q258-Y264 HydrophobicContact CG-CG 4.47Å; Q258-Y264 WeakPolarHBondContact O-CB 3.34Å
259R92.6Very high92.6Very high54 Ų5475.1 Ų75.120%0.20438%0.377CS..Hα-helixtrans-64.4-20.7178.4-65.4178.871.9-148.3-1.8114.5E224 N235 I255 Y264 K265E224-R259 VanDerWaalsContact CD-NE 3.3Å; E224-R259 IonicContact OE1-CZ 3.55Å; E224-R259 IonicContact OE1-NE 3.21Å; E224-R259 PolarHBondContact OE1-NE 2.74Å; E224-R259 IonicContact OE1-NH2 3.62Å; E224-R259 PolarHBondContact OE1-NH2 2.82Å; E224-R259 WeakPolarHBondContact OE2-CD 3.45Å; E224-R259 IonicContact OE2-CZ 2.86Å; E224-R259 IonicContact OE2-NE 2.75Å; E224-R259 PolarHBondContact OE2-NE 2.81Å; E224-R259 IonicContact OE2-NH2 2.86Å; N235-R259 VanDerWaalsContact OD1-CD 3.31Å; N235-R259 WeakPolarHBondContact OD1-CD 3.45Å; N235-R259 PolarHBondContact OD1-NH1 2.89Å; I255-R259 HydrophobicContact CG2-CG 4.25Å; I255-R259 WeakPolarHBondContact O-CG 3.29Å; I255-R259 PolarHBondContact O-N 2.94Å; R259-Y264 HydrophobicContact CB-CD1 4.27Å; R259-Y264 HydrophobicContact CB-CE1 4.06Å; R259-Y264 HydrophobicContact CG-CD1 4.24Å; R259-Y264 HydrophobicContact CG-CE1 3.59Å; R259-K265 WeakPolarHBondContact O-CE 3.47Å
260R91.9Very high92.8Very high171 Ų17173.4 Ų73.465%0.64537%0.37SS*.Hα-helixtrans-73.2-27.3176-76.2174.5-172.1-11213.4113.2K256 Q258K256-R260 WeakPolarHBondContact O-CG 3.25Å; K256-R260 PolarHBondContact O-N 3.03Å; Q258-R260 PolarHBondContact O-N 3.5Å
261K93.2Very high93Very high102 Ų10272.2 Ų72.244%0.44337%0.368SS..SBendtrans-67.2137.2-175.4-64.3177.4179.9170.80111Q258 Q263 Y264 K265Q258-K261 WeakPolarHBondContact O-CB 3.21Å; Q258-K261 PolarHBondContact O-N 3.11Å; K261-Q263 PolarHBondContact O-N 3.1Å; K261-Y264 PolarHBondContact O-N 3.49Å; K261-K265 PolarHBondContact O-N 3.44Å
262S93.1Very high93Very high77 Ų7771.6 Ų71.654%0.53836%0.361SS..Hα-helixtrans-57.7-47.7178.350.90000112.1Y264 K265 E266S262-Y264 PolarHBondContact O-N 2.97Å; S262-Y264 VanDerWaalsContact O-N 3.14Å; S262-K265 WeakPolarHBondContact O-CB 3.38Å; S262-K265 PolarHBondContact O-N 3.42Å; S262-E266 PolarHBondContact O-N 2.8Å
263Q92.8Very high92.8Very high148 Ų14872 Ų7269%0.69237%0.366SS*.Hα-helixtrans-53.8-36.5177.6-66.9-179.5-20.400113.1K261 L267K261-Q263 PolarHBondContact O-N 3.1Å; Q263-L267 WeakPolarHBondContact O-CB 3.44Å; Q263-L267 PolarHBondContact O-N 3.44Å; Q263-L267 VanDerWaalsContact O-N 3.12Å
264Y94.3Very high92.7Very high3 Ų367.1 Ų67.11%0.01235%0.353CS..Hα-helixtrans-73.9-38.9178177.3-88.7000111.7V217 L220 A221 E224 Q258 R259 K261 S262 L267 V268V217-Y264 HydrophobicContact CG1-CD2 3.91Å; L220-Y264 VanDerWaalsContact C-OH 3.31Å; L220-Y264 HydrophobicContact CB-CE2 4.12Å; L220-Y264 HydrophobicContact CD2-CE2 3.79Å; L220-Y264 HydrophobicContact CG-CE2 4.02Å; L220-Y264 WeakPolarHBondContact CG-OH 3.46Å; L220-Y264 PolarHBondContact O-OH 3.45Å; A221-Y264 WeakPolarHBondContact CA-OH 3.44Å; A221-Y264 HydrophobicContact CB-CD2 4.3Å; A221-Y264 HydrophobicContact CB-CE2 3.7Å; E224-Y264 WeakPolarHBondContact OE2-CE1 3.2Å; E224-Y264 PolarHBondContact OE2-OH 3.46Å; Q258-Y264 HydrophobicContact CG-CD2 4.08Å; Q258-Y264 HydrophobicContact CG-CG 4.47Å; Q258-Y264 WeakPolarHBondContact O-CB 3.34Å; R259-Y264 HydrophobicContact CB-CD1 4.27Å; R259-Y264 HydrophobicContact CB-CE1 4.06Å; R259-Y264 HydrophobicContact CG-CD1 4.24Å; R259-Y264 HydrophobicContact CG-CE1 3.59Å; K261-Y264 PolarHBondContact O-N 3.49Å; S262-Y264 PolarHBondContact O-N 2.97Å; S262-Y264 VanDerWaalsContact O-N 3.14Å; Y264-L267 WeakPolarHBondContact O-CB 3.27Å; Y264-L267 PolarHBondContact O-N 3.38Å; Y264-V268 HydrophobicContact CD1-CG2 4.07Å; Y264-V268 HydrophobicContact CE1-CG2 3.51Å; Y264-V268 HydrophobicContact CE2-CG2 4.32Å; Y264-V268 WeakPolarHBondContact O-CG2 3.2Å; Y264-V268 PolarHBondContact O-N 3.03Å
265K94Very high92.1Very high127 Ų12770.4 Ų70.455%0.55237%0.371SS*.Hα-helixtrans-65.1-42176.8-64.9178-178.7179.60111.9R259 K261 S262 L267 V268 A269R259-K265 WeakPolarHBondContact O-CE 3.47Å; K261-K265 PolarHBondContact O-N 3.44Å; S262-K265 WeakPolarHBondContact O-CB 3.38Å; S262-K265 PolarHBondContact O-N 3.42Å; K265-L267 VanDerWaalsContact C-N 3.31Å; K265-V268 PolarHBondContact O-N 3.45Å; K265-A269 WeakPolarHBondContact O-CB 3.48Å; K265-A269 PolarHBondContact O-N 3.02Å
266E94.6Very high91.4Very high125 Ų12580 Ų8058%0.58441%0.407SS*.Hα-helixtrans-60.2-43.2173.5-71.3163.2-151.600111S262 A269 S270S262-E266 PolarHBondContact O-N 2.8Å; E266-A269 PolarHBondContact O-N 3.41Å; E266-S270 WeakPolarHBondContact O-CB 3.41Å; E266-S270 PolarHBondContact O-N 2.9Å
267L93.8Very high90.5Very high48 Ų4880.9 Ų80.925%0.25142%0.416SS..Hα-helixtrans-61.9-44.3176.3-174.869000112.4V217 L218 A221 Q263 Y264 K265 S270 L271V217-L267 HydrophobicContact CG1-CD2 3.99Å; L218-L267 HydrophobicContact CD2-CD1 3.73Å; L218-L267 HydrophobicContact CD2-CD2 3.85Å; L218-L267 HydrophobicContact CD2-CG 4.27Å; L218-L267 HydrophobicContact CG-CD2 4.49Å; A221-L267 HydrophobicContact CB-CB 4.5Å; A221-L267 HydrophobicContact CB-CD2 3.57Å; A221-L267 HydrophobicContact CB-CG 3.82Å; Q263-L267 WeakPolarHBondContact O-CB 3.44Å; Q263-L267 PolarHBondContact O-N 3.44Å; Q263-L267 VanDerWaalsContact O-N 3.12Å; Y264-L267 WeakPolarHBondContact O-CB 3.27Å; Y264-L267 PolarHBondContact O-N 3.38Å; K265-L267 VanDerWaalsContact C-N 3.31Å; L267-S270 PolarHBondContact O-N 3.07Å; L267-L271 HydrophobicContact CG-CD1 4.42Å; L267-L271 WeakPolarHBondContact O-CG 3.46Å; L267-L271 PolarHBondContact O-N 3.21Å; L267-L271 VanDerWaalsContact O-N 3.07Å
268V93.7Very high89.5Confident9 Ų982.5 Ų82.56%0.05543%0.426CS..Hα-helixtrans-64.3-41.9175.5172.80000111.1A221 E224 Y264 K265 L271 K272A221-V268 HydrophobicContact CB-CG2 3.81Å; E224-V268 HydrophobicContact CB-CG1 4.42Å; E224-V268 HydrophobicContact CB-CG2 4.2Å; E224-V268 HydrophobicContact CG-CG1 4.06Å; E224-V268 HydrophobicContact CG-CG2 4.36Å; Y264-V268 HydrophobicContact CD1-CG2 4.07Å; Y264-V268 HydrophobicContact CE1-CG2 3.51Å; Y264-V268 HydrophobicContact CE2-CG2 4.32Å; Y264-V268 WeakPolarHBondContact O-CG2 3.2Å; Y264-V268 PolarHBondContact O-N 3.03Å; K265-V268 PolarHBondContact O-N 3.45Å; V268-L271 PolarHBondContact O-N 2.92Å; V268-K272 HydrophobicContact CG1-CD 4.2Å; V268-K272 HydrophobicContact CG1-CG 4.46Å; V268-K272 WeakPolarHBondContact O-CG 3.33Å; V268-K272 PolarHBondContact O-N 2.78Å
269A92.8Very high88.1Confident58 Ų5888 Ų8848%0.47946%0.456SS..Hα-helixtrans-63.1-42.9177.700000112.1K265 E266 L271 K272 S273K265-A269 WeakPolarHBondContact O-CB 3.48Å; K265-A269 PolarHBondContact O-N 3.02Å; E266-A269 PolarHBondContact O-N 3.41Å; A269-L271 PolarHBondContact O-N 2.87Å; A269-K272 PolarHBondContact O-N 3.28Å; A269-S273 PolarHBondContact O-N 3.35Å; A269-S273 PolarHBondContact O-OG 2.88Å
270S94Very high86.5Confident71 Ų7195.4 Ų95.450%0.49748%0.484SS..Hα-helixtrans-62.5-39.8176.2174.60000112.6E266 L267 S273 A274E266-S270 WeakPolarHBondContact O-CB 3.41Å; E266-S270 PolarHBondContact O-N 2.9Å; L267-S270 PolarHBondContact O-N 3.07Å; S270-S273 PolarHBondContact O-OG 3.28Å; S270-A274 WeakPolarHBondContact O-CB 3.18Å; S270-A274 PolarHBondContact O-N 2.83Å; S270-A274 VanDerWaalsContact O-N 3.12Å
271L92.5Very high84.9Confident44 Ų4490.7 Ų90.723%0.2349%0.488CS..Hα-helixtrans-69.5-39175.7-70.2169.1000111.9A221 K222 A225 L267 V268 A269 A274 D275A221-L271 HydrophobicContact CB-CD1 3.8Å; K222-L271 HydrophobicContact CB-CD1 4.46Å; K222-L271 HydrophobicContact CG-CD1 3.74Å; K222-L271 HydrophobicContact CG-CD2 4.31Å; A225-L271 HydrophobicContact CB-CB 3.79Å; L267-L271 HydrophobicContact CG-CD1 4.42Å; L267-L271 WeakPolarHBondContact O-CG 3.46Å; L267-L271 PolarHBondContact O-N 3.21Å; L267-L271 VanDerWaalsContact O-N 3.07Å; V268-L271 PolarHBondContact O-N 2.92Å; A269-L271 PolarHBondContact O-N 2.87Å; L271-A274 PolarHBondContact O-N 3.07Å; L271-D275 PolarHBondContact O-N 3.21Å; L271-D275 VanDerWaalsContact O-N 3.15Å
272K91.2Very high83.1Confident81 Ų8190.3 Ų90.335%0.35250%0.498SS..Hα-helixtrans-65.6-34.8175.8-75.1-175.8178.3-170.70113.1A225 V268 A269 R276A225-K272 HydrophobicContact CB-CG 3.81Å; V268-K272 HydrophobicContact CG1-CD 4.2Å; V268-K272 HydrophobicContact CG1-CG 4.46Å; V268-K272 WeakPolarHBondContact O-CG 3.33Å; V268-K272 PolarHBondContact O-N 2.78Å; A269-K272 PolarHBondContact O-N 3.28Å; K272-R276 WeakPolarHBondContact O-CG 3.32Å
273S89.3Confident80.9Confident58 Ų5891.1 Ų91.141%0.40650%0.504SS..Hα-helixtrans-71.7-41.8174.757.60000111.7A269 S270 D275 R276 D277A269-S273 PolarHBondContact O-N 3.35Å; A269-S273 PolarHBondContact O-OG 2.88Å; S270-S273 PolarHBondContact O-OG 3.28Å; S273-D275 VanDerWaalsContact C-N 3.3Å; S273-D275 PolarHBondContact O-N 3.3Å; S273-R276 WeakPolarHBondContact O-CB 3.28Å; S273-R276 PolarHBondContact O-N 2.99Å; S273-R276 VanDerWaalsContact O-N 3.14Å; S273-D277 PolarHBondContact O-N 3.49Å
274A88.3Confident78.4Confident53 Ų5392.3 Ų92.344%0.43851%0.51SS..Hα-helixtrans-61.4-36.5179.500000113S270 L271 R276 D277 A278S270-A274 WeakPolarHBondContact O-CB 3.18Å; S270-A274 PolarHBondContact O-N 2.83Å; S270-A274 VanDerWaalsContact O-N 3.12Å; L271-A274 PolarHBondContact O-N 3.07Å; A274-R276 VanDerWaalsContact C-N 3.32Å; A274-R276 PolarHBondContact O-N 3.45Å; A274-D277 PolarHBondContact O-N 3.18Å; A274-A278 PolarHBondContact O-N 2.89Å; A274-A278 VanDerWaalsContact O-N 3.1Å
275D80.1Confident76Confident102 Ų10297.8 Ų97.855%0.54555%0.545SS..Hα-helixtrans-67.6-32.6177.9-147.836.8000112.1L271 S273 A278 D279L271-D275 PolarHBondContact O-N 3.21Å; L271-D275 VanDerWaalsContact O-N 3.15Å; S273-D275 VanDerWaalsContact C-N 3.3Å; S273-D275 PolarHBondContact O-N 3.3Å; D275-A278 PolarHBondContact O-N 2.78Å; D275-D279 PolarHBondContact O-N 3.05Å
276R78.2Confident73.6Confident201 Ų20197.6 Ų97.676%0.75856%0.555SS**Hα-helixtrans-70.1-33.4175.5-64.9177.878.1-173.84.8112.5K272 S273 A274K272-R276 WeakPolarHBondContact O-CG 3.32Å; S273-R276 WeakPolarHBondContact O-CB 3.28Å; S273-R276 PolarHBondContact O-N 2.99Å; S273-R276 VanDerWaalsContact O-N 3.14Å; A274-R276 VanDerWaalsContact C-N 3.32Å; A274-R276 PolarHBondContact O-N 3.45Å
277D75.3Confident70.8Confident119 Ų11997.9 Ų97.964%0.63657%0.566SS**Hα-helixtrans-74.5-33.3176.7-65.4-38.9000111.4S273 A274 G281S273-D277 PolarHBondContact O-N 3.49Å; A274-D277 PolarHBondContact O-N 3.18Å; D277-G281 PolarHBondContact O-N 3.38Å
278A70.9Confident68.5Low69 Ų69100.9 Ų100.957%0.5759%0.59SS**Hα-helixtrans-66.1-40.7175.700000112.7A274 D275 R280 G281A274-A278 PolarHBondContact O-N 2.89Å; A274-A278 VanDerWaalsContact O-N 3.1Å; D275-A278 PolarHBondContact O-N 2.78Å; A278-R280 VanDerWaalsContact C-N 3.34Å; A278-R280 PolarHBondContact O-N 3.44Å; A278-G281 PolarHBondContact O-N 2.78Å
279D63.5Low66Low129 Ų129108.5 Ų108.569%0.6963%0.625SS**Hα-helixtrans-67.8-32.7179.9-167.240.9000112.6D275 G281 S282D275-D279 PolarHBondContact O-N 3.05Å; D279-G281 VanDerWaalsContact C-N 3.33Å; D279-G281 PolarHBondContact O-N 2.84Å; D279-S282 PolarHBondContact O-OG 3.34Å
280R60Low63.8Low209 Ų209114.2 Ų114.279%0.78965%0.647SS**Hα-helixtrans-75.3-18.4177.8-174.2171-83.8-166.7-6.6113.6A278 S282A278-R280 VanDerWaalsContact C-N 3.34Å; A278-R280 PolarHBondContact O-N 3.44Å; R280-S282 VanDerWaalsContact C-N 3.31Å; R280-S282 PolarHBondContact O-N 2.87Å
281G57.3Low61.5Low71 Ų71121 Ų12173%0.73266%0.663SS**THydrogen-bonded Turntrans-79.1-4-178.900000115.7D277 A278 D279D277-G281 PolarHBondContact O-N 3.38Å; A278-G281 PolarHBondContact O-N 2.78Å; D279-G281 VanDerWaalsContact C-N 3.33Å; D279-G281 PolarHBondContact O-N 2.84Å
282S54.5Low59Low94 Ų94121.9 Ų121.966%0.65768%0.683SS**THydrogen-bonded Turntrans-100.61-175.867.40000115.2D279 R280D279-S282 PolarHBondContact O-OG 3.34Å; R280-S282 VanDerWaalsContact C-N 3.31Å; R280-S282 PolarHBondContact O-N 2.87Å
283S47.5Very low56.7Low94 Ų94124 Ų12466%0.65771%0.708SS**  trans-91.7103.2172.754.30000111.5
284E39.7Very low54.4Low174 Ų174126.1 Ų126.181%0.81373%0.729SS**  trans-49132.8169.6-77.1-100.3111.500112T286E284-T286 PolarHBondContact O-N 2.86Å; E284-T286 VanDerWaalsContact O-N 3.11Å
285P44.6Very low52.4Low117 Ų117130.2 Ų130.276%0.7675%0.748SS**  trans-78.498.7175.529.6-29.1000109.9T287P285-T287 PolarHBondContact O-N 2.93Å
286T43.1Very low50.6Low124 Ų124136.6 Ų136.676%0.76176%0.764SS**  trans-65.7103.9170.9-54.80000110.8E284 S288E284-T286 PolarHBondContact O-N 2.86Å; E284-T286 VanDerWaalsContact O-N 3.11Å; T286-S288 PolarHBondContact O-N 2.93Å; T286-S288 VanDerWaalsContact O-N 3.14Å
287T37.5Very low49Very low131 Ų131132.9 Ų132.980%0.80476%0.764SS**  trans-38.3108.1162.9-29.80000111.9P285P285-T287 PolarHBondContact O-N 2.93Å
288S44.6Very low47.4Very low110 Ų110138 Ų13877%0.76977%0.774SS**  trans-131.9104.1161.537.70000109.5T286 L290T286-S288 PolarHBondContact O-N 2.93Å; T286-S288 VanDerWaalsContact O-N 3.14Å; S288-L290 PolarHBondContact O-N 3.1Å
289H41.6Very low45.9Very low169 Ų169140.8 Ų140.878%0.78279%0.789SS**  trans-68.8107.2179.9-159.4-93.5000109
290L45.1Very low44.9Very low178 Ų178139.7 Ų139.793%0.93280%0.798SS**  trans-132.2124.7162.8-88.8167.9000111.9S288S288-L290 PolarHBondContact O-N 3.1Å
291Y45.7Very low44Very low214 Ų214137.4 Ų137.484%0.83980%0.802SS**  trans-72.6131.2-167.1-160.3-102.6000112.4
292G40.9Very low43.3Very low63 Ų63139.7 Ų139.765%0.64980%0.803SS**  trans45.510914000000120.6
293S44.1Very low42.8Very low126 Ų126139.3 Ų139.388%0.88181%0.806SS**  -155.3114129.2-97.90000111.4
294A41.1Very low42.2Very low101 Ų101143.6 Ų143.684%0.83582%0.815SS**  trans-78.1127.8171.700000110.1
295V45.1Very low42.3Very low139 Ų139142 Ų14284%0.84282%0.817SS**  trans-137.5110.1155.7177.70000107.8
296R42.5Very low41.7Very low236 Ų236144.2 Ų144.289%0.89182%0.817SS**  trans-85.8137.9166.6-70.6-177.6-173.1-173.71.9108.8
297V43.8Very low41.4Very low123 Ų123144.6 Ų144.675%0.74582%0.819SS**  trans-155.7113.9140179.40000111
298R41.9Very low41Very low227 Ų227142.2 Ų142.286%0.85781%0.808SS**  trans43114.8137.9-53.1175.2176.2-178.6-4119.6
299S40.3Very low40.9Very low127 Ų127142.3 Ų142.389%0.88881%0.809SS**  66.9108.979.5-59.50000115.9
300A42.6Very low40.7Very low106 Ų106141.2 Ų141.288%0.87681%0.809SS**  trans-168.7111.2145.500000111.1
301D39.7Very low40.4Very low161 Ų161140.1 Ų140.186%0.86180%0.804SS**  trans-89.3151.4149.8-109.2-49.6000107.1
302P44.6Very low40.1Very low119 Ų119136.9 Ų136.977%0.77380%0.796SS**  -159.6166.5100.239.2-18.8000118.5
303A42.2Very low40Very low87 Ų87141 Ų14172%0.71980%0.798SS**  trans90.9104.6137.900000122.3
304H36.6Very low39.6Very low183 Ų183140.8 Ų140.885%0.84779%0.791SS**  10129.5130-81.5-93.9000120.5
305V41.6Very low39.2Very low141 Ų141143.9 Ų143.986%0.85579%0.793SS**  trans-139.9123.9144.2-176.50000109.1
306H32.4Very low39.2Very low163 Ų163143 Ų14376%0.75579%0.79SS**  trans-131120.8172-158.4-65.8000106.1
307V36.8Very low38.7Very low133 Ų133139 Ų13981%0.80679%0.786SS**  trans-146.6127.5167.3177.40000109.2
308S29Very low38.5Very low81 Ų81139 Ų13957%0.56679%0.787SS**  trans-95.6160.5-178.7-50.90000112.5
309S42.3Very low38.2Very low112 Ų112132.6 Ų132.678%0.78378%0.776SS**  trans-158.4106.9155.2-50.40000106
310D36Very low38Very low146 Ų146133 Ų13378%0.78177%0.773SS**  76.3116.776.4-69.8-46.2000114.2
311D40.3Very low37.7Very low155 Ų155137.1 Ų137.183%0.82977%0.772SS**  trans165.298.5149.3-96.1-55.8000107.1
312E39.4Very low37.8Very low146 Ų146134.7 Ų134.768%0.68277%0.765SS**  52.313083.1-64.4-97.797.900111.3
313H36.8Very low37.3Very low149 Ų149133.4 Ų133.469%0.6977%0.765SS**  cis-176.9162.610.8-131.1-22.8000107.3
314V36.5Very low37.3Very low121 Ų121134.6 Ų134.673%0.73377%0.768SS**  trans86.9106.3151.5-169.80000119.6
315L32.9Very low37.6Very low166 Ų166134.2 Ų134.287%0.86977%0.766SS**  trans-86.6160.3146.6-70.5172.2000109.6
316P44.8Very low37.2Very low120 Ų120133.5 Ų133.578%0.77976%0.762SS**  trans-134.3146.3130.534.4-21.2000114.7
317D31.4Very low37.6Very low152 Ų152132.2 Ų132.281%0.81377%0.765SS**  trans-69.4157.4168.2-158.1-10.1000111.6
318V40.5Very low37.7Very low125 Ų125133.4 Ų133.476%0.75877%0.767SS**  trans155.1104.3148.5156.50000112
319S36Very low38.3Very low91 Ų91134.8 Ų134.864%0.63677%0.774SS**  53.9119.4125.5-39.40000119.7
320T36.2Very low38.9Very low135 Ų135135 Ų13583%0.82877%0.772SS**  167124.298.1-64.50000111.3
321F35.7Very low39Very low194 Ų194136.2 Ų136.285%0.85177%0.773SS**  trans-62.1-170.6171.4-79.4-85.1000114.7
322P41.9Very low38.8Very low110 Ų110137.4 Ų137.471%0.71477%0.774SS**  cis-138.8171.5-26.625.1-2.2000115.8
323A35.1Very low38.5Very low92 Ų92135.9 Ų135.976%0.7678%0.778SS**  trans48.7126.6135.600000122.9
324S41.9Very low38.4Very low112 Ų112135.5 Ų135.578%0.78378%0.78SS**  -161.8116.2129-710000111.2
325E41.3Very low38.3Very low175 Ų175137.4 Ų137.482%0.81879%0.785SS**  trans42.3114.1147.1-66.5174.8113.600121.6
326T34.6Very low38.4Very low126 Ų126134.4 Ų134.477%0.77378%0.778SS**  64.4110.787.1-40.20000111.5
327V40.4Very low38Very low135 Ų135140.6 Ų140.682%0.81879%0.785SS**  -172.6135.590.7162.40000109.6
328L38.1Very low38.5Very low159 Ų159142.9 Ų142.983%0.83279%0.791SS**PPolyproline II helixtrans-78.2160.1175.8-76.7146000113.5
329P43.2Very low38.4Very low110 Ų110142.7 Ų142.771%0.71480%0.795SS**PPolyproline II helixtrans-93.3152.8173.236.8-30.3000112.8
330P53.2Low38.4Very low117 Ų117142.7 Ų142.776%0.7680%0.801SS**PPolyproline II helixtrans-89.1125.916833.3-27.3000110.8
331E39.4Very low38.7Very low171 Ų171143.4 Ų143.480%0.79981%0.806SS**  64.893.291.8-59.2-104.2114.900111.8
332Q36.4Very low38.8Very low180 Ų180139.4 Ų139.484%0.84180%0.801SS**  43.8111.697.1-68.2-163.68.600115
333C31.8Very low38.7Very low113 Ų113139.8 Ų139.876%0.76481%0.807SS**  trans-164.7124.3141.5-124.40000114
334I35.8Very low38.7Very low142 Ų142139.7 Ų139.773%0.72881%0.806SS**  trans58.5108141.446-177.4000119.5
335L33.8Very low38.6Very low161 Ų161142.9 Ų142.984%0.84381%0.813SS**  95.1141.659.9-88.9177.6000114.5
336S34.3Very low38.4Very low103 Ų103143.4 Ų143.472%0.7282%0.815SS**  trans92.195.2149.1-62.30000119.8
337R37.9Very low38.4Very low249 Ų249143.3 Ų143.394%0.9481%0.814SS**  -171.692.3116.9-105.5172.8161.2-135.5-3.1111.2
338Q40.2Very low38.3Very low201 Ų201145 Ų14594%0.93982%0.818SS**  trans-119.2111.9151.5-72.8-1767.400106.4
339S38.5Very low38.3Very low120 Ų120141.7 Ų141.784%0.83981%0.808SS**  trans-94.3128.6174.9470000109.5
340A37.1Very low37.9Very low91 Ų91145.1 Ų145.175%0.75281%0.814SS**  trans-65149.6-178.500000114.5
341T41.6Very low37.1Very low151 Ų151146.5 Ų146.593%0.92682%0.821SS**  trans-140.6114.2135.550.50000107.8
342S38.7Very low37.1Very low109 Ų109146.8 Ų146.876%0.76282%0.822SS**  trans-113.1161.7176.8178.10000108.8
343S39.2Very low37.2Very low118 Ų118145.3 Ų145.383%0.82582%0.82SS**  trans93.8124.5174.6-36.10000113.2
344A36.1Very low37.6Very low90 Ų90146 Ų14674%0.74482%0.82SS**  cis-150.7136.820.300000110.8
345L39Very low37.9Very low179 Ų179147.4 Ų147.494%0.93783%0.828SS**  trans-100.6114.5159-75.4176000107.2
346H36.7Very low38.2Very low187 Ų187145.3 Ų145.387%0.86682%0.824SS**  trans-98.2126.6163.7-115.7-87.7000108.7
347V34.1Very low38.2Very low123 Ų123144.1 Ų144.175%0.74583%0.829SS**  trans-57.4124.5170172.80000109.8
348L39.3Very low38.5Very low170 Ų170142.2 Ų142.289%0.8983%0.827SS**  trans-144.1124.7144.1-78.9-176.2000110
349S38.3Very low38.4Very low91 Ų91137.9 Ų137.964%0.63682%0.819SS**  trans-69.8146.3175.839.10000113.5
350H33.7Very low38.5Very low182 Ų182138.5 Ų138.584%0.84382%0.818SS**  trans43.5107.4149.5-66.4-75.3000119
351T37.7Very low38.8Very low146 Ų146139.9 Ų139.990%0.89682%0.817SS**  trans-151.1128.313245.10000108.8
352E39Very low38.5Very low177 Ų177138.2 Ų138.283%0.82781%0.809SS**  trans-69.3175167-57.3-152.3108.800110.6
353D38.8Very low38.7Very low149 Ų149141.7 Ų141.780%0.79782%0.815SS**  trans105.2111.1160.8-62.8-47.4000119.9
354V39.5Very low39Very low127 Ų127141.3 Ų141.377%0.7781%0.81SS**  trans86.899.1139.6-1760000117.7
355L42.4Very low39Very low171 Ų171146.2 Ų146.290%0.89582%0.817SS**PPolyproline II helixtrans-94.7131.8154.4-75.3174.5000109.9
356P39.5Very low39.1Very low117 Ų117143.8 Ų143.876%0.7681%0.809SS**PPolyproline II helixtrans-81.4138.9175.732.1-30.8000111.3
357G35.9Very low39.1Very low79 Ų79142.2 Ų142.281%0.81481%0.807SS**PPolyproline II helixtrans-65.8149.1-173.700000115
358K43.9Very low39.1Very low208 Ų208141.9 Ų141.990%0.90481%0.81SS**  trans-110102.3165.6-115.3157.2-178.3171.40109.7T360K358-T360 PolarHBondContact O-N 3.23Å
359S37.7Very low39.4Very low110 Ų110140.7 Ų140.777%0.76981%0.809SS**  trans-51.6120.7169-177.60000110.7
360T40.6Very low39.5Very low133 Ų133141.9 Ų141.982%0.81682%0.815SS**  trans-113.3114161.9-61.90000107.1K358K358-T360 PolarHBondContact O-N 3.23Å
361V42.3Very low39.5Very low121 Ų121140.7 Ų140.773%0.73382%0.815SS**PPolyproline II helixtrans-67.5136.7178177.40000109.8
362P37.2Very low39.7Very low116 Ų116139.1 Ų139.175%0.75381%0.81SS**PPolyproline II helixtrans-82137.5178.832.7-31.4000111
363M40.9Very low39.8Very low181 Ų181137.2 Ų137.289%0.89281%0.81SS**PPolyproline II helixtrans-84.4132172.1-138.1-176.874.100109.2
364P46.5Very low39.8Very low110 Ų110137.8 Ų137.871%0.71481%0.812SS**PPolyproline II helixtrans-84.1141.2-17431.7-32.2000113.2
365E35.6Very low39.8Very low194 Ų194137.8 Ų137.891%0.90781%0.814SS**PPolyproline II helixtrans-59.5132.5163.5-79.2179.699.700111.3
366V41.6Very low39.6Very low127 Ų127133.1 Ų133.177%0.7781%0.808SS**  trans-136.399.1155.5-176.90000109.7
367L37.1Very low39.3Very low155 Ų155137.9 Ų137.981%0.81282%0.817SS**  trans48.5104.6131.5-57.3174.3000120.5
368S34.2Very low39.3Very low115 Ų115139.5 Ų139.580%0.80482%0.815SS**  trans-5.4130.5139.4-44.80000120.3
369V46.1Very low38.7Very low145 Ų145135.8 Ų135.888%0.87981%0.81SS**  -162.9161.4126.8-119.20000110.3
370P40.1Very low39Very low116 Ų116136.8 Ų136.875%0.75381%0.812SS**  -119.9174.4-125241.5000115.2
371D33.3Very low38.8Very low158 Ų158135.7 Ų135.785%0.84581%0.807SS**  trans-39.1137.8176.5-73.2-76.2000116.8
372S41.6Very low38.5Very low113 Ų113138.3 Ų138.379%0.7981%0.813SS**  trans-162.7109.3143.3-78.10000112.9
373V41.3Very low39.2Very low136 Ų136138.6 Ų138.682%0.82482%0.815SS**  trans70.3100.5134-168.40000119
374L39.1Very low39.1Very low162 Ų162138.4 Ų138.485%0.84881%0.812SS**  trans-57153.6152.4-70.3177.2000110.8
375P38.4Very low38.6Very low126 Ų126137.6 Ų137.682%0.81881%0.805SS**  -157172.170.638.7-16.4000117.7
376G37.8Very low38.7Very low74 Ų74137 Ų13776%0.76381%0.807SS**  trans116.989.8144.900000116.4S378G376-S378 PolarHBondContact O-N 3.38Å
377K33.4Very low38.5Very low216 Ų216135.6 Ų135.694%0.93980%0.803SS**  trans-64125.8159.8-73.4158174.7174.10109
378S37Very low39Very low113 Ų113135.1 Ų135.179%0.7981%0.806SS**  trans-136.4116.3161.6-167.50000110.2G376G376-S378 PolarHBondContact O-N 3.38Å
379T32.1Very low39.4Very low130 Ų130135.1 Ų135.180%0.79880%0.803SS**  trans-71135.9172.2-59.60000109.6
380V42.5Very low38.8Very low131 Ų131135.5 Ų135.579%0.79480%0.8SS**  trans-124.5128.6164.6-176.90000108.8
381P37.6Very low38.7Very low110 Ų110135.2 Ų135.271%0.71480%0.801SS**PPolyproline II helixtrans-92.3161.4-173.536.7-32.2000113.1
382M35.8Very low39.1Very low177 Ų177134.5 Ų134.587%0.87280%0.802SS**PPolyproline II helixtrans-72.1142.5177.1-144.5176.67400111.3
383P51.3Low38.9Very low121 Ų121136.6 Ų136.679%0.78680%0.804SS**PPolyproline II helixtrans-89.7146.9176.433.4-30.2000113.5
384E39.3Very low39Very low177 Ų177136.3 Ų136.383%0.82781%0.805SS**PPolyproline II helixtrans-78.8152.7-176.8-98.5-171.4109.700115
385V35.9Very low38.9Very low94 Ų94131.7 Ų131.757%0.5780%0.796SS**  trans64.4117.8132.6-177.70000119.4
386L38.2Very low38.8Very low181 Ų181135 Ų13595%0.94880%0.8SS**  -141120125.8-79.2-176.3000110.7
387S36.4Very low38.8Very low98 Ų98135.7 Ų135.769%0.68579%0.794SS**  trans-90.2142.4176.9-46.20000111.1
388V48.3Very low38.9Very low145 Ų145131.4 Ų131.488%0.87979%0.786SS**  trans-151.5140.9148.4-170.70000109.5
389P40.9Very low39Very low115 Ų115133 Ų13375%0.74778%0.784SS**  trans-106.3175.9-155.440-31.8000116.5
390D34Very low39.3Very low152 Ų152132.5 Ų132.581%0.81378%0.783SS**  trans-33.6149.2172.3-70.7-77000117.8
391S39.1Very low38.9Very low111 Ų111132 Ų13278%0.77678%0.78SS**  177146.6113.4-70.30000113.5
392V40Very low39.4Very low142 Ų142132 Ų13286%0.86178%0.78SS**  trans97.993.9150.1-160.60000119.4
393L39.2Very low39.5Very low158 Ų158132.4 Ų132.483%0.82778%0.78SS**  trans-68.9173.7145.6-67.3175.9000110.3
394P41.7Very low38.8Very low130 Ų130132.2 Ų132.284%0.84478%0.776SS**  cis-139.3-169.621.735-9.4000111.9
395G38.2Very low38.6Very low64 Ų64131 Ų13166%0.6678%0.775SS**  cis168.9164.821.800000109.2
396E35.6Very low38.8Very low195 Ų195131.5 Ų131.591%0.91178%0.782SS**  trans62.1141.9154.8-94.8-178.590.700119.4
397S37.3Very low38.7Very low90 Ų90129.1 Ų129.163%0.62978%0.775SS**  cis-174.2158.47.1-1660000109.1
398T36.9Very low38.9Very low125 Ų125130 Ų13077%0.76778%0.778SS**  trans89.1106145.3-52.50000121
399I37.8Very low38.1Very low146 Ų146129.8 Ų129.875%0.74977%0.772SS**  trans-75.1152.4156.3-61.1165.2000107.2
400P38.3Very low38Very low120 Ų120134.9 Ų134.978%0.77978%0.778SS**  -156.3161.865.138.9-13.9000121.4
401T35.9Very low37.9Very low120 Ų120132.9 Ų132.974%0.73677%0.771SS**  trans-70.4-166.3161.2470000112
402P46.6Very low37.6Very low110 Ų110134.4 Ų134.471%0.71477%0.77SS**  cis-134.9167.1-34.324.8-3.9000113.5
403E39.4Very low37.3Very low187 Ų187132.2 Ų132.287%0.87476%0.761SS**  trans-148.9109.7149.9-93.9-164.9116.700108.7
404V34.8Very low36.9Very low116 Ų116136.4 Ų136.470%0.70377%0.766SS**  56.4113.994.7-172.40000112.2
405L37.1Very low36.8Very low153 Ų153135.6 Ų135.680%0.80176%0.76SS**  174.1112.4124.3-86.5171.6000112
406S38.2Very low36.4Very low104 Ų104138.1 Ų138.173%0.72777%0.768SS**  trans58.3111.1130.9-52.10000121.9
407V37.3Very low36.5Very low131 Ų131134.8 Ų134.879%0.79476%0.76SS**  trans-63.5155.5151.3-151.50000109.5
408P40.5Very low36.2Very low115 Ų115136 Ų13675%0.74777%0.769SS**  -147.5166.1101.535-16.1000116.1
409D32Very low36.3Very low141 Ų141136.4 Ų136.475%0.75477%0.771SS**  trans-34138.2175.6-58.3-79.9000117.9
410Y37.3Very low36.1Very low223 Ų223136.7 Ų136.788%0.87577%0.773SS**  trans-133.1112.9148.3-132.5-94.7000110.9
411V31.9Very low36Very low109 Ų109136.6 Ų136.666%0.66177%0.772SS**  trans-73163.4166.6-176.70000108.3
412L33.1Very low36.2Very low144 Ų144137.2 Ų137.275%0.75478%0.777SS**  trans91.5135.7170.1-51167000113.4
413S33.8Very low35.7Very low96 Ų96140.1 Ų140.167%0.67178%0.781SS**  cis-167.1145.3-1.8-93.20000106.2
414R32.4Very low35.6Very low246 Ų246139 Ų13993%0.92878%0.78SS**  trans-59.2147.5166.5-81.2174.5157.7-164.1-6110.4
415P38.7Very low35.5Very low113 Ų113138 Ų13873%0.73478%0.778SS**  trans-120.1121.713930.3-17000110.6
416S30Very low35.7Very low117 Ų117138.6 Ų138.682%0.81878%0.78SS**  trans-57123.1156.835.50000110.8
417V37.9Very low35.6Very low124 Ų124141 Ų14175%0.75278%0.784SS**  trans-137.6112.9159-173.30000109.3V419V417-V419 HydrophobicContact CG1-CG2 4.16Å
418S31Very low36.1Very low116 Ų116140 Ų14081%0.81178%0.78SS**  trans-76.7124.7167.938.90000110.4
419V38.2Very low36.2Very low133 Ų133142 Ų14281%0.80679%0.785SS**  trans-142111.9161.5-175.30000108.3V417V417-V419 HydrophobicContact CG1-CG2 4.16Å
420L34.8Very low36.5Very low152 Ų152139.9 Ų139.980%0.79679%0.786SS**PPolyproline II helixtrans-86.9158.2164.6-87.3167.7000109.8
421P34.9Very low36.7Very low118 Ų118133.5 Ų133.577%0.76678%0.78SS**PPolyproline II helixtrans-93.1149.7-163.234.2-28.2000113.5
422T40.7Very low37.2Very low134 Ų134133.5 Ų133.582%0.82278%0.78SS**PPolyproline II helixtrans-94.5116.9173.8-57.50000110.1
423E35.3Very low37.8Very low171 Ų171135.7 Ų135.780%0.79979%0.786SS**PPolyproline II helixtrans-64.9138.4163-73.4-97.3111.700110.8
424L37.9Very low38.2Very low164 Ų164134.5 Ų134.586%0.85979%0.789SS**  trans-138.1108.4159.3-99.1172.9000110.3
425S33.2Very low38.7Very low95 Ų95129.4 Ų129.466%0.66479%0.788SS**  trans-73.9140.7169.5-34.70000110.9
426I39.9Very low38.7Very low164 Ų164127.4 Ų127.484%0.84179%0.787SS**  trans-134114.7160.9-59.5179000107.7
427L37.9Very low39.3Very low155 Ų155128.7 Ų128.781%0.81279%0.79SS**  trans-92.1-168173-66.9173.2000110.6
428P47.5Very low39.1Very low109 Ų109133 Ų13371%0.70879%0.794SS**  -129.4-170.4-108.433.7-8000112.8
429N42.2Very low39.2Very low158 Ų158133.6 Ų133.685%0.84579%0.789SS**  trans-158.2115.5158.3-96-22.7000108.7
430A38.7Very low39.2Very low96 Ų96135.1 Ų135.179%0.79379%0.787SS**  64.9128.888.600000112.5
431A40.9Very low39.3Very low89 Ų89135.7 Ų135.774%0.73679%0.785SS**  cis-158164.71700000107.8
432T42.1Very low39.2Very low109 Ų109134.8 Ų134.867%0.66979%0.788SS**  165.6128.286.8-63.70000111.1
433H45Very low39.5Very low191 Ų191132.4 Ų132.488%0.88478%0.777SS**  trans52.7136.3157.6-54.8-46.6000121
434G43.6Very low40Very low70 Ų70130.3 Ų130.372%0.72277%0.767SS**  cis-172.5174.29.700000110.4
435P41.6Very low40.5Very low140 Ų140128.9 Ų128.991%0.90976%0.76SS**  trans-104.2155.2-148.337.5-31.6000115.3
436G39.5Very low41.5Very low70 Ų70130.3 Ų130.372%0.72276%0.76SS**  trans-168.482.3174.500000115.4
437V43.8Very low42.5Very low145 Ų145124.8 Ų124.888%0.87974%0.736SS**  trans68.6111.5144.5-163.40000120.2
438Y31.9Very low44Very low214 Ų214123.1 Ų123.184%0.83972%0.724SS**  trans-34.7150.3157.4-90.3-114.1000114.4
439N34.8Very low45.2Very low129 Ų129124.8 Ų124.869%0.6972%0.724SS**  -173.3159.352.1-158.31.1000111.7
440Q38.1Very low46.7Very low164 Ų164124.2 Ų124.277%0.76672%0.717SS**  trans85.577.3163.8-57.317834.800118.7
441Q35.3Very low48.5Very low164 Ų164125.4 Ų125.477%0.76671%0.709SS**  trans-140.283.9152.8-159.57329.600109.2
442A33.8Very low50.5Low100 Ų100126 Ų12683%0.82670%0.7SS**  trans-131.899.3169.700000106.6
443S46.7Very low52.3Low84 Ų84127.1 Ų127.159%0.58770%0.697SS**SBendtrans173.9-4.9169.339.60000114.8
444H45.3Very low53.9Low127 Ų127121.6 Ų121.659%0.58868%0.679SS**Hα-helixtrans-84.7-33.6-170.5-154.1-90.7000114.3S447H444-S447 PolarHBondContact O-OG 3.43Å
445D48.9Very low55.7Low133 Ų133123.5 Ų123.571%0.71167%0.672SS**Hα-helixtrans-73-31.3-176-70.3-66.6000114.2S447 E448 M449D445-S447 VanDerWaalsContact C-N 3.32Å; D445-S447 PolarHBondContact O-N 3.46Å; D445-E448 PolarHBondContact O-N 3.25Å; D445-M449 PolarHBondContact O-N 3.17Å
446D54.7Low57.7Low125 Ų125123.1 Ų123.167%0.66866%0.656SS**Hα-helixtrans-68.6-32.7179-69.9-48.2000112.1E448 E450D446-E448 PolarHBondContact O-N 2.82Å; D446-E450 WeakPolarHBondContact O-CB 3.27Å; D446-E450 PolarHBondContact O-N 3.31Å; D446-E450 VanDerWaalsContact O-N 3.1Å
447S60.9Low59.6Low49 Ų49122.5 Ų122.534%0.34364%0.638SS.*Hα-helixtrans-71.3-29-179.568.30000113.6H444 D445 L451H444-S447 PolarHBondContact O-OG 3.43Å; D445-S447 VanDerWaalsContact C-N 3.32Å; D445-S447 PolarHBondContact O-N 3.46Å; S447-L451 PolarHBondContact O-N 3.15Å; S447-L451 VanDerWaalsContact O-N 3.12Å
448E68.8Low61.3Low120 Ų120119.7 Ų119.756%0.56162%0.621SS**Hα-helixtrans-78.2-36.2179.2-153175.3172.100111.4D445 D446 L452D445-E448 PolarHBondContact O-N 3.25Å; D446-E448 PolarHBondContact O-N 2.82Å; E448-L452 PolarHBondContact O-N 3.07Å; E448-L452 VanDerWaalsContact O-N 3.07Å
449M72.5Confident63.4Low144 Ų144114.8 Ų114.871%0.70961%0.609SS**Hα-helixtrans-64.4-40.6170.5-94.7-102.8-75.700112.3D445 L452 H453D445-M449 PolarHBondContact O-N 3.17Å; M449-L452 PolarHBondContact O-N 3.23Å; M449-H453 WeakPolarHBondContact O-CB 3.32Å; M449-H453 PolarHBondContact O-N 2.79Å
450E73.9Confident65.2Low145 Ų145118 Ų11868%0.67861%0.611SS**Hα-helixtrans-69.5-38.4179.5-159.4170.3-162.700112D446 H453 C454D446-E450 WeakPolarHBondContact O-CB 3.27Å; D446-E450 PolarHBondContact O-N 3.31Å; D446-E450 VanDerWaalsContact O-N 3.1Å; E450-H453 PolarHBondContact O-N 3.08Å; E450-C454 WeakPolarHBondContact O-CB 3.24Å; E450-C454 PolarHBondContact O-N 3.19Å
451L77.5Confident66.6Low121 Ų121117 Ų11763%0.63461%0.607SS**Hα-helixtrans-63.7-43.5172.1-90.4164.7000112.5S447 H453 C454 L455S447-L451 PolarHBondContact O-N 3.15Å; S447-L451 VanDerWaalsContact O-N 3.12Å; L451-H453 VanDerWaalsContact C-N 3.34Å; L451-H453 PolarHBondContact O-N 2.93Å; L451-C454 PolarHBondContact O-N 3.45Å; L451-L455 WeakPolarHBondContact O-CB 3.28Å; L451-L455 PolarHBondContact O-N 2.84Å
452L82.2Confident67.9Low103 Ų103113 Ų11354%0.53960%0.602SS.*Hα-helixtrans-63.8-39.2176.2-106.7166.2000112.2E448 M449 K456E448-L452 PolarHBondContact O-N 3.07Å; E448-L452 VanDerWaalsContact O-N 3.07Å; M449-L452 PolarHBondContact O-N 3.23Å; L452-K456 WeakPolarHBondContact O-CB 3.46Å; L452-K456 WeakPolarHBondContact O-CG 3.35Å; L452-K456 PolarHBondContact O-N 3.1Å
453H80Confident69.1Low132 Ų132111.3 Ų111.361%0.61158%0.584SS**Hα-helixtrans-65.1-45.4175.2-173.1-97.2000111.1M449 E450 L451 L455 K456 T457M449-H453 WeakPolarHBondContact O-CB 3.32Å; M449-H453 PolarHBondContact O-N 2.79Å; E450-H453 PolarHBondContact O-N 3.08Å; L451-H453 VanDerWaalsContact C-N 3.34Å; L451-H453 PolarHBondContact O-N 2.93Å; H453-L455 PolarHBondContact O-N 3.3Å; H453-K456 PolarHBondContact O-N 3.3Å; H453-T457 PolarHBondContact O-N 3.36Å; H453-T457 PolarHBondContact O-OG1 3.3Å
454C78.1Confident68.9Low75 Ų75113.5 Ų113.551%0.50760%0.597SS.*Hα-helixtrans-63.3-40.5178.7-152.10000112.1E450 L451 T457 V458E450-C454 WeakPolarHBondContact O-CB 3.24Å; E450-C454 PolarHBondContact O-N 3.19Å; L451-C454 PolarHBondContact O-N 3.45Å; C454-T457 PolarHBondContact O-N 3.16Å; C454-V458 WeakPolarHBondContact O-CG2 3.44Å; C454-V458 PolarHBondContact O-N 3.14Å
455L81Confident69Low109 Ų109112.2 Ų112.257%0.57160%0.601SS**Hα-helixtrans-68.4-35.8177.7-145.3146.6000111.9L451 H453 L459L451-L455 WeakPolarHBondContact O-CB 3.28Å; L451-L455 PolarHBondContact O-N 2.84Å; H453-L455 PolarHBondContact O-N 3.3Å; L455-L459 HydrophobicContact CD2-CD1 3.76Å; L455-L459 HydrophobicContact CD2-CG 4.26Å; L455-L459 WeakPolarHBondContact O-CB 3.4Å; L455-L459 VanDerWaalsContact O-CG 3.27Å; L455-L459 WeakPolarHBondContact O-CG 3.39Å; L455-L459 PolarHBondContact O-N 3.2Å; L455-L459 VanDerWaalsContact O-N 3.09Å
456K83.6Confident68.8Low132 Ų132115.5 Ų115.557%0.57461%0.613SS**Hα-helixtrans-63.8-40.7171.1-78174.6-179.3175.50112.2L452 H453 L459 R460L452-K456 WeakPolarHBondContact O-CB 3.46Å; L452-K456 WeakPolarHBondContact O-CG 3.35Å; L452-K456 PolarHBondContact O-N 3.1Å; H453-K456 PolarHBondContact O-N 3.3Å; K456-L459 PolarHBondContact O-N 2.78Å; K456-R460 WeakPolarHBondContact O-CB 3.2Å; K456-R460 PolarHBondContact O-N 3.01Å
457T80.7Confident68.3Low57 Ų57113.2 Ų113.235%0.3561%0.611SS.*Hα-helixtrans-65.2-46.9178.4-47.90000111.4H453 C454 L459 R460 E461H453-T457 PolarHBondContact O-N 3.36Å; H453-T457 PolarHBondContact O-OG1 3.3Å; C454-T457 PolarHBondContact O-N 3.16Å; T457-L459 VanDerWaalsContact C-N 3.33Å; T457-L459 PolarHBondContact O-N 3.45Å; T457-R460 WeakPolarHBondContact O-CB 3.31Å; T457-R460 PolarHBondContact O-N 3.35Å; T457-R460 VanDerWaalsContact O-N 3.08Å; T457-E461 WeakPolarHBondContact O-CG 3.34Å; T457-E461 PolarHBondContact O-N 3.31Å
458V78.3Confident67.5Low87 Ų87116.2 Ų116.253%0.52763%0.63SS.*Hα-helixtrans-62.7-38.8178.2174.10000112C454 R460 E461 A462C454-V458 WeakPolarHBondContact O-CG2 3.44Å; C454-V458 PolarHBondContact O-N 3.14Å; V458-R460 VanDerWaalsContact C-N 3.32Å; V458-R460 PolarHBondContact O-N 3.14Å; V458-E461 PolarHBondContact O-N 2.68Å; V458-A462 WeakPolarHBondContact O-CB 3.46Å; V458-A462 PolarHBondContact O-N 3.43Å
459L76.4Confident66.2Low110 Ų110116 Ų11658%0.57665%0.648SS**Hα-helixtrans-68.4-31175.3-72.3174000112.7L455 K456 T457 S463L455-L459 HydrophobicContact CD2-CD1 3.76Å; L455-L459 HydrophobicContact CD2-CG 4.26Å; L455-L459 WeakPolarHBondContact O-CB 3.4Å; L455-L459 VanDerWaalsContact O-CG 3.27Å; L455-L459 WeakPolarHBondContact O-CG 3.39Å; L455-L459 PolarHBondContact O-N 3.2Å; L455-L459 VanDerWaalsContact O-N 3.09Å; K456-L459 PolarHBondContact O-N 2.78Å; T457-L459 VanDerWaalsContact C-N 3.33Å; T457-L459 PolarHBondContact O-N 3.45Å; L459-S463 WeakPolarHBondContact O-CB 3.38Å; L459-S463 PolarHBondContact O-N 2.87Å
460R73.1Confident65.4Low196 Ų196112.7 Ų112.774%0.7465%0.651SS**Hα-helixtrans-72.9-34.6176.4-151.7174.9-166.7179.82.3112.1K456 T457 V458K456-R460 WeakPolarHBondContact O-CB 3.2Å; K456-R460 PolarHBondContact O-N 3.01Å; T457-R460 WeakPolarHBondContact O-CB 3.31Å; T457-R460 PolarHBondContact O-N 3.35Å; T457-R460 VanDerWaalsContact O-N 3.08Å; V458-R460 VanDerWaalsContact C-N 3.32Å; V458-R460 PolarHBondContact O-N 3.14Å
461E67.7Low64.3Low145 Ų145110.9 Ų110.968%0.67866%0.655SS**Hα-helixtrans-76.5-32.3175.8-69.9176.4-179.900112.9T457 V458T457-E461 WeakPolarHBondContact O-CG 3.34Å; T457-E461 PolarHBondContact O-N 3.31Å; V458-E461 PolarHBondContact O-N 2.68Å
462A62.4Low62.7Low80 Ų80112 Ų11266%0.66166%0.66SS**Hα-helixtrans-77.7-21.7177.600000113.8V458V458-A462 WeakPolarHBondContact O-CB 3.46Å; V458-A462 PolarHBondContact O-N 3.43Å
463S58.6Low60.9Low64 Ų64115.5 Ų115.545%0.44868%0.679SS.*SBendtrans-95.989174.9168.80000108.9L459 C465L459-S463 WeakPolarHBondContact O-CB 3.38Å; L459-S463 PolarHBondContact O-N 2.87Å; S463-C465 PolarHBondContact O-N 3.34Å
464C41.6Very low59.1Low129 Ų129121.5 Ų121.587%0.87271%0.707SS**  trans-63.443.3176.4-55.30000114.7
465C48.2Very low58.1Low100 Ų100123.8 Ų123.868%0.67672%0.717SS**  trans-130.1103.9180-62.70000107.4S463 A467S463-C465 PolarHBondContact O-N 3.34Å; C465-A467 PolarHBondContact O-N 3.15Å
466E44.1Very low56.9Low202 Ų202124.6 Ų124.694%0.94473%0.725SS**  trans-62100.8165-71.4-170.4141.600108.4
467A45.7Very low55.4Low77 Ų77124.2 Ų124.264%0.63673%0.733SS**  trans-74.2132.8168.900000108.7C465C465-A467 PolarHBondContact O-N 3.15Å
468P43.2Very low54Low113 Ų113128.1 Ų128.173%0.73476%0.756SS**  trans-59.1142.2179.423.4-32.2000111G470P468-G470 PolarHBondContact O-N 3.33Å; P468-G470 VanDerWaalsContact O-N 3.11Å
469A42.1Very low52.4Low114 Ų114130.7 Ų130.794%0.94277%0.77SS**THydrogen-bonded Turntrans-52.4115-178.800000111.1
470G55.3Low50.8Low76 Ų76132.1 Ų132.178%0.78478%0.783SS**THydrogen-bonded Turntrans137.19.2173.700000117.7P468P468-G470 PolarHBondContact O-N 3.33Å; P468-G470 VanDerWaalsContact O-N 3.11Å
471S50.7Low49.2Very low107 Ų107127.5 Ų127.575%0.74879%0.786SS**  trans-134.577.7179.3-67.80000112.2
472L44.7Very low47.8Very low143 Ų143126.2 Ų126.275%0.74979%0.794SS**  trans-158.668.6167.4-125.2165.6000110.5
473L42.9Very low46.6Very low178 Ų178130 Ų13093%0.93281%0.805SS**  trans-160.177.4165.2-110.6163.5000108.4
474Q42.2Very low45.5Very low257 Ų257136 Ų136100%1.20184%0.838SS**  trans-162.30155.2-143.8171.1700110.5

Retrieved 474 of 474 residues in 303.3 ms (Link to these results)