A0A077ZED0_TRITR Loading...

Protein tumorous imaginal discs

AlphaFold DB , UniProt , Accession A0A077ZED0, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 475 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
1M39.4Very low36.3Very low238 Ų238181.4 Ų181.4100%1.17287%0.867SS**  077.70-71.4174.7-179.600108.2
2I32.7Very low36.3Very low165 Ų165180.9 Ų180.985%0.84687%0.871SS**  5998.8104-54.8173.3000114.1
3S37.5Very low36.4Very low109 Ų109176 Ų17676%0.76287%0.867SS**  trans-17599.3132.347.80000109.5
4R36Very low36.3Very low244 Ų244169.3 Ų169.392%0.92187%0.866SS**  75.493.4100.9-79-173177.9-177.91.6114.8
5I36.9Very low35.9Very low167 Ų167166.6 Ų166.686%0.85687%0.866SS**  trans-113.7122.4157.3-63.2171.8000107.2
6R35.8Very low36Very low240 Ų240170.2 Ų170.291%0.90687%0.865SS**PPolyproline II helixtrans-98.7134.8168-87.2-176.8171.2-169.4-2.3108.5
7P36.1Very low36.1Very low112 Ų112171.5 Ų171.573%0.72786%0.863SS**PPolyproline II helixtrans-91.9138.9167.833.9-27.3000110.8
8F37.7Very low36.1Very low205 Ų205165.9 Ų165.990%0.89986%0.857SS**PPolyproline II helixtrans-88.7119.3171.8-123.5-95.5000109
9F33.4Very low35.9Very low191 Ų191164.7 Ų164.784%0.83886%0.862SS**PPolyproline II helixtrans-77.9135.9165.8-96.1-100.7000109.2
10H39.9Very low35.6Very low177 Ų177168.6 Ų168.682%0.81987%0.865SS**  trans-131.2125.1156.2-134.8-83.9000110.5
11N34.3Very low35.6Very low147 Ų147166.1 Ų166.179%0.78686%0.863SS**  trans-58128.7175-98.8-52.4000111.4
12L36Very low35.3Very low176 Ų176162 Ų16292%0.92184%0.844SS**  trans-120.3100.9157.3-88.6161.3000107.6
13S37.3Very low35.2Very low117 Ų117162 Ų16282%0.81885%0.845SS**  trans-86.7121168.237.70000109.1
14G35.8Very low35Very low82 Ų82165.3 Ų165.385%0.84585%0.846SS**  trans150.562171.100000114.2
15C30.2Very low34.8Very low129 Ų129165.1 Ų165.187%0.87285%0.845SS**  trans-129.2127.7173.9-147.20000109.5
16R36.5Very low34.9Very low224 Ų224164.5 Ų164.585%0.84584%0.842SS**  trans-137.8115.6165.1-115-173.3-177.6-163.91.5108.5
17F37.9Very low34.8Very low192 Ų192163.9 Ų163.984%0.84284%0.841SS**  trans67.7125.4168.9-60.2-85.3000116
18G35.8Very low34.7Very low72 Ų72161.8 Ų161.874%0.74284%0.84SS**  cis178.2165.76.200000109.1
19C32.7Very low34.6Very low143 Ų143160.2 Ų160.297%0.96684%0.841SS**  trans81.2113179.2-97.20000119
20R30.6Very low34.6Very low241 Ų241154.3 Ų154.391%0.90983%0.834SS**  trans-70.7134177-70168.2156.1-166-6.7111.3
21S34.8Very low34.3Very low117 Ų117151.5 Ų151.582%0.81883%0.834SS**  trans-162.6112.7144.5-74.70000108.5
22I32.8Very low34.2Very low153 Ų153152.5 Ų152.579%0.78584%0.839SS**  trans-81.5122.6172.3-74.7159.9000106.6F24I22-F24 HydrophobicContact CG2-CD2 4.19Å; I22-F24 HydrophobicContact CG2-CE2 4.23Å
23L32.2Very low33.9Very low164 Ų164153.5 Ų153.586%0.85984%0.836SS**  trans-124114.4170.3-129.792.1000110
24F32.7Very low33.6Very low179 Ų179153.6 Ų153.679%0.78584%0.835SS**  trans-72.9133.1162.6-83.5-95.2000108.8I22I22-F24 HydrophobicContact CG2-CD2 4.19Å; I22-F24 HydrophobicContact CG2-CE2 4.23Å
25R31.2Very low33.4Very low240 Ų240157 Ų15791%0.90683%0.832SS**  trans-97.7102.4173.9-165.9168.3-174.3164.40.2108.6
26I38.9Very low33.6Very low154 Ų154158.7 Ų158.779%0.7983%0.833SS**  trans-99.3130.8166.7-63.1179.1000107.3
27Y33.8Very low33.2Very low226 Ų226157.5 Ų157.589%0.88683%0.834SS**  trans-66.3134.7170.9-99.5-104.7000110.1
28G34.1Very low33.2Very low68 Ų68153.6 Ų153.670%0.70183%0.831SS**  trans139.1115.1167.800000112.9
29D35.4Very low33.5Very low173 Ų173155.1 Ų155.193%0.92583%0.83SS**  trans4.2132.6159.6-58.3-36.7000119.8
30G34Very low33.9Very low67 Ų67159.4 Ų159.469%0.69183%0.826SS**  trans99.5101.9145.900000116.7
31S33.9Very low34.1Very low118 Ų118157.1 Ų157.183%0.82582%0.823SS**  trans50.4112.1146.755.50000119.2
32L31.7Very low34.2Very low168 Ų168156.8 Ų156.888%0.8882%0.82SS**  trans-132.3112.3162-94.1152.2000110.5
33F29.7Very low34.4Very low196 Ų196153.8 Ų153.886%0.8682%0.818SS**  trans-82.7134.8163.7-98.9-98000109.1
34C30.4Very low34.7Very low119 Ų119153 Ų15380%0.80482%0.815SS**  trans-127.9118.2163.7-870000109.4
35I32.9Very low34.9Very low153 Ų153152.2 Ų152.279%0.78581%0.811SS**  trans-90.5133.4171.4-56.1167000106.6
36N32.7Very low35.2Very low165 Ų165149.6 Ų149.688%0.88281%0.806SS**  trans-134.9133.1167-105.2-44.7000111.9
37F30.1Very low35Very low199 Ų199147.5 Ų147.587%0.87380%0.803SS**  trans-101.8129.8-164.3-166-95.9000109.5
38S37.3Very low35.5Very low111 Ų111145.1 Ų145.178%0.77680%0.8SS**  trans-146.2127.5167.4-177.30000103.2
39S41.2Very low35.7Very low104 Ų104149.4 Ų149.473%0.72781%0.806SS**  cis-171.4171.346350000109.7
40R40.6Very low36.1Very low233 Ų233149.4 Ų149.488%0.87981%0.805SS**  trans-72149-177.6-66.1171.8167.2-166.9-5.7114.3
41F36.5Very low36.7Very low193 Ų193151.9 Ų151.985%0.84681%0.807SS**  trans56.2105.5138.2-92.9-101.1000120.8
42S36.1Very low37.1Very low109 Ų109157.6 Ų157.676%0.76281%0.81SS**  169.7129.496.4-79.70000112.6
43A37.5Very low38Very low90 Ų90154.1 Ų154.174%0.74480%0.796SS**  trans9.1128.4158.200000120.3
44L37.6Very low38.8Very low149 Ų149154.5 Ų154.578%0.7880%0.798SS**  -177.1132.886.2-81.8172.4000110.2
45F37.3Very low39.9Very low161 Ų161156.3 Ų156.371%0.70679%0.794SS**  trans56.598.5143.7-80.8-91.6000121.6
46F36.8Very low40.7Very low185 Ų185157 Ų15781%0.81180%0.799SS**  151.6129.7110.6-91-77.3000110
47P35Very low41.1Very low110 Ų110154 Ų15471%0.71479%0.79SS**  trans-88.7143.6-177.235.7-29.1000110.1
48E44.4Very low41.6Very low176 Ų176148.3 Ų148.382%0.82278%0.78SS**  trans-176.4120.5139.3-103176.2-152.800112
49L39.7Very low41.7Very low158 Ų158152.7 Ų152.783%0.82779%0.786SS**  trans39.887.9146.6-63.7160000118.3
50L42.1Very low41.5Very low174 Ų174153.1 Ų153.191%0.91178%0.784SS**  trans-97.993.2160.3-91.1164.2000111.1
51T47.2Very low41.4Very low119 Ų119150.1 Ų150.173%0.7378%0.784SS**  trans-55.6126.7154.515.30000109.5T53T51-T53 PolarHBondContact O-N 3.08Å; T51-T53 VanDerWaalsContact O-N 3.11Å
52R42.4Very low41.5Very low237 Ų237149.2 Ų149.289%0.89478%0.783SS**  trans-71.4102.3175.7-77.3-177.5165.6-161.6-3.4110.2
53T49.8Very low42.1Very low96 Ų96148.3 Ų148.359%0.58978%0.782SS**  trans-87.6120.8163.944.60000109.7T51 H55T51-T53 PolarHBondContact O-N 3.08Å; T51-T53 VanDerWaalsContact O-N 3.11Å; T53-H55 PolarHBondContact O-N 3.31Å; T53-H55 PolarHBondContact OG1-CD2 3.5Å; T53-H55 PolarHBondContact OG1-NE2 3.09Å
54F48Very low43.1Very low203 Ų203151.6 Ų151.689%0.8978%0.775SS**  trans-67.7108.2164.4-66.8-88000107.8
55H53.7Low44.6Very low158 Ų158149.8 Ų149.873%0.73176%0.761SS**  trans-90.4123168.5-75.4-79.6000109T53 S57T53-H55 PolarHBondContact O-N 3.31Å; T53-H55 PolarHBondContact OG1-CD2 3.5Å; T53-H55 PolarHBondContact OG1-NE2 3.09Å; H55-S57 PolarHBondContact O-N 3.16Å
56L48.5Very low47Very low168 Ų168143.1 Ų143.188%0.8873%0.733SS**  trans-64.5113.7156.6-82.897.5000106.4A58L56-A58 VanDerWaalsContact C-N 3.35Å; L56-A58 PolarHBondContact O-N 3.13Å
57S41.2Very low49.5Very low100 Ų100135.4 Ų135.470%0.69970%0.698SS**  trans-59.3107.5159.847.50000106.2H55 F59H55-S57 PolarHBondContact O-N 3.16Å; S57-F59 PolarHBondContact O-N 3.15Å
58A41.4Very low52.2Low80 Ų80130.3 Ų130.366%0.66167%0.665SS**  trans-46.3116.1164.700000106.1L56 V60L56-A58 VanDerWaalsContact C-N 3.35Å; L56-A58 PolarHBondContact O-N 3.13Å; A58-V60 PolarHBondContact O-N 3.32Å
59F39.2Very low54.4Low204 Ų204128.9 Ų128.990%0.89566%0.658SS**  trans-59.284.5157-95.8-97.4000104.5S57 L61S57-F59 PolarHBondContact O-N 3.15Å; F59-L61 VanDerWaalsContact C-N 3.32Å; F59-L61 PolarHBondContact O-N 3.2Å
60V36.6Very low56.8Low113 Ų113122.8 Ų122.869%0.68563%0.627SS**  trans-50.2114.2155.61740000102.3A58 Q62A58-V60 PolarHBondContact O-N 3.32Å; V60-Q62 PolarHBondContact O-N 2.86Å
61L38.2Very low59.1Low170 Ų170114.8 Ų114.889%0.8959%0.585SS**  trans-45.883.9158.1-88.8143.1000105.8F59 A63F59-L61 VanDerWaalsContact C-N 3.32Å; F59-L61 PolarHBondContact O-N 3.2Å; L61-A63 PolarHBondContact O-N 3.31Å
62Q39.9Very low61.1Low174 Ų174112.3 Ų112.381%0.81358%0.583SS**  trans-70.197.5176.4-166.2171.9-13.400101.6V60 R64V60-Q62 PolarHBondContact O-N 2.86Å; Q62-R64 PolarHBondContact O-N 3.19Å
63A48.3Very low63.4Low90 Ų90102.1 Ų102.174%0.74455%0.546SS*.  trans-33.7102.5-174.400000107.9L61 K65L61-A63 PolarHBondContact O-N 3.31Å; A63-K65 PolarHBondContact O-N 2.81Å
64R58.1Low65.4Low158 Ų158101.3 Ų101.360%0.59654%0.543SS*.PPolyproline II helixtrans-61.7122.1-179.1-79.1-160.6-175.4133.54.9105.2Q62 D66 W153Q62-R64 PolarHBondContact O-N 3.19Å; R64-D66 PolarHBondContact O-N 3.37Å; R64-W153 VanDerWaalsContact NH2-CZ2 3.3Å
65K68.4Low67.2Low111 Ų11196.9 Ų96.948%0.48352%0.52SS..PPolyproline II helixtrans-58.4129.4179-66.4173.5173.3173.40107.3A63 Y67 V70 E110A63-K65 PolarHBondContact O-N 2.81Å; K65-Y67 PolarHBondContact O-N 3.06Å; K65-V70 HydrophobicContact CB-CG2 3.6Å; K65-V70 HydrophobicContact CD-CG2 4.29Å; K65-E110 IonicContact NZ-OE1 3.3Å; K65-E110 PolarHBondContact NZ-OE1 3.43Å; K65-E110 IonicContact NZ-OE2 2.58Å; K65-E110 PolarHBondContact NZ-OE2 3.24Å
66D87.5Confident68.7Low22 Ų2296.1 Ų96.112%0.11852%0.522CS..PPolyproline II helixtrans-59.3125174.3-179.3-7.2000108.3R64 Y68 E69 V70 R75 Y127R64-D66 PolarHBondContact O-N 3.37Å; D66-Y68 PolarHBondContact O-N 3.22Å; D66-Y68 WeakPolarHBondContact OD1-CD2 3.47Å; D66-Y68 PolarHBondContact OD1-N 3.31Å; D66-Y68 VanDerWaalsContact OD1-N 3.1Å; D66-E69 HydrophobicContact CB-CB 4.06Å; D66-E69 HydrophobicContact CB-CG 3.79Å; D66-E69 WeakPolarHBondContact O-CA 3.33Å; D66-E69 WeakPolarHBondContact O-CB 3.22Å; D66-E69 PolarHBondContact O-N 3.22Å; D66-V70 WeakPolarHBondContact O-CG2 3.34Å; D66-V70 PolarHBondContact O-N 3.13Å; D66-R75 IonicContact OD1-NH2 2.75Å; D66-R75 IonicContact OD2-CZ 3.83Å; D66-R75 IonicContact OD2-NE 2.68Å; D66-R75 IonicContact OD2-NH2 2.7Å; D66-R75 PolarHBondContact OD2-NH2 2.98Å; D66-Y127 WeakPolarHBondContact CA-OH 2.95Å; D66-Y127 PolarHBondContact OD1-OH 3.38Å
67Y90.4Very high70.6Confident22 Ų2288.4 Ų88.49%0.08648%0.482CS..Hα-helixtrans-63.8-27.5-175.8-66.5-45.7000111.7K65 V70 L71 E113 A114 I117 Y127K65-Y67 PolarHBondContact O-N 3.06Å; Y67-V70 PolarHBondContact O-N 2.93Å; Y67-L71 PolarHBondContact O-N 2.94Å; Y67-L71 VanDerWaalsContact O-N 3.12Å; Y67-E113 HydrophobicContact CE1-CG 4.05Å; Y67-E113 PolarHBondContact OH-OE1 2.8Å; Y67-A114 HydrophobicContact CD1-CB 3.68Å; Y67-A114 HydrophobicContact CG-CB 4.06Å; Y67-I117 HydrophobicContact CD2-CB 4.26Å; Y67-I117 HydrophobicContact CD2-CD1 4.1Å; Y67-I117 HydrophobicContact CD2-CG2 4.03Å; Y67-I117 HydrophobicContact CE1-CD1 4.26Å; Y67-I117 HydrophobicContact CE2-CB 4.19Å; Y67-I117 HydrophobicContact CE2-CD1 3.22Å; Y67-I117 HydrophobicContact CE2-CG1 4.28Å; Y67-I117 HydrophobicContact CE2-CG2 4.03Å; Y67-I117 WeakPolarHBondContact OH-CD1 3.43Å; Y67-Y127 HydrophobicContact CD2-CD1 4.13Å; Y67-Y127 AromaticContact CD2-CD2 3.55Å; Y67-Y127 HydrophobicContact CD2-CD2 3.55Å; Y67-Y127 AromaticContact CD2-CE1 3.8Å; Y67-Y127 HydrophobicContact CD2-CE1 3.8Å; Y67-Y127 AromaticContact CD2-CE2 3.18Å; Y67-Y127 HydrophobicContact CD2-CE2 3.18Å; Y67-Y127 AromaticContact CD2-CG 4Å; Y67-Y127 HydrophobicContact CD2-CG 4Å; Y67-Y127 AromaticContact CD2-CZ 3.31Å; Y67-Y127 AromaticContact CE2-CD2 3.53Å; Y67-Y127 HydrophobicContact CE2-CD2 3.53Å; Y67-Y127 AromaticContact CE2-CE2 3.29Å; Y67-Y127 HydrophobicContact CE2-CE2 3.29Å; Y67-Y127 HydrophobicContact CE2-CG 4.34Å; Y67-Y127 AromaticContact CE2-CZ 3.93Å; Y67-Y127 HydrophobicContact CG-CE1 4.43Å; Y67-Y127 HydrophobicContact CG-CE2 4.2Å; Y67-Y127 AromaticContact CG-CZ 3.97Å; Y67-Y127 PolarHBondContact N-OH 2.85Å
68Y91.7Very high72.8Confident4 Ų486.2 Ų86.22%0.01647%0.467CS..Hα-helixtrans-67.7-38.4173-64.9-77.5000111.3D66 G72 I73 R75 L118 R124 Y127 D128D66-Y68 PolarHBondContact O-N 3.22Å; D66-Y68 WeakPolarHBondContact OD1-CD2 3.47Å; D66-Y68 PolarHBondContact OD1-N 3.31Å; D66-Y68 VanDerWaalsContact OD1-N 3.1Å; Y68-G72 PolarHBondContact O-N 2.82Å; Y68-I73 HydrophobicContact CD1-CD1 4.22Å; Y68-I73 HydrophobicContact CD1-CG1 4.16Å; Y68-I73 PolarHBondContact O-N 3.16Å; Y68-R75 HydrophobicContact CD1-CB 4.48Å; Y68-R75 HydrophobicContact CD1-CG 4.21Å; Y68-R75 HydrophobicContact CD2-CG 3.67Å; Y68-R75 HydrophobicContact CE1-CB 4.48Å; Y68-R75 HydrophobicContact CE2-CG 4.01Å; Y68-R75 HydrophobicContact CG-CG 3.77Å; Y68-L118 HydrophobicContact CD1-CD1 4.18Å; Y68-L118 HydrophobicContact CD1-CD2 4.5Å; Y68-L118 HydrophobicContact CE1-CD1 4.26Å; Y68-L118 HydrophobicContact CE1-CD2 3.87Å; Y68-L118 HydrophobicContact CE2-CD2 3.98Å; Y68-R124 PolarHBondContact OH-NE 2.82Å; Y68-Y127 HydrophobicContact CD2-CE1 4.06Å; Y68-Y127 HydrophobicContact CE2-CD1 4.11Å; Y68-Y127 AromaticContact CE2-CE1 3.84Å; Y68-Y127 HydrophobicContact CE2-CE1 3.84Å; Y68-D128 VanDerWaalsContact CE2-OD1 3.28Å; Y68-D128 WeakPolarHBondContact CE2-OD1 3.23Å; Y68-D128 PolarHBondContact OH-OD1 3.07Å; Y68-D128 PolarHBondContact OH-OD2 2.9Å
69E90.6Very high75Confident146 Ų14685.4 Ų85.468%0.68245%0.45SS*.Hα-helixtrans-69.7-38.8173.8-66.6-177.3167.700112.3D66 L71 G72D66-E69 HydrophobicContact CB-CB 4.06Å; D66-E69 HydrophobicContact CB-CG 3.79Å; D66-E69 WeakPolarHBondContact O-CA 3.33Å; D66-E69 WeakPolarHBondContact O-CB 3.22Å; D66-E69 PolarHBondContact O-N 3.22Å; E69-L71 VanDerWaalsContact C-N 3.32Å; E69-L71 PolarHBondContact O-N 3.28Å; E69-G72 PolarHBondContact O-N 3.08Å; E69-G72 VanDerWaalsContact O-N 3.12Å
70V89Confident77.2Confident29 Ų2983.7 Ų83.718%0.17644%0.442CS..Hα-helixtrans-61.2-41.3177174.30000111.3K65 D66 Y67 L89 E110 V111 A114K65-V70 HydrophobicContact CB-CG2 3.6Å; K65-V70 HydrophobicContact CD-CG2 4.29Å; D66-V70 WeakPolarHBondContact O-CG2 3.34Å; D66-V70 PolarHBondContact O-N 3.13Å; Y67-V70 PolarHBondContact O-N 2.93Å; V70-L89 WeakPolarHBondContact O-CD1 3.37Å; V70-E110 HydrophobicContact CG1-CB 4.07Å; V70-V111 HydrophobicContact CG1-CG2 4.04Å; V70-A114 HydrophobicContact CB-CB 4.19Å; V70-A114 HydrophobicContact CG1-CB 4Å
71L90.1Very high79.7Confident6 Ų681.9 Ų81.93%0.03143%0.428CS..Hα-helixtrans-82.8-12.1176-70-177.9000113.5Y67 E69 I73 I82 A85 L89 V111 A114 L118Y67-L71 PolarHBondContact O-N 2.94Å; Y67-L71 VanDerWaalsContact O-N 3.12Å; E69-L71 VanDerWaalsContact C-N 3.32Å; E69-L71 PolarHBondContact O-N 3.28Å; L71-I73 HydrophobicContact CB-CD1 3.95Å; L71-I73 HydrophobicContact CB-CG1 3.81Å; L71-I73 HydrophobicContact CD1-CD1 3.97Å; L71-I82 HydrophobicContact CD1-CG2 4.01Å; L71-A85 HydrophobicContact CB-CB 4.4Å; L71-L89 HydrophobicContact CD2-CD1 4.08Å; L71-V111 HydrophobicContact CD2-CG1 4.02Å; L71-A114 HydrophobicContact CD1-CB 4.23Å; L71-A114 HydrophobicContact CD2-CB 4.29Å; L71-A114 HydrophobicContact CG-CB 3.86Å; L71-L118 HydrophobicContact CD1-CD1 3.79Å
72G89.7Confident82.2Confident67 Ų6773.8 Ų73.869%0.69139%0.386SS*.THydrogen-bonded Turntrans67.334.9-177.900000113.4Y68 E69Y68-G72 PolarHBondContact O-N 2.82Å; E69-G72 PolarHBondContact O-N 3.08Å; E69-G72 VanDerWaalsContact O-N 3.12Å
73I91.6Very high84.5Confident23 Ų2369.4 Ų69.412%0.11836%0.364CS..  trans-120.2150.6-177.655174.6000110.8Y68 L71 A77 I82 A85 L118Y68-I73 HydrophobicContact CD1-CD1 4.22Å; Y68-I73 HydrophobicContact CD1-CG1 4.16Å; Y68-I73 PolarHBondContact O-N 3.16Å; L71-I73 HydrophobicContact CB-CD1 3.95Å; L71-I73 HydrophobicContact CB-CG1 3.81Å; L71-I73 HydrophobicContact CD1-CD1 3.97Å; I73-A77 HydrophobicContact CB-CB 4.06Å; I73-A77 HydrophobicContact CD1-CB 4.12Å; I73-A77 HydrophobicContact CG1-CB 4.46Å; I73-I82 HydrophobicContact CD1-CB 4.21Å; I73-I82 HydrophobicContact CD1-CG1 3.44Å; I73-I82 VanDerWaalsContact CD1-CG1 3.44Å; I73-A85 HydrophobicContact CG2-CB 3.44Å; I73-A85 VanDerWaalsContact CG2-CB 3.44Å; I73-L118 HydrophobicContact CD1-CD1 4.41Å
74P90.5Very high86.4Confident80 Ų8071.3 Ų71.352%0.51936%0.355SS..  trans-72.3155.3173.432.9-36.7000110.9N76 A77P74-N76 VanDerWaalsContact CB-OD1 3.26Å; P74-N76 WeakPolarHBondContact CB-OD1 3.47Å; P74-N76 VanDerWaalsContact CG-OD1 3.26Å; P74-N76 WeakPolarHBondContact CG-OD1 3.48Å; P74-N76 PolarHBondContact O-N 2.83Å; P74-N76 VanDerWaalsContact O-N 3.13Å; P74-A77 HydrophobicContact CG-CB 4.37Å; P74-A77 WeakPolarHBondContact O-CB 3.23Å; P74-A77 PolarHBondContact O-N 3.38Å
75R86.3Confident88Confident110 Ų11064.3 Ų64.342%0.41533%0.332SS..THydrogen-bonded Turntrans-59.7-24.5-179.6-72.3168.6176.8-99.53.7114.6D66 Y68 A77 R124 E131D66-R75 IonicContact OD1-NH2 2.75Å; D66-R75 IonicContact OD2-CZ 3.83Å; D66-R75 IonicContact OD2-NE 2.68Å; D66-R75 IonicContact OD2-NH2 2.7Å; D66-R75 PolarHBondContact OD2-NH2 2.98Å; Y68-R75 HydrophobicContact CD1-CB 4.48Å; Y68-R75 HydrophobicContact CD1-CG 4.21Å; Y68-R75 HydrophobicContact CD2-CG 3.67Å; Y68-R75 HydrophobicContact CE1-CB 4.48Å; Y68-R75 HydrophobicContact CE2-CG 4.01Å; Y68-R75 HydrophobicContact CG-CG 3.77Å; R75-A77 VanDerWaalsContact C-N 3.31Å; R75-R124 PolarHBondContact O-NH2 3.19Å; R75-E131 IonicContact CZ-OE1 3.37Å; R75-E131 IonicContact CZ-OE2 2.64Å; R75-E131 VanDerWaalsContact CZ-OE2 3.3Å; R75-E131 VanDerWaalsContact NH1-CD 3.29Å; R75-E131 IonicContact NH1-OE1 2.83Å; R75-E131 PolarHBondContact NH1-OE1 2.81Å; R75-E131 IonicContact NH1-OE2 2.64Å; R75-E131 PolarHBondContact NH1-OE2 3.2Å; R75-E131 VanDerWaalsContact NH2-CD 3.26Å; R75-E131 IonicContact NH2-OE1 3.87Å; R75-E131 PolarHBondContact NH2-OE1 3.4Å; R75-E131 IonicContact NH2-OE2 3.39Å; R75-E131 PolarHBondContact NH2-OE2 3.47Å; R75-E131 VanDerWaalsContact NH2-OE2 3.14Å
76N86.5Confident89.1Confident141 Ų14159 Ų5975%0.75431%0.309SS*.THydrogen-bonded Turntrans-87.38.5176.368.5-12.1000113.8P74P74-N76 VanDerWaalsContact CB-OD1 3.26Å; P74-N76 WeakPolarHBondContact CB-OD1 3.47Å; P74-N76 VanDerWaalsContact CG-OD1 3.26Å; P74-N76 WeakPolarHBondContact CG-OD1 3.48Å; P74-N76 PolarHBondContact O-N 2.83Å; P74-N76 VanDerWaalsContact O-N 3.13Å
77A86.9Confident89.1Confident6 Ų663.2 Ų63.25%0.0532%0.323CS..  trans-59.7140.1-178.600000112.3I73 P74 R75 D81 I82 R124I73-A77 HydrophobicContact CB-CB 4.06Å; I73-A77 HydrophobicContact CD1-CB 4.12Å; I73-A77 HydrophobicContact CG1-CB 4.46Å; P74-A77 HydrophobicContact CG-CB 4.37Å; P74-A77 WeakPolarHBondContact O-CB 3.23Å; P74-A77 PolarHBondContact O-N 3.38Å; R75-A77 VanDerWaalsContact C-N 3.31Å; A77-D81 HydrophobicContact CB-CB 4.11Å; A77-I82 HydrophobicContact CB-CG1 4.4Å; A77-R124 PolarHBondContact O-NH1 2.72Å; A77-R124 PolarHBondContact O-NH2 2.77Å
78S88.2Confident89Confident55 Ų5567.9 Ų67.939%0.38535%0.346SS..  trans-72.5159173.8750000110.8K80 D81 I82S78-K80 PolarHBondContact O-N 3.2Å; S78-K80 VanDerWaalsContact O-N 3.09Å; S78-K80 PolarHBondContact OG-N 2.81Å; S78-D81 WeakPolarHBondContact CB-OD2 3.4Å; S78-D81 PolarHBondContact N-OD2 3.19Å; S78-D81 PolarHBondContact O-N 2.72Å; S78-D81 VanDerWaalsContact OG-CG 3.25Å; S78-D81 PolarHBondContact OG-N 2.86Å; S78-D81 PolarHBondContact OG-OD2 2.95Å; S78-I82 PolarHBondContact O-N 3.3Å; S78-I82 VanDerWaalsContact O-N 3.08Å
79Q87.1Confident89Confident63 Ų6369.4 Ų69.429%0.29436%0.355SS..Hα-helixtrans-54.8-30.2174.5-72.9-64.7-9.100112.8K83 L118 S119 E121Q79-K83 WeakPolarHBondContact O-CB 3.45Å; Q79-K83 PolarHBondContact O-N 3.17Å; Q79-K83 VanDerWaalsContact O-N 3.13Å; Q79-L118 PolarHBondContact NE2-O 3.43Å; Q79-L118 VanDerWaalsContact NE2-O 3.16Å; Q79-L118 PolarHBondContact OE1-O 3.07Å; Q79-S119 PolarHBondContact OE1-O 2.97Å; Q79-E121 PolarHBondContact NE2-OE2 3.21Å
80K86.1Confident88.9Confident168 Ų16862.5 Ų62.573%0.7332%0.322SS*.Hα-helixtrans-67.2-38.7175.4-172.6-179.9178.8-177.20112.1S78 K84S78-K80 PolarHBondContact O-N 3.2Å; S78-K80 VanDerWaalsContact O-N 3.09Å; S78-K80 PolarHBondContact OG-N 2.81Å; K80-K84 WeakPolarHBondContact O-CB 3.48Å; K80-K84 PolarHBondContact O-N 2.96Å
81D88.8Confident88.8Confident75 Ų7567.6 Ų67.640%0.40134%0.342SS..Hα-helixtrans-73.2-40.7-179.9-58.4-45000111.1A77 S78 K83 K84 A85A77-D81 HydrophobicContact CB-CB 4.11Å; S78-D81 WeakPolarHBondContact CB-OD2 3.4Å; S78-D81 PolarHBondContact N-OD2 3.19Å; S78-D81 PolarHBondContact O-N 2.72Å; S78-D81 VanDerWaalsContact OG-CG 3.25Å; S78-D81 PolarHBondContact OG-N 2.86Å; S78-D81 PolarHBondContact OG-OD2 2.95Å; D81-K83 VanDerWaalsContact C-N 3.32Å; D81-K83 PolarHBondContact O-N 2.87Å; D81-K84 PolarHBondContact O-N 3.44Å; D81-K84 VanDerWaalsContact O-N 3.17Å; D81-A85 WeakPolarHBondContact O-CB 3.46Å; D81-A85 PolarHBondContact O-N 3.47Å
82I90.2Very high88.7Confident0 Ų073.6 Ų73.60%037%0.368CS..Hα-helixtrans-54.5-49.3172.2-66.9162.5000110.3L71 I73 A77 S78 K84 A85 Y86 Y115 L118L71-I82 HydrophobicContact CD1-CG2 4.01Å; I73-I82 HydrophobicContact CD1-CB 4.21Å; I73-I82 HydrophobicContact CD1-CG1 3.44Å; I73-I82 VanDerWaalsContact CD1-CG1 3.44Å; A77-I82 HydrophobicContact CB-CG1 4.4Å; S78-I82 PolarHBondContact O-N 3.3Å; S78-I82 VanDerWaalsContact O-N 3.08Å; I82-K84 PolarHBondContact O-N 3.47Å; I82-A85 PolarHBondContact O-N 3.1Å; I82-Y86 WeakPolarHBondContact O-CB 3.49Å; I82-Y86 PolarHBondContact O-N 2.9Å; I82-Y115 HydrophobicContact CG2-CD2 3.91Å; I82-Y115 HydrophobicContact CG2-CE2 4.15Å; I82-L118 HydrophobicContact CD1-CB 4.23Å; I82-L118 HydrophobicContact CG2-CB 4.03Å
83K88.9Confident88.7Confident81 Ų8172.5 Ų72.535%0.35234%0.343SS..Hα-helixtrans-63.9-38178.2-170.3173.3-176.6173.80113.3Q79 D81 Y87 Y115Q79-K83 WeakPolarHBondContact O-CB 3.45Å; Q79-K83 PolarHBondContact O-N 3.17Å; Q79-K83 VanDerWaalsContact O-N 3.13Å; D81-K83 VanDerWaalsContact C-N 3.32Å; D81-K83 PolarHBondContact O-N 2.87Å; K83-Y87 PolarHBondContact O-N 3.09Å; K83-Y87 VanDerWaalsContact O-N 3.08Å; K83-Y115 HydrophobicContact CB-CE2 4.2Å; K83-Y115 HydrophobicContact CG-CE2 4.4Å
84K88.6Confident88.3Confident130 Ų13073.6 Ų73.657%0.56535%0.348SS*.Hα-helixtrans-68.6-43.2177.9-171.7-179177.4-1720111.7K80 D81 I82 Y87 Q88K80-K84 WeakPolarHBondContact O-CB 3.48Å; K80-K84 PolarHBondContact O-N 2.96Å; D81-K84 PolarHBondContact O-N 3.44Å; D81-K84 VanDerWaalsContact O-N 3.17Å; I82-K84 PolarHBondContact O-N 3.47Å; K84-Y87 PolarHBondContact O-N 3.01Å; K84-Q88 WeakPolarHBondContact O-CG 3.38Å; K84-Q88 PolarHBondContact O-N 2.84Å; K84-Q88 VanDerWaalsContact O-N 3.16Å
85A91.2Very high87.9Confident12 Ų1272.2 Ų72.210%0.09934%0.338CS..Hα-helixtrans-63.5-46.3177.300000111.5L71 I73 D81 I82 Y87 Q88 L89L71-A85 HydrophobicContact CB-CB 4.4Å; I73-A85 HydrophobicContact CG2-CB 3.44Å; I73-A85 VanDerWaalsContact CG2-CB 3.44Å; D81-A85 WeakPolarHBondContact O-CB 3.46Å; D81-A85 PolarHBondContact O-N 3.47Å; I82-A85 PolarHBondContact O-N 3.1Å; A85-Y87 VanDerWaalsContact C-N 3.34Å; A85-Y87 PolarHBondContact O-N 2.74Å; A85-Q88 PolarHBondContact O-N 3.24Å; A85-L89 WeakPolarHBondContact O-CG 3.46Å; A85-L89 PolarHBondContact O-N 3.12Å
86Y91.2Very high87.7Confident0 Ų071.8 Ų71.80%035%0.345CS..Hα-helixtrans-56.2-46.3173.9175.4-120.4000112I82 Q88 L89 A90 V111 Y115 I169 F170I82-Y86 WeakPolarHBondContact O-CB 3.49Å; I82-Y86 PolarHBondContact O-N 2.9Å; Y86-Q88 VanDerWaalsContact C-N 3.34Å; Y86-Q88 PolarHBondContact O-N 2.74Å; Y86-L89 PolarHBondContact O-N 3.35Å; Y86-A90 HydrophobicContact CD2-CB 4.47Å; Y86-A90 HydrophobicContact CE2-CB 4.18Å; Y86-A90 WeakPolarHBondContact O-CB 3.2Å; Y86-A90 PolarHBondContact O-N 3.14Å; Y86-V111 HydrophobicContact CD2-CG1 3.53Å; Y86-V111 HydrophobicContact CE2-CG1 3.88Å; Y86-Y115 AromaticContact CD1-CD1 3.93Å; Y86-Y115 HydrophobicContact CD1-CD1 3.93Å; Y86-Y115 AromaticContact CD1-CD2 3.65Å; Y86-Y115 HydrophobicContact CD1-CD2 3.65Å; Y86-Y115 HydrophobicContact CD1-CE1 4.22Å; Y86-Y115 AromaticContact CD1-CE2 3.91Å; Y86-Y115 HydrophobicContact CD1-CE2 3.91Å; Y86-Y115 AromaticContact CD1-CG 3.62Å; Y86-Y115 HydrophobicContact CD1-CG 3.62Å; Y86-Y115 HydrophobicContact CD2-CD2 4.24Å; Y86-Y115 AromaticContact CD2-CG 3.88Å; Y86-Y115 HydrophobicContact CD2-CG 3.88Å; Y86-Y115 AromaticContact CE1-CD1 3.96Å; Y86-Y115 HydrophobicContact CE1-CD1 3.96Å; Y86-Y115 HydrophobicContact CE1-CD2 4.49Å; Y86-Y115 HydrophobicContact CE1-CE1 4.32Å; Y86-Y115 HydrophobicContact CE1-CG 4.04Å; Y86-Y115 HydrophobicContact CE2-CG 4.34Å; Y86-Y115 HydrophobicContact CG-CD1 4.29Å; Y86-Y115 AromaticContact CG-CD2 3.51Å; Y86-Y115 HydrophobicContact CG-CD2 3.51Å; Y86-Y115 HydrophobicContact CG-CE2 4.17Å; Y86-Y115 AromaticContact CG-CG 3.54Å; Y86-Y115 HydrophobicContact CG-CG 3.54Å; Y86-I169 HydrophobicContact CE1-CD1 3.73Å; Y86-F170 AromaticContact CD1-CE2 3.47Å; Y86-F170 HydrophobicContact CD1-CE2 3.47Å; Y86-F170 VanDerWaalsContact CD1-CE2 3.47Å; Y86-F170 AromaticContact CD1-CZ 3.62Å; Y86-F170 HydrophobicContact CD1-CZ 3.62Å; Y86-F170 HydrophobicContact CE1-CD2 4.19Å; Y86-F170 AromaticContact CE1-CE2 3.24Å; Y86-F170 HydrophobicContact CE1-CE2 3.24Å; Y86-F170 AromaticContact CE1-CZ 3.89Å; Y86-F170 HydrophobicContact CE1-CZ 3.89Å
87Y87.5Confident87.6Confident109 Ų10969.9 Ų69.943%0.42734%0.338SS..Hα-helixtrans-58.9-43.1178.4-178.5-102.4000113K83 K84 A85 K91 F170K83-Y87 PolarHBondContact O-N 3.09Å; K83-Y87 VanDerWaalsContact O-N 3.08Å; K84-Y87 PolarHBondContact O-N 3.01Å; A85-Y87 VanDerWaalsContact C-N 3.34Å; A85-Y87 PolarHBondContact O-N 2.74Å; Y87-K91 WeakPolarHBondContact O-CB 3.04Å; Y87-K91 PolarHBondContact O-N 3.41Å; Y87-K91 VanDerWaalsContact O-N 3.08Å; Y87-F170 AromaticContact CD2-CD1 3.8Å; Y87-F170 HydrophobicContact CD2-CD1 3.8Å; Y87-F170 AromaticContact CD2-CE1 3.45Å; Y87-F170 HydrophobicContact CD2-CE1 3.45Å; Y87-F170 VanDerWaalsContact CD2-CE1 3.45Å; Y87-F170 HydrophobicContact CD2-CE2 4.27Å; Y87-F170 HydrophobicContact CD2-CG 4.42Å; Y87-F170 AromaticContact CD2-CZ 3.71Å; Y87-F170 HydrophobicContact CD2-CZ 3.71Å; Y87-F170 HydrophobicContact CE2-CD1 4.27Å; Y87-F170 HydrophobicContact CE2-CE1 4.33Å; Y87-F170 HydrophobicContact CG-CE1 4.15Å; Y87-F170 HydrophobicContact CG-CZ 4.25Å
88Q88.5Confident87.4Confident121 Ų12172 Ų7257%0.56535%0.348SS*.Hα-helixtrans-66.4-43.4-179.7-70.9179.9-800112K84 A85 Y86 K92K84-Q88 WeakPolarHBondContact O-CG 3.38Å; K84-Q88 PolarHBondContact O-N 2.84Å; K84-Q88 VanDerWaalsContact O-N 3.16Å; A85-Q88 PolarHBondContact O-N 3.24Å; Y86-Q88 VanDerWaalsContact C-N 3.34Å; Y86-Q88 PolarHBondContact O-N 2.74Å; Q88-K92 WeakPolarHBondContact O-CB 3.49Å; Q88-K92 PolarHBondContact O-N 3.27Å
89L91.3Very high87Confident36 Ų3676.8 Ų76.819%0.18836%0.362CS..Hα-helixtrans-73.4-41179.9-66.9170.3000112V70 L71 A85 Y86 K91 K92 Y93 V111V70-L89 WeakPolarHBondContact O-CD1 3.37Å; L71-L89 HydrophobicContact CD2-CD1 4.08Å; A85-L89 WeakPolarHBondContact O-CG 3.46Å; A85-L89 PolarHBondContact O-N 3.12Å; Y86-L89 PolarHBondContact O-N 3.35Å; L89-K91 PolarHBondContact O-N 2.81Å; L89-K92 PolarHBondContact O-N 3.46Å; L89-K92 VanDerWaalsContact O-N 3.13Å; L89-Y93 HydrophobicContact CB-CD2 4.42Å; L89-Y93 HydrophobicContact CD2-CE2 3.97Å; L89-Y93 VanDerWaalsContact O-CD2 3.27Å; L89-Y93 WeakPolarHBondContact O-CD2 3.47Å; L89-Y93 PolarHBondContact O-N 2.79Å; L89-V111 HydrophobicContact CB-CG1 3.73Å; L89-V111 HydrophobicContact CB-CG2 3.97Å; L89-V111 HydrophobicContact CD1-CG1 4.42Å; L89-V111 HydrophobicContact CD1-CG2 4.03Å
90A88.9Confident86.6Confident0 Ų081.3 Ų81.30%039%0.388CS..Hα-helixtrans-60.3-44.4176.200000111.5Y86 K92 Y93 H94 F108 F166Y86-A90 HydrophobicContact CD2-CB 4.47Å; Y86-A90 HydrophobicContact CE2-CB 4.18Å; Y86-A90 WeakPolarHBondContact O-CB 3.2Å; Y86-A90 PolarHBondContact O-N 3.14Å; A90-K92 VanDerWaalsContact C-N 3.3Å; A90-K92 PolarHBondContact O-N 2.62Å; A90-Y93 PolarHBondContact O-N 2.84Å; A90-H94 WeakPolarHBondContact O-CB 3.37Å; A90-H94 PolarHBondContact O-N 2.95Å; A90-F108 HydrophobicContact CB-CE2 3.89Å; A90-F166 HydrophobicContact CB-CD2 3.84Å; A90-F166 HydrophobicContact CB-CE2 3.81Å
91K87.2Confident86.5Confident136 Ų13677 Ų7759%0.59137%0.374SS*.Hα-helixtrans-63.3-36.9175-174.5176.6-179.8178.80112.2Y87 L89Y87-K91 WeakPolarHBondContact O-CB 3.04Å; Y87-K91 PolarHBondContact O-N 3.41Å; Y87-K91 VanDerWaalsContact O-N 3.08Å; L89-K91 PolarHBondContact O-N 2.81Å
92K87.9Confident86Confident132 Ų13278.3 Ų78.357%0.57439%0.386SS*.Hα-helixtrans-71.9-35.5-179.9-172.4177.1-178.9-179.50112.5Q88 L89 A90 N98Q88-K92 WeakPolarHBondContact O-CB 3.49Å; Q88-K92 PolarHBondContact O-N 3.27Å; L89-K92 PolarHBondContact O-N 3.46Å; L89-K92 VanDerWaalsContact O-N 3.13Å; A90-K92 VanDerWaalsContact C-N 3.3Å; A90-K92 PolarHBondContact O-N 2.62Å; K92-N98 PolarHBondContact O-ND2 3.3Å
93Y89Confident85.7Confident44 Ų4484 Ų8417%0.17341%0.412CS..Hα-helixtrans-104.85.9-175.7-63.3-57.8000114.6L89 A90 A104 K107L89-Y93 HydrophobicContact CB-CD2 4.42Å; L89-Y93 HydrophobicContact CD2-CE2 3.97Å; L89-Y93 VanDerWaalsContact O-CD2 3.27Å; L89-Y93 WeakPolarHBondContact O-CD2 3.47Å; L89-Y93 PolarHBondContact O-N 2.79Å; A90-Y93 PolarHBondContact O-N 2.84Å; Y93-A104 HydrophobicContact CD1-CB 4.39Å; Y93-K107 HydrophobicContact CD1-CB 4Å; Y93-K107 HydrophobicContact CD1-CD 4.16Å; Y93-K107 HydrophobicContact CD2-CB 4.03Å; Y93-K107 HydrophobicContact CE1-CB 4.17Å; Y93-K107 HydrophobicContact CE1-CD 3.54Å; Y93-K107 HydrophobicContact CE1-CG 4.49Å; Y93-K107 HydrophobicContact CE2-CB 4.18Å; Y93-K107 HydrophobicContact CE2-CD 4.3Å; Y93-K107 HydrophobicContact CG-CB 3.95Å
94H84.3Confident85.5Confident47 Ų4780.2 Ų80.222%0.21840%0.396CS..  trans-57.1134.3179.6-166.3-91.4000111.7A90 D96 V97 N98A90-H94 WeakPolarHBondContact O-CB 3.37Å; A90-H94 PolarHBondContact O-N 2.95Å; H94-D96 VanDerWaalsContact ND1-CB 3.28Å; H94-D96 WeakPolarHBondContact ND1-CB 3.47Å; H94-D96 PolarHBondContact ND1-N 2.97Å; H94-D96 VanDerWaalsContact ND1-N 3.18Å; H94-D96 PolarHBondContact O-N 3.4Å; H94-V97 HydrophobicContact CB-CG2 4.24Å; H94-V97 PolarHBondContact O-N 3.44Å; H94-N98 PolarHBondContact O-N 3.48Å; H94-N98 PolarHBondContact O-ND2 3.11Å
95P81Confident85.2Confident50 Ų5076.8 Ų76.833%0.32539%0.392SS..THydrogen-bonded Turntrans-64.8-26.6-175.122.3-31.2000113.4V97 N98 K99 E163P95-V97 VanDerWaalsContact C-N 3.31Å; P95-V97 PolarHBondContact O-N 2.94Å; P95-N98 CarbonylContact O-C 3.51Å; P95-N98 PolarHBondContact O-N 3.37Å; P95-K99 WeakPolarHBondContact O-CG 3.47Å; P95-K99 PolarHBondContact O-N 3.14Å; P95-E163 WeakPolarHBondContact CD-OE1 3.28Å; P95-E163 WeakPolarHBondContact CG-OE1 3.37Å
96D82.2Confident85Confident102 Ų10283 Ų8355%0.54542%0.417SS..THydrogen-bonded Turntrans-69.4-28.5174.2-164.835.1000112.9H94 K99H94-D96 VanDerWaalsContact ND1-CB 3.28Å; H94-D96 WeakPolarHBondContact ND1-CB 3.47Å; H94-D96 PolarHBondContact ND1-N 2.97Å; H94-D96 VanDerWaalsContact ND1-N 3.18Å; H94-D96 PolarHBondContact O-N 3.4Å; D96-K99 VanDerWaalsContact O-CE 3.25Å; D96-K99 WeakPolarHBondContact O-CE 3.2Å; D96-K99 WeakPolarHBondContact OD1-CE 3.22Å; D96-K99 IonicContact OD1-NZ 2.71Å; D96-K99 PolarHBondContact OD1-NZ 2.79Å
97V84.2Confident84.8Confident100 Ų10086.7 Ų86.761%0.60643%0.433SS*.THydrogen-bonded Turntrans-82.9-33.8175.7-176.90000110.6H94 P95H94-V97 HydrophobicContact CB-CG2 4.24Å; H94-V97 PolarHBondContact O-N 3.44Å; P95-V97 VanDerWaalsContact C-N 3.31Å; P95-V97 PolarHBondContact O-N 2.94Å
98N83.1Confident84.9Confident50 Ų5081.8 Ų81.827%0.26741%0.414SS..  trans-117.461.2-175.9-56.4-65.9000112.8K92 H94 P95 N100 D101 A104K92-N98 PolarHBondContact O-ND2 3.3Å; H94-N98 PolarHBondContact O-N 3.48Å; H94-N98 PolarHBondContact O-ND2 3.11Å; P95-N98 CarbonylContact O-C 3.51Å; P95-N98 PolarHBondContact O-N 3.37Å; N98-N100 PolarHBondContact O-N 3Å; N98-N100 VanDerWaalsContact O-N 3.12Å; N98-D101 PolarHBondContact O-N 3.29Å; N98-A104 HydrophobicContact CB-CB 3.58Å
99K79.1Confident84.9Confident156 Ų15681.7 Ų81.768%0.67841%0.413SS*.THydrogen-bonded Turntrans-61.8-21.6-176.6-67.1178.4178.1168.10114.8P95 D96P95-K99 WeakPolarHBondContact O-CG 3.47Å; P95-K99 PolarHBondContact O-N 3.14Å; D96-K99 VanDerWaalsContact O-CE 3.25Å; D96-K99 WeakPolarHBondContact O-CE 3.2Å; D96-K99 WeakPolarHBondContact OD1-CE 3.22Å; D96-K99 IonicContact OD1-NZ 2.71Å; D96-K99 PolarHBondContact OD1-NZ 2.79Å
100N80.2Confident84.8Confident159 Ų15982.9 Ų82.985%0.8542%0.418SS*.THydrogen-bonded Turntrans-110.5-4.5-170.7-60.2-23.1000114.2N98 P102N98-N100 PolarHBondContact O-N 3Å; N98-N100 VanDerWaalsContact O-N 3.12Å; N100-P102 WeakPolarHBondContact O-CD 3.26Å
101D82.3Confident84.9Confident78 Ų7883 Ų8342%0.41742%0.419SS..  trans-107.1106.9-176.4-173.90.6000111.6N98 Q103 A104N98-D101 PolarHBondContact O-N 3.29Å; D101-Q103 PolarHBondContact O-N 3.03Å; D101-Q103 WeakPolarHBondContact OD1-CB 3.48Å; D101-Q103 PolarHBondContact OD1-N 3.09Å; D101-A104 HydrophobicContact CB-CB 4.15Å; D101-A104 WeakPolarHBondContact O-CB 3.42Å; D101-A104 PolarHBondContact O-N 2.68Å; D101-A104 VanDerWaalsContact O-N 3.15Å
102P79.5Confident85Confident102 Ų10276.8 Ų76.866%0.66239%0.393SS*.Hα-helixtrans-66.7-17.6177.427.7-33.8000113.3N100N100-P102 WeakPolarHBondContact O-CD 3.26Å
103Q83.2Confident85.1Confident119 Ų11973.3 Ų73.356%0.55638%0.378SS*.Hα-helixtrans-78-25.5174.1-63.6-154.8-1.600112.9D101 A105 K106 K107D101-Q103 PolarHBondContact O-N 3.03Å; D101-Q103 WeakPolarHBondContact OD1-CB 3.48Å; D101-Q103 PolarHBondContact OD1-N 3.09Å; Q103-A105 VanDerWaalsContact C-N 3.33Å; Q103-A105 PolarHBondContact O-N 3.03Å; Q103-K106 PolarHBondContact O-N 3.05Å; Q103-K107 WeakPolarHBondContact O-CG 3.36Å; Q103-K107 PolarHBondContact O-N 3.14Å
104A84.9Confident85.2Confident2 Ų271.2 Ų71.22%0.01737%0.37CS..Hα-helixtrans-62.8-41.4178.200000111.2Y93 N98 D101 K106 K107 F108Y93-A104 HydrophobicContact CD1-CB 4.39Å; N98-A104 HydrophobicContact CB-CB 3.58Å; D101-A104 HydrophobicContact CB-CB 4.15Å; D101-A104 WeakPolarHBondContact O-CB 3.42Å; D101-A104 PolarHBondContact O-N 2.68Å; D101-A104 VanDerWaalsContact O-N 3.15Å; A104-K106 PolarHBondContact O-N 3.36Å; A104-K107 PolarHBondContact O-N 2.86Å; A104-F108 WeakPolarHBondContact O-CB 3.44Å; A104-F108 PolarHBondContact O-N 3.32Å
105A83.5Confident85.5Confident58 Ų5870 Ų7048%0.47936%0.364SS..Hα-helixtrans-60.5-43175.100000112.5Q103 F108 Q109Q103-A105 VanDerWaalsContact C-N 3.33Å; Q103-A105 PolarHBondContact O-N 3.03Å; A105-F108 PolarHBondContact O-N 3.44Å; A105-Q109 PolarHBondContact O-N 2.91Å
106K86.4Confident85.9Confident143 Ų14369.1 Ų69.162%0.62236%0.355SS*.Hα-helixtrans-64.8-43.4176.6-69.2-174.2178.2-177.10112.1Q103 A104 Q109 E110Q103-K106 PolarHBondContact O-N 3.05Å; A104-K106 PolarHBondContact O-N 3.36Å; K106-Q109 WeakPolarHBondContact O-CB 3.37Å; K106-Q109 PolarHBondContact O-N 3.43Å; K106-E110 WeakPolarHBondContact O-CG 3.49Å; K106-E110 PolarHBondContact O-N 3.27Å
107K87.6Confident86.3Confident76 Ų7664.6 Ų64.633%0.3333%0.331SS..Hα-helixtrans-66.6-37.8177.1-71.1-179.7-177172.70111.9Y93 Q103 A104 Q109 E110 V111Y93-K107 HydrophobicContact CD1-CB 4Å; Y93-K107 HydrophobicContact CD1-CD 4.16Å; Y93-K107 HydrophobicContact CD2-CB 4.03Å; Y93-K107 HydrophobicContact CE1-CB 4.17Å; Y93-K107 HydrophobicContact CE1-CD 3.54Å; Y93-K107 HydrophobicContact CE1-CG 4.49Å; Y93-K107 HydrophobicContact CE2-CB 4.18Å; Y93-K107 HydrophobicContact CE2-CD 4.3Å; Y93-K107 HydrophobicContact CG-CB 3.95Å; Q103-K107 WeakPolarHBondContact O-CG 3.36Å; Q103-K107 PolarHBondContact O-N 3.14Å; A104-K107 PolarHBondContact O-N 2.86Å; K107-Q109 VanDerWaalsContact C-N 3.33Å; K107-E110 PolarHBondContact O-N 3.15Å; K107-V111 WeakPolarHBondContact O-CB 3.5Å; K107-V111 WeakPolarHBondContact O-CG2 3.47Å; K107-V111 PolarHBondContact O-N 3.07Å
108F89.8Confident86.6Confident7 Ų759.8 Ų59.83%0.03130%0.302CS..Hα-helixtrans-61.4-44.1174.4-171.9-110.3000111.1A90 A104 A105 V111 S112 P162 F166A90-F108 HydrophobicContact CB-CE2 3.89Å; A104-F108 WeakPolarHBondContact O-CB 3.44Å; A104-F108 PolarHBondContact O-N 3.32Å; A105-F108 PolarHBondContact O-N 3.44Å; F108-V111 PolarHBondContact O-N 3.47Å; F108-S112 WeakPolarHBondContact O-CB 3.28Å; F108-S112 PolarHBondContact O-N 3.08Å; F108-S112 PolarHBondContact O-OG 3.39Å; F108-P162 HydrophobicContact CD1-CB 3.62Å; F108-P162 HydrophobicContact CE1-CB 3.4Å; F108-P162 VanDerWaalsContact CE1-CB 3.4Å; F108-P162 HydrophobicContact CZ-CB 4.45Å; F108-F166 HydrophobicContact CZ-CB 4.25Å
109Q87.4Confident86.7Confident118 Ų11859.4 Ų59.455%0.55130%0.303SS*.Hα-helixtrans-60.8-46.9175.7-170.1175.85.700112.4A105 K106 K107 V111 S112 E113 P162A105-Q109 PolarHBondContact O-N 2.91Å; K106-Q109 WeakPolarHBondContact O-CB 3.37Å; K106-Q109 PolarHBondContact O-N 3.43Å; K107-Q109 VanDerWaalsContact C-N 3.33Å; Q109-V111 VanDerWaalsContact C-N 3.35Å; Q109-V111 PolarHBondContact O-N 3.06Å; Q109-S112 PolarHBondContact O-N 2.66Å; Q109-E113 WeakPolarHBondContact O-CB 3.49Å; Q109-E113 PolarHBondContact O-N 2.96Å; Q109-P162 HydrophobicContact CG-CG 4.43Å
110E89.3Confident87.1Confident61 Ų6156 Ų5629%0.28529%0.292SS..Hα-helixtrans-60.7-42.6177-70.9174.9-176.400112.1K65 V70 K106 K107 E113 A114K65-E110 IonicContact NZ-OE1 3.3Å; K65-E110 PolarHBondContact NZ-OE1 3.43Å; K65-E110 IonicContact NZ-OE2 2.58Å; K65-E110 PolarHBondContact NZ-OE2 3.24Å; V70-E110 HydrophobicContact CG1-CB 4.07Å; K106-E110 WeakPolarHBondContact O-CG 3.49Å; K106-E110 PolarHBondContact O-N 3.27Å; K107-E110 PolarHBondContact O-N 3.15Å; E110-E113 PolarHBondContact O-N 3.46Å; E110-A114 WeakPolarHBondContact O-CB 3.39Å; E110-A114 PolarHBondContact O-N 3.08Å
111V91.4Very high87.4Confident4 Ų452.9 Ų52.92%0.02427%0.273CS..Hα-helixtrans-66.8-39179.1165.60000111.8V70 L71 Y86 L89 K107 F108 Q109 Y115V70-V111 HydrophobicContact CG1-CG2 4.04Å; L71-V111 HydrophobicContact CD2-CG1 4.02Å; Y86-V111 HydrophobicContact CD2-CG1 3.53Å; Y86-V111 HydrophobicContact CE2-CG1 3.88Å; L89-V111 HydrophobicContact CB-CG1 3.73Å; L89-V111 HydrophobicContact CB-CG2 3.97Å; L89-V111 HydrophobicContact CD1-CG1 4.42Å; L89-V111 HydrophobicContact CD1-CG2 4.03Å; K107-V111 WeakPolarHBondContact O-CB 3.5Å; K107-V111 WeakPolarHBondContact O-CG2 3.47Å; K107-V111 PolarHBondContact O-N 3.07Å; F108-V111 PolarHBondContact O-N 3.47Å; Q109-V111 VanDerWaalsContact C-N 3.35Å; Q109-V111 PolarHBondContact O-N 3.06Å; V111-Y115 PolarHBondContact O-N 3.31Å; V111-Y115 VanDerWaalsContact O-N 3.08Å
112S89.7Confident87.5Confident5 Ų550.6 Ų50.64%0.03527%0.268CS..Hα-helixtrans-67.9-40.8175.1-69.50000112.4F108 Q109 Y115 E116F108-S112 WeakPolarHBondContact O-CB 3.28Å; F108-S112 PolarHBondContact O-N 3.08Å; F108-S112 PolarHBondContact O-OG 3.39Å; Q109-S112 PolarHBondContact O-N 2.66Å; S112-Y115 PolarHBondContact O-N 3.38Å; S112-E116 PolarHBondContact O-N 3.03Å
113E89.3Confident87.9Confident59 Ų5949 Ų4928%0.27625%0.25SS..Hα-helixtrans-62-46.9175-172.6-174.715700111.3Y67 Q109 E110 Y115 E116 I117Y67-E113 HydrophobicContact CE1-CG 4.05Å; Y67-E113 PolarHBondContact OH-OE1 2.8Å; Q109-E113 WeakPolarHBondContact O-CB 3.49Å; Q109-E113 PolarHBondContact O-N 2.96Å; E110-E113 PolarHBondContact O-N 3.46Å; E113-Y115 VanDerWaalsContact C-N 3.31Å; E113-Y115 PolarHBondContact O-N 3.28Å; E113-E116 PolarHBondContact O-N 2.85Å; E113-I117 HydrophobicContact CG-CD1 4.32Å; E113-I117 PolarHBondContact O-N 3.45Å
114A91.1Very high88.2Confident0 Ų044.4 Ų44.40%023%0.228CC..Hα-helixtrans-58.7-42.9176.800000111.9Y67 V70 L71 E110 L118Y67-A114 HydrophobicContact CD1-CB 3.68Å; Y67-A114 HydrophobicContact CG-CB 4.06Å; V70-A114 HydrophobicContact CB-CB 4.19Å; V70-A114 HydrophobicContact CG1-CB 4Å; L71-A114 HydrophobicContact CD1-CB 4.23Å; L71-A114 HydrophobicContact CD2-CB 4.29Å; L71-A114 HydrophobicContact CG-CB 3.86Å; E110-A114 WeakPolarHBondContact O-CB 3.39Å; E110-A114 PolarHBondContact O-N 3.08Å; A114-L118 VanDerWaalsContact O-CB 3.31Å; A114-L118 WeakPolarHBondContact O-CB 3.48Å; A114-L118 VanDerWaalsContact O-CG 3.31Å; A114-L118 WeakPolarHBondContact O-CG 3.45Å; A114-L118 PolarHBondContact O-N 2.87Å
115Y91.2Very high88.2Confident22 Ų2249.9 Ų49.99%0.08625%0.253CS..Hα-helixtrans-68-38.9177.3-176.6-93.4000112.5I82 K83 Y86 V111 S112 E113 I117 L118 S119 I169I82-Y115 HydrophobicContact CG2-CD2 3.91Å; I82-Y115 HydrophobicContact CG2-CE2 4.15Å; K83-Y115 HydrophobicContact CB-CE2 4.2Å; K83-Y115 HydrophobicContact CG-CE2 4.4Å; Y86-Y115 AromaticContact CD1-CD1 3.93Å; Y86-Y115 HydrophobicContact CD1-CD1 3.93Å; Y86-Y115 AromaticContact CD1-CD2 3.65Å; Y86-Y115 HydrophobicContact CD1-CD2 3.65Å; Y86-Y115 HydrophobicContact CD1-CE1 4.22Å; Y86-Y115 AromaticContact CD1-CE2 3.91Å; Y86-Y115 HydrophobicContact CD1-CE2 3.91Å; Y86-Y115 AromaticContact CD1-CG 3.62Å; Y86-Y115 HydrophobicContact CD1-CG 3.62Å; Y86-Y115 HydrophobicContact CD2-CD2 4.24Å; Y86-Y115 AromaticContact CD2-CG 3.88Å; Y86-Y115 HydrophobicContact CD2-CG 3.88Å; Y86-Y115 AromaticContact CE1-CD1 3.96Å; Y86-Y115 HydrophobicContact CE1-CD1 3.96Å; Y86-Y115 HydrophobicContact CE1-CD2 4.49Å; Y86-Y115 HydrophobicContact CE1-CE1 4.32Å; Y86-Y115 HydrophobicContact CE1-CG 4.04Å; Y86-Y115 HydrophobicContact CE2-CG 4.34Å; Y86-Y115 HydrophobicContact CG-CD1 4.29Å; Y86-Y115 AromaticContact CG-CD2 3.51Å; Y86-Y115 HydrophobicContact CG-CD2 3.51Å; Y86-Y115 HydrophobicContact CG-CE2 4.17Å; Y86-Y115 AromaticContact CG-CG 3.54Å; Y86-Y115 HydrophobicContact CG-CG 3.54Å; V111-Y115 PolarHBondContact O-N 3.31Å; V111-Y115 VanDerWaalsContact O-N 3.08Å; S112-Y115 PolarHBondContact O-N 3.38Å; E113-Y115 VanDerWaalsContact C-N 3.31Å; E113-Y115 PolarHBondContact O-N 3.28Å; Y115-I117 PolarHBondContact O-N 3.05Å; Y115-L118 PolarHBondContact O-N 2.92Å; Y115-S119 WeakPolarHBondContact O-CB 3.37Å; Y115-S119 PolarHBondContact O-N 2.71Å; Y115-S119 PolarHBondContact O-OG 3.36Å; Y115-I169 HydrophobicContact CD1-CD1 3.59Å; Y115-I169 HydrophobicContact CE1-CD1 3.15Å; Y115-I169 HydrophobicContact CE1-CG1 4.04Å
116E89.4Confident88.2Confident30 Ų3052.2 Ų52.214%0.1425%0.254CS..Hα-helixtrans-60.2-35.4179.4-160-161.7139.900112.3S112 E113 K123 A158 I160 L165S112-E116 PolarHBondContact O-N 3.03Å; E113-E116 PolarHBondContact O-N 2.85Å; E116-K123 IonicContact OE1-NZ 3.66Å; E116-K123 PolarHBondContact OE1-NZ 3.24Å; E116-A158 WeakPolarHBondContact OE2-CB 3.29Å; E116-I160 HydrophobicContact CG-CD1 4.46Å; E116-L165 HydrophobicContact CB-CD2 4.47Å
117I89.9Confident88.2Confident7 Ų747 Ų474%0.03623%0.231CC..Hα-helixtrans-84.6-42.4-178.7-66.4165.9000111.2Y67 E113 Y115 K123 R124 Y127 F156Y67-I117 HydrophobicContact CD2-CB 4.26Å; Y67-I117 HydrophobicContact CD2-CD1 4.1Å; Y67-I117 HydrophobicContact CD2-CG2 4.03Å; Y67-I117 HydrophobicContact CE1-CD1 4.26Å; Y67-I117 HydrophobicContact CE2-CB 4.19Å; Y67-I117 HydrophobicContact CE2-CD1 3.22Å; Y67-I117 HydrophobicContact CE2-CG1 4.28Å; Y67-I117 HydrophobicContact CE2-CG2 4.03Å; Y67-I117 WeakPolarHBondContact OH-CD1 3.43Å; E113-I117 HydrophobicContact CG-CD1 4.32Å; E113-I117 PolarHBondContact O-N 3.45Å; Y115-I117 PolarHBondContact O-N 3.05Å; I117-K123 HydrophobicContact CG2-CB 4.49Å; I117-K123 CarbonylContact O-C 3.59Å; I117-K123 VanDerWaalsContact O-CB 3.28Å; I117-K123 WeakPolarHBondContact O-CB 3.42Å; I117-R124 PolarHBondContact O-N 3.23Å; I117-R124 VanDerWaalsContact O-N 3.15Å; I117-Y127 HydrophobicContact CG2-CD2 4.4Å; I117-Y127 HydrophobicContact CG2-CG 4.11Å; I117-F156 HydrophobicContact CD1-CD1 3.86Å; I117-F156 HydrophobicContact CD1-CE1 4.24Å; I117-F156 HydrophobicContact CG1-CD1 4.16Å; I117-F156 HydrophobicContact CG1-CE1 4.23Å; I117-F156 HydrophobicContact CG2-CE1 4.4Å
118L90.3Very high88.2Confident0 Ų045.8 Ų45.80%023%0.228CC..Hα-helixtrans-81-22.1-176.1-65.3176.5000113.9Y68 L71 I73 Q79 I82 A114 Y115 R124 Y127Y68-L118 HydrophobicContact CD1-CD1 4.18Å; Y68-L118 HydrophobicContact CD1-CD2 4.5Å; Y68-L118 HydrophobicContact CE1-CD1 4.26Å; Y68-L118 HydrophobicContact CE1-CD2 3.87Å; Y68-L118 HydrophobicContact CE2-CD2 3.98Å; L71-L118 HydrophobicContact CD1-CD1 3.79Å; I73-L118 HydrophobicContact CD1-CD1 4.41Å; Q79-L118 PolarHBondContact NE2-O 3.43Å; Q79-L118 VanDerWaalsContact NE2-O 3.16Å; Q79-L118 PolarHBondContact OE1-O 3.07Å; I82-L118 HydrophobicContact CD1-CB 4.23Å; I82-L118 HydrophobicContact CG2-CB 4.03Å; A114-L118 VanDerWaalsContact O-CB 3.31Å; A114-L118 WeakPolarHBondContact O-CB 3.48Å; A114-L118 VanDerWaalsContact O-CG 3.31Å; A114-L118 WeakPolarHBondContact O-CG 3.45Å; A114-L118 PolarHBondContact O-N 2.87Å; Y115-L118 PolarHBondContact O-N 2.92Å; L118-R124 HydrophobicContact CD2-CG 4.05Å; L118-Y127 HydrophobicContact CD2-CD1 4.25Å
119S86.3Confident87.8Confident42 Ų4251.6 Ų51.629%0.29426%0.255SS..SBendtrans-76.1-26.4-178.562.50000114.4Q79 Y115Q79-S119 PolarHBondContact OE1-O 2.97Å; Y115-S119 WeakPolarHBondContact O-CB 3.37Å; Y115-S119 PolarHBondContact O-N 2.71Å; Y115-S119 PolarHBondContact O-OG 3.36Å
120D86.2Confident87.3Confident83 Ų8353.3 Ų53.344%0.44426%0.256SS..SBendtrans-95.7120.1173.9-176.4-79.5000109.3G122 K123 R124D120-G122 PolarHBondContact O-N 2.95Å; D120-G122 VanDerWaalsContact OD1-CA 3.31Å; D120-G122 WeakPolarHBondContact OD1-CA 3.48Å; D120-G122 PolarHBondContact OD1-N 3.37Å; D120-K123 HydrophobicContact CB-CB 4.09Å; D120-K123 HydrophobicContact CB-CD 4.19Å; D120-K123 HydrophobicContact CB-CG 4.08Å; D120-K123 PolarHBondContact O-N 2.98Å; D120-K123 VanDerWaalsContact O-N 3.12Å; D120-K123 PolarHBondContact OD1-N 3.44Å; D120-R124 WeakPolarHBondContact O-CB 3.16Å; D120-R124 PolarHBondContact O-N 2.93Å
121E85.9Confident86.3Confident94 Ų9453.3 Ų53.344%0.43926%0.256SS..Hα-helixtrans-59.3-32.5-176.2-165.562.3-150.400112.2Q79 Q125Q79-E121 PolarHBondContact NE2-OE2 3.21Å; E121-Q125 VanDerWaalsContact O-CG 3.24Å; E121-Q125 WeakPolarHBondContact O-CG 3.1Å; E121-Q125 PolarHBondContact O-N 3.36Å; E121-Q125 VanDerWaalsContact O-N 3.09Å
122G85.7Confident84.9Confident31 Ų3158.3 Ų58.332%0.3229%0.287SS..Hα-helixtrans-70.8-42.9176.100000112.6D120 Q126D120-G122 PolarHBondContact O-N 2.95Å; D120-G122 VanDerWaalsContact OD1-CA 3.31Å; D120-G122 WeakPolarHBondContact OD1-CA 3.48Å; D120-G122 PolarHBondContact OD1-N 3.37Å; G122-Q126 WeakPolarHBondContact O-CG 3.34Å; G122-Q126 PolarHBondContact O-N 3.17Å
123K87.1Confident83.4Confident67 Ų6762 Ų6229%0.29131%0.31SS..Hα-helixtrans-68-38.7174.8-68.9-174.5-179.6179.70112.1E116 I117 D120 Q126 Y127E116-K123 IonicContact OE1-NZ 3.66Å; E116-K123 PolarHBondContact OE1-NZ 3.24Å; I117-K123 HydrophobicContact CG2-CB 4.49Å; I117-K123 CarbonylContact O-C 3.59Å; I117-K123 VanDerWaalsContact O-CB 3.28Å; I117-K123 WeakPolarHBondContact O-CB 3.42Å; D120-K123 HydrophobicContact CB-CB 4.09Å; D120-K123 HydrophobicContact CB-CD 4.19Å; D120-K123 HydrophobicContact CB-CG 4.08Å; D120-K123 PolarHBondContact O-N 2.98Å; D120-K123 VanDerWaalsContact O-N 3.12Å; D120-K123 PolarHBondContact OD1-N 3.44Å; K123-Q126 PolarHBondContact O-N 2.91Å; K123-Y127 PolarHBondContact O-N 2.83Å
124R89.6Confident81.6Confident24 Ų2462 Ų629%0.09133%0.325CS..Hα-helixtrans-59.6-47.9175.6-178.8-178.8179.5174.33.6111.3Y68 R75 A77 I117 L118 D120 Q126 Y127 D128Y68-R124 PolarHBondContact OH-NE 2.82Å; R75-R124 PolarHBondContact O-NH2 3.19Å; A77-R124 PolarHBondContact O-NH1 2.72Å; A77-R124 PolarHBondContact O-NH2 2.77Å; I117-R124 PolarHBondContact O-N 3.23Å; I117-R124 VanDerWaalsContact O-N 3.15Å; L118-R124 HydrophobicContact CD2-CG 4.05Å; D120-R124 WeakPolarHBondContact O-CB 3.16Å; D120-R124 PolarHBondContact O-N 2.93Å; R124-Q126 VanDerWaalsContact C-N 3.31Å; R124-Q126 PolarHBondContact O-N 2.96Å; R124-Y127 WeakPolarHBondContact O-CB 3.24Å; R124-Y127 PolarHBondContact O-N 3.41Å; R124-Y127 VanDerWaalsContact O-N 3.14Å; R124-D128 IonicContact NE-OD2 3.27Å; R124-D128 VanDerWaalsContact O-CG 3.29Å; R124-D128 PolarHBondContact O-N 2.81Å
125Q85.9Confident79.6Confident116 Ų11666 Ų6654%0.54236%0.358SS..Hα-helixtrans-62-38.5177.4-73.5173.215.700112.5E121 Y127 H129E121-Q125 VanDerWaalsContact O-CG 3.24Å; E121-Q125 WeakPolarHBondContact O-CG 3.1Å; E121-Q125 PolarHBondContact O-N 3.36Å; E121-Q125 VanDerWaalsContact O-N 3.09Å; Q125-Y127 VanDerWaalsContact C-N 3.35Å; Q125-H129 VanDerWaalsContact O-CB 3.24Å; Q125-H129 WeakPolarHBondContact O-CB 3.43Å; Q125-H129 PolarHBondContact O-N 2.91Å
126Q83Confident77Confident108 Ų10868.1 Ų68.151%0.50538%0.38SS..Hα-helixtrans-64.7-39.9174.8-70.817233.700111.9G122 K123 R124 W130 F156G122-Q126 WeakPolarHBondContact O-CG 3.34Å; G122-Q126 PolarHBondContact O-N 3.17Å; K123-Q126 PolarHBondContact O-N 2.91Å; R124-Q126 VanDerWaalsContact C-N 3.31Å; R124-Q126 PolarHBondContact O-N 2.96Å; Q126-W130 VanDerWaalsContact O-CB 3.26Å; Q126-W130 WeakPolarHBondContact O-CB 3.25Å; Q126-W130 PolarHBondContact O-N 2.78Å; Q126-F156 HydrophobicContact CB-CZ 4.45Å
127Y85.9Confident74.3Confident34 Ų3470.5 Ų70.513%0.13341%0.413CS..Hα-helixtrans-65-49.3175.4178-105.5000112D66 Y67 Y68 I117 L118 K123 R124 Q125 H129 W130 E131D66-Y127 WeakPolarHBondContact CA-OH 2.95Å; D66-Y127 PolarHBondContact OD1-OH 3.38Å; Y67-Y127 HydrophobicContact CD2-CD1 4.13Å; Y67-Y127 AromaticContact CD2-CD2 3.55Å; Y67-Y127 HydrophobicContact CD2-CD2 3.55Å; Y67-Y127 AromaticContact CD2-CE1 3.8Å; Y67-Y127 HydrophobicContact CD2-CE1 3.8Å; Y67-Y127 AromaticContact CD2-CE2 3.18Å; Y67-Y127 HydrophobicContact CD2-CE2 3.18Å; Y67-Y127 AromaticContact CD2-CG 4Å; Y67-Y127 HydrophobicContact CD2-CG 4Å; Y67-Y127 AromaticContact CD2-CZ 3.31Å; Y67-Y127 AromaticContact CE2-CD2 3.53Å; Y67-Y127 HydrophobicContact CE2-CD2 3.53Å; Y67-Y127 AromaticContact CE2-CE2 3.29Å; Y67-Y127 HydrophobicContact CE2-CE2 3.29Å; Y67-Y127 HydrophobicContact CE2-CG 4.34Å; Y67-Y127 AromaticContact CE2-CZ 3.93Å; Y67-Y127 HydrophobicContact CG-CE1 4.43Å; Y67-Y127 HydrophobicContact CG-CE2 4.2Å; Y67-Y127 AromaticContact CG-CZ 3.97Å; Y67-Y127 PolarHBondContact N-OH 2.85Å; Y68-Y127 HydrophobicContact CD2-CE1 4.06Å; Y68-Y127 HydrophobicContact CE2-CD1 4.11Å; Y68-Y127 AromaticContact CE2-CE1 3.84Å; Y68-Y127 HydrophobicContact CE2-CE1 3.84Å; I117-Y127 HydrophobicContact CG2-CD2 4.4Å; I117-Y127 HydrophobicContact CG2-CG 4.11Å; L118-Y127 HydrophobicContact CD2-CD1 4.25Å; K123-Y127 PolarHBondContact O-N 2.83Å; R124-Y127 WeakPolarHBondContact O-CB 3.24Å; R124-Y127 PolarHBondContact O-N 3.41Å; R124-Y127 VanDerWaalsContact O-N 3.14Å; Q125-Y127 VanDerWaalsContact C-N 3.35Å; Y127-H129 VanDerWaalsContact C-N 3.31Å; Y127-H129 PolarHBondContact O-N 2.8Å; Y127-W130 PolarHBondContact O-N 3.41Å; Y127-E131 PolarHBondContact O-N 2.77Å
128D87Confident71.8Confident49 Ų4975 Ų7526%0.26245%0.445SS..Hα-helixtrans-62.9-37.5179.7-66.1-21.5000111.5Y68 R124 T132Y68-D128 VanDerWaalsContact CE2-OD1 3.28Å; Y68-D128 WeakPolarHBondContact CE2-OD1 3.23Å; Y68-D128 PolarHBondContact OH-OD1 3.07Å; Y68-D128 PolarHBondContact OH-OD2 2.9Å; R124-D128 IonicContact NE-OD2 3.27Å; R124-D128 VanDerWaalsContact O-CG 3.29Å; R124-D128 PolarHBondContact O-N 2.81Å; D128-T132 PolarHBondContact O-N 3.48Å; D128-T132 PolarHBondContact O-OG1 2.8Å
129H81.7Confident69.1Low129 Ų12980.3 Ų80.360%0.59749%0.489SS*.Hα-helixtrans-71.7-39.4176.1-170.462.2000112.8Q125 Y127 E131 T132 T133Q125-H129 VanDerWaalsContact O-CB 3.24Å; Q125-H129 WeakPolarHBondContact O-CB 3.43Å; Q125-H129 PolarHBondContact O-N 2.91Å; Y127-H129 VanDerWaalsContact C-N 3.31Å; Y127-H129 PolarHBondContact O-N 2.8Å; H129-E131 VanDerWaalsContact C-N 3.31Å; H129-E131 PolarHBondContact O-N 2.94Å; H129-T132 PolarHBondContact O-N 3.45Å; H129-T133 WeakPolarHBondContact O-CB 3.32Å; H129-T133 PolarHBondContact O-N 2.88Å; H129-T133 PolarHBondContact O-OG1 3.21Å
130W77Confident66.7Low154 Ų15483 Ų8358%0.58351%0.514SS*.Hα-helixtrans-63.4-38.9176.5-179.7-91.6000111.5Q126 Y127 T133 G134Q126-W130 VanDerWaalsContact O-CB 3.26Å; Q126-W130 WeakPolarHBondContact O-CB 3.25Å; Q126-W130 PolarHBondContact O-N 2.78Å; Y127-W130 PolarHBondContact O-N 3.41Å; W130-T133 PolarHBondContact O-N 2.71Å; W130-G134 VanDerWaalsContact O-CA 3.31Å; W130-G134 WeakPolarHBondContact O-CA 3.28Å; W130-G134 PolarHBondContact O-N 2.72Å
131E68.6Low64.3Low61 Ų6182.9 Ų82.929%0.28553%0.532SS..Hα-helixtrans-68.4-42.3177.2-165-173.8165.600112.1R75 Y127 H129 T133 G134 A135R75-E131 IonicContact CZ-OE1 3.37Å; R75-E131 IonicContact CZ-OE2 2.64Å; R75-E131 VanDerWaalsContact CZ-OE2 3.3Å; R75-E131 VanDerWaalsContact NH1-CD 3.29Å; R75-E131 IonicContact NH1-OE1 2.83Å; R75-E131 PolarHBondContact NH1-OE1 2.81Å; R75-E131 IonicContact NH1-OE2 2.64Å; R75-E131 PolarHBondContact NH1-OE2 3.2Å; R75-E131 VanDerWaalsContact NH2-CD 3.26Å; R75-E131 IonicContact NH2-OE1 3.87Å; R75-E131 PolarHBondContact NH2-OE1 3.4Å; R75-E131 IonicContact NH2-OE2 3.39Å; R75-E131 PolarHBondContact NH2-OE2 3.47Å; R75-E131 VanDerWaalsContact NH2-OE2 3.14Å; Y127-E131 PolarHBondContact O-N 2.77Å; H129-E131 VanDerWaalsContact C-N 3.31Å; H129-E131 PolarHBondContact O-N 2.94Å; E131-T133 VanDerWaalsContact C-N 3.25Å; E131-T133 PolarHBondContact O-N 2.95Å; E131-G134 PolarHBondContact O-N 2.87Å; E131-A135 VanDerWaalsContact O-CB 3.26Å; E131-A135 WeakPolarHBondContact O-CB 3.44Å; E131-A135 PolarHBondContact O-N 2.71Å
132T61.1Low61.9Low109 Ų10982.9 Ų82.967%0.66955%0.548SS*.Hα-helixtrans-61.9-35.6177.3-53.80000111.8D128 H129D128-T132 PolarHBondContact O-N 3.48Å; D128-T132 PolarHBondContact O-OG1 2.8Å; H129-T132 PolarHBondContact O-N 3.45Å
133T58.5Low59.5Low84 Ų8487.1 Ų87.152%0.51557%0.573SS.*Hα-helixtrans-90-26.8-178.6-44.60000112.6H129 W130 E131H129-T133 WeakPolarHBondContact O-CB 3.32Å; H129-T133 PolarHBondContact O-N 2.88Å; H129-T133 PolarHBondContact O-OG1 3.21Å; W130-T133 PolarHBondContact O-N 2.71Å; E131-T133 VanDerWaalsContact C-N 3.25Å; E131-T133 PolarHBondContact O-N 2.95Å
134G52.7Low57Low57 Ų5787.9 Ų87.959%0.58860%0.6SS**Hα-helixtrans-89.7-16.7-177.200000114.6W130 E131W130-G134 VanDerWaalsContact O-CA 3.31Å; W130-G134 WeakPolarHBondContact O-CA 3.28Å; W130-G134 PolarHBondContact O-N 2.72Å; E131-G134 PolarHBondContact O-N 2.87Å
135A48.3Very low54.2Low85 Ų8590.4 Ų90.470%0.70263%0.634SS**SBendtrans-86.3-13172.400000113.3E131E131-A135 VanDerWaalsContact O-CB 3.26Å; E131-A135 WeakPolarHBondContact O-CB 3.44Å; E131-A135 PolarHBondContact O-N 2.71Å
136A36.9Very low51.6Low66 Ų6689.3 Ų89.355%0.54565%0.653SS.*  trans-100.285.2179.200000111.3S138A136-S138 PolarHBondContact O-N 2.95Å
137G31.8Very low49.1Very low81 Ų8187.3 Ų87.384%0.83566%0.661SS**  trans-6795.7159.400000110.4
138S37.6Very low46.7Very low102 Ų10294.4 Ų94.471%0.71370%0.695SS**  trans-152.4103166.1-70.40000107.6A136A136-S138 PolarHBondContact O-N 2.95Å
139A33.8Very low44.2Very low110 Ų11098.7 Ų98.791%0.90973%0.726SS**  53.660.27600000114
140A37.1Very low42.1Very low99 Ų9996 Ų9682%0.81873%0.733SS**  trans179.8110.815100000105.9
141G35Very low40.2Very low81 Ų8192.8 Ų92.884%0.83574%0.739SS**  89.382.16000000109.1
142A35.2Very low38.6Very low93 Ų9398.3 Ų98.377%0.76977%0.765SS**  trans174.1103.7149.500000111.6
143S35.8Very low37.6Very low120 Ų12098.2 Ų98.284%0.83975%0.753SS**  trans35.9120.1136.963.60000120.7
144G33.9Very low36.6Very low83 Ų83101.8 Ų101.886%0.85676%0.764SS**  trans125115132.400000115.6
145G31.3Very low35.9Very low78 Ų78102.2 Ų102.280%0.80477%0.768SS**  trans110.996.1159.300000114.2G147G145-G147 PolarHBondContact O-N 2.87Å
146G30.5Very low35.6Very low92 Ų92101 Ų10195%0.94875%0.746SS**  trans-61.3129.5173.200000112.5
147G31.5Very low35.9Very low66 Ų66106.9 Ų106.968%0.6876%0.755SS**  trans-173.3115.2171.700000108.5G145G145-G147 PolarHBondContact O-N 2.87Å
148H36.2Very low36.6Very low183 Ų183105.3 Ų105.385%0.84773%0.734SS**  trans-45.4119.4-170.6-62.4-80.6000114.7G150H148-G150 PolarHBondContact O-N 3.16Å; H148-G150 VanDerWaalsContact O-N 3.1Å
149P34.3Very low37.4Very low139 Ų139106 Ų10690%0.90374%0.738SS**THydrogen-bonded Turntrans-84.982.5171.932.9-29000108.8
150G37.1Very low38.7Very low73 Ų73103.2 Ų103.275%0.75371%0.708SS**THydrogen-bonded Turntrans-165.4-4.5-17900000117.2H148H148-G150 PolarHBondContact O-N 3.16Å; H148-G150 VanDerWaalsContact O-N 3.1Å
151A37.4Very low40Very low86 Ų86103.3 Ų103.371%0.71169%0.694SS**SBendtrans-115.7-7.3-165.800000116.5
152Q35.1Very low41.5Very low178 Ų178100.7 Ų100.783%0.83266%0.663SS**SBendtrans-96.4-9.9-177-165.2163-23.300114.3Q154Q152-Q154 VanDerWaalsContact C-N 3.3Å; Q152-Q154 PolarHBondContact O-N 2.78Å
153W39.4Very low43.1Very low107 Ų10799.3 Ų99.341%0.40564%0.641SS.*THydrogen-bonded Turntrans-8712.2-175.1-136.382.3000114.6R64 F156R64-W153 VanDerWaalsContact NH2-CZ2 3.3Å; W153-F156 HydrophobicContact CH2-CB 4.27Å; W153-F156 HydrophobicContact CZ2-CB 4.32Å
154Q38.5Very low44.6Very low159 Ų15999.4 Ų99.474%0.74363%0.628SS**THydrogen-bonded Turntrans-89.8-8.6172.8-78.8-171.7-12.300113.5Q152Q152-Q154 VanDerWaalsContact C-N 3.3Å; Q152-Q154 PolarHBondContact O-N 2.78Å
155G38.3Very low46.3Very low65 Ų6596.3 Ų96.367%0.6759%0.591SS**THydrogen-bonded Turntrans-81.4-10.4-179.600000116.1
156F41.1Very low48.1Very low59 Ų5994.7 Ų94.726%0.25956%0.562SS.*THydrogen-bonded Turntrans-99.115.4-179.6-80.2-85.9000113.6I117 Q126 W153 A158I117-F156 HydrophobicContact CD1-CD1 3.86Å; I117-F156 HydrophobicContact CD1-CE1 4.24Å; I117-F156 HydrophobicContact CG1-CD1 4.16Å; I117-F156 HydrophobicContact CG1-CE1 4.23Å; I117-F156 HydrophobicContact CG2-CE1 4.4Å; Q126-F156 HydrophobicContact CB-CZ 4.45Å; W153-F156 HydrophobicContact CH2-CB 4.27Å; W153-F156 HydrophobicContact CZ2-CB 4.32Å; F156-A158 PolarHBondContact O-N 2.82Å
157R43Very low50Low191 Ų19199 Ų9972%0.72155%0.55SS*.SBendtrans-85.6107.9169.3-60.6-160-178.1-154.91.9107.5S159R157-S159 PolarHBondContact O-N 2.92Å
158A47.6Very low51.8Low48 Ų48104.7 Ų104.740%0.39755%0.551SS.*  trans-52.592168.200000108.6E116 F156E116-A158 WeakPolarHBondContact OE2-CB 3.29Å; F156-A158 PolarHBondContact O-N 2.82Å
159S54.3Low53.2Low115 Ų11597.2 Ų97.280%0.80452%0.517SS*.  trans-86.74.7176.8102.80000111.1R157R157-S159 PolarHBondContact O-N 2.92Å
160I59.2Low54.5Low52 Ų5291.8 Ų91.827%0.26748%0.479SS..SBendtrans-95123.1-178.3-54.1174.6000107E116 P162 E164 L165E116-I160 HydrophobicContact CG-CD1 4.46Å; I160-P162 WeakPolarHBondContact O-CD 3.28Å; I160-E164 HydrophobicContact CG2-CB 4.46Å; I160-L165 HydrophobicContact CG2-CB 3.87Å; I160-L165 HydrophobicContact CG2-CD1 4.45Å
161D65.7Low55.5Low101 Ų10191 Ų9154%0.5447%0.471SS..  trans-58123.8174-152.6-12.5000108.1E163 E164 L165D161-E163 PolarHBondContact O-N 3.3Å; D161-E164 HydrophobicContact CB-CB 4.12Å; D161-E164 WeakPolarHBondContact O-CA 3.45Å; D161-E164 WeakPolarHBondContact O-CB 3.42Å; D161-E164 PolarHBondContact O-N 2.78Å; D161-L165 PolarHBondContact O-N 3.07Å
162P66.5Low56.3Low27 Ų2792.2 Ų92.218%0.17547%0.466CS..Hα-helixtrans-51.6-34.3-176.7-31.837.9000113.5F108 Q109 I160 L165 F166F108-P162 HydrophobicContact CD1-CB 3.62Å; F108-P162 HydrophobicContact CE1-CB 3.4Å; F108-P162 VanDerWaalsContact CE1-CB 3.4Å; F108-P162 HydrophobicContact CZ-CB 4.45Å; Q109-P162 HydrophobicContact CG-CG 4.43Å; I160-P162 WeakPolarHBondContact O-CD 3.28Å; P162-L165 PolarHBondContact O-N 3.48Å; P162-F166 WeakPolarHBondContact O-CB 3.48Å; P162-F166 PolarHBondContact O-N 2.82Å
163E68.6Low56.6Low64 Ų6487.1 Ų87.130%0.29944%0.443SS..Hα-helixtrans-61.3-41.6172.2-112.277.5-13600112.9P95 D161 R167P95-E163 WeakPolarHBondContact CD-OE1 3.28Å; P95-E163 WeakPolarHBondContact CG-OE1 3.37Å; D161-E163 PolarHBondContact O-N 3.3Å; E163-R167 WeakPolarHBondContact O-CB 3.28Å; E163-R167 VanDerWaalsContact O-CG 3.23Å; E163-R167 WeakPolarHBondContact O-CG 3.46Å; E163-R167 PolarHBondContact O-N 3.05Å
164E68Low56.7Low122 Ų12289.9 Ų89.957%0.5747%0.466SS*.Hα-helixtrans-71.8-39.9179.1-169.5-179.1175.600111I160 D161 F166 R167 R168I160-E164 HydrophobicContact CG2-CB 4.46Å; D161-E164 HydrophobicContact CB-CB 4.12Å; D161-E164 WeakPolarHBondContact O-CA 3.45Å; D161-E164 WeakPolarHBondContact O-CB 3.42Å; D161-E164 PolarHBondContact O-N 2.78Å; E164-F166 PolarHBondContact O-N 2.89Å; E164-R167 PolarHBondContact O-N 3.4Å; E164-R168 VanDerWaalsContact O-CB 3.26Å; E164-R168 WeakPolarHBondContact O-CB 3.23Å; E164-R168 PolarHBondContact O-N 2.78Å
165L69Low56.7Low17 Ų1791 Ų919%0.08947%0.474CS..Hα-helixtrans-59.6-48173.8-17465.5000110.5E116 I160 D161 P162 R167 R168 I169E116-L165 HydrophobicContact CB-CD2 4.47Å; I160-L165 HydrophobicContact CG2-CB 3.87Å; I160-L165 HydrophobicContact CG2-CD1 4.45Å; D161-L165 PolarHBondContact O-N 3.07Å; P162-L165 PolarHBondContact O-N 3.48Å; L165-R167 PolarHBondContact O-N 3.29Å; L165-R168 PolarHBondContact O-N 3.25Å; L165-I169 HydrophobicContact CD1-CD1 3.7Å; L165-I169 HydrophobicContact CD1-CG1 4.39Å; L165-I169 HydrophobicContact CD2-CD1 4.44Å; L165-I169 HydrophobicContact CG-CD1 3.63Å; L165-I169 VanDerWaalsContact O-CD1 3.27Å; L165-I169 WeakPolarHBondContact O-CD1 3.49Å; L165-I169 VanDerWaalsContact O-CG1 3.25Å; L165-I169 WeakPolarHBondContact O-CG1 3.21Å; L165-I169 PolarHBondContact O-N 3.07Å
166F69Low56.6Low45 Ų4591 Ų9120%0.19747%0.473CS..Hα-helixtrans-60.3-45.9176.4-175.8-93.7000111.9A90 F108 P162 E164 I169 F170A90-F166 HydrophobicContact CB-CD2 3.84Å; A90-F166 HydrophobicContact CB-CE2 3.81Å; F108-F166 HydrophobicContact CZ-CB 4.25Å; P162-F166 WeakPolarHBondContact O-CB 3.48Å; P162-F166 PolarHBondContact O-N 2.82Å; E164-F166 PolarHBondContact O-N 2.89Å; F166-I169 PolarHBondContact O-N 3.35Å; F166-F170 AromaticContact CD2-CD2 3.41Å; F166-F170 HydrophobicContact CD2-CD2 3.41Å; F166-F170 VanDerWaalsContact CD2-CD2 3.41Å; F166-F170 AromaticContact CD2-CE2 3.8Å; F166-F170 HydrophobicContact CD2-CE2 3.8Å; F166-F170 HydrophobicContact CD2-CG 4.48Å; F166-F170 HydrophobicContact CE1-CB 4.46Å; F166-F170 HydrophobicContact CE2-CB 4.5Å; F166-F170 AromaticContact CE2-CD2 3.4Å; F166-F170 HydrophobicContact CE2-CD2 3.4Å; F166-F170 AromaticContact CE2-CE2 3.79Å; F166-F170 HydrophobicContact CE2-CE2 3.79Å; F166-F170 HydrophobicContact CE2-CG 4.18Å; F166-F170 HydrophobicContact CG-CD2 4.05Å; F166-F170 HydrophobicContact CZ-CB 4.31Å; F166-F170 HydrophobicContact CZ-CD2 4.04Å; F166-F170 HydrophobicContact CZ-CG 4.43Å; F166-F170 WeakPolarHBondContact O-CB 3.36Å; F166-F170 PolarHBondContact O-N 2.74Å
167R70Confident56.5Low182 Ų18297.8 Ų97.869%0.68750%0.503SS*.Hα-helixtrans-63.6-40.1177.2-75.3173.5-178.8-167.72.1112.7E163 E164 L165 G171E163-R167 WeakPolarHBondContact O-CB 3.28Å; E163-R167 VanDerWaalsContact O-CG 3.23Å; E163-R167 WeakPolarHBondContact O-CG 3.46Å; E163-R167 PolarHBondContact O-N 3.05Å; E164-R167 PolarHBondContact O-N 3.4Å; L165-R167 PolarHBondContact O-N 3.29Å; R167-G171 WeakPolarHBondContact O-CA 3.26Å; R167-G171 PolarHBondContact O-N 2.84Å
168R69.2Low56.2Low185 Ų18594.5 Ų94.570%0.69851%0.509SS*.Hα-helixtrans-67.6-38.1178.7-175.8175.9178.1176.9-1112.3E164 L165E164-R168 VanDerWaalsContact O-CB 3.26Å; E164-R168 WeakPolarHBondContact O-CB 3.23Å; E164-R168 PolarHBondContact O-N 2.78Å; L165-R168 PolarHBondContact O-N 3.25Å
169I65Low55.4Low27 Ų2795.7 Ų95.714%0.13853%0.526CS..Hα-helixtrans-81.4-42.5-178.3-63.3157.2000111.5Y86 Y115 L165 F166 L173Y86-I169 HydrophobicContact CE1-CD1 3.73Å; Y115-I169 HydrophobicContact CD1-CD1 3.59Å; Y115-I169 HydrophobicContact CE1-CD1 3.15Å; Y115-I169 HydrophobicContact CE1-CG1 4.04Å; L165-I169 HydrophobicContact CD1-CD1 3.7Å; L165-I169 HydrophobicContact CD1-CG1 4.39Å; L165-I169 HydrophobicContact CD2-CD1 4.44Å; L165-I169 HydrophobicContact CG-CD1 3.63Å; L165-I169 VanDerWaalsContact O-CD1 3.27Å; L165-I169 WeakPolarHBondContact O-CD1 3.49Å; L165-I169 VanDerWaalsContact O-CG1 3.25Å; L165-I169 WeakPolarHBondContact O-CG1 3.21Å; L165-I169 PolarHBondContact O-N 3.07Å; F166-I169 PolarHBondContact O-N 3.35Å; I169-L173 WeakPolarHBondContact O-CD1 3.48Å
170F63.2Low54.4Low24 Ų2496.2 Ų96.211%0.10553%0.53CS..Hα-helixtrans-109-13.7-169.8-62.3-70.2000114.7Y86 Y87 F166 D172 L173Y86-F170 AromaticContact CD1-CE2 3.47Å; Y86-F170 HydrophobicContact CD1-CE2 3.47Å; Y86-F170 VanDerWaalsContact CD1-CE2 3.47Å; Y86-F170 AromaticContact CD1-CZ 3.62Å; Y86-F170 HydrophobicContact CD1-CZ 3.62Å; Y86-F170 HydrophobicContact CE1-CD2 4.19Å; Y86-F170 AromaticContact CE1-CE2 3.24Å; Y86-F170 HydrophobicContact CE1-CE2 3.24Å; Y86-F170 AromaticContact CE1-CZ 3.89Å; Y86-F170 HydrophobicContact CE1-CZ 3.89Å; Y87-F170 AromaticContact CD2-CD1 3.8Å; Y87-F170 HydrophobicContact CD2-CD1 3.8Å; Y87-F170 AromaticContact CD2-CE1 3.45Å; Y87-F170 HydrophobicContact CD2-CE1 3.45Å; Y87-F170 VanDerWaalsContact CD2-CE1 3.45Å; Y87-F170 HydrophobicContact CD2-CE2 4.27Å; Y87-F170 HydrophobicContact CD2-CG 4.42Å; Y87-F170 AromaticContact CD2-CZ 3.71Å; Y87-F170 HydrophobicContact CD2-CZ 3.71Å; Y87-F170 HydrophobicContact CE2-CD1 4.27Å; Y87-F170 HydrophobicContact CE2-CE1 4.33Å; Y87-F170 HydrophobicContact CG-CE1 4.15Å; Y87-F170 HydrophobicContact CG-CZ 4.25Å; F166-F170 AromaticContact CD2-CD2 3.41Å; F166-F170 HydrophobicContact CD2-CD2 3.41Å; F166-F170 VanDerWaalsContact CD2-CD2 3.41Å; F166-F170 AromaticContact CD2-CE2 3.8Å; F166-F170 HydrophobicContact CD2-CE2 3.8Å; F166-F170 HydrophobicContact CD2-CG 4.48Å; F166-F170 HydrophobicContact CE1-CB 4.46Å; F166-F170 HydrophobicContact CE2-CB 4.5Å; F166-F170 AromaticContact CE2-CD2 3.4Å; F166-F170 HydrophobicContact CE2-CD2 3.4Å; F166-F170 AromaticContact CE2-CE2 3.79Å; F166-F170 HydrophobicContact CE2-CE2 3.79Å; F166-F170 HydrophobicContact CE2-CG 4.18Å; F166-F170 HydrophobicContact CG-CD2 4.05Å; F166-F170 HydrophobicContact CZ-CB 4.31Å; F166-F170 HydrophobicContact CZ-CD2 4.04Å; F166-F170 HydrophobicContact CZ-CG 4.43Å; F166-F170 WeakPolarHBondContact O-CB 3.36Å; F166-F170 PolarHBondContact O-N 2.74Å; F170-D172 PolarHBondContact O-N 2.75Å; F170-L173 HydrophobicContact CD1-CB 4.33Å; F170-L173 HydrophobicContact CD1-CD1 3.66Å; F170-L173 HydrophobicContact CE1-CD1 4.02Å; F170-L173 CarbonylContact O-C 3.47Å; F170-L173 PolarHBondContact O-N 3.42Å
171G56.5Low52.9Low56 Ų5696.9 Ų96.958%0.57755%0.549SS*.THydrogen-bonded Turntrans-59.9-29.9165.200000111.9R167R167-G171 WeakPolarHBondContact O-CA 3.26Å; R167-G171 PolarHBondContact O-N 2.84Å
172D54.5Low51.1Low113 Ų113101.6 Ų101.660%0.60457%0.565SS**THydrogen-bonded Turntrans-83.3-5.4173.1-77.4-16.6000113.9F170F170-D172 PolarHBondContact O-N 2.75Å
173L42.6Very low49.3Very low70 Ų70105.6 Ų105.637%0.36659%0.594SS.*  trans-118.761.2-176.8-66.5162.9000111.2I169 F170 M175I169-L173 WeakPolarHBondContact O-CD1 3.48Å; F170-L173 HydrophobicContact CD1-CB 4.33Å; F170-L173 HydrophobicContact CD1-CD1 3.66Å; F170-L173 HydrophobicContact CE1-CD1 4.02Å; F170-L173 CarbonylContact O-C 3.47Å; F170-L173 PolarHBondContact O-N 3.42Å; L173-M175 PolarHBondContact O-N 3.48Å
174N41.6Very low47.3Very low166 Ų166105.5 Ų105.589%0.88861%0.61SS**  trans-73.766.1165.1-158.733.3000110.2
175M38.7Very low45.4Very low182 Ų182110.6 Ų110.690%0.89762%0.624SS**  trans-99.489.2-176.1-144.7-119.6155.700109.2L173L173-M175 PolarHBondContact O-N 3.48Å
176G36Very low43.5Very low64 Ų64117.1 Ų117.166%0.6666%0.659SS**  trans-157.852.7-174.600000114.7
177K37.5Very low41.5Very low203 Ų203123 Ų12388%0.88369%0.685SS**SBendtrans161.1121142.2-95.3166.3168.7174.50111.6
178S36.3Very low39.9Very low121 Ų121119.5 Ų119.585%0.84668%0.68SS**  trans49.7118.815572.80000120.5
179G32.5Very low38.4Very low73 Ų73114.5 Ų114.575%0.75367%0.667SS**  103.1103.6126.400000117.3
180S32.9Very low37.1Very low126 Ų126122.1 Ų122.188%0.88170%0.7SS**  trans62.6102.7138.6-164.10000119.8
181G27.6Very low36.1Very low66 Ų66124 Ų12468%0.6872%0.72SS**  trans75.1153.1136.600000119
182F28.4Very low35.3Very low200 Ų200128.3 Ų128.388%0.87773%0.725SS**  trans79.2101.5161.9-77.6-93.4000119.8
183S28.2Very low34.7Very low112 Ų112125.9 Ų125.978%0.78372%0.717SS**  39.3107.6121.9-166.20000118.7
184G26.8Very low34.5Very low62 Ų62130.8 Ų130.864%0.63974%0.738SS**  trans92.485.6136.100000117.2
185W28.5Very low34.7Very low228 Ų228129.1 Ų129.186%0.86472%0.723SS**  trans-139.4118.5162.2-65.989.4000112.1F187W185-F187 PolarHBondContact O-N 3.28Å
186N28.1Very low34.3Very low154 Ų154124.5 Ų124.582%0.82472%0.722SS**  trans-57.8118.8171.9-81.1-81.9000111N188N186-N188 PolarHBondContact O-N 2.59Å
187F28.1Very low34.3Very low168 Ų168127.2 Ų127.274%0.73772%0.716SS**  trans-87.299.7162.4-72.3-91.3000108.2W185W185-F187 PolarHBondContact O-N 3.28Å
188N35.6Very low34.1Very low109 Ų109123.4 Ų123.458%0.58371%0.705SS**  trans-145.9121.5166.6-97.7-25000110.6N186 K310N186-N188 PolarHBondContact O-N 2.59Å; N188-K310 PolarHBondContact O-NZ 3.35Å
189D36.9Very low34.1Very low80 Ų80122.1 Ų122.143%0.42870%0.696SS.*  trans84.894.1168.4-61.1-41.5000118.7V218 K310D189-V218 WeakPolarHBondContact OD2-CB 3.45Å; D189-V218 WeakPolarHBondContact OD2-CG2 3.5Å; D189-K310 IonicContact OD2-NZ 3.41Å; D189-K310 PolarHBondContact OD2-NZ 2.66Å
190F37.9Very low34.3Very low187 Ų187122.6 Ų122.682%0.8269%0.693SS**  trans-104.791.4143.9-157.7-97.6000107.5E192F190-E192 HydrophobicContact CD1-CB 4.32Å; F190-E192 HydrophobicContact CE1-CB 4.02Å
191A43.4Very low35.1Very low63 Ų63119 Ų11952%0.52166%0.662SS.*  trans-97.894.6166.200000107.4S193A191-S193 PolarHBondContact O-N 3.22Å
192E38.4Very low36.3Very low147 Ų147118.3 Ų118.369%0.68764%0.641SS**  trans-66.795.5170.6-173.1159.3-17700108.9F190 Q194F190-E192 HydrophobicContact CD1-CB 4.32Å; F190-E192 HydrophobicContact CE1-CB 4.02Å; E192-Q194 PolarHBondContact O-N 3.49Å
193S42.6Very low37.7Very low63 Ų63113.6 Ų113.644%0.44163%0.625SS.*  trans-82.394.1170.660.80000109A191 F195A191-S193 PolarHBondContact O-N 3.22Å; S193-F195 VanDerWaalsContact CB-CE2 3.46Å; S193-F195 PolarHBondContact O-N 3.35Å; S193-F195 WeakPolarHBondContact OG-CE2 3.27Å
194Q38.3Very low39.1Very low173 Ų173113.2 Ų113.281%0.80861%0.609SS**  trans-64.997.6163.5-109.5-176.711.400108.8E192E192-Q194 PolarHBondContact O-N 3.49Å
195F45.7Very low40.6Very low130 Ų130111.8 Ų111.857%0.5759%0.591SS**  trans-89.6109.7167.5-76.3-76.2000109.3S193 F197 S214S193-F195 VanDerWaalsContact CB-CE2 3.46Å; S193-F195 PolarHBondContact O-N 3.35Å; S193-F195 WeakPolarHBondContact OG-CE2 3.27Å; F195-F197 PolarHBondContact O-N 3.49Å; F195-S214 WeakPolarHBondContact CE2-O 3.49Å; F195-S214 VanDerWaalsContact CZ-O 3.25Å; F195-S214 WeakPolarHBondContact CZ-O 3.37Å
196G30.4Very low42.2Very low85 Ų85101.2 Ų101.288%0.87655%0.552SS**PPolyproline II helixtrans-65.2120.8170.800000110.2
197F37Very low44.3Very low122 Ų12299.8 Ų99.854%0.53554%0.539SS..PPolyproline II helixtrans-98126.2-175.2-137.7-102.2000110.5F195 Q201F195-F197 PolarHBondContact O-N 3.49Å; F197-Q201 HydrophobicContact CE1-CB 3.9Å; F197-Q201 HydrophobicContact CE1-CG 4.32Å
198D32.7Very low46.6Very low122 Ų12293 Ų9365%0.65252%0.516SS*.PPolyproline II helixtrans-64.6134.7174.8-17011.4000110.6A200D198-A200 PolarHBondContact O-N 3.43Å
199S36.5Very low48.8Very low95 Ų9590.1 Ų90.166%0.66450%0.502SS*.SBendtrans-66.38.1-166.756.60000116.4
200A36.6Very low51.1Low82 Ų8290.7 Ų90.768%0.67851%0.509SS*.SBendtrans-103.218.9-16900000115.7D198D198-A200 PolarHBondContact O-N 3.43Å
201Q49.8Very low53.3Low50 Ų5084.8 Ų84.823%0.23448%0.481CS..  trans-126.717.1-164.9-73.9-168.47.500118.6F197 L203 K204F197-Q201 HydrophobicContact CE1-CB 3.9Å; F197-Q201 HydrophobicContact CE1-CG 4.32Å; Q201-L203 VanDerWaalsContact C-N 3.35Å; Q201-L203 PolarHBondContact O-N 3.35Å; Q201-K204 HydrophobicContact CG-CD 4.23Å; Q201-K204 PolarHBondContact O-N 3.4Å; Q201-K204 VanDerWaalsContact O-N 3.1Å
202E51.6Low55.4Low53 Ų5387.4 Ų87.425%0.24849%0.487CS..Hα-helixtrans-63.9-37.3-178.2-70.8148.5-174.200113.7K204 A205 S321E202-K204 PolarHBondContact O-N 3.39Å; E202-A205 PolarHBondContact O-N 3.1Å; E202-S321 WeakPolarHBondContact OE1-CA 3.25Å; E202-S321 PolarHBondContact OE1-N 3.13Å; E202-S321 WeakPolarHBondContact OE2-CA 3.42Å; E202-S321 WeakPolarHBondContact OE2-CB 3.48Å; E202-S321 PolarHBondContact OE2-OG 2.83Å
203L57.9Low57.7Low100 Ų10082.5 Ų82.552%0.52447%0.465SS..Hα-helixtrans-65.5-23.1177.1-74.9160.2000112.9Q201 F324Q201-L203 VanDerWaalsContact C-N 3.35Å; Q201-L203 PolarHBondContact O-N 3.35Å; L203-F324 HydrophobicContact CD2-CE2 4.35Å
204K58.1Low59.8Low105 Ų10581.5 Ų81.546%0.45746%0.458SS..Hα-helixtrans-80.9-32.2-178-70.7-173.6-176.8-179.60111.7Q201 E202 A206 K207 G208 V209Q201-K204 HydrophobicContact CG-CD 4.23Å; Q201-K204 PolarHBondContact O-N 3.4Å; Q201-K204 VanDerWaalsContact O-N 3.1Å; E202-K204 PolarHBondContact O-N 3.39Å; K204-A206 VanDerWaalsContact C-N 3.29Å; K204-A206 PolarHBondContact O-N 2.82Å; K204-K207 PolarHBondContact O-N 3.33Å; K204-G208 PolarHBondContact O-N 2.82Å; K204-V209 HydrophobicContact CB-CG2 3.86Å; K204-V209 HydrophobicContact CG-CG2 4.36Å; K204-V209 WeakPolarHBondContact O-CG2 3.26Å
205A59Low62.1Low32 Ų3274.1 Ų74.126%0.26442%0.424SS..Hα-helixtrans-64.3-36.317600000112E202 G208E202-A205 PolarHBondContact O-N 3.1Å; A205-G208 PolarHBondContact O-N 3.47Å
206A62Low64.2Low6 Ų671.3 Ų71.35%0.0542%0.415CS..Hα-helixtrans-67.5-37.4-179.200000114.2K204 G208 V353 L378K204-A206 VanDerWaalsContact C-N 3.29Å; K204-A206 PolarHBondContact O-N 2.82Å; A206-G208 VanDerWaalsContact C-N 3.35Å; A206-V353 HydrophobicContact CB-CG1 3.21Å; A206-L378 HydrophobicContact CB-CD2 3.44Å; A206-L378 VanDerWaalsContact CB-CD2 3.44Å
207K71.7Confident66.9Low124 Ų12467.6 Ų67.654%0.53938%0.375SS..Hα-helixtrans-81.7-16-177.7-66.1-176.3177.5-173.20113K204 H354K204-K207 PolarHBondContact O-N 3.33Å; K207-H354 VanDerWaalsContact CE-O 3.24Å; K207-H354 WeakPolarHBondContact CE-O 2.89Å; K207-H354 PolarHBondContact NZ-O 3.05Å
208G76Confident69.3Low26 Ų2663 Ų6327%0.26836%0.357SS..  trans76.3130.4-166.700000110.2K204 A205 A206 V293K204-G208 PolarHBondContact O-N 2.82Å; A205-G208 PolarHBondContact O-N 3.47Å; A206-G208 VanDerWaalsContact C-N 3.35Å; G208-V293 VanDerWaalsContact CA-O 3.28Å; G208-V293 WeakPolarHBondContact CA-O 3.44Å
209V82.3Confident71.9Confident47 Ų4758.7 Ų58.729%0.28533%0.334SS..EExtended strand (participates in β ladder)trans-143139.8-178.6169.40000109K204 R211 V293K204-V209 HydrophobicContact CB-CG2 3.86Å; K204-V209 HydrophobicContact CG-CG2 4.36Å; K204-V209 WeakPolarHBondContact O-CG2 3.26Å; V209-R211 HydrophobicContact CG1-CG 4.19Å; V209-V293 PolarHBondContact N-O 3.5Å; V209-V293 WeakPolarHBondContact O-CB 3.12Å; V209-V293 VanDerWaalsContact O-CG2 3.29Å; V209-V293 WeakPolarHBondContact O-CG2 3.44Å; V209-V293 PolarHBondContact O-N 3.13Å
210T85.4Confident74.5Confident93 Ų9356.2 Ų56.257%0.57132%0.315SS*.EExtended strand (participates in β ladder)trans-79122.1167.7-53.50000109.3A290T210-A290 HydrophobicContact CG2-CB 4Å
211R84.5Confident77.1Confident63 Ų6352.3 Ų52.324%0.23828%0.283CS..EExtended strand (participates in β ladder)trans-114.2129.1-178.9-71.9-68176.9179.4-3.4111V209 V291 V293V209-R211 HydrophobicContact CG1-CG 4.19Å; R211-V291 PolarHBondContact N-O 3.44Å; R211-V291 PolarHBondContact O-N 3.04Å; R211-V293 HydrophobicContact CB-CG2 4.39Å; R211-V293 HydrophobicContact CG-CG2 4.13Å
212N87.1Confident79Confident118 Ų11853.4 Ų53.463%0.63129%0.294SS*.EExtended strand (participates in β ladder)trans-82.6120.1171.4-65.9-19.4000108.8T288 V289 A290N212-T288 HydrophobicContact CB-CG2 3.85Å; N212-V289 WeakPolarHBondContact CA-O 3.5Å; N212-A290 WeakPolarHBondContact OD1-CA 3.36Å; N212-A290 WeakPolarHBondContact OD1-CB 3.42Å
213I85.9Confident80.9Confident44 Ų4454.7 Ų54.723%0.22630%0.299CS..EExtended strand (participates in β ladder)trans-114.9142.3174.761.6169.4000109.5V215 T288 V289 V291 V314I213-V215 HydrophobicContact CD1-CG2 3.7Å; I213-V215 HydrophobicContact CG1-CG2 3.94Å; I213-T288 CarbonylContact O-C 3.37Å; I213-T288 WeakPolarHBondContact O-CA 3.46Å; I213-V289 HydrophobicContact CG1-CB 4.35Å; I213-V289 PolarHBondContact N-O 2.77Å; I213-V289 PolarHBondContact O-N 2.81Å; I213-V291 HydrophobicContact CD1-CG2 3.51Å; I213-V291 HydrophobicContact CG1-CG2 3.66Å; I213-V314 HydrophobicContact CD1-CG1 4.36Å; I213-V314 HydrophobicContact CD1-CG2 3.8Å
214S87.4Confident82.5Confident42 Ų4250.2 Ų50.229%0.29428%0.276SS..EExtended strand (participates in β ladder)trans-98.2109.6176.4-63.30000109F195 K287F195-S214 WeakPolarHBondContact CE2-O 3.49Å; F195-S214 VanDerWaalsContact CZ-O 3.25Å; F195-S214 WeakPolarHBondContact CZ-O 3.37Å; S214-K287 WeakPolarHBondContact CA-O 3.36Å
215V87.1Confident84Confident17 Ų1749.2 Ų49.210%0.10328%0.282CS..EExtended strand (participates in β ladder)trans-109.3136.7-179.3-172.30000109.2I213 V217 K287 V312I213-V215 HydrophobicContact CD1-CG2 3.7Å; I213-V215 HydrophobicContact CG1-CG2 3.94Å; V215-V217 HydrophobicContact CB-CG2 4.19Å; V215-V217 HydrophobicContact CG1-CG2 3.76Å; V215-K287 PolarHBondContact N-O 2.92Å; V215-K287 PolarHBondContact O-N 2.85Å; V215-V312 HydrophobicContact CG1-CG1 4.19Å; V215-V312 HydrophobicContact CG1-CG2 4.27Å
216N88.9Confident85.4Confident72 Ų7249.1 Ų49.139%0.38529%0.285SS..EExtended strand (participates in β ladder)trans-85.4117.1170.6-63.3-26.5000108.1V284N216-V284 HydrophobicContact CB-CG1 3.86Å
217V86.9Confident86.7Confident6 Ų656.1 Ų56.14%0.03631%0.314CS..EExtended strand (participates in β ladder)trans-127.7130.4-177.9-175.60000108.1V215 D219 Q285 V307 K310 V312V215-V217 HydrophobicContact CB-CG2 4.19Å; V215-V217 HydrophobicContact CG1-CG2 3.76Å; V217-D219 PolarHBondContact O-N 2.89Å; V217-Q285 PolarHBondContact N-O 3.17Å; V217-Q285 PolarHBondContact O-N 3.5Å; V217-V307 HydrophobicContact CG2-CB 4.25Å; V217-V307 HydrophobicContact CG2-CG1 3.8Å; V217-K310 HydrophobicContact CG1-CB 3.94Å; V217-K310 HydrophobicContact CG1-CD 3.85Å; V217-K310 HydrophobicContact CG1-CG 4.04Å; V217-V312 HydrophobicContact CG2-CG2 4.44Å
218V88.6Confident87.5Confident25 Ų2554.8 Ų54.815%0.15231%0.308CS..EExtended strand (participates in β ladder)trans-68.5116.4167.9169.20000108.8D189 N282 V284 K310D189-V218 WeakPolarHBondContact OD2-CB 3.45Å; D189-V218 WeakPolarHBondContact OD2-CG2 3.5Å; V218-N282 HydrophobicContact CG1-CB 3.54Å; V218-V284 HydrophobicContact CG2-CG2 3.69Å; V218-K310 WeakPolarHBondContact O-CE 3.42Å
219D87.4Confident88.3Confident32 Ų3253.8 Ų53.817%0.17130%0.297CS..EExtended strand (participates in β ladder)trans-128.5173.4175.4-161.75.6000110.1V217 C221 N282 T283 K287V217-D219 PolarHBondContact O-N 2.89Å; D219-C221 PolarHBondContact O-N 3.02Å; D219-N282 CarbonylContact O-C 3.59Å; D219-N282 WeakPolarHBondContact O-CA 3.49Å; D219-N282 WeakPolarHBondContact O-CB 3.26Å; D219-T283 PolarHBondContact N-O 3.35Å; D219-T283 PolarHBondContact O-N 3.37Å; D219-K287 WeakPolarHBondContact OD2-CE 3.46Å; D219-K287 IonicContact OD2-NZ 3.14Å; D219-K287 PolarHBondContact OD2-NZ 3.45Å
220T90.5Very high88.7Confident44 Ų4453.1 Ų53.127%0.2729%0.29SS..EExtended strand (participates in β ladder)trans-53.8126.9175.9-48.30000109.7G226 Q285T220-G226 VanDerWaalsContact CG2-N 3.3Å; T220-Q285 PolarHBondContact O-NE2 2.74Å
221C90.8Very high88.9Confident0 Ų052.1 Ų52.10%029%0.286CS..  trans-54128.1179.7170.60000110.2D219 K223 C224 S225 C277 G281 T283D219-C221 PolarHBondContact O-N 3.02Å; C221-K223 PolarHBondContact O-N 3.5Å; C221-C224 VanDerWaalsContact CB-SG 3.54Å; C221-S225 WeakPolarHBondContact O-CA 3.44Å; C221-S225 PolarHBondContact O-N 3.12Å; C221-C277 HydrophobicContact CB-CB 3.8Å; C221-G281 WeakPolarHBondContact CB-O 3.43Å; C221-G281 PolarHBondContact N-O 3.26Å; C221-T283 HydrophobicContact CB-CG2 3.91Å
222P90.4Very high89Confident73 Ų7353.1 Ų53.147%0.47432%0.315SS..THydrogen-bonded Turntrans-70.5-35.8-172.428.2-28.7000110.9E276 T283 Q285P222-E276 WeakPolarHBondContact CD-OE1 3.11Å; P222-E276 WeakPolarHBondContact CG-OE1 3.42Å; P222-E276 WeakPolarHBondContact CG-OE2 3.07Å; P222-T283 WeakPolarHBondContact CD-OG1 3.47Å; P222-Q285 VanDerWaalsContact CD-NE2 3.33Å
223K91.6Very high89.1Confident80 Ų8054 Ų5435%0.34831%0.311SS..THydrogen-bonded Turntrans-68.5-50.6179.3-174.9176.6-172.7-1680114.1C221 E230 P231 E276C221-K223 PolarHBondContact O-N 3.5Å; K223-E230 WeakPolarHBondContact CE-OE1 3.05Å; K223-E230 WeakPolarHBondContact CE-OE2 3.24Å; K223-E230 VanDerWaalsContact NZ-CD 3.33Å; K223-E230 IonicContact NZ-OE1 3.21Å; K223-E230 PolarHBondContact NZ-OE1 3.44Å; K223-E230 IonicContact NZ-OE2 2.6Å; K223-E230 PolarHBondContact NZ-OE2 3.05Å; K223-P231 HydrophobicContact CG-CG 3.81Å; K223-P231 WeakPolarHBondContact O-CG 3.43Å; K223-E276 HydrophobicContact CB-CB 4.34Å; K223-E276 WeakPolarHBondContact CB-OE2 3.5Å; K223-E276 HydrophobicContact CD-CB 4.16Å; K223-E276 PolarHBondContact N-OE2 3.07Å
224C91Very high89.1Confident5 Ų560.6 Ų60.63%0.03434%0.338CS..THydrogen-bonded Turntrans-92.9-8-179.571.60000114.5C221 G226 K227 T229 C274C221-C224 VanDerWaalsContact CB-SG 3.54Å; C224-G226 PolarHBondContact O-N 3.48Å; C224-K227 HydrophobicContact CB-CB 4.47Å; C224-K227 VanDerWaalsContact O-CB 3.25Å; C224-K227 WeakPolarHBondContact O-CB 3.14Å; C224-K227 VanDerWaalsContact O-CG 3.28Å; C224-K227 WeakPolarHBondContact O-CG 3.31Å; C224-K227 PolarHBondContact O-N 2.8Å; C224-T229 WeakPolarHBondContact CB-O 3.42Å; C224-C274 HydrophobicContact CB-CB 3.83Å
225S89.8Confident89.1Confident85 Ų8561.7 Ų61.759%0.59434%0.339SS*.THydrogen-bonded Turntrans50.538.6-174-46.30000112.9C221 K227C221-S225 WeakPolarHBondContact O-CA 3.44Å; C221-S225 PolarHBondContact O-N 3.12Å; S225-K227 PolarHBondContact O-N 3Å
226G88.1Confident89.2Confident30 Ų3063.7 Ų63.731%0.30935%0.352SS..THydrogen-bonded Turntrans83.41.1179.600000115.7T220 C224 K228 G281T220-G226 VanDerWaalsContact CG2-N 3.3Å; C224-G226 PolarHBondContact O-N 3.48Å; G226-K228 PolarHBondContact O-N 3.31Å; G226-G281 WeakPolarHBondContact CA-O 3.47Å
227K89.1Confident89.3Confident152 Ų15263.4 Ų63.466%0.66136%0.355SS*.  trans-72.7-12179.4-66.1176-178.91750114.5C224 S225 T229C224-K227 HydrophobicContact CB-CB 4.47Å; C224-K227 VanDerWaalsContact O-CB 3.25Å; C224-K227 WeakPolarHBondContact O-CB 3.14Å; C224-K227 VanDerWaalsContact O-CG 3.28Å; C224-K227 WeakPolarHBondContact O-CG 3.31Å; C224-K227 PolarHBondContact O-N 2.8Å; S225-K227 PolarHBondContact O-N 3Å; K227-T229 PolarHBondContact O-N 3.4Å
228K89.3Confident89.5Confident96 Ų9663.2 Ų63.242%0.41735%0.354SS..SBendtrans64.7-9.5-177.8-54.2178.4178.2-172.60115.1G226 N270 C274 G279 T280G226-K228 PolarHBondContact O-N 3.31Å; K228-N270 PolarHBondContact O-ND2 3.12Å; K228-C274 PolarHBondContact O-N 2.97Å; K228-G279 WeakPolarHBondContact CB-O 3.34Å; K228-G279 WeakPolarHBondContact CD-O 3.29Å; K228-G279 WeakPolarHBondContact CG-O 3.32Å; K228-G279 WeakPolarHBondContact O-CA 3.43Å; K228-T280 WeakPolarHBondContact CE-O 3.42Å
229T91.8Very high89.5Confident6 Ų665.6 Ų65.64%0.03737%0.37CS..BIsolated β-bridgetrans-102.1156176.357.30000111.4C224 K227 Y233 M235 T272C224-T229 WeakPolarHBondContact CB-O 3.42Å; K227-T229 PolarHBondContact O-N 3.4Å; T229-Y233 PolarHBondContact OG1-O 2.86Å; T229-M235 HydrophobicContact CG2-CG 3.72Å; T229-M235 HydrophobicContact CG2-SD 3.52Å; T229-M235 VanDerWaalsContact CG2-SD 3.52Å; T229-T272 WeakPolarHBondContact CA-O 3.49Å
230E90.8Very high89.5Confident32 Ų3271.1 Ų71.115%0.1539%0.389CS..PPolyproline II helixtrans-61.4140.8170.1-167.567.8-178.600110.6K223 G232 Y233 T272 C274 L275K223-E230 WeakPolarHBondContact CE-OE1 3.05Å; K223-E230 WeakPolarHBondContact CE-OE2 3.24Å; K223-E230 VanDerWaalsContact NZ-CD 3.33Å; K223-E230 IonicContact NZ-OE1 3.21Å; K223-E230 PolarHBondContact NZ-OE1 3.44Å; K223-E230 IonicContact NZ-OE2 2.6Å; K223-E230 PolarHBondContact NZ-OE2 3.05Å; E230-G232 PolarHBondContact O-N 2.8Å; E230-Y233 HydrophobicContact CB-CD2 3.94Å; E230-Y233 HydrophobicContact CG-CD2 4.36Å; E230-Y233 WeakPolarHBondContact O-CB 2.9Å; E230-Y233 PolarHBondContact O-N 2.89Å; E230-T272 HydrophobicContact CB-CG2 3.76Å; E230-T272 HydrophobicContact CG-CG2 4.47Å; E230-T272 PolarHBondContact N-O 2.85Å; E230-C274 WeakPolarHBondContact OE2-CA 3.41Å; E230-L275 PolarHBondContact OE2-N 3.4Å
231P89.4Confident89.5Confident72 Ų7269.4 Ų69.447%0.46838%0.379SS..THydrogen-bonded Turntrans-52129.6-179.4-28.736.9000112.4K223K223-P231 HydrophobicContact CG-CG 3.81Å; K223-P231 WeakPolarHBondContact O-CG 3.43Å
232G87.1Confident89.4Confident84 Ų8475.9 Ų75.987%0.86641%0.414SS*.THydrogen-bonded Turntrans95.6-19.9-175.600000114.5E230E230-G232 PolarHBondContact O-N 2.8Å
233Y89Confident89.3Confident138 Ų13874.2 Ų74.254%0.54141%0.409SS..  trans-96.2146.8175.6-63.8-90.8000111.6T229 E230 T272T229-Y233 PolarHBondContact OG1-O 2.86Å; E230-Y233 HydrophobicContact CB-CD2 3.94Å; E230-Y233 HydrophobicContact CG-CD2 4.36Å; E230-Y233 WeakPolarHBondContact O-CB 2.9Å; E230-Y233 PolarHBondContact O-N 2.89Å; Y233-T272 HydrophobicContact CD2-CG2 4.19Å; Y233-T272 HydrophobicContact CE2-CG2 4.33Å; Y233-T272 HydrophobicContact CG-CG2 4.37Å
234K86.6Confident89.2Confident182 Ų18274 Ų7479%0.79142%0.418SS*.  trans-111.2151.7177.4-63.8-179.3-177.51770110.3V236K234-V236 PolarHBondContact O-N 3.49Å
235M87.1Confident89.2Confident65 Ų6574 Ų7432%0.3242%0.418SS..  trans-61.6132.6168.7-71.7-67.3-85.500109.2T229 Q268 N270T229-M235 HydrophobicContact CG2-CG 3.72Å; T229-M235 HydrophobicContact CG2-SD 3.52Å; T229-M235 VanDerWaalsContact CG2-SD 3.52Å; M235-Q268 HydrophobicContact CE-CB 3.77Å; M235-N270 HydrophobicContact CE-CB 4.14Å; M235-N270 HydrophobicContact SD-CB 3.66Å
236V89.4Confident89.3Confident59 Ų5975 Ų7536%0.35842%0.415SS..EExtended strand (participates in β ladder)trans-105.2147-180-173.10000108.3K234 C238 Q268 Y269 K271K234-V236 PolarHBondContact O-N 3.49Å; V236-C238 PolarHBondContact O-N 2.88Å; V236-Q268 CarbonylContact O-C 3.59Å; V236-Q268 WeakPolarHBondContact O-CA 3.44Å; V236-Y269 PolarHBondContact N-O 2.98Å; V236-Y269 PolarHBondContact O-N 2.99Å; V236-K271 HydrophobicContact CG2-CD 4.24Å
237S90.9Very high89.3Confident66 Ų6674.5 Ų74.546%0.46241%0.405SS..EExtended strand (participates in β ladder)trans-56.3139.3170.7-174.50000110.1P239 G243S237-P239 WeakPolarHBondContact O-CD 3.21Å; S237-G243 WeakPolarHBondContact OG-CA 3.38Å; S237-G243 PolarHBondContact OG-N 3.21Å
238C90.1Very high89.3Confident1 Ų171 Ų711%0.00740%0.396CS..  trans-66121.2-178.6-1790000109.8V236 Y240 C241 N242 G243 C260 C263 G267V236-C238 PolarHBondContact O-N 2.88Å; C238-Y240 PolarHBondContact O-N 2.78Å; C238-C241 VanDerWaalsContact CB-SG 3.54Å; C238-N242 WeakPolarHBondContact O-CA 3.02Å; C238-N242 PolarHBondContact O-N 3.15Å; C238-G243 PolarHBondContact O-N 3.39Å; C238-C260 VanDerWaalsContact SG-SG 3.61Å; C238-C263 HydrophobicContact CB-CB 3.85Å; C238-G267 WeakPolarHBondContact CB-O 3.27Å; C238-G267 PolarHBondContact N-O 3.47Å
239P88.8Confident89.1Confident75 Ų7570.4 Ų70.449%0.48739%0.394SS..THydrogen-bonded Turntrans-70.7-16.6-175.327.9-35000113.6S237 N242S237-P239 WeakPolarHBondContact O-CD 3.21Å; P239-N242 PolarHBondContact O-OD1 3.42Å
240Y88.7Confident88.8Confident149 Ų14974.3 Ų74.358%0.58442%0.422SS*.THydrogen-bonded Turntrans-85-36.6-177.9-66.4-88.5000112.9C238 E247 R262C238-Y240 PolarHBondContact O-N 2.78Å; Y240-E247 VanDerWaalsContact CB-OE1 3.24Å; Y240-E247 WeakPolarHBondContact CB-OE1 3.37Å; Y240-R262 HydrophobicContact CD2-CB 3.67Å; Y240-R262 HydrophobicContact CD2-CG 3.74Å; Y240-R262 HydrophobicContact CE2-CB 4.12Å; Y240-R262 HydrophobicContact CE2-CG 3.77Å; Y240-R262 HydrophobicContact CG-CB 4.3Å
241C90.3Very high88.4Confident8 Ų881 Ų815%0.05445%0.453CS..THydrogen-bonded Turntrans-107.80.1177.969.60000113C238 G243 S244 G245 M246 E247 C260 C263C238-C241 VanDerWaalsContact CB-SG 3.54Å; C241-G243 PolarHBondContact O-N 2.86Å; C241-G243 VanDerWaalsContact O-N 3.14Å; C241-S244 WeakPolarHBondContact CB-OG 3.28Å; C241-S244 VanDerWaalsContact O-CB 3.29Å; C241-S244 WeakPolarHBondContact O-CB 3.42Å; C241-S244 PolarHBondContact O-N 3.24Å; C241-S244 PolarHBondContact O-OG 3.05Å; C241-G245 PolarHBondContact SG-N 3.4Å; C241-M246 VanDerWaalsContact CB-O 3.27Å; C241-M246 WeakPolarHBondContact CB-O 3.25Å; C241-E247 HydrophobicContact CB-CG 4.42Å; C241-C260 HydrophobicContact CB-CB 3.79Å; C241-C263 VanDerWaalsContact SG-SG 3.68Å
242N88.2Confident88.1Confident136 Ų13680.6 Ų80.673%0.72746%0.462SS*.THydrogen-bonded Turntrans48.437.1-173.3-67.1-40.3000113.4C238 P239C238-N242 WeakPolarHBondContact O-CA 3.02Å; C238-N242 PolarHBondContact O-N 3.15Å; P239-N242 PolarHBondContact O-OD1 3.42Å
243G88.1Confident88.2Confident37 Ų3782.3 Ų82.338%0.38146%0.458SS..THydrogen-bonded Turntrans87.9-6.8-178.800000115.7S237 C238 C241 G245 G267S237-G243 WeakPolarHBondContact OG-CA 3.38Å; S237-G243 PolarHBondContact OG-N 3.21Å; C238-G243 PolarHBondContact O-N 3.39Å; C241-G243 PolarHBondContact O-N 2.86Å; C241-G243 VanDerWaalsContact O-N 3.14Å; G243-G245 VanDerWaalsContact C-N 3.26Å; G243-G245 PolarHBondContact O-N 2.87Å; G243-G267 WeakPolarHBondContact CA-O 3.44Å
244S90.5Very high87.9Confident76 Ų7683.4 Ų83.453%0.53147%0.466SS..SBendtrans-73.3-13.8-178.366.80000114.6C241 M246C241-S244 WeakPolarHBondContact CB-OG 3.28Å; C241-S244 VanDerWaalsContact O-CB 3.29Å; C241-S244 WeakPolarHBondContact O-CB 3.42Å; C241-S244 PolarHBondContact O-N 3.24Å; C241-S244 PolarHBondContact O-OG 3.05Å; S244-M246 PolarHBondContact O-N 2.8Å; S244-M246 VanDerWaalsContact O-N 3.08Å; S244-M246 PolarHBondContact OG-N 3.34Å; S244-M246 PolarHBondContact OG-O 3.18Å
245G89.3Confident87.9Confident4 Ų480.9 Ų80.94%0.04146%0.46CS..SBendtrans70.6-5.6-174.700000114.4C241 G243 C260 G265C241-G245 PolarHBondContact SG-N 3.4Å; G243-G245 VanDerWaalsContact C-N 3.26Å; G243-G245 PolarHBondContact O-N 2.87Å; G245-C260 VanDerWaalsContact O-CB 3.29Å; G245-C260 WeakPolarHBondContact O-CB 3.41Å; G245-C260 PolarHBondContact O-N 3.16Å; G245-G265 WeakPolarHBondContact O-CA 3.36Å
246M92.2Very high87.9Confident107 Ų10783.3 Ų83.353%0.52747%0.471SS..EExtended strand (participates in β ladder)trans-123.4138.3-179.4-58.7-172.1-16500110.8C241 S244 Q258C241-M246 VanDerWaalsContact CB-O 3.27Å; C241-M246 WeakPolarHBondContact CB-O 3.25Å; S244-M246 PolarHBondContact O-N 2.8Å; S244-M246 VanDerWaalsContact O-N 3.08Å; S244-M246 PolarHBondContact OG-N 3.34Å; S244-M246 PolarHBondContact OG-O 3.18Å; M246-Q258 CarbonylContact C-O 3.55Å; M246-Q258 WeakPolarHBondContact CA-O 3.27Å
247E89.2Confident87.9Confident19 Ų1989.3 Ų89.39%0.08949%0.488CS..EExtended strand (participates in β ladder)trans-105.1128.2171.4-77.2165.9-170.900108.3Y240 C241 F249 R257 Q258 C260 R261Y240-E247 VanDerWaalsContact CB-OE1 3.24Å; Y240-E247 WeakPolarHBondContact CB-OE1 3.37Å; C241-E247 HydrophobicContact CB-CG 4.42Å; E247-F249 HydrophobicContact CB-CD2 4.06Å; E247-F249 HydrophobicContact CB-CE2 3.36Å; E247-F249 HydrophobicContact CB-CZ 4.09Å; E247-F249 HydrophobicContact CG-CE2 4.39Å; E247-F249 WeakPolarHBondContact OE2-CE2 3.41Å; E247-F249 WeakPolarHBondContact OE2-CZ 3.34Å; E247-R257 WeakPolarHBondContact O-CA 3.21Å; E247-Q258 PolarHBondContact N-O 3.23Å; E247-Q258 PolarHBondContact O-N 2.93Å; E247-C260 HydrophobicContact CG-CB 3.85Å; E247-C260 PolarHBondContact OE1-SG 3.41Å; E247-R261 PolarHBondContact OE1-N 3Å; E247-R261 PolarHBondContact OE2-N 3.24Å; E247-R261 VanDerWaalsContact OE2-N 3.15Å
248T88.4Confident88Confident79 Ų7988.3 Ų88.349%0.48548%0.476SS..EExtended strand (participates in β ladder)trans-94.8121.3174.5-56.30000108.4I255 R257T248-I255 HydrophobicContact CG2-CG2 3.33Å; T248-R257 HydrophobicContact CG2-CG 4.24Å; T248-R257 WeakPolarHBondContact OG1-CG 3.47Å
249F84.5Confident88.1Confident83 Ų8393 Ų9336%0.36451%0.505SS..EExtended strand (participates in β ladder)trans-109.9117.6175.2-67.4-99.7000108.1E247 M256 Q258E247-F249 HydrophobicContact CB-CD2 4.06Å; E247-F249 HydrophobicContact CB-CE2 3.36Å; E247-F249 HydrophobicContact CB-CZ 4.09Å; E247-F249 HydrophobicContact CG-CE2 4.39Å; E247-F249 WeakPolarHBondContact OE2-CE2 3.41Å; E247-F249 WeakPolarHBondContact OE2-CZ 3.34Å; F249-M256 PolarHBondContact N-O 3.08Å; F249-M256 PolarHBondContact O-N 3.46Å; F249-Q258 HydrophobicContact CD2-CG 3.62Å; F249-Q258 HydrophobicContact CE2-CG 3.37Å; F249-Q258 HydrophobicContact CZ-CG 4.46Å
250S85.2Confident88.2Confident89 Ų8989.5 Ų89.562%0.62248%0.482SS*.EExtended strand (participates in β ladder)trans-98.8114.9171.954.20000109F254S250-F254 WeakPolarHBondContact CA-O 3.29Å
251Q83.6Confident88.3Confident171 Ų17189.9 Ų89.980%0.79948%0.482SS*.EExtended strand (participates in β ladder)trans-116.398.6170.3-171.1170.49.400108.2F254Q251-F254 PolarHBondContact N-O 3.13Å; Q251-F254 PolarHBondContact O-N 2.89Å
252G83.6Confident88.2Confident65 Ų6595.3 Ų95.367%0.6750%0.502SS*.THydrogen-bonded Turntrans62.9-136-173.900000111.9F254G252-F254 PolarHBondContact O-N 3.41Å
253P88.6Confident88.2Confident119 Ų11989.1 Ų89.177%0.77347%0.469SS*.THydrogen-bonded Turntrans-73.1-4.7-179.531.2-34.4000113.6
254F82.9Confident88.2Confident162 Ų16295.6 Ų95.671%0.71149%0.487SS*.EExtended strand (participates in β ladder)trans-98.8125.9-179.7-59.2-76.1000111.1S250 Q251 G252S250-F254 WeakPolarHBondContact CA-O 3.29Å; Q251-F254 PolarHBondContact N-O 3.13Å; Q251-F254 PolarHBondContact O-N 2.89Å; G252-F254 PolarHBondContact O-N 3.41Å
255I86.6Confident88.1Confident129 Ų12993.8 Ų93.866%0.66248%0.48SS*.EExtended strand (participates in β ladder)trans-109.3117.8173.7-59.9175.7000107.9T248T248-I255 HydrophobicContact CG2-CG2 3.33Å
256M87.7Confident88Confident115 Ų11598.3 Ų98.357%0.56751%0.507SS*.EExtended strand (participates in β ladder)trans-116.7129178.7-177.4172.961.800110.2F249F249-M256 PolarHBondContact N-O 3.08Å; F249-M256 PolarHBondContact O-N 3.46Å
257R89.3Confident87.8Confident185 Ų18593.5 Ų93.570%0.69849%0.485SS*.EExtended strand (participates in β ladder)trans-98.1124.5170.7-71.8-175.2176.1175.22.9109.2E247 T248E247-R257 WeakPolarHBondContact O-CA 3.21Å; T248-R257 HydrophobicContact CG2-CG 4.24Å; T248-R257 WeakPolarHBondContact OG1-CG 3.47Å
258Q91.2Very high87.8Confident45 Ų4597.4 Ų97.421%0.2150%0.503CS..EExtended strand (participates in β ladder)trans-120.8157.517265.2-171.9-72.700109.9M246 E247 F249 C260 R261M246-Q258 CarbonylContact C-O 3.55Å; M246-Q258 WeakPolarHBondContact CA-O 3.27Å; E247-Q258 PolarHBondContact N-O 3.23Å; E247-Q258 PolarHBondContact O-N 2.93Å; F249-Q258 HydrophobicContact CD2-CG 3.62Å; F249-Q258 HydrophobicContact CE2-CG 3.37Å; F249-Q258 HydrophobicContact CZ-CG 4.46Å; Q258-C260 PolarHBondContact O-N 3.37Å; Q258-R261 VanDerWaalsContact OE1-CZ 3.28Å
259T93.1Very high87.7Confident101 Ų10196.4 Ų96.462%0.6249%0.491SS*.EExtended strand (participates in β ladder)trans-56.2131.5170.549.10000109R261T259-R261 PolarHBondContact O-N 3.18Å; T259-R261 VanDerWaalsContact O-N 3.13Å
260C91.1Very high87.9Confident0 Ų094.1 Ų94.10%048%0.483CS..  trans-52.7121.9-177.6168.20000110.5C238 C241 G245 E247 Q258 R262 C263 F264C238-C260 VanDerWaalsContact SG-SG 3.61Å; C241-C260 HydrophobicContact CB-CB 3.79Å; G245-C260 VanDerWaalsContact O-CB 3.29Å; G245-C260 WeakPolarHBondContact O-CB 3.41Å; G245-C260 PolarHBondContact O-N 3.16Å; E247-C260 HydrophobicContact CG-CB 3.85Å; E247-C260 PolarHBondContact OE1-SG 3.41Å; Q258-C260 PolarHBondContact O-N 3.37Å; C260-R262 PolarHBondContact O-N 3.08Å; C260-R262 VanDerWaalsContact O-N 3.17Å; C260-C263 WeakPolarHBondContact CB-SG 3.25Å; C260-C263 PolarHBondContact SG-N 3.34Å; C260-C263 PolarHBondContact SG-SG 3.05Å; C260-F264 VanDerWaalsContact O-CA 3.3Å; C260-F264 WeakPolarHBondContact O-CA 2.91Å; C260-F264 PolarHBondContact O-N 2.82Å
261R90.1Very high87.9Confident157 Ų15796.4 Ų96.459%0.59248%0.481SS*.THydrogen-bonded Turntrans-65.5-21.2-174.6-64179.4177.3-159.3-2.9112.6E247 Q258 T259E247-R261 PolarHBondContact OE1-N 3Å; E247-R261 PolarHBondContact OE2-N 3.24Å; E247-R261 VanDerWaalsContact OE2-N 3.15Å; Q258-R261 VanDerWaalsContact OE1-CZ 3.28Å; T259-R261 PolarHBondContact O-N 3.18Å; T259-R261 VanDerWaalsContact O-N 3.13Å
262R88.5Confident88.2Confident123 Ų12390.6 Ų90.646%0.46446%0.458SS..THydrogen-bonded Turntrans-92.5-42.3-176.9-161.372.7-176.2179.54.1114.4Y240 C260 Y269Y240-R262 HydrophobicContact CD2-CB 3.67Å; Y240-R262 HydrophobicContact CD2-CG 3.74Å; Y240-R262 HydrophobicContact CE2-CB 4.12Å; Y240-R262 HydrophobicContact CE2-CG 3.77Å; Y240-R262 HydrophobicContact CG-CB 4.3Å; C260-R262 PolarHBondContact O-N 3.08Å; C260-R262 VanDerWaalsContact O-N 3.17Å; R262-Y269 HydrophobicContact CG-CD2 3.76Å; R262-Y269 HydrophobicContact CG-CE2 3.84Å; R262-Y269 VanDerWaalsContact NE-CE2 3.26Å; R262-Y269 PolarHBondContact NH2-OH 2.96Å
263C88.7Confident88.5Confident5 Ų590.3 Ų90.33%0.03444%0.444CS..THydrogen-bonded Turntrans-99-3.9-179.972.70000113.4C238 C241 C260 G265 T266 G267 Q268C238-C263 HydrophobicContact CB-CB 3.85Å; C241-C263 VanDerWaalsContact SG-SG 3.68Å; C260-C263 WeakPolarHBondContact CB-SG 3.25Å; C260-C263 PolarHBondContact SG-N 3.34Å; C260-C263 PolarHBondContact SG-SG 3.05Å; C263-G265 PolarHBondContact O-N 2.79Å; C263-T266 WeakPolarHBondContact CB-OG1 3.38Å; C263-T266 WeakPolarHBondContact O-CB 3.28Å; C263-T266 WeakPolarHBondContact O-CG2 3.41Å; C263-T266 PolarHBondContact O-N 2.87Å; C263-T266 PolarHBondContact O-OG1 2.89Å; C263-G267 PolarHBondContact SG-N 3.43Å; C263-Q268 VanDerWaalsContact CB-O 3.27Å; C263-Q268 WeakPolarHBondContact CB-O 3.45Å
264F88.2Confident88.7Confident173 Ų17384.6 Ų84.676%0.75941%0.407SS*.THydrogen-bonded Turntrans50.938.1-175.9-56.6-78.7000112.6C260C260-F264 VanDerWaalsContact O-CA 3.3Å; C260-F264 WeakPolarHBondContact O-CA 2.91Å; C260-F264 PolarHBondContact O-N 2.82Å
265G88.3Confident89.1Confident38 Ų3883.1 Ų83.139%0.39241%0.406SS..THydrogen-bonded Turntrans88-7.6-179.400000116.1G245 C263 G267G245-G265 WeakPolarHBondContact O-CA 3.36Å; C263-G265 PolarHBondContact O-N 2.79Å; G265-G267 VanDerWaalsContact C-N 3.25Å; G265-G267 PolarHBondContact O-N 3.27Å
266T87.4Confident89.3Confident99 Ų9981.2 Ų81.261%0.60739%0.394SS*.SBendtrans-72.7-14.4-17760.60000114.5C263 Q268C263-T266 WeakPolarHBondContact CB-OG1 3.38Å; C263-T266 WeakPolarHBondContact O-CB 3.28Å; C263-T266 WeakPolarHBondContact O-CG2 3.41Å; C263-T266 PolarHBondContact O-N 2.87Å; C263-T266 PolarHBondContact O-OG1 2.89Å; T266-Q268 PolarHBondContact O-N 2.8Å; T266-Q268 PolarHBondContact OG1-O 3.12Å
267G87.3Confident89.4Confident7 Ų776.1 Ų76.17%0.07237%0.37CS..SBendtrans70.3-8.2-175.300000114.3C238 G243 C263 G265C238-G267 WeakPolarHBondContact CB-O 3.27Å; C238-G267 PolarHBondContact N-O 3.47Å; G243-G267 WeakPolarHBondContact CA-O 3.44Å; C263-G267 PolarHBondContact SG-N 3.43Å; G265-G267 VanDerWaalsContact C-N 3.25Å; G265-G267 PolarHBondContact O-N 3.27Å
268Q89.5Confident89.5Confident101 Ų10175.3 Ų75.347%0.47237%0.374SS..EExtended strand (participates in β ladder)trans-118.6145.1-179.3-60-174.5-5.200110.8M235 V236 C263 T266M235-Q268 HydrophobicContact CE-CB 3.77Å; V236-Q268 CarbonylContact O-C 3.59Å; V236-Q268 WeakPolarHBondContact O-CA 3.44Å; C263-Q268 VanDerWaalsContact CB-O 3.27Å; C263-Q268 WeakPolarHBondContact CB-O 3.45Å; T266-Q268 PolarHBondContact O-N 2.8Å; T266-Q268 PolarHBondContact OG1-O 3.12Å
269Y87.3Confident89.2Confident57 Ų5774 Ų7422%0.22437%0.373CS..EExtended strand (participates in β ladder)trans-118.4123.6177.5178.5-111.2000110.1V236 R262 K271V236-Y269 PolarHBondContact N-O 2.98Å; V236-Y269 PolarHBondContact O-N 2.99Å; R262-Y269 HydrophobicContact CG-CD2 3.76Å; R262-Y269 HydrophobicContact CG-CE2 3.84Å; R262-Y269 VanDerWaalsContact NE-CE2 3.26Å; R262-Y269 PolarHBondContact NH2-OH 2.96Å; Y269-K271 HydrophobicContact CD1-CG 3.68Å; Y269-K271 HydrophobicContact CE1-CB 4.36Å; Y269-K271 HydrophobicContact CE1-CG 3.62Å; Y269-K271 PolarHBondContact O-N 3.4Å
270N87.1Confident88.9Confident36 Ų3673.4 Ų73.419%0.19337%0.369CS..  trans-86.697.8176.5-167.8-8000109.8K228 M235 T272 P273K228-N270 PolarHBondContact O-ND2 3.12Å; M235-N270 HydrophobicContact CE-CB 4.14Å; M235-N270 HydrophobicContact SD-CB 3.66Å; N270-T272 VanDerWaalsContact C-N 3.3Å; N270-T272 PolarHBondContact OD1-N 3.33Å; N270-T272 PolarHBondContact OD1-O 3.01Å; N270-T272 VanDerWaalsContact OD1-O 3.11Å; N270-P273 WeakPolarHBondContact ND2-CA 3.39Å
271K86.6Confident88.8Confident136 Ų13673.4 Ų73.459%0.59137%0.369SS*.SBendtrans-66.4-33.7177.1-72.4-176177.5-175.70112.4V236 Y269V236-K271 HydrophobicContact CG2-CD 4.24Å; Y269-K271 HydrophobicContact CD1-CG 3.68Å; Y269-K271 HydrophobicContact CE1-CB 4.36Å; Y269-K271 HydrophobicContact CE1-CG 3.62Å; Y269-K271 PolarHBondContact O-N 3.4Å
272T89.4Confident88.8Confident49 Ų4969.7 Ų69.730%0.30136%0.361SS..SBendtrans-134.979.8-171.7-44.60000108.5T229 E230 Y233 N270T229-T272 WeakPolarHBondContact CA-O 3.49Å; E230-T272 HydrophobicContact CB-CG2 3.76Å; E230-T272 HydrophobicContact CG-CG2 4.47Å; E230-T272 PolarHBondContact N-O 2.85Å; Y233-T272 HydrophobicContact CD2-CG2 4.19Å; Y233-T272 HydrophobicContact CE2-CG2 4.33Å; Y233-T272 HydrophobicContact CG-CG2 4.37Å; N270-T272 VanDerWaalsContact C-N 3.3Å; N270-T272 PolarHBondContact OD1-N 3.33Å; N270-T272 PolarHBondContact OD1-O 3.01Å; N270-T272 VanDerWaalsContact OD1-O 3.11Å
273P90.8Very high89Confident59 Ų5964.6 Ų64.638%0.38334%0.344SS..BIsolated β-bridgetrans-59.9145.3177.626.7-33.8000110.2N270 L275N270-P273 WeakPolarHBondContact ND2-CA 3.39Å; P273-L275 PolarHBondContact O-N 3.32Å
274C91.5Very high89.1Confident0 Ų068.8 Ų68.80%037%0.369CS..  trans-59.9130.2176.5178.10000109.8C224 K228 E230 E276 C277 E278C224-C274 HydrophobicContact CB-CB 3.83Å; K228-C274 PolarHBondContact O-N 2.97Å; E230-C274 WeakPolarHBondContact OE2-CA 3.41Å; C274-E276 PolarHBondContact O-N 3.02Å; C274-C277 VanDerWaalsContact CB-SG 3.6Å; C274-E278 WeakPolarHBondContact O-CA 2.96Å; C274-E278 PolarHBondContact O-N 2.99Å
275L91.7Very high89Confident130 Ų13062.6 Ų62.668%0.68134%0.343SS*.THydrogen-bonded Turntrans-67.4-21.1-175.9-62173.9000113.9E230 P273E230-L275 PolarHBondContact OE2-N 3.4Å; P273-L275 PolarHBondContact O-N 3.32Å
276E90.2Very high89Confident90 Ų9069.8 Ų69.842%0.42136%0.358SS..THydrogen-bonded Turntrans-89.4-33.3-176.9-161.4-169.816000113P222 K223 C274 T283P222-E276 WeakPolarHBondContact CD-OE1 3.11Å; P222-E276 WeakPolarHBondContact CG-OE1 3.42Å; P222-E276 WeakPolarHBondContact CG-OE2 3.07Å; K223-E276 HydrophobicContact CB-CB 4.34Å; K223-E276 WeakPolarHBondContact CB-OE2 3.5Å; K223-E276 HydrophobicContact CD-CB 4.16Å; K223-E276 PolarHBondContact N-OE2 3.07Å; C274-E276 PolarHBondContact O-N 3.02Å; E276-T283 HydrophobicContact CG-CG2 4.18Å; E276-T283 WeakPolarHBondContact O-CG2 3.2Å
277C91.1Very high89Confident8 Ų867.8 Ų67.85%0.05434%0.341CS..THydrogen-bonded Turntrans-111-0.218073.90000113.6C221 C274 G279 T280 G281 N282 T283C221-C277 HydrophobicContact CB-CB 3.8Å; C274-C277 VanDerWaalsContact CB-SG 3.6Å; C277-G279 PolarHBondContact O-N 3.46Å; C277-G279 VanDerWaalsContact O-N 3.09Å; C277-T280 WeakPolarHBondContact CB-OG1 3.5Å; C277-T280 WeakPolarHBondContact O-CB 3.36Å; C277-T280 WeakPolarHBondContact O-CG2 3.39Å; C277-T280 PolarHBondContact O-N 3.36Å; C277-T280 PolarHBondContact O-OG1 3.17Å; C277-G281 PolarHBondContact SG-N 2.63Å; C277-N282 WeakPolarHBondContact CB-O 3.26Å; C277-T283 HydrophobicContact CB-CG2 3.57Å
278E89.8Confident89.1Confident167 Ų16772.1 Ų72.178%0.7837%0.366SS*.THydrogen-bonded Turntrans52.532.9-178-57.9-178.3173.900113.1C274C274-E278 WeakPolarHBondContact O-CA 2.96Å; C274-E278 PolarHBondContact O-N 2.99Å
279G85.9Confident89Confident19 Ų1968.4 Ų68.420%0.19635%0.35CS..THydrogen-bonded Turntrans83.34.1-179.500000115.7K228 C277K228-G279 WeakPolarHBondContact CB-O 3.34Å; K228-G279 WeakPolarHBondContact CD-O 3.29Å; K228-G279 WeakPolarHBondContact CG-O 3.32Å; K228-G279 WeakPolarHBondContact O-CA 3.43Å; C277-G279 PolarHBondContact O-N 3.46Å; C277-G279 VanDerWaalsContact O-N 3.09Å
280T87.2Confident89.1Confident87 Ų8768.5 Ų68.553%0.53436%0.362SS..SBendtrans-73.1-32.4175.561.50000112.6K228 C277 N282K228-T280 WeakPolarHBondContact CE-O 3.42Å; C277-T280 WeakPolarHBondContact CB-OG1 3.5Å; C277-T280 WeakPolarHBondContact O-CB 3.36Å; C277-T280 WeakPolarHBondContact O-CG2 3.39Å; C277-T280 PolarHBondContact O-N 3.36Å; C277-T280 PolarHBondContact O-OG1 3.17Å; T280-N282 PolarHBondContact OG1-O 2.93Å
281G88Confident89.2Confident1 Ų166.9 Ų66.91%0.0135%0.354CS..SBendtrans91.8-11.1-178.100000114.3C221 G226 C277C221-G281 WeakPolarHBondContact CB-O 3.43Å; C221-G281 PolarHBondContact N-O 3.26Å; G226-G281 WeakPolarHBondContact CA-O 3.47Å; C277-G281 PolarHBondContact SG-N 2.63Å
282N91.2Very high89.2Confident78 Ų7864.2 Ų64.242%0.41735%0.351SS..EExtended strand (participates in β ladder)trans-126.6150.3179.5-58.1-29.5000110.2V218 D219 C277 T280V218-N282 HydrophobicContact CG1-CB 3.54Å; D219-N282 CarbonylContact O-C 3.59Å; D219-N282 WeakPolarHBondContact O-CA 3.49Å; D219-N282 WeakPolarHBondContact O-CB 3.26Å; C277-N282 WeakPolarHBondContact CB-O 3.26Å; T280-N282 PolarHBondContact OG1-O 2.93Å
283T91.3Very high89.1Confident17 Ų1762.8 Ų62.810%0.10434%0.342CS..EExtended strand (participates in β ladder)trans-131.7150.9172.857.20000110D219 C221 P222 E276 C277 Q285D219-T283 PolarHBondContact N-O 3.35Å; D219-T283 PolarHBondContact O-N 3.37Å; C221-T283 HydrophobicContact CB-CG2 3.91Å; P222-T283 WeakPolarHBondContact CD-OG1 3.47Å; E276-T283 HydrophobicContact CG-CG2 4.18Å; E276-T283 WeakPolarHBondContact O-CG2 3.2Å; C277-T283 HydrophobicContact CB-CG2 3.57Å; T283-Q285 PolarHBondContact O-N 3.08Å
284V90.7Very high88.9Confident93 Ų9362.6 Ų62.656%0.56434%0.34SS*.EExtended strand (participates in β ladder)trans-72.2110172.5-178.90000107.6N216 V218N216-V284 HydrophobicContact CB-CG1 3.86Å; V218-V284 HydrophobicContact CG2-CG2 3.69Å
285Q86.3Confident88.7Confident43 Ų4363.8 Ų63.820%0.20135%0.35CS..EExtended strand (participates in β ladder)trans-106.1133.6178-66-179-000110.1V217 T220 P222 T283 K287V217-Q285 PolarHBondContact N-O 3.17Å; V217-Q285 PolarHBondContact O-N 3.5Å; T220-Q285 PolarHBondContact O-NE2 2.74Å; P222-Q285 VanDerWaalsContact CD-NE2 3.33Å; T283-Q285 PolarHBondContact O-N 3.08Å; Q285-K287 PolarHBondContact O-N 3.41Å
286R89.5Confident88.4Confident188 Ų18857.6 Ų57.671%0.70932%0.318SS*.EExtended strand (participates in β ladder)trans-80.2113.3169.4-178.5177.4-77.5-179.4-4.2108.8
287K86.8Confident88.3Confident58 Ų5853.6 Ų53.625%0.25230%0.3SS..EExtended strand (participates in β ladder)trans-111.6134.3176.3-67.5-170.2177.2-171.10110.6S214 V215 D219 Q285 V307S214-K287 WeakPolarHBondContact CA-O 3.36Å; V215-K287 PolarHBondContact N-O 2.92Å; V215-K287 PolarHBondContact O-N 2.85Å; D219-K287 WeakPolarHBondContact OD2-CE 3.46Å; D219-K287 IonicContact OD2-NZ 3.14Å; D219-K287 PolarHBondContact OD2-NZ 3.45Å; Q285-K287 PolarHBondContact O-N 3.41Å; K287-V307 HydrophobicContact CB-CG1 4.45Å; K287-V307 HydrophobicContact CD-CG1 4.31Å
288T89.7Confident88Confident97 Ų9758 Ų5860%0.59532%0.319SS*.EExtended strand (participates in β ladder)trans-88118.5171.4-53.60000108.8N212 I213N212-T288 HydrophobicContact CB-CG2 3.85Å; I213-T288 CarbonylContact O-C 3.37Å; I213-T288 WeakPolarHBondContact O-CA 3.46Å
289V88Confident87.9Confident24 Ų2455.2 Ų55.215%0.14531%0.31CS..EExtended strand (participates in β ladder)trans-114.3128.5-178.2-1770000108.9N212 I213 V291 I305 V307N212-V289 WeakPolarHBondContact CA-O 3.5Å; I213-V289 HydrophobicContact CG1-CB 4.35Å; I213-V289 PolarHBondContact N-O 2.77Å; I213-V289 PolarHBondContact O-N 2.81Å; V289-V291 HydrophobicContact CG1-CG2 4.1Å; V289-V291 PolarHBondContact O-N 3.09Å; V289-I305 HydrophobicContact CG1-CG2 4.31Å; V289-V307 HydrophobicContact CB-CG2 4.5Å; V289-V307 HydrophobicContact CG1-CG2 4.18Å; V289-V307 HydrophobicContact CG2-CB 4.27Å; V289-V307 HydrophobicContact CG2-CG1 3.5Å; V289-V307 VanDerWaalsContact CG2-CG1 3.5Å; V289-V307 HydrophobicContact CG2-CG2 3.73Å
290A89Confident87.9Confident58 Ų5856.3 Ų56.348%0.47932%0.321SS..EExtended strand (participates in β ladder)trans-81.4109.7172.600000109.3T210 N212T210-A290 HydrophobicContact CG2-CB 4Å; N212-A290 WeakPolarHBondContact OD1-CA 3.36Å; N212-A290 WeakPolarHBondContact OD1-CB 3.42Å
291V88.4Confident87.9Confident2 Ų255 Ų551%0.01231%0.308CS..EExtended strand (participates in β ladder)trans-102.5114.5-179.4175.30000109.3R211 I213 V289 V293 L303 I305 F316R211-V291 PolarHBondContact N-O 3.44Å; R211-V291 PolarHBondContact O-N 3.04Å; I213-V291 HydrophobicContact CD1-CG2 3.51Å; I213-V291 HydrophobicContact CG1-CG2 3.66Å; V289-V291 HydrophobicContact CG1-CG2 4.1Å; V289-V291 PolarHBondContact O-N 3.09Å; V291-V293 PolarHBondContact O-N 2.87Å; V291-L303 HydrophobicContact CG1-CD2 4.06Å; V291-I305 HydrophobicContact CB-CD1 3.84Å; V291-I305 HydrophobicContact CG1-CD1 3.31Å; V291-I305 HydrophobicContact CG2-CD1 3.28Å; V291-F316 HydrophobicContact CG1-CE1 4.5Å; V291-F316 HydrophobicContact CG1-CZ 3.79Å
292P86.9Confident87.9Confident81 Ų8158.3 Ų58.353%0.52633%0.329SS..EExtended strand (participates in β ladder)trans-70.7121.7172.928.9-31.7000109P294P292-P294 WeakPolarHBondContact O-CD 3.48Å
293V87.5Confident87.7Confident19 Ų1957.3 Ų57.312%0.11532%0.323CS..EExtended strand (participates in β ladder)trans-92.5112.3173.8-172.70000108.4G208 V209 R211 V291 I297 F316G208-V293 VanDerWaalsContact CA-O 3.28Å; G208-V293 WeakPolarHBondContact CA-O 3.44Å; V209-V293 PolarHBondContact N-O 3.5Å; V209-V293 WeakPolarHBondContact O-CB 3.12Å; V209-V293 VanDerWaalsContact O-CG2 3.29Å; V209-V293 WeakPolarHBondContact O-CG2 3.44Å; V209-V293 PolarHBondContact O-N 3.13Å; R211-V293 HydrophobicContact CB-CG2 4.39Å; R211-V293 HydrophobicContact CG-CG2 4.13Å; V291-V293 PolarHBondContact O-N 2.87Å; V293-I297 HydrophobicContact CG1-CB 4.36Å; V293-I297 HydrophobicContact CG1-CD1 4.21Å; V293-I297 HydrophobicContact CG1-CG2 3.74Å; V293-F316 HydrophobicContact CB-CE1 4.32Å; V293-F316 HydrophobicContact CG1-CD1 4.28Å; V293-F316 HydrophobicContact CG1-CE1 4.04Å; V293-F316 HydrophobicContact CG1-CZ 4.45Å; V293-F316 HydrophobicContact CG2-CD1 4.34Å; V293-F316 HydrophobicContact CG2-CE1 3.48Å; V293-F316 VanDerWaalsContact CG2-CE1 3.48Å; V293-F316 HydrophobicContact CG2-CZ 3.95Å
294P86.9Confident87.6Confident54 Ų5463.6 Ų63.635%0.35135%0.345SS..  trans-56.3139.9175.9-24.233.7000111.8P292 G296 I297P292-P294 WeakPolarHBondContact O-CD 3.48Å; P294-G296 PolarHBondContact O-N 3.31Å; P294-I297 PolarHBondContact O-N 2.79Å
295A86.6Confident87.5Confident25 Ų2560.5 Ų60.521%0.20733%0.325CS..THydrogen-bonded Turntrans-62.4133.1173.400000110.1K379A295-K379 HydrophobicContact CB-CB 4.33Å; A295-K379 HydrophobicContact CB-CD 4.12Å
296G85.4Confident87.6Confident1 Ų165.1 Ų65.11%0.0135%0.346CS..THydrogen-bonded Turntrans83.110.4179.800000115.4P294 R326 K379 V381P294-G296 PolarHBondContact O-N 3.31Å; G296-R326 PolarHBondContact O-NH1 2.97Å; G296-R326 PolarHBondContact O-NH2 3.42Å; G296-K379 WeakPolarHBondContact CA-O 3.4Å; G296-V381 VanDerWaalsContact C-CG2 3.43Å; G296-V381 WeakPolarHBondContact O-CG2 3.46Å
297I87.6Confident87.4Confident6 Ų656.5 Ų56.53%0.03132%0.315CS..PPolyproline II helixtrans-48138.7177.5-167.7151.7000113.1V293 P294 Q301 F316 R326V293-I297 HydrophobicContact CG1-CB 4.36Å; V293-I297 HydrophobicContact CG1-CD1 4.21Å; V293-I297 HydrophobicContact CG1-CG2 3.74Å; P294-I297 PolarHBondContact O-N 2.79Å; I297-Q301 HydrophobicContact CD1-CB 4.38Å; I297-Q301 HydrophobicContact CG1-CB 3.94Å; I297-Q301 HydrophobicContact CG1-CG 4.31Å; I297-F316 HydrophobicContact CD1-CB 3.93Å; I297-F316 HydrophobicContact CD1-CD1 4.22Å; I297-F316 HydrophobicContact CD1-CD2 3.13Å; I297-F316 HydrophobicContact CD1-CE2 3.55Å; I297-F316 HydrophobicContact CD1-CG 3.48Å; I297-F316 VanDerWaalsContact CD1-CG 3.48Å; I297-F316 HydrophobicContact CD1-CZ 4.26Å; I297-F316 HydrophobicContact CG1-CB 4.33Å; I297-F316 HydrophobicContact CG1-CD2 4.3Å; I297-F316 HydrophobicContact CG1-CG 4.38Å; I297-R326 PolarHBondContact O-NH1 2.96Å
298E85.5Confident87.2Confident100 Ų10056.5 Ų56.547%0.46733%0.331SS..PPolyproline II helixtrans-85.3158179.4-68.6179.6-177.300112.2Q301E298-Q301 HydrophobicContact CB-CB 4.43Å; E298-Q301 VanDerWaalsContact N-OE1 3.16Å; E298-Q301 WeakPolarHBondContact O-CB 3.48Å; E298-Q301 PolarHBondContact O-N 2.95Å
299D86.8Confident86.8Confident109 Ų10960.7 Ų60.758%0.58334%0.341SS*.THydrogen-bonded Turntrans-68.6131.5174.2-172.545.9000110.3Q301 K317 V318D299-Q301 VanDerWaalsContact C-N 3.29Å; D299-Q301 PolarHBondContact O-N 3.44Å; D299-K317 VanDerWaalsContact OD1-CA 3.25Å; D299-K317 WeakPolarHBondContact OD1-CA 3.37Å; D299-V318 HydrophobicContact CB-CB 4.18Å; D299-V318 HydrophobicContact CB-CG2 4.28Å; D299-V318 PolarHBondContact OD1-N 2.68Å
300G87.5Confident86.5Confident41 Ų4162.2 Ų62.242%0.42335%0.346SS..THydrogen-bonded Turntrans80.42.1-176.200000114.8T302 F316G300-T302 PolarHBondContact O-N 3.46Å; G300-F316 VanDerWaalsContact CA-O 3.27Å; G300-F316 WeakPolarHBondContact CA-O 3.4Å; G300-F316 PolarHBondContact N-O 2.7Å
301Q86.3Confident86.4Confident59 Ų5963.6 Ų63.628%0.27634%0.342SS..  trans-68.4131.8178-171.5170.2-3.900110.9I297 E298 D299 F316I297-Q301 HydrophobicContact CD1-CB 4.38Å; I297-Q301 HydrophobicContact CG1-CB 3.94Å; I297-Q301 HydrophobicContact CG1-CG 4.31Å; E298-Q301 HydrophobicContact CB-CB 4.43Å; E298-Q301 VanDerWaalsContact N-OE1 3.16Å; E298-Q301 WeakPolarHBondContact O-CB 3.48Å; E298-Q301 PolarHBondContact O-N 2.95Å; D299-Q301 VanDerWaalsContact C-N 3.29Å; D299-Q301 PolarHBondContact O-N 3.44Å; Q301-F316 WeakPolarHBondContact O-CD2 3.15Å; Q301-F316 PolarHBondContact O-N 3.28Å
302T88.8Confident86.3Confident71 Ų7164.8 Ų64.844%0.43635%0.349SS..EExtended strand (participates in β ladder)trans-104.2128.4179.5-53.20000111.5G300 F313 V314 T315G300-T302 PolarHBondContact O-N 3.46Å; T302-F313 HydrophobicContact CG2-CB 3.76Å; T302-F313 HydrophobicContact CG2-CD1 4.12Å; T302-F313 HydrophobicContact CG2-CG 4.44Å; T302-V314 CarbonylContact C-O 3.54Å; T302-V314 WeakPolarHBondContact CA-O 3.21Å; T302-T315 PolarHBondContact OG1-OG1 2.93Å
303L86.6Confident86.5Confident57 Ų5767.3 Ų67.330%0.29835%0.352SS..EExtended strand (participates in β ladder)trans-105.5132.5172.1-175.268.2000110.1V291 I305 V314 F316V291-L303 HydrophobicContact CG1-CD2 4.06Å; L303-I305 HydrophobicContact CD2-CD1 3.87Å; L303-I305 HydrophobicContact CD2-CG1 4Å; L303-I305 HydrophobicContact CG-CD1 4.28Å; L303-I305 HydrophobicContact CG-CG1 3.94Å; L303-V314 PolarHBondContact N-O 3.35Å; L303-V314 PolarHBondContact O-N 3.23Å; L303-F316 HydrophobicContact CB-CE2 3.71Å; L303-F316 HydrophobicContact CD2-CE2 4.3Å; L303-F316 HydrophobicContact CD2-CZ 4.49Å
304R89.8Confident86.5Confident149 Ų14967.4 Ų67.456%0.56235%0.353SS*.EExtended strand (participates in β ladder)trans-91.2126.1174.4-172.8177.172.8149.1-5.1110.1E311 F313R304-E311 WeakPolarHBondContact CD-OE2 3.23Å; R304-E311 IonicContact CZ-OE1 2.66Å; R304-E311 IonicContact CZ-OE2 3.63Å; R304-E311 IonicContact NE-OE2 3.42Å; R304-E311 IonicContact NH1-OE1 3.65Å; R304-E311 PolarHBondContact NH1-OE1 2.92Å; R304-E311 IonicContact NH1-OE2 3.05Å; R304-E311 PolarHBondContact NH1-OE2 2.99Å; R304-F313 HydrophobicContact CB-CD1 4.15Å; R304-F313 HydrophobicContact CB-CE1 4.05Å; R304-F313 HydrophobicContact CG-CD1 4.19Å; R304-F313 HydrophobicContact CG-CE1 3.8Å; R304-F313 HydrophobicContact CG-CZ 4.23Å
305I88Confident86.6Confident28 Ų2868.4 Ų68.414%0.14436%0.358CS..EExtended strand (participates in β ladder)trans-132.1136.3-175.6-48.5179.5000109V289 V291 L303 V307 V312 V314V289-I305 HydrophobicContact CG1-CG2 4.31Å; V291-I305 HydrophobicContact CB-CD1 3.84Å; V291-I305 HydrophobicContact CG1-CD1 3.31Å; V291-I305 HydrophobicContact CG2-CD1 3.28Å; L303-I305 HydrophobicContact CD2-CD1 3.87Å; L303-I305 HydrophobicContact CD2-CG1 4Å; L303-I305 HydrophobicContact CG-CD1 4.28Å; L303-I305 HydrophobicContact CG-CG1 3.94Å; I305-V307 HydrophobicContact CG2-CG2 4.46Å; I305-V312 PolarHBondContact N-O 3.1Å; I305-V312 PolarHBondContact O-N 3.33Å; I305-V314 HydrophobicContact CD1-CB 4.27Å; I305-V314 HydrophobicContact CD1-CG2 3.71Å; I305-V314 HydrophobicContact CG1-CG2 4.35Å
306Q87.9Confident86.6Confident140 Ų14068.6 Ų68.665%0.65435%0.354SS*.EExtended strand (participates in β ladder)trans-86.6126.2174-68-173.4-800110.1E311Q306-E311 HydrophobicContact CG-CG 4.38Å; Q306-E311 PolarHBondContact NE2-OE1 3.47Å
307V85Confident86.7Confident8 Ų876.6 Ų76.65%0.04839%0.389CS..EExtended strand (participates in β ladder)trans-123.794.1177.9-173.20000108.2V217 K287 V289 I305 K309 K310 V312V217-V307 HydrophobicContact CG2-CB 4.25Å; V217-V307 HydrophobicContact CG2-CG1 3.8Å; K287-V307 HydrophobicContact CB-CG1 4.45Å; K287-V307 HydrophobicContact CD-CG1 4.31Å; V289-V307 HydrophobicContact CB-CG2 4.5Å; V289-V307 HydrophobicContact CG1-CG2 4.18Å; V289-V307 HydrophobicContact CG2-CB 4.27Å; V289-V307 HydrophobicContact CG2-CG1 3.5Å; V289-V307 VanDerWaalsContact CG2-CG1 3.5Å; V289-V307 HydrophobicContact CG2-CG2 3.73Å; I305-V307 HydrophobicContact CG2-CG2 4.46Å; V307-K309 PolarHBondContact O-N 3.39Å; V307-K310 PolarHBondContact N-O 2.87Å; V307-K310 PolarHBondContact O-N 2.87Å; V307-V312 HydrophobicContact CB-CG2 3.95Å; V307-V312 HydrophobicContact CG2-CB 4.09Å; V307-V312 HydrophobicContact CG2-CG2 3.64Å
308G82.2Confident86.5Confident57 Ų5778.7 Ų78.759%0.58840%0.402SS*.THydrogen-bonded Turntrans68-122.7-171.200000111
309K81.7Confident86.4Confident185 Ų18576.3 Ų76.380%0.80440%0.396SS*.THydrogen-bonded Turntrans-93.2-3178.2-63.8179.1-178.4173.10113.9V307V307-K309 PolarHBondContact O-N 3.39Å
310K81.8Confident86.3Confident56 Ų5680.8 Ų80.824%0.24341%0.411CS..EExtended strand (participates in β ladder)trans-108.6147.5-178.7-66.1-161.4175.8-163.80110.9N188 D189 V217 V218 V307N188-K310 PolarHBondContact O-NZ 3.35Å; D189-K310 IonicContact OD2-NZ 3.41Å; D189-K310 PolarHBondContact OD2-NZ 2.66Å; V217-K310 HydrophobicContact CG1-CB 3.94Å; V217-K310 HydrophobicContact CG1-CD 3.85Å; V217-K310 HydrophobicContact CG1-CG 4.04Å; V218-K310 WeakPolarHBondContact O-CE 3.42Å; V307-K310 PolarHBondContact N-O 2.87Å; V307-K310 PolarHBondContact O-N 2.87Å
311E87.9Confident86.2Confident87 Ų8780.3 Ų80.341%0.40740%0.401SS..EExtended strand (participates in β ladder)trans-91137.3169.1-54.4-161.6142.400109.4R304 Q306R304-E311 WeakPolarHBondContact CD-OE2 3.23Å; R304-E311 IonicContact CZ-OE1 2.66Å; R304-E311 IonicContact CZ-OE2 3.63Å; R304-E311 IonicContact NE-OE2 3.42Å; R304-E311 IonicContact NH1-OE1 3.65Å; R304-E311 PolarHBondContact NH1-OE1 2.92Å; R304-E311 IonicContact NH1-OE2 3.05Å; R304-E311 PolarHBondContact NH1-OE2 2.99Å; Q306-E311 HydrophobicContact CG-CG 4.38Å; Q306-E311 PolarHBondContact NE2-OE1 3.47Å
312V86.5Confident86.2Confident27 Ų2783.2 Ų83.216%0.16443%0.427CS..EExtended strand (participates in β ladder)trans-121.3131.2178-179.10000108.4V215 V217 I305 V307 V314V215-V312 HydrophobicContact CG1-CG1 4.19Å; V215-V312 HydrophobicContact CG1-CG2 4.27Å; V217-V312 HydrophobicContact CG2-CG2 4.44Å; I305-V312 PolarHBondContact N-O 3.1Å; I305-V312 PolarHBondContact O-N 3.33Å; V307-V312 HydrophobicContact CB-CG2 3.95Å; V307-V312 HydrophobicContact CG2-CB 4.09Å; V307-V312 HydrophobicContact CG2-CG2 3.64Å; V312-V314 HydrophobicContact CG1-CG2 4.18Å
313F90.1Very high86.1Confident134 Ų13482.8 Ų82.859%0.58843%0.425SS*.EExtended strand (participates in β ladder)trans-98.1115175-65.1-85.6000109.2T302 R304T302-F313 HydrophobicContact CG2-CB 3.76Å; T302-F313 HydrophobicContact CG2-CD1 4.12Å; T302-F313 HydrophobicContact CG2-CG 4.44Å; R304-F313 HydrophobicContact CB-CD1 4.15Å; R304-F313 HydrophobicContact CB-CE1 4.05Å; R304-F313 HydrophobicContact CG-CD1 4.19Å; R304-F313 HydrophobicContact CG-CE1 3.8Å; R304-F313 HydrophobicContact CG-CZ 4.23Å
314V87.5Confident86.4Confident22 Ų2281.6 Ų81.613%0.13342%0.418CS..EExtended strand (participates in β ladder)trans-103.7104.9-179.9-177.60000108.6I213 T302 L303 I305 V312 F316I213-V314 HydrophobicContact CD1-CG1 4.36Å; I213-V314 HydrophobicContact CD1-CG2 3.8Å; T302-V314 CarbonylContact C-O 3.54Å; T302-V314 WeakPolarHBondContact CA-O 3.21Å; L303-V314 PolarHBondContact N-O 3.35Å; L303-V314 PolarHBondContact O-N 3.23Å; I305-V314 HydrophobicContact CD1-CB 4.27Å; I305-V314 HydrophobicContact CD1-CG2 3.71Å; I305-V314 HydrophobicContact CG1-CG2 4.35Å; V312-V314 HydrophobicContact CG1-CG2 4.18Å; V314-F316 HydrophobicContact CG1-CE1 4.26Å; V314-F316 HydrophobicContact CG1-CE2 4.19Å; V314-F316 HydrophobicContact CG1-CZ 3.99Å
315T89.9Confident86.5Confident74 Ų7480.4 Ų80.445%0.45441%0.413SS..EExtended strand (participates in β ladder)trans-88.2121.7174.1-57.20000110.1T302T302-T315 PolarHBondContact OG1-OG1 2.93Å
316F86.9Confident86.6Confident30 Ų3083.4 Ų83.413%0.13242%0.422CS..  trans-84.3136.6178.4-66.4-84.6000110.6V291 V293 I297 G300 Q301 L303 V314V291-F316 HydrophobicContact CG1-CE1 4.5Å; V291-F316 HydrophobicContact CG1-CZ 3.79Å; V293-F316 HydrophobicContact CB-CE1 4.32Å; V293-F316 HydrophobicContact CG1-CD1 4.28Å; V293-F316 HydrophobicContact CG1-CE1 4.04Å; V293-F316 HydrophobicContact CG1-CZ 4.45Å; V293-F316 HydrophobicContact CG2-CD1 4.34Å; V293-F316 HydrophobicContact CG2-CE1 3.48Å; V293-F316 VanDerWaalsContact CG2-CE1 3.48Å; V293-F316 HydrophobicContact CG2-CZ 3.95Å; I297-F316 HydrophobicContact CD1-CB 3.93Å; I297-F316 HydrophobicContact CD1-CD1 4.22Å; I297-F316 HydrophobicContact CD1-CD2 3.13Å; I297-F316 HydrophobicContact CD1-CE2 3.55Å; I297-F316 HydrophobicContact CD1-CG 3.48Å; I297-F316 VanDerWaalsContact CD1-CG 3.48Å; I297-F316 HydrophobicContact CD1-CZ 4.26Å; I297-F316 HydrophobicContact CG1-CB 4.33Å; I297-F316 HydrophobicContact CG1-CD2 4.3Å; I297-F316 HydrophobicContact CG1-CG 4.38Å; G300-F316 VanDerWaalsContact CA-O 3.27Å; G300-F316 WeakPolarHBondContact CA-O 3.4Å; G300-F316 PolarHBondContact N-O 2.7Å; Q301-F316 WeakPolarHBondContact O-CD2 3.15Å; Q301-F316 PolarHBondContact O-N 3.28Å; L303-F316 HydrophobicContact CB-CE2 3.71Å; L303-F316 HydrophobicContact CD2-CE2 4.3Å; L303-F316 HydrophobicContact CD2-CZ 4.49Å; V314-F316 HydrophobicContact CG1-CE1 4.26Å; V314-F316 HydrophobicContact CG1-CE2 4.19Å; V314-F316 HydrophobicContact CG1-CZ 3.99Å
317K86.8Confident86.7Confident168 Ų16881.8 Ų81.873%0.7342%0.419SS*.  trans-118126.8169.6-70.2-173.8176.2178.90109D299D299-K317 VanDerWaalsContact OD1-CA 3.25Å; D299-K317 WeakPolarHBondContact OD1-CA 3.37Å
318V83.8Confident86.9Confident50 Ų5083.3 Ų83.330%0.30344%0.435SS..PPolyproline II helixtrans-97.7118.4-178.4-178.10000108.9D299D299-V318 HydrophobicContact CB-CB 4.18Å; D299-V318 HydrophobicContact CB-CG2 4.28Å; D299-V318 PolarHBondContact OD1-N 2.68Å
319S82.6Confident87.3Confident51 Ų5181.6 Ų81.636%0.35742%0.416SS..PPolyproline II helixtrans-64.8145.3175.6-53.60000111.6
320K85.7Confident87.9Confident203 Ų20375 Ų7588%0.88339%0.39SS*.PPolyproline II helixtrans-73.9124.7178.5-69.3-176.7179.1-179.60111.4
321S84.6Confident88.4Confident31 Ų3172.5 Ų72.522%0.21738%0.379CS..PPolyproline II helixtrans-78.7143.8176.8-166.10000114.9E202 T323 F324E202-S321 WeakPolarHBondContact OE1-CA 3.25Å; E202-S321 PolarHBondContact OE1-N 3.13Å; E202-S321 WeakPolarHBondContact OE2-CA 3.42Å; E202-S321 WeakPolarHBondContact OE2-CB 3.48Å; E202-S321 PolarHBondContact OE2-OG 2.83Å; S321-T323 VanDerWaalsContact C-N 3.33Å; S321-T323 PolarHBondContact OG-N 2.95Å; S321-F324 VanDerWaalsContact CB-O 3.31Å; S321-F324 WeakPolarHBondContact CB-O 3.41Å; S321-F324 PolarHBondContact OG-N 2.99Å
322S86.1Confident88.8Confident119 Ų11969.6 Ų69.683%0.83237%0.365SS*.SBendtrans-72.3-28170.461.70000112.5
323T87.6Confident89.2Confident63 Ų6368.5 Ų68.539%0.38736%0.359SS..SBendtrans-102.8-35-174.4-53.10000112.1S321S321-T323 VanDerWaalsContact C-N 3.33Å; S321-T323 PolarHBondContact OG-N 2.95Å
324F92.3Very high89.4Confident32 Ų3266.5 Ų66.514%0.1435%0.354CS..EExtended strand (participates in β ladder)trans-117.1136.6-172.1-58.9-69.8000112L203 S321 V331 H332 K351 V353L203-F324 HydrophobicContact CD2-CE2 4.35Å; S321-F324 VanDerWaalsContact CB-O 3.31Å; S321-F324 WeakPolarHBondContact CB-O 3.41Å; S321-F324 PolarHBondContact OG-N 2.99Å; F324-V331 HydrophobicContact CB-CG1 3.9Å; F324-V331 HydrophobicContact CD1-CG1 3.59Å; F324-V331 HydrophobicContact CE1-CG1 4.49Å; F324-V331 HydrophobicContact CG-CG1 4.07Å; F324-H332 CarbonylContact C-O 3.59Å; F324-H332 WeakPolarHBondContact CA-O 3.5Å; F324-K351 VanDerWaalsContact CE1-O 3.29Å; F324-K351 WeakPolarHBondContact CE1-O 3.35Å; F324-K351 HydrophobicContact CZ-CB 4.21Å; F324-K351 VanDerWaalsContact CZ-O 3.32Å; F324-K351 WeakPolarHBondContact CZ-O 3.43Å; F324-V353 HydrophobicContact CE1-CG2 4.46Å
325R91.9Very high89.7Confident123 Ų12366.2 Ų66.246%0.46435%0.353SS..EExtended strand (participates in β ladder)trans-110125.3166.4-64.8-175.9-67.3-92.40.9107.8H332 D334R325-H332 HydrophobicContact CB-CB 4.2Å; R325-H332 PolarHBondContact N-O 3.42Å; R325-H332 PolarHBondContact O-N 2.95Å; R325-D334 IonicContact CZ-OD1 3.88Å; R325-D334 IonicContact CZ-OD2 2.96Å; R325-D334 IonicContact NH1-OD1 3.86Å; R325-D334 IonicContact NH1-OD2 3.75Å; R325-D334 PolarHBondContact NH1-OD2 3.43Å; R325-D334 VanDerWaalsContact NH2-CG 3.33Å; R325-D334 IonicContact NH2-OD1 2.93Å; R325-D334 PolarHBondContact NH2-OD1 3.45Å; R325-D334 IonicContact NH2-OD2 2.72Å; R325-D334 PolarHBondContact NH2-OD2 3.34Å
326R89.5Confident90Very high91 Ų9166.9 Ų66.934%0.34336%0.356SS..EExtended strand (participates in β ladder)trans-91.4133.7-179.8-178.7175.7176.61510.7110G296 I297 G328 L378G296-R326 PolarHBondContact O-NH1 2.97Å; G296-R326 PolarHBondContact O-NH2 3.42Å; I297-R326 PolarHBondContact O-NH1 2.96Å; R326-G328 VanDerWaalsContact CZ-O 3.28Å; R326-G328 PolarHBondContact NE-O 3.06Å; R326-G328 PolarHBondContact NH2-O 2.99Å; R326-G328 VanDerWaalsContact NH2-O 3.07Å; R326-L378 HydrophobicContact CG-CD1 3.81Å
327D90.6Very high90.4Very high107 Ų10765.5 Ų65.557%0.57235%0.351SS*.EExtended strand (participates in β ladder)trans-130.598.7169.1-171.47.2000108.7A329 D330D327-A329 PolarHBondContact O-N 3.35Å; D327-A329 VanDerWaalsContact O-N 3.16Å; D327-D330 PolarHBondContact N-O 3.08Å; D327-D330 WeakPolarHBondContact O-CA 3.43Å; D327-D330 WeakPolarHBondContact O-CB 3.41Å; D327-D330 PolarHBondContact O-N 3.07Å; D327-D330 VanDerWaalsContact O-O 3.12Å
328G89.6Confident90.8Very high39 Ų3959.8 Ų59.840%0.40233%0.332SS..THydrogen-bonded Turntrans59.6-118-172.900000112.6R326R326-G328 VanDerWaalsContact CZ-O 3.28Å; R326-G328 PolarHBondContact NE-O 3.06Å; R326-G328 PolarHBondContact NH2-O 2.99Å; R326-G328 VanDerWaalsContact NH2-O 3.07Å
329A90.4Very high91.3Very high22 Ų2260.5 Ų60.518%0.18233%0.333CS..THydrogen-bonded Turntrans-91.5-13.1173.200000113.1D327 L378 K380D327-A329 PolarHBondContact O-N 3.35Å; D327-A329 VanDerWaalsContact O-N 3.16Å; A329-L378 WeakPolarHBondContact O-CB 3.12Å; A329-L378 PolarHBondContact O-N 3.36Å; A329-K380 HydrophobicContact CB-CD 4.47Å; A329-K380 HydrophobicContact CB-CG 3.66Å
330D93.5Very high91.9Very high47 Ų4761.9 Ų61.925%0.25134%0.343SS..EExtended strand (participates in β ladder)trans-87.1151.9-178.3-60.2-22.2000110.1D327 G387 D388 Y390D327-D330 PolarHBondContact N-O 3.08Å; D327-D330 WeakPolarHBondContact O-CA 3.43Å; D327-D330 WeakPolarHBondContact O-CB 3.41Å; D327-D330 PolarHBondContact O-N 3.07Å; D327-D330 VanDerWaalsContact O-O 3.12Å; D330-G387 WeakPolarHBondContact OD1-CA 3.26Å; D330-D388 VanDerWaalsContact CA-O 3.26Å; D330-D388 WeakPolarHBondContact CA-O 3.31Å; D330-D388 WeakPolarHBondContact CB-O 3.43Å; D330-D388 PolarHBondContact OD1-N 3.47Å; D330-Y390 HydrophobicContact CB-CD2 4.18Å; D330-Y390 HydrophobicContact CB-CE2 3.98Å
331V93.3Very high92.3Very high3 Ų354.9 Ų54.92%0.01831%0.314CS..EExtended strand (participates in β ladder)trans-125138-178.4179.80000109.7F324 V353 L378 D388 H389 Y390F324-V331 HydrophobicContact CB-CG1 3.9Å; F324-V331 HydrophobicContact CD1-CG1 3.59Å; F324-V331 HydrophobicContact CE1-CG1 4.49Å; F324-V331 HydrophobicContact CG-CG1 4.07Å; V331-V353 HydrophobicContact CB-CG2 4.16Å; V331-V353 HydrophobicContact CG1-CG2 3.95Å; V331-V353 HydrophobicContact CG2-CG2 3.92Å; V331-L378 HydrophobicContact CG2-CD1 3.56Å; V331-L378 HydrophobicContact CG2-CG 3.62Å; V331-D388 PolarHBondContact N-O 3.06Å; V331-H389 CarbonylContact O-C 3.56Å; V331-H389 WeakPolarHBondContact O-CA 3.5Å; V331-H389 PolarHBondContact O-CD2 3.38Å; V331-H389 VanDerWaalsContact O-CD2 3.3Å; V331-Y390 PolarHBondContact O-N 2.86Å
332H95.2Very high92.8Very high26 Ų2653.6 Ų53.612%0.1230%0.304CS..EExtended strand (participates in β ladder)trans-113134.6175.2-65.8-86.4000110.5F324 R325 Y390 H392F324-H332 CarbonylContact C-O 3.59Å; F324-H332 WeakPolarHBondContact CA-O 3.5Å; R325-H332 HydrophobicContact CB-CB 4.2Å; R325-H332 PolarHBondContact N-O 3.42Å; R325-H332 PolarHBondContact O-N 2.95Å; H332-Y390 VanDerWaalsContact CA-O 3.28Å; H332-Y390 WeakPolarHBondContact CA-O 3.37Å; H332-Y390 AromaticContact CE1-CD2 3.56Å; H332-Y390 AromaticContact CE1-CG 3.69Å; H332-Y390 VanDerWaalsContact ND1-CB 3.28Å; H332-Y390 WeakPolarHBondContact ND1-CB 3.35Å; H332-Y390 AromaticContact ND1-CG 4Å; H332-Y390 AromaticContact NE2-CD2 3.98Å; H332-H392 AromaticContact CE1-NE2 3.98Å; H332-H392 AromaticContact CG-NE2 3.62Å; H332-H392 AromaticContact ND1-CD2 3.87Å; H332-H392 AromaticContact ND1-CE1 3.83Å; H332-H392 AromaticContact ND1-NE2 2.96Å; H332-H392 PolarHBondContact ND1-NE2 3.48Å
333S94.8Very high93.2Very high4 Ų451.1 Ų51.13%0.02828%0.284CS..EExtended strand (participates in β ladder)trans-134.5152.8170.565.50000110.9H389 Y390 V391 H392S333-H389 WeakPolarHBondContact CB-NE2 3.36Å; S333-H389 PolarHBondContact OG-NE2 2.7Å; S333-Y390 PolarHBondContact N-O 3.37Å; S333-Y390 VanDerWaalsContact N-O 3.07Å; S333-V391 WeakPolarHBondContact O-CA 3.36Å; S333-H392 PolarHBondContact O-N 3.39Å
334D94.8Very high93.6Very high91 Ų9154.8 Ų54.849%0.48730%0.301SS..EExtended strand (participates in β ladder)trans-99.8135.3174-57.8-37.9000110.3R325 H392R325-D334 IonicContact CZ-OD1 3.88Å; R325-D334 IonicContact CZ-OD2 2.96Å; R325-D334 IonicContact NH1-OD1 3.86Å; R325-D334 IonicContact NH1-OD2 3.75Å; R325-D334 PolarHBondContact NH1-OD2 3.43Å; R325-D334 VanDerWaalsContact NH2-CG 3.33Å; R325-D334 IonicContact NH2-OD1 2.93Å; R325-D334 PolarHBondContact NH2-OD1 3.45Å; R325-D334 IonicContact NH2-OD2 2.72Å; R325-D334 PolarHBondContact NH2-OD2 3.34Å; D334-H392 WeakPolarHBondContact CA-O 3.42Å; D334-H392 WeakPolarHBondContact OD1-CB 3.4Å; D334-H392 IonicContact OD1-CD2 3.94Å; D334-H392 IonicContact OD1-CG 3.2Å
335V95Very high93.8Very high17 Ų1754 Ų5410%0.10330%0.302CS..EExtended strand (participates in β ladder)trans-128.2128.9178.11690000109.6I337 V348 I350 V391 H392 V393 K394V335-I337 HydrophobicContact CG1-CG2 3.84Å; V335-V348 HydrophobicContact CG1-CG1 3.94Å; V335-I350 HydrophobicContact CB-CG2 4.39Å; V335-I350 HydrophobicContact CG1-CG2 4.03Å; V335-I350 HydrophobicContact CG2-CB 4.1Å; V335-I350 HydrophobicContact CG2-CG2 3.47Å; V335-I350 VanDerWaalsContact CG2-CG2 3.47Å; V335-V391 HydrophobicContact CB-CG1 3.73Å; V335-V391 HydrophobicContact CG2-CG1 3.46Å; V335-V391 VanDerWaalsContact CG2-CG1 3.46Å; V335-H392 PolarHBondContact N-O 3.32Å; V335-V393 CarbonylContact O-C 3.48Å; V335-K394 PolarHBondContact O-N 3Å
336T95.1Very high93.9Very high87 Ų8749.6 Ų49.653%0.53430%0.295SS..EExtended strand (participates in β ladder)trans-92.9124.2174.9520000110.5K394T336-K394 CarbonylContact C-O 3.6Å; T336-K394 VanDerWaalsContact CA-O 3.23Å; T336-K394 WeakPolarHBondContact CA-O 3.25Å; T336-K394 HydrophobicContact CG2-CB 4.42Å
337I95.9Very high94.2Very high2 Ų249.3 Ų49.31%0.0130%0.303CS..EExtended strand (participates in β ladder)trans-118.1153-179.771.1166.9000110.1V335 Q341 A342 V348 I361 V393 K394 I395 Q396V335-I337 HydrophobicContact CG1-CG2 3.84Å; I337-Q341 HydrophobicContact CB-CB 4.48Å; I337-A342 HydrophobicContact CD1-CB 3.69Å; I337-A342 HydrophobicContact CG1-CB 4.34Å; I337-V348 HydrophobicContact CG2-CG2 4.28Å; I337-I361 HydrophobicContact CB-CD1 4.02Å; I337-I361 HydrophobicContact CD1-CD1 4.11Å; I337-I361 HydrophobicContact CD1-CG2 4.05Å; I337-I361 HydrophobicContact CG2-CD1 3.48Å; I337-I361 VanDerWaalsContact CG2-CD1 3.48Å; I337-V393 HydrophobicContact CB-CG1 4.48Å; I337-V393 HydrophobicContact CD1-CG1 3.3Å; I337-V393 HydrophobicContact CG1-CG1 3.57Å; I337-V393 HydrophobicContact CG2-CG1 4.09Å; I337-K394 PolarHBondContact N-O 3.38Å; I337-I395 HydrophobicContact CD1-CG1 4.47Å; I337-I395 HydrophobicContact CG1-CG1 4.25Å; I337-Q396 PolarHBondContact O-N 2.94Å
338S95.1Very high94.4Very high47 Ų4745.2 Ų45.233%0.32928%0.282SS..EExtended strand (participates in β ladder)trans-74.6159.1177.6760000111.9S340 Q341 A342S338-S340 VanDerWaalsContact C-N 3.29Å; S338-S340 PolarHBondContact O-N 3.37Å; S338-Q341 PolarHBondContact O-N 2.68Å; S338-Q341 WeakPolarHBondContact OG-CB 3.31Å; S338-Q341 VanDerWaalsContact OG-CG 3.28Å; S338-Q341 WeakPolarHBondContact OG-CG 3.31Å; S338-Q341 PolarHBondContact OG-N 3Å; S338-Q341 VanDerWaalsContact OG-N 3.17Å; S338-Q341 PolarHBondContact OG-OE1 3.48Å; S338-A342 PolarHBondContact O-N 3.01Å
339L94.2Very high94.6Very high65 Ų6552.7 Ų52.734%0.3430%0.298SS..Hα-helixtrans-55.3-44.8174.8-178.866000111.6Q341 A342 V343 I395 L409L339-Q341 PolarHBondContact O-N 2.89Å; L339-A342 WeakPolarHBondContact O-CB 3.45Å; L339-A342 PolarHBondContact O-N 3.5Å; L339-V343 HydrophobicContact CD1-CG2 4.49Å; L339-V343 WeakPolarHBondContact O-CG2 3.38Å; L339-V343 PolarHBondContact O-N 2.8Å; L339-V343 VanDerWaalsContact O-N 3.08Å; L339-I395 HydrophobicContact CD1-CG2 4.32Å; L339-L409 HydrophobicContact CD2-CD2 4.05Å
340S94.2Very high94.8Very high80 Ų8052 Ų5256%0.55929%0.291SS*.Hα-helixtrans-64.2-39.9178.9-50.10000112.3S338 A342 V343 L344S338-S340 VanDerWaalsContact C-N 3.29Å; S338-S340 PolarHBondContact O-N 3.37Å; S340-A342 VanDerWaalsContact C-N 3.33Å; S340-V343 PolarHBondContact O-N 3.07Å; S340-L344 WeakPolarHBondContact O-CB 3.41Å; S340-L344 PolarHBondContact O-N 3.01Å
341Q94.7Very high94.7Very high57 Ų5756.4 Ų56.427%0.26631%0.308SS..Hα-helixtrans-66.4-34.5175.6-76.2172.4-33.200112.4I337 S338 L339 G345I337-Q341 HydrophobicContact CB-CB 4.48Å; S338-Q341 PolarHBondContact O-N 2.68Å; S338-Q341 WeakPolarHBondContact OG-CB 3.31Å; S338-Q341 VanDerWaalsContact OG-CG 3.28Å; S338-Q341 WeakPolarHBondContact OG-CG 3.31Å; S338-Q341 PolarHBondContact OG-N 3Å; S338-Q341 VanDerWaalsContact OG-N 3.17Å; S338-Q341 PolarHBondContact OG-OE1 3.48Å; L339-Q341 PolarHBondContact O-N 2.89Å; Q341-G345 CarbonylContact O-C 3.6Å; Q341-G345 WeakPolarHBondContact O-CA 3.27Å; Q341-G345 PolarHBondContact O-N 3.35Å
342A95.4Very high94.5Very high3 Ų356.6 Ų56.63%0.02531%0.311CS..Hα-helixtrans-67.5-42.6176.700000111.8I337 S338 L339 S340 G364 T365 I395I337-A342 HydrophobicContact CD1-CB 3.69Å; I337-A342 HydrophobicContact CG1-CB 4.34Å; S338-A342 PolarHBondContact O-N 3.01Å; L339-A342 WeakPolarHBondContact O-CB 3.45Å; L339-A342 PolarHBondContact O-N 3.5Å; S340-A342 VanDerWaalsContact C-N 3.33Å; A342-G364 CarbonylContact O-C 3.57Å; A342-G364 WeakPolarHBondContact O-CA 3.28Å; A342-G364 PolarHBondContact O-N 3.06Å; A342-T365 PolarHBondContact O-N 2.64Å; A342-I395 HydrophobicContact CB-CD1 3.59Å; A342-I395 HydrophobicContact CB-CG1 3.84Å; A342-I395 HydrophobicContact CB-CG2 4.43Å
343V94.9Very high94.2Very high68 Ų6855.8 Ų55.841%0.41231%0.307SS..Hα-helixtrans-77.5-54.3-177.5176.40000111.6L339 S340 P363 G364L339-V343 HydrophobicContact CD1-CG2 4.49Å; L339-V343 WeakPolarHBondContact O-CG2 3.38Å; L339-V343 PolarHBondContact O-N 2.8Å; L339-V343 VanDerWaalsContact O-N 3.08Å; S340-V343 PolarHBondContact O-N 3.07Å; V343-P363 WeakPolarHBondContact O-CA 3.05Å; V343-G364 PolarHBondContact O-N 3.14Å; V343-G364 VanDerWaalsContact O-N 3.09Å
344L95.8Very high93.7Very high139 Ų13958.7 Ų58.773%0.72832%0.32SS*.Hα-helixtrans-86.7-13.4-172.9-58175.4000113.2S340S340-L344 WeakPolarHBondContact O-CB 3.41Å; S340-L344 PolarHBondContact O-N 3.01Å
345G95.6Very high93.4Very high16 Ų1659.6 Ų59.617%0.16532%0.322CS..  trans80.3-179.6-167.700000112.3Q341 I361Q341-G345 CarbonylContact O-C 3.6Å; Q341-G345 WeakPolarHBondContact O-CA 3.27Å; Q341-G345 PolarHBondContact O-N 3.35Å; G345-I361 WeakPolarHBondContact CA-O 3.19Å
346G94.7Very high93.3Very high30 Ų3063.3 Ų63.331%0.30934%0.341SS..EExtended strand (participates in β ladder)trans154.9-166.817600000112.7I361G346-I361 PolarHBondContact N-O 2.8Å; G346-I361 PolarHBondContact O-N 2.58Å
347T95.3Very high93.1Very high85 Ų8560.1 Ų60.152%0.52132%0.321SS..EExtended strand (participates in β ladder)trans-115.1134.7179.550.70000111.5L359 Q360T347-L359 WeakPolarHBondContact CA-O 3.28Å; T347-Q360 VanDerWaalsContact CG2-CD 3.43Å; T347-Q360 VanDerWaalsContact CG2-NE2 3.27Å
348V95.1Very high93.1Very high22 Ų2263.1 Ų63.113%0.13335%0.347CS..EExtended strand (participates in β ladder)trans-126.9133.5171.1172.10000109.7V335 I337 I350 L359 I361V335-V348 HydrophobicContact CG1-CG1 3.94Å; I337-V348 HydrophobicContact CG2-CG2 4.28Å; V348-I350 HydrophobicContact CG1-CG2 4.06Å; V348-L359 PolarHBondContact N-O 3.2Å; V348-L359 WeakPolarHBondContact O-CB 3.38Å; V348-L359 PolarHBondContact O-N 3.43Å; V348-I361 HydrophobicContact CB-CD1 4Å; V348-I361 HydrophobicContact CG2-CD1 3.44Å; V348-I361 VanDerWaalsContact CG2-CD1 3.44Å
349R94.7Very high93Very high195 Ų19561.2 Ų61.274%0.73633%0.333SS*.EExtended strand (participates in β ladder)trans-82.5124.8172.9-67.3-172.566.8178.3-1.6109.5D356R349-D356 IonicContact NH2-OD2 3.88Å
350I93.5Very high93.1Very high8 Ų864.3 Ų64.34%0.04135%0.345CS..EExtended strand (participates in β ladder)trans-119.7148.5-179.670.2167.6000109.4V335 V348 G352 D356 V357 L359 L373 V391V335-I350 HydrophobicContact CB-CG2 4.39Å; V335-I350 HydrophobicContact CG1-CG2 4.03Å; V335-I350 HydrophobicContact CG2-CB 4.1Å; V335-I350 HydrophobicContact CG2-CG2 3.47Å; V335-I350 VanDerWaalsContact CG2-CG2 3.47Å; V348-I350 HydrophobicContact CG1-CG2 4.06Å; I350-G352 PolarHBondContact O-N 2.8Å; I350-D356 WeakPolarHBondContact O-CA 3.25Å; I350-V357 HydrophobicContact CG1-CB 4.15Å; I350-V357 WeakPolarHBondContact CG1-O 3.34Å; I350-V357 PolarHBondContact N-O 2.92Å; I350-V357 PolarHBondContact O-N 3.22Å; I350-L359 HydrophobicContact CD1-CB 4.25Å; I350-L359 HydrophobicContact CD1-CD2 4.41Å; I350-L359 HydrophobicContact CG1-CB 4.38Å; I350-L359 HydrophobicContact CG2-CB 4.1Å; I350-L359 HydrophobicContact CG2-CD2 4.26Å; I350-L373 HydrophobicContact CD1-CD1 3.65Å; I350-V391 HydrophobicContact CD1-CG2 3.45Å; I350-V391 VanDerWaalsContact CD1-CG2 3.45Å
351K91.7Very high93.2Very high140 Ų14060.7 Ų60.761%0.60932%0.32SS*.EExtended strand (participates in β ladder)trans-75.5117.1172.7-66.4-175.7178.4179.60108.7F324F324-K351 VanDerWaalsContact CE1-O 3.29Å; F324-K351 WeakPolarHBondContact CE1-O 3.35Å; F324-K351 HydrophobicContact CZ-CB 4.21Å; F324-K351 VanDerWaalsContact CZ-O 3.32Å; F324-K351 WeakPolarHBondContact CZ-O 3.43Å
352G89.5Confident93.2Very high7 Ų761.1 Ų61.17%0.07233%0.328CS..  trans-90173.9168.200000111.3I350 E355I350-G352 PolarHBondContact O-N 2.8Å; G352-E355 CarbonylContact C-O 3.52Å; G352-E355 WeakPolarHBondContact CA-O 3.26Å; G352-E355 PolarHBondContact N-O 2.75Å
353V87.9Confident93.3Very high8 Ų865.6 Ų65.65%0.04836%0.357CS..SBendtrans-69.6-38.5-178.7177.20000111.9A206 F324 V331 L378A206-V353 HydrophobicContact CB-CG1 3.21Å; F324-V353 HydrophobicContact CE1-CG2 4.46Å; V331-V353 HydrophobicContact CB-CG2 4.16Å; V331-V353 HydrophobicContact CG1-CG2 3.95Å; V331-V353 HydrophobicContact CG2-CG2 3.92Å; V353-L378 HydrophobicContact CG1-CD2 3.79Å
354H85.3Confident93.2Very high65 Ų6565.6 Ų65.630%0.30137%0.37SS..SBendtrans-100-44.4-178.2-66.3-70000112.6K207 Y386K207-H354 VanDerWaalsContact CE-O 3.24Å; K207-H354 WeakPolarHBondContact CE-O 2.89Å; K207-H354 PolarHBondContact NZ-O 3.05Å; H354-Y386 AromaticContact NE2-CE1 3.73Å
355E88.3Confident93.2Very high111 Ų11159.6 Ų59.652%0.51934%0.339SS..SBendtrans-145.8161.6-175.164.6-172.817600109.7G352 V357 K376G352-E355 CarbonylContact C-O 3.52Å; G352-E355 WeakPolarHBondContact CA-O 3.26Å; G352-E355 PolarHBondContact N-O 2.75Å; E355-V357 HydrophobicContact CG-CG2 4.42Å; E355-K376 IonicContact OE1-NZ 3.51Å; E355-K376 PolarHBondContact OE1-NZ 3.2Å
356D91.6Very high93.1Very high94 Ų9461.6 Ų61.650%0.50335%0.354SS..EExtended strand (participates in β ladder)trans-72.1135.3170.8-68.7-17000109.9R349 I350R349-D356 IonicContact NH2-OD2 3.88Å; I350-D356 WeakPolarHBondContact O-CA 3.25Å
357V92.8Very high93.1Very high20 Ų2062.4 Ų62.412%0.12136%0.355CS..EExtended strand (participates in β ladder)trans-113.9136.2-177.6-176.70000109.6I350 E355 L359 L373 K376I350-V357 HydrophobicContact CG1-CB 4.15Å; I350-V357 WeakPolarHBondContact CG1-O 3.34Å; I350-V357 PolarHBondContact N-O 2.92Å; I350-V357 PolarHBondContact O-N 3.22Å; E355-V357 HydrophobicContact CG-CG2 4.42Å; V357-L359 PolarHBondContact O-N 2.91Å; V357-L373 HydrophobicContact CB-CD1 4.49Å; V357-L373 HydrophobicContact CG1-CD1 4.05Å; V357-K376 HydrophobicContact CG2-CD 4.45Å
358A94Very high93Very high66 Ų6665 Ų6555%0.54536%0.361SS..EExtended strand (participates in β ladder)trans-83.4107.8168.900000109
359L94.6Very high93Very high7 Ų765.7 Ų65.74%0.03737%0.367CS..EExtended strand (participates in β ladder)trans-86.4122.2177.4-18066.4000109.7T347 V348 I350 V357 L371 L373 V391T347-L359 WeakPolarHBondContact CA-O 3.28Å; V348-L359 PolarHBondContact N-O 3.2Å; V348-L359 WeakPolarHBondContact O-CB 3.38Å; V348-L359 PolarHBondContact O-N 3.43Å; I350-L359 HydrophobicContact CD1-CB 4.25Å; I350-L359 HydrophobicContact CD1-CD2 4.41Å; I350-L359 HydrophobicContact CG1-CB 4.38Å; I350-L359 HydrophobicContact CG2-CB 4.1Å; I350-L359 HydrophobicContact CG2-CD2 4.26Å; V357-L359 PolarHBondContact O-N 2.91Å; L359-L371 HydrophobicContact CD1-CB 4.3Å; L359-L371 HydrophobicContact CD1-CD1 4.2Å; L359-L371 HydrophobicContact CD2-CD1 4.06Å; L359-L371 HydrophobicContact CG-CD1 4.31Å; L359-L373 HydrophobicContact CD1-CD1 4.38Å; L359-L373 HydrophobicContact CD1-CD2 3.83Å; L359-L373 HydrophobicContact CD1-CG 4.28Å; L359-V391 HydrophobicContact CD2-CB 4.15Å; L359-V391 HydrophobicContact CD2-CG1 3.8Å; L359-V391 HydrophobicContact CD2-CG2 4.29Å
360Q95Very high93.1Very high129 Ų12964.8 Ų64.860%0.60336%0.364SS*.EExtended strand (participates in β ladder)trans-80.9123169.1-63-67.4-10.900108.8T347 P362T347-Q360 VanDerWaalsContact CG2-CD 3.43Å; T347-Q360 VanDerWaalsContact CG2-NE2 3.27Å; Q360-P362 WeakPolarHBondContact O-CD 3.42Å
361I95.9Very high93.2Very high5 Ų566 Ų663%0.02637%0.37CS..EExtended strand (participates in β ladder)trans-98.6114.3176.6-60.4167.7000107.2I337 G345 G346 V348 T365I337-I361 HydrophobicContact CB-CD1 4.02Å; I337-I361 HydrophobicContact CD1-CD1 4.11Å; I337-I361 HydrophobicContact CD1-CG2 4.05Å; I337-I361 HydrophobicContact CG2-CD1 3.48Å; I337-I361 VanDerWaalsContact CG2-CD1 3.48Å; G345-I361 WeakPolarHBondContact CA-O 3.19Å; G346-I361 PolarHBondContact N-O 2.8Å; G346-I361 PolarHBondContact O-N 2.58Å; V348-I361 HydrophobicContact CB-CD1 4Å; V348-I361 HydrophobicContact CG2-CD1 3.44Å; V348-I361 VanDerWaalsContact CG2-CD1 3.44Å; I361-T365 HydrophobicContact CG2-CG2 4.26Å; I361-T365 WeakPolarHBondContact CG2-OG1 3.46Å
362P96.3Very high93.4Very high66 Ų6666.8 Ų66.843%0.42937%0.369SS..  trans-61.6148.3173.3-2233.8000111.6Q360 T365Q360-P362 WeakPolarHBondContact O-CD 3.42Å; P362-T365 PolarHBondContact O-N 2.64Å; P362-T365 PolarHBondContact O-OG1 3.37Å
363P96Very high93.6Very high97 Ų9768 Ų6863%0.6337%0.374SS*.THydrogen-bonded Turntrans-59.3145.4170.526.9-34.3000110.7V343V343-P363 WeakPolarHBondContact O-CA 3.05Å
364G93.9Very high93.9Very high67 Ų6770.9 Ų70.969%0.69140%0.399SS*.THydrogen-bonded Turntrans73.224.6-17700000114.9A342 V343 A366A342-G364 CarbonylContact O-C 3.57Å; A342-G364 WeakPolarHBondContact O-CA 3.28Å; A342-G364 PolarHBondContact O-N 3.06Å; V343-G364 PolarHBondContact O-N 3.14Å; V343-G364 VanDerWaalsContact O-N 3.09Å; G364-A366 PolarHBondContact O-N 3.01Å
365T95.3Very high94.3Very high13 Ų1369.6 Ų69.68%0.0840%0.402CS..  trans-72.8114.9177.5-65.30000110.7A342 I361 P362 V393A342-T365 PolarHBondContact O-N 2.64Å; I361-T365 HydrophobicContact CG2-CG2 4.26Å; I361-T365 WeakPolarHBondContact CG2-OG1 3.46Å; P362-T365 PolarHBondContact O-N 2.64Å; P362-T365 PolarHBondContact O-OG1 3.37Å; T365-V393 HydrophobicContact CG2-CB 4.36Å; T365-V393 HydrophobicContact CG2-CG1 4.05Å; T365-V393 HydrophobicContact CG2-CG2 4.27Å
366A94.1Very high94.5Very high58 Ų5868.1 Ų68.148%0.47939%0.394SS..  trans-73.9158.6178.300000112.9G364 S369G364-A366 PolarHBondContact O-N 3.01Å; A366-S369 PolarHBondContact N-OG 3.47Å; A366-S369 VanDerWaalsContact O-CB 3.23Å; A366-S369 WeakPolarHBondContact O-CB 3.34Å; A366-S369 PolarHBondContact O-N 2.69Å; A366-S369 PolarHBondContact O-OG 3.15Å
367S93.7Very high94.5Very high48 Ų4863.6 Ų63.634%0.33637%0.37SS..THydrogen-bonded Turntrans-65.2142.5171.5-159.60000110.8S369 I395S367-S369 PolarHBondContact O-N 3.18Å; S367-I395 PolarHBondContact OG-N 3.29Å
368H94.4Very high94.4Very high139 Ų13963.3 Ų63.364%0.64437%0.368SS*.THydrogen-bonded Turntrans66.710.1-172.2-48.484.9000115.5V393H368-V393 VanDerWaalsContact CA-O 3.24Å; H368-V393 WeakPolarHBondContact CA-O 3.46Å; H368-V393 PolarHBondContact N-O 2.72Å
369S95.4Very high94.2Very high37 Ų3764.6 Ų64.626%0.25936%0.361SS..  trans-60.8141.1169-600000110.5A366 S367 V393A366-S369 PolarHBondContact N-OG 3.47Å; A366-S369 VanDerWaalsContact O-CB 3.23Å; A366-S369 WeakPolarHBondContact O-CB 3.34Å; A366-S369 PolarHBondContact O-N 2.69Å; A366-S369 PolarHBondContact O-OG 3.15Å; S367-S369 PolarHBondContact O-N 3.18Å; S369-V393 PolarHBondContact O-N 3.02Å
370R95.7Very high94Very high176 Ų17668.3 Ų68.366%0.66438%0.377SS*.EExtended strand (participates in β ladder)trans-104.6112.7177.9-62-175-172.3-1762.4109.5V391 H392R370-V391 WeakPolarHBondContact CA-O 3.35Å; R370-H392 PolarHBondContact NE-CE1 3.26Å; R370-H392 VanDerWaalsContact NE-CE1 3.31Å
371L95.5Very high93.4Very high34 Ų3464.5 Ų64.518%0.17836%0.362CS..EExtended strand (participates in β ladder)trans-97129.4174-61.5177.7000109L359 V391 V393L359-L371 HydrophobicContact CD1-CB 4.3Å; L359-L371 HydrophobicContact CD1-CD1 4.2Å; L359-L371 HydrophobicContact CD2-CD1 4.06Å; L359-L371 HydrophobicContact CG-CD1 4.31Å; L371-V391 PolarHBondContact N-O 3.28Å; L371-V391 PolarHBondContact O-N 3.2Å; L371-V393 HydrophobicContact CD1-CG2 3.84Å; L371-V393 HydrophobicContact CG-CG2 4.11Å
372R95.9Very high92.8Very high156 Ų15671.7 Ų71.759%0.58940%0.401SS*.EExtended strand (participates in β ladder)trans-100126.6-177.4-174.6179.675.2140-9.8110.7D388 Y390R372-D388 WeakPolarHBondContact CD-OD2 3.41Å; R372-D388 HydrophobicContact CG-CB 4.11Å; R372-D388 IonicContact CZ-OD2 3.76Å; R372-D388 IonicContact NE-OD2 2.89Å; R372-D388 IonicContact NH1-OD2 2.8Å; R372-D388 PolarHBondContact NH1-OD2 2.95Å; R372-Y390 HydrophobicContact CB-CD1 4.11Å; R372-Y390 HydrophobicContact CB-CE1 3.99Å; R372-Y390 HydrophobicContact CG-CD1 4.13Å; R372-Y390 HydrophobicContact CG-CE1 3.72Å
373L94.6Very high92.3Very high32 Ų3271.4 Ų71.417%0.16840%0.4CS..EExtended strand (participates in β ladder)trans-105.7101.3169.5-62.1174.4000108.8I350 V357 L359 G375 K376 H389 V391I350-L373 HydrophobicContact CD1-CD1 3.65Å; V357-L373 HydrophobicContact CB-CD1 4.49Å; V357-L373 HydrophobicContact CG1-CD1 4.05Å; L359-L373 HydrophobicContact CD1-CD1 4.38Å; L359-L373 HydrophobicContact CD1-CD2 3.83Å; L359-L373 HydrophobicContact CD1-CG 4.28Å; L373-G375 PolarHBondContact O-N 2.93Å; L373-K376 HydrophobicContact CB-CB 4.04Å; L373-K376 HydrophobicContact CB-CG 4.15Å; L373-K376 PolarHBondContact O-N 3.16Å; L373-H389 HydrophobicContact CB-CB 4.21Å; L373-H389 WeakPolarHBondContact CB-O 3.34Å; L373-H389 PolarHBondContact N-O 3.21Å; L373-H389 PolarHBondContact O-N 2.62Å; L373-V391 HydrophobicContact CD1-CG2 4.04Å
374A94Very high91.9Very high69 Ų6978 Ų7857%0.5741%0.414SS*.THydrogen-bonded Turntrans-64.3132.6-174.900000111.7K376 D388A374-K376 PolarHBondContact O-N 3.12Å; A374-D388 VanDerWaalsContact CA-OD1 3.29Å; A374-D388 WeakPolarHBondContact CA-OD1 3.45Å
375G92.2Very high91.7Very high37 Ų3775.8 Ų75.838%0.38139%0.392SS..THydrogen-bonded Turntrans6811.2176.300000115.7L373 Y386 G387 D388L373-G375 PolarHBondContact O-N 2.93Å; G375-Y386 WeakPolarHBondContact O-CB 3.17Å; G375-G387 CarbonylContact C-O 3.56Å; G375-G387 VanDerWaalsContact CA-O 3.27Å; G375-G387 WeakPolarHBondContact CA-O 3.44Å; G375-D388 PolarHBondContact N-OD1 2.83Å
376K92.6Very high91.6Very high80 Ų8080.7 Ų80.735%0.34841%0.41SS..  trans-98.57.2178-65.9-64.5-172.3179.10113.7E355 V357 L373 A374 G387 H389E355-K376 IonicContact OE1-NZ 3.51Å; E355-K376 PolarHBondContact OE1-NZ 3.2Å; V357-K376 HydrophobicContact CG2-CD 4.45Å; L373-K376 HydrophobicContact CB-CB 4.04Å; L373-K376 HydrophobicContact CB-CG 4.15Å; L373-K376 PolarHBondContact O-N 3.16Å; A374-K376 PolarHBondContact O-N 3.12Å; K376-G387 PolarHBondContact N-O 3.49Å; K376-H389 HydrophobicContact CB-CB 4Å
377G91.8Very high91.6Very high0 Ų078 Ų780%039%0.387CS..SBendtrans-83.3-154.6174.900000113.4G387G377-G387 VanDerWaalsContact CA-O 3.26Å; G377-G387 WeakPolarHBondContact CA-O 3.24Å; G377-G387 PolarHBondContact N-O 2.84Å
378L91.5Very high91.6Very high13 Ų1376.9 Ų76.97%0.06838%0.378CS..PPolyproline II helixtrans-84.6152-178.8-68.8157.6000111.2A206 R326 A329 V331 V353 K380 Y386 G387A206-L378 HydrophobicContact CB-CD2 3.44Å; A206-L378 VanDerWaalsContact CB-CD2 3.44Å; R326-L378 HydrophobicContact CG-CD1 3.81Å; A329-L378 WeakPolarHBondContact O-CB 3.12Å; A329-L378 PolarHBondContact O-N 3.36Å; V331-L378 HydrophobicContact CG2-CD1 3.56Å; V331-L378 HydrophobicContact CG2-CG 3.62Å; V353-L378 HydrophobicContact CG1-CD2 3.79Å; L378-K380 PolarHBondContact O-N 2.99Å; L378-Y386 CarbonylContact O-C 3.38Å; L378-Y386 WeakPolarHBondContact O-CA 3.21Å; L378-G387 PolarHBondContact O-N 3.32Å
379K90.4Very high91.7Very high93 Ų9370.3 Ų70.340%0.40435%0.347SS..BIsolated β-bridgetrans-63.3135.3172.4-170.8179.3179.9179.90109.9A295 G296 Y386A295-K379 HydrophobicContact CB-CB 4.33Å; A295-K379 HydrophobicContact CB-CD 4.12Å; G296-K379 WeakPolarHBondContact CA-O 3.4Å; K379-Y386 HydrophobicContact CB-CD1 4.14Å; K379-Y386 HydrophobicContact CB-CE1 3.92Å; K379-Y386 HydrophobicContact CG-CE1 4.4Å
380K89.1Confident91.7Very high85 Ų8571.4 Ų71.437%0.3735%0.346SS..PPolyproline II helixtrans-74.7131.9173.7-62.2-179.4-178.1-178.60109.3A329 L378 S383 G385A329-K380 HydrophobicContact CB-CD 4.47Å; A329-K380 HydrophobicContact CB-CG 3.66Å; L378-K380 PolarHBondContact O-N 2.99Å; K380-S383 WeakPolarHBondContact CB-O 3.15Å; K380-S383 WeakPolarHBondContact CB-OG 3.32Å; K380-S383 WeakPolarHBondContact CD-OG 3.48Å; K380-G385 PolarHBondContact N-O 2.86Å; K380-G385 VanDerWaalsContact N-O 3.07Å
381V82.9Confident91.8Very high49 Ų4963 Ų6330%0.29732%0.315SS..SBendtrans-76-41.4-175.6-177.90000111.5G296G296-V381 VanDerWaalsContact C-CG2 3.43Å; G296-V381 WeakPolarHBondContact O-CG2 3.46Å
382N83.3Confident91.8Very high156 Ų15662.9 Ų62.983%0.83431%0.313SS*.SBendtrans-100.2-0.2-174.8-64.2-23.8000113.9
383S85.1Confident91.8Very high60 Ų6055.5 Ų55.542%0.4229%0.285SS..SBendtrans-141.4160.4-179.273.20000111K380K380-S383 WeakPolarHBondContact CB-O 3.15Å; K380-S383 WeakPolarHBondContact CB-OG 3.32Å; K380-S383 WeakPolarHBondContact CD-OG 3.48Å
384Y87.8Confident91.9Very high236 Ų23659.8 Ų59.893%0.92530%0.303SS*.SBendtrans-70.1150.3171.1-169-102000111
385G90.8Very high92Very high21 Ų2158.3 Ų58.322%0.21629%0.285CS..SBendtrans96.8-175.6175.200000115.7K380K380-G385 PolarHBondContact N-O 2.86Å; K380-G385 VanDerWaalsContact N-O 3.07Å
386Y92.7Very high92.1Very high115 Ų11562.5 Ų62.545%0.45129%0.294SS..BIsolated β-bridgetrans-117.9154.4-177.1-67.1-97.7000109.7H354 G375 L378 K379H354-Y386 AromaticContact NE2-CE1 3.73Å; G375-Y386 WeakPolarHBondContact O-CB 3.17Å; L378-Y386 CarbonylContact O-C 3.38Å; L378-Y386 WeakPolarHBondContact O-CA 3.21Å; K379-Y386 HydrophobicContact CB-CD1 4.14Å; K379-Y386 HydrophobicContact CB-CE1 3.92Å; K379-Y386 HydrophobicContact CG-CE1 4.4Å
387G93.1Very high92.1Very high1 Ų163.7 Ų63.71%0.0131%0.308CS..  trans-74-179.3164.300000112D330 G375 K376 G377 L378D330-G387 WeakPolarHBondContact OD1-CA 3.26Å; G375-G387 CarbonylContact C-O 3.56Å; G375-G387 VanDerWaalsContact CA-O 3.27Å; G375-G387 WeakPolarHBondContact CA-O 3.44Å; K376-G387 PolarHBondContact N-O 3.49Å; G377-G387 VanDerWaalsContact CA-O 3.26Å; G377-G387 WeakPolarHBondContact CA-O 3.24Å; G377-G387 PolarHBondContact N-O 2.84Å; L378-G387 PolarHBondContact O-N 3.32Å
388D95.1Very high92.1Very high26 Ų2666.6 Ų66.614%0.13933%0.327CS..  trans-99.2152.7179.3-70.1-13000110.8D330 V331 R372 A374 G375 Y390D330-D388 VanDerWaalsContact CA-O 3.26Å; D330-D388 WeakPolarHBondContact CA-O 3.31Å; D330-D388 WeakPolarHBondContact CB-O 3.43Å; D330-D388 PolarHBondContact OD1-N 3.47Å; V331-D388 PolarHBondContact N-O 3.06Å; R372-D388 WeakPolarHBondContact CD-OD2 3.41Å; R372-D388 HydrophobicContact CG-CB 4.11Å; R372-D388 IonicContact CZ-OD2 3.76Å; R372-D388 IonicContact NE-OD2 2.89Å; R372-D388 IonicContact NH1-OD2 2.8Å; R372-D388 PolarHBondContact NH1-OD2 2.95Å; A374-D388 VanDerWaalsContact CA-OD1 3.29Å; A374-D388 WeakPolarHBondContact CA-OD1 3.45Å; G375-D388 PolarHBondContact N-OD1 2.83Å; D388-Y390 HydrophobicContact CB-CE2 4.03Å
389H95.3Very high92.2Very high0 Ų076.1 Ų76.10%037%0.368CS..EExtended strand (participates in β ladder)trans-106.3111.6172.5-177.6-173.9000109.4V331 S333 L373 K376V331-H389 CarbonylContact O-C 3.56Å; V331-H389 WeakPolarHBondContact O-CA 3.5Å; V331-H389 PolarHBondContact O-CD2 3.38Å; V331-H389 VanDerWaalsContact O-CD2 3.3Å; S333-H389 WeakPolarHBondContact CB-NE2 3.36Å; S333-H389 PolarHBondContact OG-NE2 2.7Å; L373-H389 HydrophobicContact CB-CB 4.21Å; L373-H389 WeakPolarHBondContact CB-O 3.34Å; L373-H389 PolarHBondContact N-O 3.21Å; L373-H389 PolarHBondContact O-N 2.62Å; K376-H389 HydrophobicContact CB-CB 4Å
390Y96.6Very high92.4Very high61 Ų6180.9 Ų80.924%0.23939%0.388CS..EExtended strand (participates in β ladder)trans-93118.8176.7-67.3-80.1000110.9D330 V331 H332 S333 R372 D388D330-Y390 HydrophobicContact CB-CD2 4.18Å; D330-Y390 HydrophobicContact CB-CE2 3.98Å; V331-Y390 PolarHBondContact O-N 2.86Å; H332-Y390 VanDerWaalsContact CA-O 3.28Å; H332-Y390 WeakPolarHBondContact CA-O 3.37Å; H332-Y390 AromaticContact CE1-CD2 3.56Å; H332-Y390 AromaticContact CE1-CG 3.69Å; H332-Y390 VanDerWaalsContact ND1-CB 3.28Å; H332-Y390 WeakPolarHBondContact ND1-CB 3.35Å; H332-Y390 AromaticContact ND1-CG 4Å; H332-Y390 AromaticContact NE2-CD2 3.98Å; S333-Y390 PolarHBondContact N-O 3.37Å; S333-Y390 VanDerWaalsContact N-O 3.07Å; R372-Y390 HydrophobicContact CB-CD1 4.11Å; R372-Y390 HydrophobicContact CB-CE1 3.99Å; R372-Y390 HydrophobicContact CG-CD1 4.13Å; R372-Y390 HydrophobicContact CG-CE1 3.72Å; D388-Y390 HydrophobicContact CB-CE2 4.03Å
391V96.3Very high92.5Very high0 Ų079.6 Ų79.60%039%0.385CS..EExtended strand (participates in β ladder)trans-100.6117.5178.7-174.40000108.9S333 V335 I350 L359 R370 L371 L373S333-V391 WeakPolarHBondContact O-CA 3.36Å; V335-V391 HydrophobicContact CB-CG1 3.73Å; V335-V391 HydrophobicContact CG2-CG1 3.46Å; V335-V391 VanDerWaalsContact CG2-CG1 3.46Å; I350-V391 HydrophobicContact CD1-CG2 3.45Å; I350-V391 VanDerWaalsContact CD1-CG2 3.45Å; L359-V391 HydrophobicContact CD2-CB 4.15Å; L359-V391 HydrophobicContact CD2-CG1 3.8Å; L359-V391 HydrophobicContact CD2-CG2 4.29Å; R370-V391 WeakPolarHBondContact CA-O 3.35Å; L371-V391 PolarHBondContact N-O 3.28Å; L371-V391 PolarHBondContact O-N 3.2Å; L373-V391 HydrophobicContact CD1-CG2 4.04Å
392H96Very high92.9Very high31 Ų3180.9 Ų80.914%0.14439%0.393CS..EExtended strand (participates in β ladder)trans-87.7115.8173.2-60.8-93.8000108.9H332 S333 D334 V335 R370H332-H392 AromaticContact CE1-NE2 3.98Å; H332-H392 AromaticContact CG-NE2 3.62Å; H332-H392 AromaticContact ND1-CD2 3.87Å; H332-H392 AromaticContact ND1-CE1 3.83Å; H332-H392 AromaticContact ND1-NE2 2.96Å; H332-H392 PolarHBondContact ND1-NE2 3.48Å; S333-H392 PolarHBondContact O-N 3.39Å; D334-H392 WeakPolarHBondContact CA-O 3.42Å; D334-H392 WeakPolarHBondContact OD1-CB 3.4Å; D334-H392 IonicContact OD1-CD2 3.94Å; D334-H392 IonicContact OD1-CG 3.2Å; V335-H392 PolarHBondContact N-O 3.32Å; R370-H392 PolarHBondContact NE-CE1 3.26Å; R370-H392 VanDerWaalsContact NE-CE1 3.31Å
393V96.3Very high93.2Very high1 Ų179.2 Ų79.21%0.00638%0.384CS..EExtended strand (participates in β ladder)trans-84.5133.1-177.4178.50000109.7V335 I337 T365 H368 S369 L371V335-V393 CarbonylContact O-C 3.48Å; I337-V393 HydrophobicContact CB-CG1 4.48Å; I337-V393 HydrophobicContact CD1-CG1 3.3Å; I337-V393 HydrophobicContact CG1-CG1 3.57Å; I337-V393 HydrophobicContact CG2-CG1 4.09Å; T365-V393 HydrophobicContact CG2-CB 4.36Å; T365-V393 HydrophobicContact CG2-CG1 4.05Å; T365-V393 HydrophobicContact CG2-CG2 4.27Å; H368-V393 VanDerWaalsContact CA-O 3.24Å; H368-V393 WeakPolarHBondContact CA-O 3.46Å; H368-V393 PolarHBondContact N-O 2.72Å; S369-V393 PolarHBondContact O-N 3.02Å; L371-V393 HydrophobicContact CD1-CG2 3.84Å; L371-V393 HydrophobicContact CG-CG2 4.11Å
394K96.1Very high93.3Very high122 Ų12285.9 Ų85.953%0.5340%0.4SS..EExtended strand (participates in β ladder)trans-125.4122.3172.1-174.4172.2-176.9172.40109.8V335 T336 I337 Q396V335-K394 PolarHBondContact O-N 3Å; T336-K394 CarbonylContact C-O 3.6Å; T336-K394 VanDerWaalsContact CA-O 3.23Å; T336-K394 WeakPolarHBondContact CA-O 3.25Å; T336-K394 HydrophobicContact CG2-CB 4.42Å; I337-K394 PolarHBondContact N-O 3.38Å; K394-Q396 PolarHBondContact O-N 2.86Å
395I96.1Very high93.5Very high38 Ų3879 Ų7920%0.19538%0.377CS..EExtended strand (participates in β ladder)trans-77.1123.6177.7-56175.4000108.9I337 L339 A342 S367I337-I395 HydrophobicContact CD1-CG1 4.47Å; I337-I395 HydrophobicContact CG1-CG1 4.25Å; L339-I395 HydrophobicContact CD1-CG2 4.32Å; A342-I395 HydrophobicContact CB-CD1 3.59Å; A342-I395 HydrophobicContact CB-CG1 3.84Å; A342-I395 HydrophobicContact CB-CG2 4.43Å; S367-I395 PolarHBondContact OG-N 3.29Å
396Q94.7Very high93.5Very high125 Ų12584.6 Ų84.658%0.58439%0.391SS*.EExtended strand (participates in β ladder)trans-90.5106.3173.8-175.5174.64.800109.8I337 K394I337-Q396 PolarHBondContact O-N 2.94Å; K394-Q396 PolarHBondContact O-N 2.86Å
397V93.1Very high93.3Very high104 Ų10479.4 Ų79.463%0.6337%0.372SS*.  trans-77.9126.7173.8-175.90000109.4K399V397-K399 PolarHBondContact O-N 3.24Å
398P92.7Very high93.2Very high61 Ų6184.2 Ų84.240%0.39640%0.397SS..  trans-64.7128.5178.726.4-34.9000111.3L401P398-L401 HydrophobicContact CB-CD2 4.02Å; P398-L401 HydrophobicContact CG-CD2 3.64Å
399K93.4Very high93Very high214 Ų21486.1 Ų86.193%0.9341%0.407SS*.SBendtrans-79.6-24.8-179.7-65.4-175.9177.1-178.50114V397V397-K399 PolarHBondContact O-N 3.24Å
400K93.9Very high92.8Very high192 Ų19287.4 Ų87.484%0.83542%0.415SS*.SBendtrans-127.2131.7179.1-65-175.8179.1-176.50107.5
401L90.4Very high92.4Very high58 Ų5884.9 Ų84.930%0.30441%0.406SS..  trans-123.2138.3180-66.9170.8000108.4P398 Q405 R406 L409P398-L401 HydrophobicContact CB-CD2 4.02Å; P398-L401 HydrophobicContact CG-CD2 3.64Å; L401-Q405 HydrophobicContact CB-CB 4.34Å; L401-Q405 HydrophobicContact CD2-CB 4.07Å; L401-R406 HydrophobicContact CB-CB 4.47Å; L401-L409 HydrophobicContact CD1-CD1 3.66Å; L401-L409 HydrophobicContact CD2-CD1 3.89Å; L401-L409 HydrophobicContact CG-CD1 4.45Å
402T91.8Very high92.1Very high77 Ų7790.4 Ų90.447%0.47243%0.428SS..  trans-70.4159.7167.166.70000110.2R404 Q405 R406T402-R404 PolarHBondContact O-N 2.95Å; T402-Q405 PolarHBondContact O-N 3.14Å; T402-Q405 VanDerWaalsContact OG1-CG 3.25Å; T402-Q405 WeakPolarHBondContact OG1-CG 3.28Å; T402-Q405 PolarHBondContact OG1-N 3.41Å; T402-Q405 PolarHBondContact OG1-OE1 3.38Å; T402-R406 PolarHBondContact O-N 3.21Å
403D89.2Confident91.8Very high120 Ų12089.4 Ų89.464%0.64243%0.425SS*.Hα-helixtrans-57.6-37.5179.7-59.6-31.7000111.9R406 A407D403-R406 PolarHBondContact O-N 3.28Å; D403-A407 WeakPolarHBondContact O-CB 3.11Å; D403-A407 PolarHBondContact O-N 3.09Å
404R89Confident91.4Very high200 Ų20090.5 Ų90.576%0.75543%0.43SS*.Hα-helixtrans-64.1-46173.8-65.8-175.1-177.81771.5112.5T402 R406 A407 L408T402-R404 PolarHBondContact O-N 2.95Å; R404-R406 VanDerWaalsContact C-N 3.33Å; R404-A407 PolarHBondContact O-N 2.85Å; R404-L408 WeakPolarHBondContact O-CG 3Å; R404-L408 PolarHBondContact O-N 2.9Å; R404-L408 VanDerWaalsContact O-N 3.08Å
405Q90.7Very high90.9Very high92 Ų9289.3 Ų89.343%0.4343%0.428SS..Hα-helixtrans-65.2-38.6178-72.9169-19.900111.8L401 T402 L408 L409L401-Q405 HydrophobicContact CB-CB 4.34Å; L401-Q405 HydrophobicContact CD2-CB 4.07Å; T402-Q405 PolarHBondContact O-N 3.14Å; T402-Q405 VanDerWaalsContact OG1-CG 3.25Å; T402-Q405 WeakPolarHBondContact OG1-CG 3.28Å; T402-Q405 PolarHBondContact OG1-N 3.41Å; T402-Q405 PolarHBondContact OG1-OE1 3.38Å; Q405-L408 PolarHBondContact O-N 2.99Å; Q405-L409 WeakPolarHBondContact O-CG 3.32Å; Q405-L409 PolarHBondContact O-N 2.66Å; Q405-L409 VanDerWaalsContact O-N 3.07Å
406R90.5Very high90.5Very high139 Ų13990.6 Ų90.653%0.52543%0.433SS..Hα-helixtrans-62.5-49.2174.9-174.7-178.6-59.9-172.75.3110.7L401 T402 D403 R404 L408 L409 T410L401-R406 HydrophobicContact CB-CB 4.47Å; T402-R406 PolarHBondContact O-N 3.21Å; D403-R406 PolarHBondContact O-N 3.28Å; R404-R406 VanDerWaalsContact C-N 3.33Å; R406-L408 VanDerWaalsContact C-N 3.28Å; R406-L408 PolarHBondContact O-N 2.83Å; R406-L409 PolarHBondContact O-N 2.95Å; R406-L409 VanDerWaalsContact O-N 3.15Å; R406-T410 PolarHBondContact O-N 3.09Å; R406-T410 PolarHBondContact O-OG1 2.95Å
407A89.6Confident90.1Very high6 Ų690.3 Ų90.35%0.0545%0.445CS..Hα-helixtrans-57.4-40.7178.200000112.3D403 R404 T410 A411 T443 I444D403-A407 WeakPolarHBondContact O-CB 3.11Å; D403-A407 PolarHBondContact O-N 3.09Å; R404-A407 PolarHBondContact O-N 2.85Å; A407-T410 PolarHBondContact O-N 2.74Å; A407-A411 WeakPolarHBondContact O-CB 3.31Å; A407-A411 PolarHBondContact O-N 3.32Å; A407-T443 HydrophobicContact CB-CG2 3.61Å; A407-I444 HydrophobicContact CB-CG1 3.82Å
408L90.7Very high89.7Confident101 Ų10191.9 Ų91.953%0.52945%0.45SS..Hα-helixtrans-63.4-44.6175.4-71.2169.6000112.7R404 Q405 R406 A411 Y412 V447R404-L408 WeakPolarHBondContact O-CG 3Å; R404-L408 PolarHBondContact O-N 2.9Å; R404-L408 VanDerWaalsContact O-N 3.08Å; Q405-L408 PolarHBondContact O-N 2.99Å; R406-L408 VanDerWaalsContact C-N 3.28Å; R406-L408 PolarHBondContact O-N 2.83Å; L408-A411 PolarHBondContact O-N 3.03Å; L408-Y412 PolarHBondContact O-N 3.02Å; L408-V447 HydrophobicContact CD2-CG1 3.99Å; L408-V447 HydrophobicContact CD2-CG2 3.98Å
409L91.1Very high89.3Confident66 Ų6690.5 Ų90.535%0.34644%0.44SS..Hα-helixtrans-69.5-35.7178.7-72.6170.3000112.2L339 L401 Q405 R406 Y412 A413L339-L409 HydrophobicContact CD2-CD2 4.05Å; L401-L409 HydrophobicContact CD1-CD1 3.66Å; L401-L409 HydrophobicContact CD2-CD1 3.89Å; L401-L409 HydrophobicContact CG-CD1 4.45Å; Q405-L409 WeakPolarHBondContact O-CG 3.32Å; Q405-L409 PolarHBondContact O-N 2.66Å; Q405-L409 VanDerWaalsContact O-N 3.07Å; R406-L409 PolarHBondContact O-N 2.95Å; R406-L409 VanDerWaalsContact O-N 3.15Å; L409-Y412 PolarHBondContact O-N 3.19Å; L409-A413 WeakPolarHBondContact O-CB 3.47Å; L409-A413 PolarHBondContact O-N 3.41Å
410T90.5Very high88.8Confident27 Ų2786.3 Ų86.317%0.16644%0.435CS..Hα-helixtrans-65.7-44.5173.6-54.80000111R406 A407 Y412 A413 E414 V426 A436 I444R406-T410 PolarHBondContact O-N 3.09Å; R406-T410 PolarHBondContact O-OG1 2.95Å; A407-T410 PolarHBondContact O-N 2.74Å; T410-Y412 VanDerWaalsContact C-N 3.3Å; T410-Y412 PolarHBondContact O-N 3.26Å; T410-A413 WeakPolarHBondContact O-CB 3.24Å; T410-A413 PolarHBondContact O-N 3.07Å; T410-A413 VanDerWaalsContact O-N 3.14Å; T410-E414 PolarHBondContact O-N 3.44Å; T410-E414 VanDerWaalsContact O-N 3.09Å; T410-V426 HydrophobicContact CG2-CG2 3.94Å; T410-A436 HydrophobicContact CG2-CB 3.62Å; T410-I444 HydrophobicContact CG2-CD1 3.94Å
411A88.9Confident88.5Confident8 Ų880.5 Ų80.57%0.06643%0.429CS..Hα-helixtrans-61.7-37.9175.300000112.1A407 L408 E414 V447A407-A411 WeakPolarHBondContact O-CB 3.31Å; A407-A411 PolarHBondContact O-N 3.32Å; L408-A411 PolarHBondContact O-N 3.03Å; A411-E414 WeakPolarHBondContact O-CB 3.26Å; A411-E414 PolarHBondContact O-N 3.11Å; A411-V447 HydrophobicContact CB-CB 4.46Å; A411-V447 HydrophobicContact CB-CG1 3.66Å
412Y89.8Confident88.3Confident117 Ų11783.4 Ų83.446%0.45945%0.454SS..Hα-helixtrans-63.8-42.3172.3179.8-102.3000112.2L408 L409 T410 E414 M415 E416L408-Y412 PolarHBondContact O-N 3.02Å; L409-Y412 PolarHBondContact O-N 3.19Å; T410-Y412 VanDerWaalsContact C-N 3.3Å; T410-Y412 PolarHBondContact O-N 3.26Å; Y412-E414 PolarHBondContact O-N 2.93Å; Y412-M415 PolarHBondContact O-N 2.99Å; Y412-E416 PolarHBondContact O-N 2.73Å; Y412-E416 VanDerWaalsContact O-N 3.07Å
413A90.5Very high88.1Confident9 Ų982.3 Ų82.37%0.07445%0.447CS..Hα-helixtrans-63.8-24.8177.400000113.4L409 T410 M415 V423 V426 K434L409-A413 WeakPolarHBondContact O-CB 3.47Å; L409-A413 PolarHBondContact O-N 3.41Å; T410-A413 WeakPolarHBondContact O-CB 3.24Å; T410-A413 PolarHBondContact O-N 3.07Å; T410-A413 VanDerWaalsContact O-N 3.14Å; A413-M415 VanDerWaalsContact C-N 3.31Å; A413-V423 HydrophobicContact CB-CG1 4.17Å; A413-V423 HydrophobicContact CB-CG2 4.49Å; A413-V426 HydrophobicContact CB-CG2 4.18Å; A413-K434 WeakPolarHBondContact O-CD 3.27Å
414E87.1Confident88Confident24 Ų2486.5 Ų86.511%0.11246%0.46CS..Hα-helixtrans-66.9-33.5170.6-67-178.2168.800112.2T410 A411 Y412 K434 A436 R448T410-E414 PolarHBondContact O-N 3.44Å; T410-E414 VanDerWaalsContact O-N 3.09Å; A411-E414 WeakPolarHBondContact O-CB 3.26Å; A411-E414 PolarHBondContact O-N 3.11Å; Y412-E414 PolarHBondContact O-N 2.93Å; E414-K434 WeakPolarHBondContact CB-O 3.35Å; E414-K434 WeakPolarHBondContact CG-O 3.43Å; E414-K434 WeakPolarHBondContact O-CB 3.46Å; E414-A436 WeakPolarHBondContact OE1-CB 3.41Å; E414-A436 PolarHBondContact OE1-N 3Å; E414-R448 VanDerWaalsContact CD-NH2 3.25Å; E414-R448 IonicContact OE1-CZ 3.88Å; E414-R448 IonicContact OE1-NH2 3.9Å; E414-R448 PolarHBondContact OE1-NH2 3.22Å; E414-R448 IonicContact OE2-CZ 2.71Å; E414-R448 IonicContact OE2-NE 2.72Å; E414-R448 PolarHBondContact OE2-NE 3.17Å; E414-R448 IonicContact OE2-NH2 3.73Å; E414-R448 PolarHBondContact OE2-NH2 2.97Å
415M85.8Confident87.8Confident98 Ų9878.8 Ų78.848%0.48344%0.442SS..Hα-helixtrans-92.6-12.9-176-60.2-176.6-66.400113.6Y412 A413 S417 V451Y412-M415 PolarHBondContact O-N 2.99Å; A413-M415 VanDerWaalsContact C-N 3.31Å; M415-S417 PolarHBondContact O-N 2.86Å; M415-V451 HydrophobicContact SD-CG1 4.27Å
416E87.8Confident87.7Confident65 Ų6575 Ų7530%0.30443%0.426SS..  trans-70124.1-178.1-172179-131.400110.9Y412 T419 K434Y412-E416 PolarHBondContact O-N 2.73Å; Y412-E416 VanDerWaalsContact O-N 3.07Å; E416-T419 PolarHBondContact OE2-OG1 3.46Å; E416-K434 WeakPolarHBondContact O-CE 3.22Å; E416-K434 PolarHBondContact O-NZ 3.31Å
417S86Confident87.5Confident119 Ų11971.9 Ų71.983%0.83242%0.422SS*.SBendtrans-82.8-40.6179.851.90000113M415M415-S417 PolarHBondContact O-N 2.86Å
418D84.5Confident87.2Confident137 Ų13776.9 Ų76.973%0.73345%0.446SS*.  trans-104.175.1-173.7-17021000111.9
419T83.8Confident86.9Confident32 Ų3274 Ų7420%0.19643%0.433CS..  trans-107.4109.6172.6-43.30000109.5E416 G421 V423 K434E416-T419 PolarHBondContact OE2-OG1 3.46Å; T419-G421 PolarHBondContact O-N 3.01Å; T419-G421 VanDerWaalsContact O-N 3.1Å; T419-V423 HydrophobicContact CG2-CG2 3.61Å; T419-K434 PolarHBondContact OG1-NZ 3.25Å
420P83.8Confident86.5Confident126 Ų12676.2 Ų76.282%0.81846%0.46SS*.SBendtrans-70.6106.9169.626.9-31.8000110
421G86.2Confident86.1Confident70 Ų7081.4 Ų81.472%0.72249%0.487SS*.SBendtrans97.7-151.6177.100000114.3T419T419-G421 PolarHBondContact O-N 3.01Å; T419-G421 VanDerWaalsContact O-N 3.1Å
422S87.2Confident85.7Confident118 Ų11883.6 Ų83.683%0.82551%0.511SS*.  trans-110.4136.5-177.162.70000112.2
423V88.1Confident85.3Confident54 Ų5483 Ų8333%0.32752%0.515SS..  trans-90.4127.5169.9-174.40000109.5A413 T419 G425 V426A413-V423 HydrophobicContact CB-CG1 4.17Å; A413-V423 HydrophobicContact CB-CG2 4.49Å; T419-V423 HydrophobicContact CG2-CG2 3.61Å; V423-G425 PolarHBondContact O-N 2.95Å; V423-V426 HydrophobicContact CB-CB 4.27Å; V423-V426 HydrophobicContact CB-CG2 4.37Å; V423-V426 HydrophobicContact CG1-CG2 4.28Å; V423-V426 PolarHBondContact O-N 3.32Å; V423-V426 VanDerWaalsContact O-N 3.12Å
424K87.1Confident85Confident208 Ų20884.4 Ų84.490%0.90452%0.52SS*.THydrogen-bonded Turntrans-60.5125.3177.8-174.9178.4-179.7177.10110.6
425G84.9Confident84.9Confident38 Ų3886.6 Ų86.639%0.39253%0.532SS..THydrogen-bonded Turntrans88.84.4179.800000114.5V423 A436 T437V423-G425 PolarHBondContact O-N 2.95Å; G425-A436 CarbonylContact O-C 3.33Å; G425-A436 VanDerWaalsContact O-CA 3.28Å; G425-A436 WeakPolarHBondContact O-CA 3.48Å; G425-T437 PolarHBondContact O-N 3.39Å
426V87.1Confident84.8Confident14 Ų1483 Ų839%0.08552%0.517CS..EExtended strand (participates in β ladder)trans-123.7127.3172.9-176.50000108.8T410 A413 V423 M428 K434 L435T410-V426 HydrophobicContact CG2-CG2 3.94Å; A413-V426 HydrophobicContact CB-CG2 4.18Å; V423-V426 HydrophobicContact CB-CB 4.27Å; V423-V426 HydrophobicContact CB-CG2 4.37Å; V423-V426 HydrophobicContact CG1-CG2 4.28Å; V423-V426 PolarHBondContact O-N 3.32Å; V423-V426 VanDerWaalsContact O-N 3.12Å; V426-M428 HydrophobicContact CG1-CE 4.31Å; V426-K434 HydrophobicContact CG1-CB 3.73Å; V426-L435 CarbonylContact C-O 3.57Å; V426-L435 WeakPolarHBondContact CA-O 3.44Å
427T86.6Confident84.6Confident72 Ų7283.9 Ų83.944%0.44253%0.528SS..EExtended strand (participates in β ladder)trans-114.8146.318043.10000110.2L435 T437T427-L435 PolarHBondContact N-O 3.25Å; T427-L435 PolarHBondContact O-N 3.27Å; T427-L435 PolarHBondContact OG1-O 3.18Å; T427-T437 WeakPolarHBondContact CG2-OG1 3.3Å
428M84Confident84.3Confident111 Ų11185.4 Ų85.455%0.54752%0.522SS..EExtended strand (participates in β ladder)trans-80.1130.6171.3-54.3-62.1100.600109.1V426 N433 K434V426-M428 HydrophobicContact CG1-CE 4.31Å; M428-N433 CarbonylContact C-O 3.52Å; M428-N433 WeakPolarHBondContact CA-O 3.44Å; M428-K434 HydrophobicContact CE-CB 3.73Å; M428-K434 HydrophobicContact CE-CD 3.64Å; M428-K434 HydrophobicContact CE-CG 3.34Å; M428-K434 HydrophobicContact SD-CB 4.45Å; M428-K434 HydrophobicContact SD-CD 4.22Å; M428-K434 HydrophobicContact SD-CG 3.66Å
429T84.3Confident84.2Confident41 Ų4181.2 Ų81.225%0.25250%0.499SS..  trans-76.6166.2167.663.10000110.9D431 G432 N433 L435T429-D431 PolarHBondContact O-N 3.31Å; T429-D431 VanDerWaalsContact O-N 3.16Å; T429-G432 PolarHBondContact O-N 2.92Å; T429-N433 PolarHBondContact N-O 3.17Å; T429-N433 PolarHBondContact OG1-N 3.08Å; T429-N433 PolarHBondContact OG1-O 3.41Å; T429-L435 HydrophobicContact CG2-CB 4.25Å; T429-L435 HydrophobicContact CG2-CD1 3.32Å; T429-L435 HydrophobicContact CG2-CG 3.83Å
430A82.3Confident83.7Confident112 Ų11284.1 Ų84.193%0.92652%0.519SS*.THydrogen-bonded Turntrans-56.3-28.3173.400000112.6G432A430-G432 PolarHBondContact O-N 2.89Å
431D81.9Confident83.4Confident136 Ų13681.4 Ų81.473%0.72751%0.513SS*.THydrogen-bonded Turntrans-77.5-1.6178.4-48.1-46000113.4T429 N433T429-D431 PolarHBondContact O-N 3.31Å; T429-D431 VanDerWaalsContact O-N 3.16Å; D431-N433 VanDerWaalsContact C-N 3.29Å; D431-N433 PolarHBondContact O-N 3.13Å
432G80.7Confident83.3Confident55 Ų5579.3 Ų79.357%0.56749%0.492SS*.SBendtrans81.92.8-175.900000114.5T429 A430T429-G432 PolarHBondContact O-N 2.92Å; A430-G432 PolarHBondContact O-N 2.89Å
433N82.3Confident83.2Confident103 Ų10375.5 Ų75.555%0.55146%0.464SS*.  trans-82.6142.3178.2-68.1-36.1000111.3M428 T429 D431M428-N433 CarbonylContact C-O 3.52Å; M428-N433 WeakPolarHBondContact CA-O 3.44Å; T429-N433 PolarHBondContact N-O 3.17Å; T429-N433 PolarHBondContact OG1-N 3.08Å; T429-N433 PolarHBondContact OG1-O 3.41Å; D431-N433 VanDerWaalsContact C-N 3.29Å; D431-N433 PolarHBondContact O-N 3.13Å
434K83.1Confident83.1Confident40 Ų4073.3 Ų73.317%0.17445%0.45CS..EExtended strand (participates in β ladder)trans-85125175.1-49.1-163.2166161.50109.3A413 E414 E416 T419 V426 M428A413-K434 WeakPolarHBondContact O-CD 3.27Å; E414-K434 WeakPolarHBondContact CB-O 3.35Å; E414-K434 WeakPolarHBondContact CG-O 3.43Å; E414-K434 WeakPolarHBondContact O-CB 3.46Å; E416-K434 WeakPolarHBondContact O-CE 3.22Å; E416-K434 PolarHBondContact O-NZ 3.31Å; T419-K434 PolarHBondContact OG1-NZ 3.25Å; V426-K434 HydrophobicContact CG1-CB 3.73Å; M428-K434 HydrophobicContact CE-CB 3.73Å; M428-K434 HydrophobicContact CE-CD 3.64Å; M428-K434 HydrophobicContact CE-CG 3.34Å; M428-K434 HydrophobicContact SD-CB 4.45Å; M428-K434 HydrophobicContact SD-CD 4.22Å; M428-K434 HydrophobicContact SD-CG 3.66Å
435L85.2Confident83Confident69 Ų6967 Ų6736%0.36143%0.429SS..EExtended strand (participates in β ladder)trans-130.9138.9176.3-72.4179.6000111.7V426 T427 T429V426-L435 CarbonylContact C-O 3.57Å; V426-L435 WeakPolarHBondContact CA-O 3.44Å; T427-L435 PolarHBondContact N-O 3.25Å; T427-L435 PolarHBondContact O-N 3.27Å; T427-L435 PolarHBondContact OG1-O 3.18Å; T429-L435 HydrophobicContact CG2-CB 4.25Å; T429-L435 HydrophobicContact CG2-CD1 3.32Å; T429-L435 HydrophobicContact CG2-CG 3.83Å
436A83.3Confident83.1Confident22 Ų2274.2 Ų74.218%0.18244%0.444CS..EExtended strand (participates in β ladder)trans-63.3133172.900000111.5T410 E414 G425 I444T410-A436 HydrophobicContact CG2-CB 3.62Å; E414-A436 WeakPolarHBondContact OE1-CB 3.41Å; E414-A436 PolarHBondContact OE1-N 3Å; G425-A436 CarbonylContact O-C 3.33Å; G425-A436 VanDerWaalsContact O-CA 3.28Å; G425-A436 WeakPolarHBondContact O-CA 3.48Å; A436-I444 HydrophobicContact CB-CD1 3.87Å; A436-I444 HydrophobicContact CB-CG2 4.39Å
437T83.5Confident83Confident85 Ų8574.9 Ų74.952%0.52145%0.448SS..SBendtrans-75-31.3179.3-45.50000112.4G425 T427G425-T437 PolarHBondContact O-N 3.39Å; T427-T437 WeakPolarHBondContact CG2-OG1 3.3Å
438E80.9Confident82.8Confident150 Ų15074.8 Ų74.870%0.70144%0.44SS*.  trans-131134-174.9-63.6176.9-174.600110.2I444E438-I444 WeakPolarHBondContact O-CD1 3.24Å
439D81.8Confident82.9Confident49 Ų4977 Ų7726%0.26245%0.447SS..  trans-125.574.8172.7-172.67.8000111.1G441 G442 T443 I444 T445D439-G441 PolarHBondContact O-N 3.24Å; D439-G442 VanDerWaalsContact CG-CA 3.47Å; D439-G442 PolarHBondContact O-N 2.71Å; D439-G442 VanDerWaalsContact O-N 3.14Å; D439-G442 VanDerWaalsContact OD1-C 3.27Å; D439-G442 WeakPolarHBondContact OD1-CA 3.41Å; D439-G442 VanDerWaalsContact OD2-C 3.27Å; D439-G442 WeakPolarHBondContact OD2-CA 2.99Å; D439-T443 PolarHBondContact OD1-N 3.14Å; D439-I444 HydrophobicContact CB-CB 4.29Å; D439-I444 HydrophobicContact CB-CD1 4.31Å; D439-I444 WeakPolarHBondContact OD1-CB 3.43Å; D439-I444 WeakPolarHBondContact OD1-CG1 3.5Å; D439-I444 PolarHBondContact OD1-N 2.83Å; D439-I444 PolarHBondContact OD2-N 3.03Å; D439-T445 VanDerWaalsContact OD2-CB 3.26Å; D439-T445 WeakPolarHBondContact OD2-CB 3.5Å; D439-T445 PolarHBondContact OD2-N 3.03Å; D439-T445 PolarHBondContact OD2-OG1 2.82Å
440P74Confident82.9Confident93 Ų9377.9 Ų77.960%0.60446%0.458SS*.G310 helixtrans-60.3115.6178.723.4-31.4000110.5T443P440-T443 PolarHBondContact O-OG1 2.88Å
441G77Confident82.8Confident69 Ų6975 Ų7571%0.71143%0.429SS*.G310 helixtrans79.710.5178.700000115.7D439 T443D439-G441 PolarHBondContact O-N 3.24Å; G441-T443 PolarHBondContact O-N 3.3Å
442G83.5Confident82.5Confident26 Ų2674.5 Ų74.527%0.26842%0.418SS..G310 helixtrans68.119.6179.600000113.5D439 R446D439-G442 VanDerWaalsContact CG-CA 3.47Å; D439-G442 PolarHBondContact O-N 2.71Å; D439-G442 VanDerWaalsContact O-N 3.14Å; D439-G442 VanDerWaalsContact OD1-C 3.27Å; D439-G442 WeakPolarHBondContact OD1-CA 3.41Å; D439-G442 VanDerWaalsContact OD2-C 3.27Å; D439-G442 WeakPolarHBondContact OD2-CA 2.99Å; G442-R446 VanDerWaalsContact O-CG 3.28Å; G442-R446 WeakPolarHBondContact O-CG 3.5Å; G442-R446 PolarHBondContact O-N 2.85Å; G442-R446 VanDerWaalsContact O-N 3.11Å
443T86.1Confident82.1Confident39 Ų3975 Ų7524%0.23941%0.412CS..Hα-helixtrans-73-40.6-173.2-51.30000111A407 D439 P440 G441 R446 V447A407-T443 HydrophobicContact CB-CG2 3.61Å; D439-T443 PolarHBondContact OD1-N 3.14Å; P440-T443 PolarHBondContact O-OG1 2.88Å; G441-T443 PolarHBondContact O-N 3.3Å; T443-R446 PolarHBondContact O-N 2.94Å; T443-V447 WeakPolarHBondContact O-CG2 3.48Å; T443-V447 PolarHBondContact O-N 3.05Å
444I85.7Confident81Confident7 Ų773.4 Ų73.44%0.03641%0.409CS..Hα-helixtrans-65.5-43.1177.3-56.9174.2000109.5A407 T410 A436 E438 D439 R446 V447 R448A407-I444 HydrophobicContact CB-CG1 3.82Å; T410-I444 HydrophobicContact CG2-CD1 3.94Å; A436-I444 HydrophobicContact CB-CD1 3.87Å; A436-I444 HydrophobicContact CB-CG2 4.39Å; E438-I444 WeakPolarHBondContact O-CD1 3.24Å; D439-I444 HydrophobicContact CB-CB 4.29Å; D439-I444 HydrophobicContact CB-CD1 4.31Å; D439-I444 WeakPolarHBondContact OD1-CB 3.43Å; D439-I444 WeakPolarHBondContact OD1-CG1 3.5Å; D439-I444 PolarHBondContact OD1-N 2.83Å; D439-I444 PolarHBondContact OD2-N 3.03Å; I444-R446 VanDerWaalsContact C-N 3.3Å; I444-R446 PolarHBondContact O-N 2.84Å; I444-V447 WeakPolarHBondContact O-CB 3.29Å; I444-V447 PolarHBondContact O-N 3.27Å; I444-V447 VanDerWaalsContact O-N 3.14Å; I444-R448 WeakPolarHBondContact O-CB 3.29Å; I444-R448 PolarHBondContact O-N 2.6Å
445T85.3Confident79.8Confident75 Ų7577 Ų7746%0.4643%0.43SS..Hα-helixtrans-60.6-39.5176.2-57.90000111.6D439 R448 K449D439-T445 VanDerWaalsContact OD2-CB 3.26Å; D439-T445 WeakPolarHBondContact OD2-CB 3.5Å; D439-T445 PolarHBondContact OD2-N 3.03Å; D439-T445 PolarHBondContact OD2-OG1 2.82Å; T445-R448 PolarHBondContact O-N 3.04Å; T445-K449 WeakPolarHBondContact O-CB 3.27Å; T445-K449 PolarHBondContact O-N 2.79Å
446R86.1Confident78.3Confident190 Ų19078.6 Ų78.672%0.71744%0.439SS*.Hα-helixtrans-64.6-43173.8-74171.9-179.1-168.11112.2G442 T443 I444 K449 A450G442-R446 VanDerWaalsContact O-CG 3.28Å; G442-R446 WeakPolarHBondContact O-CG 3.5Å; G442-R446 PolarHBondContact O-N 2.85Å; G442-R446 VanDerWaalsContact O-N 3.11Å; T443-R446 PolarHBondContact O-N 2.94Å; I444-R446 VanDerWaalsContact C-N 3.3Å; I444-R446 PolarHBondContact O-N 2.84Å; R446-K449 PolarHBondContact O-N 2.99Å; R446-A450 WeakPolarHBondContact O-CB 3.47Å; R446-A450 PolarHBondContact O-N 2.93Å
447V84.9Confident76.9Confident28 Ų2882.9 Ų82.917%0.1746%0.464CS..Hα-helixtrans-61.9-47.1175.2172.50000110.2L408 A411 T443 I444 K449 A450 V451L408-V447 HydrophobicContact CD2-CG1 3.99Å; L408-V447 HydrophobicContact CD2-CG2 3.98Å; A411-V447 HydrophobicContact CB-CB 4.46Å; A411-V447 HydrophobicContact CB-CG1 3.66Å; T443-V447 WeakPolarHBondContact O-CG2 3.48Å; T443-V447 PolarHBondContact O-N 3.05Å; I444-V447 WeakPolarHBondContact O-CB 3.29Å; I444-V447 PolarHBondContact O-N 3.27Å; I444-V447 VanDerWaalsContact O-N 3.14Å; V447-K449 PolarHBondContact O-N 3.15Å; V447-A450 PolarHBondContact O-N 3.28Å; V447-V451 HydrophobicContact CG1-CG2 4.38Å; V447-V451 WeakPolarHBondContact O-CG2 3.39Å; V447-V451 PolarHBondContact O-N 3.14Å
448R83.7Confident75.4Confident70 Ų7086.6 Ų86.626%0.26448%0.476SS..Hα-helixtrans-56.4-52.3176.9-166.9178.7-61.4130.6-0.5110.7E414 I444 T445 A450 V451 Y452E414-R448 VanDerWaalsContact CD-NH2 3.25Å; E414-R448 IonicContact OE1-CZ 3.88Å; E414-R448 IonicContact OE1-NH2 3.9Å; E414-R448 PolarHBondContact OE1-NH2 3.22Å; E414-R448 IonicContact OE2-CZ 2.71Å; E414-R448 IonicContact OE2-NE 2.72Å; E414-R448 PolarHBondContact OE2-NE 3.17Å; E414-R448 IonicContact OE2-NH2 3.73Å; E414-R448 PolarHBondContact OE2-NH2 2.97Å; I444-R448 WeakPolarHBondContact O-CB 3.29Å; I444-R448 PolarHBondContact O-N 2.6Å; T445-R448 PolarHBondContact O-N 3.04Å; R448-A450 VanDerWaalsContact C-N 3.27Å; R448-A450 PolarHBondContact O-N 2.98Å; R448-V451 PolarHBondContact O-N 3.46Å; R448-Y452 HydrophobicContact CG-CD2 3.49Å; R448-Y452 VanDerWaalsContact CG-CD2 3.49Å; R448-Y452 HydrophobicContact CG-CE2 3.51Å; R448-Y452 VanDerWaalsContact O-CD2 3.23Å; R448-Y452 WeakPolarHBondContact O-CD2 3.48Å; R448-Y452 PolarHBondContact O-N 2.88Å
449K85.3Confident73.8Confident159 Ų15981.2 Ų81.269%0.69146%0.46SS*.Hα-helixtrans-56.1-43.7178-172.5174.2-178.7175.70111.2T445 R446 V447 S453T445-K449 WeakPolarHBondContact O-CB 3.27Å; T445-K449 PolarHBondContact O-N 2.79Å; R446-K449 PolarHBondContact O-N 2.99Å; V447-K449 PolarHBondContact O-N 3.15Å; K449-S453 WeakPolarHBondContact O-CA 3.21Å; K449-S453 WeakPolarHBondContact O-CB 3.4Å; K449-S453 PolarHBondContact O-N 3.48Å; K449-S453 PolarHBondContact O-OG 2.65Å
450A84.5Confident72.1Confident58 Ų5883.8 Ų83.848%0.47947%0.472SS..Hα-helixtrans-65.4-41.9178.900000113.3R446 V447 R448 S453 S454R446-A450 WeakPolarHBondContact O-CB 3.47Å; R446-A450 PolarHBondContact O-N 2.93Å; V447-A450 PolarHBondContact O-N 3.28Å; R448-A450 VanDerWaalsContact C-N 3.27Å; R448-A450 PolarHBondContact O-N 2.98Å; A450-S453 PolarHBondContact O-OG 2.8Å; A450-S454 PolarHBondContact O-OG 3.35Å
451V80.6Confident70.8Confident53 Ų5381.7 Ų81.732%0.32147%0.468SS..Hα-helixtrans-66.2-49178.2174.80000110.6M415 V447 R448 S454M415-V451 HydrophobicContact SD-CG1 4.27Å; V447-V451 HydrophobicContact CG1-CG2 4.38Å; V447-V451 WeakPolarHBondContact O-CG2 3.39Å; V447-V451 PolarHBondContact O-N 3.14Å; R448-V451 PolarHBondContact O-N 3.46Å; V451-S454 PolarHBondContact O-OG 2.86Å
452Y75.8Confident69.4Low125 Ų12584.4 Ų84.449%0.4946%0.461SS..Hα-helixtrans-76.6-33.4-177.8-69.7-74.8000113.4R448 S454 L455R448-Y452 HydrophobicContact CG-CD2 3.49Å; R448-Y452 VanDerWaalsContact CG-CD2 3.49Å; R448-Y452 HydrophobicContact CG-CE2 3.51Å; R448-Y452 VanDerWaalsContact O-CD2 3.23Å; R448-Y452 WeakPolarHBondContact O-CD2 3.48Å; R448-Y452 PolarHBondContact O-N 2.88Å; Y452-S454 PolarHBondContact O-N 3.47Å; Y452-S454 VanDerWaalsContact O-N 3.13Å; Y452-L455 HydrophobicContact CD1-CD1 4.1Å; Y452-L455 PolarHBondContact O-N 3.3Å; Y452-L455 VanDerWaalsContact O-N 3.08Å
453S72.4Confident67.8Low64 Ų6490.3 Ų90.345%0.44848%0.48SS..Hα-helixtrans-66.5-16.5178.367.30000113.7K449 A450K449-S453 WeakPolarHBondContact O-CA 3.21Å; K449-S453 WeakPolarHBondContact O-CB 3.4Å; K449-S453 PolarHBondContact O-N 3.48Å; K449-S453 PolarHBondContact O-OG 2.65Å; A450-S453 PolarHBondContact O-OG 2.8Å
454S58.9Low66.3Low70 Ų7092.7 Ų92.749%0.4949%0.494SS..THydrogen-bonded Turntrans-92.3-10.4176.857.70000113.6A450 V451 Y452 D456A450-S454 PolarHBondContact O-OG 3.35Å; V451-S454 PolarHBondContact O-OG 2.86Å; Y452-S454 PolarHBondContact O-N 3.47Å; Y452-S454 VanDerWaalsContact O-N 3.13Å; S454-D456 VanDerWaalsContact C-N 3.34Å
455L57.4Low64.7Low116 Ų11694.4 Ų94.461%0.60751%0.509SS*.SBendtrans-87.1-4.8178.3-68170.1000113.2Y452 P457Y452-L455 HydrophobicContact CD1-CD1 4.1Å; Y452-L455 PolarHBondContact O-N 3.3Å; Y452-L455 VanDerWaalsContact O-N 3.08Å; L455-P457 VanDerWaalsContact C-CD 3.48Å; L455-P457 WeakPolarHBondContact O-CD 3.39Å
456D52.8Low63.3Low103 Ų10395.2 Ų95.255%0.55151%0.511SS*.  trans-94.788.4169-61-35.2000109.4S454 E458 G459S454-D456 VanDerWaalsContact C-N 3.34Å; D456-E458 PolarHBondContact O-N 3.11Å; D456-E458 VanDerWaalsContact O-N 3.09Å; D456-G459 PolarHBondContact O-N 3.27Å; D456-G459 VanDerWaalsContact O-N 3.13Å
457P54.6Low61.9Low111 Ų11191.7 Ų91.772%0.72151%0.506SS*.Hα-helixtrans-59.4-20.217424-33.1000112.3L455L455-P457 VanDerWaalsContact C-CD 3.48Å; L455-P457 WeakPolarHBondContact O-CD 3.39Å
458E52.4Low60.6Low164 Ų16494.3 Ų94.377%0.76652%0.518SS*.Hα-helixtrans-77.5-18.8179.8-60.7-173.3163.200113.2D456 Q462D456-E458 PolarHBondContact O-N 3.11Å; D456-E458 VanDerWaalsContact O-N 3.09Å; E458-Q462 PolarHBondContact O-OE1 3.45Å; E458-Q462 VanDerWaalsContact O-OE1 3.08Å
459G46.3Very low59.3Low36 Ų3695.8 Ų95.837%0.37153%0.531SS..Hα-helixtrans-92.9-24-174.300000116.1D456D456-G459 PolarHBondContact O-N 3.27Å; D456-G459 VanDerWaalsContact O-N 3.13Å
460M47Very low58Low104 Ų10495.7 Ų95.751%0.51253%0.533SS..Hα-helixtrans-93.6-25.8-178.5-86.4-175.6-69.100113.6V464M460-V464 WeakPolarHBondContact O-CG2 3.49Å; M460-V464 PolarHBondContact O-N 3.38Å
461G45.5Very low56.7Low49 Ų49100 Ų10051%0.50555%0.547SS..Hα-helixtrans-63-43.3172.800000112.4A465G461-A465 WeakPolarHBondContact O-CB 3.48Å; G461-A465 PolarHBondContact O-N 3.04Å; G461-A465 VanDerWaalsContact O-N 3.15Å
462Q49.1Very low55.5Low125 Ų125104.6 Ų104.658%0.58456%0.563SS**Hα-helixtrans-65.5-46.4177.2-108.389.39.300112.7E458 V464 A465 D466E458-Q462 PolarHBondContact O-OE1 3.45Å; E458-Q462 VanDerWaalsContact O-OE1 3.08Å; Q462-V464 VanDerWaalsContact C-N 3.32Å; Q462-V464 PolarHBondContact O-N 3.29Å; Q462-A465 PolarHBondContact O-N 3.1Å; Q462-D466 WeakPolarHBondContact O-CB 3.43Å; Q462-D466 PolarHBondContact O-N 3.23Å
463K50Low54.5Low151 Ų151104 Ų10466%0.65757%0.572SS**Hα-helixtrans-71.9-22.1-175-74.1-177.4178.8172.70114.8N467K463-N467 PolarHBondContact O-ND2 2.97Å
464V53.4Low53.4Low89 Ų89108.4 Ų108.454%0.53959%0.591SS.*Hα-helixtrans-84.9-33.2172.41790000110.5M460 Q462 I468M460-V464 WeakPolarHBondContact O-CG2 3.49Å; M460-V464 PolarHBondContact O-N 3.38Å; Q462-V464 VanDerWaalsContact C-N 3.32Å; Q462-V464 PolarHBondContact O-N 3.29Å; V464-I468 HydrophobicContact CG1-CD1 3.81Å; V464-I468 WeakPolarHBondContact O-CD1 3.4Å; V464-I468 VanDerWaalsContact O-CG1 3.22Å; V464-I468 WeakPolarHBondContact O-CG1 3.49Å; V464-I468 PolarHBondContact O-N 2.94Å
465A52.6Low53Low43 Ų43115 Ų11536%0.35563%0.628SS.*Hα-helixtrans-66.5-44.3172.500000112.3G461 Q462 N467 I468 D469G461-A465 WeakPolarHBondContact O-CB 3.48Å; G461-A465 PolarHBondContact O-N 3.04Å; G461-A465 VanDerWaalsContact O-N 3.15Å; Q462-A465 PolarHBondContact O-N 3.1Å; A465-N467 PolarHBondContact O-N 3.34Å; A465-I468 PolarHBondContact O-N 3.24Å; A465-D469 PolarHBondContact O-N 2.9Å
466D56Low52.7Low92 Ų92114.9 Ų114.949%0.49263%0.63SS.*Hα-helixtrans-66.4-22.9-178.9-63.6-22.9000113.2Q462 H470Q462-D466 WeakPolarHBondContact O-CB 3.43Å; Q462-D466 PolarHBondContact O-N 3.23Å; D466-H470 PolarHBondContact O-CD2 3.47Å; D466-H470 VanDerWaalsContact O-CD2 3.31Å
467N55.8Low52.7Low115 Ų115115.5 Ų115.562%0.61563%0.634SS**Hα-helixtrans-91.7-10.6175.5-76.9-54.9000113.7K463 A465K463-N467 PolarHBondContact O-ND2 2.97Å; A465-N467 PolarHBondContact O-N 3.34Å
468I57.9Low52.6Low83 Ų83115.8 Ų115.843%0.42663%0.629SS.*Hα-helixtrans-95-27.2177.4-69.6169.4000111.1V464 A465 L471V464-I468 HydrophobicContact CG1-CD1 3.81Å; V464-I468 WeakPolarHBondContact O-CD1 3.4Å; V464-I468 VanDerWaalsContact O-CG1 3.22Å; V464-I468 WeakPolarHBondContact O-CG1 3.49Å; V464-I468 PolarHBondContact O-N 2.94Å; A465-I468 PolarHBondContact O-N 3.24Å; I468-L471 PolarHBondContact O-N 3.48Å
469D56.4Low52.6Low101 Ų101112.9 Ų112.954%0.5462%0.621SS.*G310 helixtrans-79.6-15.2-179.3-73.8-19.8000114.1A465 L471A465-D469 PolarHBondContact O-N 2.9Å; D469-L471 VanDerWaalsContact C-N 3.33Å
470H59.1Low53Low158 Ų158117.8 Ų117.873%0.73164%0.636SS**G310 helixtrans-85.81.1170.5-71.9-52000114.6D466D466-H470 PolarHBondContact O-CD2 3.47Å; D466-H470 VanDerWaalsContact O-CD2 3.31Å
471L56.5Low53.4Low148 Ų148118.7 Ų118.778%0.77565%0.645SS**G310 helixtrans-111.77.8179.2-73.3166.2000113.4I468 D469I468-L471 PolarHBondContact O-N 3.48Å; D469-L471 VanDerWaalsContact C-N 3.33Å
472K56.5Low54Low149 Ų149123.6 Ų123.665%0.64866%0.655SS**SBendtrans-109.415.6-175.8-75.8-178.2-177.2163.20115.4
473T54.2Low54.4Low112 Ų112123.5 Ų123.569%0.68766%0.66SS**  trans-124.715-178.444.60000115.7
474D48.9Very low54.7Low158 Ų158121.3 Ų121.385%0.84566%0.66SS**  trans-111.374.8172.2-68.8-19.4000110.3
475T49.8Very low54.9Low207 Ų207124.2 Ų124.2100%1.2767%0.671SS**  trans-152.90159.4-27.70000106.8

Retrieved 475 of 475 residues in 115.1 ms (Link to these results)