A0A077Z6N7_TRITR Loading...

Cyclin N domain containing protein

AlphaFold DB , UniProt , Accession A0A077Z6N7, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 425 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
1M26.2Very low26.4Very low180 Ų180119.9 Ų119.989%0.88757%0.572SS**  0134.30-88.1-174.7164.100109.8I168M1-I168 HydrophobicContact CE-CD1 3.85Å
2R24.6Very low26.3Very low94 Ų94111.7 Ų111.736%0.35554%0.537SS..  trans-104.6116.5170.5-68.9159.7166.5172.1-14.2106.7I292 I293 D294R2-I292 PolarHBondContact NH2-O 3.38Å; R2-I293 VanDerWaalsContact NE-C 3.31Å; R2-I293 PolarHBondContact NE-O 2.58Å; R2-I293 VanDerWaalsContact NH2-C 3.26Å; R2-I293 PolarHBondContact NH2-O 3.45Å; R2-D294 IonicContact CZ-OD1 3.22Å; R2-D294 IonicContact NH1-OD1 2.88Å; R2-D294 VanDerWaalsContact NH2-CA 3.27Å; R2-D294 VanDerWaalsContact NH2-N 3.11Å; R2-D294 IonicContact NH2-OD1 3.18Å; R2-D294 PolarHBondContact NH2-OD1 3.36Å; R2-D294 IonicContact NH2-OD2 2.67Å; R2-D294 PolarHBondContact NH2-OD2 3.31Å
3R26Very low26.6Very low190 Ų190109.2 Ų109.272%0.71753%0.533SS*.  trans-114.8112.7168.1-108.1-174.6-179.7172.50.4109.3
4L25Very low26.5Very low72 Ų72107.7 Ų107.738%0.37755%0.547SS..  trans-44.9141.5147.7-103.5154.6000111Y288 M289 T290L4-Y288 HydrophobicContact CD1-CD2 4.23Å; L4-Y288 HydrophobicContact CD1-CE2 3.65Å; L4-Y288 HydrophobicContact CD2-CD2 3.24Å; L4-Y288 HydrophobicContact CD2-CE2 3.59Å; L4-Y288 HydrophobicContact CD2-CG 4.18Å; L4-Y288 HydrophobicContact CG-CD2 4.34Å; L4-Y288 HydrophobicContact CG-CE2 4.25Å; L4-M289 WeakPolarHBondContact CD2-O 3.42Å; L4-T290 VanDerWaalsContact CD2-CA 3.42Å; L4-T290 VanDerWaalsContact CD2-CB 3.49Å; L4-T290 WeakPolarHBondContact CG-OG1 3.33Å
5K28.1Very low26.4Very low79 Ų79104.5 Ų104.534%0.34355%0.552SS.*  trans-13394.8157.9-172.7174.817567.80108.9G8 H9 Y10K5-G8 PolarHBondContact NZ-O 3.37Å; K5-H9 PolarHBondContact NZ-O 2.96Å; K5-Y10 HydrophobicContact CD-CD1 4.18Å; K5-Y10 HydrophobicContact CD-CE1 3.5Å; K5-Y10 HydrophobicContact CD-CE2 4.19Å; K5-Y10 VanDerWaalsContact CE-CE2 3.4Å; K5-Y10 WeakPolarHBondContact CE-OH 3.12Å
6A28.1Very low26.5Very low50 Ų50102.3 Ų102.341%0.41356%0.562SS.*  trans-70165.1145.700000108.8Y288A6-Y288 HydrophobicContact CB-CG 4.4Å
7E29.1Very low26.5Very low200 Ų200108.4 Ų108.494%0.93558%0.582SS**SBendtrans-64.7150.1-166.4-60.7174.8143.700113.3
8G27.8Very low26.5Very low44 Ų44110.8 Ų110.845%0.45459%0.593SS.*SBendtrans91.1132.8-177.500000115.4K5K5-G8 PolarHBondContact NZ-O 3.37Å
9H26.6Very low26.5Very low182 Ų182115.8 Ų115.884%0.84360%0.603SS**  trans68.7135.7163.6-41.9-73.9000119.6K5K5-H9 PolarHBondContact NZ-O 2.96Å
10Y24.9Very low26.6Very low167 Ų167117 Ų11766%0.65561%0.61SS**  trans-143.7147-173.7-78.8-82.3000111.3K5K5-Y10 HydrophobicContact CD-CD1 4.18Å; K5-Y10 HydrophobicContact CD-CE1 3.5Å; K5-Y10 HydrophobicContact CD-CE2 4.19Å; K5-Y10 VanDerWaalsContact CE-CE2 3.4Å; K5-Y10 WeakPolarHBondContact CE-OH 3.12Å
11L24.1Very low26.7Very low61 Ų61118.8 Ų118.832%0.31962%0.619SS.*  trans-163.7144.3177.6-94.1126.9000113.7E171 Y174 Q176L11-E171 WeakPolarHBondContact CD2-O 3.21Å; L11-Y174 VanDerWaalsContact CD2-CB 3.47Å; L11-Y174 HydrophobicContact CD2-CD1 4.5Å; L11-Y174 HydrophobicContact CD2-CG 4.22Å; L11-Y174 VanDerWaalsContact CD2-O 3.25Å; L11-Y174 WeakPolarHBondContact CD2-O 3.36Å; L11-Q176 VanDerWaalsContact C-CD 3.45Å; L11-Q176 VanDerWaalsContact N-OE1 3.17Å; L11-Q176 PolarHBondContact O-NE2 3.04Å; L11-Q176 VanDerWaalsContact O-NE2 3.15Å; L11-Q176 PolarHBondContact O-OE1 3.12Å
12S25Very low26.7Very low21 Ų21113.3 Ų113.315%0.14761%0.609CS.*  trans-103.7157.5-170.7-105.90000115.4Y174 Q176 R177S12-Y174 VanDerWaalsContact O-CE1 3.26Å; S12-Y174 WeakPolarHBondContact O-CE1 3.42Å; S12-Q176 VanDerWaalsContact CA-NE2 3.3Å; S12-Q176 VanDerWaalsContact OG-CG 3.22Å; S12-Q176 WeakPolarHBondContact OG-CG 3.22Å; S12-Q176 PolarHBondContact OG-NE2 3.39Å; S12-R177 PolarHBondContact OG-O 3.48Å
13V30.2Very low26.9Very low80 Ų80115 Ų11549%0.48563%0.629SS.*  70.312064.7-167.20000117.1Y174 H179V13-Y174 PolarHBondContact O-OH 3.37Å; V13-Y174 VanDerWaalsContact O-OH 3.05Å; V13-H179 HydrophobicContact CG1-CB 4.32Å; V13-H179 WeakPolarHBondContact CG1-CD2 3.43Å
14A25Very low26.8Very low88 Ų88115 Ų11573%0.72764%0.637SS**  trans-139.4157.3157.700000108.9
15G25.7Very low27Very low60 Ų60114.9 Ų114.962%0.61965%0.653SS**  cis-161.7-167.7-8.100000107.5
16G26.9Very low26.9Very low69 Ų69117.7 Ų117.771%0.71168%0.681SS**  cis169.1140-9.500000109.7
17F27.3Very low26.7Very low206 Ų206124 Ų12490%0.90470%0.702SS**  trans-166.5149.3149.2-132.5-102.4000110.4
18L25.9Very low26.7Very low151 Ų151122.9 Ų122.979%0.79170%0.701SS**  trans-98147-166.3-67.3155.1000113
19R28.1Very low26.6Very low206 Ų206130 Ų13078%0.77771%0.714SS**  171.5137.5109.8-93.4175.2-124.4-127.13.3113.7
20N26.9Very low26.8Very low139 Ų139127.5 Ų127.574%0.74372%0.715SS**  trans63.5136138.7-63.98.7000118.9
21I28.6Very low27Very low156 Ų156125.1 Ų125.180%0.871%0.713SS**  cis-149.7170.511.3-96.4143.7000109.3
22G26.2Very low27.5Very low65 Ų65129.8 Ų129.867%0.6774%0.737SS**  trans-65.1-179-179.200000116
23V29.1Very low28.3Very low128 Ų128134.5 Ų134.578%0.77677%0.767SS**  -168.9122.357.2163.40000107.4
24Q25.4Very low28.7Very low192 Ų192135.2 Ų135.290%0.89778%0.781SS**  85.1127.890.6-151.7-179.334.400117.4
25G27.2Very low29.3Very low69 Ų69139.1 Ų139.171%0.71178%0.784SS**  trans92.5144.917100000116.1
26C26.8Very low29.9Very low138 Ų138145.2 Ų145.293%0.93279%0.794SS**  cis-150.8168.3-0.7-80.40000111.8
27H24.6Very low30.7Very low183 Ų183146.9 Ų146.985%0.84779%0.793SS**  trans-86.5162.9-175.7-101.5-84.7000115.2
28L28.4Very low31.3Very low176 Ų176145.4 Ų145.492%0.92179%0.788SS**  trans-163.3154.9131-103.7164.9000112.1
29R26.2Very low31.9Very low192 Ų192143.1 Ų143.173%0.72578%0.781SS**  trans-154147.7-171.4-167.7-166.1-150.2-176.87.8109.4
30P30.2Very low32.3Very low131 Ų131142.5 Ų142.585%0.85178%0.784SS**  trans-128.2162.4144.47.315.1000113.3
31L28.7Very low32.8Very low117 Ų117141.9 Ų141.961%0.61379%0.785SS**  trans-155.2143.7-171.4-130.3176.4000109.7
32L35.8Very low33.4Very low158 Ų158145.7 Ų145.783%0.82779%0.789SS**  trans118.3140.3153.4-65168.2000118.7
33P42.3Very low34.2Very low120 Ų120147.1 Ų147.178%0.77979%0.786SS**  trans-127.4-156.7179.846.8-32.8000114.4
34A37.5Very low34.5Very low95 Ų95149 Ų14979%0.78579%0.787SS**  trans88.4150.3173.700000114.8
35E38.8Very low35Very low170 Ų170144.5 Ų144.579%0.79477%0.772SS**  cis-142.5143.515.6-79.9-166.6123.200110.2
36K38Very low35.2Very low188 Ų188149.3 Ų149.382%0.81778%0.776SS**  96.7169.871.9-120.6-165.6-176.3177.30113.3
37P43.9Very low35.4Very low105 Ų105148.4 Ų148.468%0.68276%0.758SS**  -132.6-167.5-118.544.3-25.3000116.1
38E38.4Very low35.5Very low175 Ų175146.1 Ų146.182%0.81875%0.748SS**  trans148.8154.5150-87.4-171.2-155.200112.3
39T39.2Very low35.7Very low102 Ų102140.3 Ų140.363%0.62672%0.72SS**  cis-156169.3-11.41.70000111.1
40K36.6Very low35.8Very low193 Ų193138.3 Ų138.384%0.83972%0.719SS**  trans70144.8149.5-81.2170.8179.7171.80118.8
41V37.1Very low35.6Very low127 Ų127138.6 Ų138.677%0.7771%0.713SS**  cis-143.9124.60.9172.70000106.5
42R41.1Very low35.5Very low236 Ų236138.4 Ų138.489%0.89172%0.721SS**  82.2157.280.4-109.6-159.4-172.3-1603.2115.2
43P42.8Very low35Very low94 Ų94141 Ų14161%0.6172%0.72SS**  -136.1-138.9-111.444.8-24.3000114.1
44H35.5Very low34.2Very low169 Ų169139.9 Ų139.978%0.78272%0.721SS**  trans117135.4171.6-66.5-65.8000112.8
45T35.3Very low33.7Very low96 Ų96143 Ų14359%0.58972%0.723SS**  cis-164137.2-4.8-100.70000109.5
46E31.4Very low32.9Very low170 Ų170140.6 Ų140.679%0.79472%0.723SS**  trans38.5147.4142.3-52159.817600120.8
47E32.3Very low32.2Very low120 Ų120136.2 Ų136.256%0.56172%0.716SS**  cis-154.4172.125.8-72.5-171.313500113.7T115E47-T115 HydrophobicContact CB-CG2 3.74Å; E47-T115 WeakPolarHBondContact CB-OG1 3.41Å; E47-T115 HydrophobicContact CG-CG2 4.35Å; E47-T115 WeakPolarHBondContact OE2-CB 3.46Å; E47-T115 WeakPolarHBondContact OE2-CG2 3.06Å; E47-T115 PolarHBondContact OE2-OG1 2.8Å
48E25.7Very low31.2Very low135 Ų135137.2 Ų137.263%0.63171%0.712SS**  trans-104.3-77.7-175.5-160.2-147.6115.300119.5G114 T115E48-G114 CarbonylContact O-C 3.41Å; E48-G114 PolarHBondContact O-N 2.78Å; E48-G114 VanDerWaalsContact O-O 3.13Å; E48-T115 PolarHBondContact O-N 2.83Å
49P32.5Very low30.6Very low53 Ų53132.4 Ų132.434%0.34469%0.694SS.*  -111.8141.6-116.834-29.3000119.6
50Q28Very low29.7Very low150 Ų150134.4 Ų134.470%0.70170%0.696SS**  trans77.4148.1133.2-70.4168.539.600123.7
51L26.5Very low29.1Very low137 Ų137130.8 Ų130.872%0.71769%0.686SS**  trans94.4101.5137.2-118.9110.5000121.7
52S27.3Very low28.5Very low113 Ų113133.3 Ų133.379%0.7969%0.689SS**  trans-154.795.6134.956.30000110.6
53R25Very low27.6Very low213 Ų213126.5 Ų126.580%0.80467%0.67SS**  49.198104.8-84.6-176.7166.4168.7-3.3115.4
54A25.5Very low26.7Very low96 Ų96127.1 Ų127.179%0.79368%0.677SS**  trans-14782.4151.900000111.6
55I26.4Very low26.1Very low162 Ų162124.4 Ų124.483%0.83167%0.667SS**  trans33.1106.6147.1-51.6174.9000117.4
56C21.5Very low25.6Very low118 Ų118128.7 Ų128.780%0.79768%0.681SS**  trans-86.6124.3163.7-179.80000110.5
57S25Very low25.4Very low96 Ų96129.2 Ų129.267%0.67168%0.683SS**  trans-108.6124.2170.251.80000110.9
58Q22.1Very low25.1Very low127 Ų127130.2 Ų130.259%0.59369%0.692SS**  trans-99.4135.2-178.7-66.9-176.78.400111.4K138Q58-K138 HydrophobicContact CB-CD 4.1Å; Q58-K138 HydrophobicContact CG-CD 4.19Å
59V25.2Very low25.2Very low73 Ų73131.5 Ų131.544%0.44270%0.703SS.*  trans-143.6147.5154.3-174.60000109.6P136 K138V59-P136 HydrophobicContact CB-CG 3.99Å; V59-P136 HydrophobicContact CG2-CG 3.81Å; V59-K138 WeakPolarHBondContact O-CB 3.49Å; V59-K138 PolarHBondContact O-N 3.03Å
60E21.2Very low25Very low144 Ų144137.7 Ų137.767%0.67373%0.73SS**  trans-95163.9-166-67.4170.1151.500113.8K138E60-K138 HydrophobicContact CG-CD 4.08Å; E60-K138 IonicContact OE1-NZ 3.15Å; E60-K138 PolarHBondContact OE1-NZ 3.23Å
61L24.1Very low25.1Very low117 Ų117139.4 Ų139.461%0.61374%0.736SS**  trans-132128.2167.7-93.5169000109.4F137L61-F137 HydrophobicContact CD1-CB 3.89Å
62E23.4Very low25.3Very low180 Ų180141.6 Ų141.684%0.84174%0.742SS**  trans-67.2143.5178.1-69.8-179.3116.200112.4
63L23.1Very low25.5Very low93 Ų93147.6 Ų147.649%0.48775%0.747SS.*  trans-108.691.6169.5-75.6172.5000109.5L65 L153L63-L65 PolarHBondContact O-N 3.22Å; L63-L153 HydrophobicContact CD1-CD2 4.23Å; L63-L153 HydrophobicContact CD2-CD2 3.65Å
64S23.1Very low25.8Very low108 Ų108141.2 Ų141.276%0.75574%0.74SS**  trans-68.9115171.8-540000110.5
65L23.7Very low26Very low112 Ų112144.6 Ų144.659%0.58674%0.744SS**  trans-88.9110165.5-78.7161000108L63L63-L65 PolarHBondContact O-N 3.22Å
66E25Very low26.2Very low186 Ų186141.2 Ų141.287%0.86974%0.735SS**  trans-118.9126.6177.8-148.2166.2-146.800108.9
67E27Very low26.7Very low180 Ų180147.5 Ų147.584%0.84174%0.742SS**  trans-79.4151.3-171.9-62.8-174.2145.200112
68D25.7Very low26.8Very low141 Ų141147.5 Ų147.575%0.75474%0.742SS**SBendtrans-55.7134.7-171-69-66.7000113.9
69N28.7Very low27Very low162 Ų162148 Ų14887%0.86676%0.756SS**  trans-171.8-6.7153.4-102-44.7000118.4
70M27.6Very low27.2Very low183 Ų183149.5 Ų149.590%0.90177%0.77SS**SBendtrans-95.5-5.5-159.2-76.5-120.5-76.700119.8
71F29.2Very low27.6Very low187 Ų187147.3 Ų147.382%0.8278%0.777SS**SBendtrans-100.9-8.7-168-121.2-91.1000118.1R73F71-R73 VanDerWaalsContact C-N 3.31Å; F71-R73 PolarHBondContact O-N 2.92Å
72E31.8Very low27.8Very low183 Ų183151.5 Ų151.586%0.85579%0.79SS**G310 helixtrans-68.2-21.5-178.3-91.7-87.9121.200114.5A74E72-A74 PolarHBondContact O-N 3.5Å
73R31.8Very low28Very low238 Ų238150.7 Ų150.790%0.89879%0.791SS**G310 helixtrans-86-4-169.2-79.5-176.4174.5144.61.1116.7F71F71-R73 VanDerWaalsContact C-N 3.31Å; F71-R73 PolarHBondContact O-N 2.92Å
74A30.4Very low28.3Very low80 Ų80152 Ų15266%0.66181%0.808SS**G310 helixtrans-94.4-12.9-169.900000115.9E72E72-A74 PolarHBondContact O-N 3.5Å
75L31Very low28.5Very low167 Ų167158.9 Ų158.987%0.87482%0.817SS**SBendtrans-101.17.6-168.2-76.5168.3000115.6
76S28.9Very low28.8Very low91 Ų91159 Ų15964%0.63683%0.828SS**  trans-117.971-176.654.30000114
77R31.9Very low29.1Very low250 Ų250159 Ų15994%0.94383%0.827SS**SBendtrans-154.8154.8156.1-102.1138.6-160.2-114.34.7111.7
78S28.1Very low29.3Very low96 Ų96162.2 Ų162.267%0.67183%0.832SS**  trans-72.8153.5-147.350.40000117.5S80S78-S80 PolarHBondContact O-N 3.46Å
79P26.7Very low29.4Very low138 Ų138161.3 Ų161.390%0.89684%0.836SS**  trans-81.899175.733.2-33.6000112.2
80S28.4Very low29.4Very low104 Ų104164.8 Ų164.873%0.72784%0.837SS**  trans-152.962.7173.862.10000112.7S78S78-S80 PolarHBondContact O-N 3.46Å
81A30.7Very low29.5Very low98 Ų98163.9 Ų163.981%0.8183%0.831SS**  trans-153.147.117500000112.8
82F27.1Very low29.3Very low204 Ų204165.7 Ų165.790%0.89583%0.834SS**  trans-79.2149.6159.4-109-105.1000109
83L28.6Very low29.3Very low163 Ų163162.8 Ų162.885%0.85383%0.829SS**SBendtrans74.272.5-179.5-49.1174.5000116.8
84S28.3Very low29.3Very low122 Ų122160.3 Ų160.385%0.85383%0.825SS**  trans174.968.5143.441.50000112.8
85R28.8Very low29.3Very low252 Ų252163.1 Ų163.195%0.95183%0.829SS**  trans-139.637.6173-124.5179.8-167.5-154.44.1115.6
86S28.6Very low29.4Very low115 Ų115164.5 Ų164.580%0.80483%0.828SS**SBendtrans-103.2109.5159.1-175.80000108.7
87Q32Very low29.5Very low184 Ų184167.7 Ų167.786%0.8683%0.833SS**SBendtrans156.1-18154.2-90.5179.8-13.100115
88R30.2Very low29.2Very low248 Ų248165.8 Ų165.894%0.93683%0.825SS**THydrogen-bonded Turntrans-93.213.5-165.8-102.5-172.7-174.3-160.22.8119.1
89S28.5Very low29.2Very low122 Ų122167.9 Ų167.985%0.85383%0.827SS**THydrogen-bonded Turntrans-89.5-2.1-179.8-151.50000115.3Q91S89-Q91 PolarHBondContact O-N 3.19Å
90R29.2Very low29.2Very low235 Ų235165.8 Ų165.889%0.88782%0.816SS**SBendtrans-93.287.9173.8-67.8-178.7178.9178.7-1.1110
91Q28.7Very low29Very low165 Ų165168.1 Ų168.177%0.77182%0.816SS**SBendtrans-167.5-21153.8-150.358.512.300115.1S89 T93S89-Q91 PolarHBondContact O-N 3.19Å; Q91-T93 PolarHBondContact O-N 3.44Å
92Y26.8Very low28.8Very low224 Ų224168.5 Ų168.588%0.87881%0.808SS**  trans-96.170.2-175.9-79.9-84.2000113.6
93T30Very low28.7Very low122 Ų122167.9 Ų167.975%0.74881%0.805SS**  trans-136.51.2175.747.70000116.2Q91Q91-T93 PolarHBondContact O-N 3.44Å
94K31.7Very low28.4Very low187 Ų187164.8 Ų164.881%0.81380%0.797SS**SBendtrans-94.9-26.1-177.3-76.8-167.8171-1730116.8
95D30.8Very low28.2Very low138 Ų138169.6 Ų169.674%0.73880%0.798SS**G310 helixtrans-93.4-6.6-172.6-60.2-40.8000115.4Q97D95-Q97 VanDerWaalsContact C-N 3.25Å; D95-Q97 PolarHBondContact O-N 3.1Å
96K33.3Very low27.9Very low197 Ų197164.6 Ų164.686%0.85779%0.79SS**G310 helixtrans-75.3-9-179.2-93-171.3173.5-175.90114.8
97Q31.4Very low27.7Very low158 Ų158164.1 Ų164.174%0.73878%0.782SS**G310 helixtrans-90.1-5.5-171.8-146.1164.50.300114.1D95D95-Q97 VanDerWaalsContact C-N 3.25Å; D95-Q97 PolarHBondContact O-N 3.1Å
98R26.1Very low27.3Very low209 Ų209163.1 Ų163.179%0.78978%0.782SS**SBendtrans-101.4-6-175.1-105.5-177.3174.4-178.7-2.2116.5
99I27.6Very low27Very low140 Ų140158.9 Ų158.972%0.71878%0.775SS**SBendtrans-97.5-14.2-173.4-59.5178.2000112E101I99-E101 VanDerWaalsContact C-N 3.34Å
100S27.7Very low27Very low95 Ų95158.6 Ų158.666%0.66477%0.77SS**G310 helixtrans-75.7-15.3174.939.40000114.7
101E23.8Very low26.9Very low153 Ų153157.6 Ų157.672%0.71577%0.772SS**G310 helixtrans-91.35-169.5-65.1-177.6143.700115I99I99-E101 VanDerWaalsContact C-N 3.34Å
102V25.3Very low27Very low106 Ų106154.6 Ų154.664%0.64278%0.775SS**G310 helixtrans-106.1-5.9-173.1-176.30000113.7
103F25.5Very low27.4Very low190 Ų190149.3 Ų149.383%0.83377%0.771SS**SBendtrans-134.760.2-178.3-68.1-77.4000113.6
104S23Very low27.6Very low99 Ų99145.9 Ų145.969%0.69276%0.76SS**  trans-149.7100152.9-116.50000108.7
105Y22.7Very low27.8Very low223 Ų223139.4 Ų139.488%0.87574%0.736SS**  trans-129101.4157.1-119.2-87.1000106.6V107Y105-V107 PolarHBondContact O-N 2.87Å
106D22.9Very low28.1Very low146 Ų146138 Ų13878%0.78173%0.733SS**  trans-67.8120.4172.7-66.9-58.6000108.8
107V24.7Very low28.2Very low105 Ų105134.3 Ų134.364%0.63673%0.732SS**  trans-128.699.4162.4-175.50000108.2Y105 M109Y105-V107 PolarHBondContact O-N 2.87Å; V107-M109 HydrophobicContact CG1-CE 3.64Å
108L24.1Very low28.3Very low163 Ų163129.7 Ų129.785%0.85373%0.727SS**  trans-55.2132.5167.3-70.9154.9000109.9
109M24Very low28.7Very low160 Ų160126.6 Ų126.679%0.78873%0.726SS**  trans-116108.4171.8-78.5-74.6120.100110.2V107V107-M109 HydrophobicContact CG1-CE 3.64Å
110P27.7Very low28.9Very low116 Ų116125.1 Ų125.175%0.75372%0.72SS**  trans-82.2153.2167.833.1-31.8000111.6
111K27.3Very low29.2Very low213 Ų213127.8 Ų127.893%0.92673%0.726SS**  trans-77.6138174.5-69.8174170.1178.20111.8
112A30.3Very low29.4Very low102 Ų102127.7 Ų127.784%0.84373%0.73SS**  -179.4149.4129.900000113.8
113S35.2Very low29.7Very low114 Ų114129.3 Ų129.380%0.79773%0.734SS**  trans-46.4156.817646.70000121.6
114G34.8Very low29.6Very low50 Ų50128 Ų12852%0.51573%0.731SS.*  trans153.2131.415300000118.8E48E48-G114 CarbonylContact O-C 3.41Å; E48-G114 PolarHBondContact O-N 2.78Å; E48-G114 VanDerWaalsContact O-O 3.13Å
115T35.5Very low29.8Very low50 Ų50128.7 Ų128.731%0.30774%0.736SS.*  trans-63.9170169.814.90000115.1E47 E48E47-T115 HydrophobicContact CB-CG2 3.74Å; E47-T115 WeakPolarHBondContact CB-OG1 3.41Å; E47-T115 HydrophobicContact CG-CG2 4.35Å; E47-T115 WeakPolarHBondContact OE2-CB 3.46Å; E47-T115 WeakPolarHBondContact OE2-CG2 3.06Å; E47-T115 PolarHBondContact OE2-OG1 2.8Å; E48-T115 PolarHBondContact O-N 2.83Å
116T37.3Very low29.8Very low109 Ų109130.1 Ų130.167%0.66974%0.739SS**  cis-161.7159.68.940000110.9
117S34.4Very low30.1Very low120 Ų120129.1 Ų129.184%0.83974%0.744SS**  trans22.8140.6144.6-167.20000122.1
118G33.9Very low30.3Very low61 Ų61129 Ų12963%0.62975%0.748SS**  cis173.4179.95.300000113.2
119D35.2Very low30.5Very low143 Ų143129.2 Ų129.277%0.76574%0.744SS**  trans63114.2169.4-57.8-29.8000121.1
120N32Very low30.9Very low110 Ų110132.1 Ų132.159%0.58875%0.753SS**  77132.892.1-53.5-31.4000113.2
121D34.7Very low30.9Very low151 Ų151131.5 Ų131.581%0.80776%0.757SS**  cis-155.9-178.332.7-97.7-48000115.4
122L27.3Very low30.8Very low151 Ų151125 Ų12579%0.79175%0.751SS**  trans-63.1160.7178-82.678.1000114.9
123L30.4Very low30.8Very low140 Ų140126.7 Ų126.773%0.73375%0.75SS**  -176.6155.164.5-161.6105.4000114.3
124E25.4Very low30.5Very low163 Ų163123.5 Ų123.576%0.76274%0.736SS**  trans-15.2144.3169.1-58.9175.3136.300123.4
125S26.5Very low30.1Very low113 Ų113126.5 Ų126.579%0.7975%0.746SS**  175132.297.948.10000118
126R23Very low29.9Very low252 Ų252126.9 Ų126.995%0.95175%0.75SS**  trans40.5118.1148-70.3178.2165.1171.6-5123.3
127S28.1Very low29.3Very low125 Ų125128.7 Ų128.787%0.87475%0.748SS**  trans-148.7139.2138.760.20000112.7
128S29.4Very low29Very low103 Ų103126.8 Ų126.872%0.7273%0.725SS**  trans-73.3133.4-160.3-149.70000118
129E28.6Very low28.6Very low168 Ų168131.5 Ų131.579%0.78574%0.735SS**  trans39.6104.4136.7-59.6-178.4137.700121.6
130F31.4Very low28.2Very low221 Ų221128.4 Ų128.497%0.96972%0.724SS**  trans-116.3106.6137.2-110.1-94.8000107.8
131A28.4Very low28Very low102 Ų102129 Ų12984%0.84374%0.736SS**  trans-88.2129.6-168.500000113.2
132G26.2Very low27.9Very low77 Ų77125.6 Ų125.679%0.79472%0.717SS**  trans173.219176.800000115.4G134G132-G134 PolarHBondContact O-N 2.73Å
133V29.6Very low28.1Very low137 Ų137124.5 Ų124.583%0.8372%0.722SS**  trans-74.4114.2-173.9178.20000110.4
134G27.6Very low28.3Very low47 Ų47120.2 Ų120.249%0.48570%0.704SS.*PPolyproline II helixtrans-73.6149.7161.700000110.6G132G132-G134 PolarHBondContact O-N 2.73Å
135P27.7Very low29Very low113 Ų113115.6 Ų115.673%0.73469%0.694SS**PPolyproline II helixtrans-64.1137.8-174.926.6-34.5000111.4
136P30.2Very low29.5Very low59 Ų59116.5 Ų116.538%0.38369%0.69SS.*PPolyproline II helixtrans-67.9148.7172.929.2-32.8000110.2V59V59-P136 HydrophobicContact CB-CG 3.99Å; V59-P136 HydrophobicContact CG2-CG 3.81Å
137F26.3Very low30.6Very low147 Ų147108 Ų10865%0.64567%0.669SS**  trans-110.3136-178.559.9-89.4000111.7L61L61-F137 HydrophobicContact CD1-CB 3.89Å
138K26.5Very low31.5Very low79 Ų79103.3 Ų103.334%0.34363%0.634SS.*  trans-108.2124.4177-179.3-177.9174.2-170.40109.9Q58 V59 E60 S140Q58-K138 HydrophobicContact CB-CD 4.1Å; Q58-K138 HydrophobicContact CG-CD 4.19Å; V59-K138 WeakPolarHBondContact O-CB 3.49Å; V59-K138 PolarHBondContact O-N 3.03Å; E60-K138 HydrophobicContact CG-CD 4.08Å; E60-K138 IonicContact OE1-NZ 3.15Å; E60-K138 PolarHBondContact OE1-NZ 3.23Å; K138-S140 PolarHBondContact O-N 3Å
139L26.7Very low32.1Very low160 Ų160101.5 Ų101.584%0.83862%0.618SS**  trans-81111.2171.7-73.1170.6000109.7
140S26.5Very low32.7Very low78 Ų7896.8 Ų96.855%0.54561%0.614SS.*  trans-75.3121170.354.50000110.6K138 L142K138-S140 PolarHBondContact O-N 3Å; S140-L142 PolarHBondContact O-N 2.71Å
141C27.2Very low33.2Very low122 Ų12291.5 Ų91.582%0.82459%0.588SS**  trans-68.3120166.6-172.80000109S143C141-S143 PolarHBondContact O-N 3.32Å
142L32.5Very low33.7Very low81 Ų8195.2 Ų95.242%0.42458%0.58SS.*  trans-77.6103.3175.1-74.7151.2000108.3S140 S144 L148 L153S140-L142 PolarHBondContact O-N 2.71Å; L142-S144 PolarHBondContact O-N 3.26Å; L142-L148 HydrophobicContact CB-CD1 3.89Å; L142-L148 HydrophobicContact CD1-CD1 3.68Å; L142-L148 HydrophobicContact CD1-CD2 4.36Å; L142-L148 HydrophobicContact CD2-CD1 4.22Å; L142-L148 HydrophobicContact CG-CD1 4.11Å; L142-L153 HydrophobicContact CD1-CD1 4.36Å
143S31.9Very low34.5Very low128 Ų12893.8 Ų93.890%0.89555%0.554SS**SBendtrans-70.2-12.6-170.954.40000115C141C141-S143 PolarHBondContact O-N 3.32Å
144S35.4Very low34.9Very low50 Ų5089 Ų8935%0.3553%0.529SS..  trans-133.2127.3167.6171.90000108.9L142 D146L142-S144 PolarHBondContact O-N 3.26Å; S144-D146 VanDerWaalsContact C-N 3.33Å; S144-D146 PolarHBondContact OG-N 2.92Å; S144-D146 PolarHBondContact OG-OD2 3.33Å
145A38.3Very low35.7Very low66 Ų6690.6 Ų90.655%0.54553%0.526SS..SBendtrans-80.7-16.8175.900000112.7S147 L148A145-S147 PolarHBondContact O-N 3.12Å; A145-L148 PolarHBondContact O-N 3.42Å
146D38.2Very low36.2Very low132 Ų13288.2 Ų88.271%0.70651%0.509SS*.G310 helixtrans-72.1-35.5-166.5-54.9-45.2000112.4S144 L148 V149S144-D146 VanDerWaalsContact C-N 3.33Å; S144-D146 PolarHBondContact OG-N 2.92Å; S144-D146 PolarHBondContact OG-OD2 3.33Å; D146-L148 PolarHBondContact O-N 2.88Å; D146-V149 WeakPolarHBondContact O-CB 3.37Å; D146-V149 PolarHBondContact O-N 2.82Å
147S46.8Very low36.5Very low73 Ų7392 Ų9251%0.5152%0.52SS..G310 helixtrans-74.5-5.2179670000114.6A145 R151A145-S147 PolarHBondContact O-N 3.12Å; S147-R151 WeakPolarHBondContact O-CD 3.38Å; S147-R151 PolarHBondContact O-NH1 3.43Å
148L46Very low37.1Very low27 Ų2796.9 Ų96.914%0.14153%0.534CS..G310 helixtrans-102.7-16.5-177.5-66.8165.9000112.7L142 A145 D146 G150 R151 I167L142-L148 HydrophobicContact CB-CD1 3.89Å; L142-L148 HydrophobicContact CD1-CD1 3.68Å; L142-L148 HydrophobicContact CD1-CD2 4.36Å; L142-L148 HydrophobicContact CD2-CD1 4.22Å; L142-L148 HydrophobicContact CG-CD1 4.11Å; A145-L148 PolarHBondContact O-N 3.42Å; D146-L148 PolarHBondContact O-N 2.88Å; L148-G150 PolarHBondContact O-N 2.84Å; L148-R151 WeakPolarHBondContact O-CB 3.29Å; L148-R151 PolarHBondContact O-N 3.37Å; L148-I167 HydrophobicContact CB-CB 4.37Å; L148-I167 HydrophobicContact CB-CD1 3.69Å; L148-I167 HydrophobicContact CB-CG2 3.84Å; L148-I167 HydrophobicContact CD1-CD1 4.46Å; L148-I167 HydrophobicContact CD2-CD1 3.96Å; L148-I167 HydrophobicContact CG-CD1 4.25Å; L148-I167 WeakPolarHBondContact O-CB 3.46Å
149V43Very low37.7Very low65 Ų6596.5 Ų96.539%0.39455%0.552SS.*THydrogen-bonded Turntrans-51.9121.8177.8163.90000110.9D146 R151 P169D146-V149 WeakPolarHBondContact O-CB 3.37Å; D146-V149 PolarHBondContact O-N 2.82Å; V149-R151 VanDerWaalsContact C-N 3.29Å; V149-R151 PolarHBondContact O-N 2.86Å; V149-P169 HydrophobicContact CB-CB 4.49Å; V149-P169 HydrophobicContact CG1-CB 4.01Å; V149-P169 HydrophobicContact CG1-CG 3.77Å; V149-P169 HydrophobicContact CG2-CB 3.68Å; V149-P169 HydrophobicContact CG2-CG 4.34Å
150G40.3Very low38.1Very low68 Ų6893.5 Ų93.570%0.70154%0.54SS*.THydrogen-bonded Turntrans84.4-13.1-178.100000115.2L148 I167L148-G150 PolarHBondContact O-N 2.84Å; G150-I167 PolarHBondContact N-O 3.4Å
151R41Very low38.6Very low110 Ų11093.8 Ų93.842%0.41554%0.54SS..  trans-83.8158.5179.5-67.1-178.3163.5175.4-10112.6S147 L148 V149 I167S147-R151 WeakPolarHBondContact O-CD 3.38Å; S147-R151 PolarHBondContact O-NH1 3.43Å; L148-R151 WeakPolarHBondContact O-CB 3.29Å; L148-R151 PolarHBondContact O-N 3.37Å; V149-R151 VanDerWaalsContact C-N 3.29Å; V149-R151 PolarHBondContact O-N 2.86Å; R151-I167 PolarHBondContact O-N 3.23Å
152R39.1Very low39.2Very low180 Ų18090.9 Ų90.968%0.67953%0.525SS*.EExtended strand (participates in β ladder)trans-100.4134.2171.3-64.5-175.5-177.6-173.44.5110V164 F165R152-V164 HydrophobicContact CB-CG1 3.95Å; R152-F165 CarbonylContact C-O 3.54Å; R152-F165 WeakPolarHBondContact CA-O 3.41Å; R152-F165 WeakPolarHBondContact CB-O 3.34Å
153L43.4Very low39.5Very low48 Ų4890 Ų9025%0.25152%0.522SS..EExtended strand (participates in β ladder)trans-103.5114.8177.1-114.4175.8000108.5L63 L142 V164 F165 I167L63-L153 HydrophobicContact CD1-CD2 4.23Å; L63-L153 HydrophobicContact CD2-CD2 3.65Å; L142-L153 HydrophobicContact CD1-CD1 4.36Å; L153-V164 CarbonylContact O-C 3.6Å; L153-V164 WeakPolarHBondContact O-CA 3.42Å; L153-F165 HydrophobicContact CB-CB 4.08Å; L153-F165 HydrophobicContact CB-CD2 4.5Å; L153-F165 PolarHBondContact N-O 3.2Å; L153-F165 PolarHBondContact O-N 3.34Å; L153-I167 HydrophobicContact CB-CD1 4.07Å; L153-I167 HydrophobicContact CD1-CD1 3.57Å; L153-I167 HydrophobicContact CD1-CG1 4.38Å; L153-I167 HydrophobicContact CG-CD1 3.75Å
154A37.4Very low39.8Very low36 Ų3687.9 Ų87.930%0.29850%0.504SS..EExtended strand (participates in β ladder)trans-98.8123.8173.700000110.5V156 V163 V164A154-V156 HydrophobicContact CB-CG2 4.21Å; A154-V163 CarbonylContact C-O 3.46Å; A154-V163 WeakPolarHBondContact CA-O 3.43Å; A154-V164 HydrophobicContact CB-CG2 4.14Å
155I44.3Very low39.9Very low81 Ų8190 Ų9042%0.41551%0.507SS..EExtended strand (participates in β ladder)trans-82.6114.7160.9-63.9179.2000106.6F157 A162 V163 F165I155-F157 HydrophobicContact CG2-CD2 4.34Å; I155-A162 PolarHBondContact O-N 3.48Å; I155-V163 HydrophobicContact CB-CB 4.48Å; I155-V163 PolarHBondContact N-O 3.02Å; I155-V163 PolarHBondContact O-N 3.3Å; I155-F165 HydrophobicContact CD1-CE2 3.62Å; I155-F165 HydrophobicContact CD1-CZ 4.21Å; I155-F165 HydrophobicContact CG1-CE2 3.92Å
156V38.3Very low40Very low63 Ų6389.8 Ų89.838%0.38250%0.502SS..EExtended strand (participates in β ladder)trans-103.3128179.8-177.60000109.3A154 G159 V160 P161A154-V156 HydrophobicContact CB-CG2 4.21Å; V156-G159 VanDerWaalsContact CG1-C 3.45Å; V156-V160 CarbonylContact C-O 3.04Å; V156-V160 WeakPolarHBondContact CA-O 3.31Å; V156-P161 HydrophobicContact CG2-CB 4.5Å
157F37.3Very low39.9Very low139 Ų13985.4 Ų85.461%0.6148%0.478SS*.EExtended strand (participates in β ladder)trans-113.2119.2172.6-110.6-93000108.8I155 G159 V160 A162I155-F157 HydrophobicContact CG2-CD2 4.34Å; F157-G159 VanDerWaalsContact C-N 3.31Å; F157-G159 PolarHBondContact O-N 2.81Å; F157-V160 PolarHBondContact N-O 3.41Å; F157-V160 PolarHBondContact O-N 3.05Å; F157-A162 HydrophobicContact CB-CB 4.26Å; F157-A162 HydrophobicContact CD2-CB 4.44Å
158R39.6Very low39.5Very low249 Ų24986.9 Ų86.994%0.9448%0.479SS*.THydrogen-bonded Turntrans5046.2-179.9-66.4-176.8163.5176.1-5.4113.6V160R158-V160 PolarHBondContact O-N 3.33Å
159G38.7Very low39Very low71 Ų7189 Ų8973%0.73250%0.495SS*.THydrogen-bonded Turntrans74.6-2.1-17800000115.4V156 F157V156-G159 VanDerWaalsContact CG1-C 3.45Å; F157-G159 VanDerWaalsContact C-N 3.31Å; F157-G159 PolarHBondContact O-N 2.81Å
160V34.4Very low38.8Very low97 Ų9789.8 Ų89.859%0.58851%0.508SS*.EExtended strand (participates in β ladder)trans-105123.8177.4-174.10000109.8V156 F157 R158 A162V156-V160 CarbonylContact C-O 3.04Å; V156-V160 WeakPolarHBondContact CA-O 3.31Å; F157-V160 PolarHBondContact N-O 3.41Å; F157-V160 PolarHBondContact O-N 3.05Å; R158-V160 PolarHBondContact O-N 3.33Å; V160-A162 PolarHBondContact O-N 3.41Å; V160-A162 VanDerWaalsContact O-N 3.09Å
161P38.3Very low38.6Very low83 Ų8392.3 Ų92.354%0.53950%0.501SS..EExtended strand (participates in β ladder)trans-64.4112.3175.425.7-33000110.4V156V156-P161 HydrophobicContact CG2-CB 4.5Å
162A38.4Very low38.1Very low61 Ų6192.9 Ų92.950%0.50452%0.519SS..EExtended strand (participates in β ladder)trans-85.7-37.5-178.300000112.6I155 F157 V160I155-A162 PolarHBondContact O-N 3.48Å; F157-A162 HydrophobicContact CB-CB 4.26Å; F157-A162 HydrophobicContact CD2-CB 4.44Å; V160-A162 PolarHBondContact O-N 3.41Å; V160-A162 VanDerWaalsContact O-N 3.09Å
163V38.6Very low37.9Very low62 Ų6293.6 Ų93.638%0.37653%0.528SS..EExtended strand (participates in β ladder)trans-147136177.9-170.60000109.8A154 I155 F165A154-V163 CarbonylContact C-O 3.46Å; A154-V163 WeakPolarHBondContact CA-O 3.43Å; I155-V163 HydrophobicContact CB-CB 4.48Å; I155-V163 PolarHBondContact N-O 3.02Å; I155-V163 PolarHBondContact O-N 3.3Å; V163-F165 HydrophobicContact CB-CE2 3.92Å; V163-F165 HydrophobicContact CB-CZ 4.24Å; V163-F165 HydrophobicContact CG1-CD2 4.18Å; V163-F165 HydrophobicContact CG1-CE1 4.13Å; V163-F165 HydrophobicContact CG1-CE2 3.5Å; V163-F165 HydrophobicContact CG1-CZ 3.49Å; V163-F165 VanDerWaalsContact CG1-CZ 3.49Å
164V38Very low37.4Very low84 Ų8495.9 Ų95.951%0.50953%0.534SS..EExtended strand (participates in β ladder)trans-116.7129.8172.6-173.40000110.4R152 L153 A154R152-V164 HydrophobicContact CB-CG1 3.95Å; L153-V164 CarbonylContact O-C 3.6Å; L153-V164 WeakPolarHBondContact O-CA 3.42Å; A154-V164 HydrophobicContact CB-CG2 4.14Å
165F38.5Very low36.8Very low94 Ų9499.6 Ų99.641%0.41256%0.556SS.*EExtended strand (participates in β ladder)trans-107.9163.1176.7-58.3-90.5000110.4R152 L153 I155 V163R152-F165 CarbonylContact C-O 3.54Å; R152-F165 WeakPolarHBondContact CA-O 3.41Å; R152-F165 WeakPolarHBondContact CB-O 3.34Å; L153-F165 HydrophobicContact CB-CB 4.08Å; L153-F165 HydrophobicContact CB-CD2 4.5Å; L153-F165 PolarHBondContact N-O 3.2Å; L153-F165 PolarHBondContact O-N 3.34Å; I155-F165 HydrophobicContact CD1-CE2 3.62Å; I155-F165 HydrophobicContact CD1-CZ 4.21Å; I155-F165 HydrophobicContact CG1-CE2 3.92Å; V163-F165 HydrophobicContact CB-CE2 3.92Å; V163-F165 HydrophobicContact CB-CZ 4.24Å; V163-F165 HydrophobicContact CG1-CD2 4.18Å; V163-F165 HydrophobicContact CG1-CE1 4.13Å; V163-F165 HydrophobicContact CG1-CE2 3.5Å; V163-F165 HydrophobicContact CG1-CZ 3.49Å; V163-F165 VanDerWaalsContact CG1-CZ 3.49Å
166S40.4Very low36.2Very low63 Ų6399.4 Ų99.444%0.44155%0.554SS.*EExtended strand (participates in β ladder)trans-129.5132.7172.4-47.30000108.3
167I36.7Very low35.7Very low39 Ų39106.7 Ų106.720%0.257%0.574CS.*  trans-106.6127.7-170.5-55.7156.6000108.4L148 G150 R151 L153L148-I167 HydrophobicContact CB-CB 4.37Å; L148-I167 HydrophobicContact CB-CD1 3.69Å; L148-I167 HydrophobicContact CB-CG2 3.84Å; L148-I167 HydrophobicContact CD1-CD1 4.46Å; L148-I167 HydrophobicContact CD2-CD1 3.96Å; L148-I167 HydrophobicContact CG-CD1 4.25Å; L148-I167 WeakPolarHBondContact O-CB 3.46Å; G150-I167 PolarHBondContact N-O 3.4Å; R151-I167 PolarHBondContact O-N 3.23Å; L153-I167 HydrophobicContact CB-CD1 4.07Å; L153-I167 HydrophobicContact CD1-CD1 3.57Å; L153-I167 HydrophobicContact CD1-CG1 4.38Å; L153-I167 HydrophobicContact CG-CD1 3.75Å
168I37.7Very low35.2Very low104 Ų104108.2 Ų108.253%0.53358%0.576SS.*  trans-125.2134.1-171.1-61-179.5000107.2M1M1-I168 HydrophobicContact CE-CD1 3.85Å
169P35.9Very low34.5Very low72 Ų72101.6 Ų101.647%0.46856%0.555SS.*  trans-66.1150.4-178.325.6-28.5000110.9V149 E171V149-P169 HydrophobicContact CB-CB 4.49Å; V149-P169 HydrophobicContact CG1-CB 4.01Å; V149-P169 HydrophobicContact CG1-CG 3.77Å; V149-P169 HydrophobicContact CG2-CB 3.68Å; V149-P169 HydrophobicContact CG2-CG 4.34Å; P169-E171 PolarHBondContact O-N 3.32Å
170A38.4Very low34Very low82 Ų82102.8 Ų102.868%0.67854%0.542SS*.  trans-93.593.2175.700000110.2
171E35.4Very low33.6Very low120 Ų120104.4 Ų104.456%0.56155%0.552SS**  trans-70.3127.8172-77.1-165.7160.800111.5L11 P169 F173 Y174L11-E171 WeakPolarHBondContact CD2-O 3.21Å; P169-E171 PolarHBondContact O-N 3.32Å; E171-F173 PolarHBondContact O-N 2.83Å; E171-Y174 PolarHBondContact O-N 3.16Å
172P32Very low33.2Very low122 Ų122108.4 Ų108.479%0.79257%0.568SS**THydrogen-bonded Turntrans-72.93-171.225.9-33.1000116.2
173F33.6Very low32.7Very low196 Ų196108.7 Ų108.786%0.8657%0.566SS**THydrogen-bonded Turntrans-120.74.8179.9-80.7-77.9000115.2E171 C175E171-F173 PolarHBondContact O-N 2.83Å; F173-C175 PolarHBondContact O-N 3.45Å
174Y32.6Very low32.2Very low95 Ų95112.6 Ų112.637%0.37358%0.578SS.*  trans-9470.8-167.2-162-49.1000111.2L11 S12 V13 E171 Q176L11-Y174 VanDerWaalsContact CD2-CB 3.47Å; L11-Y174 HydrophobicContact CD2-CD1 4.5Å; L11-Y174 HydrophobicContact CD2-CG 4.22Å; L11-Y174 VanDerWaalsContact CD2-O 3.25Å; L11-Y174 WeakPolarHBondContact CD2-O 3.36Å; S12-Y174 VanDerWaalsContact O-CE1 3.26Å; S12-Y174 WeakPolarHBondContact O-CE1 3.42Å; V13-Y174 PolarHBondContact O-OH 3.37Å; V13-Y174 VanDerWaalsContact O-OH 3.05Å; E171-Y174 PolarHBondContact O-N 3.16Å; Y174-Q176 PolarHBondContact O-N 3.29Å
175C26.1Very low31.7Very low114 Ų114115.4 Ų115.477%0.7760%0.596SS**  trans-49.3125170-870000111F173 R177F173-C175 PolarHBondContact O-N 3.45Å; C175-R177 VanDerWaalsContact C-N 3.32Å; C175-R177 PolarHBondContact O-N 3.17Å
176Q32.3Very low31.3Very low78 Ų78113.6 Ų113.636%0.36460%0.595SS.*  trans-68.182.7-175.2173.3130.256.200112L11 S12 Y174 R178L11-Q176 VanDerWaalsContact C-CD 3.45Å; L11-Q176 VanDerWaalsContact N-OE1 3.17Å; L11-Q176 PolarHBondContact O-NE2 3.04Å; L11-Q176 VanDerWaalsContact O-NE2 3.15Å; L11-Q176 PolarHBondContact O-OE1 3.12Å; S12-Q176 VanDerWaalsContact CA-NE2 3.3Å; S12-Q176 VanDerWaalsContact OG-CG 3.22Å; S12-Q176 WeakPolarHBondContact OG-CG 3.22Å; S12-Q176 PolarHBondContact OG-NE2 3.39Å; Y174-Q176 PolarHBondContact O-N 3.29Å; Q176-R178 PolarHBondContact O-N 2.91Å
177R26.5Very low30.8Very low216 Ų216118.7 Ų118.782%0.81561%0.612SS**  trans-52.9112.5160.1-71.7-166.7-163-173.47.7106.8S12 C175 H179S12-R177 PolarHBondContact OG-O 3.48Å; C175-R177 VanDerWaalsContact C-N 3.32Å; C175-R177 PolarHBondContact O-N 3.17Å; R177-H179 PolarHBondContact O-N 3.06Å
178R26.4Very low30.3Very low171 Ų171123.1 Ų123.165%0.64565%0.645SS**  trans-58.5122.6170.1-72.4172.2173.5139.9-5107.4Q176 H180Q176-R178 PolarHBondContact O-N 2.91Å; R178-H180 WeakPolarHBondContact CD-CE1 3.1Å; R178-H180 PolarHBondContact O-CD2 3.29Å; R178-H180 PolarHBondContact O-N 3.2Å
179H25.6Very low29.9Very low109 Ų109123.1 Ų123.151%0.50565%0.654SS.*  trans-68.490.7153.7-99.6-109.1000107.4V13 R177 T181V13-H179 HydrophobicContact CG1-CB 4.32Å; V13-H179 WeakPolarHBondContact CG1-CD2 3.43Å; R177-H179 PolarHBondContact O-N 3.06Å; H179-T181 PolarHBondContact O-N 2.82Å
180H28.1Very low29.5Very low97 Ų97128.3 Ų128.345%0.44967%0.672SS.*  trans-70.774.9175.5-78.5-67.6000110.3R178 S183R178-H180 WeakPolarHBondContact CD-CE1 3.1Å; R178-H180 PolarHBondContact O-CD2 3.29Å; R178-H180 PolarHBondContact O-N 3.2Å; H180-S183 VanDerWaalsContact ND1-CB 3.34Å; H180-S183 WeakPolarHBondContact ND1-CB 3.45Å
181T26.6Very low29.1Very low131 Ų131130.2 Ų130.280%0.80468%0.68SS**SBendtrans-10921.7158.252.10000112H179H179-T181 PolarHBondContact O-N 2.82Å
182L29Very low28.8Very low167 Ų167130.9 Ų130.987%0.87470%0.695SS**SBendtrans-148.8100.1156-84.2178.5000105.9
183S27.5Very low28.6Very low66 Ų66128.4 Ų128.446%0.46269%0.692SS.*  trans-153105.6-167.350.60000113.5H180H180-S183 VanDerWaalsContact ND1-CB 3.34Å; H180-S183 WeakPolarHBondContact ND1-CB 3.45Å
184K29.5Very low28.4Very low145 Ų145127.5 Ų127.563%0.6370%0.695SS**  trans31.395.8138-67.2-172.7157.7-137.20116.8
185T28.1Very low28Very low142 Ų142134.2 Ų134.287%0.87172%0.719SS**  trans-120.168.8135.447.10000108.8
186S28.6Very low28.2Very low57 Ų57134.4 Ų134.440%0.39972%0.719SS.*  trans-121.986.715864.30000107.7
187E31.3Very low27.9Very low170 Ų170135.4 Ų135.479%0.79474%0.735SS**SBendtrans-170.2145.2158.4-100137.3-138.300106.4
188C25.7Very low28Very low132 Ų132134.6 Ų134.689%0.89274%0.738SS**  trans-89.1137.6-168.9-54.90000111.5
189S28.6Very low27.9Very low103 Ų103135.4 Ų135.472%0.7275%0.749SS**  trans176123.2138.855.20000112.1
190E27.4Very low28.1Very low182 Ų182133.4 Ų133.485%0.8576%0.757SS**  trans48.1108.9132.7-55.9178.2154.400120.4
191S30.7Very low28Very low122 Ų122134.7 Ų134.785%0.85377%0.772SS**  -170.3129.6124.6-81.30000110.8
192P28.6Very low28.2Very low134 Ų134137.8 Ų137.887%0.8778%0.776SS**  trans-92.1148.6-179.435.5-33.6000113.2
193G27.4Very low28.1Very low70 Ų70137.3 Ų137.372%0.72277%0.774SS**  trans92.2121.9161.600000116.2
194L30.1Very low28.3Very low176 Ų176139.3 Ų139.392%0.92179%0.794SS**  -177.7128.795.9-90.2168.3000109.7
195R24.7Very low28.2Very low236 Ų236136.4 Ų136.489%0.89181%0.806SS**  trans-72.7144.2169.9-71.7174165.4177.3-6.2109.8
196P29.6Very low28.2Very low118 Ų118133.3 Ų133.377%0.76680%0.802SS**  trans-81.4107.2144.612.84.8000108.2
197S25.6Very low28.2Very low99 Ų99135.8 Ų135.869%0.69282%0.819SS**  trans-73.1141.7156.1-164.50000107.9
198F28.2Very low28.3Very low200 Ų200136.5 Ų136.588%0.87782%0.822SS**  trans-125.386.5172.3-122.3-84.4000110.5
199E25.5Very low28.5Very low188 Ų188134.7 Ų134.788%0.87982%0.816SS**  trans-132.6110170.1-169.8164.1-141.400104.9
200G28.7Very low28.5Very low66 Ų66137.6 Ų137.668%0.6882%0.822SS**  trans175.381.8-16300000113.3
201V26.4Very low28.7Very low125 Ų125138.3 Ų138.376%0.75883%0.826SS**  trans-65.5143.5172.9174.80000110.5L203V201-L203 HydrophobicContact CG1-CG 4.2Å
202H30.3Very low28.4Very low195 Ų195137.2 Ų137.290%0.90382%0.818SS**  trans-137.1126.1153.9-122.3-83.1000111.8
203L26.8Very low28.3Very low158 Ų158136.3 Ų136.383%0.82781%0.81SS**  trans-92.9126.3-178.3-75.4158.5000111V201V201-L203 HydrophobicContact CG1-CG 4.2Å
204A31.8Very low28.3Very low107 Ų107139.1 Ų139.188%0.88481%0.813SS**  trans-162.4134151.400000106.2
205G27.2Very low28.2Very low84 Ų84135.7 Ų135.787%0.86680%0.804SS**  cis140.878.711.800000107.4
206G29Very low28.5Very low77 Ų77133.6 Ų133.679%0.79480%0.804SS**  trans173.9103.3-171.300000112.9
207S28.7Very low28.3Very low109 Ų109134.1 Ų134.176%0.76281%0.81SS**  trans-29129.5172.6-46.70000116.7
208H33.5Very low28.3Very low186 Ų186133 Ų13386%0.86181%0.808SS**  -175.8137.5116.4-97.3-68.4000113
209A30.4Very low28.5Very low93 Ų93131.5 Ų131.577%0.76980%0.803SS**  trans50.19716000000119.4Q211A209-Q211 PolarHBondContact O-N 3.09Å
210I27.2Very low28.6Very low165 Ų165128.5 Ų128.585%0.84680%0.803SS**  trans-73.6118.2157.4-62.2168.2000108.5
211Q31.8Very low28.5Very low197 Ų197129.5 Ų129.592%0.92180%0.799SS**  trans-108.6136.6148.7-86.7-169.9-10.100108.8A209A209-Q211 PolarHBondContact O-N 3.09Å
212S25.2Very low28.8Very low99 Ų99129.8 Ų129.869%0.69280%0.801SS**  trans-99.1172.4-162.956.70000113.3
213T26.9Very low29.4Very low115 Ų115123.9 Ų123.971%0.70678%0.782SS**  trans9882.6149.3-20.70000117.7
214V27.1Very low30.2Very low129 Ų129120.4 Ų120.478%0.78276%0.76SS**  trans71.8142.3138.4-1730000118.1
215S27.5Very low31.5Very low104 Ų104118.7 Ų118.773%0.72774%0.735SS**  trans87.948.4169.1-46.80000120.1
216Q30.3Very low32.8Very low192 Ų192120.5 Ų120.590%0.89772%0.721SS**  trans-13451.9161.4-69.3-164.513.200114.5A218Q216-A218 VanDerWaalsContact C-N 3.32Å; Q216-A218 PolarHBondContact O-N 2.94Å
217S26.4Very low34.2Very low128 Ų128121 Ų12190%0.89570%0.702SS**  trans-89.669.7156.357.80000109.3
218A26.3Very low35.6Very low77 Ų77116 Ų11664%0.63667%0.667SS**  trans-130.2105.3-17100000112.9Q216Q216-A218 VanDerWaalsContact C-N 3.32Å; Q216-A218 PolarHBondContact O-N 2.94Å
219Q30.5Very low36.6Very low167 Ų167112.4 Ų112.478%0.7865%0.654SS**  trans62.888.9150.2-54.7177.510.900117.6S221Q219-S221 PolarHBondContact O-N 3.24Å
220S27.5Very low37.7Very low125 Ų125110 Ų11087%0.87463%0.631SS**  trans-71.760.6147.347.90000110.8V222S220-V222 PolarHBondContact O-N 3.43Å
221S27.7Very low38.8Very low87 Ų87103.7 Ų103.761%0.60860%0.601SS**  trans-73.588.8175.143.90000110Q219 S223Q219-S221 PolarHBondContact O-N 3.24Å; S221-S223 PolarHBondContact O-N 3.24Å
222V33.1Very low39.7Very low132 Ų13299.2 Ų99.280%0.859%0.589SS**  trans-50.1109.8164.7-90.50000108.6S220 F224S220-V222 PolarHBondContact O-N 3.43Å; V222-F224 PolarHBondContact O-N 3.16Å; V222-F224 VanDerWaalsContact O-N 3.08Å
223S43.4Very low40.3Very low70 Ų70101.1 Ų101.149%0.4959%0.59SS.*  trans-66.9116.1-172.6-178.50000108.7S221 M225 E226S221-S223 PolarHBondContact O-N 3.24Å; S223-M225 PolarHBondContact O-N 3.31Å; S223-E226 WeakPolarHBondContact O-CB 3.36Å; S223-E226 PolarHBondContact O-N 3.06Å
224F43Very low40.9Very low85 Ų8597.6 Ų97.637%0.37357%0.565SS.*G310 helixtrans-52.3-33.3-177.7-177.5-114.8000113.7V222 E226 L397 P398 V401V222-F224 PolarHBondContact O-N 3.16Å; V222-F224 VanDerWaalsContact O-N 3.08Å; F224-E226 VanDerWaalsContact C-N 3.28Å; F224-E226 PolarHBondContact O-N 3.46Å; F224-L397 HydrophobicContact CE1-CB 4.29Å; F224-L397 HydrophobicContact CE1-CD2 4.15Å; F224-L397 HydrophobicContact CE1-CG 3.8Å; F224-L397 HydrophobicContact CE2-CB 4.4Å; F224-L397 HydrophobicContact CE2-CD2 4.13Å; F224-L397 HydrophobicContact CE2-CG 4.37Å; F224-L397 HydrophobicContact CZ-CB 3.51Å; F224-L397 HydrophobicContact CZ-CD2 3.52Å; F224-L397 HydrophobicContact CZ-CG 3.36Å; F224-P398 HydrophobicContact CD1-CG 4.24Å; F224-P398 HydrophobicContact CD2-CG 4.29Å; F224-P398 VanDerWaalsContact CE1-CA 3.48Å; F224-P398 HydrophobicContact CE1-CB 4.02Å; F224-P398 HydrophobicContact CE1-CG 3.66Å; F224-P398 VanDerWaalsContact CE1-N 3.34Å; F224-P398 HydrophobicContact CE2-CG 3.7Å; F224-P398 HydrophobicContact CZ-CB 4.2Å; F224-P398 HydrophobicContact CZ-CG 3.36Å; F224-V401 HydrophobicContact CE1-CG2 4.04Å
225M58.1Low42Very low72 Ų7299.9 Ų99.936%0.35556%0.56SS.*G310 helixtrans-71.5-12176.8-68.5-94.889.800114.5S223 H227 L228 N229 P398 V401S223-M225 PolarHBondContact O-N 3.31Å; M225-H227 PolarHBondContact O-N 3.2Å; M225-L228 HydrophobicContact CE-CD1 3.96Å; M225-L228 WeakPolarHBondContact O-CA 3.47Å; M225-L228 PolarHBondContact O-N 3.3Å; M225-N229 PolarHBondContact O-N 3.36Å; M225-P398 HydrophobicContact CE-CB 4.4Å; M225-V401 HydrophobicContact CE-CB 4.37Å; M225-V401 HydrophobicContact CE-CG1 3.98Å
226E54.6Low42.9Very low122 Ų122102.4 Ų102.457%0.5756%0.557SS**G310 helixtrans-59.4-33.7-174.5-172.1169.6-168.300112.6S223 F224 L228 N229S223-E226 WeakPolarHBondContact O-CB 3.36Å; S223-E226 PolarHBondContact O-N 3.06Å; F224-E226 VanDerWaalsContact C-N 3.28Å; F224-E226 PolarHBondContact O-N 3.46Å; E226-L228 PolarHBondContact O-N 2.95Å; E226-N229 PolarHBondContact O-N 2.98Å
227H58.7Low43Very low88 Ų8896.9 Ų96.941%0.40753%0.529SS..G310 helixtrans-63.7-23.9173.9-60.787.3000113.7M225 Y395M225-H227 PolarHBondContact O-N 3.2Å; H227-Y395 HydrophobicContact CB-CD1 4.33Å; H227-Y395 HydrophobicContact CB-CE1 3.92Å; H227-Y395 VanDerWaalsContact O-CE1 3.31Å; H227-Y395 WeakPolarHBondContact O-CE1 3.41Å
228L58.9Low43.7Very low4 Ų494.2 Ų94.22%0.02150%0.499CS..G310 helixtrans-102.2-1.9179.2-67-170.9000114M225 E226 P230 L355 Y395 P398 V399 A402M225-L228 HydrophobicContact CE-CD1 3.96Å; M225-L228 WeakPolarHBondContact O-CA 3.47Å; M225-L228 PolarHBondContact O-N 3.3Å; E226-L228 PolarHBondContact O-N 2.95Å; L228-P230 WeakPolarHBondContact O-CD 3.46Å; L228-P230 VanDerWaalsContact O-N 3.1Å; L228-L355 HydrophobicContact CD2-CD1 3.9Å; L228-L355 HydrophobicContact CD2-CD2 4.23Å; L228-L355 HydrophobicContact CD2-CG 4.3Å; L228-Y395 HydrophobicContact CD2-CD1 3.9Å; L228-Y395 HydrophobicContact CD2-CE1 4.31Å; L228-P398 VanDerWaalsContact CD1-C 3.48Å; L228-P398 HydrophobicContact CD1-CB 3.56Å; L228-P398 VanDerWaalsContact CD1-O 3.27Å; L228-P398 WeakPolarHBondContact CD1-O 3.07Å; L228-P398 HydrophobicContact CG-CB 3.74Å; L228-V399 HydrophobicContact CD2-CG2 4.31Å; L228-A402 HydrophobicContact CD1-CB 3.8Å
229N54.9Low44.6Very low109 Ų10996.7 Ų96.758%0.58350%0.498SS*.  trans-64112.6-178.4-96.8-37.3000110.6M225 E226M225-N229 PolarHBondContact O-N 3.36Å; E226-N229 PolarHBondContact O-N 2.98Å
230P53.6Low45.2Very low43 Ų4392.5 Ų92.528%0.27949%0.492SS..  trans-70.5141-178.630.1-34.6000110L228 F234 G345 D348L228-P230 WeakPolarHBondContact O-CD 3.46Å; L228-P230 VanDerWaalsContact O-N 3.1Å; P230-F234 HydrophobicContact CB-CB 4.15Å; P230-F234 HydrophobicContact CB-CD1 3.97Å; P230-F234 HydrophobicContact CB-CG 4.3Å; P230-G345 WeakPolarHBondContact CB-O 3.38Å; P230-D348 WeakPolarHBondContact CA-OD2 3.35Å
231S49.4Very low45.7Very low33 Ų3389.7 Ų89.723%0.23147%0.469CS..  trans-49.9147.7178.365.40000111.6I233 F234 R235 D348S231-I233 PolarHBondContact O-N 2.99Å; S231-F234 WeakPolarHBondContact O-CA 3.43Å; S231-F234 WeakPolarHBondContact O-CB 3.33Å; S231-F234 PolarHBondContact O-N 3.21Å; S231-F234 PolarHBondContact OG-N 3.4Å; S231-R235 PolarHBondContact O-N 3.15Å; S231-D348 WeakPolarHBondContact CB-OD1 3.4Å; S231-D348 WeakPolarHBondContact CB-OD2 3.37Å; S231-D348 PolarHBondContact N-OD2 3.19Å; S231-D348 PolarHBondContact OG-OD1 3.41Å
232P50.7Low46.2Very low103 Ų10388 Ų8867%0.66945%0.451SS*.Hα-helixtrans-60.2-19.1179.423.3-33.7000112.9K236P232-K236 PolarHBondContact O-N 3.02Å
233I38.4Very low46.5Very low138 Ų13886.9 Ų86.971%0.70845%0.446SS*.Hα-helixtrans-68.6-48.1170.3-58.8172.3000110.4S231 K236 Y237S231-I233 PolarHBondContact O-N 2.99Å; I233-K236 PolarHBondContact O-N 3.29Å; I233-Y237 PolarHBondContact O-N 3.04Å; I233-Y237 VanDerWaalsContact O-N 3.07Å
234F39.5Very low46.3Very low42 Ų4287.7 Ų87.718%0.18445%0.452CS..Hα-helixtrans-67-35.9178.7-164.9-79.3000112.1P230 S231 K236 Y237 R238 G345 I347P230-F234 HydrophobicContact CB-CB 4.15Å; P230-F234 HydrophobicContact CB-CD1 3.97Å; P230-F234 HydrophobicContact CB-CG 4.3Å; S231-F234 WeakPolarHBondContact O-CA 3.43Å; S231-F234 WeakPolarHBondContact O-CB 3.33Å; S231-F234 PolarHBondContact O-N 3.21Å; S231-F234 PolarHBondContact OG-N 3.4Å; F234-K236 VanDerWaalsContact C-N 3.29Å; F234-K236 PolarHBondContact O-N 3.04Å; F234-Y237 WeakPolarHBondContact O-CB 3.47Å; F234-Y237 PolarHBondContact O-N 3.17Å; F234-R238 PolarHBondContact O-N 2.78Å; F234-G345 WeakPolarHBondContact CD1-O 3.21Å; F234-G345 VanDerWaalsContact CE1-CA 3.46Å; F234-G345 VanDerWaalsContact CE1-O 3.25Å; F234-G345 WeakPolarHBondContact CE1-O 3.46Å; F234-I347 VanDerWaalsContact CD2-O 3.28Å; F234-I347 WeakPolarHBondContact CD2-O 3.36Å; F234-I347 WeakPolarHBondContact CE2-O 3.4Å
235R49.2Very low46.2Very low176 Ų17686.4 Ų86.466%0.66445%0.449SS*.Hα-helixtrans-57-40.6172.6-170.6172.6-178.2156.10.3112.5S231 Q239S231-R235 PolarHBondContact O-N 3.15Å; R235-Q239 PolarHBondContact O-N 3.49Å
236K46Very low45.2Very low157 Ų15787.5 Ų87.568%0.68346%0.459SS*.Hα-helixtrans-69.3-37.4173.4-70.3-179.1177.9-176.60112.4P232 I233 F234 Q239 A240P232-K236 PolarHBondContact O-N 3.02Å; I233-K236 PolarHBondContact O-N 3.29Å; F234-K236 VanDerWaalsContact C-N 3.29Å; F234-K236 PolarHBondContact O-N 3.04Å; K236-Q239 PolarHBondContact O-N 2.95Å; K236-A240 PolarHBondContact O-N 2.7Å
237Y34.2Very low44.7Very low77 Ų7785.2 Ų85.230%0.30247%0.469SS..Hα-helixtrans-63.7-43.2175.8-170.7-97.5000112.1I233 F234 Q239 A240 V241I233-Y237 PolarHBondContact O-N 3.04Å; I233-Y237 VanDerWaalsContact O-N 3.07Å; F234-Y237 WeakPolarHBondContact O-CB 3.47Å; F234-Y237 PolarHBondContact O-N 3.17Å; Y237-Q239 PolarHBondContact O-N 2.99Å; Y237-A240 PolarHBondContact O-N 2.81Å; Y237-A240 VanDerWaalsContact O-N 3.12Å; Y237-V241 HydrophobicContact CD1-CG2 4.01Å; Y237-V241 HydrophobicContact CD2-CG2 4.39Å; Y237-V241 HydrophobicContact CE1-CB 4.45Å; Y237-V241 HydrophobicContact CE1-CG2 3.58Å; Y237-V241 HydrophobicContact CE2-CG2 4.01Å; Y237-V241 HydrophobicContact CG-CG2 4.39Å; Y237-V241 PolarHBondContact O-N 3.46Å
238R39.9Very low43.8Very low72 Ų7285.9 Ų85.927%0.27248%0.483SS..Hα-helixtrans-56.4-47.4175.1179.3177.3173.4165.9-1.1111.9F234 A240 V241 F242 K344F234-R238 PolarHBondContact O-N 2.78Å; R238-A240 VanDerWaalsContact C-N 3.26Å; R238-A240 PolarHBondContact O-N 3.01Å; R238-V241 PolarHBondContact O-N 3.45Å; R238-F242 PolarHBondContact O-N 3.28Å; R238-K344 PolarHBondContact NH1-O 3.27Å
239Q46.1Very low43Very low129 Ų12991.2 Ų91.260%0.60351%0.508SS*.Hα-helixtrans-63.2-30.4177.7-71.1175.6-31.300113.1R235 K236 Y237R235-Q239 PolarHBondContact O-N 3.49Å; K236-Q239 PolarHBondContact O-N 2.95Å; Y237-Q239 PolarHBondContact O-N 2.99Å
240A42.3Very low42.3Very low79 Ų7988.4 Ų88.465%0.65349%0.491SS*.Hα-helixtrans-81.9-33.9179.400000113.8K236 Y237 R238K236-A240 PolarHBondContact O-N 2.7Å; Y237-A240 PolarHBondContact O-N 2.81Å; Y237-A240 VanDerWaalsContact O-N 3.12Å; R238-A240 VanDerWaalsContact C-N 3.26Å; R238-A240 PolarHBondContact O-N 3.01Å
241V37.2Very low41.6Very low66 Ų6692.6 Ų92.640%0.451%0.511SS..Hα-helixtrans-90.4-33.5-178178.50000112.4Y237 R238 P243Y237-V241 HydrophobicContact CD1-CG2 4.01Å; Y237-V241 HydrophobicContact CD2-CG2 4.39Å; Y237-V241 HydrophobicContact CE1-CB 4.45Å; Y237-V241 HydrophobicContact CE1-CG2 3.58Å; Y237-V241 HydrophobicContact CE2-CG2 4.01Å; Y237-V241 HydrophobicContact CG-CG2 4.39Å; Y237-V241 PolarHBondContact O-N 3.46Å; R238-V241 PolarHBondContact O-N 3.45Å; V241-P243 WeakPolarHBondContact O-CD 3.48Å
242F39.1Very low41.2Very low51 Ų5192.3 Ų92.322%0.22451%0.507CS..  trans-125.562.4-179-56.8-74.5000111.7R238 S244 L245 L343R238-F242 PolarHBondContact O-N 3.28Å; F242-S244 PolarHBondContact O-N 3.46Å; F242-S244 VanDerWaalsContact O-N 3.12Å; F242-L245 HydrophobicContact CB-CB 4.19Å; F242-L245 HydrophobicContact CB-CD1 3.78Å; F242-L245 HydrophobicContact CB-CG 4.02Å; F242-L245 HydrophobicContact CD1-CD1 3.99Å; F242-L245 HydrophobicContact CG-CD1 3.93Å; F242-L245 PolarHBondContact O-N 3.07Å; F242-L343 HydrophobicContact CZ-CD2 4.5Å
243P39.5Very low40.6Very low108 Ų10891.4 Ų91.470%0.70149%0.492SS*.THydrogen-bonded Turntrans-63.7-17.1-177.627.2-35.8000113.9V241V241-P243 WeakPolarHBondContact O-CD 3.48Å
244S39.9Very low40.4Very low87 Ų8787.7 Ų87.761%0.60849%0.489SS*.THydrogen-bonded Turntrans-87.1-16.517849.20000115F242 T246F242-S244 PolarHBondContact O-N 3.46Å; F242-S244 VanDerWaalsContact O-N 3.12Å; S244-T246 PolarHBondContact O-N 3.38Å; S244-T246 VanDerWaalsContact O-N 3.07Å
245L39.3Very low40.5Very low59 Ų5988.8 Ų88.831%0.30950%0.496SS..  trans-86.479.4-175-67.3-177.6000111.6F242F242-L245 HydrophobicContact CB-CB 4.19Å; F242-L245 HydrophobicContact CB-CD1 3.78Å; F242-L245 HydrophobicContact CB-CG 4.02Å; F242-L245 HydrophobicContact CD1-CD1 3.99Å; F242-L245 HydrophobicContact CG-CD1 3.93Å; F242-L245 PolarHBondContact O-N 3.07Å
246T38.6Very low40.1Very low94 Ų9482.8 Ų82.858%0.57747%0.474SS*.  trans-66.2147.4169.151.30000111.2S244 S248 Q249S244-T246 PolarHBondContact O-N 3.38Å; S244-T246 VanDerWaalsContact O-N 3.07Å; T246-S248 PolarHBondContact O-N 3.25Å; T246-Q249 PolarHBondContact O-N 2.88Å; T246-Q249 VanDerWaalsContact O-N 3.15Å
247G42.9Very low39.6Very low74 Ų7482 Ų8276%0.76348%0.477SS*.THydrogen-bonded Turntrans-66.8-2-165.300000117.3
248S41Very low39.9Very low103 Ų10382.9 Ų82.972%0.7249%0.49SS*.THydrogen-bonded Turntrans-104.62.6175.972.60000113.8T246 F250T246-S248 PolarHBondContact O-N 3.25Å; S248-F250 PolarHBondContact O-N 2.88Å
249Q41.4Very low39.8Very low116 Ų11681.5 Ų81.554%0.54249%0.488SS..  trans-91.225.5179.4-156.1172.758.900112.6T246T246-Q249 PolarHBondContact O-N 2.88Å; T246-Q249 VanDerWaalsContact O-N 3.15Å
250F39.3Very low39.4Very low49 Ų4978.1 Ų78.122%0.21548%0.482CS..  trans-95.523.5-179.9-115.1-65.4000114.4S248 L252 K344S248-F250 PolarHBondContact O-N 2.88Å; F250-L252 HydrophobicContact CD1-CB 4.15Å; F250-L252 HydrophobicContact CE1-CB 4.3Å; F250-L252 HydrophobicContact CE1-CD1 4Å; F250-L252 HydrophobicContact CE1-CD2 4.23Å; F250-L252 HydrophobicContact CE1-CG 4.41Å; F250-L252 PolarHBondContact O-N 2.93Å; F250-K344 HydrophobicContact CD1-CD 4.44Å; F250-K344 VanDerWaalsContact CD1-CE 3.41Å; F250-K344 HydrophobicContact CD1-CG 4.26Å; F250-K344 HydrophobicContact CE1-CD 3.96Å; F250-K344 HydrophobicContact CE1-CG 3.49Å; F250-K344 VanDerWaalsContact CE1-CG 3.49Å; F250-K344 HydrophobicContact CE2-CG 3.81Å; F250-K344 HydrophobicContact CZ-CB 4.25Å; F250-K344 HydrophobicContact CZ-CD 4.2Å; F250-K344 HydrophobicContact CZ-CG 3.22Å
251D38.8Very low39Very low131 Ų13177.9 Ų77.970%0.70149%0.487SS*.  trans-71.259.5160.4-68.3-40.4000110.2F253 G254 N255D251-F253 PolarHBondContact O-N 2.79Å; D251-F253 VanDerWaalsContact O-N 3.08Å; D251-G254 PolarHBondContact O-N 2.78Å; D251-N255 PolarHBondContact O-N 3.44Å
252L41.4Very low38.7Very low27 Ų2776.8 Ų76.814%0.14149%0.49CS..THydrogen-bonded Turntrans-57.9-31.7-170.3-166.970.8000111.1F250 W256 Q340F250-L252 HydrophobicContact CD1-CB 4.15Å; F250-L252 HydrophobicContact CE1-CB 4.3Å; F250-L252 HydrophobicContact CE1-CD1 4Å; F250-L252 HydrophobicContact CE1-CD2 4.23Å; F250-L252 HydrophobicContact CE1-CG 4.41Å; F250-L252 PolarHBondContact O-N 2.93Å; L252-W256 HydrophobicContact CD1-CZ2 4.43Å; L252-W256 HydrophobicContact CD2-CZ2 4.32Å; L252-W256 HydrophobicContact CG-CZ2 4.23Å; L252-W256 PolarHBondContact O-NE1 3.01Å; L252-Q340 HydrophobicContact CD2-CG 4.04Å
253F38.7Very low38.3Very low84 Ų8483.1 Ų83.137%0.36852%0.52SS..THydrogen-bonded Turntrans-74.9-31.7179.9-80.5-94.9000114.5D251 A406 L409D251-F253 PolarHBondContact O-N 2.79Å; D251-F253 VanDerWaalsContact O-N 3.08Å; F253-A406 HydrophobicContact CD2-CB 3.89Å; F253-A406 HydrophobicContact CE1-CB 4.02Å; F253-A406 HydrophobicContact CE2-CB 3.14Å; F253-A406 HydrophobicContact CZ-CB 3.23Å; F253-L409 HydrophobicContact CZ-CD2 4.32Å
254G34.8Very low38.2Very low61 Ų6181.4 Ų81.463%0.62951%0.505SS*.THydrogen-bonded Turntrans-81-19.8-179.700000114D251D251-G254 PolarHBondContact O-N 2.78Å
255N40.4Very low38.2Very low65 Ų6580.2 Ų80.235%0.34850%0.496SS..SBendtrans-103.7-1.8-174.4-151.831.7000113.9D251 D257 T258 I259D251-N255 PolarHBondContact O-N 3.44Å; N255-D257 VanDerWaalsContact C-N 3.26Å; N255-D257 PolarHBondContact O-N 3.02Å; N255-T258 PolarHBondContact O-N 2.99Å; N255-T258 WeakPolarHBondContact OD1-CB 3.33Å; N255-T258 PolarHBondContact OD1-OG1 3.46Å; N255-I259 HydrophobicContact CB-CD1 4.29Å; N255-I259 WeakPolarHBondContact O-CB 3Å; N255-I259 WeakPolarHBondContact O-CD1 3.38Å; N255-I259 VanDerWaalsContact O-CG1 3.25Å; N255-I259 WeakPolarHBondContact O-CG1 3.35Å; N255-I259 PolarHBondContact O-N 3.29Å
256W40.7Very low38.2Very low50 Ų5079 Ų7919%0.18949%0.492CS..Hα-helixtrans-61.9-31.9176.1-80.8119.3000112.6L252 I259 A260 V413L252-W256 HydrophobicContact CD1-CZ2 4.43Å; L252-W256 HydrophobicContact CD2-CZ2 4.32Å; L252-W256 HydrophobicContact CG-CZ2 4.23Å; L252-W256 PolarHBondContact O-NE1 3.01Å; W256-I259 HydrophobicContact CE3-CG2 4.3Å; W256-I259 HydrophobicContact CZ3-CG2 4.38Å; W256-I259 PolarHBondContact O-N 2.94Å; W256-A260 WeakPolarHBondContact O-CA 3.47Å; W256-A260 WeakPolarHBondContact O-CB 3.35Å; W256-A260 PolarHBondContact O-N 3.11Å; W256-V413 HydrophobicContact CD2-CG2 3.99Å; W256-V413 HydrophobicContact CE3-CG2 3.79Å; W256-V413 HydrophobicContact CH2-CG1 4.11Å; W256-V413 HydrophobicContact CH2-CG2 3.99Å; W256-V413 HydrophobicContact CZ2-CG1 4.45Å; W256-V413 HydrophobicContact CZ2-CG2 4.17Å; W256-V413 HydrophobicContact CZ3-CG2 3.79Å
257D36.9Very low38.4Very low139 Ų13978.9 Ų78.974%0.74349%0.488SS*.Hα-helixtrans-69.1-39.2175.7-67.9-38.9000111.8N255 I259 A260 G261N255-D257 VanDerWaalsContact C-N 3.26Å; N255-D257 PolarHBondContact O-N 3.02Å; D257-I259 VanDerWaalsContact C-N 3.32Å; D257-I259 PolarHBondContact O-N 3.22Å; D257-A260 PolarHBondContact O-N 3.33Å; D257-G261 PolarHBondContact O-N 2.89Å
258T38.8Very low38.4Very low96 Ų9681.9 Ų81.959%0.58949%0.486SS*.Hα-helixtrans-66.6-32.8173.5-31.80000112.5N255N255-T258 PolarHBondContact O-N 2.99Å; N255-T258 WeakPolarHBondContact OD1-CB 3.33Å; N255-T258 PolarHBondContact OD1-OG1 3.46Å
259I38.3Very low38.7Very low43 Ų4378.3 Ų78.322%0.22146%0.458CS..Hα-helixtrans-84-31.2179.2-65.9165.2000111.3N255 W256 D257 G261 G262N255-I259 HydrophobicContact CB-CD1 4.29Å; N255-I259 WeakPolarHBondContact O-CB 3Å; N255-I259 WeakPolarHBondContact O-CD1 3.38Å; N255-I259 VanDerWaalsContact O-CG1 3.25Å; N255-I259 WeakPolarHBondContact O-CG1 3.35Å; N255-I259 PolarHBondContact O-N 3.29Å; W256-I259 HydrophobicContact CE3-CG2 4.3Å; W256-I259 HydrophobicContact CZ3-CG2 4.38Å; W256-I259 PolarHBondContact O-N 2.94Å; D257-I259 VanDerWaalsContact C-N 3.32Å; D257-I259 PolarHBondContact O-N 3.22Å; I259-G261 VanDerWaalsContact C-N 3.32Å; I259-G262 CarbonylContact O-C 3.57Å; I259-G262 PolarHBondContact O-N 3.35Å
260A38.8Very low38.8Very low58 Ų5873.7 Ų73.748%0.47944%0.437SS..Hα-helixtrans-71.8-27.9172.600000111.8W256 D257 G262W256-A260 WeakPolarHBondContact O-CA 3.47Å; W256-A260 WeakPolarHBondContact O-CB 3.35Å; W256-A260 PolarHBondContact O-N 3.11Å; D257-A260 PolarHBondContact O-N 3.33Å; A260-G262 PolarHBondContact O-N 3.49Å
261G32.5Very low38.5Very low74 Ų7476.4 Ų76.476%0.76345%0.454SS*.THydrogen-bonded Turntrans-74.3-2.4168.900000115.2D257 I259D257-G261 PolarHBondContact O-N 2.89Å; I259-G261 VanDerWaalsContact C-N 3.32Å
262G31.8Very low38.6Very low44 Ų4472.7 Ų72.745%0.45444%0.436SS..SBendtrans-142.583.3-177.400000113I259 A260 L264I259-G262 CarbonylContact O-C 3.57Å; I259-G262 PolarHBondContact O-N 3.35Å; A260-G262 PolarHBondContact O-N 3.49Å; G262-L264 PolarHBondContact O-N 2.97Å; G262-L264 VanDerWaalsContact O-N 3.11Å
263E31.2Very low38.3Very low184 Ų18478.3 Ų78.386%0.8646%0.462SS*.SBendtrans1875.2168.4-69.1-173.9136.200116.4
264L35.7Very low38Very low72 Ų7284 Ų8438%0.37749%0.486SS..  trans33.2100.7158.7-97.168.7000117G262 S266 L267 A416G262-L264 PolarHBondContact O-N 2.97Å; G262-L264 VanDerWaalsContact O-N 3.11Å; L264-S266 PolarHBondContact O-N 3.11Å; L264-L267 HydrophobicContact CB-CD1 4.29Å; L264-L267 PolarHBondContact O-N 3.49Å; L264-A416 HydrophobicContact CD2-CB 3.62Å
265S39.9Very low38Very low61 Ų6188.9 Ų88.943%0.42749%0.491SS..THydrogen-bonded Turntrans-57.4-4.1156.3-45.50000114.3L268S265-L268 WeakPolarHBondContact O-CB 3.45Å; S265-L268 PolarHBondContact O-N 3.36Å
266S39.7Very low38Very low33 Ų3389.5 Ų89.523%0.23150%0.5CS..THydrogen-bonded Turntrans-76.5-25.4171-142.90000113.1L264 H417L264-S266 PolarHBondContact O-N 3.11Å; S266-H417 PolarHBondContact OG-CE1 3.33Å; S266-H417 VanDerWaalsContact OG-CE1 3.29Å; S266-H417 PolarHBondContact OG-NE2 2.84Å
267L42.4Very low38.5Very low92 Ų9291.4 Ų91.448%0.48251%0.507SS..Hα-helixtrans-66.4-43166-78148.9000110.4L264 L269 D270 D271L264-L267 HydrophobicContact CB-CD1 4.29Å; L264-L267 PolarHBondContact O-N 3.49Å; L267-L269 PolarHBondContact O-N 2.72Å; L267-D270 PolarHBondContact O-N 3.22Å; L267-D271 WeakPolarHBondContact CD2-OD1 3.46Å; L267-D271 WeakPolarHBondContact O-CB 3.5Å; L267-D271 PolarHBondContact O-N 3.24Å
268L43.4Very low39.3Very low138 Ų13887.8 Ų87.872%0.72350%0.503SS*.Hα-helixtrans-59.4-22.2-175.6-164.870000114.7S265S265-L268 WeakPolarHBondContact O-CB 3.45Å; S265-L268 PolarHBondContact O-N 3.36Å
269L46.8Very low40.4Very low28 Ų2885.1 Ų85.115%0.14748%0.484CS..Hα-helixtrans-96.3-16.8177.8-92.1170.4000114.6L267 D339 I342 L343L267-L269 PolarHBondContact O-N 2.72Å; L269-D339 HydrophobicContact CD1-CB 4.5Å; L269-I342 HydrophobicContact CD2-CG2 3.95Å; L269-L343 HydrophobicContact CD1-CD1 4.32Å; L269-L343 HydrophobicContact CD1-CD2 3.81Å; L269-L343 HydrophobicContact CD1-CG 3.92Å
270D44.3Very low41.6Very low18 Ų1886 Ų8610%0.09649%0.486CS..Hα-helixtrans-130.1-1-165.1-100.213.5000114.3L267 T272 Y311 K314 K420L267-D270 PolarHBondContact O-N 3.22Å; D270-T272 PolarHBondContact O-N 3.36Å; D270-Y311 WeakPolarHBondContact OD1-CE1 3.32Å; D270-K314 IonicContact OD1-NZ 2.65Å; D270-K314 PolarHBondContact OD1-NZ 3.47Å; D270-K314 IonicContact OD2-NZ 3.02Å; D270-K314 PolarHBondContact OD2-NZ 2.97Å; D270-K420 VanDerWaalsContact CG-NZ 3.26Å; D270-K420 IonicContact OD2-NZ 3Å; D270-K420 PolarHBondContact OD2-NZ 3.28Å
271D33.7Very low42.8Very low106 Ų10686.3 Ų86.357%0.56748%0.482SS*.  trans-67.667.5171.5-78.3-19.7000112.6L267L267-D271 WeakPolarHBondContact CD2-OD1 3.46Å; L267-D271 WeakPolarHBondContact O-CB 3.5Å; L267-D271 PolarHBondContact O-N 3.24Å
272T39.8Very low43.8Very low53 Ų5385.2 Ų85.233%0.32546%0.461SS..  trans-144.830.8162.9-27.10000114.1D270 F274 K275 Y311D270-T272 PolarHBondContact O-N 3.36Å; T272-F274 PolarHBondContact O-N 3.36Å; T272-F274 VanDerWaalsContact O-N 3.15Å; T272-K275 HydrophobicContact CG2-CB 3.94Å; T272-Y311 WeakPolarHBondContact CB-OH 3.46Å; T272-Y311 PolarHBondContact N-OH 3.44Å; T272-Y311 PolarHBondContact OG1-OH 3.48Å
273E35.4Very low45.3Very low146 Ų14686.2 Ų86.268%0.68246%0.455SS*.THydrogen-bonded Turntrans-61.1115152.3-69.5-175.1-154.100108.2
274F32.3Very low46.5Very low202 Ų20283 Ų8389%0.88645%0.448SS*.THydrogen-bonded Turntrans54.256.4178.5-72.2-91.9000117.8T272T272-F274 PolarHBondContact O-N 3.36Å; T272-F274 VanDerWaalsContact O-N 3.15Å
275K36.1Very low47.8Very low165 Ų16584 Ų8472%0.71745%0.45SS*.  -95.390.9129.6-75.7173.4-174.1155.80108.8T272 R277T272-K275 HydrophobicContact CG2-CB 3.94Å; K275-R277 PolarHBondContact O-N 3.27Å
276S40.4Very low48.3Very low78 Ų7886.9 Ų86.955%0.54548%0.477SS..  trans-47.2120.2158.860.90000106.8G278S276-G278 PolarHBondContact O-N 2.67Å
277R50.1Low48.7Very low89 Ų8990.2 Ų90.234%0.33650%0.501SS..  trans-18.5117.5-174.6169.3-166.4-106.7-153.911109.7K275 H279 K280 E304K275-R277 PolarHBondContact O-N 3.27Å; R277-H279 CarbonylContact O-C 3.51Å; R277-H279 PolarHBondContact O-N 2.8Å; R277-K280 HydrophobicContact CB-CB 3.93Å; R277-K280 HydrophobicContact CG-CB 3.83Å; R277-K280 CarbonylContact O-C 3.57Å; R277-K280 PolarHBondContact O-N 3.25Å; R277-E304 VanDerWaalsContact CB-OE1 3.31Å; R277-E304 WeakPolarHBondContact CB-OE1 3.12Å; R277-E304 VanDerWaalsContact CG-OE1 3.31Å; R277-E304 WeakPolarHBondContact CG-OE1 3.43Å; R277-E304 VanDerWaalsContact CG-OE2 3.29Å; R277-E304 WeakPolarHBondContact CG-OE2 3.36Å; R277-E304 IonicContact NE-OE1 3.97Å
278G54.2Low49.3Very low64 Ų6490 Ų9066%0.6649%0.494SS*.THydrogen-bonded Turntrans-56.1-14.2-172.400000114.1S276S276-G278 PolarHBondContact O-N 2.67Å
279H62.4Low49.6Very low40 Ų4089.4 Ų89.419%0.18549%0.489CS..THydrogen-bonded Turntrans-120.333.8175.7-35.6-90.2000112.7R277 I293 D294 A296R277-H279 CarbonylContact O-C 3.51Å; R277-H279 PolarHBondContact O-N 2.8Å; H279-I293 CarbonylContact O-C 3.53Å; H279-I293 WeakPolarHBondContact O-CA 3.46Å; H279-I293 WeakPolarHBondContact O-CG2 3.42Å; H279-D294 HydrophobicContact CB-CB 4.06Å; H279-D294 PolarHBondContact O-N 2.87Å; H279-A296 HydrophobicContact CB-CB 3.71Å; H279-A296 WeakPolarHBondContact ND1-CB 3.3Å
280K61.6Low50.2Low60 Ų6088.6 Ų88.626%0.26149%0.485SS..EExtended strand (participates in β ladder)trans-157.898.5165.9-175.3-156.997.7153.90111.6R277 T282 S291 I292 I293R277-K280 HydrophobicContact CB-CB 3.93Å; R277-K280 HydrophobicContact CG-CB 3.83Å; R277-K280 CarbonylContact O-C 3.57Å; R277-K280 PolarHBondContact O-N 3.25Å; K280-T282 WeakPolarHBondContact CE-OG1 3.24Å; K280-T282 PolarHBondContact NZ-OG1 3.29Å; K280-T282 PolarHBondContact O-N 2.8Å; K280-S291 VanDerWaalsContact CD-CB 3.47Å; K280-I292 WeakPolarHBondContact CA-O 3.43Å; K280-I293 HydrophobicContact CB-CG1 4.02Å; K280-I293 HydrophobicContact CD-CG1 4.27Å; K280-I293 HydrophobicContact CG-CG1 3.72Å
281T65.7Low51Low66 Ų6689.3 Ų89.341%0.40549%0.491SS..EExtended strand (participates in β ladder)trans-71.3120.8163.3-44.20000109.3L283 S291 I292T281-L283 HydrophobicContact CG2-CD2 3.66Å; T281-S291 CarbonylContact O-C 3.51Å; T281-S291 WeakPolarHBondContact O-CA 3.31Å; T281-I292 PolarHBondContact N-O 2.77Å; T281-I292 WeakPolarHBondContact O-CB 3.45Å; T281-I292 PolarHBondContact O-N 2.89Å
282T53.2Low52.6Low51 Ų5186.4 Ų86.431%0.31348%0.475SS..EExtended strand (participates in β ladder)trans-82.4131164.7-52.90000107.1K280 M289 T290K280-T282 WeakPolarHBondContact CE-OG1 3.24Å; K280-T282 PolarHBondContact NZ-OG1 3.29Å; K280-T282 PolarHBondContact O-N 2.8Å; T282-M289 HydrophobicContact CG2-CG 3.51Å; T282-M289 HydrophobicContact CG2-SD 3.58Å; T282-M289 VanDerWaalsContact CG2-SD 3.58Å; T282-T290 WeakPolarHBondContact CA-O 3.29Å; T282-T290 WeakPolarHBondContact CG2-O 3.31Å
283L62.1Low54.2Low65 Ų6587.4 Ų87.434%0.3448%0.478SS..EExtended strand (participates in β ladder)trans-111.3137163.2-30.7170.9000108.3T281 F285 T290 I292T281-L283 HydrophobicContact CG2-CD2 3.66Å; L283-F285 HydrophobicContact CB-CE2 3.97Å; L283-F285 HydrophobicContact CB-CZ 4.36Å; L283-F285 HydrophobicContact CD1-CE2 4.16Å; L283-F285 HydrophobicContact CD1-CZ 3.98Å; L283-T290 HydrophobicContact CB-CG2 3.3Å; L283-T290 HydrophobicContact CD1-CG2 3.82Å; L283-T290 HydrophobicContact CG-CG2 3.47Å; L283-T290 VanDerWaalsContact CG-CG2 3.47Å; L283-T290 PolarHBondContact N-O 3.32Å; L283-T290 VanDerWaalsContact N-O 3.16Å; L283-T290 VanDerWaalsContact O-CG2 3.31Å; L283-T290 WeakPolarHBondContact O-CG2 3.37Å; L283-T290 PolarHBondContact O-N 2.88Å; L283-I292 HydrophobicContact CD1-CD1 3.55Å; L283-I292 HydrophobicContact CG-CD1 3.95Å
284T58.2Low55.8Low115 Ų11583.6 Ų83.671%0.70646%0.463SS*.EExtended strand (participates in β ladder)trans-107.1114.8177.842.30000108.1M289T284-M289 HydrophobicContact CG2-CG 4.19Å; T284-M289 HydrophobicContact CG2-SD 4.42Å
285F61.2Low57.7Low94 Ų9483.4 Ų83.441%0.41246%0.457SS..EExtended strand (participates in β ladder)trans-102.6155.9170.2-59.3-90.8000108.6L283 S287 Y288 T290L283-F285 HydrophobicContact CB-CE2 3.97Å; L283-F285 HydrophobicContact CB-CZ 4.36Å; L283-F285 HydrophobicContact CD1-CE2 4.16Å; L283-F285 HydrophobicContact CD1-CZ 3.98Å; F285-S287 PolarHBondContact O-N 2.77Å; F285-Y288 WeakPolarHBondContact CA-O 3.15Å; F285-Y288 HydrophobicContact CB-CD1 4.47Å; F285-Y288 HydrophobicContact CB-CD2 4.11Å; F285-Y288 HydrophobicContact CB-CE1 4.32Å; F285-Y288 HydrophobicContact CB-CE2 3.98Å; F285-Y288 HydrophobicContact CB-CG 4.37Å; F285-Y288 WeakPolarHBondContact CB-O 3.33Å; F285-Y288 AromaticContact CD2-CD2 3.61Å; F285-Y288 HydrophobicContact CD2-CD2 3.61Å; F285-Y288 AromaticContact CD2-CE2 3.07Å; F285-Y288 HydrophobicContact CD2-CE2 3.07Å; F285-Y288 AromaticContact CD2-CZ 3.72Å; F285-Y288 HydrophobicContact CE2-CD2 4.4Å; F285-Y288 AromaticContact CE2-CE2 3.56Å; F285-Y288 HydrophobicContact CE2-CE2 3.56Å; F285-Y288 HydrophobicContact CG-CD2 4.19Å; F285-Y288 AromaticContact CG-CE2 3.66Å; F285-Y288 HydrophobicContact CG-CE2 3.66Å; F285-Y288 AromaticContact CG-CZ 3.84Å; F285-Y288 HydrophobicContact CZ-CE2 4.5Å; F285-Y288 PolarHBondContact N-O 2.67Å; F285-Y288 PolarHBondContact O-N 2.75Å; F285-Y288 VanDerWaalsContact O-N 3.1Å; F285-Y288 VanDerWaalsContact O-O 3.08Å; F285-T290 HydrophobicContact CD2-CG2 4.36Å; F285-T290 HydrophobicContact CE2-CG2 3.7Å
286A51.5Low59.3Low121 Ų12176.3 Ų76.3100%143%0.43SS*.THydrogen-bonded Turntrans-54.1-25.7-173.700000114.9
287S48.5Very low60.9Low104 Ų10476.8 Ų76.873%0.72743%0.426SS*.THydrogen-bonded Turntrans-117.5-2.9179.256.40000115.1F285F285-S287 PolarHBondContact O-N 2.77Å
288Y54.4Low62.1Low88 Ų8876.4 Ų76.435%0.34544%0.435SS..EExtended strand (participates in β ladder)trans-164.5154.2179.261.9-101.7000114.5L4 A6 F285L4-Y288 HydrophobicContact CD1-CD2 4.23Å; L4-Y288 HydrophobicContact CD1-CE2 3.65Å; L4-Y288 HydrophobicContact CD2-CD2 3.24Å; L4-Y288 HydrophobicContact CD2-CE2 3.59Å; L4-Y288 HydrophobicContact CD2-CG 4.18Å; L4-Y288 HydrophobicContact CG-CD2 4.34Å; L4-Y288 HydrophobicContact CG-CE2 4.25Å; A6-Y288 HydrophobicContact CB-CG 4.4Å; F285-Y288 WeakPolarHBondContact CA-O 3.15Å; F285-Y288 HydrophobicContact CB-CD1 4.47Å; F285-Y288 HydrophobicContact CB-CD2 4.11Å; F285-Y288 HydrophobicContact CB-CE1 4.32Å; F285-Y288 HydrophobicContact CB-CE2 3.98Å; F285-Y288 HydrophobicContact CB-CG 4.37Å; F285-Y288 WeakPolarHBondContact CB-O 3.33Å; F285-Y288 AromaticContact CD2-CD2 3.61Å; F285-Y288 HydrophobicContact CD2-CD2 3.61Å; F285-Y288 AromaticContact CD2-CE2 3.07Å; F285-Y288 HydrophobicContact CD2-CE2 3.07Å; F285-Y288 AromaticContact CD2-CZ 3.72Å; F285-Y288 HydrophobicContact CE2-CD2 4.4Å; F285-Y288 AromaticContact CE2-CE2 3.56Å; F285-Y288 HydrophobicContact CE2-CE2 3.56Å; F285-Y288 HydrophobicContact CG-CD2 4.19Å; F285-Y288 AromaticContact CG-CE2 3.66Å; F285-Y288 HydrophobicContact CG-CE2 3.66Å; F285-Y288 AromaticContact CG-CZ 3.84Å; F285-Y288 HydrophobicContact CZ-CE2 4.5Å; F285-Y288 PolarHBondContact N-O 2.67Å; F285-Y288 PolarHBondContact O-N 2.75Å; F285-Y288 VanDerWaalsContact O-N 3.1Å; F285-Y288 VanDerWaalsContact O-O 3.08Å
289M49.5Very low62.8Low125 Ų12576.9 Ų76.962%0.61643%0.428SS*.EExtended strand (participates in β ladder)trans-106.2121.2175.1-175.3174.757.800111.7L4 T282 T284L4-M289 WeakPolarHBondContact CD2-O 3.42Å; T282-M289 HydrophobicContact CG2-CG 3.51Å; T282-M289 HydrophobicContact CG2-SD 3.58Å; T282-M289 VanDerWaalsContact CG2-SD 3.58Å; T284-M289 HydrophobicContact CG2-CG 4.19Å; T284-M289 HydrophobicContact CG2-SD 4.42Å
290T59Low63.1Low10 Ų1076.9 Ų76.96%0.06143%0.429CS..EExtended strand (participates in β ladder)trans-92.6161170.8-175.40000111.6L4 T282 L283 F285 I292L4-T290 VanDerWaalsContact CD2-CA 3.42Å; L4-T290 VanDerWaalsContact CD2-CB 3.49Å; L4-T290 WeakPolarHBondContact CG-OG1 3.33Å; T282-T290 WeakPolarHBondContact CA-O 3.29Å; T282-T290 WeakPolarHBondContact CG2-O 3.31Å; L283-T290 HydrophobicContact CB-CG2 3.3Å; L283-T290 HydrophobicContact CD1-CG2 3.82Å; L283-T290 HydrophobicContact CG-CG2 3.47Å; L283-T290 VanDerWaalsContact CG-CG2 3.47Å; L283-T290 PolarHBondContact N-O 3.32Å; L283-T290 VanDerWaalsContact N-O 3.16Å; L283-T290 VanDerWaalsContact O-CG2 3.31Å; L283-T290 WeakPolarHBondContact O-CG2 3.37Å; L283-T290 PolarHBondContact O-N 2.88Å; F285-T290 HydrophobicContact CD2-CG2 4.36Å; F285-T290 HydrophobicContact CE2-CG2 3.7Å; T290-I292 HydrophobicContact CG2-CG1 4.49Å
291S62.3Low63.4Low33 Ų3376.9 Ų76.923%0.23143%0.434CS..EExtended strand (participates in β ladder)trans-137.4131.4156.479.20000113.3K280 T281K280-S291 VanDerWaalsContact CD-CB 3.47Å; T281-S291 CarbonylContact O-C 3.51Å; T281-S291 WeakPolarHBondContact O-CA 3.31Å
292I66.2Low63.6Low45 Ų4580.5 Ų80.523%0.23144%0.444CS..EExtended strand (participates in β ladder)trans-104.175.1-168.3-82.1-177.2000107R2 K280 T281 L283 T290 D294R2-I292 PolarHBondContact NH2-O 3.38Å; K280-I292 WeakPolarHBondContact CA-O 3.43Å; T281-I292 PolarHBondContact N-O 2.77Å; T281-I292 WeakPolarHBondContact O-CB 3.45Å; T281-I292 PolarHBondContact O-N 2.89Å; L283-I292 HydrophobicContact CD1-CD1 3.55Å; L283-I292 HydrophobicContact CG-CD1 3.95Å; T290-I292 HydrophobicContact CG2-CG1 4.49Å; I292-D294 PolarHBondContact O-N 3.28Å
293I73.5Confident64.4Low74 Ų7483.1 Ų83.138%0.37945%0.449SS..EExtended strand (participates in β ladder)trans-67.5111.3178.1-59.4170.6000110.6R2 H279 K280R2-I293 VanDerWaalsContact NE-C 3.31Å; R2-I293 PolarHBondContact NE-O 2.58Å; R2-I293 VanDerWaalsContact NH2-C 3.26Å; R2-I293 PolarHBondContact NH2-O 3.45Å; H279-I293 CarbonylContact O-C 3.53Å; H279-I293 WeakPolarHBondContact O-CA 3.46Å; H279-I293 WeakPolarHBondContact O-CG2 3.42Å; K280-I293 HydrophobicContact CB-CG1 4.02Å; K280-I293 HydrophobicContact CD-CG1 4.27Å; K280-I293 HydrophobicContact CG-CG1 3.72Å
294D70.3Confident64.3Low67 Ų6781.4 Ų81.436%0.35844%0.439SS..  trans-72.8161.8172.1-66.2-74.2000111.1R2 H279 I292R2-D294 IonicContact CZ-OD1 3.22Å; R2-D294 IonicContact NH1-OD1 2.88Å; R2-D294 VanDerWaalsContact NH2-CA 3.27Å; R2-D294 VanDerWaalsContact NH2-N 3.11Å; R2-D294 IonicContact NH2-OD1 3.18Å; R2-D294 PolarHBondContact NH2-OD1 3.36Å; R2-D294 IonicContact NH2-OD2 2.67Å; R2-D294 PolarHBondContact NH2-OD2 3.31Å; H279-D294 HydrophobicContact CB-CB 4.06Å; H279-D294 PolarHBondContact O-N 2.87Å; I292-D294 PolarHBondContact O-N 3.28Å
295Y71.8Confident64.6Low198 Ų19879.5 Ų79.578%0.77642%0.424SS*.  trans-66140.5164.1-170.5-93.1000109.2
296A69.3Low64.9Low16 Ų1679 Ų7913%0.13243%0.426CS..  trans-138.4137.2-173.900000107.5H279 V301H279-A296 HydrophobicContact CB-CB 3.71Å; H279-A296 WeakPolarHBondContact ND1-CB 3.3Å; A296-V301 HydrophobicContact CB-CG2 3.38Å
297D74.3Confident65.3Low88 Ų8876 Ų7647%0.47139%0.391SS..  trans-62.1137.9172.2-75.2-27.3000109S299 D300 V301D297-S299 WeakPolarHBondContact CB-OG 3.46Å; D297-S299 PolarHBondContact O-N 3.27Å; D297-D300 PolarHBondContact O-N 2.94Å; D297-V301 PolarHBondContact O-N 3.2Å; D297-V301 VanDerWaalsContact O-N 3.16Å
298P74.3Confident65.9Low80 Ų8075.3 Ų75.352%0.51938%0.375SS..Hα-helixtrans-63.4-16.5-175.824.6-34.1000112.8K302P298-K302 WeakPolarHBondContact O-CB 3.24Å; P298-K302 VanDerWaalsContact O-CD 3.31Å; P298-K302 WeakPolarHBondContact O-CD 3.37Å; P298-K302 WeakPolarHBondContact O-CG 3.15Å; P298-K302 PolarHBondContact O-N 3.2Å
299S70.3Confident66.1Low75 Ų7574.4 Ų74.452%0.52437%0.373SS..Hα-helixtrans-66-47.5166.537.20000112.7D297 K302 R303D297-S299 WeakPolarHBondContact CB-OG 3.46Å; D297-S299 PolarHBondContact O-N 3.27Å; S299-K302 PolarHBondContact O-N 3.01Å; S299-R303 PolarHBondContact O-N 3.23Å
300D68.7Low66.5Low39 Ų3971.7 Ų71.721%0.20936%0.358CS..Hα-helixtrans-68-42.9-179.5-70.7-31.3000111.2D297 K302 R303 E304D297-D300 PolarHBondContact O-N 2.94Å; D300-K302 VanDerWaalsContact C-N 3.29Å; D300-K302 PolarHBondContact O-N 2.66Å; D300-R303 PolarHBondContact O-N 3.31Å; D300-R303 VanDerWaalsContact O-N 3.14Å; D300-R303 IonicContact OD1-CZ 2.74Å; D300-R303 IonicContact OD1-NH1 3.19Å; D300-R303 PolarHBondContact OD1-NH1 2.9Å; D300-R303 IonicContact OD1-NH2 2.76Å; D300-R303 PolarHBondContact OD1-NH2 2.69Å; D300-E304 PolarHBondContact O-N 2.6Å
301V66.7Low66.6Low60 Ų6074.2 Ų74.236%0.36437%0.367SS..Hα-helixtrans-60.5-39.7174.6-1760000111.3A296 D297 N305A296-V301 HydrophobicContact CB-CG2 3.38Å; D297-V301 PolarHBondContact O-N 3.2Å; D297-V301 VanDerWaalsContact O-N 3.16Å; V301-N305 WeakPolarHBondContact O-CB 3.31Å; V301-N305 PolarHBondContact O-N 3.41Å
302K70.6Confident67.1Low142 Ų14276.5 Ų76.562%0.61738%0.376SS*.Hα-helixtrans-66.6-40.3175.2-78.2170.9-174.6177.10111.8P298 S299 D300 N306P298-K302 WeakPolarHBondContact O-CB 3.24Å; P298-K302 VanDerWaalsContact O-CD 3.31Å; P298-K302 WeakPolarHBondContact O-CD 3.37Å; P298-K302 WeakPolarHBondContact O-CG 3.15Å; P298-K302 PolarHBondContact O-N 3.2Å; S299-K302 PolarHBondContact O-N 3.01Å; D300-K302 VanDerWaalsContact C-N 3.29Å; D300-K302 PolarHBondContact O-N 2.66Å; K302-N306 WeakPolarHBondContact O-CB 3.5Å; K302-N306 PolarHBondContact O-N 3.4Å; K302-N306 PolarHBondContact O-ND2 2.8Å
303R68.8Low68Low106 Ų10674.6 Ų74.640%0.437%0.367SS..Hα-helixtrans-62.1-53.7176.1-173.6-179.763.6-110.9-12.1111S299 D300 N305 N306 E307S299-R303 PolarHBondContact O-N 3.23Å; D300-R303 PolarHBondContact O-N 3.31Å; D300-R303 VanDerWaalsContact O-N 3.14Å; D300-R303 IonicContact OD1-CZ 2.74Å; D300-R303 IonicContact OD1-NH1 3.19Å; D300-R303 PolarHBondContact OD1-NH1 2.9Å; D300-R303 IonicContact OD1-NH2 2.76Å; D300-R303 PolarHBondContact OD1-NH2 2.69Å; R303-N305 VanDerWaalsContact C-N 3.29Å; R303-N305 PolarHBondContact O-N 2.87Å; R303-N306 WeakPolarHBondContact O-CB 3.03Å; R303-N306 PolarHBondContact O-N 3.45Å; R303-E307 VanDerWaalsContact CG-OE1 3.3Å; R303-E307 WeakPolarHBondContact CG-OE1 3.34Å; R303-E307 IonicContact NE-OE1 3.7Å; R303-E307 WeakPolarHBondContact O-CG 2.9Å; R303-E307 PolarHBondContact O-N 3.41Å
304E61.3Low68.6Low30 Ų3072.3 Ų72.314%0.1435%0.354CS..Hα-helixtrans-59.1-39178.8-170.1-163.913100112.1R277 D300 E307 K308R277-E304 VanDerWaalsContact CB-OE1 3.31Å; R277-E304 WeakPolarHBondContact CB-OE1 3.12Å; R277-E304 VanDerWaalsContact CG-OE1 3.31Å; R277-E304 WeakPolarHBondContact CG-OE1 3.43Å; R277-E304 VanDerWaalsContact CG-OE2 3.29Å; R277-E304 WeakPolarHBondContact CG-OE2 3.36Å; R277-E304 IonicContact NE-OE1 3.97Å; D300-E304 PolarHBondContact O-N 2.6Å; E304-E307 WeakPolarHBondContact CA-OE2 3.35Å; E304-E307 PolarHBondContact O-N 3.04Å; E304-K308 WeakPolarHBondContact O-CG 3.27Å; E304-K308 PolarHBondContact O-N 2.63Å; E304-K308 WeakPolarHBondContact OE1-CE 3.46Å; E304-K308 IonicContact OE1-NZ 3.7Å; E304-K308 PolarHBondContact OE1-NZ 3.33Å
305N64.6Low69.4Low74 Ų7478.4 Ų78.440%0.39637%0.372SS..Hα-helixtrans-69.9-36.2177.3-162.146.4000112V301 R303 K308 F309V301-N305 WeakPolarHBondContact O-CB 3.31Å; V301-N305 PolarHBondContact O-N 3.41Å; R303-N305 VanDerWaalsContact C-N 3.29Å; R303-N305 PolarHBondContact O-N 2.87Å; N305-K308 PolarHBondContact O-N 2.97Å; N305-F309 WeakPolarHBondContact ND2-CE2 3.33Å; N305-F309 WeakPolarHBondContact O-CD2 3.29Å; N305-F309 PolarHBondContact O-N 3.17Å
306N66.1Low70.2Confident84 Ų8471.9 Ų71.945%0.44935%0.349SS..Hα-helixtrans-68.4-38.4174.2-74-11.6000112.4K302 R303 F309 K310K302-N306 WeakPolarHBondContact O-CB 3.5Å; K302-N306 PolarHBondContact O-N 3.4Å; K302-N306 PolarHBondContact O-ND2 2.8Å; R303-N306 WeakPolarHBondContact O-CB 3.03Å; R303-N306 PolarHBondContact O-N 3.45Å; N306-F309 PolarHBondContact O-N 3.42Å; N306-K310 PolarHBondContact O-N 3.02Å
307E61.3Low71.3Confident58 Ų5871.1 Ų71.127%0.27134%0.342SS..Hα-helixtrans-59.7-50.6171.8-72.1160.1-178.400110.3R303 E304 F309 K310 Y311R303-E307 VanDerWaalsContact CG-OE1 3.3Å; R303-E307 WeakPolarHBondContact CG-OE1 3.34Å; R303-E307 IonicContact NE-OE1 3.7Å; R303-E307 WeakPolarHBondContact O-CG 2.9Å; R303-E307 PolarHBondContact O-N 3.41Å; E304-E307 WeakPolarHBondContact CA-OE2 3.35Å; E304-E307 PolarHBondContact O-N 3.04Å; E307-F309 PolarHBondContact O-N 3.41Å; E307-K310 WeakPolarHBondContact O-CB 3.45Å; E307-K310 PolarHBondContact O-N 2.83Å; E307-Y311 HydrophobicContact CB-CE2 4.35Å; E307-Y311 WeakPolarHBondContact O-CD2 3.34Å; E307-Y311 PolarHBondContact O-N 3.36Å
308K60Low72.1Confident90 Ų9069.2 Ų69.239%0.39133%0.328SS..Hα-helixtrans-55.8-36.3174.3-75.3170.9178.7175.90113.7E304 N305 K310 Y311 N312E304-K308 WeakPolarHBondContact O-CG 3.27Å; E304-K308 PolarHBondContact O-N 2.63Å; E304-K308 WeakPolarHBondContact OE1-CE 3.46Å; E304-K308 IonicContact OE1-NZ 3.7Å; E304-K308 PolarHBondContact OE1-NZ 3.33Å; N305-K308 PolarHBondContact O-N 2.97Å; K308-K310 VanDerWaalsContact C-N 3.32Å; K308-K310 PolarHBondContact O-N 3.39Å; K308-Y311 PolarHBondContact O-N 2.97Å; K308-N312 WeakPolarHBondContact O-CB 3.01Å; K308-N312 PolarHBondContact O-N 3.25Å; K308-N312 PolarHBondContact O-ND2 3.34Å; K308-N312 PolarHBondContact O-OD1 3.45Å
309F59Low72.9Confident68 Ų6867.1 Ų67.130%0.29832%0.318SS..Hα-helixtrans-67.3-27.4174.5-76.8-56.1000114.1N305 N306 E307 I313 R352N305-F309 WeakPolarHBondContact ND2-CE2 3.33Å; N305-F309 WeakPolarHBondContact O-CD2 3.29Å; N305-F309 PolarHBondContact O-N 3.17Å; N306-F309 PolarHBondContact O-N 3.42Å; E307-F309 PolarHBondContact O-N 3.41Å; F309-I313 WeakPolarHBondContact O-CD1 3.27Å; F309-I313 WeakPolarHBondContact O-CG1 3.47Å; F309-I313 PolarHBondContact O-N 3.21Å; F309-R352 VanDerWaalsContact CB-NH1 3.27Å; F309-R352 VanDerWaalsContact CG-NH1 3.3Å
310K58.6Low74Confident68 Ų6863.5 Ų63.530%0.29629%0.293SS..Hα-helixtrans-69.4-51.1172.8-65.4178.9173.1-172.70110.6N306 E307 K308 N312 I313 K314 I342N306-K310 PolarHBondContact O-N 3.02Å; E307-K310 WeakPolarHBondContact O-CB 3.45Å; E307-K310 PolarHBondContact O-N 2.83Å; K308-K310 VanDerWaalsContact C-N 3.32Å; K308-K310 PolarHBondContact O-N 3.39Å; K310-N312 VanDerWaalsContact C-N 3.31Å; K310-N312 PolarHBondContact O-N 3.04Å; K310-I313 PolarHBondContact O-N 3.4Å; K310-K314 PolarHBondContact O-N 2.75Å; K310-K314 VanDerWaalsContact O-N 3.16Å; K310-I342 HydrophobicContact CD-CD1 4.34Å
311Y59.7Low75.1Confident63 Ų6361.7 Ų61.725%0.24728%0.283CS..Hα-helixtrans-57.9-41.7178.1-64.3-62.7000112.3D270 T272 E307 K308 I313 K314 R315D270-Y311 WeakPolarHBondContact OD1-CE1 3.32Å; T272-Y311 WeakPolarHBondContact CB-OH 3.46Å; T272-Y311 PolarHBondContact N-OH 3.44Å; T272-Y311 PolarHBondContact OG1-OH 3.48Å; E307-Y311 HydrophobicContact CB-CE2 4.35Å; E307-Y311 WeakPolarHBondContact O-CD2 3.34Å; E307-Y311 PolarHBondContact O-N 3.36Å; K308-Y311 PolarHBondContact O-N 2.97Å; Y311-I313 VanDerWaalsContact C-N 3.29Å; Y311-I313 PolarHBondContact O-N 3.34Å; Y311-K314 PolarHBondContact O-N 3.05Å; Y311-R315 PolarHBondContact O-N 3.38Å
312N72.9Confident76.3Confident81 Ų8163.8 Ų63.843%0.43330%0.296SS..Hα-helixtrans-60.4-36.5175.7-71.8-10000112.7K308 K310 R315 E316K308-N312 WeakPolarHBondContact O-CB 3.01Å; K308-N312 PolarHBondContact O-N 3.25Å; K308-N312 PolarHBondContact O-ND2 3.34Å; K308-N312 PolarHBondContact O-OD1 3.45Å; K310-N312 VanDerWaalsContact C-N 3.31Å; K310-N312 PolarHBondContact O-N 3.04Å; N312-R315 PolarHBondContact O-N 3.16Å; N312-E316 WeakPolarHBondContact O-CG 3.49Å; N312-E316 PolarHBondContact O-N 2.98Å
313I85.4Confident77.3Confident6 Ų660.4 Ų60.43%0.03129%0.285CS..Hα-helixtrans-72.7-42.8179.6-69.1168.7000111.4F309 K310 Y311 R315 E316 M317 F338 R352 A356F309-I313 WeakPolarHBondContact O-CD1 3.27Å; F309-I313 WeakPolarHBondContact O-CG1 3.47Å; F309-I313 PolarHBondContact O-N 3.21Å; K310-I313 PolarHBondContact O-N 3.4Å; Y311-I313 VanDerWaalsContact C-N 3.29Å; Y311-I313 PolarHBondContact O-N 3.34Å; I313-R315 PolarHBondContact O-N 3.39Å; I313-E316 PolarHBondContact O-N 2.82Å; I313-E316 VanDerWaalsContact O-N 3.17Å; I313-M317 HydrophobicContact CG2-CG 4.44Å; I313-M317 HydrophobicContact CG2-SD 4.34Å; I313-M317 WeakPolarHBondContact O-CG 3.46Å; I313-M317 PolarHBondContact O-N 2.76Å; I313-F338 HydrophobicContact CB-CZ 4.38Å; I313-F338 HydrophobicContact CG2-CE1 4.05Å; I313-F338 HydrophobicContact CG2-CE2 4.23Å; I313-F338 HydrophobicContact CG2-CZ 3.67Å; I313-R352 HydrophobicContact CD1-CB 3.78Å; I313-R352 HydrophobicContact CD1-CG 3.57Å; I313-A356 HydrophobicContact CG2-CB 3.52Å
314K87.1Confident78.3Confident26 Ų2655.6 Ų55.611%0.11327%0.268CS..Hα-helixtrans-56.7-41172.4-72.7-176.1171.6-176.20111.3D270 K310 Y311 M317 R318 V335 D339D270-K314 IonicContact OD1-NZ 2.65Å; D270-K314 PolarHBondContact OD1-NZ 3.47Å; D270-K314 IonicContact OD2-NZ 3.02Å; D270-K314 PolarHBondContact OD2-NZ 2.97Å; K310-K314 PolarHBondContact O-N 2.75Å; K310-K314 VanDerWaalsContact O-N 3.16Å; Y311-K314 PolarHBondContact O-N 3.05Å; K314-M317 WeakPolarHBondContact O-CB 3.47Å; K314-M317 PolarHBondContact O-N 3.19Å; K314-R318 PolarHBondContact O-N 2.74Å; K314-V335 HydrophobicContact CD-CG1 4.33Å; K314-D339 VanDerWaalsContact CE-CG 3.49Å; K314-D339 WeakPolarHBondContact CE-OD1 3.36Å; K314-D339 VanDerWaalsContact CE-OD2 3.27Å; K314-D339 WeakPolarHBondContact CE-OD2 3.25Å; K314-D339 IonicContact NZ-OD1 2.82Å; K314-D339 PolarHBondContact NZ-OD1 2.88Å; K314-D339 IonicContact NZ-OD2 2.66Å; K314-D339 PolarHBondContact NZ-OD2 2.92Å
315R86.1Confident79.6Confident194 Ų19461 Ų6173%0.73229%0.293SS*.Hα-helixtrans-68-39.4175.1-168.7177.4-179177.93.3113.5Y311 N312 I313 R318 A319Y311-R315 PolarHBondContact O-N 3.38Å; N312-R315 PolarHBondContact O-N 3.16Å; I313-R315 PolarHBondContact O-N 3.39Å; R315-R318 PolarHBondContact O-N 3.03Å; R315-A319 PolarHBondContact O-N 3.47Å
316E89Confident80.9Confident62 Ų6258.1 Ų58.129%0.2928%0.277SS..Hα-helixtrans-62.8-43.2172.1-78.4174-137.300111N312 I313 R318 A319 I320 K353 F385N312-E316 WeakPolarHBondContact O-CG 3.49Å; N312-E316 PolarHBondContact O-N 2.98Å; I313-E316 PolarHBondContact O-N 2.82Å; I313-E316 VanDerWaalsContact O-N 3.17Å; E316-R318 VanDerWaalsContact C-N 3.32Å; E316-R318 PolarHBondContact O-N 3.13Å; E316-A319 PolarHBondContact O-N 2.75Å; E316-I320 WeakPolarHBondContact O-CD1 3.35Å; E316-I320 VanDerWaalsContact O-CG1 3.3Å; E316-I320 WeakPolarHBondContact O-CG1 3.48Å; E316-I320 PolarHBondContact O-N 3.17Å; E316-K353 IonicContact OE2-NZ 2.6Å; E316-K353 PolarHBondContact OE2-NZ 3.41Å; E316-F385 HydrophobicContact CB-CD1 4.37Å; E316-F385 HydrophobicContact CB-CE1 3.62Å; E316-F385 HydrophobicContact CB-CZ 4.43Å; E316-F385 WeakPolarHBondContact OE2-CD1 3.4Å
317M93Very high82.1Confident0 Ų059.9 Ų59.90%028%0.283CS..Hα-helixtrans-58.4-42.6174.8-71172.171.800112.1I313 K314 I320 A321 L331 A334 V335 F338 A356 C359 L360 F385I313-M317 HydrophobicContact CG2-CG 4.44Å; I313-M317 HydrophobicContact CG2-SD 4.34Å; I313-M317 WeakPolarHBondContact O-CG 3.46Å; I313-M317 PolarHBondContact O-N 2.76Å; K314-M317 WeakPolarHBondContact O-CB 3.47Å; K314-M317 PolarHBondContact O-N 3.19Å; M317-I320 PolarHBondContact O-N 3.23Å; M317-A321 PolarHBondContact O-N 3.15Å; M317-L331 HydrophobicContact CB-CD1 4.42Å; M317-A334 HydrophobicContact CE-CB 4.21Å; M317-V335 HydrophobicContact CE-CG2 4.3Å; M317-F338 HydrophobicContact CE-CB 4.18Å; M317-F338 HydrophobicContact SD-CB 4.3Å; M317-F338 HydrophobicContact SD-CD1 4.3Å; M317-F338 HydrophobicContact SD-CG 4.13Å; M317-A356 HydrophobicContact CG-CB 3.91Å; M317-A356 HydrophobicContact SD-CB 3.77Å; M317-C359 HydrophobicContact CE-CB 4.36Å; M317-L360 HydrophobicContact CB-CD1 4.24Å; M317-L360 HydrophobicContact CB-CD2 4.34Å; M317-L360 HydrophobicContact CE-CD2 4.14Å; M317-L360 HydrophobicContact CE-CG 4.04Å; M317-L360 HydrophobicContact CG-CD1 4.19Å; M317-L360 HydrophobicContact CG-CG 4.43Å; M317-F385 HydrophobicContact CG-CZ 3.85Å
318R90.9Very high83.6Confident47 Ų4759.9 Ų59.918%0.17728%0.284CS..Hα-helixtrans-64.8-44.9177.8-177.1167.5-179.3-137.3-14.3112.3K314 R315 E316 I320 A321 T322 L331 L421 E424 S425K314-R318 PolarHBondContact O-N 2.74Å; R315-R318 PolarHBondContact O-N 3.03Å; E316-R318 VanDerWaalsContact C-N 3.32Å; E316-R318 PolarHBondContact O-N 3.13Å; R318-I320 VanDerWaalsContact C-N 3.35Å; R318-I320 PolarHBondContact O-N 2.88Å; R318-A321 PolarHBondContact O-N 3.36Å; R318-T322 PolarHBondContact O-N 3.47Å; R318-T322 PolarHBondContact O-OG1 3Å; R318-L331 HydrophobicContact CB-CD2 3.94Å; R318-L331 HydrophobicContact CG-CD2 3.75Å; R318-L421 HydrophobicContact CG-CD2 4.47Å; R318-E424 VanDerWaalsContact CZ-O 3.25Å; R318-E424 IonicContact CZ-OE2 2.73Å; R318-E424 PolarHBondContact NH1-O 2.95Å; R318-E424 IonicContact NH1-OE2 3.98Å; R318-E424 PolarHBondContact NH1-OE2 3.06Å; R318-E424 PolarHBondContact NH2-O 2.96Å; R318-S425 PolarHBondContact NH2-OG 3.37Å
319A90.9Very high85.1Confident36 Ų3657.3 Ų57.330%0.29828%0.28SS..Hα-helixtrans-58.8-45.9174.800000111.7R315 E316 A321 T322 D323R315-A319 PolarHBondContact O-N 3.47Å; E316-A319 PolarHBondContact O-N 2.75Å; A319-A321 VanDerWaalsContact C-N 3.32Å; A319-A321 PolarHBondContact O-N 3.1Å; A319-T322 PolarHBondContact O-N 3.28Å; A319-D323 WeakPolarHBondContact O-CB 3.16Å; A319-D323 PolarHBondContact O-N 3.13Å
320I93.1Very high86.7Confident0 Ų054.8 Ų54.80%027%0.269CS..Hα-helixtrans-57.6-44175.2-68.7161.1000111.4E316 M317 R318 D323 S324 L360 L377 N380 V381 R384 F385E316-I320 WeakPolarHBondContact O-CD1 3.35Å; E316-I320 VanDerWaalsContact O-CG1 3.3Å; E316-I320 WeakPolarHBondContact O-CG1 3.48Å; E316-I320 PolarHBondContact O-N 3.17Å; M317-I320 PolarHBondContact O-N 3.23Å; R318-I320 VanDerWaalsContact C-N 3.35Å; R318-I320 PolarHBondContact O-N 2.88Å; I320-D323 PolarHBondContact O-N 3.01Å; I320-S324 WeakPolarHBondContact O-CB 3.22Å; I320-S324 PolarHBondContact O-N 2.62Å; I320-S324 VanDerWaalsContact O-N 3.17Å; I320-S324 PolarHBondContact O-OG 3.45Å; I320-L360 HydrophobicContact CB-CD1 4.2Å; I320-L360 HydrophobicContact CD1-CD1 4.27Å; I320-L360 HydrophobicContact CG2-CD1 3.81Å; I320-L377 HydrophobicContact CG2-CD1 3.75Å; I320-N380 HydrophobicContact CG2-CB 4.17Å; I320-V381 HydrophobicContact CG2-CG2 3.69Å; I320-R384 HydrophobicContact CD1-CB 3.8Å; I320-R384 HydrophobicContact CD1-CG 4.45Å; I320-R384 HydrophobicContact CG1-CB 3.58Å; I320-R384 HydrophobicContact CG1-CG 3.66Å; I320-F385 HydrophobicContact CD1-CD1 4.21Å; I320-F385 HydrophobicContact CD1-CD2 3.84Å; I320-F385 HydrophobicContact CD1-CE1 3.92Å; I320-F385 HydrophobicContact CD1-CE2 3.48Å; I320-F385 VanDerWaalsContact CD1-CE2 3.48Å; I320-F385 HydrophobicContact CD1-CG 4.17Å; I320-F385 HydrophobicContact CD1-CZ 3.52Å
321A92.3Very high88.5Confident1 Ų151.7 Ų51.71%0.00826%0.255CS..Hα-helixtrans-65.3-43.1179.600000112.2M317 R318 A319 S324 E325 M326 L331M317-A321 PolarHBondContact O-N 3.15Å; R318-A321 PolarHBondContact O-N 3.36Å; A319-A321 VanDerWaalsContact C-N 3.32Å; A319-A321 PolarHBondContact O-N 3.1Å; A321-S324 PolarHBondContact O-N 3.26Å; A321-E325 PolarHBondContact O-N 3.3Å; A321-M326 HydrophobicContact CB-CB 4Å; A321-M326 HydrophobicContact CB-CG 4.29Å; A321-M326 HydrophobicContact CB-SD 4.21Å; A321-M326 WeakPolarHBondContact O-CB 3.45Å; A321-M326 PolarHBondContact O-N 3.26Å; A321-L331 HydrophobicContact CB-CB 4.27Å; A321-L331 HydrophobicContact CB-CD1 3.89Å; A321-L331 HydrophobicContact CB-CD2 4.06Å; A321-L331 HydrophobicContact CB-CG 4.28Å
322T91.2Very high90Very high103 Ų10348.7 Ų48.763%0.63224%0.244SC*.Hα-helixtrans-61.9-46174.2-55.80000111.8R318 A319 S324 E325R318-T322 PolarHBondContact O-N 3.47Å; R318-T322 PolarHBondContact O-OG1 3Å; A319-T322 PolarHBondContact O-N 3.28Å; T322-S324 PolarHBondContact O-N 2.9Å; T322-S324 VanDerWaalsContact O-N 3.12Å; T322-E325 PolarHBondContact O-N 2.59Å
323D91.5Very high91Very high72 Ų7245.3 Ų45.339%0.38523%0.226SC..Hα-helixtrans-63-16.6177.3-63.6-24.1000113A319 I320 N380 R384A319-D323 WeakPolarHBondContact O-CB 3.16Å; A319-D323 PolarHBondContact O-N 3.13Å; I320-D323 PolarHBondContact O-N 3.01Å; D323-N380 VanDerWaalsContact C-ND2 3.32Å; D323-N380 PolarHBondContact O-ND2 3.18Å; D323-R384 IonicContact OD1-NH2 3.1Å; D323-R384 PolarHBondContact OD1-NH2 2.97Å; D323-R384 IonicContact OD2-CZ 3.96Å; D323-R384 IonicContact OD2-NE 3.01Å; D323-R384 PolarHBondContact OD2-NE 3.23Å; D323-R384 IonicContact OD2-NH2 2.78Å; D323-R384 PolarHBondContact OD2-NH2 3.34Å
324S90.1Very high91.5Very high5 Ų545 Ų454%0.03522%0.224CC..THydrogen-bonded Turntrans-1106.9-174.3-48.90000114.3I320 A321 T322 M326 F369 L377 N380I320-S324 WeakPolarHBondContact O-CB 3.22Å; I320-S324 PolarHBondContact O-N 2.62Å; I320-S324 VanDerWaalsContact O-N 3.17Å; I320-S324 PolarHBondContact O-OG 3.45Å; A321-S324 PolarHBondContact O-N 3.26Å; T322-S324 PolarHBondContact O-N 2.9Å; T322-S324 VanDerWaalsContact O-N 3.12Å; S324-M326 PolarHBondContact O-N 3.43Å; S324-F369 WeakPolarHBondContact O-CZ 3.37Å; S324-L377 WeakPolarHBondContact OG-CA 3.46Å; S324-N380 PolarHBondContact OG-ND2 3.09Å
325E89.1Confident91.7Very high144 Ų14444.1 Ų44.167%0.67322%0.22SC*.THydrogen-bonded Turntrans54.533.2-170.5-55.4178.1-174.600113.9A321 T322 K373A321-E325 PolarHBondContact O-N 3.3Å; T322-E325 PolarHBondContact O-N 2.59Å; E325-K373 IonicContact OE2-NZ 3.37Å; E325-K373 PolarHBondContact OE2-NZ 3.13Å
326M91.7Very high91.9Very high12 Ų1235 Ų356%0.05919%0.186CC..  trans-86.7123.2179.4-179.6173.8146.900110.3A321 S324 M330 L331 A334 L360 F369 L377A321-M326 HydrophobicContact CB-CB 4Å; A321-M326 HydrophobicContact CB-CG 4.29Å; A321-M326 HydrophobicContact CB-SD 4.21Å; A321-M326 WeakPolarHBondContact O-CB 3.45Å; A321-M326 PolarHBondContact O-N 3.26Å; S324-M326 PolarHBondContact O-N 3.43Å; M326-M330 HydrophobicContact CE-CB 3.77Å; M326-M330 HydrophobicContact CG-CB 3.96Å; M326-M330 HydrophobicContact CG-CE 4.15Å; M326-M330 HydrophobicContact CG-SD 4.43Å; M326-L331 HydrophobicContact CE-CB 4.29Å; M326-A334 HydrophobicContact CE-CB 4.21Å; M326-L360 HydrophobicContact CE-CD2 3.68Å; M326-L360 HydrophobicContact SD-CD2 4.22Å; M326-F369 HydrophobicContact CB-CE2 4.43Å; M326-F369 HydrophobicContact CB-CZ 4.39Å; M326-L377 HydrophobicContact SD-CD1 4.19Å; M326-L377 HydrophobicContact SD-CD2 4.2Å
327E92Very high92.1Very high122 Ų12232 Ų3257%0.5717%0.172SC*.  trans-56.7143.8-179.2-166.7-177.4170.100113.3A329 M330 L331E327-A329 HydrophobicContact CG-CB 4.31Å; E327-A329 PolarHBondContact O-N 3.22Å; E327-M330 HydrophobicContact CB-CE 3.57Å; E327-M330 PolarHBondContact O-N 3.22Å; E327-L331 PolarHBondContact O-N 2.78Å
328L92Very high92.1Very high58 Ų5832.1 Ų32.130%0.30417%0.173SC..Hα-helixtrans-55.9-31.4177.8-69.5173.2000113.4L331 A332 Y418L328-L331 HydrophobicContact CD2-CD2 4.48Å; L328-L331 PolarHBondContact O-N 3.44Å; L328-A332 WeakPolarHBondContact O-CB 3.34Å; L328-A332 PolarHBondContact O-N 3.06Å; L328-Y418 HydrophobicContact CB-CD2 4.04Å; L328-Y418 HydrophobicContact CB-CE2 3.66Å
329A91.8Very high92Very high35 Ų3530.2 Ų30.229%0.28917%0.166SC..Hα-helixtrans-65-44175.100000112.4E327 A332 Q333 Y418E327-A329 HydrophobicContact CG-CB 4.31Å; E327-A329 PolarHBondContact O-N 3.22Å; A329-A332 PolarHBondContact O-N 3.33Å; A329-Q333 PolarHBondContact O-N 2.97Å; A329-Q333 VanDerWaalsContact O-N 3.07Å; A329-Y418 HydrophobicContact CB-CD2 4.47Å
330M93.3Very high91.8Very high16 Ų1628.8 Ų28.88%0.07915%0.154CC..Hα-helixtrans-65.7-41173.6-62.4-172.4-91.800111M326 E327 A332 Q333 A334 S363 N367 F369M326-M330 HydrophobicContact CE-CB 3.77Å; M326-M330 HydrophobicContact CG-CB 3.96Å; M326-M330 HydrophobicContact CG-CE 4.15Å; M326-M330 HydrophobicContact CG-SD 4.43Å; E327-M330 HydrophobicContact CB-CE 3.57Å; E327-M330 PolarHBondContact O-N 3.22Å; M330-A332 PolarHBondContact O-N 3.07Å; M330-Q333 PolarHBondContact O-N 3.11Å; M330-A334 WeakPolarHBondContact O-CB 3.48Å; M330-A334 PolarHBondContact O-N 3.44Å; M330-S363 PolarHBondContact O-OG 3.5Å; M330-N367 HydrophobicContact CG-CB 3.75Å; M330-N367 HydrophobicContact SD-CB 3.5Å; M330-N367 VanDerWaalsContact SD-CB 3.5Å; M330-F369 HydrophobicContact CE-CD2 3.98Å; M330-F369 HydrophobicContact CE-CE2 4.29Å; M330-F369 HydrophobicContact SD-CD2 4.25Å
331L94.5Very high91.5Very high2 Ų228.8 Ų28.81%0.0115%0.154CC..Hα-helixtrans-61.8-42.5175.3178.961.9000112M317 R318 A321 M326 E327 L328 Q333 A334 V335 L360 L421M317-L331 HydrophobicContact CB-CD1 4.42Å; R318-L331 HydrophobicContact CB-CD2 3.94Å; R318-L331 HydrophobicContact CG-CD2 3.75Å; A321-L331 HydrophobicContact CB-CB 4.27Å; A321-L331 HydrophobicContact CB-CD1 3.89Å; A321-L331 HydrophobicContact CB-CD2 4.06Å; A321-L331 HydrophobicContact CB-CG 4.28Å; M326-L331 HydrophobicContact CE-CB 4.29Å; E327-L331 PolarHBondContact O-N 2.78Å; L328-L331 HydrophobicContact CD2-CD2 4.48Å; L328-L331 PolarHBondContact O-N 3.44Å; L331-Q333 VanDerWaalsContact C-N 3.33Å; L331-Q333 PolarHBondContact O-N 2.94Å; L331-A334 PolarHBondContact O-N 3.49Å; L331-V335 HydrophobicContact CD1-CG2 4.17Å; L331-V335 HydrophobicContact CG-CG2 4.48Å; L331-V335 WeakPolarHBondContact O-CG2 3.43Å; L331-V335 PolarHBondContact O-N 3.24Å; L331-L360 HydrophobicContact CD1-CD2 3.97Å; L331-L421 HydrophobicContact CB-CD1 4.27Å; L331-L421 HydrophobicContact CD2-CD1 3.95Å; L331-L421 HydrophobicContact CD2-CD2 3.86Å; L331-L421 HydrophobicContact CD2-CG 4.49Å; L331-L421 HydrophobicContact CG-CD1 3.76Å; L331-L421 HydrophobicContact CG-CD2 4.34Å
332A93.1Very high91.2Very high0 Ų029.3 Ų29.30%016%0.156CC..Hα-helixtrans-60.3-41.9175.800000112L328 A329 M330 V335 S336 I414 H417 L421L328-A332 WeakPolarHBondContact O-CB 3.34Å; L328-A332 PolarHBondContact O-N 3.06Å; A329-A332 PolarHBondContact O-N 3.33Å; M330-A332 PolarHBondContact O-N 3.07Å; A332-V335 PolarHBondContact O-N 2.93Å; A332-S336 WeakPolarHBondContact O-CB 3.41Å; A332-S336 PolarHBondContact O-N 3.25Å; A332-S336 PolarHBondContact O-OG 3.21Å; A332-I414 HydrophobicContact CB-CG2 3.8Å; A332-H417 HydrophobicContact CB-CB 3.98Å; A332-L421 HydrophobicContact CB-CD1 3.98Å
333Q93.5Very high90.7Very high11 Ų1126.8 Ų26.85%0.05114%0.138CC..Hα-helixtrans-64.9-43.8174.1-169.9-169.130.700111.9A329 M330 L331 V335 S336 Y337 S363 N367 L407 L409 I414A329-Q333 PolarHBondContact O-N 2.97Å; A329-Q333 VanDerWaalsContact O-N 3.07Å; M330-Q333 PolarHBondContact O-N 3.11Å; L331-Q333 VanDerWaalsContact C-N 3.33Å; L331-Q333 PolarHBondContact O-N 2.94Å; Q333-V335 PolarHBondContact O-N 3Å; Q333-S336 VanDerWaalsContact O-CB 3.32Å; Q333-S336 WeakPolarHBondContact O-CB 3.18Å; Q333-S336 PolarHBondContact O-N 3.18Å; Q333-Y337 HydrophobicContact CG-CE1 4.25Å; Q333-Y337 HydrophobicContact CG-CE2 3.99Å; Q333-Y337 PolarHBondContact NE2-OH 3.44Å; Q333-Y337 PolarHBondContact O-N 3.1Å; Q333-S363 PolarHBondContact OE1-OG 3.49Å; Q333-N367 PolarHBondContact OE1-ND2 3.15Å; Q333-L407 PolarHBondContact NE2-O 3.48Å; Q333-L409 HydrophobicContact CG-CD1 4.29Å; Q333-I414 HydrophobicContact CB-CD1 4.4Å; Q333-I414 HydrophobicContact CG-CD1 4.31Å
334A94.7Very high90.1Very high0 Ų024.1 Ų24.10%012%0.123CC..Hα-helixtrans-62.6-40.3176.700000112.8M317 M326 M330 L331 Y337 F338 C359 L360M317-A334 HydrophobicContact CE-CB 4.21Å; M326-A334 HydrophobicContact CE-CB 4.21Å; M330-A334 WeakPolarHBondContact O-CB 3.48Å; M330-A334 PolarHBondContact O-N 3.44Å; L331-A334 PolarHBondContact O-N 3.49Å; A334-Y337 PolarHBondContact O-N 2.99Å; A334-F338 PolarHBondContact O-N 3.18Å; A334-C359 WeakPolarHBondContact CB-O 3.33Å; A334-C359 WeakPolarHBondContact O-CB 3.35Å; A334-L360 HydrophobicContact CB-CD2 3.89Å
335V92.2Very high89.6Confident6 Ų624 Ų244%0.03612%0.123CC..Hα-helixtrans-65.6-40.3173.3173.10000110.6K314 M317 L331 A332 Q333 Y337 F338 D339K314-V335 HydrophobicContact CD-CG1 4.33Å; M317-V335 HydrophobicContact CE-CG2 4.3Å; L331-V335 HydrophobicContact CD1-CG2 4.17Å; L331-V335 HydrophobicContact CG-CG2 4.48Å; L331-V335 WeakPolarHBondContact O-CG2 3.43Å; L331-V335 PolarHBondContact O-N 3.24Å; A332-V335 PolarHBondContact O-N 2.93Å; Q333-V335 PolarHBondContact O-N 3Å; V335-Y337 VanDerWaalsContact C-N 3.3Å; V335-Y337 PolarHBondContact O-N 3.47Å; V335-F338 PolarHBondContact O-N 3.46Å; V335-F338 VanDerWaalsContact O-N 3.13Å; V335-D339 PolarHBondContact O-N 2.67Å
336S91.1Very high89.1Confident2 Ų218.5 Ų18.51%0.01410%0.098CC..Hα-helixtrans-59.6-38174.9-53.40000112.6A332 Q333 Q340 H417A332-S336 WeakPolarHBondContact O-CB 3.41Å; A332-S336 PolarHBondContact O-N 3.25Å; A332-S336 PolarHBondContact O-OG 3.21Å; Q333-S336 VanDerWaalsContact O-CB 3.32Å; Q333-S336 WeakPolarHBondContact O-CB 3.18Å; Q333-S336 PolarHBondContact O-N 3.18Å; S336-Q340 WeakPolarHBondContact O-CG 3.31Å; S336-Q340 PolarHBondContact O-N 3.44Å; S336-Q340 VanDerWaalsContact O-N 3.13Å; S336-Q340 PolarHBondContact O-NE2 2.89Å; S336-H417 PolarHBondContact OG-CD2 3.27Å
337Y93.2Very high88.8Confident0 Ų018.9 Ų18.90%010%0.1CC..Hα-helixtrans-67.5-43.8172.8-63.2-31.9000112.2Q333 A334 V335 D339 Q340 C341 L362 L366 L403 L407 L409Q333-Y337 HydrophobicContact CG-CE1 4.25Å; Q333-Y337 HydrophobicContact CG-CE2 3.99Å; Q333-Y337 PolarHBondContact NE2-OH 3.44Å; Q333-Y337 PolarHBondContact O-N 3.1Å; A334-Y337 PolarHBondContact O-N 2.99Å; V335-Y337 VanDerWaalsContact C-N 3.3Å; V335-Y337 PolarHBondContact O-N 3.47Å; Y337-D339 VanDerWaalsContact C-N 3.33Å; Y337-D339 PolarHBondContact O-N 3.02Å; Y337-Q340 WeakPolarHBondContact O-CB 3.35Å; Y337-Q340 PolarHBondContact O-N 3.14Å; Y337-C341 PolarHBondContact O-N 3.49Å; Y337-C341 PolarHBondContact O-SG 3.34Å; Y337-L362 HydrophobicContact CE2-CB 4.4Å; Y337-L366 HydrophobicContact CE2-CD1 4.17Å; Y337-L366 WeakPolarHBondContact OH-CD1 3.39Å; Y337-L403 HydrophobicContact CD1-CD1 3.88Å; Y337-L403 HydrophobicContact CD1-CD2 4.43Å; Y337-L403 HydrophobicContact CG-CD1 3.89Å; Y337-L407 HydrophobicContact CE1-CD2 3.98Å; Y337-L407 HydrophobicContact CE2-CD2 4.29Å; Y337-L407 PolarHBondContact OH-O 2.92Å; Y337-L409 HydrophobicContact CD1-CD1 3.91Å; Y337-L409 HydrophobicContact CD1-CG 4.49Å; Y337-L409 HydrophobicContact CE1-CD1 3.72Å; Y337-L409 HydrophobicContact CE1-CD2 4.41Å; Y337-L409 HydrophobicContact CE1-CG 3.96Å
338F92.1Very high88.2Confident2 Ų214.3 Ų14.31%0.0098%0.08CC..Hα-helixtrans-62.5-42.7179.8-175.4-108.3000111.2I313 M317 A334 V335 Q340 C341 I342 I347 L355 A356 C359I313-F338 HydrophobicContact CB-CZ 4.38Å; I313-F338 HydrophobicContact CG2-CE1 4.05Å; I313-F338 HydrophobicContact CG2-CE2 4.23Å; I313-F338 HydrophobicContact CG2-CZ 3.67Å; M317-F338 HydrophobicContact CE-CB 4.18Å; M317-F338 HydrophobicContact SD-CB 4.3Å; M317-F338 HydrophobicContact SD-CD1 4.3Å; M317-F338 HydrophobicContact SD-CG 4.13Å; A334-F338 PolarHBondContact O-N 3.18Å; V335-F338 PolarHBondContact O-N 3.46Å; V335-F338 VanDerWaalsContact O-N 3.13Å; F338-Q340 PolarHBondContact O-N 2.87Å; F338-C341 CarbonylContact O-C 3.57Å; F338-C341 WeakPolarHBondContact O-CA 3.41Å; F338-C341 WeakPolarHBondContact O-CB 3.37Å; F338-C341 PolarHBondContact O-N 3.04Å; F338-C341 VanDerWaalsContact O-N 3.08Å; F338-I342 HydrophobicContact CD1-CD1 4.03Å; F338-I342 HydrophobicContact CD1-CG1 4.42Å; F338-I342 HydrophobicContact CE1-CD1 3.83Å; F338-I342 HydrophobicContact CE1-CG1 4.26Å; F338-I342 WeakPolarHBondContact O-CG1 3.45Å; F338-I342 PolarHBondContact O-N 3.02Å; F338-I347 HydrophobicContact CD2-CD1 3.96Å; F338-I347 HydrophobicContact CE1-CD1 4.45Å; F338-I347 HydrophobicContact CE2-CD1 3.54Å; F338-I347 HydrophobicContact CE2-CG1 4.43Å; F338-I347 HydrophobicContact CZ-CD1 3.82Å; F338-L355 HydrophobicContact CE2-CB 4.47Å; F338-A356 HydrophobicContact CD2-CB 4.02Å; F338-A356 HydrophobicContact CE2-CB 3.82Å; F338-A356 HydrophobicContact CZ-CB 4.46Å; F338-C359 HydrophobicContact CB-CB 4.37Å
339D88.6Confident87.5Confident7 Ų719.5 Ų19.54%0.03710%0.1CC..Hα-helixtrans-66.8-34.9176.5-76.2-10.2000112.2L269 K314 V335 Y337 C341 I342 L343 H417L269-D339 HydrophobicContact CD1-CB 4.5Å; K314-D339 VanDerWaalsContact CE-CG 3.49Å; K314-D339 WeakPolarHBondContact CE-OD1 3.36Å; K314-D339 VanDerWaalsContact CE-OD2 3.27Å; K314-D339 WeakPolarHBondContact CE-OD2 3.25Å; K314-D339 IonicContact NZ-OD1 2.82Å; K314-D339 PolarHBondContact NZ-OD1 2.88Å; K314-D339 IonicContact NZ-OD2 2.66Å; K314-D339 PolarHBondContact NZ-OD2 2.92Å; V335-D339 PolarHBondContact O-N 2.67Å; Y337-D339 VanDerWaalsContact C-N 3.33Å; Y337-D339 PolarHBondContact O-N 3.02Å; D339-C341 VanDerWaalsContact C-N 3.33Å; D339-C341 PolarHBondContact O-N 3.29Å; D339-I342 WeakPolarHBondContact O-CB 3.3Å; D339-I342 PolarHBondContact O-N 2.91Å; D339-I342 VanDerWaalsContact O-N 3.12Å; D339-I342 WeakPolarHBondContact OD1-CD1 3.49Å; D339-L343 WeakPolarHBondContact O-CG 3.48Å; D339-L343 PolarHBondContact O-N 3.49Å; D339-H417 IonicContact OD2-CE1 3.37Å; D339-H417 PolarHBondContact OD2-CE1 2.84Å
340Q86.8Confident87.1Confident7 Ų723.1 Ų23.13%0.03312%0.118CC..Hα-helixtrans-61.2-39.4167.8-76.9170.777.900112.6L252 S336 Y337 F338 I342 L343 K344 L403 L409L252-Q340 HydrophobicContact CD2-CG 4.04Å; S336-Q340 WeakPolarHBondContact O-CG 3.31Å; S336-Q340 PolarHBondContact O-N 3.44Å; S336-Q340 VanDerWaalsContact O-N 3.13Å; S336-Q340 PolarHBondContact O-NE2 2.89Å; Y337-Q340 WeakPolarHBondContact O-CB 3.35Å; Y337-Q340 PolarHBondContact O-N 3.14Å; F338-Q340 PolarHBondContact O-N 2.87Å; Q340-I342 VanDerWaalsContact C-N 3.33Å; Q340-I342 PolarHBondContact O-N 3.21Å; Q340-L343 PolarHBondContact O-N 2.89Å; Q340-K344 WeakPolarHBondContact O-CB 3.36Å; Q340-K344 WeakPolarHBondContact O-CG 3.35Å; Q340-K344 PolarHBondContact O-N 3.36Å; Q340-L403 HydrophobicContact CB-CD2 3.76Å; Q340-L409 VanDerWaalsContact NE2-CD2 3.32Å
341C87Confident86.8Confident0 Ų022.5 Ų22.50%012%0.115CC..Hα-helixtrans-67-31.2172.6-65.40000112.9Y337 F338 D339 G345 L346 I347 L355Y337-C341 PolarHBondContact O-N 3.49Å; Y337-C341 PolarHBondContact O-SG 3.34Å; F338-C341 CarbonylContact O-C 3.57Å; F338-C341 WeakPolarHBondContact O-CA 3.41Å; F338-C341 WeakPolarHBondContact O-CB 3.37Å; F338-C341 PolarHBondContact O-N 3.04Å; F338-C341 VanDerWaalsContact O-N 3.08Å; D339-C341 VanDerWaalsContact C-N 3.33Å; D339-C341 PolarHBondContact O-N 3.29Å; C341-G345 PolarHBondContact O-N 2.96Å; C341-G345 VanDerWaalsContact O-N 3.12Å; C341-L346 PolarHBondContact O-N 3.4Å; C341-I347 HydrophobicContact CB-CD1 3.81Å; C341-I347 HydrophobicContact CB-CG1 4.21Å; C341-L355 HydrophobicContact CB-CD2 3.96Å
342I85.7Confident86.6Confident11 Ų1124.7 Ų24.76%0.05612%0.123CC..Hα-helixtrans-64.9-47.7171.2-63.3176.4000109.7L269 K310 F338 D339 Q340 G345 I347L269-I342 HydrophobicContact CD2-CG2 3.95Å; K310-I342 HydrophobicContact CD-CD1 4.34Å; F338-I342 HydrophobicContact CD1-CD1 4.03Å; F338-I342 HydrophobicContact CD1-CG1 4.42Å; F338-I342 HydrophobicContact CE1-CD1 3.83Å; F338-I342 HydrophobicContact CE1-CG1 4.26Å; F338-I342 WeakPolarHBondContact O-CG1 3.45Å; F338-I342 PolarHBondContact O-N 3.02Å; D339-I342 WeakPolarHBondContact O-CB 3.3Å; D339-I342 PolarHBondContact O-N 2.91Å; D339-I342 VanDerWaalsContact O-N 3.12Å; D339-I342 WeakPolarHBondContact OD1-CD1 3.49Å; Q340-I342 VanDerWaalsContact C-N 3.33Å; Q340-I342 PolarHBondContact O-N 3.21Å; I342-G345 WeakPolarHBondContact O-CA 3.34Å; I342-G345 PolarHBondContact O-N 3.05Å; I342-I347 HydrophobicContact CB-CD1 4.29Å; I342-I347 HydrophobicContact CG1-CD1 3.44Å; I342-I347 VanDerWaalsContact CG1-CD1 3.44Å
343L80.4Confident86.5Confident50 Ų5027 Ų2726%0.26213%0.134SC..Hα-helixtrans-66.5-41.4-179.3-69.5170000112.4F242 L269 D339 Q340 G345F242-L343 HydrophobicContact CZ-CD2 4.5Å; L269-L343 HydrophobicContact CD1-CD1 4.32Å; L269-L343 HydrophobicContact CD1-CD2 3.81Å; L269-L343 HydrophobicContact CD1-CG 3.92Å; D339-L343 WeakPolarHBondContact O-CG 3.48Å; D339-L343 PolarHBondContact O-N 3.49Å; Q340-L343 PolarHBondContact O-N 2.89Å; L343-G345 PolarHBondContact O-N 3.46Å
344K79.4Confident86.4Confident16 Ų1628.5 Ų28.57%0.0714%0.139CC..Hα-helixtrans-65.8-14.9170.4-73.7-176.9-178.6-168.30112.6R238 F250 Q340 L346 A402 E404R238-K344 PolarHBondContact NH1-O 3.27Å; F250-K344 HydrophobicContact CD1-CD 4.44Å; F250-K344 VanDerWaalsContact CD1-CE 3.41Å; F250-K344 HydrophobicContact CD1-CG 4.26Å; F250-K344 HydrophobicContact CE1-CD 3.96Å; F250-K344 HydrophobicContact CE1-CG 3.49Å; F250-K344 VanDerWaalsContact CE1-CG 3.49Å; F250-K344 HydrophobicContact CE2-CG 3.81Å; F250-K344 HydrophobicContact CZ-CB 4.25Å; F250-K344 HydrophobicContact CZ-CD 4.2Å; F250-K344 HydrophobicContact CZ-CG 3.22Å; Q340-K344 WeakPolarHBondContact O-CB 3.36Å; Q340-K344 WeakPolarHBondContact O-CG 3.35Å; Q340-K344 PolarHBondContact O-N 3.36Å; K344-L346 HydrophobicContact CB-CD1 3.71Å; K344-L346 HydrophobicContact CB-CG 3.82Å; K344-L346 HydrophobicContact CD-CD1 4.45Å; K344-A402 WeakPolarHBondContact CD-O 3.46Å; K344-A402 WeakPolarHBondContact CE-O 3.47Å; K344-A402 PolarHBondContact NZ-O 3.28Å; K344-E404 IonicContact NZ-OE1 2.7Å; K344-E404 PolarHBondContact NZ-OE1 3.06Å; K344-E404 IonicContact NZ-OE2 3.92Å
345G78.7Confident86.4Confident3 Ų328.5 Ų28.53%0.03114%0.139CC..THydrogen-bonded Turntrans72.536.8174.700000113.7P230 F234 C341 I342 L343P230-G345 WeakPolarHBondContact CB-O 3.38Å; F234-G345 WeakPolarHBondContact CD1-O 3.21Å; F234-G345 VanDerWaalsContact CE1-CA 3.46Å; F234-G345 VanDerWaalsContact CE1-O 3.25Å; F234-G345 WeakPolarHBondContact CE1-O 3.46Å; C341-G345 PolarHBondContact O-N 2.96Å; C341-G345 VanDerWaalsContact O-N 3.12Å; I342-G345 WeakPolarHBondContact O-CA 3.34Å; I342-G345 PolarHBondContact O-N 3.05Å; L343-G345 PolarHBondContact O-N 3.46Å
346L79.6Confident86.4Confident28 Ų2828.2 Ų28.215%0.14714%0.137CC..  trans-95.7-0.5-174.8-57.7168.5000113C341 K344 N351 L355 A402C341-L346 PolarHBondContact O-N 3.4Å; K344-L346 HydrophobicContact CB-CD1 3.71Å; K344-L346 HydrophobicContact CB-CG 3.82Å; K344-L346 HydrophobicContact CD-CD1 4.45Å; L346-N351 PolarHBondContact O-ND2 3.49Å; L346-N351 PolarHBondContact O-OD1 3.27Å; L346-L355 HydrophobicContact CB-CD2 4.13Å; L346-A402 HydrophobicContact CD1-CB 3.56Å
347I84.6Confident86.6Confident20 Ų2028.1 Ų28.110%0.10314%0.137CC..  trans-104.1108.3-167.5-71.6169.2000111.5F234 F338 C341 I342 N351 R352 L355F234-I347 VanDerWaalsContact CD2-O 3.28Å; F234-I347 WeakPolarHBondContact CD2-O 3.36Å; F234-I347 WeakPolarHBondContact CE2-O 3.4Å; F338-I347 HydrophobicContact CD2-CD1 3.96Å; F338-I347 HydrophobicContact CE1-CD1 4.45Å; F338-I347 HydrophobicContact CE2-CD1 3.54Å; F338-I347 HydrophobicContact CE2-CG1 4.43Å; F338-I347 HydrophobicContact CZ-CD1 3.82Å; C341-I347 HydrophobicContact CB-CD1 3.81Å; C341-I347 HydrophobicContact CB-CG1 4.21Å; I342-I347 HydrophobicContact CB-CD1 4.29Å; I342-I347 HydrophobicContact CG1-CD1 3.44Å; I342-I347 VanDerWaalsContact CG1-CD1 3.44Å; I347-N351 WeakPolarHBondContact CA-OD1 3.28Å; I347-R352 HydrophobicContact CG2-CB 3.59Å; I347-L355 HydrophobicContact CD1-CD2 4.46Å; I347-L355 HydrophobicContact CG1-CD2 3.67Å
348D80.4Confident86.7Confident26 Ų2628.2 Ų28.214%0.13914%0.137CC..  trans-100.6168.2171.8-97.2-33.2000112.3P230 S231 T350 N351 R352P230-D348 WeakPolarHBondContact CA-OD2 3.35Å; S231-D348 WeakPolarHBondContact CB-OD1 3.4Å; S231-D348 WeakPolarHBondContact CB-OD2 3.37Å; S231-D348 PolarHBondContact N-OD2 3.19Å; S231-D348 PolarHBondContact OG-OD1 3.41Å; D348-T350 PolarHBondContact O-N 3.39Å; D348-T350 VanDerWaalsContact O-N 3.16Å; D348-N351 PolarHBondContact N-OD1 3.03Å; D348-N351 PolarHBondContact O-N 2.87Å; D348-N351 PolarHBondContact O-OD1 3.1Å; D348-R352 VanDerWaalsContact O-CB 3.24Å; D348-R352 WeakPolarHBondContact O-CB 3.43Å; D348-R352 WeakPolarHBondContact O-CG 3.37Å; D348-R352 PolarHBondContact O-N 3.36Å; D348-R352 VanDerWaalsContact O-N 3.07Å
349K77.8Confident86.8Confident168 Ų16828.1 Ų28.173%0.7314%0.137SC*.THydrogen-bonded Turntrans-57.2-31.1177.9-171.3-179175-169.70113.6R352K349-R352 PolarHBondContact O-NE 2.96Å; K349-R352 VanDerWaalsContact O-NE 3.16Å
350T81.8Confident87.1Confident110 Ų11027.8 Ų27.868%0.67514%0.135SC*.THydrogen-bonded Turntrans-85.7-49.4-178.845.50000112.4D348D348-T350 PolarHBondContact O-N 3.39Å; D348-T350 VanDerWaalsContact O-N 3.16Å
351N87.4Confident87.5Confident4 Ų427.6 Ų27.62%0.02114%0.135CC..THydrogen-bonded Turntrans-82.5-19.7-172.476.65.2000113.9L346 I347 D348 K353 Y354 L355 Y395L346-N351 PolarHBondContact O-ND2 3.49Å; L346-N351 PolarHBondContact O-OD1 3.27Å; I347-N351 WeakPolarHBondContact CA-OD1 3.28Å; D348-N351 PolarHBondContact N-OD1 3.03Å; D348-N351 PolarHBondContact O-N 2.87Å; D348-N351 PolarHBondContact O-OD1 3.1Å; N351-K353 PolarHBondContact O-N 3.45Å; N351-Y354 WeakPolarHBondContact O-CA 3.44Å; N351-Y354 WeakPolarHBondContact O-CB 3.3Å; N351-Y354 PolarHBondContact O-N 3.18Å; N351-L355 HydrophobicContact CB-CD1 3.63Å; N351-L355 VanDerWaalsContact CG-CD1 3.49Å; N351-L355 VanDerWaalsContact O-CD1 3.26Å; N351-L355 WeakPolarHBondContact O-CD1 3.46Å; N351-L355 PolarHBondContact O-N 2.77Å; N351-Y395 HydrophobicContact CB-CE1 3.96Å
352R89.5Confident87.8Confident47 Ų4728.1 Ų28.118%0.17714%0.137CC..Hα-helixtrans-47.9-37.8-175.162.8-167.8-175.7166.512115.8F309 I313 I347 D348 K349 A356F309-R352 VanDerWaalsContact CB-NH1 3.27Å; F309-R352 VanDerWaalsContact CG-NH1 3.3Å; I313-R352 HydrophobicContact CD1-CB 3.78Å; I313-R352 HydrophobicContact CD1-CG 3.57Å; I347-R352 HydrophobicContact CG2-CB 3.59Å; D348-R352 VanDerWaalsContact O-CB 3.24Å; D348-R352 WeakPolarHBondContact O-CB 3.43Å; D348-R352 WeakPolarHBondContact O-CG 3.37Å; D348-R352 PolarHBondContact O-N 3.36Å; D348-R352 VanDerWaalsContact O-N 3.07Å; K349-R352 PolarHBondContact O-NE 2.96Å; K349-R352 VanDerWaalsContact O-NE 3.16Å; R352-A356 WeakPolarHBondContact O-CB 3.42Å; R352-A356 PolarHBondContact O-N 2.85Å; R352-A356 VanDerWaalsContact O-N 3.1Å
353K91.8Very high88.3Confident49 Ų4927.6 Ų27.621%0.21313%0.134CC..Hα-helixtrans-75.9-37.7177.7-73.4-162.4168.6-137.80112.2E316 N351 A356 G357 F385 L387E316-K353 IonicContact OE2-NZ 2.6Å; E316-K353 PolarHBondContact OE2-NZ 3.41Å; N351-K353 PolarHBondContact O-N 3.45Å; K353-A356 PolarHBondContact O-N 2.78Å; K353-G357 PolarHBondContact O-N 3.32Å; K353-F385 HydrophobicContact CB-CB 4.23Å; K353-F385 HydrophobicContact CB-CD1 4.33Å; K353-F385 HydrophobicContact CB-CG 4.23Å; K353-F385 HydrophobicContact CD-CB 3.98Å; K353-F385 HydrophobicContact CD-CD1 3.98Å; K353-F385 HydrophobicContact CD-CG 4.29Å; K353-F385 WeakPolarHBondContact CD-O 3.28Å; K353-F385 HydrophobicContact CG-CD1 4.08Å; K353-F385 HydrophobicContact CG-CG 4.43Å; K353-F385 PolarHBondContact NZ-O 3.2Å; K353-F385 VanDerWaalsContact NZ-O 3.11Å; K353-L387 HydrophobicContact CB-CD1 4.07Å; K353-L387 HydrophobicContact CB-CD2 3.92Å; K353-L387 HydrophobicContact CB-CG 4.45Å
354Y92.5Very high88.9Confident42 Ų4225.2 Ų25.217%0.16512%0.122CC..Hα-helixtrans-63.4-45.9173-69-77.1000111.2N351 G357 V358 L387 D391 L392 Y395N351-Y354 WeakPolarHBondContact O-CA 3.44Å; N351-Y354 WeakPolarHBondContact O-CB 3.3Å; N351-Y354 PolarHBondContact O-N 3.18Å; Y354-G357 PolarHBondContact O-N 3.12Å; Y354-V358 WeakPolarHBondContact O-CB 3.42Å; Y354-V358 WeakPolarHBondContact O-CG2 3.18Å; Y354-V358 PolarHBondContact O-N 3.46Å; Y354-L387 HydrophobicContact CD1-CB 4.35Å; Y354-L387 HydrophobicContact CD1-CD1 3.8Å; Y354-L387 HydrophobicContact CD1-CD2 4.3Å; Y354-L387 HydrophobicContact CD1-CG 4.37Å; Y354-L387 HydrophobicContact CD2-CD2 4.18Å; Y354-L387 HydrophobicContact CE1-CB 3.79Å; Y354-L387 HydrophobicContact CE1-CD1 4.06Å; Y354-L387 HydrophobicContact CE1-CD2 3.95Å; Y354-L387 HydrophobicContact CE1-CG 4.13Å; Y354-L387 HydrophobicContact CE2-CD2 3.84Å; Y354-L387 HydrophobicContact CG-CD1 4.14Å; Y354-L387 HydrophobicContact CG-CD2 4.4Å; Y354-D391 HydrophobicContact CD1-CB 4.46Å; Y354-D391 HydrophobicContact CE1-CB 3.57Å; Y354-L392 HydrophobicContact CD1-CD1 4.31Å; Y354-Y395 AromaticContact CD1-CD2 3.86Å; Y354-Y395 HydrophobicContact CD1-CD2 3.86Å; Y354-Y395 AromaticContact CD1-CE2 3.89Å; Y354-Y395 HydrophobicContact CD1-CE2 3.89Å; Y354-Y395 AromaticContact CD2-CE2 3.95Å; Y354-Y395 HydrophobicContact CD2-CE2 3.95Å; Y354-Y395 HydrophobicContact CE1-CE2 4.45Å; Y354-Y395 HydrophobicContact CE2-CE2 4.49Å; Y354-Y395 AromaticContact CG-CD2 3.77Å; Y354-Y395 HydrophobicContact CG-CD2 3.77Å; Y354-Y395 AromaticContact CG-CE2 3.61Å; Y354-Y395 HydrophobicContact CG-CE2 3.61Å
355L92.9Very high89.5Confident0 Ų028.5 Ų28.50%014%0.136CC..Hα-helixtrans-62.2-45.7176.5-82.676.9000111.2L228 F338 C341 L346 I347 N351 G357 V358 C359 Y395 V399L228-L355 HydrophobicContact CD2-CD1 3.9Å; L228-L355 HydrophobicContact CD2-CD2 4.23Å; L228-L355 HydrophobicContact CD2-CG 4.3Å; F338-L355 HydrophobicContact CE2-CB 4.47Å; C341-L355 HydrophobicContact CB-CD2 3.96Å; L346-L355 HydrophobicContact CB-CD2 4.13Å; I347-L355 HydrophobicContact CD1-CD2 4.46Å; I347-L355 HydrophobicContact CG1-CD2 3.67Å; N351-L355 HydrophobicContact CB-CD1 3.63Å; N351-L355 VanDerWaalsContact CG-CD1 3.49Å; N351-L355 VanDerWaalsContact O-CD1 3.26Å; N351-L355 WeakPolarHBondContact O-CD1 3.46Å; N351-L355 PolarHBondContact O-N 2.77Å; L355-G357 PolarHBondContact O-N 2.93Å; L355-V358 PolarHBondContact O-N 3.08Å; L355-C359 WeakPolarHBondContact O-CB 3.43Å; L355-C359 PolarHBondContact O-N 2.7Å; L355-C359 PolarHBondContact O-SG 3.17Å; L355-Y395 HydrophobicContact CD1-CD1 4.04Å; L355-Y395 HydrophobicContact CD1-CE1 4.31Å; L355-V399 HydrophobicContact CD2-CG2 4.44Å; L355-V399 HydrophobicContact CG-CG2 3.9Å
356A94Very high90.1Very high0 Ų031 Ų310%015%0.148CC..Hα-helixtrans-58.3-46175.900000113.1I313 M317 F338 R352 K353 C359 L360 F385I313-A356 HydrophobicContact CG2-CB 3.52Å; M317-A356 HydrophobicContact CG-CB 3.91Å; M317-A356 HydrophobicContact SD-CB 3.77Å; F338-A356 HydrophobicContact CD2-CB 4.02Å; F338-A356 HydrophobicContact CE2-CB 3.82Å; F338-A356 HydrophobicContact CZ-CB 4.46Å; R352-A356 WeakPolarHBondContact O-CB 3.42Å; R352-A356 PolarHBondContact O-N 2.85Å; R352-A356 VanDerWaalsContact O-N 3.1Å; K353-A356 PolarHBondContact O-N 2.78Å; A356-C359 PolarHBondContact O-N 2.89Å; A356-L360 PolarHBondContact O-N 2.98Å; A356-F385 HydrophobicContact CB-CE1 4.48Å; A356-F385 HydrophobicContact CB-CE2 3.92Å; A356-F385 HydrophobicContact CB-CZ 3.67Å
357G95Very high90.6Very high0 Ų033.3 Ų33.30%016%0.161CC..Hα-helixtrans-64.8-39.8176.300000112.9K353 Y354 L355 L360 V361K353-G357 PolarHBondContact O-N 3.32Å; Y354-G357 PolarHBondContact O-N 3.12Å; L355-G357 PolarHBondContact O-N 2.93Å; G357-L360 PolarHBondContact O-N 2.83Å; G357-V361 WeakPolarHBondContact O-CG2 3.25Å; G357-V361 PolarHBondContact O-N 3.5Å
358V94.5Very high90.8Very high2 Ų237.7 Ų37.71%0.01219%0.185CC..Hα-helixtrans-66.7-40.6175.3165.30000111.8Y354 L355 L360 V361 L362 L392 V399Y354-V358 WeakPolarHBondContact O-CB 3.42Å; Y354-V358 WeakPolarHBondContact O-CG2 3.18Å; Y354-V358 PolarHBondContact O-N 3.46Å; L355-V358 PolarHBondContact O-N 3.08Å; V358-L360 VanDerWaalsContact C-N 3.3Å; V358-L360 PolarHBondContact O-N 3.25Å; V358-V361 PolarHBondContact O-N 2.94Å; V358-L362 HydrophobicContact CG1-CD1 3.65Å; V358-L362 HydrophobicContact CG1-CG 3.96Å; V358-L362 WeakPolarHBondContact O-CB 3.22Å; V358-L362 WeakPolarHBondContact O-CG 3.34Å; V358-L362 PolarHBondContact O-N 3.49Å; V358-L392 HydrophobicContact CG2-CD1 3.87Å; V358-L392 HydrophobicContact CG2-CG 4.1Å; V358-L392 WeakPolarHBondContact CG2-O 3.14Å; V358-V399 HydrophobicContact CB-CG2 4.48Å; V358-V399 HydrophobicContact CG1-CB 3.69Å; V358-V399 HydrophobicContact CG1-CG1 3.92Å; V358-V399 HydrophobicContact CG1-CG2 3.93Å
359C94.9Very high91.1Very high0 Ų037.1 Ų37.10%018%0.181CC..Hα-helixtrans-60.7-38.8176.1-68.90000112.1M317 A334 F338 L355 A356 S363M317-C359 HydrophobicContact CE-CB 4.36Å; A334-C359 WeakPolarHBondContact CB-O 3.33Å; A334-C359 WeakPolarHBondContact O-CB 3.35Å; F338-C359 HydrophobicContact CB-CB 4.37Å; L355-C359 WeakPolarHBondContact O-CB 3.43Å; L355-C359 PolarHBondContact O-N 2.7Å; L355-C359 PolarHBondContact O-SG 3.17Å; A356-C359 PolarHBondContact O-N 2.89Å; C359-S363 PolarHBondContact O-N 3.08Å; C359-S363 VanDerWaalsContact O-N 3.15Å
360L95.4Very high91.6Very high0 Ų035.6 Ų35.60%017%0.174CC..Hα-helixtrans-62.1-50.7170.9-69.9170.1000111.5M317 I320 M326 L331 A334 A356 G357 V358 L362 S363 A364 V381 F385M317-L360 HydrophobicContact CB-CD1 4.24Å; M317-L360 HydrophobicContact CB-CD2 4.34Å; M317-L360 HydrophobicContact CE-CD2 4.14Å; M317-L360 HydrophobicContact CE-CG 4.04Å; M317-L360 HydrophobicContact CG-CD1 4.19Å; M317-L360 HydrophobicContact CG-CG 4.43Å; I320-L360 HydrophobicContact CB-CD1 4.2Å; I320-L360 HydrophobicContact CD1-CD1 4.27Å; I320-L360 HydrophobicContact CG2-CD1 3.81Å; M326-L360 HydrophobicContact CE-CD2 3.68Å; M326-L360 HydrophobicContact SD-CD2 4.22Å; L331-L360 HydrophobicContact CD1-CD2 3.97Å; A334-L360 HydrophobicContact CB-CD2 3.89Å; A356-L360 PolarHBondContact O-N 2.98Å; G357-L360 PolarHBondContact O-N 2.83Å; V358-L360 VanDerWaalsContact C-N 3.3Å; V358-L360 PolarHBondContact O-N 3.25Å; L360-L362 PolarHBondContact O-N 3.46Å; L360-S363 PolarHBondContact O-N 3.44Å; L360-A364 VanDerWaalsContact O-CB 3.31Å; L360-A364 WeakPolarHBondContact O-CB 3.02Å; L360-A364 PolarHBondContact O-N 3.13Å; L360-V381 HydrophobicContact CD1-CG2 4.13Å; L360-F385 HydrophobicContact CD1-CE2 4.41Å
361V94.3Very high92Very high4 Ų433.2 Ų33.22%0.02417%0.172CC..Hα-helixtrans-64-38.3-178.4171.80000112.3G357 V358 K365 L378 L392G357-V361 WeakPolarHBondContact O-CG2 3.25Å; G357-V361 PolarHBondContact O-N 3.5Å; V358-V361 PolarHBondContact O-N 2.94Å; V361-K365 HydrophobicContact CG1-CD 4.06Å; V361-K365 HydrophobicContact CG1-CG 4.39Å; V361-K365 WeakPolarHBondContact O-CB 3.2Å; V361-K365 VanDerWaalsContact O-CG 3.28Å; V361-K365 WeakPolarHBondContact O-CG 3.03Å; V361-K365 PolarHBondContact O-N 3.4Å; V361-L378 HydrophobicContact CG2-CD2 3.64Å; V361-L392 HydrophobicContact CG2-CD2 4.3Å
362L94.3Very high92.1Very high10 Ų1038.9 Ų38.95%0.05221%0.207CC..Hα-helixtrans-64.9-48.7176.3-75.1173.9000111.3Y337 V358 L360 A364 K365 L366 E396 V399 A400 L403Y337-L362 HydrophobicContact CE2-CB 4.4Å; V358-L362 HydrophobicContact CG1-CD1 3.65Å; V358-L362 HydrophobicContact CG1-CG 3.96Å; V358-L362 WeakPolarHBondContact O-CB 3.22Å; V358-L362 WeakPolarHBondContact O-CG 3.34Å; V358-L362 PolarHBondContact O-N 3.49Å; L360-L362 PolarHBondContact O-N 3.46Å; L362-A364 PolarHBondContact O-N 3.03Å; L362-K365 PolarHBondContact O-N 2.86Å; L362-L366 VanDerWaalsContact O-CD1 3.27Å; L362-L366 WeakPolarHBondContact O-CD1 3.39Å; L362-L366 VanDerWaalsContact O-CG 3.29Å; L362-L366 WeakPolarHBondContact O-CG 3.43Å; L362-L366 PolarHBondContact O-N 3.03Å; L362-L366 VanDerWaalsContact O-N 3.1Å; L362-E396 HydrophobicContact CD2-CG 3.86Å; L362-V399 HydrophobicContact CD1-CB 4.31Å; L362-V399 HydrophobicContact CD1-CG1 3.82Å; L362-A400 HydrophobicContact CD2-CB 4.5Å; L362-L403 HydrophobicContact CD1-CD1 4.42Å
363S94.3Very high92.2Very high0 Ų041 Ų410%022%0.218CC..Hα-helixtrans-60.9-44.2175.7176.80000111.6M330 Q333 C359 L360 K365 L366 N367M330-S363 PolarHBondContact O-OG 3.5Å; Q333-S363 PolarHBondContact OE1-OG 3.49Å; C359-S363 PolarHBondContact O-N 3.08Å; C359-S363 VanDerWaalsContact O-N 3.15Å; L360-S363 PolarHBondContact O-N 3.44Å; S363-K365 PolarHBondContact O-N 2.79Å; S363-L366 PolarHBondContact O-N 3.46Å; S363-N367 PolarHBondContact O-N 3.04Å; S363-N367 VanDerWaalsContact O-N 3.17Å; S363-N367 PolarHBondContact O-ND2 2.89Å
364A94.1Very high92.2Very high0 Ų040.3 Ų40.30%022%0.216CC..Hα-helixtrans-57.9-48.2175.600000111.8L360 L362 L366 N367 F369 L374 L377L360-A364 VanDerWaalsContact O-CB 3.31Å; L360-A364 WeakPolarHBondContact O-CB 3.02Å; L360-A364 PolarHBondContact O-N 3.13Å; L362-A364 PolarHBondContact O-N 3.03Å; A364-L366 VanDerWaalsContact C-N 3.27Å; A364-L366 PolarHBondContact O-N 2.97Å; A364-N367 PolarHBondContact O-N 2.93Å; A364-F369 HydrophobicContact CB-CB 3.79Å; A364-F369 HydrophobicContact CB-CD1 3.88Å; A364-F369 HydrophobicContact CB-CG 4.05Å; A364-F369 WeakPolarHBondContact O-CB 3.14Å; A364-F369 PolarHBondContact O-N 3.11Å; A364-L374 HydrophobicContact CB-CD1 4.36Å; A364-L377 HydrophobicContact CB-CD2 3.48Å; A364-L377 VanDerWaalsContact CB-CD2 3.48Å
365K92.7Very high92.2Very high85 Ų8546.7 Ų46.737%0.3724%0.24SC..Hα-helixtrans-60.9-31.6178.5-78.5179.4175.5-169.70113.7V361 L362 S363 E396V361-K365 HydrophobicContact CG1-CD 4.06Å; V361-K365 HydrophobicContact CG1-CG 4.39Å; V361-K365 WeakPolarHBondContact O-CB 3.2Å; V361-K365 VanDerWaalsContact O-CG 3.28Å; V361-K365 WeakPolarHBondContact O-CG 3.03Å; V361-K365 PolarHBondContact O-N 3.4Å; L362-K365 PolarHBondContact O-N 2.86Å; S363-K365 PolarHBondContact O-N 2.79Å; K365-E396 IonicContact NZ-OE1 2.77Å; K365-E396 PolarHBondContact NZ-OE1 3.28Å; K365-E396 IonicContact NZ-OE2 2.92Å; K365-E396 PolarHBondContact NZ-OE2 2.77Å
366L91.5Very high92.2Very high55 Ų5548.6 Ų48.629%0.28826%0.255SS..Hα-helixtrans-76.9-32.5178.8-71.4156.2000113.5Y337 L362 S363 A364 D368 L407Y337-L366 HydrophobicContact CE2-CD1 4.17Å; Y337-L366 WeakPolarHBondContact OH-CD1 3.39Å; L362-L366 VanDerWaalsContact O-CD1 3.27Å; L362-L366 WeakPolarHBondContact O-CD1 3.39Å; L362-L366 VanDerWaalsContact O-CG 3.29Å; L362-L366 WeakPolarHBondContact O-CG 3.43Å; L362-L366 PolarHBondContact O-N 3.03Å; L362-L366 VanDerWaalsContact O-N 3.1Å; S363-L366 PolarHBondContact O-N 3.46Å; A364-L366 VanDerWaalsContact C-N 3.27Å; A364-L366 PolarHBondContact O-N 2.97Å; L366-D368 VanDerWaalsContact C-N 3.31Å; L366-D368 PolarHBondContact O-N 2.89Å; L366-L407 HydrophobicContact CD1-CB 3.65Å; L366-L407 HydrophobicContact CD1-CD1 4.06Å; L366-L407 HydrophobicContact CD1-CD2 4.25Å; L366-L407 HydrophobicContact CD1-CG 4.18Å; L366-L407 HydrophobicContact CD2-CB 4Å; L366-L407 HydrophobicContact CD2-CD1 4Å; L366-L407 HydrophobicContact CG-CB 4.48Å; L366-L407 HydrophobicContact CG-CD1 4.45Å
367N89.9Confident92.3Very high77 Ų7748.6 Ų48.641%0.41226%0.255SS..THydrogen-bonded Turntrans-98.538.1-178.3-61.9-81.5000111.6M330 Q333 S363 A364 F369M330-N367 HydrophobicContact CG-CB 3.75Å; M330-N367 HydrophobicContact SD-CB 3.5Å; M330-N367 VanDerWaalsContact SD-CB 3.5Å; Q333-N367 PolarHBondContact OE1-ND2 3.15Å; S363-N367 PolarHBondContact O-N 3.04Å; S363-N367 VanDerWaalsContact O-N 3.17Å; S363-N367 PolarHBondContact O-ND2 2.89Å; A364-N367 PolarHBondContact O-N 2.93Å; N367-F369 PolarHBondContact O-N 3.35Å
368D87.3Confident92.2Very high113 Ų11349.7 Ų49.760%0.60426%0.261SS*.THydrogen-bonded Turntrans54.320.6176.6-80-44.9000116.6L366 K370L366-D368 VanDerWaalsContact C-N 3.31Å; L366-D368 PolarHBondContact O-N 2.89Å; D368-K370 WeakPolarHBondContact O-CG 3.31Å; D368-K370 PolarHBondContact O-N 2.88Å; D368-K370 WeakPolarHBondContact OD1-CE 3.2Å; D368-K370 IonicContact OD1-NZ 3.2Å; D368-K370 PolarHBondContact OD1-NZ 3.02Å
369F87.9Confident92.2Very high14 Ų1452.2 Ų52.26%0.06127%0.274CS..  trans-70.6102.3179.3-157.6-100.4000110.2S324 M326 M330 A364 N367 K373 L374 L377S324-F369 WeakPolarHBondContact O-CZ 3.37Å; M326-F369 HydrophobicContact CB-CE2 4.43Å; M326-F369 HydrophobicContact CB-CZ 4.39Å; M330-F369 HydrophobicContact CE-CD2 3.98Å; M330-F369 HydrophobicContact CE-CE2 4.29Å; M330-F369 HydrophobicContact SD-CD2 4.25Å; A364-F369 HydrophobicContact CB-CB 3.79Å; A364-F369 HydrophobicContact CB-CD1 3.88Å; A364-F369 HydrophobicContact CB-CG 4.05Å; A364-F369 WeakPolarHBondContact O-CB 3.14Å; A364-F369 PolarHBondContact O-N 3.11Å; N367-F369 PolarHBondContact O-N 3.35Å; F369-K373 HydrophobicContact CD1-CB 4.17Å; F369-K373 HydrophobicContact CD2-CB 4.41Å; F369-K373 HydrophobicContact CE1-CB 3.73Å; F369-K373 VanDerWaalsContact CE1-O 3.24Å; F369-K373 WeakPolarHBondContact CE1-O 3.35Å; F369-K373 HydrophobicContact CE2-CB 3.98Å; F369-K373 HydrophobicContact CE2-CD 4.15Å; F369-K373 HydrophobicContact CZ-CB 3.63Å; F369-L374 HydrophobicContact CD1-CB 4.09Å; F369-L374 HydrophobicContact CD1-CD1 4.24Å; F369-L377 HydrophobicContact CD1-CD2 4.21Å; F369-L377 HydrophobicContact CE1-CB 3.81Å; F369-L377 HydrophobicContact CE1-CD2 3.98Å
370K88.5Confident92.1Very high135 Ų13553.7 Ų53.759%0.58728%0.282SS*.  trans-131.2167.1-165.3-75.3163.6176.6169.70112.3D368D368-K370 WeakPolarHBondContact O-CG 3.31Å; D368-K370 PolarHBondContact O-N 2.88Å; D368-K370 WeakPolarHBondContact OD1-CE 3.2Å; D368-K370 IonicContact OD1-NZ 3.2Å; D368-K370 PolarHBondContact OD1-NZ 3.02Å
371G89.7Confident92.1Very high60 Ų6053.7 Ų53.762%0.61928%0.282SS*.Hα-helixtrans65.3-134.317300000114.2K373 L374 R375G371-K373 VanDerWaalsContact C-N 3.32Å; G371-K373 PolarHBondContact O-N 2.82Å; G371-L374 PolarHBondContact O-N 3.16Å; G371-R375 PolarHBondContact O-N 3.03Å
372T89.8Confident92Very high124 Ų12456 Ų5676%0.76129%0.293SS*.Hα-helixtrans-60.5-37.9-177.548.50000112.9R375 A376T372-R375 PolarHBondContact O-N 2.65Å; T372-A376 PolarHBondContact O-N 3.44Å
373K91.4Very high91.9Very high92 Ų9262.4 Ų62.440%0.432%0.322SS..Hα-helixtrans-61-49.7178.2-65-162.9168.7-132.10111.8E325 F369 G371 R375 A376 L377E325-K373 IonicContact OE2-NZ 3.37Å; E325-K373 PolarHBondContact OE2-NZ 3.13Å; F369-K373 HydrophobicContact CD1-CB 4.17Å; F369-K373 HydrophobicContact CD2-CB 4.41Å; F369-K373 HydrophobicContact CE1-CB 3.73Å; F369-K373 VanDerWaalsContact CE1-O 3.24Å; F369-K373 WeakPolarHBondContact CE1-O 3.35Å; F369-K373 HydrophobicContact CE2-CB 3.98Å; F369-K373 HydrophobicContact CE2-CD 4.15Å; F369-K373 HydrophobicContact CZ-CB 3.63Å; G371-K373 VanDerWaalsContact C-N 3.32Å; G371-K373 PolarHBondContact O-N 2.82Å; K373-R375 VanDerWaalsContact C-N 3.27Å; K373-R375 PolarHBondContact O-N 3.24Å; K373-A376 PolarHBondContact O-N 3.32Å; K373-L377 PolarHBondContact O-N 2.92Å
374L92.5Very high91.8Very high33 Ų3368.3 Ų68.317%0.17335%0.345CS..Hα-helixtrans-61.7-35.4177.3-177.461.3000112.5A364 F369 G371 L377 L378A364-L374 HydrophobicContact CB-CD1 4.36Å; F369-L374 HydrophobicContact CD1-CB 4.09Å; F369-L374 HydrophobicContact CD1-CD1 4.24Å; G371-L374 PolarHBondContact O-N 3.16Å; L374-L377 HydrophobicContact CD1-CD2 4.45Å; L374-L378 HydrophobicContact CG-CD1 4.4Å; L374-L378 WeakPolarHBondContact O-CG 3.24Å; L374-L378 PolarHBondContact O-N 2.86Å
375R92.2Very high91.6Very high177 Ų17768.5 Ų68.567%0.66835%0.345SS*.Hα-helixtrans-65.3-48.7174.4-173.1174.1179171.41.1111.4G371 T372 K373 L377 L378 D379G371-R375 PolarHBondContact O-N 3.03Å; T372-R375 PolarHBondContact O-N 2.65Å; K373-R375 VanDerWaalsContact C-N 3.27Å; K373-R375 PolarHBondContact O-N 3.24Å; R375-L377 VanDerWaalsContact C-N 3.29Å; R375-L377 PolarHBondContact O-N 2.88Å; R375-L378 PolarHBondContact O-N 2.93Å; R375-L378 VanDerWaalsContact O-N 3.1Å; R375-D379 WeakPolarHBondContact O-CB 3.36Å; R375-D379 PolarHBondContact O-N 3.01Å
376A93.1Very high91.4Very high39 Ų3972.6 Ų72.632%0.32236%0.359SS..Hα-helixtrans-57.2-41.6175.700000112.2T372 K373 D379 N380T372-A376 PolarHBondContact O-N 3.44Å; K373-A376 PolarHBondContact O-N 3.32Å; A376-D379 PolarHBondContact O-N 3.16Å; A376-N380 WeakPolarHBondContact O-CB 3.4Å; A376-N380 VanDerWaalsContact O-CG 3.3Å; A376-N380 PolarHBondContact O-N 3.07Å; A376-N380 PolarHBondContact O-ND2 3.01Å
377L94.4Very high91.3Very high0 Ų071 Ų710%035%0.35CS..Hα-helixtrans-60.5-46.2173.5177.266000112.4I320 S324 M326 A364 F369 K373 L374 R375 D379 N380 V381I320-L377 HydrophobicContact CG2-CD1 3.75Å; S324-L377 WeakPolarHBondContact OG-CA 3.46Å; M326-L377 HydrophobicContact SD-CD1 4.19Å; M326-L377 HydrophobicContact SD-CD2 4.2Å; A364-L377 HydrophobicContact CB-CD2 3.48Å; A364-L377 VanDerWaalsContact CB-CD2 3.48Å; F369-L377 HydrophobicContact CD1-CD2 4.21Å; F369-L377 HydrophobicContact CE1-CB 3.81Å; F369-L377 HydrophobicContact CE1-CD2 3.98Å; K373-L377 PolarHBondContact O-N 2.92Å; L374-L377 HydrophobicContact CD1-CD2 4.45Å; R375-L377 VanDerWaalsContact C-N 3.29Å; R375-L377 PolarHBondContact O-N 2.88Å; L377-D379 VanDerWaalsContact C-N 3.29Å; L377-D379 PolarHBondContact O-N 3.29Å; L377-N380 PolarHBondContact O-N 2.66Å; L377-V381 HydrophobicContact CD1-CG2 4.24Å; L377-V381 HydrophobicContact CG-CG2 4.47Å; L377-V381 VanDerWaalsContact O-CB 3.31Å; L377-V381 WeakPolarHBondContact O-CB 3.26Å; L377-V381 WeakPolarHBondContact O-CG2 3.35Å; L377-V381 PolarHBondContact O-N 3.38Å
378L93.9Very high91.3Very high23 Ų2376.2 Ų76.212%0.1236%0.364CS..Hα-helixtrans-64.1-34.9177-74.5167.9000112.5V361 L374 R375 E382 L392 F393V361-L378 HydrophobicContact CG2-CD2 3.64Å; L374-L378 HydrophobicContact CG-CD1 4.4Å; L374-L378 WeakPolarHBondContact O-CG 3.24Å; L374-L378 PolarHBondContact O-N 2.86Å; R375-L378 PolarHBondContact O-N 2.93Å; R375-L378 VanDerWaalsContact O-N 3.1Å; L378-E382 WeakPolarHBondContact O-CB 3.48Å; L378-E382 PolarHBondContact O-N 3.12Å; L378-L392 HydrophobicContact CD2-CD2 3.99Å; L378-F393 HydrophobicContact CD1-CZ 4.06Å; L378-F393 HydrophobicContact CD2-CZ 4.1Å
379D93.8Very high91.3Very high55 Ų5574.6 Ų74.629%0.29435%0.35SS..Hα-helixtrans-70.2-46.8178.2-61-11.6000110.4R375 A376 L377 V381 E382 E383 R389R375-D379 WeakPolarHBondContact O-CB 3.36Å; R375-D379 PolarHBondContact O-N 3.01Å; A376-D379 PolarHBondContact O-N 3.16Å; L377-D379 VanDerWaalsContact C-N 3.29Å; L377-D379 PolarHBondContact O-N 3.29Å; D379-V381 PolarHBondContact O-N 3.48Å; D379-E382 PolarHBondContact O-N 3.43Å; D379-E383 PolarHBondContact O-N 3.03Å; D379-R389 IonicContact OD1-CZ 2.72Å; D379-R389 VanDerWaalsContact OD1-CZ 3.28Å; D379-R389 IonicContact OD1-NE 2.62Å; D379-R389 PolarHBondContact OD1-NE 3.05Å; D379-R389 IonicContact OD1-NH2 2.66Å; D379-R389 PolarHBondContact OD1-NH2 2.72Å
380N94Very high91.4Very high31 Ų3178.7 Ų78.717%0.16638%0.376CS..Hα-helixtrans-62.4-39.9173.8-73.4-27.4000112.5I320 D323 S324 A376 L377 R384I320-N380 HydrophobicContact CG2-CB 4.17Å; D323-N380 VanDerWaalsContact C-ND2 3.32Å; D323-N380 PolarHBondContact O-ND2 3.18Å; S324-N380 PolarHBondContact OG-ND2 3.09Å; A376-N380 WeakPolarHBondContact O-CB 3.4Å; A376-N380 VanDerWaalsContact O-CG 3.3Å; A376-N380 PolarHBondContact O-N 3.07Å; A376-N380 PolarHBondContact O-ND2 3.01Å; L377-N380 PolarHBondContact O-N 2.66Å; N380-R384 WeakPolarHBondContact O-CB 3.33Å; N380-R384 VanDerWaalsContact O-CG 3.24Å; N380-R384 WeakPolarHBondContact O-CG 3.45Å; N380-R384 PolarHBondContact O-N 3.12Å
381V94.4Very high91.4Very high1 Ų174.6 Ų74.61%0.00636%0.36CS..Hα-helixtrans-61.3-44.1172.8164.60000110.9I320 L360 L377 D379 F385 L392I320-V381 HydrophobicContact CG2-CG2 3.69Å; L360-V381 HydrophobicContact CD1-CG2 4.13Å; L377-V381 HydrophobicContact CD1-CG2 4.24Å; L377-V381 HydrophobicContact CG-CG2 4.47Å; L377-V381 VanDerWaalsContact O-CB 3.31Å; L377-V381 WeakPolarHBondContact O-CB 3.26Å; L377-V381 WeakPolarHBondContact O-CG2 3.35Å; L377-V381 PolarHBondContact O-N 3.38Å; D379-V381 PolarHBondContact O-N 3.48Å; V381-F385 HydrophobicContact CG1-CD2 4.11Å; V381-F385 WeakPolarHBondContact O-CB 3.03Å; V381-F385 PolarHBondContact O-N 2.84Å; V381-F385 VanDerWaalsContact O-N 3.11Å; V381-L392 HydrophobicContact CG1-CD1 4.35Å; V381-L392 HydrophobicContact CG1-CD2 3.76Å
382E92.9Very high91.4Very high52 Ų5271.9 Ų71.924%0.24333%0.332CS..Hα-helixtrans-63.2-48.6179.3-159.1-179.9-119.700111.4L378 D379 R386 L387 R389L378-E382 WeakPolarHBondContact O-CB 3.48Å; L378-E382 PolarHBondContact O-N 3.12Å; D379-E382 PolarHBondContact O-N 3.43Å; E382-R386 WeakPolarHBondContact O-CA 3.47Å; E382-R386 PolarHBondContact O-N 3.47Å; E382-L387 WeakPolarHBondContact CG-O 3.19Å; E382-L387 PolarHBondContact O-N 2.9Å; E382-R389 HydrophobicContact CB-CG 4.49Å; E382-R389 VanDerWaalsContact CD-CZ 3.47Å; E382-R389 HydrophobicContact CG-CG 4.45Å; E382-R389 WeakPolarHBondContact OE1-CG 3.35Å; E382-R389 IonicContact OE1-CZ 3.28Å; E382-R389 PolarHBondContact OE1-N 2.97Å; E382-R389 VanDerWaalsContact OE1-N 3.13Å; E382-R389 IonicContact OE1-NH1 4Å; E382-R389 PolarHBondContact OE1-NH1 2.81Å; E382-R389 IonicContact OE2-CZ 2.59Å; E382-R389 IonicContact OE2-NH1 3.18Å; E382-R389 PolarHBondContact OE2-NH1 2.62Å; E382-R389 IonicContact OE2-NH2 2.67Å; E382-R389 PolarHBondContact OE2-NH2 2.71Å
383E91.7Very high91.5Very high145 Ų14570.2 Ų70.268%0.67831%0.314SS*.Hα-helixtrans-68.1-53-178.2-173.6-178.2167.900112.6D379 R386D379-E383 PolarHBondContact O-N 3.03Å; E383-R386 WeakPolarHBondContact O-CG 3.39Å; E383-R386 PolarHBondContact O-N 3.03Å
384R91.2Very high91.4Very high124 Ų12470.5 Ų70.547%0.46832%0.315SS..Hα-helixtrans-67.8-44.5-174.6-66-70-157.6174.62.5111.4I320 D323 N380I320-R384 HydrophobicContact CD1-CB 3.8Å; I320-R384 HydrophobicContact CD1-CG 4.45Å; I320-R384 HydrophobicContact CG1-CB 3.58Å; I320-R384 HydrophobicContact CG1-CG 3.66Å; D323-R384 IonicContact OD1-NH2 3.1Å; D323-R384 PolarHBondContact OD1-NH2 2.97Å; D323-R384 IonicContact OD2-CZ 3.96Å; D323-R384 IonicContact OD2-NE 3.01Å; D323-R384 PolarHBondContact OD2-NE 3.23Å; D323-R384 IonicContact OD2-NH2 2.78Å; D323-R384 PolarHBondContact OD2-NH2 3.34Å; N380-R384 WeakPolarHBondContact O-CB 3.33Å; N380-R384 VanDerWaalsContact O-CG 3.24Å; N380-R384 WeakPolarHBondContact O-CG 3.45Å; N380-R384 PolarHBondContact O-N 3.12Å
385F90.9Very high91.3Very high3 Ų370.5 Ų70.51%0.01331%0.313CS..Hα-helixtrans-81-23.4178.1-70.8-38.4000113.8E316 M317 I320 K353 A356 L360 V381 L387E316-F385 HydrophobicContact CB-CD1 4.37Å; E316-F385 HydrophobicContact CB-CE1 3.62Å; E316-F385 HydrophobicContact CB-CZ 4.43Å; E316-F385 WeakPolarHBondContact OE2-CD1 3.4Å; M317-F385 HydrophobicContact CG-CZ 3.85Å; I320-F385 HydrophobicContact CD1-CD1 4.21Å; I320-F385 HydrophobicContact CD1-CD2 3.84Å; I320-F385 HydrophobicContact CD1-CE1 3.92Å; I320-F385 HydrophobicContact CD1-CE2 3.48Å; I320-F385 VanDerWaalsContact CD1-CE2 3.48Å; I320-F385 HydrophobicContact CD1-CG 4.17Å; I320-F385 HydrophobicContact CD1-CZ 3.52Å; K353-F385 HydrophobicContact CB-CB 4.23Å; K353-F385 HydrophobicContact CB-CD1 4.33Å; K353-F385 HydrophobicContact CB-CG 4.23Å; K353-F385 HydrophobicContact CD-CB 3.98Å; K353-F385 HydrophobicContact CD-CD1 3.98Å; K353-F385 HydrophobicContact CD-CG 4.29Å; K353-F385 WeakPolarHBondContact CD-O 3.28Å; K353-F385 HydrophobicContact CG-CD1 4.08Å; K353-F385 HydrophobicContact CG-CG 4.43Å; K353-F385 PolarHBondContact NZ-O 3.2Å; K353-F385 VanDerWaalsContact NZ-O 3.11Å; A356-F385 HydrophobicContact CB-CE1 4.48Å; A356-F385 HydrophobicContact CB-CE2 3.92Å; A356-F385 HydrophobicContact CB-CZ 3.67Å; L360-F385 HydrophobicContact CD1-CE2 4.41Å; V381-F385 HydrophobicContact CG1-CD2 4.11Å; V381-F385 WeakPolarHBondContact O-CB 3.03Å; V381-F385 PolarHBondContact O-N 2.84Å; V381-F385 VanDerWaalsContact O-N 3.11Å; F385-L387 HydrophobicContact CB-CD1 3.65Å; F385-L387 HydrophobicContact CB-CD2 4.42Å; F385-L387 HydrophobicContact CB-CG 3.65Å; F385-L387 HydrophobicContact CD2-CD1 4.28Å; F385-L387 HydrophobicContact CG-CD1 4.35Å
386R89.1Confident91.2Very high172 Ų17264.1 Ų64.165%0.64929%0.291SS*.THydrogen-bonded Turntrans6257.3-174.1-54.7-178.9179.3-170.8-5112.3E382 E383E382-R386 WeakPolarHBondContact O-CA 3.47Å; E382-R386 PolarHBondContact O-N 3.47Å; E383-R386 WeakPolarHBondContact O-CG 3.39Å; E383-R386 PolarHBondContact O-N 3.03Å
387L89.3Confident91Very high22 Ų2266.6 Ų66.612%0.11530%0.298CS..  trans-117.3172.9-179.8-51.8176.9000109.4K353 Y354 E382 F385 L392K353-L387 HydrophobicContact CB-CD1 4.07Å; K353-L387 HydrophobicContact CB-CD2 3.92Å; K353-L387 HydrophobicContact CB-CG 4.45Å; Y354-L387 HydrophobicContact CD1-CB 4.35Å; Y354-L387 HydrophobicContact CD1-CD1 3.8Å; Y354-L387 HydrophobicContact CD1-CD2 4.3Å; Y354-L387 HydrophobicContact CD1-CG 4.37Å; Y354-L387 HydrophobicContact CD2-CD2 4.18Å; Y354-L387 HydrophobicContact CE1-CB 3.79Å; Y354-L387 HydrophobicContact CE1-CD1 4.06Å; Y354-L387 HydrophobicContact CE1-CD2 3.95Å; Y354-L387 HydrophobicContact CE1-CG 4.13Å; Y354-L387 HydrophobicContact CE2-CD2 3.84Å; Y354-L387 HydrophobicContact CG-CD1 4.14Å; Y354-L387 HydrophobicContact CG-CD2 4.4Å; E382-L387 WeakPolarHBondContact CG-O 3.19Å; E382-L387 PolarHBondContact O-N 2.9Å; F385-L387 HydrophobicContact CB-CD1 3.65Å; F385-L387 HydrophobicContact CB-CD2 4.42Å; F385-L387 HydrophobicContact CB-CG 3.65Å; F385-L387 HydrophobicContact CD2-CD1 4.28Å; F385-L387 HydrophobicContact CG-CD1 4.35Å; L387-L392 HydrophobicContact CD1-CD1 4.23Å
388W88.3Confident90.7Very high185 Ų18566.6 Ų66.670%0.70130%0.298SS*.  trans-99.3133.3166.3-119.6-73.5000109.9V390 D391 L392W388-V390 PolarHBondContact O-N 2.91Å; W388-D391 HydrophobicContact CB-CB 4.43Å; W388-D391 PolarHBondContact O-N 3.44Å; W388-L392 PolarHBondContact O-N 2.92Å
389R89.1Confident90.4Very high80 Ų8065.5 Ų65.530%0.30229%0.292SS..Hα-helixtrans-52.3-38.5175-76.7-175.5-150.871.36.5113D379 E382 D391 L392 F393D379-R389 IonicContact OD1-CZ 2.72Å; D379-R389 VanDerWaalsContact OD1-CZ 3.28Å; D379-R389 IonicContact OD1-NE 2.62Å; D379-R389 PolarHBondContact OD1-NE 3.05Å; D379-R389 IonicContact OD1-NH2 2.66Å; D379-R389 PolarHBondContact OD1-NH2 2.72Å; E382-R389 HydrophobicContact CB-CG 4.49Å; E382-R389 VanDerWaalsContact CD-CZ 3.47Å; E382-R389 HydrophobicContact CG-CG 4.45Å; E382-R389 WeakPolarHBondContact OE1-CG 3.35Å; E382-R389 IonicContact OE1-CZ 3.28Å; E382-R389 PolarHBondContact OE1-N 2.97Å; E382-R389 VanDerWaalsContact OE1-N 3.13Å; E382-R389 IonicContact OE1-NH1 4Å; E382-R389 PolarHBondContact OE1-NH1 2.81Å; E382-R389 IonicContact OE2-CZ 2.59Å; E382-R389 IonicContact OE2-NH1 3.18Å; E382-R389 PolarHBondContact OE2-NH1 2.62Å; E382-R389 IonicContact OE2-NH2 2.67Å; E382-R389 PolarHBondContact OE2-NH2 2.71Å; R389-D391 VanDerWaalsContact C-N 3.34Å; R389-D391 PolarHBondContact O-N 2.91Å; R389-L392 WeakPolarHBondContact O-CB 3.17Å; R389-L392 PolarHBondContact O-N 3.12Å; R389-F393 HydrophobicContact CB-CE2 4.41Å; R389-F393 WeakPolarHBondContact O-CD2 3.34Å; R389-F393 PolarHBondContact O-N 3.35Å; R389-F393 VanDerWaalsContact O-N 3.14Å
390V88.8Confident90.2Very high100 Ų10063.2 Ų63.261%0.60628%0.281SS*.Hα-helixtrans-62.1-40.4179.2-179.20000111.9W388W388-V390 PolarHBondContact O-N 2.91Å
391D88.8Confident89.9Confident48 Ų4864.3 Ų64.326%0.25729%0.289SS..Hα-helixtrans-74.1-36.2177-71.8-37.2000111.4Y354 W388 R389 F393 K394 Y395Y354-D391 HydrophobicContact CD1-CB 4.46Å; Y354-D391 HydrophobicContact CE1-CB 3.57Å; W388-D391 HydrophobicContact CB-CB 4.43Å; W388-D391 PolarHBondContact O-N 3.44Å; R389-D391 VanDerWaalsContact C-N 3.34Å; R389-D391 PolarHBondContact O-N 2.91Å; D391-F393 VanDerWaalsContact C-N 3.32Å; D391-F393 PolarHBondContact O-N 3.31Å; D391-K394 WeakPolarHBondContact O-CB 3.45Å; D391-K394 PolarHBondContact O-N 3.35Å; D391-K394 VanDerWaalsContact O-N 3.08Å; D391-K394 WeakPolarHBondContact OD1-CE 3.39Å; D391-K394 IonicContact OD1-NZ 2.66Å; D391-K394 PolarHBondContact OD1-NZ 3.2Å; D391-Y395 VanDerWaalsContact O-CD2 3.26Å; D391-Y395 WeakPolarHBondContact O-CD2 3Å
392L90.5Very high89.5Confident4 Ų464.9 Ų64.92%0.02129%0.294CS..Hα-helixtrans-54.4-46.3174-169.573.7000112.1Y354 V358 V361 L378 V381 L387 W388 R389 K394 Y395 E396Y354-L392 HydrophobicContact CD1-CD1 4.31Å; V358-L392 HydrophobicContact CG2-CD1 3.87Å; V358-L392 HydrophobicContact CG2-CG 4.1Å; V358-L392 WeakPolarHBondContact CG2-O 3.14Å; V361-L392 HydrophobicContact CG2-CD2 4.3Å; L378-L392 HydrophobicContact CD2-CD2 3.99Å; V381-L392 HydrophobicContact CG1-CD1 4.35Å; V381-L392 HydrophobicContact CG1-CD2 3.76Å; L387-L392 HydrophobicContact CD1-CD1 4.23Å; W388-L392 PolarHBondContact O-N 2.92Å; R389-L392 WeakPolarHBondContact O-CB 3.17Å; R389-L392 PolarHBondContact O-N 3.12Å; L392-K394 VanDerWaalsContact C-N 3.26Å; L392-K394 PolarHBondContact O-N 3.2Å; L392-Y395 PolarHBondContact O-N 3.07Å; L392-E396 PolarHBondContact O-N 3.37Å
393F90.5Very high89.2Confident89 Ų8962.5 Ų62.539%0.3928%0.282SS..Hα-helixtrans-65.2-24.7178.8-72.4-60.5000114.1L378 R389 D391 Y395 E396L378-F393 HydrophobicContact CD1-CZ 4.06Å; L378-F393 HydrophobicContact CD2-CZ 4.1Å; R389-F393 HydrophobicContact CB-CE2 4.41Å; R389-F393 WeakPolarHBondContact O-CD2 3.34Å; R389-F393 PolarHBondContact O-N 3.35Å; R389-F393 VanDerWaalsContact O-N 3.14Å; D391-F393 VanDerWaalsContact C-N 3.32Å; D391-F393 PolarHBondContact O-N 3.31Å; F393-Y395 PolarHBondContact O-N 3.15Å; F393-E396 WeakPolarHBondContact CD1-OE2 3.47Å; F393-E396 PolarHBondContact O-N 2.95Å
394K89Confident88.9Confident98 Ų9860.1 Ų60.143%0.42627%0.271SS..Hα-helixtrans-64.3-28.5172.4-61.8173.2-174.4167.90112.2D391 L392 P398D391-K394 WeakPolarHBondContact O-CB 3.45Å; D391-K394 PolarHBondContact O-N 3.35Å; D391-K394 VanDerWaalsContact O-N 3.08Å; D391-K394 WeakPolarHBondContact OD1-CE 3.39Å; D391-K394 IonicContact OD1-NZ 2.66Å; D391-K394 PolarHBondContact OD1-NZ 3.2Å; L392-K394 VanDerWaalsContact C-N 3.26Å; L392-K394 PolarHBondContact O-N 3.2Å; K394-P398 WeakPolarHBondContact O-CD 3.35Å; K394-P398 WeakPolarHBondContact O-CG 3.26Å
395Y90.5Very high88.7Confident32 Ų3259.9 Ų59.913%0.12527%0.274CS..Hα-helixtrans-89.6-8.7178.5-69.3-90.2000113.7H227 L228 N351 Y354 L355 D391 L392 F393 P398 V399H227-Y395 HydrophobicContact CB-CD1 4.33Å; H227-Y395 HydrophobicContact CB-CE1 3.92Å; H227-Y395 VanDerWaalsContact O-CE1 3.31Å; H227-Y395 WeakPolarHBondContact O-CE1 3.41Å; L228-Y395 HydrophobicContact CD2-CD1 3.9Å; L228-Y395 HydrophobicContact CD2-CE1 4.31Å; N351-Y395 HydrophobicContact CB-CE1 3.96Å; Y354-Y395 AromaticContact CD1-CD2 3.86Å; Y354-Y395 HydrophobicContact CD1-CD2 3.86Å; Y354-Y395 AromaticContact CD1-CE2 3.89Å; Y354-Y395 HydrophobicContact CD1-CE2 3.89Å; Y354-Y395 AromaticContact CD2-CE2 3.95Å; Y354-Y395 HydrophobicContact CD2-CE2 3.95Å; Y354-Y395 HydrophobicContact CE1-CE2 4.45Å; Y354-Y395 HydrophobicContact CE2-CE2 4.49Å; Y354-Y395 AromaticContact CG-CD2 3.77Å; Y354-Y395 HydrophobicContact CG-CD2 3.77Å; Y354-Y395 AromaticContact CG-CE2 3.61Å; Y354-Y395 HydrophobicContact CG-CE2 3.61Å; L355-Y395 HydrophobicContact CD1-CD1 4.04Å; L355-Y395 HydrophobicContact CD1-CE1 4.31Å; D391-Y395 VanDerWaalsContact O-CD2 3.26Å; D391-Y395 WeakPolarHBondContact O-CD2 3Å; L392-Y395 PolarHBondContact O-N 3.07Å; F393-Y395 PolarHBondContact O-N 3.15Å; Y395-P398 VanDerWaalsContact C-CD 3.47Å; Y395-P398 WeakPolarHBondContact O-CD 3.34Å; Y395-V399 WeakPolarHBondContact O-CB 3.42Å; Y395-V399 WeakPolarHBondContact O-CG2 3.46Å; Y395-V399 PolarHBondContact O-N 3.05Å; Y395-V399 VanDerWaalsContact O-N 3.09Å
396E90.1Very high88.4Confident44 Ų4460.8 Ų60.821%0.20628%0.282CS..Hα-helixtrans-59.7-62.6-178.3-175.5175.6159.400112.5L362 K365 L392 F393 V399 A400L362-E396 HydrophobicContact CD2-CG 3.86Å; K365-E396 IonicContact NZ-OE1 2.77Å; K365-E396 PolarHBondContact NZ-OE1 3.28Å; K365-E396 IonicContact NZ-OE2 2.92Å; K365-E396 PolarHBondContact NZ-OE2 2.77Å; L392-E396 PolarHBondContact O-N 3.37Å; F393-E396 WeakPolarHBondContact CD1-OE2 3.47Å; F393-E396 PolarHBondContact O-N 2.95Å; E396-V399 PolarHBondContact O-N 3.24Å; E396-A400 PolarHBondContact O-N 3.39Å
397L89.1Confident88.3Confident91 Ų9153.7 Ų53.748%0.47626%0.257SS..Hα-helixtrans-72.7-31.5-176.8176.175.9000112.8F224 V399 A400 V401 F405F224-L397 HydrophobicContact CE1-CB 4.29Å; F224-L397 HydrophobicContact CE1-CD2 4.15Å; F224-L397 HydrophobicContact CE1-CG 3.8Å; F224-L397 HydrophobicContact CE2-CB 4.4Å; F224-L397 HydrophobicContact CE2-CD2 4.13Å; F224-L397 HydrophobicContact CE2-CG 4.37Å; F224-L397 HydrophobicContact CZ-CB 3.51Å; F224-L397 HydrophobicContact CZ-CD2 3.52Å; F224-L397 HydrophobicContact CZ-CG 3.36Å; L397-V399 VanDerWaalsContact C-N 3.35Å; L397-V399 PolarHBondContact O-N 2.95Å; L397-A400 PolarHBondContact O-N 3.26Å; L397-V401 HydrophobicContact CD1-CG2 4.39Å; L397-V401 HydrophobicContact CG-CG2 4.48Å; L397-V401 WeakPolarHBondContact O-CB 3.26Å; L397-V401 VanDerWaalsContact O-CG2 3.3Å; L397-V401 WeakPolarHBondContact O-CG2 3.37Å; L397-V401 PolarHBondContact O-N 3.05Å; L397-F405 HydrophobicContact CD1-CE1 3.81Å; L397-F405 HydrophobicContact CD1-CZ 3.73Å
398P88.4Confident88.2Confident0 Ų060.1 Ų60.10%029%0.286CS..Hα-helixtrans-62.2-39.7170.6-24.334.6000112.8F224 M225 L228 K394 Y395 A402F224-P398 HydrophobicContact CD1-CG 4.24Å; F224-P398 HydrophobicContact CD2-CG 4.29Å; F224-P398 VanDerWaalsContact CE1-CA 3.48Å; F224-P398 HydrophobicContact CE1-CB 4.02Å; F224-P398 HydrophobicContact CE1-CG 3.66Å; F224-P398 VanDerWaalsContact CE1-N 3.34Å; F224-P398 HydrophobicContact CE2-CG 3.7Å; F224-P398 HydrophobicContact CZ-CB 4.2Å; F224-P398 HydrophobicContact CZ-CG 3.36Å; M225-P398 HydrophobicContact CE-CB 4.4Å; L228-P398 VanDerWaalsContact CD1-C 3.48Å; L228-P398 HydrophobicContact CD1-CB 3.56Å; L228-P398 VanDerWaalsContact CD1-O 3.27Å; L228-P398 WeakPolarHBondContact CD1-O 3.07Å; L228-P398 HydrophobicContact CG-CB 3.74Å; K394-P398 WeakPolarHBondContact O-CD 3.35Å; K394-P398 WeakPolarHBondContact O-CG 3.26Å; Y395-P398 VanDerWaalsContact C-CD 3.47Å; Y395-P398 WeakPolarHBondContact O-CD 3.34Å; P398-A402 WeakPolarHBondContact O-CB 3.31Å; P398-A402 PolarHBondContact O-N 2.87Å
399V88.7Confident88Confident0 Ų051.9 Ų51.90%026%0.256CS..Hα-helixtrans-68.8-40.5176.2172.30000110.6L228 L355 V358 L362 Y395 E396 L397 A402 L403L228-V399 HydrophobicContact CD2-CG2 4.31Å; L355-V399 HydrophobicContact CD2-CG2 4.44Å; L355-V399 HydrophobicContact CG-CG2 3.9Å; V358-V399 HydrophobicContact CB-CG2 4.48Å; V358-V399 HydrophobicContact CG1-CB 3.69Å; V358-V399 HydrophobicContact CG1-CG1 3.92Å; V358-V399 HydrophobicContact CG1-CG2 3.93Å; L362-V399 HydrophobicContact CD1-CB 4.31Å; L362-V399 HydrophobicContact CD1-CG1 3.82Å; Y395-V399 WeakPolarHBondContact O-CB 3.42Å; Y395-V399 WeakPolarHBondContact O-CG2 3.46Å; Y395-V399 PolarHBondContact O-N 3.05Å; Y395-V399 VanDerWaalsContact O-N 3.09Å; E396-V399 PolarHBondContact O-N 3.24Å; L397-V399 VanDerWaalsContact C-N 3.35Å; L397-V399 PolarHBondContact O-N 2.95Å; V399-A402 CarbonylContact O-C 3.6Å; V399-A402 PolarHBondContact O-N 3.33Å; V399-L403 HydrophobicContact CG1-CD1 3.91Å; V399-L403 HydrophobicContact CG1-CG 4.36Å; V399-L403 WeakPolarHBondContact O-CB 3.43Å; V399-L403 VanDerWaalsContact O-CG 3.3Å; V399-L403 WeakPolarHBondContact O-CG 3.49Å; V399-L403 PolarHBondContact O-N 3Å
400A88.9Confident87.7Confident6 Ų650.1 Ų50.15%0.0526%0.255CS..Hα-helixtrans-60.7-45.1174.400000112.5L362 E396 L397 A402 L403 E404 F405L362-A400 HydrophobicContact CD2-CB 4.5Å; E396-A400 PolarHBondContact O-N 3.39Å; L397-A400 PolarHBondContact O-N 3.26Å; A400-A402 VanDerWaalsContact C-N 3.34Å; A400-L403 CarbonylContact O-C 3.5Å; A400-L403 PolarHBondContact O-N 3.18Å; A400-E404 PolarHBondContact O-N 3.49Å; A400-F405 HydrophobicContact CB-CD1 4.08Å; A400-F405 HydrophobicContact CB-CE1 3.84Å; A400-F405 PolarHBondContact O-N 3.3Å
401V87.5Confident87.5Confident55 Ų5550.5 Ų50.533%0.33326%0.259SS..Hα-helixtrans-61.4-42.8172.5170.20000111F224 M225 L397 L403 E404 F405F224-V401 HydrophobicContact CE1-CG2 4.04Å; M225-V401 HydrophobicContact CE-CB 4.37Å; M225-V401 HydrophobicContact CE-CG1 3.98Å; L397-V401 HydrophobicContact CD1-CG2 4.39Å; L397-V401 HydrophobicContact CG-CG2 4.48Å; L397-V401 WeakPolarHBondContact O-CB 3.26Å; L397-V401 VanDerWaalsContact O-CG2 3.3Å; L397-V401 WeakPolarHBondContact O-CG2 3.37Å; L397-V401 PolarHBondContact O-N 3.05Å; V401-L403 PolarHBondContact O-N 3.43Å; V401-E404 WeakPolarHBondContact O-CA 3.15Å; V401-E404 PolarHBondContact O-N 3.16Å; V401-F405 HydrophobicContact CB-CE2 4.35Å; V401-F405 HydrophobicContact CG2-CE2 3.65Å; V401-F405 HydrophobicContact CG2-CZ 3.56Å
402A86.1Confident87.1Confident13 Ų1352.8 Ų52.811%0.10728%0.275CS..Hα-helixtrans-69.4-19.9178.100000113.4L228 K344 L346 P398 V399 A400 E404L228-A402 HydrophobicContact CD1-CB 3.8Å; K344-A402 WeakPolarHBondContact CD-O 3.46Å; K344-A402 WeakPolarHBondContact CE-O 3.47Å; K344-A402 PolarHBondContact NZ-O 3.28Å; L346-A402 HydrophobicContact CD1-CB 3.56Å; P398-A402 WeakPolarHBondContact O-CB 3.31Å; P398-A402 PolarHBondContact O-N 2.87Å; V399-A402 CarbonylContact O-C 3.6Å; V399-A402 PolarHBondContact O-N 3.33Å; A400-A402 VanDerWaalsContact C-N 3.34Å; A402-E404 VanDerWaalsContact C-N 3.29Å
403L86.1Confident86.6Confident1 Ų153.5 Ų53.51%0.00528%0.279CS..THydrogen-bonded Turntrans-89.510.3167.8-66.5169.4000112.2Y337 Q340 L362 V399 A400 V401 F405 A406 L407Y337-L403 HydrophobicContact CD1-CD1 3.88Å; Y337-L403 HydrophobicContact CD1-CD2 4.43Å; Y337-L403 HydrophobicContact CG-CD1 3.89Å; Q340-L403 HydrophobicContact CB-CD2 3.76Å; L362-L403 HydrophobicContact CD1-CD1 4.42Å; V399-L403 HydrophobicContact CG1-CD1 3.91Å; V399-L403 HydrophobicContact CG1-CG 4.36Å; V399-L403 WeakPolarHBondContact O-CB 3.43Å; V399-L403 VanDerWaalsContact O-CG 3.3Å; V399-L403 WeakPolarHBondContact O-CG 3.49Å; V399-L403 PolarHBondContact O-N 3Å; A400-L403 CarbonylContact O-C 3.5Å; A400-L403 PolarHBondContact O-N 3.18Å; V401-L403 PolarHBondContact O-N 3.43Å; L403-F405 PolarHBondContact O-N 3.14Å; L403-F405 VanDerWaalsContact O-N 3.13Å; L403-A406 WeakPolarHBondContact O-CB 3.07Å; L403-A406 PolarHBondContact O-N 3.49Å; L403-L407 HydrophobicContact CD1-CD2 4Å
404E86Confident86.3Confident95 Ų9551 Ų5144%0.44427%0.269SS..THydrogen-bonded Turntrans55.226.3-177.1-69.9139.1-141.400113.5K344 A400 V401 A402 A406K344-E404 IonicContact NZ-OE1 2.7Å; K344-E404 PolarHBondContact NZ-OE1 3.06Å; K344-E404 IonicContact NZ-OE2 3.92Å; A400-E404 PolarHBondContact O-N 3.49Å; V401-E404 WeakPolarHBondContact O-CA 3.15Å; V401-E404 PolarHBondContact O-N 3.16Å; A402-E404 VanDerWaalsContact C-N 3.29Å; E404-A406 PolarHBondContact O-N 3.08Å
405F87.1Confident86Confident119 Ų11948.3 Ų48.352%0.52227%0.265SS..THydrogen-bonded Turntrans54.313.1-168.7-62.7-85.4000115L397 A400 V401 L403 L407L397-F405 HydrophobicContact CD1-CE1 3.81Å; L397-F405 HydrophobicContact CD1-CZ 3.73Å; A400-F405 HydrophobicContact CB-CD1 4.08Å; A400-F405 HydrophobicContact CB-CE1 3.84Å; A400-F405 PolarHBondContact O-N 3.3Å; V401-F405 HydrophobicContact CB-CE2 4.35Å; V401-F405 HydrophobicContact CG2-CE2 3.65Å; V401-F405 HydrophobicContact CG2-CZ 3.56Å; L403-F405 PolarHBondContact O-N 3.14Å; L403-F405 VanDerWaalsContact O-N 3.13Å; F405-L407 PolarHBondContact O-N 3.36Å
406A84.8Confident85.6Confident22 Ų2247.8 Ų47.818%0.18227%0.267CS..  trans-86.162.4-173.400000110.6F253 L403 E404F253-A406 HydrophobicContact CD2-CB 3.89Å; F253-A406 HydrophobicContact CE1-CB 4.02Å; F253-A406 HydrophobicContact CE2-CB 3.14Å; F253-A406 HydrophobicContact CZ-CB 3.23Å; L403-A406 WeakPolarHBondContact O-CB 3.07Å; L403-A406 PolarHBondContact O-N 3.49Å; E404-A406 PolarHBondContact O-N 3.08Å
407L86.9Confident85.5Confident24 Ų2446.2 Ų46.213%0.12626%0.26CS..  trans-81.2-22.8-168.3-65.9171.6000112.9Q333 Y337 L366 L403 F405 L409Q333-L407 PolarHBondContact NE2-O 3.48Å; Y337-L407 HydrophobicContact CE1-CD2 3.98Å; Y337-L407 HydrophobicContact CE2-CD2 4.29Å; Y337-L407 PolarHBondContact OH-O 2.92Å; L366-L407 HydrophobicContact CD1-CB 3.65Å; L366-L407 HydrophobicContact CD1-CD1 4.06Å; L366-L407 HydrophobicContact CD1-CD2 4.25Å; L366-L407 HydrophobicContact CD1-CG 4.18Å; L366-L407 HydrophobicContact CD2-CB 4Å; L366-L407 HydrophobicContact CD2-CD1 4Å; L366-L407 HydrophobicContact CG-CB 4.48Å; L366-L407 HydrophobicContact CG-CD1 4.45Å; L403-L407 HydrophobicContact CD1-CD2 4Å; F405-L407 PolarHBondContact O-N 3.36Å; L407-L409 PolarHBondContact O-N 3.26Å
408H87.6Confident85.4Confident157 Ų15746.7 Ų46.773%0.72726%0.256SS*.SBendtrans-82.294.9170.1-66.1-71.4000109.7
409L83.1Confident85.3Confident12 Ų1252.3 Ų52.36%0.06328%0.283CS..  trans-80148.2178.7-60.3172.8000111F253 Q333 Y337 Q340 L407 I414F253-L409 HydrophobicContact CZ-CD2 4.32Å; Q333-L409 HydrophobicContact CG-CD1 4.29Å; Y337-L409 HydrophobicContact CD1-CD1 3.91Å; Y337-L409 HydrophobicContact CD1-CG 4.49Å; Y337-L409 HydrophobicContact CE1-CD1 3.72Å; Y337-L409 HydrophobicContact CE1-CD2 4.41Å; Y337-L409 HydrophobicContact CE1-CG 3.96Å; Q340-L409 VanDerWaalsContact NE2-CD2 3.32Å; L407-L409 PolarHBondContact O-N 3.26Å; L409-I414 HydrophobicContact CB-CD1 4.16Å; L409-I414 HydrophobicContact CB-CG1 4.05Å
410P83.6Confident85Confident43 Ų4354.6 Ų54.628%0.27929%0.293SS..  trans-55.8136.4171.8-23.933.7000111.1V412 V413P410-V412 PolarHBondContact O-N 2.76Å; P410-V413 HydrophobicContact CB-CG2 4.32Å; P410-V413 HydrophobicContact CG-CG2 4.43Å; P410-V413 PolarHBondContact O-N 3.48Å
411P83.6Confident84.8Confident108 Ų10855 Ų5570%0.70129%0.294SS*.Hα-helixtrans-54.7-30.6-177.8-29.335.8000114.1V413 I414 A415P411-V413 VanDerWaalsContact C-N 3.32Å; P411-V413 PolarHBondContact O-N 3.34Å; P411-I414 PolarHBondContact O-N 2.72Å; P411-A415 WeakPolarHBondContact O-CB 3.43Å; P411-A415 PolarHBondContact O-N 2.73Å
412V81.1Confident84.6Confident96 Ų9654.3 Ų54.358%0.58229%0.294SS*.Hα-helixtrans-58.9-40.4176.5-177.60000112.2P410 A416P410-V412 PolarHBondContact O-N 2.76Å; V412-A416 PolarHBondContact O-N 2.84Å
413V79.3Confident84.3Confident18 Ų1864.2 Ų64.211%0.10933%0.329CS..Hα-helixtrans-68.7-45.7179.6-178.40000110.2W256 P410 P411 A416 H417W256-V413 HydrophobicContact CD2-CG2 3.99Å; W256-V413 HydrophobicContact CE3-CG2 3.79Å; W256-V413 HydrophobicContact CH2-CG1 4.11Å; W256-V413 HydrophobicContact CH2-CG2 3.99Å; W256-V413 HydrophobicContact CZ2-CG1 4.45Å; W256-V413 HydrophobicContact CZ2-CG2 4.17Å; W256-V413 HydrophobicContact CZ3-CG2 3.79Å; P410-V413 HydrophobicContact CB-CG2 4.32Å; P410-V413 HydrophobicContact CG-CG2 4.43Å; P410-V413 PolarHBondContact O-N 3.48Å; P411-V413 VanDerWaalsContact C-N 3.32Å; P411-V413 PolarHBondContact O-N 3.34Å; V413-A416 PolarHBondContact O-N 2.86Å; V413-H417 PolarHBondContact O-CD2 3.03Å
414I85.5Confident83.4Confident37 Ų3768.3 Ų68.319%0.1935%0.348CS..Hα-helixtrans-64.6-41.8177.8-55.9176.9000110.3A332 Q333 L409 P411 A416 H417 Y418A332-I414 HydrophobicContact CB-CG2 3.8Å; Q333-I414 HydrophobicContact CB-CD1 4.4Å; Q333-I414 HydrophobicContact CG-CD1 4.31Å; L409-I414 HydrophobicContact CB-CD1 4.16Å; L409-I414 HydrophobicContact CB-CG1 4.05Å; P411-I414 PolarHBondContact O-N 2.72Å; I414-A416 VanDerWaalsContact C-N 3.31Å; I414-A416 PolarHBondContact O-N 3.07Å; I414-H417 PolarHBondContact O-N 3.06Å; I414-Y418 WeakPolarHBondContact O-CB 3.49Å; I414-Y418 PolarHBondContact O-N 3.18Å
415A82.9Confident81.9Confident42 Ų4269.6 Ų69.635%0.34737%0.367SS..Hα-helixtrans-59.4-38.5-178.600000112.8P411 Y418 Q419P411-A415 WeakPolarHBondContact O-CB 3.43Å; P411-A415 PolarHBondContact O-N 2.73Å; A415-Y418 PolarHBondContact O-N 3.44Å; A415-Q419 WeakPolarHBondContact O-CB 3.46Å; A415-Q419 VanDerWaalsContact O-CG 3.29Å; A415-Q419 WeakPolarHBondContact O-CG 3.18Å; A415-Q419 PolarHBondContact O-N 3.35Å
416A82.5Confident81.7Confident20 Ų2067.1 Ų67.117%0.16536%0.359CS..Hα-helixtrans-62.5-47.5176.400000112.3L264 V412 V413 I414 K420L264-A416 HydrophobicContact CD2-CB 3.62Å; V412-A416 PolarHBondContact O-N 2.84Å; V413-A416 PolarHBondContact O-N 2.86Å; I414-A416 VanDerWaalsContact C-N 3.31Å; I414-A416 PolarHBondContact O-N 3.07Å; A416-K420 PolarHBondContact O-N 3.34Å; A416-K420 VanDerWaalsContact O-N 3.12Å
417H86.6Confident81.5Confident12 Ų1269.5 Ų69.56%0.05637%0.368CS..Hα-helixtrans-68.4-36.5176-68.9-69.5000112S266 A332 S336 D339 V413 I414 K420 L421S266-H417 PolarHBondContact OG-CE1 3.33Å; S266-H417 VanDerWaalsContact OG-CE1 3.29Å; S266-H417 PolarHBondContact OG-NE2 2.84Å; A332-H417 HydrophobicContact CB-CB 3.98Å; S336-H417 PolarHBondContact OG-CD2 3.27Å; D339-H417 IonicContact OD2-CE1 3.37Å; D339-H417 PolarHBondContact OD2-CE1 2.84Å; V413-H417 PolarHBondContact O-CD2 3.03Å; I414-H417 PolarHBondContact O-N 3.06Å; H417-K420 PolarHBondContact O-N 3.27Å; H417-L421 WeakPolarHBondContact O-CB 3.27Å; H417-L421 WeakPolarHBondContact O-CD1 3.44Å; H417-L421 WeakPolarHBondContact O-CG 3.25Å; H417-L421 PolarHBondContact O-N 3.29Å
418Y88.1Confident81.2Confident100 Ų10072 Ų7239%0.39238%0.382SS..Hα-helixtrans-62.8-49175.9-179.6-86.6000111.6L328 A329 I414 A415 K420 L421 A422L328-Y418 HydrophobicContact CB-CD2 4.04Å; L328-Y418 HydrophobicContact CB-CE2 3.66Å; A329-Y418 HydrophobicContact CB-CD2 4.47Å; I414-Y418 WeakPolarHBondContact O-CB 3.49Å; I414-Y418 PolarHBondContact O-N 3.18Å; A415-Y418 PolarHBondContact O-N 3.44Å; Y418-K420 VanDerWaalsContact C-N 3.33Å; Y418-K420 PolarHBondContact O-N 2.88Å; Y418-L421 PolarHBondContact O-N 3.44Å; Y418-A422 WeakPolarHBondContact O-CB 3.3Å; Y418-A422 PolarHBondContact O-N 3.25Å
419Q86.2Confident80.8Confident119 Ų11967 Ų6756%0.55636%0.362SS*.Hα-helixtrans-56-49175.4-77.4175.1-11.900110.5A415 L421 A422 W423A415-Q419 WeakPolarHBondContact O-CB 3.46Å; A415-Q419 VanDerWaalsContact O-CG 3.29Å; A415-Q419 WeakPolarHBondContact O-CG 3.18Å; A415-Q419 PolarHBondContact O-N 3.35Å; Q419-L421 PolarHBondContact O-N 2.66Å; Q419-A422 WeakPolarHBondContact O-CB 3.45Å; Q419-A422 PolarHBondContact O-N 2.98Å; Q419-W423 PolarHBondContact O-N 2.85Å
420K81Confident80.7Confident48 Ų4870.4 Ų70.421%0.20938%0.38CS..Hα-helixtrans-58.5-48.3177.3-179.6165.4-179.1171.80112.6D270 A416 H417 Y418 A422 W423 E424D270-K420 VanDerWaalsContact CG-NZ 3.26Å; D270-K420 IonicContact OD2-NZ 3Å; D270-K420 PolarHBondContact OD2-NZ 3.28Å; A416-K420 PolarHBondContact O-N 3.34Å; A416-K420 VanDerWaalsContact O-N 3.12Å; H417-K420 PolarHBondContact O-N 3.27Å; Y418-K420 VanDerWaalsContact C-N 3.33Å; Y418-K420 PolarHBondContact O-N 2.88Å; K420-A422 PolarHBondContact O-N 3.2Å; K420-W423 PolarHBondContact O-N 3.05Å; K420-E424 WeakPolarHBondContact CE-OE1 3.13Å; K420-E424 HydrophobicContact CG-CG 4.48Å; K420-E424 IonicContact NZ-OE1 3.59Å; K420-E424 WeakPolarHBondContact O-CG 3.35Å; K420-E424 PolarHBondContact O-N 3.08Å
421L85.2Confident80.5Confident14 Ų1472.3 Ų72.37%0.07339%0.387CS..Hα-helixtrans-61.9-33.1178-71.3165.7000112.5R318 L331 A332 H417 Y418 Q419 S425R318-L421 HydrophobicContact CG-CD2 4.47Å; L331-L421 HydrophobicContact CB-CD1 4.27Å; L331-L421 HydrophobicContact CD2-CD1 3.95Å; L331-L421 HydrophobicContact CD2-CD2 3.86Å; L331-L421 HydrophobicContact CD2-CG 4.49Å; L331-L421 HydrophobicContact CG-CD1 3.76Å; L331-L421 HydrophobicContact CG-CD2 4.34Å; A332-L421 HydrophobicContact CB-CD1 3.98Å; H417-L421 WeakPolarHBondContact O-CB 3.27Å; H417-L421 WeakPolarHBondContact O-CD1 3.44Å; H417-L421 WeakPolarHBondContact O-CG 3.25Å; H417-L421 PolarHBondContact O-N 3.29Å; Y418-L421 PolarHBondContact O-N 3.44Å; Q419-L421 PolarHBondContact O-N 2.66Å; L421-S425 PolarHBondContact O-OG 3.47Å
422A83.8Confident80.3Confident40 Ų4069.7 Ų69.733%0.33137%0.365SS..Hα-helixtrans-71.5-40.3174.800000112.5Y418 Q419 K420 E424 S425Y418-A422 WeakPolarHBondContact O-CB 3.3Å; Y418-A422 PolarHBondContact O-N 3.25Å; Q419-A422 WeakPolarHBondContact O-CB 3.45Å; Q419-A422 PolarHBondContact O-N 2.98Å; K420-A422 PolarHBondContact O-N 3.2Å; A422-E424 VanDerWaalsContact C-N 3.33Å; A422-E424 PolarHBondContact O-N 3.38Å; A422-S425 WeakPolarHBondContact O-CB 3.48Å; A422-S425 PolarHBondContact O-N 2.95Å
423W79.1Confident80.2Confident222 Ų22267.7 Ų67.784%0.84135%0.348SS*.Hα-helixtrans-67.1-31.3174.9-75.1114.3000113.5Q419 K420 S425Q419-W423 PolarHBondContact O-N 2.85Å; K420-W423 PolarHBondContact O-N 3.05Å; W423-S425 VanDerWaalsContact C-N 3.27Å; W423-S425 PolarHBondContact O-N 3.4Å
424E68Low80.3Confident87 Ų8771.8 Ų71.841%0.40737%0.368SS..THydrogen-bonded Turntrans-82.54.5174.9-62.7179.3-175.400113.7R318 K420 A422R318-E424 VanDerWaalsContact CZ-O 3.25Å; R318-E424 IonicContact CZ-OE2 2.73Å; R318-E424 PolarHBondContact NH1-O 2.95Å; R318-E424 IonicContact NH1-OE2 3.98Å; R318-E424 PolarHBondContact NH1-OE2 3.06Å; R318-E424 PolarHBondContact NH2-O 2.96Å; K420-E424 WeakPolarHBondContact CE-OE1 3.13Å; K420-E424 HydrophobicContact CG-CG 4.48Å; K420-E424 IonicContact NZ-OE1 3.59Å; K420-E424 WeakPolarHBondContact O-CG 3.35Å; K420-E424 PolarHBondContact O-N 3.08Å; A422-E424 VanDerWaalsContact C-N 3.33Å; A422-E424 PolarHBondContact O-N 3.38Å
425S54.9Low79.8Confident121 Ų12175 Ų7585%0.84638%0.384SS*.  trans-95.20-177.8-63.90000113R318 L421 A422 W423R318-S425 PolarHBondContact NH2-OG 3.37Å; L421-S425 PolarHBondContact O-OG 3.47Å; A422-S425 WeakPolarHBondContact O-CB 3.48Å; A422-S425 PolarHBondContact O-N 2.95Å; W423-S425 VanDerWaalsContact C-N 3.27Å; W423-S425 PolarHBondContact O-N 3.4Å

Retrieved 425 of 425 residues in 209.8 ms (Link to these results)