A0A077ZGV4_TRITR Loading...

Uncharacterized protein

AlphaFold DB , UniProt , Accession A0A077ZGV4, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 280 aa.

Structure Viewer
Loading PAE data...
(Predicted Aligned Error values between residue pairs)
Error loading PAE data: please refresh the page.

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
1M49.5Very low51.8Low233 Ų233141 Ų141100%1.14882%0.824SS**  075.20-58.4180175.700105.4
2S44.9Very low51Low115 Ų115139.8 Ų139.880%0.80482%0.82SS**  49.5110.675.1-39.10000109.1
3V52.1Low51Low139 Ų139138.4 Ų138.484%0.84281%0.814SS**  -164.6159.361.7175.30000109.4
4P56.5Low51.1Low114 Ų114137.9 Ų137.974%0.7481%0.814SS**  trans-114.2-165.5-154.642.7-30.7000117.1
5E43.3Very low50.5Low190 Ų190142 Ų14289%0.88882%0.822SS**  trans-52.3158-177.6-64.9167.894.500119.2
6S55.2Low50.2Low110 Ų110137.3 Ų137.377%0.76981%0.813SS**  trans-169.9115.8144.240.30000108.6
7S56.1Low50Low103 Ų103136.5 Ų136.572%0.7281%0.81SS**  9410674.3-65.60000114.2
8D48.4Very low49.5Very low144 Ų144136.6 Ų136.677%0.7781%0.806SS**  trans51.8125.7131.8-51.1-47.4000122.6
9N56.7Low49.2Very low160 Ų160142.3 Ų142.386%0.85681%0.812SS**  -169.1127122.2-104.6-47.4000113.3
10V51.4Low48.8Very low123 Ų123139.9 Ų139.975%0.74581%0.81SS**  trans-124.6143.7161.5172.70000106.6
11P55.9Low48.8Very low120 Ų120141.8 Ų141.878%0.77982%0.817SS**  trans-131.1141146.627.4-10.3000113.8
12T41.9Very low48.4Very low127 Ų127134.1 Ų134.178%0.77980%0.797SS**  trans-96.9132.9171.5-57.90000109.4
13T50.6Low48.4Very low121 Ų121134.6 Ų134.674%0.74280%0.801SS**  trans-154.6104.516344.70000108.7
14T52.7Low48.4Very low132 Ų132133.2 Ų133.281%0.8180%0.798SS**  96.1136.189.349.10000114.6
15E42.3Very low48.2Very low199 Ų199136.1 Ų136.193%0.9381%0.807SS**  trans-68.1168.5-176.7-62.4167.1108.100114.9
16G46.1Very low48.5Very low67 Ų67134 Ų13469%0.69180%0.802SS**  trans168.575.4165.500000117.4
17T46.6Very low48.3Very low124 Ų124134.4 Ų134.476%0.76180%0.799SS**  46.5122.4128.3-21.30000123.1
18D41.2Very low47.6Very low137 Ų137134.2 Ų134.273%0.73380%0.795SS**  trans25.7132.9142.1-56.4-46.3000122.8
19R43.9Very low47.2Very low245 Ų245132.8 Ų132.893%0.92580%0.797SS**  -178.7134.4113-98.9171.3-177.9102.7-3.4112.7
20A40Very low46.6Very low94 Ų94130.7 Ų130.778%0.77779%0.79SS**  trans-96.7132.9170.100000110.9
21L49.5Very low46.4Very low180 Ų180130.9 Ų130.994%0.94279%0.791SS**  trans-156.8118.9155.1-67.5178.9000103.9
22G40.4Very low45.5Very low72 Ų72134.9 Ų134.974%0.74280%0.8SS**  86.892.454.500000108.6
23S46.4Very low45.3Very low126 Ų126132.1 Ų132.188%0.88180%0.797SS**  trans-173.7116.3148.2-96.20000111.4
24S50.6Low45Very low110 Ų110136.9 Ų136.977%0.76980%0.801SS**  trans-63.3142.7163.7-700000110.8
25D53.1Low44.2Very low175 Ų175138.4 Ų138.494%0.93680%0.804SS**  trans-138.4146.5142.7-86.3-43.6000109.3
26N49.3Very low44.2Very low146 Ų146138.8 Ų138.878%0.78180%0.797SS**  trans-123.3151.7-148.2-162.96.8000108.4
27V51.8Low43.8Very low117 Ų117140.5 Ų140.571%0.70980%0.804SS**  trans76.7152.7153.3-161.40000117.6
28P41.7Very low43.9Very low99 Ų99142.3 Ų142.364%0.64381%0.809SS**  cis-128.6167.6-37.835.2-20.1000114T30P28-T30 PolarHBondContact O-N 3.33Å
29S39.3Very low43.5Very low114 Ų114139.5 Ų139.580%0.79781%0.812SS**  trans-47.8122.4155.837.70000114.4
30T44.5Very low43.5Very low117 Ų117132.7 Ų132.772%0.71880%0.802SS**  trans-150.6138.8150.738.90000111P28P28-T30 PolarHBondContact O-N 3.33Å
31T46.5Very low43.8Very low126 Ų126133.6 Ų133.677%0.77380%0.803SS**  trans67.8100.6148.856.40000120.3
32E36.6Very low43.8Very low205 Ų205131.1 Ų131.196%0.95879%0.791SS**  trans10.5108.7130.1-63.4-176.6125.500116
33G38.2Very low44Very low69 Ų69134.9 Ų134.971%0.71179%0.794SS**  trans-149.687.7-175.800000112.1
34R45.2Very low44Very low220 Ų220134 Ų13483%0.8378%0.783SS**  trans63.8104.6146.5-70.7174.9170.4134.9-2.4117.7R36R34-R36 PolarHBondContact O-N 2.93Å; R34-R36 VanDerWaalsContact O-N 3.17Å
35D35Very low43.5Very low165 Ų165133.1 Ų133.188%0.88277%0.774SS**  trans-25.9111.2134.6-62-64.8000112.9
36R43.1Very low42.6Very low207 Ų207130.6 Ų130.678%0.78177%0.771SS**  trans-135.595146.9-81.7-165.8-177.9110.4-1.9108R34 L38R34-R36 PolarHBondContact O-N 2.93Å; R34-R36 VanDerWaalsContact O-N 3.17Å; R36-L38 PolarHBondContact O-N 3.09Å
37A36.7Very low42.3Very low102 Ų102128.6 Ų128.684%0.84376%0.764SS**  trans-52.7106.4155.600000108.5
38L47.8Very low41.9Very low162 Ų162128 Ų12885%0.84877%0.765SS**  trans-100.988.4156.5-74.2174.5000106.4R36 S40R36-L38 PolarHBondContact O-N 3.09Å; L38-S40 PolarHBondContact O-N 3.13Å; L38-S40 VanDerWaalsContact O-N 3.1Å
39G33.8Very low41.7Very low79 Ų79127.1 Ų127.181%0.81477%0.774SS**  trans-59.8106160.900000108.5
40S44.8Very low42Very low102 Ų102124 Ų12471%0.71376%0.76SS**  trans-96.486.9154.6-158.20000105.4L38 D42L38-S40 PolarHBondContact O-N 3.13Å; L38-S40 VanDerWaalsContact O-N 3.1Å; S40-D42 PolarHBondContact O-N 2.92Å
41S46.4Very low42.4Very low113 Ų113121.8 Ų121.879%0.7975%0.749SS**  trans-6597.2163.3-152.20000105N43S41-N43 VanDerWaalsContact C-N 3.25Å; S41-N43 PolarHBondContact O-N 3.27Å
42D49.4Very low43Very low128 Ų128120.6 Ų120.668%0.68474%0.741SS**  trans-60.9103.5164-75.7-32000104.9S40 V44S40-D42 PolarHBondContact O-N 2.92Å; D42-V44 PolarHBondContact O-N 3.23Å
43N43.4Very low43.8Very low151 Ų151118.2 Ų118.281%0.80773%0.728SS**  trans-64.277.9173.4-154.6-9.7000106.3S41 P45S41-N43 VanDerWaalsContact C-N 3.25Å; S41-N43 PolarHBondContact O-N 3.27Å; N43-P45 VanDerWaalsContact O-CD 3.23Å; N43-P45 WeakPolarHBondContact O-CD 3.48Å
44V46.6Very low44.8Very low108 Ų108117.8 Ų117.866%0.65571%0.707SS**  trans-61.3114.3162.8177.70000103D42 S46D42-V44 PolarHBondContact O-N 3.23Å; V44-S46 PolarHBondContact O-N 3Å
45P40.2Very low45.7Very low90 Ų90109.5 Ų109.558%0.58468%0.681SS**  trans-56.6117.3173.716.5-19.6000105.4N43 T47N43-P45 VanDerWaalsContact O-CD 3.23Å; N43-P45 WeakPolarHBondContact O-CD 3.48Å; P45-T47 HydrophobicContact CB-CG2 4.32Å; P45-T47 PolarHBondContact O-N 3.46Å
46S33.5Very low47.1Very low123 Ų123106.6 Ų106.686%0.8666%0.658SS**  trans-61.175.8164.8-65.80000106.2V44 S48V44-S46 PolarHBondContact O-N 3Å; S46-S48 PolarHBondContact O-N 2.92Å
47T44.8Very low48Very low104 Ų104104.3 Ų104.364%0.63865%0.649SS**  trans-68.592.9166.850.20000104P45 G49P45-T47 HydrophobicContact CB-CG2 4.32Å; P45-T47 PolarHBondContact O-N 3.46Å; T47-G49 PolarHBondContact O-N 2.91Å
48S42.6Very low49.2Very low104 Ų104106 Ų10673%0.72763%0.634SS**  trans-21.7121.1159.453.20000108.9S46 G50S46-S48 PolarHBondContact O-N 2.92Å; S48-G50 PolarHBondContact O-N 3.43Å
49G38.1Very low50.2Low81 Ų8198.7 Ų98.784%0.83560%0.595SS**  trans-5088.4-177.900000111.1T47 S51T47-G49 PolarHBondContact O-N 2.91Å; G49-S51 PolarHBondContact O-N 3.15Å
50G44.6Very low51.6Low49 Ų49100.6 Ų100.651%0.50559%0.586SS.*  trans-60.899.7166.900000104.4S48 V52S48-G50 PolarHBondContact O-N 3.43Å; G50-V52 PolarHBondContact O-N 3.33Å
51S52.9Low52.1Low69 Ų69104.3 Ų104.348%0.48359%0.585SS.*  trans-43.8141.8-179.4-175.50000108.4G49 K53 E54G49-S51 PolarHBondContact O-N 3.15Å; S51-K53 CarbonylContact O-C 3.16Å; S51-K53 PolarHBondContact O-N 3.46Å; S51-E54 WeakPolarHBondContact O-CA 3.47Å; S51-E54 WeakPolarHBondContact O-CB 3.49Å; S51-E54 PolarHBondContact O-N 2.91Å
52V58.8Low52.6Low102 Ų102101.6 Ų101.662%0.61856%0.561SS**Hα-helixtrans-43.1-31.8174.8174.50000111.7G50 R56G50-V52 PolarHBondContact O-N 3.33Å; V52-R56 PolarHBondContact O-N 3.36Å; V52-R56 VanDerWaalsContact O-N 3.1Å
53K54.4Low53.2Low155 Ų15597.3 Ų97.367%0.67455%0.547SS*.Hα-helixtrans-57.5-42.4172.2-60.2-176.3-179.9-179.40114.5S51 R56 R57S51-K53 CarbonylContact O-C 3.16Å; S51-K53 PolarHBondContact O-N 3.46Å; K53-R56 PolarHBondContact O-N 2.9Å; K53-R57 VanDerWaalsContact O-CG 3.31Å; K53-R57 WeakPolarHBondContact O-CG 3.05Å; K53-R57 PolarHBondContact O-N 2.95Å
54E59.6Low54.5Low59 Ų5991.4 Ų91.428%0.27652%0.522SS..Hα-helixtrans-70-43.6179.7-177.555.5-156.500111.7S51 R56 R57 R58 R61S51-E54 WeakPolarHBondContact O-CA 3.47Å; S51-E54 WeakPolarHBondContact O-CB 3.49Å; S51-E54 PolarHBondContact O-N 2.91Å; E54-R56 VanDerWaalsContact C-N 3.28Å; E54-R56 PolarHBondContact O-N 3.39Å; E54-R57 PolarHBondContact O-N 3.03Å; E54-R57 VanDerWaalsContact O-N 3.17Å; E54-R58 WeakPolarHBondContact O-CG 3.42Å; E54-R58 PolarHBondContact O-N 3.47Å; E54-R58 IonicContact OE1-NE 3.15Å; E54-R58 PolarHBondContact OE1-NE 2.81Å; E54-R58 VanDerWaalsContact OE1-NE 3.15Å; E54-R61 IonicContact OE1-NH2 3.89Å
55T64.2Low55.8Low46 Ų4690.9 Ų90.928%0.28251%0.514SS..Hα-helixtrans-59.2-41.9174.4-52.60000111.1R58 R59T55-R58 PolarHBondContact O-N 3.1Å; T55-R59 WeakPolarHBondContact O-CB 3.31Å; T55-R59 PolarHBondContact O-N 3.17Å
56R63.5Low57.6Low104 Ų10490.7 Ų90.739%0.39251%0.509SS..Hα-helixtrans-63.3-46.5174.3-173.8-179-177.8168.56.5111.9V52 K53 E54 R58 R59 N60 T209V52-R56 PolarHBondContact O-N 3.36Å; V52-R56 VanDerWaalsContact O-N 3.1Å; K53-R56 PolarHBondContact O-N 2.9Å; E54-R56 VanDerWaalsContact C-N 3.28Å; E54-R56 PolarHBondContact O-N 3.39Å; R56-R58 VanDerWaalsContact C-N 3.3Å; R56-R58 PolarHBondContact O-N 3.49Å; R56-R59 PolarHBondContact O-N 3.01Å; R56-N60 WeakPolarHBondContact O-CB 3.36Å; R56-N60 PolarHBondContact O-N 3.21Å; R56-N60 PolarHBondContact O-OD1 3.3Å; R56-T209 PolarHBondContact NH1-O 3.26Å; R56-T209 PolarHBondContact NH2-O 3.42Å
57R61.1Low60.1Low160 Ų16085.1 Ų85.160%0.60447%0.469SS*.Hα-helixtrans-60.4-39178.1-78.3175.6175.9-170.9-2.8112.4K53 E54 R61K53-R57 VanDerWaalsContact O-CG 3.31Å; K53-R57 WeakPolarHBondContact O-CG 3.05Å; K53-R57 PolarHBondContact O-N 2.95Å; E54-R57 PolarHBondContact O-N 3.03Å; E54-R57 VanDerWaalsContact O-N 3.17Å; R57-R61 WeakPolarHBondContact O-CB 3.09Å; R57-R61 WeakPolarHBondContact O-CG 3.05Å; R57-R61 PolarHBondContact O-N 3.02Å; R57-R61 VanDerWaalsContact O-N 3.13Å
58R63.4Low62.1Low137 Ų13780.3 Ų80.352%0.51744%0.439SS..Hα-helixtrans-67.1-46.9175.9-73-175.8177.9-148.1-0.1111.6E54 T55 R56 N60 R61 L62E54-R58 WeakPolarHBondContact O-CG 3.42Å; E54-R58 PolarHBondContact O-N 3.47Å; E54-R58 IonicContact OE1-NE 3.15Å; E54-R58 PolarHBondContact OE1-NE 2.81Å; E54-R58 VanDerWaalsContact OE1-NE 3.15Å; T55-R58 PolarHBondContact O-N 3.1Å; R56-R58 VanDerWaalsContact C-N 3.3Å; R56-R58 PolarHBondContact O-N 3.49Å; R58-N60 VanDerWaalsContact C-N 3.26Å; R58-N60 PolarHBondContact O-N 2.69Å; R58-R61 PolarHBondContact O-N 2.86Å; R58-R61 VanDerWaalsContact O-N 3.09Å; R58-L62 PolarHBondContact O-N 3.12Å
59R68.4Low64.1Low9 Ų980.4 Ų80.43%0.03443%0.428CS..Hα-helixtrans-62.1-30175.3-173.5-173.5-54.3156.27.6113.9T55 R56 L62 W67 D211 D214T55-R59 WeakPolarHBondContact O-CB 3.31Å; T55-R59 PolarHBondContact O-N 3.17Å; R56-R59 PolarHBondContact O-N 3.01Å; R59-L62 CarbonylContact C-O 3.52Å; R59-W67 HydrophobicContact CB-CB 4.36Å; R59-W67 HydrophobicContact CB-CD2 4.31Å; R59-W67 HydrophobicContact CB-CG 3.85Å; R59-W67 HydrophobicContact CG-CB 4.21Å; R59-W67 HydrophobicContact CG-CD2 3.65Å; R59-W67 HydrophobicContact CG-CE3 4.1Å; R59-W67 HydrophobicContact CG-CG 3.65Å; R59-D211 IonicContact CZ-OD1 3.84Å; R59-D211 IonicContact CZ-OD2 3.31Å; R59-D211 IonicContact NH1-OD1 2.71Å; R59-D211 PolarHBondContact NH1-OD1 3.47Å; R59-D211 IonicContact NH1-OD2 3.93Å; R59-D211 PolarHBondContact NH1-OD2 3.17Å; R59-D214 IonicContact NH2-OD1 3.9Å; R59-D214 IonicContact NH2-OD2 3.94Å
60N62.3Low66.4Low118 Ų11882.2 Ų82.263%0.63142%0.415SS*.Hα-helixtrans-79-26.4175.5-72.80.8000112.4R56 R58R56-N60 WeakPolarHBondContact O-CB 3.36Å; R56-N60 PolarHBondContact O-N 3.21Å; R56-N60 PolarHBondContact O-OD1 3.3Å; R58-N60 VanDerWaalsContact C-N 3.26Å; R58-N60 PolarHBondContact O-N 2.69Å
61R55Low68.5Low180 Ų18082.4 Ų82.468%0.67941%0.406SS*.Hα-helixtrans-81.4-42.9179.1-85.9-171-83.3-163.5-1.1112.5E54 R57 R58E54-R61 IonicContact OE1-NH2 3.89Å; R57-R61 WeakPolarHBondContact O-CB 3.09Å; R57-R61 WeakPolarHBondContact O-CG 3.05Å; R57-R61 PolarHBondContact O-N 3.02Å; R57-R61 VanDerWaalsContact O-N 3.13Å; R58-R61 PolarHBondContact O-N 2.86Å; R58-R61 VanDerWaalsContact O-N 3.09Å
62L58.5Low70.4Confident57 Ų5779.2 Ų79.230%0.29838%0.384SS..SBendtrans-87.9134.3175.8-61.6162.3000106.5R58 R59 D66 W67 E70R58-L62 PolarHBondContact O-N 3.12Å; R59-L62 CarbonylContact C-O 3.52Å; L62-D66 HydrophobicContact CB-CB 4.17Å; L62-W67 HydrophobicContact CB-CB 4.1Å; L62-E70 WeakPolarHBondContact CD1-OE2 3.46Å
63G62.3Low72Confident38 Ų3877.3 Ų77.339%0.39237%0.374SS..  trans-49.9151175.800000110.7I65 D66 W67G63-I65 PolarHBondContact O-N 3.1Å; G63-D66 PolarHBondContact N-OD2 3.06Å; G63-D66 PolarHBondContact O-N 3.05Å; G63-W67 PolarHBondContact O-N 3.49Å
64G70Confident73.8Confident27 Ų2773.4 Ų73.428%0.27836%0.36SS..THydrogen-bonded Turntrans-57.8-15.6-177.500000114.6W67 Y146G64-W67 WeakPolarHBondContact O-CZ3 3.47Å; G64-Y146 WeakPolarHBondContact CA-OH 3.47Å; G64-Y146 WeakPolarHBondContact O-CE1 3.45Å; G64-Y146 PolarHBondContact O-OH 2.86Å
65I73.2Confident75.3Confident96 Ų9672.9 Ų72.949%0.49236%0.358SS..THydrogen-bonded Turntrans-86.1-45.4171.4-63.1173.5000110.4G63 W67 L68 Q69G63-I65 PolarHBondContact O-N 3.1Å; I65-W67 PolarHBondContact O-N 2.72Å; I65-L68 WeakPolarHBondContact O-CB 3.49Å; I65-L68 PolarHBondContact O-N 3.32Å; I65-L68 VanDerWaalsContact O-N 3.1Å; I65-Q69 PolarHBondContact O-N 3Å; I65-Q69 VanDerWaalsContact O-N 3.12Å
66D77.7Confident76.6Confident87 Ų8774.9 Ų74.947%0.46537%0.366SS..Hα-helixtrans-60.8-45.5-178.2-54-26.8000111.7L62 G63 L68 Q69 E70L62-D66 HydrophobicContact CB-CB 4.17Å; G63-D66 PolarHBondContact N-OD2 3.06Å; G63-D66 PolarHBondContact O-N 3.05Å; D66-L68 PolarHBondContact O-N 3.1Å; D66-Q69 PolarHBondContact O-N 2.75Å; D66-E70 WeakPolarHBondContact O-CB 3.24Å; D66-E70 PolarHBondContact O-N 2.86Å
67W86.3Confident78.1Confident5 Ų570.9 Ų70.92%0.01936%0.356CS..Hα-helixtrans-58.6-36.4176.8140.883.8000111.8R59 L62 G63 G64 I65 T71 Y146 F213R59-W67 HydrophobicContact CB-CB 4.36Å; R59-W67 HydrophobicContact CB-CD2 4.31Å; R59-W67 HydrophobicContact CB-CG 3.85Å; R59-W67 HydrophobicContact CG-CB 4.21Å; R59-W67 HydrophobicContact CG-CD2 3.65Å; R59-W67 HydrophobicContact CG-CE3 4.1Å; R59-W67 HydrophobicContact CG-CG 3.65Å; L62-W67 HydrophobicContact CB-CB 4.1Å; G63-W67 PolarHBondContact O-N 3.49Å; G64-W67 WeakPolarHBondContact O-CZ3 3.47Å; I65-W67 PolarHBondContact O-N 2.72Å; W67-T71 VanDerWaalsContact CD1-OG1 3.24Å; W67-T71 PolarHBondContact NE1-OG1 3.16Å; W67-T71 WeakPolarHBondContact O-CB 3.45Å; W67-T71 PolarHBondContact O-N 3.19Å; W67-T71 PolarHBondContact O-OG1 3.1Å; W67-Y146 HydrophobicContact CE3-CD1 4.37Å; W67-Y146 HydrophobicContact CE3-CD2 4.23Å; W67-Y146 AromaticContact CE3-CE1 3.91Å; W67-Y146 HydrophobicContact CE3-CE1 3.91Å; W67-Y146 AromaticContact CE3-CE2 3.73Å; W67-Y146 HydrophobicContact CE3-CE2 3.73Å; W67-Y146 HydrophobicContact CE3-CG 4.47Å; W67-Y146 AromaticContact CE3-CZ 3.5Å; W67-Y146 AromaticContact CH2-CD1 3.82Å; W67-Y146 HydrophobicContact CH2-CD1 3.82Å; W67-Y146 AromaticContact CH2-CD2 2.92Å; W67-Y146 HydrophobicContact CH2-CD2 2.92Å; W67-Y146 HydrophobicContact CH2-CE1 4.09Å; W67-Y146 AromaticContact CH2-CE2 3.26Å; W67-Y146 HydrophobicContact CH2-CE2 3.26Å; W67-Y146 AromaticContact CH2-CG 3.19Å; W67-Y146 HydrophobicContact CH2-CG 3.19Å; W67-Y146 AromaticContact CH2-CZ 3.8Å; W67-Y146 AromaticContact CZ2-CD2 3.92Å; W67-Y146 HydrophobicContact CZ2-CD2 3.92Å; W67-Y146 HydrophobicContact CZ2-CE2 4.09Å; W67-Y146 HydrophobicContact CZ2-CG 4.46Å; W67-Y146 AromaticContact CZ3-CD1 3.3Å; W67-Y146 HydrophobicContact CZ3-CD1 3.3Å; W67-Y146 AromaticContact CZ3-CD2 3.15Å; W67-Y146 HydrophobicContact CZ3-CD2 3.15Å; W67-Y146 AromaticContact CZ3-CE1 3.23Å; W67-Y146 HydrophobicContact CZ3-CE1 3.23Å; W67-Y146 AromaticContact CZ3-CE2 3.07Å; W67-Y146 HydrophobicContact CZ3-CE2 3.07Å; W67-Y146 AromaticContact CZ3-CG 3.21Å; W67-Y146 HydrophobicContact CZ3-CG 3.21Å; W67-Y146 AromaticContact CZ3-CZ 3.06Å; W67-F213 HydrophobicContact CH2-CE1 4.2Å; W67-F213 HydrophobicContact CH2-CZ 4.38Å; W67-F213 HydrophobicContact CZ2-CD1 4.24Å; W67-F213 AromaticContact CZ2-CE1 3.81Å; W67-F213 HydrophobicContact CZ2-CE1 3.81Å; W67-F213 HydrophobicContact CZ2-CZ 4.34Å
68L86.2Confident79.6Confident3 Ų363.3 Ų63.32%0.01633%0.327CS..Hα-helixtrans-72.7-41.1-176.6-168.944.5000111.1I65 D66 V72 V142 Q143 Y146I65-L68 WeakPolarHBondContact O-CB 3.49Å; I65-L68 PolarHBondContact O-N 3.32Å; I65-L68 VanDerWaalsContact O-N 3.1Å; D66-L68 PolarHBondContact O-N 3.1Å; L68-V72 HydrophobicContact CD1-CB 4.43Å; L68-V72 HydrophobicContact CD1-CG2 4.36Å; L68-V72 CarbonylContact O-C 3.51Å; L68-V72 WeakPolarHBondContact O-CA 2.84Å; L68-V72 PolarHBondContact O-N 2.62Å; L68-V142 HydrophobicContact CD1-CG1 4.13Å; L68-Q143 HydrophobicContact CD1-CG 4.38Å; L68-Q143 HydrophobicContact CD2-CB 4.1Å; L68-Q143 HydrophobicContact CD2-CG 3.69Å; L68-Q143 HydrophobicContact CG-CG 4.04Å; L68-Y146 HydrophobicContact CD2-CD1 3.91Å; L68-Y146 HydrophobicContact CD2-CG 4.29Å
69Q84.9Confident81Confident107 Ų10757 Ų5750%0.530%0.304SS..Hα-helixtrans-67.8-38.4177.1-67.9-176.6-1200111.2I65 D66 P73I65-Q69 PolarHBondContact O-N 3Å; I65-Q69 VanDerWaalsContact O-N 3.12Å; D66-Q69 PolarHBondContact O-N 2.75Å; Q69-P73 VanDerWaalsContact O-CA 3.26Å; Q69-P73 WeakPolarHBondContact O-CA 3.27Å; Q69-P73 WeakPolarHBondContact O-CB 3.42Å; Q69-P73 WeakPolarHBondContact O-CD 3.36Å
70E87.6Confident82.2Confident119 Ų11961.1 Ų61.156%0.55633%0.326SS*.Hα-helixtrans-72.1-42.3176.2-170.2-177.5156.900112.4L62 D66L62-E70 WeakPolarHBondContact CD1-OE2 3.46Å; D66-E70 WeakPolarHBondContact O-CB 3.24Å; D66-E70 PolarHBondContact O-N 2.86Å
71T88.6Confident83.7Confident53 Ų5356.4 Ų56.433%0.32530%0.3SS..Hα-helixtrans-76.2-34.9-178.3-53.30000112W67 P73 F81W67-T71 VanDerWaalsContact CD1-OG1 3.24Å; W67-T71 PolarHBondContact NE1-OG1 3.16Å; W67-T71 WeakPolarHBondContact O-CB 3.45Å; W67-T71 PolarHBondContact O-N 3.19Å; W67-T71 PolarHBondContact O-OG1 3.1Å; T71-P73 VanDerWaalsContact C-CD 3.45Å; T71-F81 HydrophobicContact CG2-CD2 3.73Å; T71-F81 HydrophobicContact CG2-CE2 4.03Å
72V92.1Very high85.5Confident2 Ų247.9 Ų47.91%0.01227%0.268CS..  trans-133.565-174.4-1660000111L68 D74 A78 F81 R139 V142L68-V72 HydrophobicContact CD1-CB 4.43Å; L68-V72 HydrophobicContact CD1-CG2 4.36Å; L68-V72 CarbonylContact O-C 3.51Å; L68-V72 WeakPolarHBondContact O-CA 2.84Å; L68-V72 PolarHBondContact O-N 2.62Å; V72-D74 VanDerWaalsContact C-N 3.32Å; V72-D74 PolarHBondContact O-N 3.29Å; V72-A78 HydrophobicContact CG1-CB 3.45Å; V72-A78 VanDerWaalsContact CG1-CB 3.45Å; V72-F81 HydrophobicContact CG2-CB 4.33Å; V72-F81 HydrophobicContact CG2-CG 4.23Å; V72-R139 HydrophobicContact CG1-CB 4.41Å; V72-R139 HydrophobicContact CG1-CG 4.07Å; V72-R139 PolarHBondContact O-NE 2.85Å; V72-R139 VanDerWaalsContact O-NE 3.13Å; V72-V142 HydrophobicContact CG2-CG1 4.22Å
73P91.9Very high87.2Confident62 Ų6248.1 Ų48.140%0.40327%0.265SS..SBendtrans-69.8-28.2-179.126.9-36.1000113Q69 T71 A77 R139Q69-P73 VanDerWaalsContact O-CA 3.26Å; Q69-P73 WeakPolarHBondContact O-CA 3.27Å; Q69-P73 WeakPolarHBondContact O-CB 3.42Å; Q69-P73 WeakPolarHBondContact O-CD 3.36Å; T71-P73 VanDerWaalsContact C-CD 3.45Å; P73-A77 HydrophobicContact CG-CB 4.06Å; P73-R139 PolarHBondContact O-NE 3.48Å; P73-R139 PolarHBondContact O-NH1 3.07Å; P73-R139 PolarHBondContact O-NH2 2.85Å; P73-R139 VanDerWaalsContact O-NH2 3.08Å
74D92.5Very high88.6Confident72 Ų7250.5 Ų50.539%0.38527%0.268SS..SBendtrans-143.4-179.7-1776644000112.4V72 N76 A77 A78V72-D74 VanDerWaalsContact C-N 3.32Å; V72-D74 PolarHBondContact O-N 3.29Å; D74-N76 WeakPolarHBondContact OD1-CA 3.46Å; D74-N76 WeakPolarHBondContact OD1-CB 3.4Å; D74-N76 PolarHBondContact OD1-N 3.31Å; D74-A77 WeakPolarHBondContact OD1-CB 3.19Å; D74-A77 PolarHBondContact OD1-N 3.18Å; D74-A78 PolarHBondContact O-N 2.91Å; D74-A78 VanDerWaalsContact O-N 3.1Å
75E92Very high89.6Confident49 Ų4952 Ų5223%0.22927%0.267CS..Hα-helixtrans-69.7-31.4-178.8-17074.717500112.3A78 V79 M108 R124 P137 L138 R139E75-A78 WeakPolarHBondContact O-CB 3.38Å; E75-A78 PolarHBondContact O-N 3.24Å; E75-V79 WeakPolarHBondContact O-CG2 3.39Å; E75-V79 PolarHBondContact O-N 2.91Å; E75-M108 HydrophobicContact CB-CE 4.03Å; E75-M108 HydrophobicContact CG-CE 3.37Å; E75-M108 HydrophobicContact CG-SD 4.22Å; E75-R124 IonicContact OE1-NH2 2.76Å; E75-P137 WeakPolarHBondContact OE1-CA 3.47Å; E75-P137 WeakPolarHBondContact OE2-CB 3.44Å; E75-L138 VanDerWaalsContact CD-N 3.26Å; E75-L138 WeakPolarHBondContact OE1-CB 3.34Å; E75-L138 PolarHBondContact OE1-N 3.21Å; E75-L138 PolarHBondContact OE2-N 2.68Å; E75-R139 WeakPolarHBondContact OE2-CB 3.25Å; E75-R139 PolarHBondContact OE2-N 2.87Å
76N92Very high90.5Very high87 Ų8748.9 Ų48.947%0.46526%0.258SS..Hα-helixtrans-70.9-42.5178.5-67-34.3000110.9D74 A78 V79 L80 G106 M108D74-N76 WeakPolarHBondContact OD1-CA 3.46Å; D74-N76 WeakPolarHBondContact OD1-CB 3.4Å; D74-N76 PolarHBondContact OD1-N 3.31Å; N76-A78 VanDerWaalsContact C-N 3.26Å; N76-A78 PolarHBondContact O-N 2.71Å; N76-V79 PolarHBondContact O-N 2.68Å; N76-L80 WeakPolarHBondContact O-CB 3.39Å; N76-L80 PolarHBondContact O-N 3.07Å; N76-G106 PolarHBondContact OD1-O 3.17Å; N76-G106 VanDerWaalsContact OD1-O 3.13Å; N76-M108 WeakPolarHBondContact OD1-CE 3.38Å
77A93.5Very high91.2Very high21 Ų2145.2 Ų45.217%0.17424%0.238CC..Hα-helixtrans-60.5-37.9171.500000111P73 D74 L80 F81P73-A77 HydrophobicContact CG-CB 4.06Å; D74-A77 WeakPolarHBondContact OD1-CB 3.19Å; D74-A77 PolarHBondContact OD1-N 3.18Å; A77-L80 PolarHBondContact O-N 3.33Å; A77-F81 WeakPolarHBondContact O-CB 3.31Å; A77-F81 PolarHBondContact O-N 2.93Å
78A93.9Very high91.5Very high0 Ų045.2 Ų45.20%024%0.239CC..Hα-helixtrans-63.4-44.9174.400000111.9V72 D74 E75 N76 F81 L82 L138 R139V72-A78 HydrophobicContact CG1-CB 3.45Å; V72-A78 VanDerWaalsContact CG1-CB 3.45Å; D74-A78 PolarHBondContact O-N 2.91Å; D74-A78 VanDerWaalsContact O-N 3.1Å; E75-A78 WeakPolarHBondContact O-CB 3.38Å; E75-A78 PolarHBondContact O-N 3.24Å; N76-A78 VanDerWaalsContact C-N 3.26Å; N76-A78 PolarHBondContact O-N 2.71Å; A78-F81 PolarHBondContact O-N 3.32Å; A78-L82 WeakPolarHBondContact O-CB 3.48Å; A78-L82 WeakPolarHBondContact O-CG 3.46Å; A78-L82 PolarHBondContact O-N 2.63Å; A78-L138 HydrophobicContact CB-CB 4.05Å; A78-R139 HydrophobicContact CB-CB 4.04Å
79V92.9Very high91.8Very high5 Ų547.9 Ų47.93%0.0325%0.251CS..Hα-helixtrans-59.9-48.6174.6171.90000110.7E75 N76 L82 R83 L88 M108 V123 L138E75-V79 WeakPolarHBondContact O-CG2 3.39Å; E75-V79 PolarHBondContact O-N 2.91Å; N76-V79 PolarHBondContact O-N 2.68Å; V79-L82 PolarHBondContact O-N 2.83Å; V79-R83 HydrophobicContact CG1-CG 4.31Å; V79-R83 WeakPolarHBondContact O-CB 3.48Å; V79-R83 VanDerWaalsContact O-CG 3.3Å; V79-R83 WeakPolarHBondContact O-CG 3.38Å; V79-R83 PolarHBondContact O-N 3.09Å; V79-L88 HydrophobicContact CB-CD1 4.5Å; V79-L88 HydrophobicContact CG1-CD1 4.18Å; V79-M108 HydrophobicContact CG2-CE 3.61Å; V79-M108 HydrophobicContact CG2-SD 3.61Å; V79-V123 HydrophobicContact CG2-CG2 4.39Å; V79-L138 HydrophobicContact CG2-CD1 3.49Å; V79-L138 VanDerWaalsContact CG2-CD1 3.49Å
80L92.5Very high92Very high95 Ų9550.1 Ų50.150%0.49726%0.255SS..Hα-helixtrans-61.4-47.7-179.3-177.362.4000111N76 A77 L82 R83 I84N76-L80 WeakPolarHBondContact O-CB 3.39Å; N76-L80 PolarHBondContact O-N 3.07Å; A77-L80 PolarHBondContact O-N 3.33Å; L80-L82 VanDerWaalsContact C-N 3.34Å; L80-L82 PolarHBondContact O-N 2.82Å; L80-R83 PolarHBondContact O-N 3.43Å; L80-I84 HydrophobicContact CD1-CD1 4.21Å; L80-I84 HydrophobicContact CD1-CG1 4.43Å; L80-I84 HydrophobicContact CG-CD1 3.91Å; L80-I84 VanDerWaalsContact O-CG1 3.3Å; L80-I84 WeakPolarHBondContact O-CG1 3.37Å; L80-I84 PolarHBondContact O-N 2.71Å
81F93.8Very high92.1Very high20 Ų2052.7 Ų52.79%0.08827%0.267CS..Hα-helixtrans-55.2-48.9175.9176-97000111.5T71 V72 A77 A78 R83 I84 K85 V142 F213 L217T71-F81 HydrophobicContact CG2-CD2 3.73Å; T71-F81 HydrophobicContact CG2-CE2 4.03Å; V72-F81 HydrophobicContact CG2-CB 4.33Å; V72-F81 HydrophobicContact CG2-CG 4.23Å; A77-F81 WeakPolarHBondContact O-CB 3.31Å; A77-F81 PolarHBondContact O-N 2.93Å; A78-F81 PolarHBondContact O-N 3.32Å; F81-R83 PolarHBondContact O-N 3.31Å; F81-I84 PolarHBondContact O-N 3.18Å; F81-K85 HydrophobicContact CD1-CG 4.39Å; F81-K85 HydrophobicContact CE1-CG 3.93Å; F81-K85 HydrophobicContact CE2-CG 4.18Å; F81-K85 HydrophobicContact CZ-CD 4.28Å; F81-K85 HydrophobicContact CZ-CG 3.8Å; F81-K85 WeakPolarHBondContact O-CG 3.23Å; F81-K85 PolarHBondContact O-N 2.83Å; F81-V142 HydrophobicContact CD1-CG1 4.3Å; F81-V142 HydrophobicContact CD1-CG2 4.35Å; F81-V142 HydrophobicContact CE1-CG1 4.16Å; F81-F213 HydrophobicContact CE1-CE1 4.3Å; F81-F213 HydrophobicContact CE1-CZ 4.14Å; F81-F213 AromaticContact CZ-CE1 3.8Å; F81-F213 HydrophobicContact CZ-CE1 3.8Å; F81-F213 HydrophobicContact CZ-CZ 4.11Å; F81-L217 HydrophobicContact CE1-CD1 4.31Å; F81-L217 HydrophobicContact CZ-CD1 4.24Å
82L93.8Very high92.3Very high0 Ų051.4 Ų51.40%026%0.256CS..Hα-helixtrans-67.8-33.9179.7-68.5172000112.7A78 V79 L80 K85 G86 L87 L88 F129 L138 V142A78-L82 WeakPolarHBondContact O-CB 3.48Å; A78-L82 WeakPolarHBondContact O-CG 3.46Å; A78-L82 PolarHBondContact O-N 2.63Å; V79-L82 PolarHBondContact O-N 2.83Å; L80-L82 VanDerWaalsContact C-N 3.34Å; L80-L82 PolarHBondContact O-N 2.82Å; L82-K85 PolarHBondContact O-N 3.42Å; L82-G86 PolarHBondContact O-N 3.46Å; L82-G86 VanDerWaalsContact O-N 3.11Å; L82-L87 HydrophobicContact CB-CB 4.31Å; L82-L87 HydrophobicContact CD2-CB 4.02Å; L82-L87 HydrophobicContact CD2-CD1 3.62Å; L82-L87 HydrophobicContact CD2-CG 4.49Å; L82-L87 PolarHBondContact O-N 2.89Å; L82-L88 HydrophobicContact CB-CB 4.37Å; L82-L88 HydrophobicContact CB-CD1 3.68Å; L82-L88 HydrophobicContact CB-CG 3.71Å; L82-L88 HydrophobicContact CD1-CD1 4Å; L82-L88 HydrophobicContact CD1-CG 4.31Å; L82-L88 PolarHBondContact O-N 3.31Å; L82-F129 HydrophobicContact CD1-CE2 4.23Å; L82-F129 HydrophobicContact CD1-CZ 4.17Å; L82-F129 HydrophobicContact CD2-CE2 3.99Å; L82-F129 HydrophobicContact CD2-CZ 3.86Å; L82-L138 HydrophobicContact CD1-CB 4.1Å; L82-L138 HydrophobicContact CD1-CD1 4.35Å; L82-L138 HydrophobicContact CD1-CD2 3.81Å; L82-L138 HydrophobicContact CD1-CG 4.3Å; L82-V142 HydrophobicContact CD1-CG2 4.05Å; L82-V142 HydrophobicContact CD2-CG2 3.84Å; L82-V142 HydrophobicContact CG-CG2 3.95Å
83R92.8Very high92.3Very high62 Ų6257 Ų5723%0.23428%0.283CS..Hα-helixtrans-66.8-41.7172.2-73.1176.473.8-150.1-0.2111.7V79 L80 F81 K85 G86 L88 H89 R90V79-R83 HydrophobicContact CG1-CG 4.31Å; V79-R83 WeakPolarHBondContact O-CB 3.48Å; V79-R83 VanDerWaalsContact O-CG 3.3Å; V79-R83 WeakPolarHBondContact O-CG 3.38Å; V79-R83 PolarHBondContact O-N 3.09Å; L80-R83 PolarHBondContact O-N 3.43Å; F81-R83 PolarHBondContact O-N 3.31Å; R83-K85 VanDerWaalsContact C-N 3.32Å; R83-K85 PolarHBondContact O-N 3.3Å; R83-G86 PolarHBondContact O-N 3.3Å; R83-L88 HydrophobicContact CG-CB 3.77Å; R83-H89 PolarHBondContact NE-O 3.02Å; R83-R90 PolarHBondContact NH2-O 3.47Å; R83-R90 VanDerWaalsContact O-CG 3.32Å; R83-R90 WeakPolarHBondContact O-CG 3.41Å; R83-R90 PolarHBondContact O-NE 3.46Å
84I91.9Very high92.4Very high89 Ų8954.1 Ų54.146%0.45627%0.265SS..Hα-helixtrans-62-43.2175.2-69.9167.7000109.8L80 F81 G86 R90L80-I84 HydrophobicContact CD1-CD1 4.21Å; L80-I84 HydrophobicContact CD1-CG1 4.43Å; L80-I84 HydrophobicContact CG-CD1 3.91Å; L80-I84 VanDerWaalsContact O-CG1 3.3Å; L80-I84 WeakPolarHBondContact O-CG1 3.37Å; L80-I84 PolarHBondContact O-N 2.71Å; F81-I84 PolarHBondContact O-N 3.18Å; I84-G86 PolarHBondContact O-N 3.17Å; I84-R90 PolarHBondContact O-NH2 3.4Å
85K91.8Very high92.4Very high58 Ų5854.8 Ų54.825%0.25227%0.273SS..THydrogen-bonded Turntrans-70.4-7174.9-68.7-72.2-178.5171.50114.2F81 L82 R83 L87 D214 L217F81-K85 HydrophobicContact CD1-CG 4.39Å; F81-K85 HydrophobicContact CE1-CG 3.93Å; F81-K85 HydrophobicContact CE2-CG 4.18Å; F81-K85 HydrophobicContact CZ-CD 4.28Å; F81-K85 HydrophobicContact CZ-CG 3.8Å; F81-K85 WeakPolarHBondContact O-CG 3.23Å; F81-K85 PolarHBondContact O-N 2.83Å; L82-K85 PolarHBondContact O-N 3.42Å; R83-K85 VanDerWaalsContact C-N 3.32Å; R83-K85 PolarHBondContact O-N 3.3Å; K85-L87 HydrophobicContact CB-CD1 4.03Å; K85-L87 HydrophobicContact CB-CG 4.16Å; K85-L87 PolarHBondContact O-N 3.36Å; K85-D214 IonicContact NZ-OD1 2.94Å; K85-D214 PolarHBondContact NZ-OD1 3.3Å; K85-L217 HydrophobicContact CD-CD1 4.05Å; K85-L217 HydrophobicContact CG-CD1 4.27Å
86G92.3Very high92.5Very high30 Ų3055.5 Ų55.531%0.30928%0.283SS..THydrogen-bonded Turntrans77.93.7-178.500000114.4L82 R83 I84 L88 L221L82-G86 PolarHBondContact O-N 3.46Å; L82-G86 VanDerWaalsContact O-N 3.11Å; R83-G86 PolarHBondContact O-N 3.3Å; I84-G86 PolarHBondContact O-N 3.17Å; G86-L88 VanDerWaalsContact C-N 3.32Å; G86-L221 WeakPolarHBondContact O-CD1 3.41Å
87L92.5Very high92.6Very high11 Ų1152.9 Ų52.96%0.05827%0.271CS..SBendtrans-77.4-19.7-179.2-69.5172.2000113.3L82 K85 F129 L217 I220 L221L82-L87 HydrophobicContact CB-CB 4.31Å; L82-L87 HydrophobicContact CD2-CB 4.02Å; L82-L87 HydrophobicContact CD2-CD1 3.62Å; L82-L87 HydrophobicContact CD2-CG 4.49Å; L82-L87 PolarHBondContact O-N 2.89Å; K85-L87 HydrophobicContact CB-CD1 4.03Å; K85-L87 HydrophobicContact CB-CG 4.16Å; K85-L87 PolarHBondContact O-N 3.36Å; L87-F129 HydrophobicContact CB-CE2 4.09Å; L87-L217 HydrophobicContact CD1-CB 4.16Å; L87-L217 HydrophobicContact CD1-CD2 3.57Å; L87-L217 HydrophobicContact CD1-CG 4.27Å; L87-I220 HydrophobicContact CD2-CB 3.8Å; L87-I220 HydrophobicContact CD2-CG2 3.56Å; L87-L221 HydrophobicContact CD2-CB 3.91Å; L87-L221 HydrophobicContact CD2-CD1 4.45Å
88L92.9Very high92.6Very high4 Ų454 Ų542%0.02128%0.284CS..SBendtrans-118.6151.3165.2-64.3177.6000109.3V79 L82 R83 G86 R90 V123 T127 F129 L138V79-L88 HydrophobicContact CB-CD1 4.5Å; V79-L88 HydrophobicContact CG1-CD1 4.18Å; L82-L88 HydrophobicContact CB-CB 4.37Å; L82-L88 HydrophobicContact CB-CD1 3.68Å; L82-L88 HydrophobicContact CB-CG 3.71Å; L82-L88 HydrophobicContact CD1-CD1 4Å; L82-L88 HydrophobicContact CD1-CG 4.31Å; L82-L88 PolarHBondContact O-N 3.31Å; R83-L88 HydrophobicContact CG-CB 3.77Å; G86-L88 VanDerWaalsContact C-N 3.32Å; L88-R90 PolarHBondContact O-N 3.44Å; L88-V123 HydrophobicContact CD1-CB 4.5Å; L88-V123 HydrophobicContact CD1-CG2 4.5Å; L88-T127 HydrophobicContact CD2-CG2 4.04Å; L88-F129 HydrophobicContact CD2-CD2 4.18Å; L88-L138 HydrophobicContact CD1-CD1 3.93Å
89H91Very high92.5Very high60 Ų6058.7 Ų58.728%0.27831%0.306SS..  trans-53.9124.8176.2-64.292.5000110.9R83 R92 W110 S125 T127R83-H89 PolarHBondContact NE-O 3.02Å; H89-R92 HydrophobicContact CB-CB 4.21Å; H89-W110 HydrophobicContact CB-CZ2 4.22Å; H89-W110 WeakPolarHBondContact O-CZ2 3.19Å; H89-S125 PolarHBondContact CE1-O 2.72Å; H89-T127 VanDerWaalsContact CE1-CG2 3.47Å; H89-T127 WeakPolarHBondContact CE1-CG2 3.26Å; H89-T127 WeakPolarHBondContact ND1-CG2 3.44Å
90R90.6Very high92.6Very high154 Ų15460.3 Ų60.358%0.58132%0.324SS*.SBendtrans-74.4-43.6169-69.8-175.2-178.1177.51.4110.5R83 I84 L88 W110R83-R90 PolarHBondContact NH2-O 3.47Å; R83-R90 VanDerWaalsContact O-CG 3.32Å; R83-R90 WeakPolarHBondContact O-CG 3.41Å; R83-R90 PolarHBondContact O-NE 3.46Å; I84-R90 PolarHBondContact O-NH2 3.4Å; L88-R90 PolarHBondContact O-N 3.44Å; R90-W110 WeakPolarHBondContact O-CH2 3.15Å
91E89.9Confident92.7Very high172 Ų17256.3 Ų56.380%0.80430%0.303SS*.SBendtrans-131.4153172.5-68.7172.4-163.800108.2
92R90.8Very high92.6Very high26 Ų2660.7 Ų60.710%0.09832%0.323CS..EExtended strand (participates in β ladder)trans-144133.9-177.4-172.7169.5177.1-155.8-3.2112.3H89 M101 W110 S122H89-R92 HydrophobicContact CB-CB 4.21Å; R92-M101 HydrophobicContact CG-SD 4.3Å; R92-M101 WeakPolarHBondContact O-CB 3.47Å; R92-M101 PolarHBondContact O-N 3.03Å; R92-W110 HydrophobicContact CB-CD2 3.86Å; R92-W110 HydrophobicContact CB-CE3 4.02Å; R92-W110 HydrophobicContact CB-CG 4.36Å; R92-W110 HydrophobicContact CB-CH2 4.41Å; R92-W110 HydrophobicContact CB-CZ2 4.26Å; R92-W110 HydrophobicContact CB-CZ3 4.28Å; R92-S122 PolarHBondContact NH1-O 3.29Å
93M93.6Very high92.6Very high120 Ų12063 Ų6359%0.59134%0.335SS*.EExtended strand (participates in β ladder)trans-88.7142.2169.6-59-58-88.200110.4P95 G98M93-P95 WeakPolarHBondContact O-CD 3.44Å; M93-G98 WeakPolarHBondContact CE-O 3.36Å
94C94.1Very high92.4Very high2 Ų260.6 Ų60.61%0.01433%0.328CS..  trans-68121.2176.6-177.20000109.3C96 C97 G98 Q99 M101 C112C94-C96 PolarHBondContact O-N 3.48Å; C94-C97 PolarHBondContact O-N 2.83Å; C94-G98 WeakPolarHBondContact O-CA 3.18Å; C94-G98 PolarHBondContact O-N 2.89Å; C94-Q99 WeakPolarHBondContact CB-O 3.35Å; C94-Q99 PolarHBondContact N-O 3.35Å; C94-M101 HydrophobicContact CB-CG 3.82Å; C94-M101 HydrophobicContact CB-SD 4.04Å; C94-C112 HydrophobicContact CB-CB 4.11Å
95P92.2Very high92Very high86 Ų8662.6 Ų62.656%0.55835%0.347SS*.THydrogen-bonded Turntrans-65.9-14.1-179.127.7-35.9000113M93 F121M93-P95 WeakPolarHBondContact O-CD 3.44Å; P95-F121 HydrophobicContact CG-CE1 3.73Å; P95-F121 HydrophobicContact CG-CE2 3.79Å; P95-F121 HydrophobicContact CG-CZ 3.29Å
96C93.2Very high91.6Very high63 Ų6362.2 Ų62.243%0.42636%0.36SS..THydrogen-bonded Turntrans-99-19.3-176.7-56.10000114.3C94 K119C94-C96 PolarHBondContact O-N 3.48Å; C96-K119 HydrophobicContact CB-CD 3.81Å; C96-K119 WeakPolarHBondContact SG-CD 3.49Å; C96-K119 PolarHBondContact SG-NZ 2.99Å
97C94.5Very high91.3Very high33 Ų3361.5 Ų61.522%0.22335%0.353CS..THydrogen-bonded Turntrans-143.80.9-177.169.60000114.8C94 Q99 C112 K114 C117C94-C97 PolarHBondContact O-N 2.83Å; C97-Q99 PolarHBondContact O-N 3.2Å; C97-C112 PolarHBondContact SG-SG 3.3Å; C97-K114 HydrophobicContact CB-CD 3.81Å; C97-C117 HydrophobicContact CB-CB 4.3Å
98G93.4Very high91.1Very high43 Ų4363.8 Ų63.844%0.44336%0.364SS..  trans66.215.6178.500000114.7M93 C94M93-G98 WeakPolarHBondContact CE-O 3.36Å; C94-G98 WeakPolarHBondContact O-CA 3.18Å; C94-G98 PolarHBondContact O-N 2.89Å
99Q92.5Very high91.1Very high99 Ų9966.1 Ų66.146%0.46338%0.378SS..PPolyproline II helixtrans-89.7147.4176.5-68.6-64-55.100111.5C94 C97 M101 K114C94-Q99 WeakPolarHBondContact CB-O 3.35Å; C94-Q99 PolarHBondContact N-O 3.35Å; C97-Q99 PolarHBondContact O-N 3.2Å; Q99-M101 PolarHBondContact O-N 3.18Å; Q99-K114 HydrophobicContact CG-CB 4.25Å; Q99-K114 HydrophobicContact CG-CD 3.98Å; Q99-K114 HydrophobicContact CG-CG 4.49Å
100G93.8Very high91.2Very high39 Ų3963.6 Ų63.640%0.40237%0.366SS..EExtended strand (participates in β ladder)trans-54.3131.3169.400000110.8
101M95.1Very high91.4Very high12 Ų1260.7 Ų60.76%0.05936%0.355CS..EExtended strand (participates in β ladder)trans-96.6145.2174.9-61.3-172.373.600109.6R92 C94 Q99 W110 C112 F121R92-M101 HydrophobicContact CG-SD 4.3Å; R92-M101 WeakPolarHBondContact O-CB 3.47Å; R92-M101 PolarHBondContact O-N 3.03Å; C94-M101 HydrophobicContact CB-CG 3.82Å; C94-M101 HydrophobicContact CB-SD 4.04Å; Q99-M101 PolarHBondContact O-N 3.18Å; M101-W110 HydrophobicContact CB-CB 4.22Å; M101-W110 HydrophobicContact CB-CE3 3.8Å; M101-W110 HydrophobicContact CE-CB 3.52Å; M101-W110 VanDerWaalsContact CE-O 3.23Å; M101-W110 WeakPolarHBondContact CE-O 3.49Å; M101-W110 WeakPolarHBondContact O-CZ3 3.47Å; M101-W110 HydrophobicContact SD-CB 3.96Å; M101-C112 HydrophobicContact CE-CB 4.1Å; M101-C112 HydrophobicContact CG-CB 4.35Å; M101-F121 HydrophobicContact CE-CD2 3.54Å; M101-F121 HydrophobicContact CE-CE2 4.25Å; M101-F121 HydrophobicContact SD-CD2 3.98Å; M101-F121 HydrophobicContact SD-CE2 4.49Å
102H93.1Very high91.7Very high112 Ų11252.6 Ų52.652%0.51932%0.317SS..EExtended strand (participates in β ladder)trans-100146.7170.5-57.1-111.2000110R111 Y113H102-R111 PolarHBondContact N-O 3.01Å; H102-R111 PolarHBondContact O-N 3.42Å; H102-Y113 HydrophobicContact CB-CD2 4.16Å; H102-Y113 HydrophobicContact CB-CE2 3.7Å; H102-Y113 AromaticContact CD2-CD2 3.6Å
103L92.3Very high91.7Very high49 Ų4957.2 Ų57.226%0.25734%0.335SS..EExtended strand (participates in β ladder)trans-78.2123.4173.5-166.762.6000108.7W110 V123L103-W110 HydrophobicContact CB-CE3 4.3Å; L103-W110 HydrophobicContact CB-CH2 4.27Å; L103-W110 HydrophobicContact CB-CZ3 4.06Å; L103-W110 HydrophobicContact CD1-CD2 4.05Å; L103-W110 HydrophobicContact CD1-CE3 4.42Å; L103-W110 HydrophobicContact CD1-CG 4.42Å; L103-W110 HydrophobicContact CD1-CZ2 4.19Å; L103-V123 HydrophobicContact CD1-CG1 3.58Å
104A89.8Confident91.7Very high10 Ų1056 Ų568%0.08333%0.327CS..PPolyproline II helixtrans-66.9157.6179.300000111.2G106 G107 V109A104-G106 PolarHBondContact O-N 3.02Å; A104-G107 PolarHBondContact O-N 3.47Å; A104-V109 HydrophobicContact CB-CB 4.31Å; A104-V109 VanDerWaalsContact CB-O 3.31Å; A104-V109 WeakPolarHBondContact CB-O 3.3Å; A104-V109 PolarHBondContact N-O 3.08Å
105P83Confident91.7Very high132 Ų13266.2 Ų66.286%0.85737%0.365SS*.THydrogen-bonded Turntrans-49.7133.9169.6-26.234.8000110.9
106G83.7Confident91.8Very high50 Ų5067.1 Ų67.152%0.51537%0.373SS..THydrogen-bonded Turntrans90.4-4-172.300000114.8N76 A104 M108N76-G106 PolarHBondContact OD1-O 3.17Å; N76-G106 VanDerWaalsContact OD1-O 3.13Å; A104-G106 PolarHBondContact O-N 3.02Å; G106-M108 WeakPolarHBondContact O-CG 3.35Å; G106-M108 PolarHBondContact O-N 3.13Å
107G85.9Confident91.8Very high15 Ų1565.2 Ų65.216%0.15536%0.36CS..SBendtrans72.25.2164.400000116.3A104 V123A104-G107 PolarHBondContact O-N 3.47Å; G107-V123 WeakPolarHBondContact O-CG1 3.32Å
108M88.2Confident91.7Very high59 Ų5972.3 Ų72.329%0.29138%0.382SS..SBendtrans-101.7-16.9-173-62.6-57.7158.100114.8E75 N76 V79 G106 V123E75-M108 HydrophobicContact CB-CE 4.03Å; E75-M108 HydrophobicContact CG-CE 3.37Å; E75-M108 HydrophobicContact CG-SD 4.22Å; N76-M108 WeakPolarHBondContact OD1-CE 3.38Å; V79-M108 HydrophobicContact CG2-CE 3.61Å; V79-M108 HydrophobicContact CG2-SD 3.61Å; G106-M108 WeakPolarHBondContact O-CG 3.35Å; G106-M108 PolarHBondContact O-N 3.13Å; M108-V123 PolarHBondContact O-N 3.49Å; M108-V123 HydrophobicContact SD-CG2 4.43Å
109V92Very high91.8Very high52 Ų5275.2 Ų75.232%0.31538%0.383SS..EExtended strand (participates in β ladder)trans-133.2124.3-170.5-179.50000110.8A104 K120 F121A104-V109 HydrophobicContact CB-CB 4.31Å; A104-V109 VanDerWaalsContact CB-O 3.31Å; A104-V109 WeakPolarHBondContact CB-O 3.3Å; A104-V109 PolarHBondContact N-O 3.08Å; V109-K120 HydrophobicContact CG1-CB 3.91Å; V109-K120 HydrophobicContact CG1-CG 4.33Å; V109-F121 CarbonylContact C-O 3.56Å; V109-F121 WeakPolarHBondContact CA-O 3.26Å
110W93.2Very high91.8Very high8 Ų876.9 Ų76.93%0.0339%0.389CS..EExtended strand (participates in β ladder)trans-78.6130.3165-68.4100000109.8H89 R90 R92 M101 L103 K120 F121H89-W110 HydrophobicContact CB-CZ2 4.22Å; H89-W110 WeakPolarHBondContact O-CZ2 3.19Å; R90-W110 WeakPolarHBondContact O-CH2 3.15Å; R92-W110 HydrophobicContact CB-CD2 3.86Å; R92-W110 HydrophobicContact CB-CE3 4.02Å; R92-W110 HydrophobicContact CB-CG 4.36Å; R92-W110 HydrophobicContact CB-CH2 4.41Å; R92-W110 HydrophobicContact CB-CZ2 4.26Å; R92-W110 HydrophobicContact CB-CZ3 4.28Å; M101-W110 HydrophobicContact CB-CB 4.22Å; M101-W110 HydrophobicContact CB-CE3 3.8Å; M101-W110 HydrophobicContact CE-CB 3.52Å; M101-W110 VanDerWaalsContact CE-O 3.23Å; M101-W110 WeakPolarHBondContact CE-O 3.49Å; M101-W110 WeakPolarHBondContact O-CZ3 3.47Å; M101-W110 HydrophobicContact SD-CB 3.96Å; L103-W110 HydrophobicContact CB-CE3 4.3Å; L103-W110 HydrophobicContact CB-CH2 4.27Å; L103-W110 HydrophobicContact CB-CZ3 4.06Å; L103-W110 HydrophobicContact CD1-CD2 4.05Å; L103-W110 HydrophobicContact CD1-CE3 4.42Å; L103-W110 HydrophobicContact CD1-CG 4.42Å; L103-W110 HydrophobicContact CD1-CZ2 4.19Å; W110-K120 CarbonylContact O-C 3.4Å; W110-K120 VanDerWaalsContact O-CA 3.31Å; W110-K120 WeakPolarHBondContact O-CA 3.33Å; W110-F121 HydrophobicContact CB-CB 4.5Å; W110-F121 PolarHBondContact N-O 2.85Å; W110-F121 PolarHBondContact O-N 3.3Å
111R95Very high91.7Very high93 Ų9377.3 Ų77.335%0.35138%0.379SS..EExtended strand (participates in β ladder)trans-120.9128176.9-174.6179.8-64-173.21.2110.6H102 Y113 K120H102-R111 PolarHBondContact N-O 3.01Å; H102-R111 PolarHBondContact O-N 3.42Å; R111-Y113 HydrophobicContact CB-CD2 4.47Å; R111-Y113 HydrophobicContact CB-CE2 3.88Å; R111-Y113 HydrophobicContact CG-CD2 4.31Å; R111-Y113 HydrophobicContact CG-CE2 3.93Å; R111-Y113 WeakPolarHBondContact O-CD2 3.37Å; R111-K120 HydrophobicContact CG-CG 4.47Å
112C95.6Very high91.5Very high1 Ų179 Ų791%0.00739%0.392CS..EExtended strand (participates in β ladder)trans-83.1126.2169.5178.20000109.2C94 C97 M101 R118 K119C94-C112 HydrophobicContact CB-CB 4.11Å; C97-C112 PolarHBondContact SG-SG 3.3Å; M101-C112 HydrophobicContact CE-CB 4.1Å; M101-C112 HydrophobicContact CG-CB 4.35Å; C112-R118 VanDerWaalsContact O-CA 3.29Å; C112-R118 WeakPolarHBondContact O-CA 3.29Å; C112-K119 PolarHBondContact N-O 3.14Å
113Y92.3Very high91.4Very high123 Ų12373.8 Ų73.848%0.48237%0.369SS..  trans-94.5-7-178.1-77.2-97.7000114H102 R111 R115H102-Y113 HydrophobicContact CB-CD2 4.16Å; H102-Y113 HydrophobicContact CB-CE2 3.7Å; H102-Y113 AromaticContact CD2-CD2 3.6Å; R111-Y113 HydrophobicContact CB-CD2 4.47Å; R111-Y113 HydrophobicContact CB-CE2 3.88Å; R111-Y113 HydrophobicContact CG-CD2 4.31Å; R111-Y113 HydrophobicContact CG-CE2 3.93Å; R111-Y113 WeakPolarHBondContact O-CD2 3.37Å; Y113-R115 PolarHBondContact O-N 2.98Å; Y113-R115 VanDerWaalsContact O-N 3.07Å
114K92.9Very high91.4Very high94 Ų9473.5 Ų73.541%0.40936%0.364SS..  trans-53.3119.8170.8-169.2-179.4-170.9172.80109.2C97 Q99 S116 C117 R118C97-K114 HydrophobicContact CB-CD 3.81Å; Q99-K114 HydrophobicContact CG-CB 4.25Å; Q99-K114 HydrophobicContact CG-CD 3.98Å; Q99-K114 HydrophobicContact CG-CG 4.49Å; K114-S116 WeakPolarHBondContact CE-OG 3.18Å; K114-S116 PolarHBondContact O-N 3.33Å; K114-S116 VanDerWaalsContact O-N 3.12Å; K114-C117 HydrophobicContact CB-CB 4.1Å; K114-C117 PolarHBondContact O-N 3.3Å; K114-R118 PolarHBondContact O-N 2.95Å
115R93.5Very high91.3Very high218 Ų21874.6 Ų74.682%0.82337%0.371SS*.THydrogen-bonded Turntrans-52.7-36.9-173.2-70.7-174.7-178.4175.91.1113Y113 R118Y113-R115 PolarHBondContact O-N 2.98Å; Y113-R115 VanDerWaalsContact O-N 3.07Å; R115-R118 PolarHBondContact O-NE 3.35Å; R115-R118 PolarHBondContact O-NH2 3.43Å
116S94Very high91.4Very high104 Ų10471.8 Ų71.873%0.72737%0.366SS*.THydrogen-bonded Turntrans-79.2-17.5178.359.40000114.7K114K114-S116 WeakPolarHBondContact CE-OG 3.18Å; K114-S116 PolarHBondContact O-N 3.33Å; K114-S116 VanDerWaalsContact O-N 3.12Å
117C94.8Very high91.7Very high23 Ų2370.4 Ų70.416%0.15535%0.347CS..THydrogen-bonded Turntrans-101.6-60-177.6-172.20000112.3C97 K114 K119C97-C117 HydrophobicContact CB-CB 4.3Å; K114-C117 HydrophobicContact CB-CB 4.1Å; K114-C117 PolarHBondContact O-N 3.3Å; C117-K119 PolarHBondContact O-N 3.3Å
118R92.6Very high91.7Very high182 Ų18271.3 Ų71.369%0.68735%0.346SS*.  trans47.714.8-178.3-68.4-171-110-176.3-1.7116.9C112 K114 R115C112-R118 VanDerWaalsContact O-CA 3.29Å; C112-R118 WeakPolarHBondContact O-CA 3.29Å; K114-R118 PolarHBondContact O-N 2.95Å; R115-R118 PolarHBondContact O-NE 3.35Å; R115-R118 PolarHBondContact O-NH2 3.43Å
119K93.6Very high91.7Very high105 Ų10569 Ų6946%0.45733%0.334SS..  trans-67.9145.4-177.5-72.2-177.5-178.7-173.90111.4C96 C112 C117 F121C96-K119 HydrophobicContact CB-CD 3.81Å; C96-K119 WeakPolarHBondContact SG-CD 3.49Å; C96-K119 PolarHBondContact SG-NZ 2.99Å; C112-K119 PolarHBondContact N-O 3.14Å; C117-K119 PolarHBondContact O-N 3.3Å; K119-F121 HydrophobicContact CB-CD2 4.5Å; K119-F121 HydrophobicContact CB-CE2 3.76Å; K119-F121 HydrophobicContact CB-CZ 4.33Å; K119-F121 HydrophobicContact CD-CZ 4.43Å
120K93.3Very high91.1Very high134 Ų13468.2 Ų68.258%0.58334%0.338SS*.EExtended strand (participates in β ladder)trans-113.8142176.9-62.4176.6-172.6172.20109V109 W110 R111V109-K120 HydrophobicContact CG1-CB 3.91Å; V109-K120 HydrophobicContact CG1-CG 4.33Å; W110-K120 CarbonylContact O-C 3.4Å; W110-K120 VanDerWaalsContact O-CA 3.31Å; W110-K120 WeakPolarHBondContact O-CA 3.33Å; R111-K120 HydrophobicContact CG-CG 4.47Å
121F91.2Very high90Very high47 Ų4771.5 Ų71.521%0.20636%0.358CS..EExtended strand (participates in β ladder)trans-137.9146.2174.6-64.5-92.9000109.4P95 M101 V109 W110 K119P95-F121 HydrophobicContact CG-CE1 3.73Å; P95-F121 HydrophobicContact CG-CE2 3.79Å; P95-F121 HydrophobicContact CG-CZ 3.29Å; M101-F121 HydrophobicContact CE-CD2 3.54Å; M101-F121 HydrophobicContact CE-CE2 4.25Å; M101-F121 HydrophobicContact SD-CD2 3.98Å; M101-F121 HydrophobicContact SD-CE2 4.49Å; V109-F121 CarbonylContact C-O 3.56Å; V109-F121 WeakPolarHBondContact CA-O 3.26Å; W110-F121 HydrophobicContact CB-CB 4.5Å; W110-F121 PolarHBondContact N-O 2.85Å; W110-F121 PolarHBondContact O-N 3.3Å; K119-F121 HydrophobicContact CB-CD2 4.5Å; K119-F121 HydrophobicContact CB-CE2 3.76Å; K119-F121 HydrophobicContact CB-CZ 4.33Å; K119-F121 HydrophobicContact CD-CZ 4.43Å
122S90.9Very high88.3Confident47 Ų4773.1 Ų73.133%0.32938%0.381SS..EExtended strand (participates in β ladder)trans-66.315717474.70000110.9R92 R124 S125R92-S122 PolarHBondContact NH1-O 3.29Å; S122-R124 PolarHBondContact O-N 3.31Å; S122-R124 PolarHBondContact OG-N 3.45Å; S122-S125 PolarHBondContact N-OG 3.22Å; S122-S125 WeakPolarHBondContact O-CB 3.01Å; S122-S125 PolarHBondContact O-N 2.96Å; S122-S125 VanDerWaalsContact O-N 3.12Å; S122-S125 PolarHBondContact O-OG 3.05Å; S122-S125 PolarHBondContact OG-N 2.97Å; S122-S125 PolarHBondContact OG-OG 3.35Å
123V91.4Very high86.7Confident4 Ų474.9 Ų74.92%0.02439%0.387CS..THydrogen-bonded Turntrans-57.1-28.4169-76.90000113.2V79 L88 L103 G107 M108 L138V79-V123 HydrophobicContact CG2-CG2 4.39Å; L88-V123 HydrophobicContact CD1-CB 4.5Å; L88-V123 HydrophobicContact CD1-CG2 4.5Å; L103-V123 HydrophobicContact CD1-CG1 3.58Å; G107-V123 WeakPolarHBondContact O-CG1 3.32Å; M108-V123 PolarHBondContact O-N 3.49Å; M108-V123 HydrophobicContact SD-CG2 4.43Å; V123-L138 HydrophobicContact CG2-CD1 4.21Å
124R91.5Very high85.2Confident43 Ų4371.9 Ų71.916%0.16238%0.378CS..THydrogen-bonded Turntrans-74.6-26.9179.7-52.8-176.8-174.6-161.6-1.4112.5E75 S122 G126 T127 F129 G130 L136 L138E75-R124 IonicContact OE1-NH2 2.76Å; S122-R124 PolarHBondContact O-N 3.31Å; S122-R124 PolarHBondContact OG-N 3.45Å; R124-G126 PolarHBondContact O-N 2.99Å; R124-T127 WeakPolarHBondContact O-CB 3.48Å; R124-T127 PolarHBondContact O-N 2.67Å; R124-T127 PolarHBondContact O-OG1 2.65Å; R124-F129 HydrophobicContact CB-CB 4.26Å; R124-F129 HydrophobicContact CG-CB 4.3Å; R124-G130 WeakPolarHBondContact O-CA 3.06Å; R124-G130 PolarHBondContact O-N 2.84Å; R124-L136 PolarHBondContact NH1-O 3.22Å; R124-L136 PolarHBondContact NH2-O 3.4Å; R124-L138 HydrophobicContact CG-CD2 4.27Å
125S88.8Confident84.4Confident32 Ų3278.8 Ų78.822%0.22440%0.401CS..THydrogen-bonded Turntrans-59.7129.5-172.7-62.40000111.2H89 S122 T127H89-S125 PolarHBondContact CE1-O 2.72Å; S122-S125 PolarHBondContact N-OG 3.22Å; S122-S125 WeakPolarHBondContact O-CB 3.01Å; S122-S125 PolarHBondContact O-N 2.96Å; S122-S125 VanDerWaalsContact O-N 3.12Å; S122-S125 PolarHBondContact O-OG 3.05Å; S122-S125 PolarHBondContact OG-N 2.97Å; S122-S125 PolarHBondContact OG-OG 3.35Å; S125-T127 VanDerWaalsContact C-N 3.33Å
126G85Confident84.1Confident73 Ų7369.3 Ų69.375%0.75337%0.367SS*.THydrogen-bonded Turntrans78.313.4-176.100000114.5R124R124-G126 PolarHBondContact O-N 2.99Å
127T89.2Confident83.9Confident21 Ų2167.2 Ų67.213%0.12935%0.35CS..SBendtrans-122.8169.6176.374.70000110.3L88 H89 R124 S125 F129 G130L88-T127 HydrophobicContact CD2-CG2 4.04Å; H89-T127 VanDerWaalsContact CE1-CG2 3.47Å; H89-T127 WeakPolarHBondContact CE1-CG2 3.26Å; H89-T127 WeakPolarHBondContact ND1-CG2 3.44Å; R124-T127 WeakPolarHBondContact O-CB 3.48Å; R124-T127 PolarHBondContact O-N 2.67Å; R124-T127 PolarHBondContact O-OG1 2.65Å; S125-T127 VanDerWaalsContact C-N 3.33Å; T127-F129 PolarHBondContact O-N 3.2Å; T127-F129 VanDerWaalsContact O-N 3.11Å; T127-F129 PolarHBondContact OG1-N 3.34Å; T127-G130 PolarHBondContact O-N 2.89Å
128W87Confident83.7Confident35 Ų3566.1 Ų66.113%0.13334%0.343CS..THydrogen-bonded Turntrans-55.8-28.4174.9-174.890.5000113.3G130 R133 W172 L176 L179 I220W128-G130 VanDerWaalsContact C-N 3.34Å; W128-R133 WeakPolarHBondContact O-CD 3.1Å; W128-R133 PolarHBondContact O-NE 3.28Å; W128-W172 HydrophobicContact CH2-CE3 4.19Å; W128-W172 HydrophobicContact CH2-CH2 4.33Å; W128-W172 AromaticContact CH2-CZ3 3.67Å; W128-W172 HydrophobicContact CH2-CZ3 3.67Å; W128-W172 HydrophobicContact CZ3-CE3 4.44Å; W128-W172 AromaticContact CZ3-CH2 3.85Å; W128-W172 HydrophobicContact CZ3-CH2 3.85Å; W128-W172 AromaticContact CZ3-CZ3 3.49Å; W128-W172 HydrophobicContact CZ3-CZ3 3.49Å; W128-W172 VanDerWaalsContact CZ3-CZ3 3.49Å; W128-L176 HydrophobicContact CH2-CD2 4.38Å; W128-L179 HydrophobicContact CH2-CD1 4.29Å; W128-L179 HydrophobicContact CZ2-CD1 3.45Å; W128-L179 VanDerWaalsContact CZ2-CD1 3.45Å; W128-L179 HydrophobicContact CZ2-CG 4.42Å; W128-I220 HydrophobicContact CB-CG2 3.67Å; W128-I220 HydrophobicContact CD2-CG2 3.72Å; W128-I220 HydrophobicContact CE3-CG2 3.87Å; W128-I220 HydrophobicContact CG-CG2 3.64Å; W128-I220 HydrophobicContact CZ3-CD1 4.41Å
129F88.5Confident83.8Confident9 Ų961.2 Ų61.24%0.03933%0.325CS..THydrogen-bonded Turntrans-79.4-10.1176.3-63.6-83.4000114.3L82 L87 L88 R124 T127 L138 A141 I145 W172L82-F129 HydrophobicContact CD1-CE2 4.23Å; L82-F129 HydrophobicContact CD1-CZ 4.17Å; L82-F129 HydrophobicContact CD2-CE2 3.99Å; L82-F129 HydrophobicContact CD2-CZ 3.86Å; L87-F129 HydrophobicContact CB-CE2 4.09Å; L88-F129 HydrophobicContact CD2-CD2 4.18Å; R124-F129 HydrophobicContact CB-CB 4.26Å; R124-F129 HydrophobicContact CG-CB 4.3Å; T127-F129 PolarHBondContact O-N 3.2Å; T127-F129 VanDerWaalsContact O-N 3.11Å; T127-F129 PolarHBondContact OG1-N 3.34Å; F129-L138 HydrophobicContact CB-CD2 4.1Å; F129-L138 HydrophobicContact CD1-CD2 3.82Å; F129-L138 HydrophobicContact CE1-CD2 4.46Å; F129-L138 HydrophobicContact CG-CD2 3.96Å; F129-A141 HydrophobicContact CD1-CB 4.29Å; F129-A141 HydrophobicContact CE1-CB 3.9Å; F129-I145 HydrophobicContact CE1-CD1 4.14Å; F129-I145 HydrophobicContact CZ-CD1 3.99Å; F129-W172 AromaticContact CD1-CH2 3.93Å; F129-W172 HydrophobicContact CD1-CH2 3.93Å; F129-W172 AromaticContact CE1-CH2 3.95Å; F129-W172 HydrophobicContact CE1-CH2 3.95Å; F129-W172 HydrophobicContact CE1-CZ3 4.34Å
130G79.3Confident83.7Confident37 Ų3759 Ų5938%0.38132%0.315SS..THydrogen-bonded Turntrans-98.4-11.6-174.900000115.7R124 T127 W128R124-G130 WeakPolarHBondContact O-CA 3.06Å; R124-G130 PolarHBondContact O-N 2.84Å; T127-G130 PolarHBondContact O-N 2.89Å; W128-G130 VanDerWaalsContact C-N 3.34Å
131V70.4Confident83.6Confident76 Ų7652.7 Ų52.746%0.46129%0.288SS..SBendtrans-59.8159.2170.2-175.50000108.5R133V131-R133 HydrophobicContact CB-CG 4.27Å; V131-R133 PolarHBondContact O-N 3.23Å
132P58Low83.7Confident127 Ų12750.5 Ų50.583%0.82528%0.278SS*.SBendtrans-61.931.3177.8-21.932.9000116.1
133R62.5Low83.7Confident38 Ų3849 Ų4914%0.14327%0.266CS..SBendtrans-58.3135156.7-52.2-177.9-168.2-73.7-2.4106.1W128 V131 R135 Y175W128-R133 WeakPolarHBondContact O-CD 3.1Å; W128-R133 PolarHBondContact O-NE 3.28Å; V131-R133 HydrophobicContact CB-CG 4.27Å; V131-R133 PolarHBondContact O-N 3.23Å; R133-R135 PolarHBondContact O-N 2.92Å; R133-Y175 HydrophobicContact CB-CE2 4.28Å; R133-Y175 HydrophobicContact CG-CD2 4.34Å; R133-Y175 HydrophobicContact CG-CE2 3.83Å; R133-Y175 VanDerWaalsContact NH1-CE1 3.26Å; R133-Y175 VanDerWaalsContact NH1-CE2 3.34Å
134E60.5Low83.7Confident60 Ų6048.8 Ų48.828%0.2827%0.265SS..  trans-38.7141.5175.2-97.4153.4147.700111L136 A168 R171E134-L136 PolarHBondContact O-N 3.47Å; E134-A168 WeakPolarHBondContact OE2-CA 3.35Å; E134-A168 VanDerWaalsContact OE2-CB 3.31Å; E134-A168 WeakPolarHBondContact OE2-CB 3.29Å; E134-R171 IonicContact OE1-NH1 2.65Å; E134-R171 PolarHBondContact OE1-NH1 3.46Å; E134-R171 VanDerWaalsContact OE2-CD 3.3Å; E134-R171 WeakPolarHBondContact OE2-CD 3.42Å; E134-R171 IonicContact OE2-CZ 3.91Å; E134-R171 IonicContact OE2-NH1 2.68Å; E134-R171 PolarHBondContact OE2-NH1 3.42Å
135R75.5Confident83.7Confident240 Ų24046.7 Ų46.791%0.90626%0.257SS*.  trans-69.753.4177.5-65.7-177179.7175.31.8111.1R133R133-R135 PolarHBondContact O-N 2.92Å
136L86.9Confident83.8Confident18 Ų1845.7 Ų45.79%0.09425%0.248CC..  trans-65.9136.3172.5-171.174.1000108.1R124 E134 L138 K140 A141 I144 I164 W172R124-L136 PolarHBondContact NH1-O 3.22Å; R124-L136 PolarHBondContact NH2-O 3.4Å; E134-L136 PolarHBondContact O-N 3.47Å; L136-L138 PolarHBondContact O-N 2.74Å; L136-K140 HydrophobicContact CD1-CB 3.93Å; L136-K140 HydrophobicContact CD2-CB 3.78Å; L136-K140 HydrophobicContact CG-CB 3.7Å; L136-A141 HydrophobicContact CD2-CB 4.3Å; L136-I144 HydrophobicContact CD2-CD1 3.53Å; L136-I164 HydrophobicContact CD1-CD1 4.04Å; L136-I164 HydrophobicContact CD1-CG1 4.07Å; L136-I164 HydrophobicContact CD1-CG2 4.01Å; L136-I164 HydrophobicContact CD2-CD1 4.1Å; L136-W172 HydrophobicContact CB-CZ2 4.21Å; L136-W172 HydrophobicContact CD2-CD2 4.24Å; L136-W172 HydrophobicContact CD2-CG 4.47Å; L136-W172 HydrophobicContact CD2-CZ2 4.05Å
137P90.3Very high83.9Confident60 Ų6042.8 Ų42.839%0.3922%0.215SC..  trans-50.3138170.7-26.535.1000111.2E75 R139 K140 A141E75-P137 WeakPolarHBondContact OE1-CA 3.47Å; E75-P137 WeakPolarHBondContact OE2-CB 3.44Å; P137-R139 PolarHBondContact O-N 2.67Å; P137-K140 HydrophobicContact CB-CB 4.36Å; P137-K140 HydrophobicContact CB-CG 4.13Å; P137-K140 HydrophobicContact CG-CG 4.26Å; P137-K140 WeakPolarHBondContact O-CB 3.46Å; P137-K140 PolarHBondContact O-N 3.37Å; P137-A141 PolarHBondContact O-N 3Å
138L92Very high83.9Confident1 Ų141.9 Ų41.91%0.00521%0.209CC..Hα-helixtrans-57.9-35.5178.6-71.1172000111E75 A78 V79 L82 L88 V123 R124 F129 L136 K140 A141 V142E75-L138 VanDerWaalsContact CD-N 3.26Å; E75-L138 WeakPolarHBondContact OE1-CB 3.34Å; E75-L138 PolarHBondContact OE1-N 3.21Å; E75-L138 PolarHBondContact OE2-N 2.68Å; A78-L138 HydrophobicContact CB-CB 4.05Å; V79-L138 HydrophobicContact CG2-CD1 3.49Å; V79-L138 VanDerWaalsContact CG2-CD1 3.49Å; L82-L138 HydrophobicContact CD1-CB 4.1Å; L82-L138 HydrophobicContact CD1-CD1 4.35Å; L82-L138 HydrophobicContact CD1-CD2 3.81Å; L82-L138 HydrophobicContact CD1-CG 4.3Å; L88-L138 HydrophobicContact CD1-CD1 3.93Å; V123-L138 HydrophobicContact CG2-CD1 4.21Å; R124-L138 HydrophobicContact CG-CD2 4.27Å; F129-L138 HydrophobicContact CB-CD2 4.1Å; F129-L138 HydrophobicContact CD1-CD2 3.82Å; F129-L138 HydrophobicContact CE1-CD2 4.46Å; F129-L138 HydrophobicContact CG-CD2 3.96Å; L136-L138 PolarHBondContact O-N 2.74Å; L138-K140 PolarHBondContact O-N 3.4Å; L138-A141 WeakPolarHBondContact O-CB 3.2Å; L138-A141 PolarHBondContact O-N 3.02Å; L138-V142 WeakPolarHBondContact O-CG2 3.16Å; L138-V142 PolarHBondContact O-N 2.75Å
139R93Very high83.9Confident78 Ų7840.2 Ų40.229%0.29420%0.203SC..Hα-helixtrans-55.6-51172.2178.9173-177.4-150.1-0.9111.2V72 P73 E75 A78 P137 A141 V142 Q143V72-R139 HydrophobicContact CG1-CB 4.41Å; V72-R139 HydrophobicContact CG1-CG 4.07Å; V72-R139 PolarHBondContact O-NE 2.85Å; V72-R139 VanDerWaalsContact O-NE 3.13Å; P73-R139 PolarHBondContact O-NE 3.48Å; P73-R139 PolarHBondContact O-NH1 3.07Å; P73-R139 PolarHBondContact O-NH2 2.85Å; P73-R139 VanDerWaalsContact O-NH2 3.08Å; E75-R139 WeakPolarHBondContact OE2-CB 3.25Å; E75-R139 PolarHBondContact OE2-N 2.87Å; A78-R139 HydrophobicContact CB-CB 4.04Å; P137-R139 PolarHBondContact O-N 2.67Å; R139-A141 VanDerWaalsContact C-N 3.31Å; R139-A141 PolarHBondContact O-N 2.8Å; R139-V142 PolarHBondContact O-N 2.87Å; R139-Q143 WeakPolarHBondContact O-CG 3.41Å; R139-Q143 PolarHBondContact O-N 3.23Å
140K91.4Very high83.6Confident60 Ų6043 Ų4326%0.26122%0.216SC..Hα-helixtrans-64.2-37.2178.6-67.1-71.3172.5-170.60111.8L136 P137 L138 Q143 I144 L162 I164L136-K140 HydrophobicContact CD1-CB 3.93Å; L136-K140 HydrophobicContact CD2-CB 3.78Å; L136-K140 HydrophobicContact CG-CB 3.7Å; P137-K140 HydrophobicContact CB-CB 4.36Å; P137-K140 HydrophobicContact CB-CG 4.13Å; P137-K140 HydrophobicContact CG-CG 4.26Å; P137-K140 WeakPolarHBondContact O-CB 3.46Å; P137-K140 PolarHBondContact O-N 3.37Å; L138-K140 PolarHBondContact O-N 3.4Å; K140-Q143 PolarHBondContact O-N 3.43Å; K140-I144 WeakPolarHBondContact O-CG1 3.33Å; K140-I144 PolarHBondContact O-N 3.1Å; K140-L162 HydrophobicContact CD-CB 4.36Å; K140-L162 WeakPolarHBondContact CD-O 3.23Å; K140-L162 WeakPolarHBondContact CE-O 3.3Å; K140-L162 PolarHBondContact NZ-O 3.28Å; K140-I164 HydrophobicContact CB-CD1 4.09Å; K140-I164 HydrophobicContact CD-CD1 4.29Å; K140-I164 HydrophobicContact CD-CG1 4.28Å
141A92.3Very high83.7Confident0 Ų042.7 Ų42.70%021%0.212CC..Hα-helixtrans-61-47.3174.600000112.2F129 L136 P137 L138 R139 Q143 I144 I145 W172F129-A141 HydrophobicContact CD1-CB 4.29Å; F129-A141 HydrophobicContact CE1-CB 3.9Å; L136-A141 HydrophobicContact CD2-CB 4.3Å; P137-A141 PolarHBondContact O-N 3Å; L138-A141 WeakPolarHBondContact O-CB 3.2Å; L138-A141 PolarHBondContact O-N 3.02Å; R139-A141 VanDerWaalsContact C-N 3.31Å; R139-A141 PolarHBondContact O-N 2.8Å; A141-Q143 VanDerWaalsContact C-N 3.3Å; A141-Q143 PolarHBondContact O-N 2.86Å; A141-I144 PolarHBondContact O-N 2.98Å; A141-I145 WeakPolarHBondContact O-CD1 3.21Å; A141-I145 VanDerWaalsContact O-CG1 3.25Å; A141-I145 WeakPolarHBondContact O-CG1 3.42Å; A141-I145 PolarHBondContact O-N 3.38Å; A141-W172 HydrophobicContact CB-CH2 3.29Å; A141-W172 HydrophobicContact CB-CZ2 3.78Å; A141-W172 HydrophobicContact CB-CZ3 3.74Å
142V93Very high83.9Confident1 Ų144.4 Ų44.41%0.00622%0.215CC..Hα-helixtrans-60.6-41.5175.5176.90000110.8L68 V72 F81 L82 L138 R139 I145 Y146 F213L68-V142 HydrophobicContact CD1-CG1 4.13Å; V72-V142 HydrophobicContact CG2-CG1 4.22Å; F81-V142 HydrophobicContact CD1-CG1 4.3Å; F81-V142 HydrophobicContact CD1-CG2 4.35Å; F81-V142 HydrophobicContact CE1-CG1 4.16Å; L82-V142 HydrophobicContact CD1-CG2 4.05Å; L82-V142 HydrophobicContact CD2-CG2 3.84Å; L82-V142 HydrophobicContact CG-CG2 3.95Å; L138-V142 WeakPolarHBondContact O-CG2 3.16Å; L138-V142 PolarHBondContact O-N 2.75Å; R139-V142 PolarHBondContact O-N 2.87Å; V142-I145 PolarHBondContact O-N 3.46Å; V142-Y146 PolarHBondContact O-N 3.43Å; V142-F213 HydrophobicContact CG1-CZ 4.12Å
143Q91.2Very high84.5Confident15 Ų1538.9 Ų38.97%0.0718%0.181CC..Hα-helixtrans-60.2-46.6176.6-68.6-179.9-4100112.6L68 R139 K140 A141 Y146 H147 L162L68-Q143 HydrophobicContact CD1-CG 4.38Å; L68-Q143 HydrophobicContact CD2-CB 4.1Å; L68-Q143 HydrophobicContact CD2-CG 3.69Å; L68-Q143 HydrophobicContact CG-CG 4.04Å; R139-Q143 WeakPolarHBondContact O-CG 3.41Å; R139-Q143 PolarHBondContact O-N 3.23Å; K140-Q143 PolarHBondContact O-N 3.43Å; A141-Q143 VanDerWaalsContact C-N 3.3Å; A141-Q143 PolarHBondContact O-N 2.86Å; Q143-Y146 PolarHBondContact O-N 3.3Å; Q143-H147 PolarHBondContact O-CD2 3.34Å; Q143-H147 PolarHBondContact O-N 2.94Å; Q143-L162 HydrophobicContact CB-CD1 4.11Å; Q143-L162 HydrophobicContact CB-CD2 3.94Å
144I90.5Very high85.4Confident0 Ų041 Ų410%020%0.197CC..Hα-helixtrans-60.6-48.6176-65.9162.7000110.8L136 K140 A141 Y146 H147 W148 L162 I164 W172 L176L136-I144 HydrophobicContact CD2-CD1 3.53Å; K140-I144 WeakPolarHBondContact O-CG1 3.33Å; K140-I144 PolarHBondContact O-N 3.1Å; A141-I144 PolarHBondContact O-N 2.98Å; I144-Y146 PolarHBondContact O-N 3.28Å; I144-H147 PolarHBondContact O-N 3.24Å; I144-W148 WeakPolarHBondContact O-CB 3.3Å; I144-W148 PolarHBondContact O-N 2.91Å; I144-L162 HydrophobicContact CG1-CD1 3.72Å; I144-I164 HydrophobicContact CD1-CD1 3.39Å; I144-I164 HydrophobicContact CG1-CD1 3.7Å; I144-W172 HydrophobicContact CD1-CB 3.88Å; I144-W172 HydrophobicContact CD1-CD2 4.06Å; I144-W172 HydrophobicContact CD1-CE3 4.48Å; I144-W172 HydrophobicContact CD1-CG 3.76Å; I144-W172 HydrophobicContact CG2-CB 4.17Å; I144-L176 HydrophobicContact CG2-CD1 3.92Å
145I91.7Very high86.6Confident0 Ų040.3 Ų40.30%020%0.195CC..Hα-helixtrans-57.3-42.8-178.5-64.3162.4000110.2F129 A141 V142 S149 W172 L176 F213 I216 L217 I220F129-I145 HydrophobicContact CE1-CD1 4.14Å; F129-I145 HydrophobicContact CZ-CD1 3.99Å; A141-I145 WeakPolarHBondContact O-CD1 3.21Å; A141-I145 VanDerWaalsContact O-CG1 3.25Å; A141-I145 WeakPolarHBondContact O-CG1 3.42Å; A141-I145 PolarHBondContact O-N 3.38Å; V142-I145 PolarHBondContact O-N 3.46Å; I145-S149 WeakPolarHBondContact O-CB 3.36Å; I145-S149 PolarHBondContact O-N 3.03Å; I145-W172 HydrophobicContact CD1-CZ3 4.48Å; I145-L176 HydrophobicContact CG1-CD1 4.41Å; I145-L176 HydrophobicContact CG1-CD2 4Å; I145-F213 HydrophobicContact CB-CE2 4.13Å; I145-F213 HydrophobicContact CG2-CD2 3.95Å; I145-F213 HydrophobicContact CG2-CE2 3.72Å; I145-I216 HydrophobicContact CG2-CG2 3.59Å; I145-L217 HydrophobicContact CG2-CD2 3.9Å; I145-I220 HydrophobicContact CD1-CD1 3.99Å; I145-I220 HydrophobicContact CG1-CD1 4.48Å; I145-I220 HydrophobicContact CG2-CD1 4.47Å
146Y90.8Very high87.2Confident11 Ų1135.3 Ų35.34%0.04318%0.18CC..Hα-helixtrans-63.5-57.3177.2179-104.4000112.8G64 W67 L68 V142 Q143 I144 W148 S149 Q150 F213G64-Y146 WeakPolarHBondContact CA-OH 3.47Å; G64-Y146 WeakPolarHBondContact O-CE1 3.45Å; G64-Y146 PolarHBondContact O-OH 2.86Å; W67-Y146 HydrophobicContact CE3-CD1 4.37Å; W67-Y146 HydrophobicContact CE3-CD2 4.23Å; W67-Y146 AromaticContact CE3-CE1 3.91Å; W67-Y146 HydrophobicContact CE3-CE1 3.91Å; W67-Y146 AromaticContact CE3-CE2 3.73Å; W67-Y146 HydrophobicContact CE3-CE2 3.73Å; W67-Y146 HydrophobicContact CE3-CG 4.47Å; W67-Y146 AromaticContact CE3-CZ 3.5Å; W67-Y146 AromaticContact CH2-CD1 3.82Å; W67-Y146 HydrophobicContact CH2-CD1 3.82Å; W67-Y146 AromaticContact CH2-CD2 2.92Å; W67-Y146 HydrophobicContact CH2-CD2 2.92Å; W67-Y146 HydrophobicContact CH2-CE1 4.09Å; W67-Y146 AromaticContact CH2-CE2 3.26Å; W67-Y146 HydrophobicContact CH2-CE2 3.26Å; W67-Y146 AromaticContact CH2-CG 3.19Å; W67-Y146 HydrophobicContact CH2-CG 3.19Å; W67-Y146 AromaticContact CH2-CZ 3.8Å; W67-Y146 AromaticContact CZ2-CD2 3.92Å; W67-Y146 HydrophobicContact CZ2-CD2 3.92Å; W67-Y146 HydrophobicContact CZ2-CE2 4.09Å; W67-Y146 HydrophobicContact CZ2-CG 4.46Å; W67-Y146 AromaticContact CZ3-CD1 3.3Å; W67-Y146 HydrophobicContact CZ3-CD1 3.3Å; W67-Y146 AromaticContact CZ3-CD2 3.15Å; W67-Y146 HydrophobicContact CZ3-CD2 3.15Å; W67-Y146 AromaticContact CZ3-CE1 3.23Å; W67-Y146 HydrophobicContact CZ3-CE1 3.23Å; W67-Y146 AromaticContact CZ3-CE2 3.07Å; W67-Y146 HydrophobicContact CZ3-CE2 3.07Å; W67-Y146 AromaticContact CZ3-CG 3.21Å; W67-Y146 HydrophobicContact CZ3-CG 3.21Å; W67-Y146 AromaticContact CZ3-CZ 3.06Å; L68-Y146 HydrophobicContact CD2-CD1 3.91Å; L68-Y146 HydrophobicContact CD2-CG 4.29Å; V142-Y146 PolarHBondContact O-N 3.43Å; Q143-Y146 PolarHBondContact O-N 3.3Å; I144-Y146 PolarHBondContact O-N 3.28Å; Y146-W148 PolarHBondContact O-N 3.29Å; Y146-S149 WeakPolarHBondContact O-CB 3.44Å; Y146-S149 PolarHBondContact O-N 3.22Å; Y146-S149 PolarHBondContact O-OG 3.43Å; Y146-Q150 HydrophobicContact CD1-CG 4.29Å; Y146-Q150 HydrophobicContact CD2-CG 4.29Å; Y146-Q150 HydrophobicContact CE1-CG 3.78Å; Y146-Q150 HydrophobicContact CE2-CG 3.81Å; Y146-Q150 WeakPolarHBondContact O-CG 3.3Å; Y146-Q150 PolarHBondContact O-N 3.02Å; Y146-Q150 VanDerWaalsContact O-N 3.1Å; Y146-F213 VanDerWaalsContact CA-CD2 3.5Å; Y146-F213 HydrophobicContact CD2-CB 4.09Å; Y146-F213 HydrophobicContact CD2-CD1 4.27Å; Y146-F213 AromaticContact CD2-CD2 3.87Å; Y146-F213 HydrophobicContact CD2-CD2 3.87Å; Y146-F213 HydrophobicContact CD2-CE2 4.29Å; Y146-F213 AromaticContact CD2-CG 3.83Å; Y146-F213 HydrophobicContact CD2-CG 3.83Å; Y146-F213 HydrophobicContact CG-CD2 4.44Å
147H87.7Confident87.2Confident11 Ų1136.4 Ų36.45%0.05118%0.184CC..Hα-helixtrans-62.8-29.7-177.4-69.3-63.3000111.9Q143 I144 Q150 G151 H152 A153 F157Q143-H147 PolarHBondContact O-CD2 3.34Å; Q143-H147 PolarHBondContact O-N 2.94Å; I144-H147 PolarHBondContact O-N 3.24Å; H147-Q150 PolarHBondContact O-N 2.92Å; H147-G151 PolarHBondContact O-N 3.39Å; H147-H152 HydrophobicContact CB-CB 4.43Å; H147-H152 PolarHBondContact O-N 2.95Å; H147-A153 HydrophobicContact CB-CB 4.02Å; H147-A153 PolarHBondContact O-N 3.49Å; H147-A153 VanDerWaalsContact O-N 3.1Å; H147-F157 HydrophobicContact CB-CD1 4.35Å; H147-F157 HydrophobicContact CB-CE1 3.78Å; H147-F157 HydrophobicContact CB-CZ 4.39Å; H147-F157 AromaticContact CD2-CE1 3.42Å; H147-F157 VanDerWaalsContact CD2-CE1 3.42Å; H147-F157 WeakPolarHBondContact CD2-CE1 3.36Å; H147-F157 AromaticContact CD2-CZ 3.76Å; H147-F157 AromaticContact CE1-CZ 3.61Å; H147-F157 AromaticContact CG-CE1 3.4Å; H147-F157 AromaticContact CG-CZ 3.67Å; H147-F157 AromaticContact ND1-CE1 3.82Å; H147-F157 AromaticContact ND1-CZ 3.57Å; H147-F157 AromaticContact NE2-CE1 3.87Å; H147-F157 AromaticContact NE2-CZ 3.73Å
148W88.9Confident87.1Confident2 Ų233.6 Ų33.61%0.00817%0.166CC..Hα-helixtrans-67.9-43.4173.3-173.284.8000111.4I144 Y146 Q150 G151 A153 L176 R177 A180 E200 W203 R204 I216I144-W148 WeakPolarHBondContact O-CB 3.3Å; I144-W148 PolarHBondContact O-N 2.91Å; Y146-W148 PolarHBondContact O-N 3.29Å; W148-Q150 VanDerWaalsContact C-N 3.25Å; W148-Q150 PolarHBondContact O-N 3.36Å; W148-G151 PolarHBondContact O-N 3.32Å; W148-G151 VanDerWaalsContact O-N 3.16Å; W148-A153 VanDerWaalsContact CA-CB 3.45Å; W148-A153 HydrophobicContact CB-CB 3.72Å; W148-A153 HydrophobicContact CG-CB 4.45Å; W148-A153 VanDerWaalsContact N-CB 3.31Å; W148-L176 HydrophobicContact CB-CD1 3.6Å; W148-L176 HydrophobicContact CD2-CB 3.65Å; W148-L176 HydrophobicContact CD2-CD1 3.91Å; W148-L176 HydrophobicContact CD2-CG 4.36Å; W148-L176 HydrophobicContact CE3-CB 4.02Å; W148-L176 HydrophobicContact CE3-CD1 4.35Å; W148-L176 HydrophobicContact CG-CB 4.04Å; W148-L176 HydrophobicContact CG-CD1 3.54Å; W148-L176 HydrophobicContact CG-CG 4.42Å; W148-L176 HydrophobicContact CZ2-CB 4.17Å; W148-L176 HydrophobicContact CZ3-CB 4.44Å; W148-R177 HydrophobicContact CZ2-CG 4.22Å; W148-A180 HydrophobicContact CH2-CB 3.71Å; W148-A180 HydrophobicContact CZ2-CB 4.41Å; W148-E200 HydrophobicContact CH2-CG 4.45Å; W148-E200 HydrophobicContact CZ2-CB 4.16Å; W148-E200 HydrophobicContact CZ2-CG 3.98Å; W148-W203 HydrophobicContact CH2-CG 4.46Å; W148-R204 PolarHBondContact O-NH2 2.76Å; W148-I216 HydrophobicContact CE3-CG1 4.35Å; W148-I216 HydrophobicContact CZ3-CD1 3.95Å; W148-I216 HydrophobicContact CZ3-CG1 4.02Å
149S87.3Confident87Confident1 Ų136.2 Ų36.21%0.00718%0.182CC..Hα-helixtrans-60.3-35.8176.275.20000113I145 Y146 R204 F213I145-S149 WeakPolarHBondContact O-CB 3.36Å; I145-S149 PolarHBondContact O-N 3.03Å; Y146-S149 WeakPolarHBondContact O-CB 3.44Å; Y146-S149 PolarHBondContact O-N 3.22Å; Y146-S149 PolarHBondContact O-OG 3.43Å; S149-R204 PolarHBondContact O-NE 2.96Å; S149-R204 PolarHBondContact O-NH2 3.46Å; S149-F213 WeakPolarHBondContact OG-CB 3.49Å
150Q81.6Confident86.9Confident68 Ų6838 Ų3832%0.31819%0.194SC..Hα-helixtrans-82.4-16.6178.9-58.5-56.1-39.900113.9Y146 H147 W148Y146-Q150 HydrophobicContact CD1-CG 4.29Å; Y146-Q150 HydrophobicContact CD2-CG 4.29Å; Y146-Q150 HydrophobicContact CE1-CG 3.78Å; Y146-Q150 HydrophobicContact CE2-CG 3.81Å; Y146-Q150 WeakPolarHBondContact O-CG 3.3Å; Y146-Q150 PolarHBondContact O-N 3.02Å; Y146-Q150 VanDerWaalsContact O-N 3.1Å; H147-Q150 PolarHBondContact O-N 2.92Å; W148-Q150 VanDerWaalsContact C-N 3.25Å; W148-Q150 PolarHBondContact O-N 3.36Å
151G81.4Confident86.6Confident29 Ų2941.1 Ų41.130%0.29921%0.209SC..THydrogen-bonded Turntrans93.415.1178.200000115.1H147 W148 E200 R204H147-G151 PolarHBondContact O-N 3.39Å; W148-G151 PolarHBondContact O-N 3.32Å; W148-G151 VanDerWaalsContact O-N 3.16Å; G151-E200 WeakPolarHBondContact CA-OE1 3.4Å; G151-R204 VanDerWaalsContact CA-NH1 3.35Å
152H75.1Confident86.4Confident112 Ų11241.5 Ų41.552%0.51921%0.211SC..  trans-100.1-15.9-179.7-59.3-55.8000113.1H147 T154 F157H147-H152 HydrophobicContact CB-CB 4.43Å; H147-H152 PolarHBondContact O-N 2.95Å; H152-T154 PolarHBondContact O-N 3.41Å; H152-F157 WeakPolarHBondContact O-CB 3.37Å; H152-F157 WeakPolarHBondContact O-CG 3.42Å
153A72Confident86.2Confident12 Ų1244.8 Ų44.810%0.09925%0.245CC..  trans-74.865.1-17700000113.2H147 W148H147-A153 HydrophobicContact CB-CB 4.02Å; H147-A153 PolarHBondContact O-N 3.49Å; H147-A153 VanDerWaalsContact O-N 3.1Å; W148-A153 VanDerWaalsContact CA-CB 3.45Å; W148-A153 HydrophobicContact CB-CB 3.72Å; W148-A153 HydrophobicContact CG-CB 4.45Å; W148-A153 VanDerWaalsContact N-CB 3.31Å
154T80.9Confident86.2Confident81 Ų8144.5 Ų44.550%0.49724%0.244SC..  trans-68.3155159.9660000109.3H152 K156 F157 C158H152-T154 PolarHBondContact O-N 3.41Å; T154-K156 PolarHBondContact O-N 2.88Å; T154-F157 WeakPolarHBondContact O-CB 3.39Å; T154-F157 PolarHBondContact O-N 3.05Å; T154-F157 VanDerWaalsContact O-N 3.14Å; T154-F157 VanDerWaalsContact OG1-CB 3.25Å; T154-F157 WeakPolarHBondContact OG1-CB 3.4Å; T154-F157 PolarHBondContact OG1-N 2.81Å; T154-C158 PolarHBondContact O-N 3.03Å; T154-C158 PolarHBondContact O-SG 2.87Å
155I86.1Confident86.2Confident46 Ų4648 Ų4824%0.23627%0.267CS..Hα-helixtrans-57.7-40.1175.1-56.9-53.5000110.4C158 V159 K166 A169 I170 C173I155-C158 PolarHBondContact O-N 3.36Å; I155-V159 HydrophobicContact CG2-CG2 4.44Å; I155-V159 VanDerWaalsContact O-CG2 3.3Å; I155-V159 WeakPolarHBondContact O-CG2 3.25Å; I155-V159 PolarHBondContact O-N 2.7Å; I155-K166 HydrophobicContact CG2-CG 3.99Å; I155-A169 HydrophobicContact CD1-CB 4.25Å; I155-A169 HydrophobicContact CG2-CB 4.19Å; I155-I170 HydrophobicContact CD1-CB 4.37Å; I155-I170 HydrophobicContact CD1-CG1 3.82Å; I155-I170 HydrophobicContact CG1-CG1 4.06Å; I155-I170 HydrophobicContact CG2-CG1 4.06Å; I155-C173 HydrophobicContact CD1-CB 4.1Å
156K87.3Confident86.1Confident136 Ų13654.8 Ų54.859%0.59130%0.297SS*.Hα-helixtrans-57.8-49.2175.4-173.4179.1179.7-177.40111.4T154 C158 V159 E160T154-K156 PolarHBondContact O-N 2.88Å; K156-C158 PolarHBondContact O-N 3.16Å; K156-V159 PolarHBondContact O-N 2.88Å; K156-E160 VanDerWaalsContact CE-CD 3.4Å; K156-E160 WeakPolarHBondContact CE-OE1 3.48Å; K156-E160 VanDerWaalsContact CE-OE2 3.27Å; K156-E160 WeakPolarHBondContact CE-OE2 3.21Å; K156-E160 HydrophobicContact CG-CG 4.32Å; K156-E160 WeakPolarHBondContact CG-OE1 3.3Å; K156-E160 IonicContact NZ-OE1 3.58Å; K156-E160 WeakPolarHBondContact O-CB 3.47Å; K156-E160 WeakPolarHBondContact O-CG 3.38Å; K156-E160 PolarHBondContact O-N 3.2Å
157F87.5Confident86.1Confident41 Ų4158.9 Ų58.918%0.1832%0.317CS..Hα-helixtrans-57.4-47.3176.3179.2-85.3000112.1H147 H152 T154 V159 E160 Q161 L162H147-F157 HydrophobicContact CB-CD1 4.35Å; H147-F157 HydrophobicContact CB-CE1 3.78Å; H147-F157 HydrophobicContact CB-CZ 4.39Å; H147-F157 AromaticContact CD2-CE1 3.42Å; H147-F157 VanDerWaalsContact CD2-CE1 3.42Å; H147-F157 WeakPolarHBondContact CD2-CE1 3.36Å; H147-F157 AromaticContact CD2-CZ 3.76Å; H147-F157 AromaticContact CE1-CZ 3.61Å; H147-F157 AromaticContact CG-CE1 3.4Å; H147-F157 AromaticContact CG-CZ 3.67Å; H147-F157 AromaticContact ND1-CE1 3.82Å; H147-F157 AromaticContact ND1-CZ 3.57Å; H147-F157 AromaticContact NE2-CE1 3.87Å; H147-F157 AromaticContact NE2-CZ 3.73Å; H152-F157 WeakPolarHBondContact O-CB 3.37Å; H152-F157 WeakPolarHBondContact O-CG 3.42Å; T154-F157 WeakPolarHBondContact O-CB 3.39Å; T154-F157 PolarHBondContact O-N 3.05Å; T154-F157 VanDerWaalsContact O-N 3.14Å; T154-F157 VanDerWaalsContact OG1-CB 3.25Å; T154-F157 WeakPolarHBondContact OG1-CB 3.4Å; T154-F157 PolarHBondContact OG1-N 2.81Å; F157-V159 VanDerWaalsContact C-N 3.29Å; F157-V159 PolarHBondContact O-N 2.86Å; F157-E160 PolarHBondContact O-N 3.49Å; F157-Q161 HydrophobicContact CD1-CB 4.42Å; F157-Q161 HydrophobicContact CD2-CB 4.11Å; F157-Q161 HydrophobicContact CD2-CG 3.61Å; F157-Q161 HydrophobicContact CE1-CB 4.18Å; F157-Q161 HydrophobicContact CE2-CB 3.89Å; F157-Q161 HydrophobicContact CE2-CG 3.65Å; F157-Q161 HydrophobicContact CG-CB 4.36Å; F157-Q161 HydrophobicContact CG-CG 4.15Å; F157-Q161 HydrophobicContact CZ-CB 3.91Å; F157-Q161 HydrophobicContact CZ-CG 4.21Å; F157-Q161 WeakPolarHBondContact O-CA 3.47Å; F157-Q161 VanDerWaalsContact O-CB 3.24Å; F157-Q161 WeakPolarHBondContact O-CB 3.39Å; F157-Q161 PolarHBondContact O-N 3.45Å; F157-L162 HydrophobicContact CE1-CD1 4.29Å; F157-L162 HydrophobicContact CE1-CD2 4.3Å; F157-L162 HydrophobicContact CE1-CG 4.1Å
158C87.3Confident86.2Confident0 Ų058.5 Ų58.50%032%0.316CS..Hα-helixtrans-62.7-35.8179.2-67.50000112.7T154 I155 K156 L162 G163 I164 A169T154-C158 PolarHBondContact O-N 3.03Å; T154-C158 PolarHBondContact O-SG 2.87Å; I155-C158 PolarHBondContact O-N 3.36Å; K156-C158 PolarHBondContact O-N 3.16Å; C158-L162 CarbonylContact O-C 3.54Å; C158-L162 VanDerWaalsContact O-CB 3.32Å; C158-L162 WeakPolarHBondContact O-CB 3.41Å; C158-L162 PolarHBondContact O-N 2.91Å; C158-G163 PolarHBondContact O-N 2.98Å; C158-I164 PolarHBondContact O-N 3.49Å; C158-A169 HydrophobicContact CB-CB 3.52Å
159V90.3Very high86.3Confident57 Ų5758.4 Ų58.435%0.34532%0.315SS..Hα-helixtrans-72.3-52.1177.9174.90000110.9I155 K156 F157 G163 I164 K166I155-V159 HydrophobicContact CG2-CG2 4.44Å; I155-V159 VanDerWaalsContact O-CG2 3.3Å; I155-V159 WeakPolarHBondContact O-CG2 3.25Å; I155-V159 PolarHBondContact O-N 2.7Å; K156-V159 PolarHBondContact O-N 2.88Å; F157-V159 VanDerWaalsContact C-N 3.29Å; F157-V159 PolarHBondContact O-N 2.86Å; V159-G163 VanDerWaalsContact O-CA 3.3Å; V159-G163 WeakPolarHBondContact O-CA 3.49Å; V159-G163 PolarHBondContact O-N 3.47Å; V159-G163 VanDerWaalsContact O-N 3.17Å; V159-I164 WeakPolarHBondContact CA-O 3.43Å; V159-I164 WeakPolarHBondContact CG2-O 3.32Å; V159-K166 HydrophobicContact CG2-CB 4.1Å
160E90Very high86.3Confident115 Ų11561.3 Ų61.354%0.53733%0.33SS..Hα-helixtrans-76.9-45.3-172.3-67.3174.9176.700112.7K156 F157K156-E160 VanDerWaalsContact CE-CD 3.4Å; K156-E160 WeakPolarHBondContact CE-OE1 3.48Å; K156-E160 VanDerWaalsContact CE-OE2 3.27Å; K156-E160 WeakPolarHBondContact CE-OE2 3.21Å; K156-E160 HydrophobicContact CG-CG 4.32Å; K156-E160 WeakPolarHBondContact CG-OE1 3.3Å; K156-E160 IonicContact NZ-OE1 3.58Å; K156-E160 WeakPolarHBondContact O-CB 3.47Å; K156-E160 WeakPolarHBondContact O-CG 3.38Å; K156-E160 PolarHBondContact O-N 3.2Å; F157-E160 PolarHBondContact O-N 3.49Å
161Q86.8Confident86.7Confident125 Ų12562.7 Ų62.758%0.58433%0.332SS*.THydrogen-bonded Turntrans-92.3-32.3-171.3-54.2-57.1-4800112.3F157F157-Q161 HydrophobicContact CD1-CB 4.42Å; F157-Q161 HydrophobicContact CD2-CB 4.11Å; F157-Q161 HydrophobicContact CD2-CG 3.61Å; F157-Q161 HydrophobicContact CE1-CB 4.18Å; F157-Q161 HydrophobicContact CE2-CB 3.89Å; F157-Q161 HydrophobicContact CE2-CG 3.65Å; F157-Q161 HydrophobicContact CG-CB 4.36Å; F157-Q161 HydrophobicContact CG-CG 4.15Å; F157-Q161 HydrophobicContact CZ-CB 3.91Å; F157-Q161 HydrophobicContact CZ-CG 4.21Å; F157-Q161 WeakPolarHBondContact O-CA 3.47Å; F157-Q161 VanDerWaalsContact O-CB 3.24Å; F157-Q161 WeakPolarHBondContact O-CB 3.39Å; F157-Q161 PolarHBondContact O-N 3.45Å
162L87.5Confident87.1Confident8 Ų861.6 Ų61.64%0.04232%0.319CS..THydrogen-bonded Turntrans-100.8-9179.8-50.9-179.3000113K140 Q143 I144 F157 C158 I164K140-L162 HydrophobicContact CD-CB 4.36Å; K140-L162 WeakPolarHBondContact CD-O 3.23Å; K140-L162 WeakPolarHBondContact CE-O 3.3Å; K140-L162 PolarHBondContact NZ-O 3.28Å; Q143-L162 HydrophobicContact CB-CD1 4.11Å; Q143-L162 HydrophobicContact CB-CD2 3.94Å; I144-L162 HydrophobicContact CG1-CD1 3.72Å; F157-L162 HydrophobicContact CE1-CD1 4.29Å; F157-L162 HydrophobicContact CE1-CD2 4.3Å; F157-L162 HydrophobicContact CE1-CG 4.1Å; C158-L162 CarbonylContact O-C 3.54Å; C158-L162 VanDerWaalsContact O-CB 3.32Å; C158-L162 WeakPolarHBondContact O-CB 3.41Å; C158-L162 PolarHBondContact O-N 2.91Å; L162-I164 VanDerWaalsContact C-N 3.28Å; L162-I164 HydrophobicContact CB-CD1 3.69Å; L162-I164 HydrophobicContact CB-CG1 3.8Å; L162-I164 HydrophobicContact CD1-CD1 4.07Å; L162-I164 PolarHBondContact O-N 3.06Å
163G89.2Confident87.7Confident70 Ų7056.3 Ų56.372%0.72230%0.295SS*.  trans64.932.2179.800000113C158 V159C158-G163 PolarHBondContact O-N 2.98Å; V159-G163 VanDerWaalsContact O-CA 3.3Å; V159-G163 WeakPolarHBondContact O-CA 3.49Å; V159-G163 PolarHBondContact O-N 3.47Å; V159-G163 VanDerWaalsContact O-N 3.17Å
164I89.7Confident88.5Confident9 Ų963.8 Ų63.85%0.04632%0.321CS..  trans-99.3138-176.9-58.6178.1000108.6L136 K140 I144 C158 V159 L162 A168 A169L136-I164 HydrophobicContact CD1-CD1 4.04Å; L136-I164 HydrophobicContact CD1-CG1 4.07Å; L136-I164 HydrophobicContact CD1-CG2 4.01Å; L136-I164 HydrophobicContact CD2-CD1 4.1Å; K140-I164 HydrophobicContact CB-CD1 4.09Å; K140-I164 HydrophobicContact CD-CD1 4.29Å; K140-I164 HydrophobicContact CD-CG1 4.28Å; I144-I164 HydrophobicContact CD1-CD1 3.39Å; I144-I164 HydrophobicContact CG1-CD1 3.7Å; C158-I164 PolarHBondContact O-N 3.49Å; V159-I164 WeakPolarHBondContact CA-O 3.43Å; V159-I164 WeakPolarHBondContact CG2-O 3.32Å; L162-I164 VanDerWaalsContact C-N 3.28Å; L162-I164 HydrophobicContact CB-CD1 3.69Å; L162-I164 HydrophobicContact CB-CG1 3.8Å; L162-I164 HydrophobicContact CD1-CD1 4.07Å; L162-I164 PolarHBondContact O-N 3.06Å; I164-A168 HydrophobicContact CG2-CB 3.59Å; I164-A169 HydrophobicContact CG2-CB 4.46Å
165C90.7Very high88.8Confident73 Ų7363.3 Ų63.349%0.49331%0.31SS..  trans-61.3145.917773.30000110.7Q167 A168 A169C165-Q167 PolarHBondContact O-N 3.19Å; C165-Q167 VanDerWaalsContact O-N 3.12Å; C165-A168 PolarHBondContact O-N 3.11Å; C165-A168 WeakPolarHBondContact SG-CB 3.32Å; C165-A169 PolarHBondContact O-N 2.85Å
166K90.9Very high89Confident143 Ų14361.1 Ų61.162%0.62230%0.299SS*.Hα-helixtrans-51-42.1-176-177.4179.5178.6-179.60112.5I155 V159 A169 I170I155-K166 HydrophobicContact CG2-CG 3.99Å; V159-K166 HydrophobicContact CG2-CB 4.1Å; K166-A169 PolarHBondContact O-N 3.49Å; K166-I170 HydrophobicContact CG-CD1 3.98Å; K166-I170 VanDerWaalsContact O-CG1 3.3Å; K166-I170 WeakPolarHBondContact O-CG1 3.45Å; K166-I170 PolarHBondContact O-N 3.44Å
167Q90.6Very high89Confident98 Ų9859.1 Ų59.146%0.45829%0.288SS..Hα-helixtrans-65.4-42.3-178.6-167.362.218.300112.4C165 I170 R171C165-Q167 PolarHBondContact O-N 3.19Å; C165-Q167 VanDerWaalsContact O-N 3.12Å; Q167-I170 PolarHBondContact O-N 2.98Å; Q167-R171 WeakPolarHBondContact O-CG 3.48Å; Q167-R171 PolarHBondContact O-N 3.26Å
168A89.7Confident89Confident3 Ų362 Ų623%0.02530%0.302CS..Hα-helixtrans-64.9-44.3175.600000111.5E134 I164 C165 I170 R171 W172E134-A168 WeakPolarHBondContact OE2-CA 3.35Å; E134-A168 VanDerWaalsContact OE2-CB 3.31Å; E134-A168 WeakPolarHBondContact OE2-CB 3.29Å; I164-A168 HydrophobicContact CG2-CB 3.59Å; C165-A168 PolarHBondContact O-N 3.11Å; C165-A168 WeakPolarHBondContact SG-CB 3.32Å; A168-I170 VanDerWaalsContact C-N 3.33Å; A168-I170 PolarHBondContact O-N 3.34Å; A168-R171 PolarHBondContact O-N 3.07Å; A168-W172 WeakPolarHBondContact O-CB 3.4Å; A168-W172 VanDerWaalsContact O-CD1 3.24Å; A168-W172 PolarHBondContact O-N 3.33Å
169A89.6Confident89Confident0 Ų062.6 Ų62.60%031%0.305CS..Hα-helixtrans-56.7-45.9175.400000112I155 C158 I164 C165 K166 R171 W172 C173I155-A169 HydrophobicContact CD1-CB 4.25Å; I155-A169 HydrophobicContact CG2-CB 4.19Å; C158-A169 HydrophobicContact CB-CB 3.52Å; I164-A169 HydrophobicContact CG2-CB 4.46Å; C165-A169 PolarHBondContact O-N 2.85Å; K166-A169 PolarHBondContact O-N 3.49Å; A169-R171 PolarHBondContact O-N 2.92Å; A169-W172 PolarHBondContact O-N 3.13Å; A169-C173 WeakPolarHBondContact O-CB 3.43Å; A169-C173 PolarHBondContact O-N 3.19Å; A169-C173 PolarHBondContact O-SG 3.47Å; A169-C173 VanDerWaalsContact O-SG 3.34Å
170I89.2Confident88.8Confident62 Ų6259.9 Ų59.932%0.31829%0.288SS..Hα-helixtrans-59.7-47.6177.9-70.3166.5000111I155 K166 Q167 A168 R174I155-I170 HydrophobicContact CD1-CB 4.37Å; I155-I170 HydrophobicContact CD1-CG1 3.82Å; I155-I170 HydrophobicContact CG1-CG1 4.06Å; I155-I170 HydrophobicContact CG2-CG1 4.06Å; K166-I170 HydrophobicContact CG-CD1 3.98Å; K166-I170 VanDerWaalsContact O-CG1 3.3Å; K166-I170 WeakPolarHBondContact O-CG1 3.45Å; K166-I170 PolarHBondContact O-N 3.44Å; Q167-I170 PolarHBondContact O-N 2.98Å; A168-I170 VanDerWaalsContact C-N 3.33Å; A168-I170 PolarHBondContact O-N 3.34Å; I170-R174 VanDerWaalsContact O-CB 3.31Å; I170-R174 WeakPolarHBondContact O-CB 3.48Å; I170-R174 PolarHBondContact O-N 2.89Å
171R89.5Confident88.5Confident97 Ų9756.1 Ų56.137%0.36628%0.277SS..Hα-helixtrans-62.5-48.2-179.7-73.3173.2-179.6149.2-1.5111.4E134 Q167 A168 A169 R174 Y175E134-R171 IonicContact OE1-NH1 2.65Å; E134-R171 PolarHBondContact OE1-NH1 3.46Å; E134-R171 VanDerWaalsContact OE2-CD 3.3Å; E134-R171 WeakPolarHBondContact OE2-CD 3.42Å; E134-R171 IonicContact OE2-CZ 3.91Å; E134-R171 IonicContact OE2-NH1 2.68Å; E134-R171 PolarHBondContact OE2-NH1 3.42Å; Q167-R171 WeakPolarHBondContact O-CG 3.48Å; Q167-R171 PolarHBondContact O-N 3.26Å; A168-R171 PolarHBondContact O-N 3.07Å; A169-R171 PolarHBondContact O-N 2.92Å; R171-R174 WeakPolarHBondContact O-CB 3.31Å; R171-R174 PolarHBondContact O-N 3.28Å; R171-Y175 HydrophobicContact CB-CE2 4.05Å; R171-Y175 WeakPolarHBondContact O-CD2 3.46Å; R171-Y175 PolarHBondContact O-N 3.34Å
172W89.7Confident88.3Confident5 Ų552.1 Ų52.12%0.01926%0.259CS..Hα-helixtrans-60-48.3178-85.690.3000112.6W128 F129 L136 A141 I144 I145 A168 A169 R174 Y175 L176W128-W172 HydrophobicContact CH2-CE3 4.19Å; W128-W172 HydrophobicContact CH2-CH2 4.33Å; W128-W172 AromaticContact CH2-CZ3 3.67Å; W128-W172 HydrophobicContact CH2-CZ3 3.67Å; W128-W172 HydrophobicContact CZ3-CE3 4.44Å; W128-W172 AromaticContact CZ3-CH2 3.85Å; W128-W172 HydrophobicContact CZ3-CH2 3.85Å; W128-W172 AromaticContact CZ3-CZ3 3.49Å; W128-W172 HydrophobicContact CZ3-CZ3 3.49Å; W128-W172 VanDerWaalsContact CZ3-CZ3 3.49Å; F129-W172 AromaticContact CD1-CH2 3.93Å; F129-W172 HydrophobicContact CD1-CH2 3.93Å; F129-W172 AromaticContact CE1-CH2 3.95Å; F129-W172 HydrophobicContact CE1-CH2 3.95Å; F129-W172 HydrophobicContact CE1-CZ3 4.34Å; L136-W172 HydrophobicContact CB-CZ2 4.21Å; L136-W172 HydrophobicContact CD2-CD2 4.24Å; L136-W172 HydrophobicContact CD2-CG 4.47Å; L136-W172 HydrophobicContact CD2-CZ2 4.05Å; A141-W172 HydrophobicContact CB-CH2 3.29Å; A141-W172 HydrophobicContact CB-CZ2 3.78Å; A141-W172 HydrophobicContact CB-CZ3 3.74Å; I144-W172 HydrophobicContact CD1-CB 3.88Å; I144-W172 HydrophobicContact CD1-CD2 4.06Å; I144-W172 HydrophobicContact CD1-CE3 4.48Å; I144-W172 HydrophobicContact CD1-CG 3.76Å; I144-W172 HydrophobicContact CG2-CB 4.17Å; I145-W172 HydrophobicContact CD1-CZ3 4.48Å; A168-W172 WeakPolarHBondContact O-CB 3.4Å; A168-W172 VanDerWaalsContact O-CD1 3.24Å; A168-W172 PolarHBondContact O-N 3.33Å; A169-W172 PolarHBondContact O-N 3.13Å; W172-R174 VanDerWaalsContact C-N 3.3Å; W172-R174 PolarHBondContact O-N 2.94Å; W172-Y175 PolarHBondContact O-N 2.74Å; W172-Y175 VanDerWaalsContact O-N 3.16Å; W172-L176 WeakPolarHBondContact O-CG 3.38Å; W172-L176 PolarHBondContact O-N 3.22Å
173C88.2Confident88.1Confident2 Ų252 Ų521%0.01426%0.26CS..Hα-helixtrans-63.2-36.9176.7-66.30000112I155 A169 L176 R177I155-C173 HydrophobicContact CD1-CB 4.1Å; A169-C173 WeakPolarHBondContact O-CB 3.43Å; A169-C173 PolarHBondContact O-N 3.19Å; A169-C173 PolarHBondContact O-SG 3.47Å; A169-C173 VanDerWaalsContact O-SG 3.34Å; C173-L176 PolarHBondContact O-N 2.99Å; C173-R177 WeakPolarHBondContact O-CG 3.43Å; C173-R177 PolarHBondContact O-N 2.83Å
174R88.1Confident87.6Confident169 Ų16949.7 Ų49.764%0.63823%0.231SC*.Hα-helixtrans-62.2-43.3173.6-179.5177.8178.3164-3.8111.5I170 R171 W172 R177 Q178I170-R174 VanDerWaalsContact O-CB 3.31Å; I170-R174 WeakPolarHBondContact O-CB 3.48Å; I170-R174 PolarHBondContact O-N 2.89Å; R171-R174 WeakPolarHBondContact O-CB 3.31Å; R171-R174 PolarHBondContact O-N 3.28Å; W172-R174 VanDerWaalsContact C-N 3.3Å; W172-R174 PolarHBondContact O-N 2.94Å; R174-R177 PolarHBondContact O-N 3.29Å; R174-Q178 PolarHBondContact O-N 2.93Å
175Y88.1Confident86.9Confident71 Ų7152.7 Ų52.728%0.27826%0.257SS..Hα-helixtrans-64.7-40.4179.4-65.1-44.8000113R133 R171 W172 Q178 L179R133-Y175 HydrophobicContact CB-CE2 4.28Å; R133-Y175 HydrophobicContact CG-CD2 4.34Å; R133-Y175 HydrophobicContact CG-CE2 3.83Å; R133-Y175 VanDerWaalsContact NH1-CE1 3.26Å; R133-Y175 VanDerWaalsContact NH1-CE2 3.34Å; R171-Y175 HydrophobicContact CB-CE2 4.05Å; R171-Y175 WeakPolarHBondContact O-CD2 3.46Å; R171-Y175 PolarHBondContact O-N 3.34Å; W172-Y175 PolarHBondContact O-N 2.74Å; W172-Y175 VanDerWaalsContact O-N 3.16Å; Y175-Q178 PolarHBondContact O-N 3.44Å; Y175-L179 WeakPolarHBondContact O-CG 3.14Å; Y175-L179 PolarHBondContact O-N 3.18Å
176L88.8Confident86Confident0 Ų053.4 Ų53.40%026%0.259CS..Hα-helixtrans-67.1-39.7176.1-65171.5000111.8W128 I144 I145 W148 W172 C173 Q178 L179 A180 I216W128-L176 HydrophobicContact CH2-CD2 4.38Å; I144-L176 HydrophobicContact CG2-CD1 3.92Å; I145-L176 HydrophobicContact CG1-CD1 4.41Å; I145-L176 HydrophobicContact CG1-CD2 4Å; W148-L176 HydrophobicContact CB-CD1 3.6Å; W148-L176 HydrophobicContact CD2-CB 3.65Å; W148-L176 HydrophobicContact CD2-CD1 3.91Å; W148-L176 HydrophobicContact CD2-CG 4.36Å; W148-L176 HydrophobicContact CE3-CB 4.02Å; W148-L176 HydrophobicContact CE3-CD1 4.35Å; W148-L176 HydrophobicContact CG-CB 4.04Å; W148-L176 HydrophobicContact CG-CD1 3.54Å; W148-L176 HydrophobicContact CG-CG 4.42Å; W148-L176 HydrophobicContact CZ2-CB 4.17Å; W148-L176 HydrophobicContact CZ3-CB 4.44Å; W172-L176 WeakPolarHBondContact O-CG 3.38Å; W172-L176 PolarHBondContact O-N 3.22Å; C173-L176 PolarHBondContact O-N 2.99Å; L176-Q178 VanDerWaalsContact C-N 3.33Å; L176-Q178 PolarHBondContact O-N 3.42Å; L176-L179 HydrophobicContact CD2-CD1 4.29Å; L176-L179 PolarHBondContact O-N 2.91Å; L176-A180 WeakPolarHBondContact O-CB 3.44Å; L176-A180 PolarHBondContact O-N 3.04Å; L176-I216 HydrophobicContact CD2-CG1 4.25Å
177R88.6Confident84.6Confident94 Ų9449.7 Ų49.736%0.35525%0.248SC..Hα-helixtrans-60.3-41.6171.9-77.1-174.2-117.9117.6-3.3112.5W148 C173 R174 A180 A181W148-R177 HydrophobicContact CZ2-CG 4.22Å; C173-R177 WeakPolarHBondContact O-CG 3.43Å; C173-R177 PolarHBondContact O-N 2.83Å; R174-R177 PolarHBondContact O-N 3.29Å; R177-A180 PolarHBondContact O-N 3.03Å; R177-A181 WeakPolarHBondContact O-CB 3.37Å; R177-A181 PolarHBondContact O-N 2.67Å
178Q86.4Confident83Confident101 Ų10150.7 Ų50.747%0.47226%0.264SS..Hα-helixtrans-63.3-47.6176.6-171.16548.500111.1R174 Y175 L176 A180 A181 D182R174-Q178 PolarHBondContact O-N 2.93Å; Y175-Q178 PolarHBondContact O-N 3.44Å; L176-Q178 VanDerWaalsContact C-N 3.33Å; L176-Q178 PolarHBondContact O-N 3.42Å; Q178-A180 VanDerWaalsContact C-N 3.3Å; Q178-A180 PolarHBondContact O-N 3.12Å; Q178-A181 PolarHBondContact O-N 2.92Å; Q178-A181 VanDerWaalsContact O-N 3.13Å; Q178-D182 PolarHBondContact NE2-OD1 3.38Å; Q178-D182 PolarHBondContact O-N 3.32Å
179L87.3Confident81.4Confident12 Ų1254.2 Ų54.26%0.06328%0.284CS..Hα-helixtrans-56.7-44.3177-75.3169.7000112.3W128 Y175 L176 A183 I216 V219 I220W128-L179 HydrophobicContact CH2-CD1 4.29Å; W128-L179 HydrophobicContact CZ2-CD1 3.45Å; W128-L179 VanDerWaalsContact CZ2-CD1 3.45Å; W128-L179 HydrophobicContact CZ2-CG 4.42Å; Y175-L179 WeakPolarHBondContact O-CG 3.14Å; Y175-L179 PolarHBondContact O-N 3.18Å; L176-L179 HydrophobicContact CD2-CD1 4.29Å; L176-L179 PolarHBondContact O-N 2.91Å; L179-A183 VanDerWaalsContact O-CB 3.29Å; L179-A183 WeakPolarHBondContact O-CB 3.03Å; L179-A183 PolarHBondContact O-N 3.13Å; L179-I216 HydrophobicContact CB-CD1 4.22Å; L179-V219 HydrophobicContact CB-CG1 4.06Å; L179-V219 HydrophobicContact CD2-CG1 4.12Å; L179-I220 HydrophobicContact CD1-CD1 4.32Å; L179-I220 HydrophobicContact CD1-CG1 3.56Å
180A86.1Confident79.3Confident0 Ų063.4 Ų63.40%033%0.328CS..Hα-helixtrans-65.6-40.8177.400000112.3W148 L176 R177 Q178 L184 W203W148-A180 HydrophobicContact CH2-CB 3.71Å; W148-A180 HydrophobicContact CZ2-CB 4.41Å; L176-A180 WeakPolarHBondContact O-CB 3.44Å; L176-A180 PolarHBondContact O-N 3.04Å; R177-A180 PolarHBondContact O-N 3.03Å; Q178-A180 VanDerWaalsContact C-N 3.3Å; Q178-A180 PolarHBondContact O-N 3.12Å; A180-L184 WeakPolarHBondContact O-CB 3.47Å; A180-L184 WeakPolarHBondContact O-CD1 3.13Å; A180-L184 WeakPolarHBondContact O-CG 3.45Å; A180-L184 PolarHBondContact O-N 2.71Å; A180-W203 HydrophobicContact CB-CB 4.1Å; A180-W203 HydrophobicContact CB-CD2 3.69Å; A180-W203 HydrophobicContact CB-CE3 3.69Å; A180-W203 HydrophobicContact CB-CG 3.85Å
181A84.1Confident77.5Confident36 Ų3665.6 Ų65.630%0.29834%0.339SS..Hα-helixtrans-64.1-47.1176.300000111.8R177 Q178 A183 L184 A185R177-A181 WeakPolarHBondContact O-CB 3.37Å; R177-A181 PolarHBondContact O-N 2.67Å; Q178-A181 PolarHBondContact O-N 2.92Å; Q178-A181 VanDerWaalsContact O-N 3.13Å; A181-A183 VanDerWaalsContact C-N 3.31Å; A181-A183 PolarHBondContact O-N 3.05Å; A181-L184 WeakPolarHBondContact O-CB 3.06Å; A181-L184 PolarHBondContact O-N 3.44Å; A181-A185 PolarHBondContact O-N 3.24Å
182D82.3Confident75.3Confident41 Ų4165 Ų6522%0.21936%0.363CS..Hα-helixtrans-60.6-44.9178.3-64.3-18.6000110.4Q178 L184 A185 T186 P224Q178-D182 PolarHBondContact NE2-OD1 3.38Å; Q178-D182 PolarHBondContact O-N 3.32Å; D182-L184 VanDerWaalsContact C-N 3.32Å; D182-L184 PolarHBondContact O-N 2.73Å; D182-A185 WeakPolarHBondContact O-CB 3.31Å; D182-A185 PolarHBondContact O-N 3.06Å; D182-A185 VanDerWaalsContact O-N 3.16Å; D182-T186 PolarHBondContact O-N 2.93Å; D182-T186 PolarHBondContact O-OG1 3.34Å; D182-T186 VanDerWaalsContact O-OG1 3.1Å; D182-P224 HydrophobicContact CB-CG 3.62Å
183A82.9Confident73.5Confident7 Ų767.2 Ų67.26%0.05839%0.388CS..Hα-helixtrans-68.1-32.8179.300000112.1L179 A181 W203 R206 V219L179-A183 VanDerWaalsContact O-CB 3.29Å; L179-A183 WeakPolarHBondContact O-CB 3.03Å; L179-A183 PolarHBondContact O-N 3.13Å; A181-A183 VanDerWaalsContact C-N 3.31Å; A181-A183 PolarHBondContact O-N 3.05Å; A183-W203 HydrophobicContact CB-CE3 4.43Å; A183-W203 HydrophobicContact CB-CH2 3.48Å; A183-W203 VanDerWaalsContact CB-CH2 3.48Å; A183-W203 HydrophobicContact CB-CZ3 3.27Å; A183-R206 PolarHBondContact O-NH1 3.32Å; A183-R206 PolarHBondContact O-NH2 2.64Å; A183-V219 HydrophobicContact CB-CG1 3.88Å; A183-V219 HydrophobicContact CB-CG2 3.78Å
184L79.5Confident71.2Confident21 Ų2174 Ų7411%0.1143%0.432CS..Hα-helixtrans-65.8-38.4170.8-76.8162.4000111.6A180 A181 D182 T186 T187 M202 W203 R206A180-L184 WeakPolarHBondContact O-CB 3.47Å; A180-L184 WeakPolarHBondContact O-CD1 3.13Å; A180-L184 WeakPolarHBondContact O-CG 3.45Å; A180-L184 PolarHBondContact O-N 2.71Å; A181-L184 WeakPolarHBondContact O-CB 3.06Å; A181-L184 PolarHBondContact O-N 3.44Å; D182-L184 VanDerWaalsContact C-N 3.32Å; D182-L184 PolarHBondContact O-N 2.73Å; L184-T186 VanDerWaalsContact C-N 3.29Å; L184-T186 PolarHBondContact O-N 2.76Å; L184-T187 CarbonylContact O-C 3.53Å; L184-T187 PolarHBondContact O-N 2.91Å; L184-M202 HydrophobicContact CD1-CB 3.99Å; L184-M202 HydrophobicContact CD1-CE 4.29Å; L184-M202 HydrophobicContact CD2-CB 4.38Å; L184-W203 HydrophobicContact CD1-CE3 4.37Å; L184-W203 HydrophobicContact CG-CE3 3.97Å; L184-W203 HydrophobicContact CG-CZ3 4.41Å; L184-R206 HydrophobicContact CD2-CB 4.03Å; L184-R206 HydrophobicContact CD2-CG 4.36Å
185A75.4Confident69.3Low72 Ų7267.7 Ų67.760%0.59542%0.419SS*.Hα-helixtrans-64.7-32-179.500000113A181 D182 T187A181-A185 PolarHBondContact O-N 3.24Å; D182-A185 WeakPolarHBondContact O-CB 3.31Å; D182-A185 PolarHBondContact O-N 3.06Å; D182-A185 VanDerWaalsContact O-N 3.16Å; A185-T187 PolarHBondContact O-N 3Å
186T70.9Confident67.4Low88 Ų8872.2 Ų72.254%0.5445%0.448SS..THydrogen-bonded Turntrans-67.1-22179.6-430000113.9D182 L184 P224D182-T186 PolarHBondContact O-N 2.93Å; D182-T186 PolarHBondContact O-OG1 3.34Å; D182-T186 VanDerWaalsContact O-OG1 3.1Å; L184-T186 VanDerWaalsContact C-N 3.29Å; L184-T186 PolarHBondContact O-N 2.76Å; T186-P224 HydrophobicContact CG2-CB 4.39Å; T186-P224 WeakPolarHBondContact OG1-CB 3.48Å
187T62.5Low65.5Low64 Ų6480.7 Ų80.739%0.39349%0.487SS..SBendtrans-127.698.2170.265.50000107.6L184 A185 V189 R206L184-T187 CarbonylContact O-C 3.53Å; L184-T187 PolarHBondContact O-N 2.91Å; A185-T187 PolarHBondContact O-N 3Å; T187-V189 PolarHBondContact O-N 2.94Å; T187-R206 PolarHBondContact OG1-NE 2.89Å; T187-R206 PolarHBondContact OG1-NH2 3.31Å
188P55.3Low63.9Low120 Ų12079.2 Ų79.278%0.77949%0.486SS*.  trans-59.1105-17623.1-32.3000109.2Q190P188-Q190 PolarHBondContact O-N 2.98Å
189V56.2Low62.8Low76 Ų7675.3 Ų75.346%0.46147%0.469SS..  trans-79.2115.6165-174.80000104.6T187 L191T187-V189 PolarHBondContact O-N 2.94Å; V189-L191 VanDerWaalsContact C-N 3.33Å; V189-L191 HydrophobicContact CB-CD1 4.48Å; V189-L191 HydrophobicContact CG1-CD1 3.58Å; V189-L191 HydrophobicContact CG1-CG 3.84Å; V189-L191 PolarHBondContact O-N 2.8Å
190Q46.8Very low61.8Low194 Ų19477.1 Ų77.191%0.90748%0.478SS*.  trans-6394.1173.2-78.6175.1-19.200109.1P188P188-Q190 PolarHBondContact O-N 2.98Å
191L51.6Low60.9Low107 Ų10782.1 Ų82.156%0.5650%0.5SS*.  trans-139.6111.4172.8-75169.3000108.9V189 M202V189-L191 VanDerWaalsContact C-N 3.33Å; V189-L191 HydrophobicContact CB-CD1 4.48Å; V189-L191 HydrophobicContact CG1-CD1 3.58Å; V189-L191 HydrophobicContact CG1-CG 3.84Å; V189-L191 PolarHBondContact O-N 2.8Å; L191-M202 HydrophobicContact CD1-SD 4.22Å
192G43.2Very low60.3Low85 Ų8582.7 Ų82.788%0.87650%0.497SS*.  trans-70.3143176.900000112.9
193G51.2Low60Low52 Ų5281.2 Ų81.254%0.53649%0.488SS..SBendtrans119.5126.5165.500000114.5G195G193-G195 PolarHBondContact O-N 3.37Å
194P40.5Very low59.6Low144 Ų14484.7 Ų84.794%0.93550%0.5SS*.  trans-75.6119.117628.7-28.6000110.3
195G47.9Very low59.4Low36 Ų3691.9 Ų91.937%0.37153%0.525SS..  trans-159.9103.6-177.700000113.7G193 H197 L198G193-G195 PolarHBondContact O-N 3.37Å; G195-H197 PolarHBondContact O-N 3.23Å; G195-L198 WeakPolarHBondContact O-CB 3.29Å; G195-L198 WeakPolarHBondContact O-CD1 3.42Å; G195-L198 WeakPolarHBondContact O-CG 3.14Å; G195-L198 PolarHBondContact O-N 2.83Å
196L47.7Very low59.4Low167 Ų16792.6 Ų92.687%0.87451%0.513SS*.THydrogen-bonded Turntrans-63.5-6.5-176-159.968.4000114.8
197H49.8Very low59.6Low178 Ų17889.7 Ų89.782%0.82449%0.493SS*.THydrogen-bonded Turntrans-95.8-9.3172.2-84.4-107.4000113.7G195 S199G195-H197 PolarHBondContact O-N 3.23Å; H197-S199 VanDerWaalsContact C-N 3.33Å; H197-S199 PolarHBondContact O-N 3.39Å
198L54.5Low60.3Low63 Ų6389.3 Ų89.333%0.3350%0.502SS..Hα-helixtrans-72.4-27.8-174.8-65.2169.2000111.4G195 E200 F201 M202G195-L198 WeakPolarHBondContact O-CB 3.29Å; G195-L198 WeakPolarHBondContact O-CD1 3.42Å; G195-L198 WeakPolarHBondContact O-CG 3.14Å; G195-L198 PolarHBondContact O-N 2.83Å; L198-E200 PolarHBondContact O-N 3.4Å; L198-F201 PolarHBondContact O-N 3.1Å; L198-M202 HydrophobicContact CB-CE 3.3Å; L198-M202 HydrophobicContact CB-CG 3.9Å; L198-M202 HydrophobicContact CB-SD 3.67Å; L198-M202 HydrophobicContact CD1-SD 4.42Å; L198-M202 HydrophobicContact CG-SD 4.49Å; L198-M202 WeakPolarHBondContact O-CA 3.46Å; L198-M202 WeakPolarHBondContact O-CB 3.01Å; L198-M202 WeakPolarHBondContact O-CG 3.3Å; L198-M202 PolarHBondContact O-N 3.16Å
199S63.7Low61Low18 Ų1889.6 Ų89.613%0.12650%0.502CS..Hα-helixtrans-61.9-43.8-168.663.60000113.8H197 W203H197-S199 VanDerWaalsContact C-N 3.33Å; H197-S199 PolarHBondContact O-N 3.39Å; S199-W203 WeakPolarHBondContact O-CA 3.4Å; S199-W203 WeakPolarHBondContact O-CB 3.47Å; S199-W203 PolarHBondContact O-N 2.74Å
200E66.5Low62Low51 Ų5188.6 Ų88.624%0.23850%0.502CS..Hα-helixtrans-69.2-43.7178.8-172.7-179145.900112.3W148 G151 L198 W203 R204W148-E200 HydrophobicContact CH2-CG 4.45Å; W148-E200 HydrophobicContact CZ2-CB 4.16Å; W148-E200 HydrophobicContact CZ2-CG 3.98Å; G151-E200 WeakPolarHBondContact CA-OE1 3.4Å; L198-E200 PolarHBondContact O-N 3.4Å; E200-W203 WeakPolarHBondContact O-CB 3.32Å; E200-W203 PolarHBondContact O-N 3.46Å; E200-R204 PolarHBondContact O-N 3.46Å; E200-R204 VanDerWaalsContact O-N 3.09Å; E200-R204 IonicContact OE1-CZ 3.96Å; E200-R204 IonicContact OE1-NH1 2.68Å; E200-R204 PolarHBondContact OE1-NH1 2.94Å; E200-R204 IonicContact OE1-NH2 3.41Å; E200-R204 PolarHBondContact OE1-NH2 2.9Å
201F66.8Low63.8Low105 Ų10580.5 Ų80.546%0.46147%0.465SS..Hα-helixtrans-69.3-43.9179177.8-103.1000112.3L198 W203 R204 R205L198-F201 PolarHBondContact O-N 3.1Å; F201-W203 VanDerWaalsContact C-N 3.31Å; F201-R204 PolarHBondContact O-N 3.43Å; F201-R205 HydrophobicContact CE1-CG 4.25Å; F201-R205 HydrophobicContact CZ-CG 4.35Å; F201-R205 PolarHBondContact O-N 3.27Å
202M70.8Confident65.4Low48 Ų4876.3 Ų76.324%0.23645%0.445CS..Hα-helixtrans-63.6-38.1173.7-70.6-171-5500111.1L184 L191 L198 R205 R206L184-M202 HydrophobicContact CD1-CB 3.99Å; L184-M202 HydrophobicContact CD1-CE 4.29Å; L184-M202 HydrophobicContact CD2-CB 4.38Å; L191-M202 HydrophobicContact CD1-SD 4.22Å; L198-M202 HydrophobicContact CB-CE 3.3Å; L198-M202 HydrophobicContact CB-CG 3.9Å; L198-M202 HydrophobicContact CB-SD 3.67Å; L198-M202 HydrophobicContact CD1-SD 4.42Å; L198-M202 HydrophobicContact CG-SD 4.49Å; L198-M202 WeakPolarHBondContact O-CA 3.46Å; L198-M202 WeakPolarHBondContact O-CB 3.01Å; L198-M202 WeakPolarHBondContact O-CG 3.3Å; L198-M202 PolarHBondContact O-N 3.16Å; M202-R205 PolarHBondContact O-N 2.64Å; M202-R206 WeakPolarHBondContact O-CB 3.4Å; M202-R206 PolarHBondContact O-N 3.34Å
203W77.1Confident67.6Low10 Ų1072.2 Ų72.24%0.03840%0.403CS..Hα-helixtrans-56.9-52.8173.6-175.4-107.7000110.8W148 A180 A183 L184 S199 E200 F201 R205 R206 I207 I216 V219W148-W203 HydrophobicContact CH2-CG 4.46Å; A180-W203 HydrophobicContact CB-CB 4.1Å; A180-W203 HydrophobicContact CB-CD2 3.69Å; A180-W203 HydrophobicContact CB-CE3 3.69Å; A180-W203 HydrophobicContact CB-CG 3.85Å; A183-W203 HydrophobicContact CB-CE3 4.43Å; A183-W203 HydrophobicContact CB-CH2 3.48Å; A183-W203 VanDerWaalsContact CB-CH2 3.48Å; A183-W203 HydrophobicContact CB-CZ3 3.27Å; L184-W203 HydrophobicContact CD1-CE3 4.37Å; L184-W203 HydrophobicContact CG-CE3 3.97Å; L184-W203 HydrophobicContact CG-CZ3 4.41Å; S199-W203 WeakPolarHBondContact O-CA 3.4Å; S199-W203 WeakPolarHBondContact O-CB 3.47Å; S199-W203 PolarHBondContact O-N 2.74Å; E200-W203 WeakPolarHBondContact O-CB 3.32Å; E200-W203 PolarHBondContact O-N 3.46Å; F201-W203 VanDerWaalsContact C-N 3.31Å; W203-R205 VanDerWaalsContact C-N 3.34Å; W203-R205 PolarHBondContact O-N 2.82Å; W203-R206 PolarHBondContact O-N 3.21Å; W203-I207 HydrophobicContact CD2-CD1 4.17Å; W203-I207 HydrophobicContact CG-CD1 4Å; W203-I207 HydrophobicContact CZ2-CD1 4.19Å; W203-I207 HydrophobicContact CZ2-CG1 4.44Å; W203-I207 WeakPolarHBondContact O-CD1 3.31Å; W203-I207 VanDerWaalsContact O-CG1 3.26Å; W203-I207 WeakPolarHBondContact O-CG1 3.37Å; W203-I207 PolarHBondContact O-N 2.99Å; W203-I216 HydrophobicContact CZ2-CD1 4.3Å; W203-V219 HydrophobicContact CH2-CG2 3.26Å; W203-V219 HydrophobicContact CZ2-CG2 3.51Å; W203-V219 HydrophobicContact CZ3-CG2 4.37Å
204R74.7Confident69.4Low80 Ų8070.6 Ų70.630%0.30238%0.382SS..Hα-helixtrans-60.8-41.5176.5-70.9-167.3-174.2105.436.3112.8W148 S149 G151 E200 F201 R206 I207 G208W148-R204 PolarHBondContact O-NH2 2.76Å; S149-R204 PolarHBondContact O-NE 2.96Å; S149-R204 PolarHBondContact O-NH2 3.46Å; G151-R204 VanDerWaalsContact CA-NH1 3.35Å; E200-R204 PolarHBondContact O-N 3.46Å; E200-R204 VanDerWaalsContact O-N 3.09Å; E200-R204 IonicContact OE1-CZ 3.96Å; E200-R204 IonicContact OE1-NH1 2.68Å; E200-R204 PolarHBondContact OE1-NH1 2.94Å; E200-R204 IonicContact OE1-NH2 3.41Å; E200-R204 PolarHBondContact OE1-NH2 2.9Å; F201-R204 PolarHBondContact O-N 3.43Å; R204-R206 VanDerWaalsContact C-N 3.34Å; R204-R206 PolarHBondContact O-N 3.27Å; R204-I207 PolarHBondContact O-N 3.11Å; R204-G208 PolarHBondContact O-N 3.31Å
205R74.6Confident71.7Confident172 Ų17264.6 Ų64.665%0.64935%0.345SS*.Hα-helixtrans-60.8-41.5175.1-81.4-171.3161.6176.2-0.6112.4F201 M202 W203 G208F201-R205 HydrophobicContact CE1-CG 4.25Å; F201-R205 HydrophobicContact CZ-CG 4.35Å; F201-R205 PolarHBondContact O-N 3.27Å; M202-R205 PolarHBondContact O-N 2.64Å; W203-R205 VanDerWaalsContact C-N 3.34Å; W203-R205 PolarHBondContact O-N 2.82Å; R205-G208 PolarHBondContact O-N 2.96Å
206R75Confident73.7Confident87 Ų8762.9 Ų62.933%0.32833%0.328SS..Hα-helixtrans-67.6-40.3179.6176.7168.5177.3-12615.2112.9A183 L184 T187 M202 W203 R204 G208A183-R206 PolarHBondContact O-NH1 3.32Å; A183-R206 PolarHBondContact O-NH2 2.64Å; L184-R206 HydrophobicContact CD2-CB 4.03Å; L184-R206 HydrophobicContact CD2-CG 4.36Å; T187-R206 PolarHBondContact OG1-NE 2.89Å; T187-R206 PolarHBondContact OG1-NH2 3.31Å; M202-R206 WeakPolarHBondContact O-CB 3.4Å; M202-R206 PolarHBondContact O-N 3.34Å; W203-R206 PolarHBondContact O-N 3.21Å; R204-R206 VanDerWaalsContact C-N 3.34Å; R204-R206 PolarHBondContact O-N 3.27Å; R206-G208 PolarHBondContact O-N 3.1Å
207I76.1Confident75.9Confident26 Ų2655.2 Ų55.213%0.13329%0.287CS..Hα-helixtrans-64.3-26.9178-64.3161.2000110.7W203 R204 T209 A210 A212 A215W203-I207 HydrophobicContact CD2-CD1 4.17Å; W203-I207 HydrophobicContact CG-CD1 4Å; W203-I207 HydrophobicContact CZ2-CD1 4.19Å; W203-I207 HydrophobicContact CZ2-CG1 4.44Å; W203-I207 WeakPolarHBondContact O-CD1 3.31Å; W203-I207 VanDerWaalsContact O-CG1 3.26Å; W203-I207 WeakPolarHBondContact O-CG1 3.37Å; W203-I207 PolarHBondContact O-N 2.99Å; R204-I207 PolarHBondContact O-N 3.11Å; I207-T209 PolarHBondContact O-N 3.4Å; I207-A210 HydrophobicContact CG2-CB 3.38Å; I207-A210 VanDerWaalsContact CG2-O 3.23Å; I207-A210 WeakPolarHBondContact CG2-O 3.38Å; I207-A210 WeakPolarHBondContact O-CB 3.44Å; I207-A210 PolarHBondContact O-N 3.25Å; I207-A212 HydrophobicContact CD1-CB 4.24Å; I207-A215 HydrophobicContact CD1-CB 3.65Å; I207-A215 HydrophobicContact CG1-CB 3.77Å; I207-A215 HydrophobicContact CG2-CB 3.9Å
208G76.3Confident77.8Confident56 Ų5651.1 Ų51.158%0.57727%0.271SS*.THydrogen-bonded Turntrans64.1-117.818000000110.8R204 R205 R206R204-G208 PolarHBondContact O-N 3.31Å; R205-G208 PolarHBondContact O-N 2.96Å; R206-G208 PolarHBondContact O-N 3.1Å
209T70.5Confident79.4Confident126 Ų12648.8 Ų48.877%0.77326%0.26SS*.THydrogen-bonded Turntrans-91.9-2.6-179.360.20000114R56 I207R56-T209 PolarHBondContact NH1-O 3.26Å; R56-T209 PolarHBondContact NH2-O 3.42Å; I207-T209 PolarHBondContact O-N 3.4Å
210A76.5Confident80.7Confident56 Ų5648.4 Ų48.446%0.46326%0.256SS..SBendtrans-68.8154.9175.400000110.9I207 A212I207-A210 HydrophobicContact CG2-CB 3.38Å; I207-A210 VanDerWaalsContact CG2-O 3.23Å; I207-A210 WeakPolarHBondContact CG2-O 3.38Å; I207-A210 WeakPolarHBondContact O-CB 3.44Å; I207-A210 PolarHBondContact O-N 3.25Å; A210-A212 PolarHBondContact O-N 3.04Å
211D84.1Confident81.7Confident24 Ų2449 Ų4913%0.12826%0.261CS..  trans-71.9116.9-178.1-177.9-81000109.5R59 F213 D214 A215R59-D211 IonicContact CZ-OD1 3.84Å; R59-D211 IonicContact CZ-OD2 3.31Å; R59-D211 IonicContact NH1-OD1 2.71Å; R59-D211 PolarHBondContact NH1-OD1 3.47Å; R59-D211 IonicContact NH1-OD2 3.93Å; R59-D211 PolarHBondContact NH1-OD2 3.17Å; D211-F213 PolarHBondContact O-N 3.03Å; D211-F213 WeakPolarHBondContact OD1-CA 3.23Å; D211-F213 VanDerWaalsContact OD1-CB 3.31Å; D211-F213 WeakPolarHBondContact OD1-CB 3.38Å; D211-F213 PolarHBondContact OD1-N 2.84Å; D211-D214 HydrophobicContact CB-CB 4.22Å; D211-D214 PolarHBondContact O-N 3.45Å; D211-D214 PolarHBondContact OD1-N 3.18Å; D211-A215 WeakPolarHBondContact O-CB 3.31Å; D211-A215 PolarHBondContact O-N 3.33Å
212A86.6Confident82.6Confident18 Ų1852.7 Ų52.715%0.14927%0.272CS..Hα-helixtrans-61.3-29.2-173.200000113.2I207 A210 I216I207-A212 HydrophobicContact CD1-CB 4.24Å; A210-A212 PolarHBondContact O-N 3.04Å; A212-I216 WeakPolarHBondContact O-CG2 3.38Å; A212-I216 PolarHBondContact O-N 2.94Å
213F89.6Confident82.9Confident0 Ų054.1 Ų54.10%029%0.285CS..Hα-helixtrans-73.3-50.1177.3179-118.8000110.5W67 F81 V142 I145 Y146 S149 D211 A215 I216 L217W67-F213 HydrophobicContact CH2-CE1 4.2Å; W67-F213 HydrophobicContact CH2-CZ 4.38Å; W67-F213 HydrophobicContact CZ2-CD1 4.24Å; W67-F213 AromaticContact CZ2-CE1 3.81Å; W67-F213 HydrophobicContact CZ2-CE1 3.81Å; W67-F213 HydrophobicContact CZ2-CZ 4.34Å; F81-F213 HydrophobicContact CE1-CE1 4.3Å; F81-F213 HydrophobicContact CE1-CZ 4.14Å; F81-F213 AromaticContact CZ-CE1 3.8Å; F81-F213 HydrophobicContact CZ-CE1 3.8Å; F81-F213 HydrophobicContact CZ-CZ 4.11Å; V142-F213 HydrophobicContact CG1-CZ 4.12Å; I145-F213 HydrophobicContact CB-CE2 4.13Å; I145-F213 HydrophobicContact CG2-CD2 3.95Å; I145-F213 HydrophobicContact CG2-CE2 3.72Å; Y146-F213 VanDerWaalsContact CA-CD2 3.5Å; Y146-F213 HydrophobicContact CD2-CB 4.09Å; Y146-F213 HydrophobicContact CD2-CD1 4.27Å; Y146-F213 AromaticContact CD2-CD2 3.87Å; Y146-F213 HydrophobicContact CD2-CD2 3.87Å; Y146-F213 HydrophobicContact CD2-CE2 4.29Å; Y146-F213 AromaticContact CD2-CG 3.83Å; Y146-F213 HydrophobicContact CD2-CG 3.83Å; Y146-F213 HydrophobicContact CG-CD2 4.44Å; S149-F213 WeakPolarHBondContact OG-CB 3.49Å; D211-F213 PolarHBondContact O-N 3.03Å; D211-F213 WeakPolarHBondContact OD1-CA 3.23Å; D211-F213 VanDerWaalsContact OD1-CB 3.31Å; D211-F213 WeakPolarHBondContact OD1-CB 3.38Å; D211-F213 PolarHBondContact OD1-N 2.84Å; F213-A215 VanDerWaalsContact C-N 3.27Å; F213-A215 PolarHBondContact O-N 2.75Å; F213-I216 WeakPolarHBondContact O-CG2 3.32Å; F213-I216 PolarHBondContact O-N 2.89Å; F213-L217 HydrophobicContact CD1-CD1 4.01Å; F213-L217 HydrophobicContact CD2-CG 4.46Å; F213-L217 HydrophobicContact CE1-CD1 3.66Å; F213-L217 HydrophobicContact CE1-CG 4.5Å; F213-L217 HydrophobicContact CE2-CD1 4.25Å; F213-L217 HydrophobicContact CE2-CD2 4.13Å; F213-L217 HydrophobicContact CE2-CG 4.28Å; F213-L217 HydrophobicContact CG-CD1 4.49Å; F213-L217 HydrophobicContact CZ-CD1 3.8Å; F213-L217 HydrophobicContact CZ-CD2 4.26Å; F213-L217 HydrophobicContact CZ-CG 4.32Å; F213-L217 VanDerWaalsContact O-CG 3.29Å; F213-L217 WeakPolarHBondContact O-CG 3.43Å; F213-L217 PolarHBondContact O-N 2.81Å
214D89.2Confident82.4Confident17 Ų1754.9 Ų54.99%0.09129%0.291CS..Hα-helixtrans-62.6-37.1177.4-70.3-40000111.5R59 K85 D211 I216 L217 D218R59-D214 IonicContact NH2-OD1 3.9Å; R59-D214 IonicContact NH2-OD2 3.94Å; K85-D214 IonicContact NZ-OD1 2.94Å; K85-D214 PolarHBondContact NZ-OD1 3.3Å; D211-D214 HydrophobicContact CB-CB 4.22Å; D211-D214 PolarHBondContact O-N 3.45Å; D211-D214 PolarHBondContact OD1-N 3.18Å; D214-I216 PolarHBondContact O-N 3.33Å; D214-L217 PolarHBondContact O-N 2.96Å; D214-D218 PolarHBondContact O-N 3.07Å
215A88.8Confident81.8Confident19 Ų1961.7 Ų61.716%0.15732%0.317CS..Hα-helixtrans-61.9-42.8176.300000113.2I207 D211 F213 D218 V219I207-A215 HydrophobicContact CD1-CB 3.65Å; I207-A215 HydrophobicContact CG1-CB 3.77Å; I207-A215 HydrophobicContact CG2-CB 3.9Å; D211-A215 WeakPolarHBondContact O-CB 3.31Å; D211-A215 PolarHBondContact O-N 3.33Å; F213-A215 VanDerWaalsContact C-N 3.27Å; F213-A215 PolarHBondContact O-N 2.75Å; A215-D218 PolarHBondContact O-N 3.12Å; A215-V219 WeakPolarHBondContact O-CG2 3.29Å; A215-V219 PolarHBondContact O-N 3.06Å
216I89.9Confident80.8Confident0 Ų061.5 Ų61.50%032%0.323CS..Hα-helixtrans-71.9-33.2176.8-167.363.9000111.8I145 W148 L176 L179 W203 A212 F213 D214 D218 V219 I220I145-I216 HydrophobicContact CG2-CG2 3.59Å; W148-I216 HydrophobicContact CE3-CG1 4.35Å; W148-I216 HydrophobicContact CZ3-CD1 3.95Å; W148-I216 HydrophobicContact CZ3-CG1 4.02Å; L176-I216 HydrophobicContact CD2-CG1 4.25Å; L179-I216 HydrophobicContact CB-CD1 4.22Å; W203-I216 HydrophobicContact CZ2-CD1 4.3Å; A212-I216 WeakPolarHBondContact O-CG2 3.38Å; A212-I216 PolarHBondContact O-N 2.94Å; F213-I216 WeakPolarHBondContact O-CG2 3.32Å; F213-I216 PolarHBondContact O-N 2.89Å; D214-I216 PolarHBondContact O-N 3.33Å; I216-D218 VanDerWaalsContact C-N 3.31Å; I216-D218 PolarHBondContact O-N 3.37Å; I216-V219 HydrophobicContact CD1-CB 4.46Å; I216-V219 PolarHBondContact O-N 2.85Å; I216-I220 WeakPolarHBondContact O-CG1 2.92Å; I216-I220 PolarHBondContact O-N 3.16Å; I216-I220 VanDerWaalsContact O-N 3.07Å
217L92.2Very high79.6Confident5 Ų564.2 Ų64.23%0.02634%0.344CS..Hα-helixtrans-62.8-39.6172.8-64.7-180000111.2F81 K85 L87 I145 F213 D214 V219 I220 L221F81-L217 HydrophobicContact CE1-CD1 4.31Å; F81-L217 HydrophobicContact CZ-CD1 4.24Å; K85-L217 HydrophobicContact CD-CD1 4.05Å; K85-L217 HydrophobicContact CG-CD1 4.27Å; L87-L217 HydrophobicContact CD1-CB 4.16Å; L87-L217 HydrophobicContact CD1-CD2 3.57Å; L87-L217 HydrophobicContact CD1-CG 4.27Å; I145-L217 HydrophobicContact CG2-CD2 3.9Å; F213-L217 HydrophobicContact CD1-CD1 4.01Å; F213-L217 HydrophobicContact CD2-CG 4.46Å; F213-L217 HydrophobicContact CE1-CD1 3.66Å; F213-L217 HydrophobicContact CE1-CG 4.5Å; F213-L217 HydrophobicContact CE2-CD1 4.25Å; F213-L217 HydrophobicContact CE2-CD2 4.13Å; F213-L217 HydrophobicContact CE2-CG 4.28Å; F213-L217 HydrophobicContact CG-CD1 4.49Å; F213-L217 HydrophobicContact CZ-CD1 3.8Å; F213-L217 HydrophobicContact CZ-CD2 4.26Å; F213-L217 HydrophobicContact CZ-CG 4.32Å; F213-L217 VanDerWaalsContact O-CG 3.29Å; F213-L217 WeakPolarHBondContact O-CG 3.43Å; F213-L217 PolarHBondContact O-N 2.81Å; D214-L217 PolarHBondContact O-N 2.96Å; L217-V219 VanDerWaalsContact C-N 3.34Å; L217-V219 PolarHBondContact O-N 3.2Å; L217-I220 HydrophobicContact CD2-CD1 4.45Å; L217-I220 PolarHBondContact O-N 2.85Å; L217-L221 PolarHBondContact O-N 3.17Å
218D89.7Confident77.9Confident92 Ų9270.5 Ų70.549%0.49237%0.373SS..Hα-helixtrans-63.6-38.5176.7-80-11.7000112.2D214 A215 I216 L221 R222D214-D218 PolarHBondContact O-N 3.07Å; A215-D218 PolarHBondContact O-N 3.12Å; I216-D218 VanDerWaalsContact C-N 3.31Å; I216-D218 PolarHBondContact O-N 3.37Å; D218-L221 PolarHBondContact O-N 3.47Å; D218-R222 PolarHBondContact O-N 2.77Å
219V89.6Confident76.1Confident15 Ų1572.9 Ų72.99%0.09138%0.378CS..Hα-helixtrans-64.2-40.4172.9177.70000111.8L179 A183 W203 A215 I216 L217 L221 R222 P223L179-V219 HydrophobicContact CB-CG1 4.06Å; L179-V219 HydrophobicContact CD2-CG1 4.12Å; A183-V219 HydrophobicContact CB-CG1 3.88Å; A183-V219 HydrophobicContact CB-CG2 3.78Å; W203-V219 HydrophobicContact CH2-CG2 3.26Å; W203-V219 HydrophobicContact CZ2-CG2 3.51Å; W203-V219 HydrophobicContact CZ3-CG2 4.37Å; A215-V219 WeakPolarHBondContact O-CG2 3.29Å; A215-V219 PolarHBondContact O-N 3.06Å; I216-V219 HydrophobicContact CD1-CB 4.46Å; I216-V219 PolarHBondContact O-N 2.85Å; L217-V219 VanDerWaalsContact C-N 3.34Å; L217-V219 PolarHBondContact O-N 3.2Å; V219-L221 VanDerWaalsContact C-N 3.28Å; V219-L221 PolarHBondContact O-N 3.34Å; V219-R222 CarbonylContact O-C 3.56Å; V219-R222 PolarHBondContact O-N 3.11Å; V219-P223 VanDerWaalsContact O-CA 3.29Å; V219-P223 WeakPolarHBondContact O-CA 3.3Å
220I90.2Very high74.9Confident9 Ų975.2 Ų75.25%0.04638%0.38CS..Hα-helixtrans-64-39176.6-64.3164.6000110.3L87 W128 I145 L179 I216 L217L87-I220 HydrophobicContact CD2-CB 3.8Å; L87-I220 HydrophobicContact CD2-CG2 3.56Å; W128-I220 HydrophobicContact CB-CG2 3.67Å; W128-I220 HydrophobicContact CD2-CG2 3.72Å; W128-I220 HydrophobicContact CE3-CG2 3.87Å; W128-I220 HydrophobicContact CG-CG2 3.64Å; W128-I220 HydrophobicContact CZ3-CD1 4.41Å; I145-I220 HydrophobicContact CD1-CD1 3.99Å; I145-I220 HydrophobicContact CG1-CD1 4.48Å; I145-I220 HydrophobicContact CG2-CD1 4.47Å; L179-I220 HydrophobicContact CD1-CD1 4.32Å; L179-I220 HydrophobicContact CD1-CG1 3.56Å; I216-I220 WeakPolarHBondContact O-CG1 2.92Å; I216-I220 PolarHBondContact O-N 3.16Å; I216-I220 VanDerWaalsContact O-N 3.07Å; L217-I220 HydrophobicContact CD2-CD1 4.45Å; L217-I220 PolarHBondContact O-N 2.85Å
221L88.4Confident73.6Confident64 Ų6477.5 Ų77.534%0.33539%0.39SS..Hα-helixtrans-69.5-37.5179.3-17661.7000112.2G86 L87 L217 D218 V219G86-L221 WeakPolarHBondContact O-CD1 3.41Å; L87-L221 HydrophobicContact CD2-CB 3.91Å; L87-L221 HydrophobicContact CD2-CD1 4.45Å; L217-L221 PolarHBondContact O-N 3.17Å; D218-L221 PolarHBondContact O-N 3.47Å; V219-L221 VanDerWaalsContact C-N 3.28Å; V219-L221 PolarHBondContact O-N 3.34Å
222R84.6Confident71.6Confident182 Ų18281.5 Ų81.569%0.68742%0.418SS*.SBendtrans-131.274.6-176.6-57.8179.9-149.7162.410.3108.8D218 V219D218-R222 PolarHBondContact O-N 2.77Å; V219-R222 CarbonylContact O-C 3.56Å; V219-R222 PolarHBondContact O-N 3.11Å
223P76.6Confident69.9Low79 Ų7990.3 Ų90.351%0.51345%0.447SS..PPolyproline II helixtrans-59.4140.3177.524.8-32.8000108.9V219 R225V219-P223 VanDerWaalsContact O-CA 3.29Å; V219-P223 WeakPolarHBondContact O-CA 3.3Å; P223-R225 PolarHBondContact O-N 2.91Å
224P68.2Low68.2Low26 Ų2699.9 Ų99.917%0.16949%0.492CS..PPolyproline II helixtrans-58.5139.3175.726.6-34.8000109.8D182 T186 Q226D182-P224 HydrophobicContact CB-CG 3.62Å; T186-P224 HydrophobicContact CG2-CB 4.39Å; T186-P224 WeakPolarHBondContact OG1-CB 3.48Å; P224-Q226 PolarHBondContact O-N 3.07Å
225R61.9Low66.6Low223 Ų223106.1 Ų106.184%0.84253%0.525SS*.PPolyproline II helixtrans-60.7125.2179.7-65.1-175.5179.8-171.8-0.1108.7P223 D227P223-R225 PolarHBondContact O-N 2.91Å; R225-D227 PolarHBondContact O-N 3.03Å
226Q53.9Low64.7Low167 Ų167111.5 Ų111.578%0.7855%0.547SS*.THydrogen-bonded Turntrans-80.71.5174.7-66.1-172.7-47.600112.5P224P224-Q226 PolarHBondContact O-N 3.07Å
227D48.2Very low63.2Low144 Ų144116.4 Ų116.477%0.7758%0.579SS**THydrogen-bonded Turntrans-98.19.4-168.2-59-47.9000115.2R225R225-D227 PolarHBondContact O-N 3.03Å
228E41Very low61.5Low158 Ų158122 Ų12274%0.73862%0.616SS**SBendtrans-86.8121.6169-84.2-69.7135.400109.4H230E228-H230 PolarHBondContact O-N 2.85Å
229P38Very low60.4Low107 Ų107123.2 Ų123.270%0.69563%0.626SS**PPolyproline II helixtrans-55.1129.6173.7-14.926.5000108.5
230H45.9Very low58.5Low174 Ų174127.9 Ų127.981%0.80666%0.656SS**PPolyproline II helixtrans-51.9131.5170.1-105.452.4000108.6E228E228-H230 PolarHBondContact O-N 2.85Å
231P48.2Very low56.7Low104 Ų104136.7 Ų136.768%0.67570%0.698SS**PPolyproline II helixtrans-56137.216823.6-30.7000107.6R233P231-R233 PolarHBondContact O-N 3.12Å
232P43Very low54.9Low109 Ų109139.2 Ų139.271%0.70872%0.721SS**PPolyproline II helixtrans-55.5137.4-178.923.7-31.9000108.3Q234P232-Q234 PolarHBondContact O-N 2.81Å
233R50.7Low53.4Low202 Ų202137.8 Ų137.876%0.76273%0.725SS**PPolyproline II helixtrans-54.7127.7172-80.1-172.4170.3-152.7-0.6107.2P231 D235 E236P231-R233 PolarHBondContact O-N 3.12Å; R233-D235 PolarHBondContact O-N 3.11Å; R233-E236 PolarHBondContact O-N 3.04Å
234Q53.6Low51.7Low201 Ų201139.7 Ų139.794%0.93974%0.738SS**THydrogen-bonded Turntrans-63.9-3177.4-67-176.1-48.400113.1P232P232-Q234 PolarHBondContact O-N 2.81Å
235D56.3Low50.8Low149 Ų149147.7 Ų147.780%0.79777%0.773SS**THydrogen-bonded Turntrans-105.95.3176.6-58.8-49000113.9R233R233-D235 PolarHBondContact O-N 3.11Å
236E49.3Very low49.8Very low132 Ų132141.7 Ų141.762%0.61777%0.766SS**SBendtrans-85.8119.4178.3-149.5174.7137.400110.2R233R233-E236 PolarHBondContact O-N 3.04Å
237P57.9Low49.4Very low102 Ų102139.6 Ų139.666%0.66276%0.764SS**PPolyproline II helixtrans-62.8144.5-18026.2-33000109.9V239P237-V239 PolarHBondContact O-N 2.95Å; P237-V239 VanDerWaalsContact O-N 3.16Å
238P56.3Low49.4Very low124 Ų124139 Ų13981%0.80577%0.765SS**PPolyproline II helixtrans-60.6123.8-176.724.5-32.2000109.9
239V66Low49.2Very low116 Ų116136.9 Ų136.970%0.70377%0.767SS**PPolyproline II helixtrans-54.7125.4171177.70000107.8P237 Q241P237-V239 PolarHBondContact O-N 2.95Å; P237-V239 VanDerWaalsContact O-N 3.16Å; V239-Q241 PolarHBondContact O-N 3.33Å; V239-Q241 VanDerWaalsContact O-N 3.11Å
240P50.4Low49.3Very low113 Ų113143.1 Ų143.173%0.73478%0.777SS**PPolyproline II helixtrans-63.8119.2177.5-11.724.6000108.3S242P240-S242 PolarHBondContact O-N 3.49Å
241Q52.1Low48.8Very low195 Ų195139 Ų13991%0.91177%0.773SS**  trans-66.999.5170.7-70.1-177.2-500108V239 L243V239-Q241 PolarHBondContact O-N 3.33Å; V239-Q241 VanDerWaalsContact O-N 3.11Å; Q241-L243 PolarHBondContact O-N 3.17Å
242S50.1Low48.8Very low117 Ų117141.7 Ų141.782%0.81878%0.781SS**  trans-67.5121172.954.60000109.7P240P240-S242 PolarHBondContact O-N 3.49Å
243L54.2Low48.7Very low151 Ų151142.5 Ų142.579%0.79178%0.784SS**  trans-45.3151.6174.5-77.3142.7000113.8Q241 Q245Q241-L243 PolarHBondContact O-N 3.17Å; L243-Q245 PolarHBondContact O-N 3.48Å
244P40.1Very low48Very low120 Ų120139 Ų13978%0.77979%0.788SS**  trans-75111.7-178.531.7-30000108.9S246P244-S246 PolarHBondContact O-N 3.49Å
245Q50Low47.5Very low194 Ų194135.6 Ų135.691%0.90778%0.782SS**  trans-94.295163.1-68.4-162.6-5.400108.5L243L243-Q245 PolarHBondContact O-N 3.48Å
246S40.3Very low46.9Very low97 Ų97133.1 Ų133.168%0.67878%0.776SS**  trans-62.9154.4155.258.60000109.3P244P244-S246 PolarHBondContact O-N 3.49Å
247T46Very low46.8Very low123 Ų123134.2 Ų134.276%0.75579%0.785SS**  trans84.9103158.8-15.80000115.9
248V49Very low45.9Very low130 Ų130137.1 Ų137.179%0.78879%0.794SS**  145.1101.1116.6178.40000109.3
249C35.1Very low45.3Very low115 Ų115135.3 Ų135.378%0.77779%0.79SS**  trans-58133.3155.6-61.80000110.2
250R40.1Very low44.3Very low238 Ų238137.9 Ų137.990%0.89880%0.799SS**  170.9122.7120.4-97.8168.5163.8162.3-4.4111.7
251A37.3Very low43.8Very low88 Ų88137.7 Ų137.773%0.72780%0.799SS**  trans51.3131132.900000119.9
252L47Very low43.3Very low160 Ų160135.9 Ų135.984%0.83880%0.795SS**  trans151.984.7136.8-78161000107.1
253T40.6Very low43.3Very low126 Ų126136 Ų13677%0.77380%0.796SS**  57.9113.9100.458.40000115
254C36.2Very low42.8Very low127 Ų127140.5 Ų140.586%0.85880%0.802SS**  trans-44.8131167.7-174.90000114.2
255T44.4Very low42.8Very low130 Ų130141.2 Ų141.280%0.79881%0.805SS**  trans-164.8126144.736.70000110.6
256S42.7Very low42.8Very low98 Ų98140.5 Ų140.569%0.68580%0.801SS**  trans21.6141.7156.869.20000121.8
257I48.1Very low43.3Very low154 Ų154140.9 Ų140.979%0.7980%0.799SS**  175.3122.4111-85.4150.8000109.1
258D37.3Very low43.5Very low163 Ų163142.5 Ų142.587%0.87280%0.803SS**  trans-58.2123.7161.9-68.8-61.2000111
259A44.5Very low43.2Very low86 Ų86141.5 Ų141.571%0.71180%0.8SS**  trans-175.5134.5151.300000110.7
260L45.3Very low43.8Very low170 Ų170141.4 Ų141.489%0.8980%0.8SS**  trans128.664.7168.5-71.6171.3000108.5
261C40Very low44.4Very low109 Ų109139.3 Ų139.374%0.73680%0.8SS**  55.898.961.5-111.10000115.8
262L40.8Very low45.5Very low158 Ų158139.4 Ų139.483%0.82780%0.801SS**  64.3103.2128.9-69.6163.4000120.2
263S49.6Very low45.9Very low120 Ų120137.4 Ų137.484%0.83980%0.798SS**  trans174.7125.7130.630.30000106.4
264R44.3Very low47.3Very low244 Ų244137.3 Ų137.392%0.92180%0.799SS**  -175.7112.259.6-155.1173-167.4-1542.1109.4
265T40Very low47.9Very low135 Ų135135.8 Ų135.883%0.82880%0.796SS**  trans-89.6128.2157.930.40000108.7
266Q50.8Low48.6Very low180 Ų180136.1 Ų136.184%0.84180%0.798SS**  trans-166.9114.1143.5-83.8-144.5-5.500109.2
267V50.6Low48.7Very low105 Ų105136.7 Ų136.764%0.63680%0.802SS**  95.6111.199.3174.80000112.4
268N49.4Very low49.5Very low157 Ų157136.2 Ų136.284%0.8481%0.806SS**  -171.7116.5114.7-110.6-31.1000112.3
269P42.4Very low50.4Low109 Ų109133.1 Ų133.171%0.70880%0.803SS**  trans-99165.7155.335.7-24.7000110.8
270S48.1Very low51Low112 Ų112136.4 Ų136.478%0.78385%0.846SS**  trans87.8105.7168.9-166.30000116.9
271E52.2Low51.3Low194 Ų194134.8 Ų134.891%0.90784%0.843SS**  -164.8132.9108.6-129.8161.1119.100111.3
272A60.9Low51.9Low90 Ų90136.1 Ų136.174%0.74485%0.849SS**PPolyproline II helixtrans-89.8172.3-178.800000111.2
273P55.7Low52.5Low118 Ų118134.9 Ų134.977%0.76685%0.85SS**PPolyproline II helixtrans-95.6166.9-159.438.6-34.1000113.5
274P69.5Low52.6Low124 Ų124135.8 Ų135.881%0.80585%0.851SS**PPolyproline II helixtrans-103.1128.6157.133.3-24.5000111.7
275A48.6Very low53.2Low96 Ų96129 Ų12979%0.79385%0.846SS**PPolyproline II helixtrans-85.2129.5158.900000109
276T59.8Low54Low136 Ų136128.6 Ų128.683%0.83485%0.848SS**  trans-175.1114.8145.620.50000112.5
277S45.8Very low54.3Low110 Ų110124.9 Ų124.977%0.76985%0.848SS**  trans44.7112.4131.8175.90000121.1
278V63.1Low54.5Low144 Ų144126.5 Ų126.587%0.87386%0.864SS**  trans-145.2120.8138.7-1780000111.3
279A56.4Low55Low99 Ų99123.9 Ų123.982%0.81887%0.867SS**  trans10.7131.8151.400000122
280G57.3Low56.1Low155 Ų155125.3 Ų125.3100%1.59888%0.881SS**  trans167.60165.800000110.7

Retrieved 280 of 280 residues in 148.5 ms (Link to these results)