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Large ribosomal subunit protein mL66

AlphaFold DB , UniProt , Accession Q99N85, Species MOUSE (Mus musculus, Mouse), Gene Mrps18a, Length 196 aa.

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(Predicted Aligned Error values between residue pairs)
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Site Residue pLDDT pLDDT confidence pLDDT10 pLDDT10 confidence SASA SASA [Ų] SASA10 SASA10 [Ų] RSA RSA unformatted RSA10 RSA10 unformatted Surface Surface10 (not used) Disorder (not used) Disorder Sec. str. Secondary structure Isomer Phi (φ) Psi (ψ) Omega (ω) Chi 1 (χ1) Chi 2 (χ2) Chi 3 (χ3) Chi 4 (χ4) Chi 5 (χ5) Tau (τ) Contacts (colored by PAE) Contact details
1M41.6Very low43.8Very low240 Ų240153.2 Ų153.2100%1.18286%0.861SS**  0110.90-76.5-79.5-148.800108.2
2A42.6Very low43.2Very low106 Ų106146.7 Ų146.788%0.87685%0.854SS**  trans55140.7160.900000119.1
3A43.2Very low43.2Very low80 Ų80154.8 Ų154.866%0.66186%0.862SS**  cis-174.6151.90.200000109.1
4L44Very low43Very low158 Ų158155.4 Ų155.483%0.82785%0.854SS**  trans54.4107149.4-81.7108.7000120.7
5R41.1Very low42.9Very low230 Ų230153.8 Ų153.887%0.86884%0.843SS**  58.2118.577.6-76.1-167.9179-1621.1116
6R43.5Very low42.8Very low255 Ų255154.5 Ų154.596%0.96284%0.839SS**  -162.8132.5120.9-106.4172.9-173.9-173.31.8112.9
7L42.8Very low42.5Very low159 Ų159150.4 Ų150.483%0.83283%0.83SS**  trans-79.7168.9176.2-73.7155000111.7
8V51.3Low42.3Very low137 Ų137152.4 Ų152.483%0.8383%0.83SS**  trans150.2100.8134.2167.20000107
9S44.7Very low41.9Very low120 Ų120153 Ų15384%0.83983%0.831SS**  85.8127.886.2-170.80000112.7
10G43.3Very low42Very low69 Ų69150.6 Ų150.671%0.71183%0.833SS**  trans146.182.8153.300000117.6
11C43.3Very low41.9Very low131 Ų131146.6 Ų146.689%0.88583%0.826SS**  trans73.192.7137.4-135.50000119.4
12G37.1Very low42Very low75 Ų75141.7 Ų141.777%0.77381%0.812SS**  trans-93.7137.1142.600000109.8
13R43.8Very low42Very low253 Ų253141 Ų14196%0.95581%0.806SS**  trans-153.5131.2148-110.9175.6-170.9-140.51.9109.1
14Q40.5Very low42Very low162 Ų162141.8 Ų141.876%0.75781%0.813SS**  trans-103.3162.2-167.8-112.5-130.60.300109.5
15L40.1Very low41.9Very low132 Ų132140.6 Ų140.669%0.69181%0.813SS**  trans76.9141.5159.3-57.4161.1000115.6
16Q41.6Very low41.6Very low165 Ų165132.5 Ų132.577%0.77180%0.801SS**  cis-164.9155.920.6-127156.817.300109.3
17A37.8Very low41.6Very low84 Ų84130.4 Ų130.469%0.69479%0.793SS**  trans-64.1159176.300000113.7
18F38.6Very low41.2Very low188 Ų188130.7 Ų130.783%0.82580%0.795SS**  trans-176.2112.2136.2-92.9-66.4000111.5
19L36Very low41Very low163 Ų163133.7 Ų133.785%0.85379%0.791SS**  trans34.9108.6141.2-56.1172.5000120.4
20A42.6Very low41.4Very low104 Ų104134.1 Ų134.186%0.8678%0.783SS**  trans-152.3121.1150.400000110.1
21G41Very low41.9Very low67 Ų67135.7 Ų135.769%0.69178%0.781SS**  trans-65.7176.8-172.700000115.3A23G21-A23 PolarHBondContact O-N 3.15Å
22P42.6Very low42.6Very low137 Ų137134.4 Ų134.489%0.8978%0.78SS**  trans-70.9103.3-174.630.3-30.8000108.8A24P22-A24 PolarHBondContact O-N 2.95Å
23A43.3Very low43.9Very low92 Ų92142 Ų14276%0.7679%0.785SS**  trans-58.5113.4166.900000107.8G21 T25G21-A23 PolarHBondContact O-N 3.15Å; A23-T25 PolarHBondContact O-N 2.9Å; A23-T25 VanDerWaalsContact O-N 3.13Å
24A44Very low45.5Very low97 Ų97131.5 Ų131.580%0.80276%0.755SS**  trans-45.1122.317000000108.8P22 G26P22-A24 PolarHBondContact O-N 2.95Å; A24-G26 PolarHBondContact O-N 3.07Å
25T41.7Very low47.7Very low133 Ų133129 Ų12982%0.81675%0.747SS**  trans-70.761.717426.60000109.8A23 W27A23-T25 PolarHBondContact O-N 2.9Å; A23-T25 VanDerWaalsContact O-N 3.13Å; T25-W27 PolarHBondContact O-N 2.89Å
26G34.6Very low50.1Low60 Ų60131.1 Ų131.162%0.61975%0.745SS**  trans-72.1103.3161.300000107.1A24 L28A24-G26 PolarHBondContact O-N 3.07Å; G26-L28 VanDerWaalsContact C-N 3.3Å; G26-L28 PolarHBondContact O-N 2.85Å
27W42.1Very low52.5Low210 Ų210128.4 Ų128.480%0.79573%0.733SS**  trans-57.4100.9165.9-64.578000106.8T25 W29T25-W27 PolarHBondContact O-N 2.89Å; W27-W29 PolarHBondContact O-N 2.84Å
28L35.2Very low55.2Low166 Ų166129.6 Ų129.687%0.86973%0.731SS**  trans-49.9111.4171.4-82.7158000107G26 L30G26-L28 VanDerWaalsContact C-N 3.3Å; G26-L28 PolarHBondContact O-N 2.85Å; L28-L30 PolarHBondContact O-N 3.34Å
29W48Very low57.9Low199 Ų199122.5 Ų122.575%0.75470%0.703SS**  trans-57.1107.8171.2-79.953.2000105.9W27 R74W27-W29 PolarHBondContact O-N 2.84Å; W29-R74 VanDerWaalsContact CZ2-NH1 3.26Å; W29-R74 VanDerWaalsContact CZ2-NH2 3.34Å
30L51.2Low60.7Low130 Ų130121 Ų12168%0.68169%0.69SS**  trans-52131.2170.5-73.2170.8000106.4L28 A32L28-L30 PolarHBondContact O-N 3.34Å; L30-A32 PolarHBondContact O-N 3.18Å; L30-A32 VanDerWaalsContact O-N 3.07Å
31P54.6Low63.2Low101 Ų101118.5 Ų118.566%0.65666%0.661SS**  trans-52.8125.9-178.721.4-32.2000107.5R33P31-R33 VanDerWaalsContact C-N 3.29Å; P31-R33 PolarHBondContact O-N 3.37Å
32A58.1Low65.7Low104 Ų104121.6 Ų121.686%0.8666%0.658SS**  trans-58.297.417900000107.4L30 G34L30-A32 PolarHBondContact O-N 3.18Å; L30-A32 VanDerWaalsContact O-N 3.07Å; A32-G34 PolarHBondContact O-N 2.81Å
33R65.1Low68.1Low235 Ų235121.3 Ų121.389%0.88764%0.644SS**PPolyproline II helixtrans-69.4116.8173.5-66.3-174-178.6-172.9-1.1105.2P31P31-R33 VanDerWaalsContact C-N 3.29Å; P31-R33 PolarHBondContact O-N 3.37Å
34G77.5Confident70.4Confident32 Ų32120.9 Ų120.933%0.3365%0.649SS.*PPolyproline II helixtrans-53.4166.2172.900000111.5A32 R36A32-G34 PolarHBondContact O-N 2.81Å; G34-R36 PolarHBondContact O-N 2.84Å
35L85.9Confident72.7Confident110 Ų110126.5 Ų126.558%0.57666%0.655SS**EExtended strand (participates in β ladder)trans-61.7130.4173.4-68.8172.5000108T54 T56L35-T54 PolarHBondContact O-N 3.47Å; L35-T56 HydrophobicContact CB-CG2 3.83Å; L35-T56 HydrophobicContact CD1-CG2 4.11Å; L35-T56 HydrophobicContact CG-CG2 3.63Å
36R90.9Very high75.2Confident177 Ų177124.4 Ų124.467%0.66864%0.643SS**EExtended strand (participates in β ladder)trans-122129.6178.5178.8179.4168.5174.3-0.6108.7G34 R52G34-R36 PolarHBondContact O-N 2.84Å; R36-R52 CarbonylContact C-O 3.6Å; R36-R52 WeakPolarHBondContact CA-O 3.45Å
37E92.3Very high78Confident107 Ų107124.8 Ų124.850%0.563%0.633SS.*EExtended strand (participates in β ladder)trans-102143.9174.1-70.2172.3-151.900109.7G51 R52 T54E37-G51 WeakPolarHBondContact O-CA 3.45Å; E37-R52 PolarHBondContact N-O 3.48Å; E37-R52 PolarHBondContact O-N 3.46Å; E37-T54 PolarHBondContact OE1-OG1 3.37Å
38V94.4Very high80.6Confident109 Ų109117.2 Ų117.266%0.66161%0.61SS**EExtended strand (participates in β ladder)trans-106.5118175.1179.20000107.1I49 E50V38-I49 HydrophobicContact CG1-CG2 3.55Å; V38-E50 WeakPolarHBondContact CA-O 3.4Å
39V94.7Very high83.4Confident39 Ų39115 Ų11524%0.23660%0.597CS.*EExtended strand (participates in β ladder)trans-107.4128179.9-175.30000108.2I41 I49 E50 R52V39-I41 HydrophobicContact CG1-CG1 4.08Å; V39-I49 WeakPolarHBondContact O-CA 3.47Å; V39-E50 PolarHBondContact N-O 3.39Å; V39-E50 PolarHBondContact O-N 3.17Å; V39-R52 HydrophobicContact CG2-CG 4.22Å
40K94.5Very high85.6Confident133 Ų133109.2 Ų109.258%0.57858%0.579SS**EExtended strand (participates in β ladder)trans-104.8121.2175-174.9-173.3179.8-167.40108.5T47 I49K40-T47 HydrophobicContact CD-CG2 4.16Å; K40-T47 HydrophobicContact CG-CG2 3.74Å; K40-I49 HydrophobicContact CG-CG1 4.5Å
41I95.5Very high87.6Confident50 Ų50104.8 Ų104.826%0.25657%0.565SS.*EExtended strand (participates in β ladder)trans-114.5133.1177.9-57.2168.9000107.4V39 E43 T47 V48V39-I41 HydrophobicContact CG1-CG1 4.08Å; I41-E43 HydrophobicContact CG2-CG 4.21Å; I41-T47 CarbonylContact O-C 3.6Å; I41-T47 WeakPolarHBondContact O-CA 3.35Å; I41-V48 HydrophobicContact CB-CB 4.42Å; I41-V48 PolarHBondContact N-O 3.38Å; I41-V48 PolarHBondContact O-N 3.46Å
42Q94.1Very high89.3Confident132 Ų132106.2 Ų106.262%0.61756%0.557SS**EExtended strand (participates in β ladder)trans-115.3114.5177.3-69.5-171.4-37.900109.6T47Q42-T47 HydrophobicContact CG-CG2 4.35Å
43E92.8Very high90.8Very high131 Ų131108.1 Ų108.161%0.61255%0.551SS**EExtended strand (participates in β ladder)trans-11395.4177.6-69.1178.4-175.400108.5I41 K45 T46I41-E43 HydrophobicContact CG2-CG 4.21Å; E43-K45 PolarHBondContact O-N 2.84Å; E43-K45 VanDerWaalsContact O-N 3.07Å; E43-T46 PolarHBondContact N-O 2.93Å; E43-T46 PolarHBondContact O-N 2.92Å
44G91.3Very high91.9Very high83 Ų8399.2 Ų99.286%0.85652%0.523SS*.THydrogen-bonded Turntrans60.5-110.7-174.500000112.1
45K93.1Very high92.2Very high216 Ų216106.6 Ų106.694%0.93955%0.549SS*.THydrogen-bonded Turntrans-94.6-8.9177.1-64-179-177.8177.20113.4E43E43-K45 PolarHBondContact O-N 2.84Å; E43-K45 VanDerWaalsContact O-N 3.07Å
46T93Very high91.9Very high89 Ų89104.5 Ų104.555%0.54654%0.541SS..EExtended strand (participates in β ladder)trans-93.8134.3-178-55.90000109.8E43 V48E43-T46 PolarHBondContact N-O 2.93Å; E43-T46 PolarHBondContact O-N 2.92Å; T46-V48 HydrophobicContact CG2-CG2 4.4Å
47T94.6Very high91.3Very high68 Ų68101.8 Ų101.842%0.41755%0.546SS..EExtended strand (participates in β ladder)trans-112.4117.7174.3-61.10000109.1K40 I41 Q42 I49K40-T47 HydrophobicContact CD-CG2 4.16Å; K40-T47 HydrophobicContact CG-CG2 3.74Å; I41-T47 CarbonylContact O-C 3.6Å; I41-T47 WeakPolarHBondContact O-CA 3.35Å; Q42-T47 HydrophobicContact CG-CG2 4.35Å; T47-I49 HydrophobicContact CG2-CG1 4.27Å
48V95.1Very high90.4Very high51 Ų51106.3 Ų106.331%0.30956%0.564SS.*EExtended strand (participates in β ladder)trans-99.8132175.5-175.50000108.6I41 T46 E50I41-V48 HydrophobicContact CB-CB 4.42Å; I41-V48 PolarHBondContact N-O 3.38Å; I41-V48 PolarHBondContact O-N 3.46Å; T46-V48 HydrophobicContact CG2-CG2 4.4Å; V48-E50 HydrophobicContact CG1-CG 4.04Å
49I95.5Very high89Confident118 Ų118106 Ų10661%0.60557%0.573SS**EExtended strand (participates in β ladder)trans-119.2111.4178-58.1176.3000108.2V38 V39 K40 T47V38-I49 HydrophobicContact CG1-CG2 3.55Å; V39-I49 WeakPolarHBondContact O-CA 3.47Å; K40-I49 HydrophobicContact CG-CG1 4.5Å; T47-I49 HydrophobicContact CG2-CG1 4.27Å
50E94Very high87.8Confident79 Ų79109.2 Ų109.237%0.36959%0.592SS.*EExtended strand (participates in β ladder)trans-106.3151.8-178.4-61.6-177.3165.800111.4V38 V39 V48 R52V38-E50 WeakPolarHBondContact CA-O 3.4Å; V39-E50 PolarHBondContact N-O 3.39Å; V39-E50 PolarHBondContact O-N 3.17Å; V48-E50 HydrophobicContact CG1-CG 4.04Å; E50-R52 IonicContact OE2-CZ 3.84Å; E50-R52 IonicContact OE2-NE 3.59Å; E50-R52 IonicContact OE2-NH2 3.15Å; E50-R52 PolarHBondContact OE2-NH2 3.19Å; E50-R52 VanDerWaalsContact OE2-NH2 3.15Å
51G92.4Very high86.9Confident37 Ų37107.9 Ų107.938%0.38160%0.597SS.*EExtended strand (participates in β ladder)trans-111.2114.7170.300000111E37E37-G51 WeakPolarHBondContact O-CA 3.45Å
52R90.9Very high86.3Confident131 Ų131112.8 Ų112.849%0.49462%0.624SS.*EExtended strand (participates in β ladder)trans-102132.7176.1-60.7-175.6-175.9178.7-1.1109.5R36 E37 V39 E50R36-R52 CarbonylContact C-O 3.6Å; R36-R52 WeakPolarHBondContact CA-O 3.45Å; E37-R52 PolarHBondContact N-O 3.48Å; E37-R52 PolarHBondContact O-N 3.46Å; V39-R52 HydrophobicContact CG2-CG 4.22Å; E50-R52 IonicContact OE2-CZ 3.84Å; E50-R52 IonicContact OE2-NE 3.59Å; E50-R52 IonicContact OE2-NH2 3.15Å; E50-R52 PolarHBondContact OE2-NH2 3.19Å; E50-R52 VanDerWaalsContact OE2-NH2 3.15Å
53I89.5Confident86Confident143 Ų143108.4 Ų108.473%0.73361%0.607SS**EExtended strand (participates in β ladder)trans-89.5119.6174.8-61.6170.3000107
54T87.9Confident86Confident49 Ų49106 Ų10630%0.30160%0.603SS.*EExtended strand (participates in β ladder)trans-91.9143176.8-48.70000108.8L35 E37 T56L35-T54 PolarHBondContact O-N 3.47Å; E37-T54 PolarHBondContact OE1-OG1 3.37Å; T54-T56 PolarHBondContact O-N 3.19Å
55E83.7Confident86Confident187 Ų187104.2 Ų104.287%0.87457%0.574SS**PPolyproline II helixtrans-59.7131.8175.7-63.1-171.517200110.6
56T80.9Confident85.9Confident65 Ų6598.7 Ų98.740%0.39956%0.56SS.*PPolyproline II helixtrans-102.1141.9176.5550000110.5L35 T54 K58L35-T56 HydrophobicContact CB-CG2 3.83Å; L35-T56 HydrophobicContact CD1-CG2 4.11Å; L35-T56 HydrophobicContact CG-CG2 3.63Å; T54-T56 PolarHBondContact O-N 3.19Å; T56-K58 PolarHBondContact O-N 3.32Å
57P77.6Confident85.8Confident120 Ų12098.7 Ų98.778%0.77956%0.564SS**PPolyproline II helixtrans-57126.5173.325.1-33.1000109.4
58K72.2Confident85.5Confident203 Ų20395.8 Ų95.888%0.88355%0.547SS*.PPolyproline II helixtrans-68.4142.7172.1-74.4-179.6-179.3173.90108.9T56T56-K58 PolarHBondContact O-N 3.32Å
59A65.1Low85.3Confident102 Ų102100.4 Ų100.484%0.84357%0.565SS**PPolyproline II helixtrans-58.2138.7179.100000110.9
60T69.5Low85.1Confident106 Ų10694.8 Ų94.865%0.6554%0.537SS*.PPolyproline II helixtrans-62.2164.9173.3220000112.3
61P76.9Confident85.1Confident105 Ų10593 Ų9368%0.68253%0.532SS*.SBendtrans-59.1177.3-16824.1-36.8000115.3
62D82.5Confident85.3Confident153 Ų15391.2 Ų91.282%0.81851%0.514SS*.  trans-41.9127.1-170.2-61.5-44.3000113.9
63P87.6Confident85.4Confident41 Ų4186.5 Ų86.527%0.26650%0.5SS..  trans-67.9146-177.428.5-34.7000110.6N65 P66 R74P63-N65 PolarHBondContact O-N 3.19Å; P63-N65 VanDerWaalsContact O-N 3.12Å; P63-P66 HydrophobicContact CG-CB 4.35Å; P63-R74 HydrophobicContact CB-CB 4.16Å
64P92.3Very high85.6Confident80 Ų8082.7 Ų82.752%0.51948%0.477SS..SBendtrans-63.6-23.1179.826.1-34.5000112.9R74 W75P64-R74 WeakPolarHBondContact CD-O 3.46Å; P64-R74 WeakPolarHBondContact CG-O 3.45Å; P64-W75 HydrophobicContact CG-CE3 4.24Å
65N91.9Very high85.9Confident46 Ų4685.7 Ų85.725%0.24648%0.483CS..  trans-131.893.4172.3-177.33.8000110.8P63 S67 G68 R74 N76P63-N65 PolarHBondContact O-N 3.19Å; P63-N65 VanDerWaalsContact O-N 3.12Å; N65-S67 PolarHBondContact O-N 3.25Å; N65-S67 PolarHBondContact OD1-N 3.02Å; N65-S67 PolarHBondContact OD1-OG 3.49Å; N65-G68 PolarHBondContact O-N 3.09Å; N65-R74 WeakPolarHBondContact CB-O 3.21Å; N65-R74 PolarHBondContact N-O 3.21Å; N65-R74 VanDerWaalsContact O-CA 3.28Å; N65-R74 WeakPolarHBondContact O-CA 3.25Å; N65-N76 WeakPolarHBondContact CB-OD1 3.34Å
66P89.8Confident86.5Confident100 Ų10080.1 Ų80.165%0.64946%0.459SS*.THydrogen-bonded Turntrans-67.1-21.5-179.526.1-33.9000113.4P63 G68P63-P66 HydrophobicContact CG-CB 4.35Å; P66-G68 PolarHBondContact O-N 3.41Å
67S91.2Very high87.2Confident88 Ų8879.9 Ų79.962%0.61546%0.455SS*.THydrogen-bonded Turntrans-74.1-12.9179.7750000114.1N65N65-S67 PolarHBondContact O-N 3.25Å; N65-S67 PolarHBondContact OD1-N 3.02Å; N65-S67 PolarHBondContact OD1-OG 3.49Å
68G89.2Confident88Confident7 Ų778.3 Ų78.37%0.07244%0.436CS..  trans-62.6137.4-178.800000112.5N65 P66 R74N65-G68 PolarHBondContact O-N 3.09Å; P66-G68 PolarHBondContact O-N 3.41Å; G68-R74 WeakPolarHBondContact O-CG 3.39Å; G68-R74 PolarHBondContact O-NE 3.12Å; G68-R74 PolarHBondContact O-NH2 3.06Å
69Q90.6Very high89.2Confident148 Ų14871 Ų7169%0.69240%0.404SS*.SBendtrans-79.8-33.5178.5-62.7-59.8-31.500112.7
70C92.4Very high90.7Very high0 Ų072 Ų720%039%0.39CS..SBendtrans-111.2153-177.984.70000111.8I72 C73 R74 C108C70-I72 VanDerWaalsContact C-N 3.33Å; C70-I72 PolarHBondContact O-N 3.49Å; C70-C73 HydrophobicContact CB-CB 4.16Å; C70-C73 WeakPolarHBondContact CB-SG 3.42Å; C70-C73 CarbonylContact O-C 3.57Å; C70-C73 WeakPolarHBondContact O-CA 3.25Å; C70-C73 VanDerWaalsContact O-CB 3.28Å; C70-C73 WeakPolarHBondContact O-CB 3.31Å; C70-C73 PolarHBondContact O-N 3.32Å; C70-C73 WeakPolarHBondContact SG-CB 3.37Å; C70-C73 PolarHBondContact SG-N 3.35Å; C70-C73 CovalentContact SG-SG 2.07Å; C70-C73 PolarHBondContact SG-SG 2.98Å; C70-R74 WeakPolarHBondContact O-CG 3.43Å; C70-R74 PolarHBondContact O-N 2.75Å; C70-C108 HydrophobicContact CB-CB 4.3Å; C70-C108 VanDerWaalsContact CB-SG 3.55Å
71P93.7Very high92Very high41 Ų4167.1 Ų67.127%0.26636%0.36SS..Hα-helixtrans-51.4-48.1175.9-29.434.4000113.3C73 R74 W75 G106 L107P71-C73 PolarHBondContact O-N 3.07Å; P71-R74 PolarHBondContact O-N 3.07Å; P71-R74 VanDerWaalsContact O-N 3.16Å; P71-W75 PolarHBondContact O-N 3.41Å; P71-G106 VanDerWaalsContact CD-O 3.23Å; P71-G106 WeakPolarHBondContact CD-O 3.34Å; P71-L107 HydrophobicContact CB-CD2 4.49Å; P71-L107 HydrophobicContact CG-CD2 4.44Å
72I95.4Very high93Very high1 Ų164.5 Ų64.51%0.00534%0.342CS..Hα-helixtrans-59.2-37177.6-61.6-60.7000112.4C70 N76 L77 K78 Y81 L88 F92 L107 E111 I115C70-I72 VanDerWaalsContact C-N 3.33Å; C70-I72 PolarHBondContact O-N 3.49Å; I72-N76 PolarHBondContact O-N 3.09Å; I72-L77 HydrophobicContact CD1-CD1 4.47Å; I72-L77 HydrophobicContact CG2-CB 4.05Å; I72-L77 PolarHBondContact O-N 2.87Å; I72-K78 HydrophobicContact CG2-CB 4.42Å; I72-Y81 HydrophobicContact CG2-CD1 4.48Å; I72-Y81 HydrophobicContact CG2-CE1 3.97Å; I72-L88 HydrophobicContact CD1-CD1 4.04Å; I72-L88 HydrophobicContact CD1-CD2 4.15Å; I72-L88 HydrophobicContact CD1-CG 4.49Å; I72-F92 HydrophobicContact CD1-CE2 4.29Å; I72-F92 HydrophobicContact CD1-CZ 4.37Å; I72-L107 HydrophobicContact CB-CD2 4.45Å; I72-L107 HydrophobicContact CG1-CD2 3.57Å; I72-E111 HydrophobicContact CB-CG 4.44Å; I72-E111 HydrophobicContact CG2-CG 4.26Å; I72-I115 HydrophobicContact CD1-CD1 4.07Å; I72-I115 HydrophobicContact CG1-CD1 3.98Å
73C93.8Very high93.7Very high32 Ų3258.2 Ų58.222%0.21631%0.306CS..Hα-helixtrans-71.1-43.6179-48.80000110.6C70 P71 W75 N76C70-C73 HydrophobicContact CB-CB 4.16Å; C70-C73 WeakPolarHBondContact CB-SG 3.42Å; C70-C73 CarbonylContact O-C 3.57Å; C70-C73 WeakPolarHBondContact O-CA 3.25Å; C70-C73 VanDerWaalsContact O-CB 3.28Å; C70-C73 WeakPolarHBondContact O-CB 3.31Å; C70-C73 PolarHBondContact O-N 3.32Å; C70-C73 WeakPolarHBondContact SG-CB 3.37Å; C70-C73 PolarHBondContact SG-N 3.35Å; C70-C73 CovalentContact SG-SG 2.07Å; C70-C73 PolarHBondContact SG-SG 2.98Å; P71-C73 PolarHBondContact O-N 3.07Å; C73-W75 VanDerWaalsContact C-N 3.3Å; C73-W75 PolarHBondContact O-N 3.17Å; C73-N76 PolarHBondContact O-N 3.42Å; C73-N76 PolarHBondContact O-OD1 3.46Å
74R93.9Very high94.2Very high63 Ų6361.9 Ų61.924%0.23832%0.32CS..Hα-helixtrans-63.5-35.6179.2-72.1175.7-179.6-156.1-11112.9W29 P63 P64 N65 G68 C70 P71 N76W29-R74 VanDerWaalsContact CZ2-NH1 3.26Å; W29-R74 VanDerWaalsContact CZ2-NH2 3.34Å; P63-R74 HydrophobicContact CB-CB 4.16Å; P64-R74 WeakPolarHBondContact CD-O 3.46Å; P64-R74 WeakPolarHBondContact CG-O 3.45Å; N65-R74 WeakPolarHBondContact CB-O 3.21Å; N65-R74 PolarHBondContact N-O 3.21Å; N65-R74 VanDerWaalsContact O-CA 3.28Å; N65-R74 WeakPolarHBondContact O-CA 3.25Å; G68-R74 WeakPolarHBondContact O-CG 3.39Å; G68-R74 PolarHBondContact O-NE 3.12Å; G68-R74 PolarHBondContact O-NH2 3.06Å; C70-R74 WeakPolarHBondContact O-CG 3.43Å; C70-R74 PolarHBondContact O-N 2.75Å; P71-R74 PolarHBondContact O-N 3.07Å; P71-R74 VanDerWaalsContact O-N 3.16Å; R74-N76 VanDerWaalsContact C-N 3.33Å
75W94.3Very high94.4Very high112 Ų11261.1 Ų61.142%0.42431%0.312SS..THydrogen-bonded Turntrans-90.26.6178.6-71.696000113.4P64 P71 C73 L77P64-W75 HydrophobicContact CG-CE3 4.24Å; P71-W75 PolarHBondContact O-N 3.41Å; C73-W75 VanDerWaalsContact C-N 3.3Å; C73-W75 PolarHBondContact O-N 3.17Å; W75-L77 HydrophobicContact CB-CD1 3.96Å; W75-L77 HydrophobicContact CB-CG 3.91Å; W75-L77 PolarHBondContact O-N 3.08Å; W75-L77 VanDerWaalsContact O-N 3.16Å
76N94.8Very high94.7Very high70 Ų7060.9 Ų60.937%0.37431%0.312SS..THydrogen-bonded Turntrans5432.3-179.1-60.5-39.5000113.9N65 I72 C73 R74 K80N65-N76 WeakPolarHBondContact CB-OD1 3.34Å; I72-N76 PolarHBondContact O-N 3.09Å; C73-N76 PolarHBondContact O-N 3.42Å; C73-N76 PolarHBondContact O-OD1 3.46Å; R74-N76 VanDerWaalsContact C-N 3.33Å; N76-K80 WeakPolarHBondContact O-CD 3.39Å; N76-K80 WeakPolarHBondContact O-CE 3.49Å; N76-K80 PolarHBondContact O-NZ 2.76Å
77L96Very high95Very high59 Ų5963.2 Ų63.231%0.30932%0.318SS..  trans-92.5-3.8-178.5-65.9178.3000113.3I72 W75 H79 K80 Y81 L88I72-L77 HydrophobicContact CD1-CD1 4.47Å; I72-L77 HydrophobicContact CG2-CB 4.05Å; I72-L77 PolarHBondContact O-N 2.87Å; W75-L77 HydrophobicContact CB-CD1 3.96Å; W75-L77 HydrophobicContact CB-CG 3.91Å; W75-L77 PolarHBondContact O-N 3.08Å; W75-L77 VanDerWaalsContact O-N 3.16Å; L77-H79 PolarHBondContact O-N 3.03Å; L77-K80 PolarHBondContact O-N 3.33Å; L77-K80 VanDerWaalsContact O-N 3.07Å; L77-Y81 WeakPolarHBondContact O-CD1 3.34Å; L77-L88 HydrophobicContact CD1-CD1 3.88Å; L77-L88 HydrophobicContact CD1-CD2 4.24Å
78K95.6Very high95.2Very high87 Ų8760.2 Ų60.238%0.37830%0.295SS..THydrogen-bonded Turntrans-55.7130.5178.6-157.9-171.6179.5-179.20110I72 K80I72-K78 HydrophobicContact CG2-CB 4.42Å; K78-K80 PolarHBondContact O-N 2.82Å
79H96.1Very high95.6Very high49 Ų4959.9 Ų59.923%0.22729%0.291CS..THydrogen-bonded Turntrans68.46.2-178.7-51.8-77.9000116.4L77 D183 N184 V185L77-H79 PolarHBondContact O-N 3.03Å; H79-D183 PolarHBondContact ND1-O 3.32Å; H79-N184 WeakPolarHBondContact O-CA 3.34Å; H79-V185 HydrophobicContact CB-CG2 4.12Å; H79-V185 PolarHBondContact O-N 3.31Å
80K97Very high95.8Very high124 Ų12454.8 Ų54.854%0.53927%0.272SS..THydrogen-bonded Turntrans-112.2-6.2-174-62.6179.1-171.7167.40114.9N76 L77 K78 V185N76-K80 WeakPolarHBondContact O-CD 3.39Å; N76-K80 WeakPolarHBondContact O-CE 3.49Å; N76-K80 PolarHBondContact O-NZ 2.76Å; L77-K80 PolarHBondContact O-N 3.33Å; L77-K80 VanDerWaalsContact O-N 3.07Å; K78-K80 PolarHBondContact O-N 2.82Å; K80-V185 HydrophobicContact CG-CG2 4.42Å
81Y97.4Very high95.9Very high4 Ų461 Ų612%0.01630%0.301CS..  trans-107.2156.3179.767.5-90.9000112.4I72 L77 D85 L88 E111 K114 I115 N184I72-Y81 HydrophobicContact CG2-CD1 4.48Å; I72-Y81 HydrophobicContact CG2-CE1 3.97Å; L77-Y81 WeakPolarHBondContact O-CD1 3.34Å; Y81-D85 VanDerWaalsContact CA-OD2 3.28Å; Y81-D85 WeakPolarHBondContact CA-OD2 3.28Å; Y81-L88 HydrophobicContact CD1-CD2 4.21Å; Y81-L88 HydrophobicContact CD2-CD2 4.46Å; Y81-L88 HydrophobicContact CG-CD2 3.85Å; Y81-E111 VanDerWaalsContact CE1-OE2 3.24Å; Y81-E111 WeakPolarHBondContact CE1-OE2 3.27Å; Y81-E111 VanDerWaalsContact CZ-OE2 3.32Å; Y81-E111 PolarHBondContact OH-OE2 3.29Å; Y81-K114 HydrophobicContact CE2-CB 4.31Å; Y81-K114 WeakPolarHBondContact OH-CB 3.25Å; Y81-K114 WeakPolarHBondContact OH-CD 3.09Å; Y81-I115 HydrophobicContact CE2-CG1 3.94Å; Y81-N184 PolarHBondContact O-ND2 3.07Å
82T97.2Very high96Very high49 Ų4959.7 Ų59.730%0.30129%0.292SS..  trans-133.3-176.3-176.967.80000110.4E84 D85T82-E84 PolarHBondContact O-N 3.47Å; T82-E84 PolarHBondContact OG1-N 3.01Å; T82-D85 PolarHBondContact N-OD2 3.25Å; T82-D85 PolarHBondContact OG1-OD2 3.3Å
83Y97.5Very high96Very high21 Ų2160.3 Ų60.38%0.08230%0.295CS..THydrogen-bonded Turntrans-73-12.4174.775.9-73.4000112.9M121 A125 L127 L151Y83-M121 HydrophobicContact CD1-CE 3.98Å; Y83-M121 HydrophobicContact CD2-CB 4.43Å; Y83-M121 HydrophobicContact CG-CB 4.27Å; Y83-M121 HydrophobicContact CG-CE 4.04Å; Y83-A125 HydrophobicContact CE2-CB 4.3Å; Y83-L127 HydrophobicContact CD2-CD1 4.05Å; Y83-L127 HydrophobicContact CE2-CD1 4.26Å; Y83-L127 WeakPolarHBondContact O-CD1 3.45Å; Y83-L151 HydrophobicContact CD1-CD2 3.6Å; Y83-L151 HydrophobicContact CD1-CG 4.46Å; Y83-L151 HydrophobicContact CE1-CD2 3.26Å; Y83-L151 HydrophobicContact CE1-CG 3.75Å
84E97.4Very high96.1Very high119 Ų11964.7 Ų64.756%0.55631%0.307SS*.THydrogen-bonded Turntrans-84.2-19.7-178.2-60.8175.7-177.300111.9T82 V86T82-E84 PolarHBondContact O-N 3.47Å; T82-E84 PolarHBondContact OG1-N 3.01Å; E84-V86 WeakPolarHBondContact O-CG2 3.42Å; E84-V86 PolarHBondContact O-N 3.21Å
85D97.5Very high96.1Very high64 Ų6466.1 Ų66.134%0.34232%0.324SS..  trans-78.663.9-176.6-59.8-58000112.1Y81 T82 L87 L88 L89Y81-D85 VanDerWaalsContact CA-OD2 3.28Å; Y81-D85 WeakPolarHBondContact CA-OD2 3.28Å; T82-D85 PolarHBondContact N-OD2 3.25Å; T82-D85 PolarHBondContact OG1-OD2 3.3Å; D85-L87 PolarHBondContact O-N 3.49Å; D85-L88 HydrophobicContact CB-CB 4.37Å; D85-L88 PolarHBondContact O-N 3.41Å; D85-L89 WeakPolarHBondContact O-CG 3.5Å; D85-L89 PolarHBondContact O-N 2.96Å; D85-L89 VanDerWaalsContact O-N 3.08Å
86V96.8Very high96.1Very high41 Ų4166.7 Ų66.725%0.24833%0.327CS..Hα-helixtrans-56.8-35.4-173.7-175.80000112.3E84 L88 L89 S90 L127 L128E84-V86 WeakPolarHBondContact O-CG2 3.42Å; E84-V86 PolarHBondContact O-N 3.21Å; V86-L88 VanDerWaalsContact C-N 3.3Å; V86-L88 PolarHBondContact O-N 3.27Å; V86-L89 PolarHBondContact O-N 3.16Å; V86-S90 VanDerWaalsContact O-CB 3.31Å; V86-S90 WeakPolarHBondContact O-CB 3.25Å; V86-S90 PolarHBondContact O-N 3.16Å; V86-S90 PolarHBondContact O-OG 3.36Å; V86-L127 HydrophobicContact CG2-CB 3.83Å; V86-L127 HydrophobicContact CG2-CD1 4.15Å; V86-L128 HydrophobicContact CG1-CD2 3.51Å; V86-L128 HydrophobicContact CG1-CG 4.43Å
87L96.3Very high96.1Very high148 Ų14864.1 Ų64.178%0.77532%0.317SS*.Hα-helixtrans-65.5-31.8179.9-61-179.3000113.2D85 S90 Q91D85-L87 PolarHBondContact O-N 3.49Å; L87-S90 PolarHBondContact O-OG 3.39Å; L87-Q91 PolarHBondContact O-NE2 3.25Å; L87-Q91 VanDerWaalsContact O-NE2 3.12Å
88L96.2Very high96Very high25 Ų2562.8 Ų62.813%0.13132%0.317CS..Hα-helixtrans-79.4-45174.4178.465.5000110.2I72 L77 Y81 D85 V86 S90 Q91 F92I72-L88 HydrophobicContact CD1-CD1 4.04Å; I72-L88 HydrophobicContact CD1-CD2 4.15Å; I72-L88 HydrophobicContact CD1-CG 4.49Å; L77-L88 HydrophobicContact CD1-CD1 3.88Å; L77-L88 HydrophobicContact CD1-CD2 4.24Å; Y81-L88 HydrophobicContact CD1-CD2 4.21Å; Y81-L88 HydrophobicContact CD2-CD2 4.46Å; Y81-L88 HydrophobicContact CG-CD2 3.85Å; D85-L88 HydrophobicContact CB-CB 4.37Å; D85-L88 PolarHBondContact O-N 3.41Å; V86-L88 VanDerWaalsContact C-N 3.3Å; V86-L88 PolarHBondContact O-N 3.27Å; L88-S90 PolarHBondContact O-N 2.93Å; L88-Q91 PolarHBondContact O-N 3.14Å; L88-F92 HydrophobicContact CD1-CE2 4.03Å; L88-F92 HydrophobicContact CG-CE2 4.38Å; L88-F92 WeakPolarHBondContact O-CD2 3.31Å
89L97.2Very high96.1Very high0 Ų060.6 Ų60.60%031%0.309CS..Hα-helixtrans-63.5-41.6-176.9-63.6178.4000111.6D85 V86 Q91 F92 I93 I115 C118 V119 A122D85-L89 WeakPolarHBondContact O-CG 3.5Å; D85-L89 PolarHBondContact O-N 2.96Å; D85-L89 VanDerWaalsContact O-N 3.08Å; V86-L89 PolarHBondContact O-N 3.16Å; L89-Q91 PolarHBondContact O-N 3.48Å; L89-Q91 VanDerWaalsContact O-N 3.09Å; L89-F92 PolarHBondContact O-N 3.12Å; L89-I93 HydrophobicContact CB-CD1 4.32Å; L89-I93 WeakPolarHBondContact O-CD1 3.36Å; L89-I93 VanDerWaalsContact O-CG1 3.25Å; L89-I93 WeakPolarHBondContact O-CG1 3.46Å; L89-I115 HydrophobicContact CD2-CG2 4.06Å; L89-C118 HydrophobicContact CD1-CB 4.09Å; L89-C118 HydrophobicContact CD2-CB 3.7Å; L89-V119 HydrophobicContact CB-CG2 4.31Å; L89-V119 HydrophobicContact CD2-CG2 4.16Å; L89-A122 HydrophobicContact CD1-CB 4.12Å
90S95.8Very high96.1Very high42 Ų4260.5 Ų60.529%0.29431%0.31SS..G310 helixtrans-57.1-27.4-177.562.50000113.7V86 L87 L88 F92V86-S90 VanDerWaalsContact O-CB 3.31Å; V86-S90 WeakPolarHBondContact O-CB 3.25Å; V86-S90 PolarHBondContact O-N 3.16Å; V86-S90 PolarHBondContact O-OG 3.36Å; L87-S90 PolarHBondContact O-OG 3.39Å; L88-S90 PolarHBondContact O-N 2.93Å; S90-F92 VanDerWaalsContact C-N 3.26Å; S90-F92 PolarHBondContact O-N 2.94Å
91Q94.1Very high96Very high129 Ų12956.6 Ų56.660%0.60330%0.297SS*.G310 helixtrans-66.6-25.9178.6-59174.124.200113.2L87 L88 L89L87-Q91 PolarHBondContact O-NE2 3.25Å; L87-Q91 VanDerWaalsContact O-NE2 3.12Å; L88-Q91 PolarHBondContact O-N 3.14Å; L89-Q91 PolarHBondContact O-N 3.48Å; L89-Q91 VanDerWaalsContact O-N 3.09Å
92F95.7Very high95.9Very high15 Ų1562.4 Ų62.47%0.06632%0.319CS..G310 helixtrans-104.56.7-174.3-56.9-70.1000113.7I72 L88 L89 S90 M99 L100 T105 L107 I115I72-F92 HydrophobicContact CD1-CE2 4.29Å; I72-F92 HydrophobicContact CD1-CZ 4.37Å; L88-F92 HydrophobicContact CD1-CE2 4.03Å; L88-F92 HydrophobicContact CG-CE2 4.38Å; L88-F92 WeakPolarHBondContact O-CD2 3.31Å; L89-F92 PolarHBondContact O-N 3.12Å; S90-F92 VanDerWaalsContact C-N 3.26Å; S90-F92 PolarHBondContact O-N 2.94Å; F92-M99 HydrophobicContact CB-CE 3.93Å; F92-M99 HydrophobicContact CB-SD 4.42Å; F92-L100 VanDerWaalsContact O-CB 3.31Å; F92-L100 WeakPolarHBondContact O-CB 3.47Å; F92-L100 WeakPolarHBondContact O-CG 3.16Å; F92-L100 PolarHBondContact O-N 3.03Å; F92-T105 HydrophobicContact CD1-CG2 3.85Å; F92-L107 HydrophobicContact CD1-CD1 3.84Å; F92-L107 HydrophobicContact CD1-CG 4.48Å; F92-L107 HydrophobicContact CE1-CD1 3.92Å; F92-L107 HydrophobicContact CE1-CD2 4.1Å; F92-L107 HydrophobicContact CE1-CG 4.13Å; F92-L107 HydrophobicContact CG-CD1 4.27Å; F92-L107 HydrophobicContact CZ-CD1 4.42Å; F92-L107 HydrophobicContact CZ-CD2 4.16Å; F92-I115 HydrophobicContact CB-CG2 4.23Å; F92-I115 HydrophobicContact CD2-CD1 4.04Å; F92-I115 HydrophobicContact CD2-CG2 4.21Å; F92-I115 HydrophobicContact CE2-CD1 4Å; F92-I115 HydrophobicContact CG-CG2 4.47Å
93I96.1Very high95.7Very high14 Ų1469.8 Ų69.87%0.07234%0.342CS..BIsolated β-bridgetrans-115.7148.8-173.7-49.8163.4000109.6L89 G97 G98 V119 L128L89-I93 HydrophobicContact CB-CD1 4.32Å; L89-I93 WeakPolarHBondContact O-CD1 3.36Å; L89-I93 VanDerWaalsContact O-CG1 3.25Å; L89-I93 WeakPolarHBondContact O-CG1 3.46Å; I93-G97 VanDerWaalsContact CG2-C 3.41Å; I93-G98 WeakPolarHBondContact CG2-O 3.36Å; I93-V119 HydrophobicContact CD1-CB 4.33Å; I93-V119 HydrophobicContact CD1-CG1 3.77Å; I93-V119 HydrophobicContact CD1-CG2 3.63Å; I93-V119 HydrophobicContact CG1-CG1 3.97Å; I93-V119 HydrophobicContact CG1-CG2 3.74Å; I93-L128 HydrophobicContact CD1-CD1 3.71Å
94R95Very high95.4Very high123 Ų12373.7 Ų73.746%0.46437%0.367SS..  trans-73.9162.4170.4-64.5173.9-178.4-116.83.6110.9Y96 G97 G98 L100 H131R94-Y96 PolarHBondContact O-N 2.7Å; R94-Y96 VanDerWaalsContact O-N 3.09Å; R94-G97 PolarHBondContact O-N 2.96Å; R94-G98 WeakPolarHBondContact CB-O 3.39Å; R94-G98 WeakPolarHBondContact CG-O 3.18Å; R94-G98 PolarHBondContact N-O 3.27Å; R94-L100 HydrophobicContact CG-CD2 3.77Å; R94-L100 HydrophobicContact CG-CG 4.45Å; R94-H131 PolarHBondContact O-ND1 3.49Å
95P93.7Very high95.2Very high94 Ų9468.9 Ų68.961%0.6135%0.346SS*.THydrogen-bonded Turntrans-51.4-37.4173.4-28.836.2000113.6G97 H131P95-G97 VanDerWaalsContact C-N 3.33Å; P95-G97 PolarHBondContact O-N 3.15Å; P95-H131 VanDerWaalsContact O-CA 3.25Å; P95-H131 WeakPolarHBondContact O-CA 3.34Å; P95-H131 PolarHBondContact O-ND1 2.96Å
96Y94.1Very high95Very high124 Ų12467.9 Ų67.949%0.48635%0.351SS..THydrogen-bonded Turntrans-84.910.8-179.2-51.7-56.7000115.9R94 Q134R94-Y96 PolarHBondContact O-N 2.7Å; R94-Y96 VanDerWaalsContact O-N 3.09Å; Y96-Q134 HydrophobicContact CD1-CG 4.09Å; Y96-Q134 HydrophobicContact CE1-CB 4.4Å; Y96-Q134 HydrophobicContact CE1-CG 3.53Å; Y96-Q134 PolarHBondContact OH-NE2 2.7Å; Y96-Q134 PolarHBondContact OH-OE1 3.03Å
97G94.9Very high95Very high16 Ų1666.1 Ų66.117%0.16534%0.34CS..SBendtrans84.83.5-179.700000115.3I93 R94 P95 H123I93-G97 VanDerWaalsContact CG2-C 3.41Å; R94-G97 PolarHBondContact O-N 2.96Å; P95-G97 VanDerWaalsContact C-N 3.33Å; P95-G97 PolarHBondContact O-N 3.15Å; G97-H123 WeakPolarHBondContact CA-NE2 3.44Å; G97-H123 PolarHBondContact O-NE2 3.37Å
98G95.5Very high94.9Very high30 Ų3061.4 Ų61.431%0.30932%0.319SS..PPolyproline II helixtrans-79.5143176.200000112.6I93 R94I93-G98 WeakPolarHBondContact CG2-O 3.36Å; R94-G98 WeakPolarHBondContact CB-O 3.39Å; R94-G98 WeakPolarHBondContact CG-O 3.18Å; R94-G98 PolarHBondContact N-O 3.27Å
99M96.2Very high94.9Very high42 Ų4268 Ų6821%0.20734%0.342CS..BIsolated β-bridgetrans-68.4141.4176.9-170.262.9-172.600112.1F92 I115 E116 V119F92-M99 HydrophobicContact CB-CE 3.93Å; F92-M99 HydrophobicContact CB-SD 4.42Å; M99-I115 HydrophobicContact CE-CB 4.24Å; M99-I115 HydrophobicContact CE-CG2 3.61Å; M99-I115 HydrophobicContact SD-CG2 4.25Å; M99-E116 HydrophobicContact CG-CG 4.49Å; M99-V119 HydrophobicContact SD-CG2 4.39Å
100L95.8Very high94.9Very high47 Ų4773.9 Ų73.925%0.24637%0.369CS..PPolyproline II helixtrans-74.2145.7171.8-72.4176.1000111.7F92 R94 T105 H112F92-L100 VanDerWaalsContact O-CB 3.31Å; F92-L100 WeakPolarHBondContact O-CB 3.47Å; F92-L100 WeakPolarHBondContact O-CG 3.16Å; F92-L100 PolarHBondContact O-N 3.03Å; R94-L100 HydrophobicContact CG-CD2 3.77Å; R94-L100 HydrophobicContact CG-CG 4.45Å; L100-T105 HydrophobicContact CB-CG2 3.53Å; L100-T105 HydrophobicContact CD1-CG2 4.28Å; L100-H112 PolarHBondContact O-CE1 3.28Å; L100-H112 VanDerWaalsContact O-CE1 3.27Å
101P96.3Very high95Very high42 Ų4271.9 Ų71.927%0.27336%0.356SS..PPolyproline II helixtrans-63.6140.7179-20.332.3000112.8R103 V104 T105P101-R103 HydrophobicContact CB-CG 4.12Å; P101-R103 PolarHBondContact O-N 3.41Å; P101-R103 VanDerWaalsContact O-N 3.15Å; P101-V104 HydrophobicContact CB-CG2 4.27Å; P101-V104 HydrophobicContact CG-CG2 4.38Å; P101-V104 WeakPolarHBondContact O-CB 3.43Å; P101-V104 PolarHBondContact O-N 3.45Å; P101-T105 PolarHBondContact O-N 2.81Å; P101-T105 VanDerWaalsContact O-N 3.14Å
102R95Very high95.1Very high126 Ų12667.1 Ų67.148%0.47533%0.333SS..Hα-helixtrans-52.1-38.6178-169.3178.267.586.8-1.3114.3V104 T105 G106 L107 H112R102-V104 PolarHBondContact O-N 3.49Å; R102-T105 WeakPolarHBondContact CA-OG1 3.23Å; R102-T105 PolarHBondContact O-N 2.89Å; R102-T105 PolarHBondContact O-OG1 2.82Å; R102-G106 PolarHBondContact O-N 3.43Å; R102-L107 WeakPolarHBondContact CD-O 3.42Å; R102-L107 VanDerWaalsContact CG-O 3.24Å; R102-L107 WeakPolarHBondContact CG-O 3.47Å; R102-H112 HydrophobicContact CG-CB 4.21Å
103R93.1Very high95.2Very high204 Ų20472.2 Ų72.277%0.7735%0.352SS*.Hα-helixtrans-63.1-23.217967.2-178.3178.8-173.1-0.9113.7P101P101-R103 HydrophobicContact CB-CG 4.12Å; P101-R103 PolarHBondContact O-N 3.41Å; P101-R103 VanDerWaalsContact O-N 3.15Å
104V91.7Very high95.3Very high103 Ų10372 Ų7262%0.62435%0.351SS*.Hα-helixtrans-92.7-42.6178.4-177.90000110P101 R102 G106P101-V104 HydrophobicContact CB-CG2 4.27Å; P101-V104 HydrophobicContact CG-CG2 4.38Å; P101-V104 WeakPolarHBondContact O-CB 3.43Å; P101-V104 PolarHBondContact O-N 3.45Å; R102-V104 PolarHBondContact O-N 3.49Å; V104-G106 PolarHBondContact O-N 3.29Å
105T92.8Very high95.5Very high18 Ų1866.2 Ų66.211%0.1133%0.329CS..Hα-helixtrans-74.8-22.3-176.757.40000114.1F92 L100 P101 R102 L107F92-T105 HydrophobicContact CD1-CG2 3.85Å; L100-T105 HydrophobicContact CB-CG2 3.53Å; L100-T105 HydrophobicContact CD1-CG2 4.28Å; P101-T105 PolarHBondContact O-N 2.81Å; P101-T105 VanDerWaalsContact O-N 3.14Å; R102-T105 WeakPolarHBondContact CA-OG1 3.23Å; R102-T105 PolarHBondContact O-N 2.89Å; R102-T105 PolarHBondContact O-OG1 2.82Å; T105-L107 PolarHBondContact O-N 3.23Å
106G92.7Very high95.7Very high43 Ų4365 Ų6544%0.44332%0.315SS..THydrogen-bonded Turntrans7216.3-178.300000114.1P71 R102 V104P71-G106 VanDerWaalsContact CD-O 3.23Å; P71-G106 WeakPolarHBondContact CD-O 3.34Å; R102-G106 PolarHBondContact O-N 3.43Å; V104-G106 PolarHBondContact O-N 3.29Å
107L96.1Very high95.8Very high4 Ų460.3 Ų60.32%0.02130%0.297CS..  trans-77.9146.3179.6-66.8169000112.5P71 I72 F92 R102 T105 H112 I115P71-L107 HydrophobicContact CB-CD2 4.49Å; P71-L107 HydrophobicContact CG-CD2 4.44Å; I72-L107 HydrophobicContact CB-CD2 4.45Å; I72-L107 HydrophobicContact CG1-CD2 3.57Å; F92-L107 HydrophobicContact CD1-CD1 3.84Å; F92-L107 HydrophobicContact CD1-CG 4.48Å; F92-L107 HydrophobicContact CE1-CD1 3.92Å; F92-L107 HydrophobicContact CE1-CD2 4.1Å; F92-L107 HydrophobicContact CE1-CG 4.13Å; F92-L107 HydrophobicContact CG-CD1 4.27Å; F92-L107 HydrophobicContact CZ-CD1 4.42Å; F92-L107 HydrophobicContact CZ-CD2 4.16Å; R102-L107 WeakPolarHBondContact CD-O 3.42Å; R102-L107 VanDerWaalsContact CG-O 3.24Å; R102-L107 WeakPolarHBondContact CG-O 3.47Å; T105-L107 PolarHBondContact O-N 3.23Å; L107-H112 HydrophobicContact CB-CB 4.1Å; L107-I115 HydrophobicContact CD1-CD1 3.6Å; L107-I115 HydrophobicContact CD2-CD1 4.08Å
108C95.4Very high96Very high49 Ų4959.5 Ų59.533%0.33129%0.29SS..  trans-59.4152.7165.8-72.80000110.5C70 E110 E111 H112C70-C108 HydrophobicContact CB-CB 4.3Å; C70-C108 VanDerWaalsContact CB-SG 3.55Å; C108-E110 PolarHBondContact O-N 2.92Å; C108-E111 HydrophobicContact CB-CG 4.45Å; C108-E111 PolarHBondContact O-N 3.19Å; C108-H112 VanDerWaalsContact O-CB 3.3Å; C108-H112 WeakPolarHBondContact O-CB 3.14Å; C108-H112 PolarHBondContact O-N 3.31Å
109R96.7Very high96.1Very high164 Ų16458.4 Ų58.462%0.61928%0.277SS*.Hα-helixtrans-56.1-39.6-179.7-175.1-179.7-176.2-178.82.7112.6R113R109-R113 VanDerWaalsContact NH2-NH2 3.14Å; R109-R113 WeakPolarHBondContact O-CG 3.36Å; R109-R113 PolarHBondContact O-N 3.23Å
110E96.4Very high96.2Very high122 Ų12260 Ų6057%0.5728%0.282SS*.Hα-helixtrans-65.1-54.9178.6-63.1-179169.200111.8C108 H112 R113 K114C108-E110 PolarHBondContact O-N 2.92Å; E110-H112 VanDerWaalsContact C-N 3.28Å; E110-H112 PolarHBondContact O-N 3.34Å; E110-R113 PolarHBondContact O-N 3.26Å; E110-R113 VanDerWaalsContact O-N 3.14Å; E110-K114 PolarHBondContact O-N 3.06Å
111E97.1Very high96.2Very high1 Ų157.8 Ų57.81%0.00527%0.271CS..Hα-helixtrans-64.5-34.9-178.6-62-54.5132.300111.8I72 Y81 C108 R113 K114 I115I72-E111 HydrophobicContact CB-CG 4.44Å; I72-E111 HydrophobicContact CG2-CG 4.26Å; Y81-E111 VanDerWaalsContact CE1-OE2 3.24Å; Y81-E111 WeakPolarHBondContact CE1-OE2 3.27Å; Y81-E111 VanDerWaalsContact CZ-OE2 3.32Å; Y81-E111 PolarHBondContact OH-OE2 3.29Å; C108-E111 HydrophobicContact CB-CG 4.45Å; C108-E111 PolarHBondContact O-N 3.19Å; E111-R113 VanDerWaalsContact C-N 3.35Å; E111-R113 PolarHBondContact O-N 3.19Å; E111-K114 PolarHBondContact O-N 3.26Å; E111-K114 IonicContact OE1-NZ 2.9Å; E111-K114 PolarHBondContact OE1-NZ 2.97Å; E111-I115 WeakPolarHBondContact O-CB 3.39Å; E111-I115 WeakPolarHBondContact O-CG1 3.41Å; E111-I115 PolarHBondContact O-N 3.43Å
112H97.7Very high96.3Very high29 Ų2955.8 Ų55.813%0.13426%0.258CS..Hα-helixtrans-60.7-43174-169.363.9000112.2L100 R102 L107 C108 E110 E116L100-H112 PolarHBondContact O-CE1 3.28Å; L100-H112 VanDerWaalsContact O-CE1 3.27Å; R102-H112 HydrophobicContact CG-CB 4.21Å; L107-H112 HydrophobicContact CB-CB 4.1Å; C108-H112 VanDerWaalsContact O-CB 3.3Å; C108-H112 WeakPolarHBondContact O-CB 3.14Å; C108-H112 PolarHBondContact O-N 3.31Å; E110-H112 VanDerWaalsContact C-N 3.28Å; E110-H112 PolarHBondContact O-N 3.34Å; H112-E116 WeakPolarHBondContact O-CB 3.44Å; H112-E116 PolarHBondContact O-N 3.44Å
113R97.8Very high96.4Very high121 Ų12152.9 Ų52.946%0.45725%0.249SC..Hα-helixtrans-67.5-40.3176.8-73172.7169.2-177.9-6.4112.4R109 E110 E111 E116 E117 L180R109-R113 VanDerWaalsContact NH2-NH2 3.14Å; R109-R113 WeakPolarHBondContact O-CG 3.36Å; R109-R113 PolarHBondContact O-N 3.23Å; E110-R113 PolarHBondContact O-N 3.26Å; E110-R113 VanDerWaalsContact O-N 3.14Å; E111-R113 VanDerWaalsContact C-N 3.35Å; E111-R113 PolarHBondContact O-N 3.19Å; R113-E116 PolarHBondContact O-N 2.74Å; R113-E117 PolarHBondContact O-N 2.94Å; R113-E117 VanDerWaalsContact O-N 3.09Å; R113-L180 HydrophobicContact CB-CD1 4.15Å
114K97.9Very high96.5Very high11 Ų1146 Ų465%0.04822%0.223CC..Hα-helixtrans-62.9-49.2176.9-73177.5-174169.80111.1Y81 E110 E111 E116 E117 C118 L180 L181Y81-K114 HydrophobicContact CE2-CB 4.31Å; Y81-K114 WeakPolarHBondContact OH-CB 3.25Å; Y81-K114 WeakPolarHBondContact OH-CD 3.09Å; E110-K114 PolarHBondContact O-N 3.06Å; E111-K114 PolarHBondContact O-N 3.26Å; E111-K114 IonicContact OE1-NZ 2.9Å; E111-K114 PolarHBondContact OE1-NZ 2.97Å; K114-E116 PolarHBondContact O-N 2.62Å; K114-E117 PolarHBondContact O-N 2.83Å; K114-C118 PolarHBondContact O-N 2.94Å; K114-C118 PolarHBondContact O-SG 3.34Å; K114-C118 VanDerWaalsContact O-SG 3.37Å; K114-L180 VanDerWaalsContact CE-O 3.25Å; K114-L180 WeakPolarHBondContact CE-O 3.28Å; K114-L180 HydrophobicContact CG-CB 4.13Å; K114-L181 HydrophobicContact CB-CD2 3.95Å; K114-L181 HydrophobicContact CD-CD2 4.21Å; K114-L181 HydrophobicContact CG-CD2 4Å
115I97.8Very high96.8Very high0 Ų042.4 Ų42.40%021%0.205CC..Hα-helixtrans-61.4-45.1177.3-68.9167.9000110.3I72 Y81 L89 F92 M99 L107 E111 E117 C118 V119I72-I115 HydrophobicContact CD1-CD1 4.07Å; I72-I115 HydrophobicContact CG1-CD1 3.98Å; Y81-I115 HydrophobicContact CE2-CG1 3.94Å; L89-I115 HydrophobicContact CD2-CG2 4.06Å; F92-I115 HydrophobicContact CB-CG2 4.23Å; F92-I115 HydrophobicContact CD2-CD1 4.04Å; F92-I115 HydrophobicContact CD2-CG2 4.21Å; F92-I115 HydrophobicContact CE2-CD1 4Å; F92-I115 HydrophobicContact CG-CG2 4.47Å; M99-I115 HydrophobicContact CE-CB 4.24Å; M99-I115 HydrophobicContact CE-CG2 3.61Å; M99-I115 HydrophobicContact SD-CG2 4.25Å; L107-I115 HydrophobicContact CD1-CD1 3.6Å; L107-I115 HydrophobicContact CD2-CD1 4.08Å; E111-I115 WeakPolarHBondContact O-CB 3.39Å; E111-I115 WeakPolarHBondContact O-CG1 3.41Å; E111-I115 PolarHBondContact O-N 3.43Å; I115-E117 VanDerWaalsContact C-N 3.26Å; I115-E117 PolarHBondContact O-N 2.91Å; I115-C118 WeakPolarHBondContact O-CB 3.28Å; I115-C118 PolarHBondContact O-N 3.18Å; I115-C118 VanDerWaalsContact O-N 3.17Å; I115-V119 HydrophobicContact CG2-CG2 4.1Å; I115-V119 WeakPolarHBondContact O-CB 3.28Å; I115-V119 VanDerWaalsContact O-CG2 3.25Å; I115-V119 WeakPolarHBondContact O-CG2 3.37Å; I115-V119 PolarHBondContact O-N 3.44Å
116E97.9Very high96.9Very high68 Ų6843.8 Ų43.832%0.31822%0.223SC..Hα-helixtrans-55.2-42.9176.8-170.1-166.4155.300112M99 H112 R113 K114 V119 K120M99-E116 HydrophobicContact CG-CG 4.49Å; H112-E116 WeakPolarHBondContact O-CB 3.44Å; H112-E116 PolarHBondContact O-N 3.44Å; R113-E116 PolarHBondContact O-N 2.74Å; K114-E116 PolarHBondContact O-N 2.62Å; E116-V119 PolarHBondContact O-N 3.01Å; E116-K120 WeakPolarHBondContact O-CG 3.47Å; E116-K120 PolarHBondContact O-N 2.84Å; E116-K120 VanDerWaalsContact OE1-CE 3.29Å; E116-K120 WeakPolarHBondContact OE1-CE 3.24Å; E116-K120 IonicContact OE1-NZ 3.93Å; E116-K120 PolarHBondContact OE1-NZ 3.08Å
117E97.7Very high97.1Very high26 Ų2644.9 Ų44.912%0.12122%0.218CC..Hα-helixtrans-71.7-39.6177.9-164.858.4-154.400112.5R113 K114 I115 V119 K120 M121 R124 S178 L180R113-E117 PolarHBondContact O-N 2.94Å; R113-E117 VanDerWaalsContact O-N 3.09Å; K114-E117 PolarHBondContact O-N 2.83Å; I115-E117 VanDerWaalsContact C-N 3.26Å; I115-E117 PolarHBondContact O-N 2.91Å; E117-V119 VanDerWaalsContact C-N 3.32Å; E117-V119 PolarHBondContact O-N 3.16Å; E117-K120 PolarHBondContact O-N 3.24Å; E117-K120 IonicContact OE2-NZ 3.88Å; E117-M121 HydrophobicContact CG-SD 4.36Å; E117-M121 VanDerWaalsContact O-CG 3.3Å; E117-M121 WeakPolarHBondContact O-CG 3.33Å; E117-M121 PolarHBondContact O-N 2.99Å; E117-R124 IonicContact OE1-NH1 2.7Å; E117-S178 WeakPolarHBondContact CG-OG 3.23Å; E117-L180 HydrophobicContact CB-CD1 4.33Å
118C98Very high97.1Very high0 Ų045.1 Ų45.10%022%0.219CC..Hα-helixtrans-58.3-44171.8-72.40000111.6L89 K114 I115 M121 A122L89-C118 HydrophobicContact CD1-CB 4.09Å; L89-C118 HydrophobicContact CD2-CB 3.7Å; K114-C118 PolarHBondContact O-N 2.94Å; K114-C118 PolarHBondContact O-SG 3.34Å; K114-C118 VanDerWaalsContact O-SG 3.37Å; I115-C118 WeakPolarHBondContact O-CB 3.28Å; I115-C118 PolarHBondContact O-N 3.18Å; I115-C118 VanDerWaalsContact O-N 3.17Å; C118-M121 PolarHBondContact O-N 3.29Å; C118-A122 WeakPolarHBondContact O-CB 3.45Å; C118-A122 PolarHBondContact O-N 3.03Å
119V97.9Very high97.1Very high6 Ų646.2 Ų46.24%0.03623%0.226CC..Hα-helixtrans-61.5-45.1176.81700000110.7L89 I93 M99 I115 E116 E117 M121 A122 H123L89-V119 HydrophobicContact CB-CG2 4.31Å; L89-V119 HydrophobicContact CD2-CG2 4.16Å; I93-V119 HydrophobicContact CD1-CB 4.33Å; I93-V119 HydrophobicContact CD1-CG1 3.77Å; I93-V119 HydrophobicContact CD1-CG2 3.63Å; I93-V119 HydrophobicContact CG1-CG1 3.97Å; I93-V119 HydrophobicContact CG1-CG2 3.74Å; M99-V119 HydrophobicContact SD-CG2 4.39Å; I115-V119 HydrophobicContact CG2-CG2 4.1Å; I115-V119 WeakPolarHBondContact O-CB 3.28Å; I115-V119 VanDerWaalsContact O-CG2 3.25Å; I115-V119 WeakPolarHBondContact O-CG2 3.37Å; I115-V119 PolarHBondContact O-N 3.44Å; E116-V119 PolarHBondContact O-N 3.01Å; E117-V119 VanDerWaalsContact C-N 3.32Å; E117-V119 PolarHBondContact O-N 3.16Å; V119-M121 VanDerWaalsContact C-N 3.33Å; V119-M121 PolarHBondContact O-N 3.29Å; V119-A122 PolarHBondContact O-N 3.34Å; V119-H123 PolarHBondContact O-CD2 2.55Å; V119-H123 PolarHBondContact O-N 3.44Å
120K97.5Very high97Very high76 Ų7645.3 Ų45.333%0.3323%0.233SC..Hα-helixtrans-59.7-43.2174.8-72.5169.2-172.8164.90111.8E116 E117 R124E116-K120 WeakPolarHBondContact O-CG 3.47Å; E116-K120 PolarHBondContact O-N 2.84Å; E116-K120 VanDerWaalsContact OE1-CE 3.29Å; E116-K120 WeakPolarHBondContact OE1-CE 3.24Å; E116-K120 IonicContact OE1-NZ 3.93Å; E116-K120 PolarHBondContact OE1-NZ 3.08Å; E117-K120 PolarHBondContact O-N 3.24Å; E117-K120 IonicContact OE2-NZ 3.88Å; K120-R124 WeakPolarHBondContact O-CD 3.33Å; K120-R124 VanDerWaalsContact O-CG 3.23Å; K120-R124 WeakPolarHBondContact O-CG 3.49Å; K120-R124 PolarHBondContact O-N 2.87Å
121M97.7Very high97Very high1 Ų141.8 Ų41.81%0.00522%0.217CC..Hα-helixtrans-64.7-44.6176.8-70.416864.100111.6Y83 E117 C118 V119 R124 A125 L151Y83-M121 HydrophobicContact CD1-CE 3.98Å; Y83-M121 HydrophobicContact CD2-CB 4.43Å; Y83-M121 HydrophobicContact CG-CB 4.27Å; Y83-M121 HydrophobicContact CG-CE 4.04Å; E117-M121 HydrophobicContact CG-SD 4.36Å; E117-M121 VanDerWaalsContact O-CG 3.3Å; E117-M121 WeakPolarHBondContact O-CG 3.33Å; E117-M121 PolarHBondContact O-N 2.99Å; C118-M121 PolarHBondContact O-N 3.29Å; V119-M121 VanDerWaalsContact C-N 3.33Å; V119-M121 PolarHBondContact O-N 3.29Å; M121-R124 PolarHBondContact O-N 3.07Å; M121-A125 WeakPolarHBondContact O-CB 3.24Å; M121-A125 PolarHBondContact O-N 3.3Å; M121-L151 HydrophobicContact CE-CB 4.35Å; M121-L151 HydrophobicContact CE-CD2 3.52Å; M121-L151 HydrophobicContact CE-CG 4.48Å
122A97.8Very high96.8Very high0 Ų048.9 Ų48.90%024%0.243CC..Hα-helixtrans-62.3-43.317900000112.5L89 C118 V119 R124 A125 G126 L127 L128L89-A122 HydrophobicContact CD1-CB 4.12Å; C118-A122 WeakPolarHBondContact O-CB 3.45Å; C118-A122 PolarHBondContact O-N 3.03Å; V119-A122 PolarHBondContact O-N 3.34Å; A122-R124 PolarHBondContact O-N 2.91Å; A122-A125 PolarHBondContact O-N 3.33Å; A122-G126 PolarHBondContact O-N 2.9Å; A122-L127 HydrophobicContact CB-CB 4.37Å; A122-L127 HydrophobicContact CB-CD1 4.26Å; A122-L127 PolarHBondContact O-N 3.17Å; A122-L127 VanDerWaalsContact O-N 3.07Å; A122-L128 HydrophobicContact CB-CD1 4.17Å
123H96.9Very high96.5Very high64 Ų6451.8 Ų51.830%0.29627%0.265SS..Hα-helixtrans-61.6-41.7173.9-82-64000112.5G97 V119 A125 G126 H131G97-H123 WeakPolarHBondContact CA-NE2 3.44Å; G97-H123 PolarHBondContact O-NE2 3.37Å; V119-H123 PolarHBondContact O-CD2 2.55Å; V119-H123 PolarHBondContact O-N 3.44Å; H123-A125 VanDerWaalsContact C-N 3.33Å; H123-G126 PolarHBondContact O-N 3.37Å; H123-H131 PolarHBondContact CE1-O 3.48Å
124R96.1Very high96.1Very high59 Ų5953 Ų5322%0.22328%0.276CS..Hα-helixtrans-68.8-33.7177.8-68.4167.2-169.5151.5-3.4112.1E117 K120 M121 A122 G126 R149 T152 R153E117-R124 IonicContact OE1-NH1 2.7Å; K120-R124 WeakPolarHBondContact O-CD 3.33Å; K120-R124 VanDerWaalsContact O-CG 3.23Å; K120-R124 WeakPolarHBondContact O-CG 3.49Å; K120-R124 PolarHBondContact O-N 2.87Å; M121-R124 PolarHBondContact O-N 3.07Å; A122-R124 PolarHBondContact O-N 2.91Å; R124-G126 VanDerWaalsContact C-N 3.29Å; R124-R149 VanDerWaalsContact O-CD 3.25Å; R124-R149 WeakPolarHBondContact O-CD 3.3Å; R124-R149 WeakPolarHBondContact O-CG 3.08Å; R124-T152 WeakPolarHBondContact CB-OG1 3.36Å; R124-T152 WeakPolarHBondContact CD-OG1 3.45Å; R124-T152 PolarHBondContact NH1-O 3.46Å; R124-R153 PolarHBondContact NH1-O 2.79Å; R124-R153 PolarHBondContact NH2-O 3.31Å
125A96.7Very high95.8Very high28 Ų2857.6 Ų57.623%0.23130%0.3CS..Hα-helixtrans-76.3-14.9176.100000113.6Y83 M121 A122 H123 L127 R149Y83-A125 HydrophobicContact CE2-CB 4.3Å; M121-A125 WeakPolarHBondContact O-CB 3.24Å; M121-A125 PolarHBondContact O-N 3.3Å; A122-A125 PolarHBondContact O-N 3.33Å; H123-A125 VanDerWaalsContact C-N 3.33Å; A125-L127 HydrophobicContact CB-CD1 4.47Å; A125-L127 HydrophobicContact CB-CG 4.16Å; A125-R149 VanDerWaalsContact CA-O 3.27Å; A125-R149 WeakPolarHBondContact CA-O 3.3Å
126G95.6Very high95.6Very high47 Ų4761.8 Ų61.849%0.48533%0.327SS..THydrogen-bonded Turntrans85.717178.200000114.6A122 H123 R124 L128A122-G126 PolarHBondContact O-N 2.9Å; H123-G126 PolarHBondContact O-N 3.37Å; R124-G126 VanDerWaalsContact C-N 3.29Å; G126-L128 VanDerWaalsContact C-N 3.29Å; G126-L128 PolarHBondContact O-N 2.89Å
127L97Very high95.2Very high66 Ų6668 Ų6835%0.34636%0.356SS..  trans-74.5-16-177.2-61.4178.5000114.1Y83 V86 A122 A125 P129Y83-L127 HydrophobicContact CD2-CD1 4.05Å; Y83-L127 HydrophobicContact CE2-CD1 4.26Å; Y83-L127 WeakPolarHBondContact O-CD1 3.45Å; V86-L127 HydrophobicContact CG2-CB 3.83Å; V86-L127 HydrophobicContact CG2-CD1 4.15Å; A122-L127 HydrophobicContact CB-CB 4.37Å; A122-L127 HydrophobicContact CB-CD1 4.26Å; A122-L127 PolarHBondContact O-N 3.17Å; A122-L127 VanDerWaalsContact O-N 3.07Å; A125-L127 HydrophobicContact CB-CD1 4.47Å; A125-L127 HydrophobicContact CB-CG 4.16Å; L127-P129 VanDerWaalsContact C-CD 3.41Å; L127-P129 WeakPolarHBondContact O-CD 3.29Å
128L95.9Very high94.7Very high9 Ų970.6 Ų70.65%0.04739%0.39CS..  trans-116.771.3-176.6-67.4168.9000111V86 I93 A122 G126 H131V86-L128 HydrophobicContact CG1-CD2 3.51Å; V86-L128 HydrophobicContact CG1-CG 4.43Å; I93-L128 HydrophobicContact CD1-CD1 3.71Å; A122-L128 HydrophobicContact CB-CD1 4.17Å; G126-L128 VanDerWaalsContact C-N 3.29Å; G126-L128 PolarHBondContact O-N 2.89Å; L128-H131 HydrophobicContact CB-CB 4.25Å; L128-H131 PolarHBondContact O-N 3.28Å
129P94.9Very high94.2Very high72 Ų7273.9 Ų73.947%0.46841%0.413SS..SBendtrans-69-34.1-175.827-34.7000113.4L127 H131 R132L127-P129 VanDerWaalsContact C-CD 3.41Å; L127-P129 WeakPolarHBondContact O-CD 3.29Å; P129-H131 VanDerWaalsContact C-N 3.31Å; P129-R132 WeakPolarHBondContact O-CG 3.43Å; P129-R132 PolarHBondContact O-NE 3.22Å
130N95.2Very high93.6Very high146 Ų14681.2 Ų81.278%0.78145%0.451SS*.SBendtrans-77.6-17.7-178.1-61.1-17.1000112.8R132N130-R132 PolarHBondContact O-N 3.09Å
131H94.9Very high93.2Very high47 Ų4782.4 Ų82.422%0.21847%0.466CS..  trans-100.665.4-177-60.5-80.7000111.6R94 P95 H123 L128 P129R94-H131 PolarHBondContact O-ND1 3.49Å; P95-H131 VanDerWaalsContact O-CA 3.25Å; P95-H131 WeakPolarHBondContact O-CA 3.34Å; P95-H131 PolarHBondContact O-ND1 2.96Å; H123-H131 PolarHBondContact CE1-O 3.48Å; L128-H131 HydrophobicContact CB-CB 4.25Å; L128-H131 PolarHBondContact O-N 3.28Å; P129-H131 VanDerWaalsContact C-N 3.31Å
132R92.9Very high92.8Very high150 Ų15090.7 Ų90.757%0.56650%0.502SS*.  trans-110.4150.9177.7-70.4-178.3-176.91747.9110.7P129 N130P129-R132 WeakPolarHBondContact O-CG 3.43Å; P129-R132 PolarHBondContact O-NE 3.22Å; N130-R132 PolarHBondContact O-N 3.09Å
133P92.8Very high92.3Very high91 Ų9198.8 Ų98.859%0.59155%0.545SS*.PPolyproline II helixtrans-61.7139.9170.827.3-34.2000109.7L135P133-L135 PolarHBondContact O-N 3.47Å
134Q90Very high91.9Very high145 Ų145102.4 Ų102.468%0.67856%0.56SS**PPolyproline II helixtrans-64.8131.2169.1-77.2173.2-7.800109.2Y96Y96-Q134 HydrophobicContact CD1-CG 4.09Å; Y96-Q134 HydrophobicContact CE1-CB 4.4Å; Y96-Q134 HydrophobicContact CE1-CG 3.53Å; Y96-Q134 PolarHBondContact OH-NE2 2.7Å; Y96-Q134 PolarHBondContact OH-OE1 3.03Å
135L91.2Very high91.6Very high108 Ų108105 Ų10557%0.56559%0.585SS**PPolyproline II helixtrans-85.8142.7173.2-64.7174.9000108.7P133P133-L135 PolarHBondContact O-N 3.47Å
136P92.6Very high91.2Very high88 Ų88112.3 Ų112.357%0.57161%0.612SS**PPolyproline II helixtrans-63.1154.8171.528.4-33.7000110.3G138 C139P136-G138 PolarHBondContact O-N 2.77Å; P136-C139 HydrophobicContact CG-CB 4.05Å; P136-C139 WeakPolarHBondContact O-CB 3.49Å; P136-C139 PolarHBondContact O-N 2.85Å
137E89.4Confident91.1Very high198 Ų198115.8 Ų115.893%0.92562%0.618SS**THydrogen-bonded Turntrans-54.5138.6178.6-64.1176.6-170.700111C139E137-C139 VanDerWaalsContact C-N 3.31Å; E137-C139 PolarHBondContact O-N 2.72Å
138G88.8Confident91.1Very high81 Ų81120.5 Ų120.584%0.83564%0.644SS**THydrogen-bonded Turntrans81.7-8.8-178.100000116.3P136 L140P136-G138 PolarHBondContact O-N 2.77Å; G138-L140 PolarHBondContact O-N 3.4Å
139C86.8Confident91.1Very high70 Ų70124.1 Ų124.147%0.47366%0.657SS.*  trans-90.493.8178.8-72.80000112.5P136 E137P136-C139 HydrophobicContact CG-CB 4.05Å; P136-C139 WeakPolarHBondContact O-CB 3.49Å; P136-C139 PolarHBondContact O-N 2.85Å; E137-C139 VanDerWaalsContact C-N 3.31Å; E137-C139 PolarHBondContact O-N 2.72Å
140L86Confident91.3Very high160 Ų160128.5 Ų128.584%0.83867%0.665SS**PPolyproline II helixtrans-82.9135.3172.3-61.4178.2000111.5G138 K142G138-L140 PolarHBondContact O-N 3.4Å; L140-K142 PolarHBondContact O-N 3.06Å
141P87.4Confident91.3Very high100 Ų100124 Ų12465%0.64964%0.641SS**PPolyproline II helixtrans-68131.9176.927.4-32.8000110.8
142K89Confident91.4Very high175 Ų175123.3 Ų123.376%0.76164%0.64SS**PPolyproline II helixtrans-61.9140.9174.4-62.3-173.7177.6-170.10111.3L140 K144L140-K142 PolarHBondContact O-N 3.06Å; K142-K144 HydrophobicContact CB-CG 4.46Å; K142-K144 PolarHBondContact O-N 3.01Å
143D87.5Confident91.6Very high170 Ų170117.2 Ų117.291%0.90962%0.617SS**  trans-68.597.7171.6-62.3-42.7000110.1
144K89Confident91.8Very high140 Ų140120.1 Ų120.161%0.60962%0.616SS**  trans-113.9143.4173-65.3-178.5-178.6-177.10108.6K142 K146K142-K144 HydrophobicContact CB-CG 4.46Å; K142-K144 PolarHBondContact O-N 3.01Å; K144-K146 PolarHBondContact O-N 2.95Å
145P90.6Very high92.1Very high113 Ų113115.2 Ų115.273%0.73460%0.6SS**  trans-58.4119.6172.924.5-32.9000109.2L147P145-L147 PolarHBondContact O-N 3.23Å; P145-L147 VanDerWaalsContact O-N 3.16Å
146K87.9Confident92.3Very high183 Ų183113.4 Ų113.480%0.79660%0.595SS**  trans-78.699.9176.3-70.4177.5-174.4162.80108.1K144 N148K144-K146 PolarHBondContact O-N 2.95Å; K146-N148 PolarHBondContact O-N 2.9Å
147L94.1Very high92.3Very high120 Ų120118.9 Ų118.963%0.62861%0.61SS**  trans-76.6118.3176.2-55.6177.1000110.3P145 R149P145-L147 PolarHBondContact O-N 3.23Å; P145-L147 VanDerWaalsContact O-N 3.16Å; L147-R149 PolarHBondContact O-N 3.48Å; L147-R149 PolarHBondContact O-NE 2.07Å
148N96.4Very high92.6Very high165 Ų165113.3 Ų113.388%0.88259%0.593SS**  trans-58.7132.1172.5-65.3-21.2000109.8K146K146-N148 PolarHBondContact O-N 2.9Å
149R96.7Very high93Very high85 Ų85113.5 Ų113.532%0.32158%0.578SS.*  trans-150.8151.3-179.469.9-168.672.6-149.85.8109.5R124 A125 L147 T152R124-R149 VanDerWaalsContact O-CD 3.25Å; R124-R149 WeakPolarHBondContact O-CD 3.3Å; R124-R149 WeakPolarHBondContact O-CG 3.08Å; A125-R149 VanDerWaalsContact CA-O 3.27Å; A125-R149 WeakPolarHBondContact CA-O 3.3Å; L147-R149 PolarHBondContact O-N 3.48Å; L147-R149 PolarHBondContact O-NE 2.07Å; R149-T152 HydrophobicContact CB-CG2 3.78Å; R149-T152 HydrophobicContact CG-CG2 3.91Å
150Y97.3Very high93.5Very high164 Ų164118.9 Ų118.964%0.64359%0.593SS**  trans-146.9164.1174.360.8-84.9000108.8T152Y150-T152 WeakPolarHBondContact O-CG2 3.16Å; Y150-T152 PolarHBondContact O-N 3.15Å
151L96.7Very high94Very high52 Ų52115.1 Ų115.127%0.27258%0.578SS.*SBendtrans51.729.7-179.8-68170.1000115.1Y83 M121 R153 V176 G177Y83-L151 HydrophobicContact CD1-CD2 3.6Å; Y83-L151 HydrophobicContact CD1-CG 4.46Å; Y83-L151 HydrophobicContact CE1-CD2 3.26Å; Y83-L151 HydrophobicContact CE1-CG 3.75Å; M121-L151 HydrophobicContact CE-CB 4.35Å; M121-L151 HydrophobicContact CE-CD2 3.52Å; M121-L151 HydrophobicContact CE-CG 4.48Å; L151-R153 PolarHBondContact O-N 3.18Å; L151-V176 HydrophobicContact CB-CG1 3.76Å; L151-V176 HydrophobicContact CD1-CG1 4.12Å; L151-G177 PolarHBondContact O-N 2.94Å
152T97.2Very high94.4Very high31 Ų31114.2 Ų114.219%0.1957%0.567CS.*  trans-84.3115.7-174.755.60000112.5R124 R149 Y150R124-T152 WeakPolarHBondContact CB-OG1 3.36Å; R124-T152 WeakPolarHBondContact CD-OG1 3.45Å; R124-T152 PolarHBondContact NH1-O 3.46Å; R149-T152 HydrophobicContact CB-CG2 3.78Å; R149-T152 HydrophobicContact CG-CG2 3.91Å; Y150-T152 WeakPolarHBondContact O-CG2 3.16Å; Y150-T152 PolarHBondContact O-N 3.15Å
153R96.9Very high94.8Very high22 Ų22115.9 Ų115.98%0.08357%0.57CS.*  trans-75.8-42.3178.6-171.9-178.1-59.3162.68.8114.3R124 L151 A175 V176 G177 M194R124-R153 PolarHBondContact NH1-O 2.79Å; R124-R153 PolarHBondContact NH2-O 3.31Å; L151-R153 PolarHBondContact O-N 3.18Å; R153-A175 VanDerWaalsContact NH1-CB 3.29Å; R153-V176 PolarHBondContact NH2-O 2.99Å; R153-V176 VanDerWaalsContact NH2-O 3.14Å; R153-G177 WeakPolarHBondContact CB-O 3.42Å; R153-G177 VanDerWaalsContact CZ-O 3.26Å; R153-G177 PolarHBondContact NE-O 3.42Å; R153-G177 PolarHBondContact NH2-O 3.23Å; R153-M194 PolarHBondContact NH2-O 3.14Å
154W97.2Very high95.2Very high153 Ų153116.7 Ų116.758%0.5857%0.565SS**SBendtrans-100.3156.7-172.8-57.6120.3000111.9V159W154-V159 HydrophobicContact CB-CG2 3.4Å; W154-V159 HydrophobicContact CG-CG2 4.08Å
155A95.9Very high95.5Very high41 Ų41114.6 Ų114.634%0.33956%0.556SS.*  trans-67134.8171.900000109.3K157 S158A155-K157 PolarHBondContact O-N 3.04Å; A155-S158 PolarHBondContact O-N 3.23Å; A155-S158 PolarHBondContact O-OG 3.27Å
156P94Very high95.7Very high70 Ų70111.3 Ų111.346%0.45554%0.543SS..THydrogen-bonded Turntrans-57.4-30.4-175.3-29.437.7000114.6
157K93.3Very high96.1Very high203 Ų203108.4 Ų108.488%0.88353%0.532SS*.THydrogen-bonded Turntrans-82.5-15.2-179.1-64.1-176.8178.7178.40114.1A155A155-K157 PolarHBondContact O-N 3.04Å
158S96.5Very high96.2Very high82 Ų82113.9 Ų113.957%0.57354%0.544SS*.THydrogen-bonded Turntrans-95.2-10-175.667.20000113.4A155A155-S158 PolarHBondContact O-N 3.23Å; A155-S158 PolarHBondContact O-OG 3.27Å
159V96.2Very high96.1Very high85 Ų85115.9 Ų115.952%0.51554%0.539SS..PPolyproline II helixtrans-93.4125.8-176.2-177.30000109.6W154W154-V159 HydrophobicContact CB-CG2 3.4Å; W154-V159 HydrophobicContact CG-CG2 4.08Å
160K97Very high96Very high182 Ų182116 Ų11679%0.79155%0.547SS*.PPolyproline II helixtrans-88.3146.5170-66.2-177.9-180-179.90110
161P96.9Very high96Very high81 Ų81113 Ų11353%0.52654%0.537SS..PPolyproline II helixtrans-63.2144.6173.628-35.3000111Y163P161-Y163 HydrophobicContact CG-CE1 4.01Å; P161-Y163 HydrophobicContact CG-CE2 3.83Å; P161-Y163 WeakPolarHBondContact CG-OH 3.25Å; P161-Y163 PolarHBondContact O-N 2.89Å
162I96.1Very high95.9Very high82 Ų82113.9 Ų113.942%0.42154%0.544SS..  trans-86.596.1176.2-59.3165.9000107.9K164 V172 M174I162-K164 WeakPolarHBondContact CG2-O 3.38Å; I162-V172 HydrophobicContact CD1-CB 4.36Å; I162-V172 HydrophobicContact CD1-CG1 3.71Å; I162-V172 HydrophobicContact CG1-CG1 4.37Å; I162-V172 HydrophobicContact CG2-CB 4.26Å; I162-V172 HydrophobicContact CG2-CG1 4.44Å; I162-M174 HydrophobicContact CD1-CG 4.26Å
163Y96.9Very high95.8Very high209 Ų209114 Ų11482%0.8255%0.552SS**SBendtrans-70.7-35.1178.7-63.2-70.5000113P161P161-Y163 HydrophobicContact CG-CE1 4.01Å; P161-Y163 HydrophobicContact CG-CE2 3.83Å; P161-Y163 WeakPolarHBondContact CG-OH 3.25Å; P161-Y163 PolarHBondContact O-N 2.89Å
164K96.4Very high95.8Very high187 Ų187117.8 Ų117.881%0.81357%0.572SS**  trans-118.7106.1179.5-63.5-177.9-178.1-178.50109.3I162I162-K164 WeakPolarHBondContact CG2-O 3.38Å
165K95.1Very high95.8Very high97 Ų97112 Ų11242%0.42256%0.556SS.*  trans-75.5-22.7-176-158.9176.1-164.5175.50113.9K171 V172K165-K171 HydrophobicContact CD-CG 4.45Å; K165-K171 HydrophobicContact CG-CG 4.09Å; K165-K171 CarbonylContact O-C 3.56Å; K165-K171 WeakPolarHBondContact O-CA 3.48Å; K165-V172 PolarHBondContact O-N 3.17Å
166G94.9Very high95.9Very high43 Ų43112 Ų11244%0.44355%0.552SS.*  trans82.6166.7-169.800000112.7
167H95.8Very high96Very high122 Ų122109 Ų10957%0.56553%0.533SS*.  trans-76.4178.1171.8-64.3-79000111W169 N170 K171H167-W169 VanDerWaalsContact C-N 3.28Å; H167-W169 HydrophobicContact CB-CD2 3.89Å; H167-W169 HydrophobicContact CB-CE3 3.96Å; H167-W169 HydrophobicContact CB-CH2 3.55Å; H167-W169 HydrophobicContact CB-CZ2 3.46Å; H167-W169 VanDerWaalsContact CB-CZ2 3.46Å; H167-W169 HydrophobicContact CB-CZ3 3.8Å; H167-W169 AromaticContact CD2-CZ2 3.73Å; H167-W169 AromaticContact CG-CH2 3.67Å; H167-W169 AromaticContact CG-CZ2 3.6Å; H167-W169 PolarHBondContact O-N 3.19Å; H167-N170 WeakPolarHBondContact CA-OD1 3.47Å; H167-N170 PolarHBondContact N-OD1 3.13Å; H167-N170 CarbonylContact O-C 3.59Å; H167-N170 PolarHBondContact O-N 3.47Å; H167-N170 PolarHBondContact O-OD1 3.17Å; H167-K171 WeakPolarHBondContact O-CA 3.49Å; H167-K171 WeakPolarHBondContact O-CB 3.45Å; H167-K171 PolarHBondContact O-N 3.36Å
168R96.1Very high96.1Very high235 Ų23599.5 Ų99.589%0.88749%0.493SS*.G310 helixtrans-56-38.8-175.1-172.6-178.8-68.2-173.50.1113.3
169W95.2Very high96.1Very high207 Ų20798.5 Ų98.578%0.78448%0.484SS*.G310 helixtrans-80-16.5-177.356.487.7000114.5H167H167-W169 VanDerWaalsContact C-N 3.28Å; H167-W169 HydrophobicContact CB-CD2 3.89Å; H167-W169 HydrophobicContact CB-CE3 3.96Å; H167-W169 HydrophobicContact CB-CH2 3.55Å; H167-W169 HydrophobicContact CB-CZ2 3.46Å; H167-W169 VanDerWaalsContact CB-CZ2 3.46Å; H167-W169 HydrophobicContact CB-CZ3 3.8Å; H167-W169 AromaticContact CD2-CZ2 3.73Å; H167-W169 AromaticContact CG-CH2 3.67Å; H167-W169 AromaticContact CG-CZ2 3.6Å; H167-W169 PolarHBondContact O-N 3.19Å
170N95.2Very high96.1Very high89 Ų8998.1 Ų98.148%0.47648%0.479SS..G310 helixtrans-133.332.8-179.566.3-9.3000112.3H167 V172H167-N170 WeakPolarHBondContact CA-OD1 3.47Å; H167-N170 PolarHBondContact N-OD1 3.13Å; H167-N170 CarbonylContact O-C 3.59Å; H167-N170 PolarHBondContact O-N 3.47Å; H167-N170 PolarHBondContact O-OD1 3.17Å; N170-V172 PolarHBondContact O-N 3.21Å
171K95.8Very high96.1Very high101 Ų10190 Ų9044%0.43944%0.444SS..  trans-68.7127.9-176.5-171.1-176.3174.1-166.60110.9K165 H167 G173K165-K171 HydrophobicContact CD-CG 4.45Å; K165-K171 HydrophobicContact CG-CG 4.09Å; K165-K171 CarbonylContact O-C 3.56Å; K165-K171 WeakPolarHBondContact O-CA 3.48Å; H167-K171 WeakPolarHBondContact O-CA 3.49Å; H167-K171 WeakPolarHBondContact O-CB 3.45Å; H167-K171 PolarHBondContact O-N 3.36Å; K171-G173 PolarHBondContact O-N 3.35Å
172V95.8Very high96Very high69 Ų6992.8 Ų92.842%0.41845%0.448SS..  trans-74.4109.9172.3-173.70000109.3I162 K165 N170I162-V172 HydrophobicContact CD1-CB 4.36Å; I162-V172 HydrophobicContact CD1-CG1 3.71Å; I162-V172 HydrophobicContact CG1-CG1 4.37Å; I162-V172 HydrophobicContact CG2-CB 4.26Å; I162-V172 HydrophobicContact CG2-CG1 4.44Å; K165-V172 PolarHBondContact O-N 3.17Å; N170-V172 PolarHBondContact O-N 3.21Å
173G94.5Very high95.9Very high35 Ų3593.1 Ų93.136%0.36145%0.451SS..PPolyproline II helixtrans-77.4143.9177.700000112.7K171K171-G173 PolarHBondContact O-N 3.35Å
174M97Very high95.9Very high100 Ų10084.2 Ų84.249%0.49342%0.417SS..PPolyproline II helixtrans-89.5122.7175.4-65.8177.7-65.600110.1I162 V176 M195 H196I162-M174 HydrophobicContact CD1-CG 4.26Å; M174-V176 PolarHBondContact O-N 2.73Å; M174-M195 CarbonylContact O-C 3.45Å; M174-M195 WeakPolarHBondContact O-CA 3.39Å; M174-H196 PolarHBondContact N-O 2.76Å; M174-H196 PolarHBondContact O-N 2.93Å
175A97Very high95.9Very high31 Ų3178.6 Ų78.626%0.25640%0.399SS..BIsolated β-bridgetrans-69.2122.6-179.400000112.4R153 M195R153-A175 VanDerWaalsContact NH1-CB 3.29Å; A175-M195 HydrophobicContact CB-SD 3.93Å
176V97.1Very high95.9Very high43 Ų4376.6 Ų76.626%0.26140%0.396SS..  trans-124.7136.3173.4-176.10000108.6L151 R153 M174 M194L151-V176 HydrophobicContact CB-CG1 3.76Å; L151-V176 HydrophobicContact CD1-CG1 4.12Å; R153-V176 PolarHBondContact NH2-O 2.99Å; R153-V176 VanDerWaalsContact NH2-O 3.14Å; M174-V176 PolarHBondContact O-N 2.73Å; V176-M194 PolarHBondContact N-O 3.14Å; V176-M194 CarbonylContact O-C 3.58Å; V176-M194 WeakPolarHBondContact O-CA 3.42Å; V176-M194 VanDerWaalsContact O-O 3.1Å
177G96.1Very high95.9Very high5 Ų584.5 Ų84.55%0.05241%0.414CS..SBendtrans69.6-168.6-17700000113.9L151 R153L151-G177 PolarHBondContact O-N 2.94Å; R153-G177 WeakPolarHBondContact CB-O 3.42Å; R153-G177 VanDerWaalsContact CZ-O 3.26Å; R153-G177 PolarHBondContact NE-O 3.42Å; R153-G177 PolarHBondContact NH2-O 3.23Å
178S96.6Very high95.9Very high5 Ų582 Ų824%0.03541%0.411CS..  trans-115.9134.4178.7177.70000111.8E117 L180 L181 M194E117-S178 WeakPolarHBondContact CG-OG 3.23Å; S178-L180 PolarHBondContact O-N 2.89Å; S178-L180 WeakPolarHBondContact OG-CB 3.18Å; S178-L180 PolarHBondContact OG-N 3.31Å; S178-L181 PolarHBondContact O-N 2.74Å; S178-L181 VanDerWaalsContact O-N 3.13Å; S178-M194 WeakPolarHBondContact O-CE 3.42Å
179P96.7Very high95.9Very high61 Ų6183.4 Ų83.440%0.39642%0.416SS..G310 helixtrans-62.5-19.9173-19.833.1000113.2L181 K182P179-L181 PolarHBondContact O-N 3.06Å; P179-K182 WeakPolarHBondContact O-CB 3.32Å; P179-K182 WeakPolarHBondContact O-CD 2.97Å; P179-K182 WeakPolarHBondContact O-CG 3.45Å; P179-K182 PolarHBondContact O-N 3.13Å
180L96.5Very high95.8Very high76 Ų7683.2 Ų83.240%0.39842%0.415SS..G310 helixtrans-68.8-20.9177.4-58.9179.3000112.7R113 K114 E117 S178R113-L180 HydrophobicContact CB-CD1 4.15Å; K114-L180 VanDerWaalsContact CE-O 3.25Å; K114-L180 WeakPolarHBondContact CE-O 3.28Å; K114-L180 HydrophobicContact CG-CB 4.13Å; E117-L180 HydrophobicContact CB-CD1 4.33Å; S178-L180 PolarHBondContact O-N 2.89Å; S178-L180 WeakPolarHBondContact OG-CB 3.18Å; S178-L180 PolarHBondContact OG-N 3.31Å
181L96Very high95.7Very high13 Ų1384.6 Ų84.67%0.06843%0.428CS..G310 helixtrans-100.911.7179.8-57.5175.2000112.1K114 S178 P179 D183 N184K114-L181 HydrophobicContact CB-CD2 3.95Å; K114-L181 HydrophobicContact CD-CD2 4.21Å; K114-L181 HydrophobicContact CG-CD2 4Å; S178-L181 PolarHBondContact O-N 2.74Å; S178-L181 VanDerWaalsContact O-N 3.13Å; P179-L181 PolarHBondContact O-N 3.06Å; L181-D183 PolarHBondContact O-N 2.93Å; L181-N184 WeakPolarHBondContact O-CB 3.35Å; L181-N184 PolarHBondContact O-N 3.24Å
182K94.4Very high95.6Very high138 Ų13884 Ų8460%0.643%0.429SS*.THydrogen-bonded Turntrans-61.9-28.2-179.873-177.1-179.1165.10112.7P179 N184 M194P179-K182 WeakPolarHBondContact O-CB 3.32Å; P179-K182 WeakPolarHBondContact O-CD 2.97Å; P179-K182 WeakPolarHBondContact O-CG 3.45Å; P179-K182 PolarHBondContact O-N 3.13Å; K182-N184 VanDerWaalsContact C-N 3.26Å; K182-N184 PolarHBondContact O-N 3.25Å; K182-M194 HydrophobicContact CB-CE 4.27Å
183D94.9Very high95.6Very high90 Ų9087 Ų8748%0.48144%0.437SS..THydrogen-bonded Turntrans-875.7-177.5-49-39.3000112.2H79 L181H79-D183 PolarHBondContact ND1-O 3.32Å; L181-D183 PolarHBondContact O-N 2.93Å
184N96.1Very high95.5Very high22 Ų2287.1 Ų87.112%0.11843%0.429CS..SBendtrans-63.5152.2177.3-81.16.9000111H79 Y81 L181 K182 C186H79-N184 WeakPolarHBondContact O-CA 3.34Å; Y81-N184 PolarHBondContact O-ND2 3.07Å; L181-N184 WeakPolarHBondContact O-CB 3.35Å; L181-N184 PolarHBondContact O-N 3.24Å; K182-N184 VanDerWaalsContact C-N 3.26Å; K182-N184 PolarHBondContact O-N 3.25Å; N184-C186 PolarHBondContact O-N 3.26Å; N184-C186 VanDerWaalsContact O-N 3.15Å
185V96.1Very high95.4Very high69 Ų6987.1 Ų87.142%0.41843%0.429SS..  trans-58.1121.9177.4178.20000108.9H79 K80 Y187H79-V185 HydrophobicContact CB-CG2 4.12Å; H79-V185 PolarHBondContact O-N 3.31Å; K80-V185 HydrophobicContact CG-CG2 4.42Å; V185-Y187 HydrophobicContact CG1-CD1 4.18Å; V185-Y187 HydrophobicContact CG1-CD2 4.48Å; V185-Y187 HydrophobicContact CG1-CE1 3.72Å; V185-Y187 HydrophobicContact CG1-CE2 4.06Å
186C95.4Very high95.3Very high54 Ų5490.3 Ų90.337%0.36544%0.438SS..  trans-107.1113.1174-165.30000109N184 S188 R190N184-C186 PolarHBondContact O-N 3.26Å; N184-C186 VanDerWaalsContact O-N 3.15Å; C186-S188 PolarHBondContact O-N 2.8Å; C186-S188 PolarHBondContact SG-OG 3.22Å; C186-R190 PolarHBondContact SG-O 3.45Å
187Y95.4Very high95.2Very high209 Ų20992.7 Ų92.782%0.8245%0.447SS*.  trans-78.6-11176.8-60.5-73.8000112.9V185V185-Y187 HydrophobicContact CG1-CD1 4.18Å; V185-Y187 HydrophobicContact CG1-CD2 4.48Å; V185-Y187 HydrophobicContact CG1-CE1 3.72Å; V185-Y187 HydrophobicContact CG1-CE2 4.06Å
188S95.8Very high95.2Very high71 Ų7197.3 Ų97.350%0.49747%0.468SS..SBendtrans-94.8155.8177.194.70000110.7C186 R190C186-S188 PolarHBondContact O-N 2.8Å; C186-S188 PolarHBondContact SG-OG 3.22Å; S188-R190 PolarHBondContact O-N 3.24Å; S188-R190 PolarHBondContact OG-N 3.19Å; S188-R190 PolarHBondContact OG-O 3.18Å
189R95.6Very high95.1Very high263 Ų263102.4 Ų102.499%0.99249%0.492SS*.SBendtrans-66.5-17.9173.1-64.1-174.3-178.6-177.70.4113.2
190R94.4Very high95Very high204 Ų204104.9 Ų104.977%0.7750%0.498SS*.SBendtrans-94.2134.9-176.6-68-175.1176.2-178.5-0109.9C186 S188C186-R190 PolarHBondContact SG-O 3.45Å; S188-R190 PolarHBondContact O-N 3.24Å; S188-R190 PolarHBondContact OG-N 3.19Å; S188-R190 PolarHBondContact OG-O 3.18Å
191P93.4Very high94.9Very high117 Ų117106.7 Ų106.776%0.7650%0.504SS*.PPolyproline II helixtrans-67.7158.617529.9-35.2000111.3K193P191-K193 PolarHBondContact O-N 2.97Å
192L93.3Very high94.8Very high88 Ų88112.9 Ų112.946%0.46153%0.533SS..PPolyproline II helixtrans-62.7121.6174.4-63.7177000110.6M194L192-M194 HydrophobicContact CB-CE 3.78Å; L192-M194 HydrophobicContact CD1-CE 3.92Å; L192-M194 PolarHBondContact O-N 2.86Å
193K94.5Very high94.8Very high132 Ų132111.1 Ų111.157%0.57453%0.528SS*.  trans-84.6111.3176.7-170.9174.7179.8179.30109.9P191 M195 H196P191-K193 PolarHBondContact O-N 2.97Å; K193-M195 WeakPolarHBondContact CE-O 3.43Å; K193-M195 WeakPolarHBondContact CG-O 3.33Å; K193-H196 PolarHBondContact O-NE2 3.47Å
194M94Very high94.8Very high38 Ų38112.8 Ų112.819%0.18753%0.532CS..  trans-95.9-7.6-176-62-64.5-177.200114.2R153 V176 S178 K182 L192R153-M194 PolarHBondContact NH2-O 3.14Å; V176-M194 PolarHBondContact N-O 3.14Å; V176-M194 CarbonylContact O-C 3.58Å; V176-M194 WeakPolarHBondContact O-CA 3.42Å; V176-M194 VanDerWaalsContact O-O 3.1Å; S178-M194 WeakPolarHBondContact O-CE 3.42Å; K182-M194 HydrophobicContact CB-CE 4.27Å; L192-M194 HydrophobicContact CB-CE 3.78Å; L192-M194 HydrophobicContact CD1-CE 3.92Å; L192-M194 PolarHBondContact O-N 2.86Å
195M95Very high94.7Very high101 Ų101120.3 Ų120.350%0.49857%0.566SS.*BIsolated β-bridgetrans-137.7127.4-179.3-59.5-63-167.400109.4M174 A175 K193M174-M195 CarbonylContact O-C 3.45Å; M174-M195 WeakPolarHBondContact O-CA 3.39Å; A175-M195 HydrophobicContact CB-SD 3.93Å; K193-M195 WeakPolarHBondContact CE-O 3.43Å; K193-M195 WeakPolarHBondContact CG-O 3.33Å
196H94.2Very high94.6Very high98 Ų98125 Ų12545%0.45458%0.58SS.*  trans-115.70-176.2-74.3-111.9000113.5M174 K193M174-H196 PolarHBondContact N-O 2.76Å; M174-H196 PolarHBondContact O-N 2.93Å; K193-H196 PolarHBondContact O-NE2 3.47Å

Retrieved 196 of 196 residues in 302.3 ms (Link to these results)