A0A087X4A2_POEFO Loading...

E3 ubiquitin-protein ligase RING2

AlphaFold DB , UniProt , Accession A0A087X4A2, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 379 aa.

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Site Residue pLDDT pLDDT confidence pLDDT10 pLDDT10 confidence SASA SASA [Ų] SASA10 SASA10 [Ų] RSA RSA unformatted RSA10 RSA10 unformatted Surface Surface10 (not used) Disorder (not used) Disorder Sec. str. Secondary structure Isomer Phi (φ) Psi (ψ) Omega (ω) Chi 1 (χ1) Chi 2 (χ2) Chi 3 (χ3) Chi 4 (χ4) Chi 5 (χ5) Tau (τ) Contacts (colored by PAE) Contact details
1M36.4Very low33.6Very low243 Ų243147 Ų147100%1.19788%0.882SS**  0121.10-70.4170.6170.600106.7
2K32Very low33.4Very low207 Ų207154.7 Ų154.790%0.988%0.884SS**  cis-143.8147.79.9-91.9169.1169.1173.80106.9
3M30Very low33.8Very low193 Ų193151.9 Ų151.995%0.95188%0.875SS**  trans-70.1149.8166.5-68.5-177.2161.100111
4A33.5Very low33.6Very low108 Ų108158.6 Ų158.689%0.89388%0.879SS**  trans-149119.2150.800000109.5
5S30Very low33.8Very low114 Ų114156.4 Ų156.480%0.79788%0.875SS**  trans-107.2131.8176.6179.60000107.6
6I33.8Very low33.6Very low173 Ų173150.9 Ų150.989%0.88786%0.864SS**  trans-144.7127.6157.5-59.8-175.7000108.6
7A35.5Very low33.4Very low82 Ų82150.4 Ų150.468%0.67886%0.857SS**  trans-85.2179.4-175.400000112.7
8P38.8Very low33.1Very low128 Ų128154.9 Ų154.983%0.83186%0.858SS**PPolyproline II helixtrans-96.9155-15138-35.8000115.6
9S32.6Very low32.9Very low125 Ų125154 Ų15487%0.87485%0.851SS**PPolyproline II helixtrans-94116.4176.5-44.20000111.5
10A31Very low32.7Very low99 Ų99154.2 Ų154.282%0.81885%0.85SS**PPolyproline II helixtrans-88.3135.4167.800000110.8
11V35.5Very low32.6Very low145 Ų145152.7 Ų152.788%0.87985%0.849SS**  trans-132.7120.7163.6-179.30000109.3
12R31.4Very low32.1Very low239 Ų239151.2 Ų151.290%0.90283%0.83SS**  trans-85.9167.3177.4-94.1-171.3-163.8-140.25.5112
13P39.1Very low32Very low119 Ų119150.6 Ų150.677%0.77382%0.822SS**  trans-93.4169-156.937.5-34.2000114.1
14R30.5Very low31.9Very low245 Ų245147.8 Ų147.893%0.92582%0.82SS**  trans-133.5154.5167.3-84.7-166.3-174.8-137.12.8112.8
15P36.2Very low31.8Very low126 Ų126147.6 Ų147.682%0.81881%0.812SS**  trans-100.2172.6-152.138.8-30.7000114.2
16G31.3Very low31.8Very low68 Ų68151.5 Ų151.570%0.70182%0.82SS**  trans-94.5-146.4-165.700000119.5
17L29.6Very low31.8Very low142 Ų142150.9 Ų150.974%0.74382%0.817SS**  trans81.9127.7-167.3-77.576.1000113.1
18W28.8Very low31.5Very low232 Ų232151.9 Ų151.988%0.87982%0.818SS**  -148151.653-80.377000114.5
19L28.3Very low31.3Very low138 Ų138156.9 Ų156.972%0.72382%0.82SS**  trans-62.2160.3175.6-69.876.9000113.3
20L30Very low31.4Very low158 Ų158157.6 Ų157.683%0.82781%0.814SS**  -165104.4111.7-114.996.7000110.9
21C29.7Very low31.8Very low123 Ų123159.2 Ų159.283%0.83182%0.816SS**  trans-96.4124.4158.8-179.80000107.1R23C21-R23 PolarHBondContact O-N 3.1Å
22W27.6Very low32Very low211 Ų211160.4 Ų160.480%0.79981%0.814SS**  trans-88.397.2175.6-130.130000109.6
23R29.9Very low32.3Very low195 Ų195158.5 Ų158.574%0.73681%0.812SS**  72.397123-147.3164.7176.3-172.9-2117.5C21C21-R23 PolarHBondContact O-N 3.1Å
24C27.6Very low32Very low134 Ų134161 Ų16191%0.90582%0.819SS**  -143.9121.6117.4-152.40000110.1
25S31.7Very low32.5Very low103 Ų103156.5 Ų156.572%0.7282%0.818SS**  trans-77.4130.7-176.1-69.50000112.1
26M29.7Very low32.6Very low196 Ų196155.1 Ų155.197%0.96682%0.817SS**  -157.5119.6127.9-111.2-180-173.900109.5
27I33.6Very low32.8Very low160 Ų160156.6 Ų156.682%0.82182%0.822SS**  trans-90.4123.5174-70162.3000106.8
28C28.2Very low32.9Very low104 Ų104158.6 Ų158.670%0.70383%0.83SS**  trans172124.3133.1-98.20000113.3
29R34.7Very low33.4Very low232 Ų232153.9 Ų153.988%0.87583%0.828SS**  trans59.9134.8139-68179.5179.7-134.2-0.6121.4
30D35.1Very low33.9Very low140 Ų140155.6 Ų155.675%0.74983%0.832SS**  trans86.9114.3162.9-72.3-40.5000120.4M32D30-M32 VanDerWaalsContact C-N 3.27Å; D30-M32 PolarHBondContact O-N 3.19Å
31P39.8Very low34.5Very low133 Ų133154.1 Ų154.186%0.86483%0.829SS**SBendtrans-87.927.217337.1-32.8000113.5
32M40Very low34.9Very low170 Ų170153.9 Ų153.984%0.83782%0.824SS**  trans-116.221.6-172.5-92.3-105.1161.600114.9D30D30-M32 VanDerWaalsContact C-N 3.27Å; D30-M32 PolarHBondContact O-N 3.19Å
33K36.5Very low35.8Very low199 Ų199152.9 Ų152.987%0.86583%0.828SS**  trans-142.169.5173.2-70.1-173.4-179.1173.30112.6
34L33.5Very low36.4Very low173 Ų173148 Ų14891%0.90682%0.82SS**  trans-138.243.3155.5-151.179.6000110.7
35V39.8Very low37.3Very low149 Ų149149.8 Ų149.890%0.90382%0.82SS**  trans-127.668166.1-174.30000107.3
36A39.3Very low38.6Very low98 Ų98148.7 Ų148.781%0.8183%0.825SS**  trans-171.797.9164.700000109.2
37A36.5Very low40.4Very low98 Ų98145 Ų14581%0.8181%0.814SS**  trans154.490139.900000110.7
38M30.8Very low42.7Very low184 Ų184143.1 Ų143.191%0.90680%0.802SS**  trans-178.574.3133.6-99.3-179.9152.700107.9Q40M38-Q40 PolarHBondContact O-N 3.2Å
39T38.8Very low45.5Very low134 Ų134141.5 Ų141.582%0.82279%0.792SS**  trans-71.398159.138.30000108.2
40Q39.3Very low48Very low174 Ų174136.8 Ų136.881%0.81378%0.783SS**  trans-118.497.7146.1-76.7-176.114.600106.8M38 V42M38-Q40 PolarHBondContact O-N 3.2Å; Q40-V42 PolarHBondContact O-N 3.09Å; Q40-V42 VanDerWaalsContact O-N 3.17Å
41T41.8Very low50.6Low126 Ų126134.6 Ų134.677%0.77378%0.779SS**  trans-66.3103.1171.342.50000108.8
42V39.2Very low53.1Low119 Ų119133.2 Ų133.272%0.72176%0.759SS**  trans-97.6105.9154.9-178.40000105.8Q40 T44Q40-V42 PolarHBondContact O-N 3.09Å; Q40-V42 VanDerWaalsContact O-N 3.17Å; V42-T44 HydrophobicContact CG1-CG2 4.12Å; V42-T44 PolarHBondContact O-N 3.26Å
43Q45.7Very low55.6Low190 Ų190129.1 Ų129.189%0.88874%0.743SS**  trans-67.1102.1171.8-72.7177.4-20.700108.3
44T42.9Very low58.4Low91 Ų91128.8 Ų128.856%0.55874%0.737SS**  trans-114.1121.2158.260.20000107.1V42 G46V42-T44 HydrophobicContact CG1-CG2 4.12Å; V42-T44 PolarHBondContact O-N 3.26Å; T44-G46 PolarHBondContact O-N 3.36Å; T44-G46 VanDerWaalsContact O-N 3.13Å
45N45.8Very low61.3Low172 Ų172126.1 Ų126.192%0.9272%0.72SS**THydrogen-bonded Turntrans-43.8118.2178.2-73.4-27.5000111.6
46G59.8Low64Low80 Ų80123.7 Ų123.783%0.82570%0.702SS**THydrogen-bonded Turntrans95.8-4.1160.400000119.2T44 Q48T44-G46 PolarHBondContact O-N 3.36Å; T44-G46 VanDerWaalsContact O-N 3.13Å; G46-Q48 PolarHBondContact O-N 2.89Å
47V67.6Low66.6Low119 Ų119121.5 Ų121.572%0.72168%0.68SS**  trans-89.9112.2179.1-173.90000110.3
48Q80.8Confident69.5Low121 Ų121124.1 Ų124.157%0.56568%0.679SS**  trans-65.6155.7176.1-64-161.1-5.300111.6G46 K52G46-Q48 PolarHBondContact O-N 2.89Å; Q48-K52 HydrophobicContact CB-CB 4.41Å; Q48-K52 HydrophobicContact CB-CG 4.49Å
49S88.9Confident72.6Confident70 Ų70121.8 Ų121.849%0.4966%0.662SS.*  trans-61.3148.5176.763.50000110.9S51 K52 T53S49-S51 PolarHBondContact O-N 2.88Å; S49-S51 VanDerWaalsContact O-N 3.15Å; S49-S51 PolarHBondContact OG-OG 3.44Å; S49-S51 VanDerWaalsContact OG-OG 3.07Å; S49-K52 WeakPolarHBondContact O-CA 3.22Å; S49-K52 WeakPolarHBondContact O-CB 3.43Å; S49-K52 PolarHBondContact O-N 3.14Å; S49-K52 WeakPolarHBondContact OG-CB 3.34Å; S49-K52 PolarHBondContact OG-N 3.25Å; S49-T53 PolarHBondContact O-N 3.07Å; S49-T53 PolarHBondContact O-OG1 3.31Å
50L86.9Confident75.4Confident132 Ų132119.7 Ų119.769%0.69164%0.642SS**Hα-helixtrans-54.4-38.8-179.9-170.873000112K52 T53 W54L50-K52 VanDerWaalsContact C-N 3.28Å; L50-K52 PolarHBondContact O-N 3.18Å; L50-T53 PolarHBondContact O-N 2.98Å; L50-W54 PolarHBondContact O-N 3.27Å
51S88.7Confident78.1Confident95 Ų95117 Ų11766%0.66463%0.633SS**Hα-helixtrans-61.7-35.8175.854.40000112.9S49 E55S49-S51 PolarHBondContact O-N 2.88Å; S49-S51 VanDerWaalsContact O-N 3.15Å; S49-S51 PolarHBondContact OG-OG 3.44Å; S49-S51 VanDerWaalsContact OG-OG 3.07Å; S51-E55 PolarHBondContact O-N 3.09Å
52K92.3Very high80.7Confident104 Ų104116.8 Ų116.845%0.45262%0.623SS.*Hα-helixtrans-79.2-38.6-179-172.267.5-1711690111.9Q48 S49 L50 W54 E55Q48-K52 HydrophobicContact CB-CB 4.41Å; Q48-K52 HydrophobicContact CB-CG 4.49Å; S49-K52 WeakPolarHBondContact O-CA 3.22Å; S49-K52 WeakPolarHBondContact O-CB 3.43Å; S49-K52 PolarHBondContact O-N 3.14Å; S49-K52 WeakPolarHBondContact OG-CB 3.34Å; S49-K52 PolarHBondContact OG-N 3.25Å; L50-K52 VanDerWaalsContact C-N 3.28Å; L50-K52 PolarHBondContact O-N 3.18Å; K52-W54 PolarHBondContact O-N 3.14Å; K52-E55 VanDerWaalsContact CD-OE2 3.27Å; K52-E55 WeakPolarHBondContact CD-OE2 3.17Å; K52-E55 WeakPolarHBondContact CE-OE2 3.41Å; K52-E55 IonicContact NZ-OE2 2.66Å; K52-E55 PolarHBondContact NZ-OE2 3.31Å; K52-E55 PolarHBondContact O-N 3.1Å
53T93.4Very high83.4Confident83 Ų83118 Ų11851%0.50962%0.615SS.*Hα-helixtrans-60-33.8177.9-570000113S49 L50S49-T53 PolarHBondContact O-N 3.07Å; S49-T53 PolarHBondContact O-OG1 3.31Å; L50-T53 PolarHBondContact O-N 2.98Å
54W93.6Very high85.9Confident192 Ų192113.8 Ų113.873%0.72760%0.603SS**THydrogen-bonded Turntrans-106.411.9-178.7-56.3111.2000113.3L50 K52 L56L50-W54 PolarHBondContact O-N 3.27Å; K52-W54 PolarHBondContact O-N 3.14Å; W54-L56 PolarHBondContact O-N 3.46Å
55E95Very high88.5Confident117 Ų117114.2 Ų114.255%0.54761%0.607SS.*PPolyproline II helixtrans-73.2119.4174.2-173.7178.4-153.800109.4S51 K52S51-E55 PolarHBondContact O-N 3.09Å; K52-E55 VanDerWaalsContact CD-OE2 3.27Å; K52-E55 WeakPolarHBondContact CD-OE2 3.17Å; K52-E55 WeakPolarHBondContact CE-OE2 3.41Å; K52-E55 IonicContact NZ-OE2 2.66Å; K52-E55 PolarHBondContact NZ-OE2 3.31Å; K52-E55 PolarHBondContact O-N 3.1Å
56L96Very high90.8Very high99 Ų99113.1 Ų113.152%0.51860%0.596SS.*PPolyproline II helixtrans-77.8132.4177.9-59.2-179.8000110.3W54 E60 L61W54-L56 PolarHBondContact O-N 3.46Å; L56-E60 HydrophobicContact CB-CB 4.15Å; L56-E60 HydrophobicContact CD2-CB 4.2Å; L56-L61 HydrophobicContact CB-CD2 4.12Å; L56-L61 HydrophobicContact CB-CG 4.16Å; L56-L61 HydrophobicContact CD1-CD2 3.98Å
57S95.6Very high92.4Very high51 Ų51117.3 Ų117.336%0.35759%0.594SS.*PPolyproline II helixtrans-65.6161.6168.265.10000111.6Y59 E60 L61S57-Y59 PolarHBondContact O-N 2.92Å; S57-Y59 VanDerWaalsContact O-N 3.16Å; S57-E60 VanDerWaalsContact CB-OE2 3.31Å; S57-E60 WeakPolarHBondContact CB-OE2 3.4Å; S57-E60 PolarHBondContact N-OE2 2.87Å; S57-E60 PolarHBondContact O-N 3.04Å; S57-E60 WeakPolarHBondContact OG-CG 3.21Å; S57-E60 PolarHBondContact OG-N 3.41Å; S57-E60 PolarHBondContact OG-OE2 3.22Å; S57-L61 PolarHBondContact O-N 3Å; S57-L61 VanDerWaalsContact O-N 3.09Å
58L96.6Very high93.4Very high153 Ų153115.4 Ų115.480%0.80159%0.591SS**Hα-helixtrans-56.3-32.1173.7-64.2-179.5000112.3L61 Q62L58-L61 HydrophobicContact CD2-CD1 4.34Å; L58-Q62 WeakPolarHBondContact O-CG 2.92Å
59Y96.5Very high93.9Very high135 Ų135115 Ų11553%0.52959%0.591SS.*Hα-helixtrans-67.5-47.8173.6168.5-101000111.8S57 L61 Q62 R63S57-Y59 PolarHBondContact O-N 2.92Å; S57-Y59 VanDerWaalsContact O-N 3.16Å; Y59-L61 VanDerWaalsContact C-N 3.25Å; Y59-L61 PolarHBondContact O-N 3.09Å; Y59-Q62 VanDerWaalsContact CD2-NE2 3.29Å; Y59-Q62 PolarHBondContact O-N 3.28Å; Y59-Q62 VanDerWaalsContact O-N 3.12Å; Y59-Q62 PolarHBondContact O-NE2 3.3Å; Y59-R63 HydrophobicContact CE1-CB 4.21Å; Y59-R63 PolarHBondContact O-N 2.9Å
60E96.9Very high93.9Very high90 Ų90117.9 Ų117.942%0.42161%0.606SS.*Hα-helixtrans-66.4-27-178-71.6160.7128.700113.3L56 S57 Q62 R63L56-E60 HydrophobicContact CB-CB 4.15Å; L56-E60 HydrophobicContact CD2-CB 4.2Å; S57-E60 VanDerWaalsContact CB-OE2 3.31Å; S57-E60 WeakPolarHBondContact CB-OE2 3.4Å; S57-E60 PolarHBondContact N-OE2 2.87Å; S57-E60 PolarHBondContact O-N 3.04Å; S57-E60 WeakPolarHBondContact OG-CG 3.21Å; S57-E60 PolarHBondContact OG-N 3.41Å; S57-E60 PolarHBondContact OG-OE2 3.22Å; E60-Q62 PolarHBondContact O-N 3.45Å; E60-R63 WeakPolarHBondContact O-CG 3.36Å
61L96.7Very high93.7Very high119 Ų119117.5 Ų117.562%0.62361%0.605SS**Hα-helixtrans-64.6-26.3174.3-73.2171.5000113.4L56 S57 L58 Y59L56-L61 HydrophobicContact CB-CD2 4.12Å; L56-L61 HydrophobicContact CB-CG 4.16Å; L56-L61 HydrophobicContact CD1-CD2 3.98Å; S57-L61 PolarHBondContact O-N 3Å; S57-L61 VanDerWaalsContact O-N 3.09Å; L58-L61 HydrophobicContact CD2-CD1 4.34Å; Y59-L61 VanDerWaalsContact C-N 3.25Å; Y59-L61 PolarHBondContact O-N 3.09Å
62Q96.1Very high93.3Very high121 Ų121116.3 Ų116.357%0.56561%0.608SS**Hα-helixtrans-1203.3-175.763.574.26400114L58 Y59 E60 T64L58-Q62 WeakPolarHBondContact O-CG 2.92Å; Y59-Q62 VanDerWaalsContact CD2-NE2 3.29Å; Y59-Q62 PolarHBondContact O-N 3.28Å; Y59-Q62 VanDerWaalsContact O-N 3.12Å; Y59-Q62 PolarHBondContact O-NE2 3.3Å; E60-Q62 PolarHBondContact O-N 3.45Å; Q62-T64 PolarHBondContact O-N 3.24Å
63R96.2Very high92.9Very high143 Ų143116.4 Ų116.454%0.5461%0.612SS.*PPolyproline II helixtrans-62.7137.4-176.868.5-175.2-78-108.5-2.4111Y59 E60Y59-R63 HydrophobicContact CE1-CB 4.21Å; Y59-R63 PolarHBondContact O-N 2.9Å; E60-R63 WeakPolarHBondContact O-CG 3.36Å
64T96.9Very high92.1Very high103 Ų103121 Ų12163%0.63263%0.628SS**PPolyproline II helixtrans-88.4155172.252.60000110.8Q62Q62-T64 PolarHBondContact O-N 3.24Å
65P97.3Very high91.1Very high100 Ų100118.4 Ų118.465%0.64963%0.627SS**PPolyproline II helixtrans-54.2142.5171.9-24.735000111.6
66Q94.1Very high89.6Confident149 Ų149117.9 Ų117.970%0.69664%0.643SS**PPolyproline II helixtrans-83.9116.6168.9-68.4-66.3-29.700107.5
67E94.1Very high88.3Confident168 Ų168116.8 Ų116.879%0.78564%0.64SS**PPolyproline II helixtrans-64.5138-179.9-65.8-61.9149.400110.4
68A89.6Confident87.2Confident78 Ų78117.2 Ų117.265%0.64564%0.643SS**PPolyproline II helixtrans-71.9136178.500000110.4T70A68-T70 PolarHBondContact O-N 3.24Å
69I89.6Confident85.9Confident113 Ų113112.8 Ų112.858%0.57962%0.624SS**PPolyproline II helixtrans-68.4119.1172.5-58.5178.1000107.6D71 L73I69-D71 WeakPolarHBondContact CG2-OD1 3.33Å; I69-L73 HydrophobicContact CD1-CD2 4.22Å; I69-L73 HydrophobicContact CG2-CB 3.74Å; I69-L73 HydrophobicContact CG2-CD2 4Å; I69-L73 HydrophobicContact CG2-CG 4.49Å
70T89.8Confident84.6Confident131 Ų131114.5 Ų114.580%0.80463%0.629SS**  trans-121.2-4.8-176.251.30000113.1A68 G72A68-T70 PolarHBondContact O-N 3.24Å; T70-G72 PolarHBondContact O-N 2.93Å; T70-G72 VanDerWaalsContact O-N 3.14Å
71D82.6Confident83.9Confident123 Ų123113.9 Ų113.966%0.65864%0.635SS**SBendtrans-82.822.7-171.252.5-43.4000114.3I69 L73I69-D71 WeakPolarHBondContact CG2-OD1 3.33Å; D71-L73 PolarHBondContact O-N 3.48Å; D71-L73 VanDerWaalsContact O-N 3.11Å
72G79.4Confident83.2Confident70 Ų70110.6 Ų110.672%0.72262%0.617SS**  trans63.715.3178.600000113.8T70 E74T70-G72 PolarHBondContact O-N 2.93Å; T70-G72 VanDerWaalsContact O-N 3.14Å; G72-E74 PolarHBondContact O-N 3.48Å; G72-E74 VanDerWaalsContact O-N 3.15Å
73L84.6Confident82.5Confident106 Ų106109.6 Ų109.656%0.55561%0.612SS**  trans-58.5116.9176.7-179.665.3000109.9I69 D71 I75I69-L73 HydrophobicContact CD1-CD2 4.22Å; I69-L73 HydrophobicContact CG2-CB 3.74Å; I69-L73 HydrophobicContact CG2-CD2 4Å; I69-L73 HydrophobicContact CG2-CG 4.49Å; D71-L73 PolarHBondContact O-N 3.48Å; D71-L73 VanDerWaalsContact O-N 3.11Å; L73-I75 PolarHBondContact O-N 3.27Å
74E75.9Confident81.9Confident180 Ų180106.7 Ų106.784%0.84161%0.614SS**  trans-76.9118176.7-65.8-170.2162.100109.9G72 A76G72-E74 PolarHBondContact O-N 3.48Å; G72-E74 VanDerWaalsContact O-N 3.15Å; E74-A76 PolarHBondContact O-N 3.08Å
75I73.2Confident81.7Confident137 Ų137106.9 Ų106.970%0.70361%0.608SS**  trans-81.799.3175.4-49179.9000108L73 V77L73-I75 PolarHBondContact O-N 3.27Å; I75-V77 VanDerWaalsContact C-N 3.3Å; I75-V77 HydrophobicContact CB-CG2 4.46Å; I75-V77 HydrophobicContact CG2-CG2 3.38Å; I75-V77 PolarHBondContact O-N 3.46Å
76A63.6Low81.4Confident106 Ų106102.6 Ų102.688%0.87658%0.579SS**  trans-78.975.7174.600000111E74E74-A76 PolarHBondContact O-N 3.08Å
77V69Low81.4Confident76 Ų7697.8 Ų97.846%0.46156%0.557SS.*  trans-97127.9166-149.50000108.3I75 P79I75-V77 VanDerWaalsContact C-N 3.3Å; I75-V77 HydrophobicContact CB-CG2 4.46Å; I75-V77 HydrophobicContact CG2-CG2 3.38Å; I75-V77 PolarHBondContact O-N 3.46Å; V77-P79 WeakPolarHBondContact O-CD 3.39Å
78S72.3Confident81.5Confident61 Ų6189.8 Ų89.843%0.42752%0.52SS..  trans-58.3124.9172.3175.80000109R80 S81S78-R80 PolarHBondContact O-N 3.09Å; S78-S81 VanDerWaalsContact O-CB 3.31Å; S78-S81 WeakPolarHBondContact O-CB 3.42Å; S78-S81 PolarHBondContact O-N 3.03Å
79P68.6Low81.8Confident60 Ų6089.2 Ų89.239%0.3951%0.51SS..G310 helixtrans-55.6-27.3179.2-27.635.1000113.2V77 S81 L82 Y151V77-P79 WeakPolarHBondContact O-CD 3.39Å; P79-S81 PolarHBondContact O-N 3.13Å; P79-L82 PolarHBondContact O-N 3.13Å; P79-Y151 HydrophobicContact CB-CE1 3.8Å; P79-Y151 WeakPolarHBondContact CB-OH 3.49Å; P79-Y151 PolarHBondContact O-OH 3.25Å
80R69.3Low82.1Confident171 Ų17186.9 Ų86.965%0.64550%0.498SS*.G310 helixtrans-64.5-27.7176-61.3-178.2-166.1-88.3-4.5113.2S78 L82 H83S78-R80 PolarHBondContact O-N 3.09Å; R80-L82 PolarHBondContact O-N 3.47Å; R80-H83 WeakPolarHBondContact O-CB 3.46Å; R80-H83 PolarHBondContact O-N 3.5Å
81S82.4Confident82.4Confident76 Ų7683.3 Ų83.353%0.53148%0.478SS..G310 helixtrans-73.6-14.1179-60.10000113.3S78 P79S78-S81 VanDerWaalsContact O-CB 3.31Å; S78-S81 WeakPolarHBondContact O-CB 3.42Å; S78-S81 PolarHBondContact O-N 3.03Å; P79-S81 PolarHBondContact O-N 3.13Å
82L83.4Confident82.9Confident50 Ų5083.6 Ų83.626%0.26248%0.479SS..G310 helixtrans-103.95.8179-61.6175.7000112.6P79 R80 E85 L86 I150P79-L82 PolarHBondContact O-N 3.13Å; R80-L82 PolarHBondContact O-N 3.47Å; L82-E85 VanDerWaalsContact CA-OE2 3.24Å; L82-E85 WeakPolarHBondContact CA-OE2 3.39Å; L82-E85 PolarHBondContact O-N 2.93Å; L82-L86 HydrophobicContact CB-CD1 3.93Å; L82-L86 HydrophobicContact CB-CG 4.37Å; L82-L86 WeakPolarHBondContact O-CB 3.47Å; L82-L86 VanDerWaalsContact O-CG 3.28Å; L82-L86 WeakPolarHBondContact O-CG 3.41Å; L82-L86 PolarHBondContact O-N 3.08Å; L82-I150 HydrophobicContact CD1-CD1 4.22Å; L82-I150 HydrophobicContact CD1-CG2 4.02Å
83H80.4Confident83.4Confident100 Ų10083.2 Ų83.246%0.46346%0.46SS..Hα-helixtrans-64.7-44.9-171.2-172.355.8000111.3R80 E85 L86 M87R80-H83 WeakPolarHBondContact O-CB 3.46Å; R80-H83 PolarHBondContact O-N 3.5Å; H83-E85 VanDerWaalsContact C-N 3.31Å; H83-E85 PolarHBondContact O-N 3.4Å; H83-L86 PolarHBondContact O-N 3.08Å; H83-M87 VanDerWaalsContact CD2-CE 3.42Å; H83-M87 WeakPolarHBondContact CD2-CE 3.2Å; H83-M87 PolarHBondContact CE1-SD 3Å; H83-M87 PolarHBondContact NE2-SD 3.21Å; H83-M87 VanDerWaalsContact O-CB 3.28Å; H83-M87 WeakPolarHBondContact O-CB 3.26Å; H83-M87 WeakPolarHBondContact O-CE 3.5Å; H83-M87 WeakPolarHBondContact O-CG 3.32Å; H83-M87 PolarHBondContact O-N 3.03Å; H83-M87 VanDerWaalsContact O-N 3.16Å
84S84.8Confident83.7Confident82 Ų8278.9 Ų78.957%0.57344%0.437SS*.Hα-helixtrans-62.7-34.5178.7330000113.5
85E91.4Very high84.6Confident107 Ų10770.4 Ų70.450%0.540%0.397SS..Hα-helixtrans-81.8-25.2-174.5-63.166.3-139.900112.3L82 H83L82-E85 VanDerWaalsContact CA-OE2 3.24Å; L82-E85 WeakPolarHBondContact CA-OE2 3.39Å; L82-E85 PolarHBondContact O-N 2.93Å; H83-E85 VanDerWaalsContact C-N 3.31Å; H83-E85 PolarHBondContact O-N 3.4Å
86L92.3Very high85.6Confident10 Ų1067.9 Ų67.95%0.05238%0.381CS..Hα-helixtrans-104.9-1.4-176-56.3179.3000113.1L82 H83 M94 L95 F143 I147 I150 Y151L82-L86 HydrophobicContact CB-CD1 3.93Å; L82-L86 HydrophobicContact CB-CG 4.37Å; L82-L86 WeakPolarHBondContact O-CB 3.47Å; L82-L86 VanDerWaalsContact O-CG 3.28Å; L82-L86 WeakPolarHBondContact O-CG 3.41Å; L82-L86 PolarHBondContact O-N 3.08Å; H83-L86 PolarHBondContact O-N 3.08Å; L86-M94 CarbonylContact O-C 3.55Å; L86-M94 WeakPolarHBondContact O-CA 3.44Å; L86-L95 WeakPolarHBondContact O-CG 3.23Å; L86-L95 PolarHBondContact O-N 3.39Å; L86-F143 HydrophobicContact CD2-CE1 3.89Å; L86-F143 HydrophobicContact CD2-CZ 3.66Å; L86-I147 HydrophobicContact CD2-CG1 3.94Å; L86-I150 HydrophobicContact CD1-CD1 4.18Å; L86-I150 HydrophobicContact CD1-CG2 4.49Å; L86-Y151 HydrophobicContact CD1-CD2 4.31Å; L86-Y151 HydrophobicContact CD1-CE2 3.69Å
87M93.4Very high87.2Confident48 Ų4868.1 Ų68.124%0.23637%0.368CS..BIsolated β-bridgetrans-88.1145.1178.7-88.7-167.8-56.200113.4H83 P89H83-M87 VanDerWaalsContact CD2-CE 3.42Å; H83-M87 WeakPolarHBondContact CD2-CE 3.2Å; H83-M87 PolarHBondContact CE1-SD 3Å; H83-M87 PolarHBondContact NE2-SD 3.21Å; H83-M87 VanDerWaalsContact O-CB 3.28Å; H83-M87 WeakPolarHBondContact O-CB 3.26Å; H83-M87 WeakPolarHBondContact O-CE 3.5Å; H83-M87 WeakPolarHBondContact O-CG 3.32Å; H83-M87 PolarHBondContact O-N 3.03Å; H83-M87 VanDerWaalsContact O-N 3.16Å; M87-P89 WeakPolarHBondContact O-CD 3.41Å
88C96.5Very high88.5Confident0 Ų064.6 Ų64.60%035%0.347CS..  trans-80.7124.1168.3-1760000110.3I90 C91 L92 D93 L95 C109C88-I90 PolarHBondContact O-N 3.49Å; C88-C91 VanDerWaalsContact CB-SG 3.52Å; C88-L92 VanDerWaalsContact O-CA 3.29Å; C88-L92 WeakPolarHBondContact O-CA 3.49Å; C88-L92 PolarHBondContact O-N 2.87Å; C88-D93 WeakPolarHBondContact CB-O 3.48Å; C88-D93 PolarHBondContact N-O 3.09Å; C88-L95 HydrophobicContact CB-CD2 3.69Å; C88-L95 HydrophobicContact CB-CG 4.31Å; C88-C109 VanDerWaalsContact CB-SG 3.55Å; C88-C109 PolarHBondContact SG-N 2.96Å; C88-C109 VanDerWaalsContact SG-N 3.39Å
89P95.9Very high89.7Confident66 Ų6662.3 Ų62.343%0.42933%0.33SS..THydrogen-bonded Turntrans-65.7-6.4178.3-22.833.5000115.5M87 R107 F108M87-P89 WeakPolarHBondContact O-CD 3.41Å; P89-R107 WeakPolarHBondContact CD-O 3.45Å; P89-F108 HydrophobicContact CB-CE1 4.16Å; P89-F108 HydrophobicContact CG-CD1 4.34Å; P89-F108 HydrophobicContact CG-CE1 3.97Å
90I95.8Very high91.1Very high64 Ų6460 Ų6033%0.32831%0.314SS..THydrogen-bonded Turntrans-99.2-52.9-177.4-60.2166.4000110.7C88 F108 C112 I113 A116 P125C88-I90 PolarHBondContact O-N 3.49Å; I90-F108 HydrophobicContact CD1-CB 4.26Å; I90-F108 HydrophobicContact CD1-CD1 3.48Å; I90-F108 VanDerWaalsContact CD1-CD1 3.48Å; I90-F108 HydrophobicContact CD1-CE1 4.14Å; I90-F108 HydrophobicContact CD1-CG 4.08Å; I90-F108 HydrophobicContact CG1-CD1 3.79Å; I90-F108 HydrophobicContact CG1-CE1 4.19Å; I90-C112 HydrophobicContact CB-CB 3.9Å; I90-C112 HydrophobicContact CD1-CB 3.72Å; I90-C112 HydrophobicContact CG1-CB 4.42Å; I90-C112 HydrophobicContact CG2-CB 3.89Å; I90-I113 HydrophobicContact CD1-CD1 4.44Å; I90-A116 HydrophobicContact CD1-CB 4.38Å; I90-P125 HydrophobicContact CD1-CG 4.05Å; I90-P125 HydrophobicContact CG1-CB 4.29Å; I90-P125 HydrophobicContact CG1-CG 4.32Å
91C94.9Very high92.5Very high57 Ų5751.9 Ų51.939%0.38528%0.284SS..THydrogen-bonded Turntrans-94.5-5.9-179.365.70000113.7C88 D93C88-C91 VanDerWaalsContact CB-SG 3.52Å; C91-D93 PolarHBondContact O-N 2.99Å; C91-D93 VanDerWaalsContact O-N 3.08Å
92L92.8Very high93.1Very high129 Ų12952.3 Ų52.368%0.67528%0.276SS*.SBendtrans57.122-178.8-49-179.5000113.8C88C88-L92 VanDerWaalsContact O-CA 3.29Å; C88-L92 WeakPolarHBondContact O-CA 3.49Å; C88-L92 PolarHBondContact O-N 2.87Å
93D91.2Very high93.7Very high61 Ų6156.3 Ų56.333%0.32629%0.293SS..SBendtrans-116.5163.2176.9-17316.9000108.8C88 C91 K96 R154C88-D93 WeakPolarHBondContact CB-O 3.48Å; C88-D93 PolarHBondContact N-O 3.09Å; C91-D93 PolarHBondContact O-N 2.99Å; C91-D93 VanDerWaalsContact O-N 3.08Å; D93-K96 IonicContact OD2-NZ 3.09Å; D93-R154 IonicContact OD1-NH2 3.75Å; D93-R154 IonicContact OD2-NH2 3.01Å
94M90.8Very high94.4Very high15 Ų1552.6 Ų52.67%0.07428%0.279CS..BIsolated β-bridgetrans-56.8141.8178.1176.8-167.7-50.700110.7L86 K96 I147 Y151 R154L86-M94 CarbonylContact O-C 3.55Å; L86-M94 WeakPolarHBondContact O-CA 3.44Å; M94-K96 PolarHBondContact O-N 3.42Å; M94-I147 HydrophobicContact CG-CG2 4.08Å; M94-I147 HydrophobicContact SD-CG2 3.56Å; M94-I147 VanDerWaalsContact SD-CG2 3.56Å; M94-Y151 HydrophobicContact CE-CD1 4.06Å; M94-Y151 HydrophobicContact CE-CD2 3.67Å; M94-Y151 HydrophobicContact CE-CE1 4.16Å; M94-Y151 HydrophobicContact CE-CE2 3.8Å; M94-Y151 HydrophobicContact CE-CG 3.81Å; M94-Y151 HydrophobicContact SD-CD2 4.05Å; M94-Y151 HydrophobicContact SD-CG 4.32Å; M94-R154 VanDerWaalsContact C-NH2 3.33Å; M94-R154 VanDerWaalsContact CB-NH2 3.31Å; M94-R154 PolarHBondContact O-NH1 3.05Å; M94-R154 PolarHBondContact O-NH2 3.39Å; M94-R154 HydrophobicContact SD-CG 4.49Å
95L94.8Very high95Very high2 Ų254 Ų541%0.0128%0.279CS..  trans-60131.5-173.8-71.9157.6000111.9L86 C88 T98 R107 F108 F143 I147 R154L86-L95 WeakPolarHBondContact O-CG 3.23Å; L86-L95 PolarHBondContact O-N 3.39Å; C88-L95 HydrophobicContact CB-CD2 3.69Å; C88-L95 HydrophobicContact CB-CG 4.31Å; L95-T98 HydrophobicContact CD1-CG2 4.39Å; L95-R107 HydrophobicContact CD1-CB 3.82Å; L95-R107 HydrophobicContact CD2-CB 4.28Å; L95-F108 VanDerWaalsContact CD2-CA 3.41Å; L95-F143 HydrophobicContact CD1-CD1 4.22Å; L95-F143 HydrophobicContact CD1-CE1 3.63Å; L95-I147 HydrophobicContact CB-CD1 3.88Å; L95-R154 PolarHBondContact O-NH1 3.02Å
96K94Very high95.3Very high84 Ų8451.6 Ų51.637%0.36527%0.268SS..SBendtrans-120.8127.9174.4-63.9-177.6-172.8-175.30108.6D93 M94 C109 A110 E158D93-K96 IonicContact OD2-NZ 3.09Å; M94-K96 PolarHBondContact O-N 3.42Å; K96-C109 PolarHBondContact N-SG 3.1Å; K96-C109 WeakPolarHBondContact O-CA 3.48Å; K96-C109 WeakPolarHBondContact O-CB 3.34Å; K96-A110 PolarHBondContact O-N 3.35Å; K96-E158 VanDerWaalsContact CE-OE1 3.29Å; K96-E158 WeakPolarHBondContact CE-OE1 3.41Å; K96-E158 IonicContact NZ-OE1 3.68Å; K96-E158 PolarHBondContact NZ-OE1 3.37Å; K96-E158 IonicContact NZ-OE2 3.06Å; K96-E158 PolarHBondContact NZ-OE2 2.81Å
97N96.7Very high95.5Very high112 Ų11255.3 Ų55.360%0.59928%0.281SS*.SBendtrans49.866.7-176.2-55.5104.1000111.1M99 A110 D144N97-M99 PolarHBondContact O-N 2.82Å; N97-A110 HydrophobicContact CB-CB 4Å; N97-A110 WeakPolarHBondContact O-CB 3.37Å; N97-A110 PolarHBondContact O-N 3.14Å; N97-A110 VanDerWaalsContact O-N 3.09Å; N97-D144 WeakPolarHBondContact CA-OD2 3.38Å
98T97.6Very high95.8Very high1 Ų153 Ų531%0.00627%0.27CS..EExtended strand (participates in β ladder)trans-61129.6-166-57.60000112.1L95 R107 P139 D140 F143 D144L95-T98 HydrophobicContact CD1-CG2 4.39Å; T98-R107 HydrophobicContact CG2-CB 3.89Å; T98-R107 HydrophobicContact CG2-CG 4.04Å; T98-P139 WeakPolarHBondContact O-CA 3.42Å; T98-D140 HydrophobicContact CG2-CB 4.24Å; T98-D140 PolarHBondContact O-N 2.88Å; T98-F143 HydrophobicContact CG2-CD1 4.06Å; T98-D144 WeakPolarHBondContact CB-OD1 3.19Å; T98-D144 PolarHBondContact N-OD1 3.2Å; T98-D144 PolarHBondContact N-OD2 3.14Å; T98-D144 VanDerWaalsContact N-OD2 3.13Å; T98-D144 PolarHBondContact OG1-OD1 3.28Å
99M97.8Very high95.9Very high14 Ų1453.5 Ų53.57%0.06927%0.273CS..EExtended strand (participates in β ladder)trans-114.6129.2172-69.4-68-79.400109.8N97 R107 F108 A110 I113 L137 R138 P139N97-M99 PolarHBondContact O-N 2.82Å; M99-R107 WeakPolarHBondContact O-CA 3.18Å; M99-F108 PolarHBondContact N-O 3.44Å; M99-F108 PolarHBondContact O-N 2.72Å; M99-A110 HydrophobicContact CG-CB 3.75Å; M99-I113 HydrophobicContact CB-CG2 3.8Å; M99-I113 HydrophobicContact CG-CG2 4.19Å; M99-L137 HydrophobicContact CE-CB 3.65Å; M99-L137 HydrophobicContact CE-CD1 4.07Å; M99-R138 WeakPolarHBondContact CA-O 3.44Å; M99-P139 HydrophobicContact SD-CB 4.11Å; M99-P139 HydrophobicContact SD-CG 3.89Å
100T97.9Very high95.9Very high12 Ų1251.1 Ų51.17%0.07426%0.259CS..EExtended strand (participates in β ladder)trans-114.1135.3-175.9-55.70000110.9L105 H106 R107 L137 R138 D140T100-L105 HydrophobicContact CG2-CB 4.29Å; T100-L105 HydrophobicContact CG2-CD2 4.04Å; T100-H106 WeakPolarHBondContact CA-O 3.27Å; T100-R107 HydrophobicContact CG2-CG 4.37Å; T100-L137 CarbonylContact O-C 3.41Å; T100-L137 WeakPolarHBondContact O-CA 3.45Å; T100-R138 PolarHBondContact N-O 2.75Å; T100-R138 PolarHBondContact O-N 2.85Å; T100-D140 WeakPolarHBondContact OG1-CB 3.34Å; T100-D140 PolarHBondContact OG1-OD2 2.94Å
101T97.5Very high96Very high0 Ų053.9 Ų53.90%027%0.274CS..EExtended strand (participates in β ladder)trans-75.3137175.259.50000111.4E103 C104 L105 H106 F108 L131 L137T101-E103 PolarHBondContact O-N 3.16Å; T101-C104 PolarHBondContact OG1-SG 3.08Å; T101-L105 VanDerWaalsContact O-CA 3.25Å; T101-L105 WeakPolarHBondContact O-CA 3.38Å; T101-L105 PolarHBondContact O-N 3.21Å; T101-L105 PolarHBondContact OG1-N 2.88Å; T101-L105 VanDerWaalsContact OG1-N 3.14Å; T101-H106 PolarHBondContact N-O 2.89Å; T101-H106 PolarHBondContact OG1-N 3.29Å; T101-H106 PolarHBondContact OG1-O 3.47Å; T101-F108 HydrophobicContact CG2-CD2 4.45Å; T101-F108 HydrophobicContact CG2-CE2 3.91Å; T101-L131 HydrophobicContact CG2-CD1 3.81Å; T101-L131 HydrophobicContact CG2-CD2 3.87Å; T101-L131 HydrophobicContact CG2-CG 4.48Å; T101-L137 HydrophobicContact CG2-CD2 3.63Å
102K96.1Very high96.2Very high85 Ų8552.4 Ų52.437%0.3726%0.264SS..THydrogen-bonded Turntrans-70-33.2-178-69173.5-179.4175.20114.1R135 S136 R138K102-R135 WeakPolarHBondContact CE-O 3.34Å; K102-R135 PolarHBondContact NZ-O 3.2Å; K102-S136 WeakPolarHBondContact CG-O 3.29Å; K102-S136 PolarHBondContact N-O 3.3Å; K102-R138 HydrophobicContact CD-CG 4.44Å; K102-R138 HydrophobicContact CG-CG 4.25Å
103E94.3Very high96.4Very high133 Ų13346.2 Ų46.262%0.62123%0.232SC*.THydrogen-bonded Turntrans-89.9-20.3-172.7-62.1-6014900114.4T101 K129T101-E103 PolarHBondContact O-N 3.16Å; E103-K129 HydrophobicContact CB-CD 4.34Å; E103-K129 PolarHBondContact O-NZ 2.64Å
104C96.1Very high96.6Very high23 Ų2346.2 Ų46.216%0.15523%0.231CC..THydrogen-bonded Turntrans-137.5-2.7-175.743.30000114.7T101 H106 C124 C127 K129T101-C104 PolarHBondContact OG1-SG 3.08Å; C104-H106 PolarHBondContact O-N 3.43Å; C104-C124 VanDerWaalsContact SG-SG 3.69Å; C104-C127 VanDerWaalsContact CB-SG 3.57Å; C104-C127 PolarHBondContact SG-SG 3.49Å; C104-K129 HydrophobicContact CB-CD 3.95Å
105L96.9Very high96.8Very high110 Ų11048.9 Ų48.958%0.57625%0.248SC*.  trans54.222.6178.5-55.9178.8000114.9T100 T101T100-L105 HydrophobicContact CG2-CB 4.29Å; T100-L105 HydrophobicContact CG2-CD2 4.04Å; T101-L105 VanDerWaalsContact O-CA 3.25Å; T101-L105 WeakPolarHBondContact O-CA 3.38Å; T101-L105 PolarHBondContact O-N 3.21Å; T101-L105 PolarHBondContact OG1-N 2.88Å; T101-L105 VanDerWaalsContact OG1-N 3.14Å
106H97.6Very high96.8Very high58 Ų5850.1 Ų50.127%0.26926%0.259SS..  trans-74.2141171.1-69.9127.8000110.1T100 T101 C104 F108 C124 C127T100-H106 WeakPolarHBondContact CA-O 3.27Å; T101-H106 PolarHBondContact N-O 2.89Å; T101-H106 PolarHBondContact OG1-N 3.29Å; T101-H106 PolarHBondContact OG1-O 3.47Å; C104-H106 PolarHBondContact O-N 3.43Å; H106-F108 HydrophobicContact CB-CE2 3.72Å; H106-F108 HydrophobicContact CB-CZ 3.84Å; H106-C124 PolarHBondContact ND1-SG 3.4Å; H106-C127 VanDerWaalsContact CE1-CB 3.49Å; H106-C127 WeakPolarHBondContact CE1-CB 3.47Å; H106-C127 PolarHBondContact CE1-SG 2.76Å; H106-C127 PolarHBondContact ND1-SG 3.43Å
107R98.1Very high96.8Very high88 Ų8846.7 Ų46.733%0.33224%0.244SC..EExtended strand (participates in β ladder)trans-109.8139.5-172.3-65.1-177176.3830.4110.9P89 L95 T98 M99 T100 D140P89-R107 WeakPolarHBondContact CD-O 3.45Å; L95-R107 HydrophobicContact CD1-CB 3.82Å; L95-R107 HydrophobicContact CD2-CB 4.28Å; T98-R107 HydrophobicContact CG2-CB 3.89Å; T98-R107 HydrophobicContact CG2-CG 4.04Å; M99-R107 WeakPolarHBondContact O-CA 3.18Å; T100-R107 HydrophobicContact CG2-CG 4.37Å; R107-D140 IonicContact NE-OD2 3.67Å; R107-D140 IonicContact NH2-OD2 3.94Å
108F98.2Very high96.6Very high0 Ų050.9 Ų50.90%025%0.252CS..EExtended strand (participates in β ladder)trans-145.7158.9179.6-53.7-81.8000110.4P89 I90 L95 M99 T101 H106 I113 P125 T126P89-F108 HydrophobicContact CB-CE1 4.16Å; P89-F108 HydrophobicContact CG-CD1 4.34Å; P89-F108 HydrophobicContact CG-CE1 3.97Å; I90-F108 HydrophobicContact CD1-CB 4.26Å; I90-F108 HydrophobicContact CD1-CD1 3.48Å; I90-F108 VanDerWaalsContact CD1-CD1 3.48Å; I90-F108 HydrophobicContact CD1-CE1 4.14Å; I90-F108 HydrophobicContact CD1-CG 4.08Å; I90-F108 HydrophobicContact CG1-CD1 3.79Å; I90-F108 HydrophobicContact CG1-CE1 4.19Å; L95-F108 VanDerWaalsContact CD2-CA 3.41Å; M99-F108 PolarHBondContact N-O 3.44Å; M99-F108 PolarHBondContact O-N 2.72Å; T101-F108 HydrophobicContact CG2-CD2 4.45Å; T101-F108 HydrophobicContact CG2-CE2 3.91Å; H106-F108 HydrophobicContact CB-CE2 3.72Å; H106-F108 HydrophobicContact CB-CZ 3.84Å; F108-I113 HydrophobicContact CB-CB 3.73Å; F108-I113 HydrophobicContact CB-CG1 4.43Å; F108-I113 HydrophobicContact CB-CG2 4.21Å; F108-I113 HydrophobicContact CD2-CB 4.27Å; F108-I113 HydrophobicContact CD2-CD1 3.84Å; F108-I113 HydrophobicContact CD2-CG1 4.04Å; F108-I113 HydrophobicContact CE2-CD1 4.12Å; F108-I113 HydrophobicContact CG-CB 4.11Å; F108-I113 HydrophobicContact CG-CD1 4.12Å; F108-I113 HydrophobicContact CG-CG1 4.33Å; F108-P125 HydrophobicContact CE1-CB 3.95Å; F108-P125 HydrophobicContact CE1-CG 4.07Å; F108-P125 HydrophobicContact CZ-CB 4.24Å; F108-P125 HydrophobicContact CZ-CG 4.2Å; F108-T126 VanDerWaalsContact CZ-OG1 3.3Å; F108-T126 WeakPolarHBondContact CZ-OG1 3.16Å
109C98.3Very high96.2Very high9 Ų955.2 Ų55.26%0.06128%0.283CS..EExtended strand (participates in β ladder)trans-64.3145.1166.1-54.60000110C88 K96 D111 C112 I113C88-C109 VanDerWaalsContact CB-SG 3.55Å; C88-C109 PolarHBondContact SG-N 2.96Å; C88-C109 VanDerWaalsContact SG-N 3.39Å; K96-C109 PolarHBondContact N-SG 3.1Å; K96-C109 WeakPolarHBondContact O-CA 3.48Å; K96-C109 WeakPolarHBondContact O-CB 3.34Å; C109-D111 VanDerWaalsContact C-N 3.33Å; C109-D111 PolarHBondContact O-N 2.93Å; C109-C112 HydrophobicContact CB-CB 3.96Å; C109-C112 PolarHBondContact O-N 3.3Å; C109-I113 WeakPolarHBondContact O-CG2 3.3Å; C109-I113 PolarHBondContact O-N 3.38Å
110A97.6Very high95.5Very high17 Ų1756.7 Ų56.714%0.1430%0.301CS..Hα-helixtrans-53.2-50179.700000112.6K96 N97 M99 C112 I114K96-A110 PolarHBondContact O-N 3.35Å; N97-A110 HydrophobicContact CB-CB 4Å; N97-A110 WeakPolarHBondContact O-CB 3.37Å; N97-A110 PolarHBondContact O-N 3.14Å; N97-A110 VanDerWaalsContact O-N 3.09Å; M99-A110 HydrophobicContact CG-CB 3.75Å; A110-C112 VanDerWaalsContact C-N 3.33Å; A110-C112 PolarHBondContact O-N 3.4Å; A110-I114 VanDerWaalsContact O-CB 3.3Å; A110-I114 WeakPolarHBondContact O-CB 3.36Å; A110-I114 VanDerWaalsContact O-CD1 3.32Å; A110-I114 WeakPolarHBondContact O-CD1 3.06Å; A110-I114 WeakPolarHBondContact O-CG1 3.31Å; A110-I114 PolarHBondContact O-N 3.48Å
111D97.5Very high95Very high122 Ų12261.2 Ų61.265%0.65233%0.325SS*.Hα-helixtrans-66.2-37.5-178-62.3-27.3000112.1C109 T115C109-D111 VanDerWaalsContact C-N 3.33Å; C109-D111 PolarHBondContact O-N 2.93Å; D111-T115 WeakPolarHBondContact O-CB 3.49Å; D111-T115 PolarHBondContact O-N 3.04Å; D111-T115 PolarHBondContact O-OG1 3.03Å
112C97.8Very high94.8Very high25 Ų2565.9 Ų65.917%0.16935%0.345CS..Hα-helixtrans-64.2-52.7179.8-70.80000111.5I90 C109 A110 T115 A116I90-C112 HydrophobicContact CB-CB 3.9Å; I90-C112 HydrophobicContact CD1-CB 3.72Å; I90-C112 HydrophobicContact CG1-CB 4.42Å; I90-C112 HydrophobicContact CG2-CB 3.89Å; C109-C112 HydrophobicContact CB-CB 3.96Å; C109-C112 PolarHBondContact O-N 3.3Å; A110-C112 VanDerWaalsContact C-N 3.33Å; A110-C112 PolarHBondContact O-N 3.4Å; C112-T115 PolarHBondContact O-N 3.26Å; C112-A116 WeakPolarHBondContact O-CB 3.42Å; C112-A116 PolarHBondContact O-N 3.27Å
113I97Very high94.7Very high0 Ų064.7 Ų64.70%034%0.341CS..Hα-helixtrans-71.8-33.8-177.3-168.460.4000112.5I90 M99 F108 C109 A116 L117 P125 L131 L137I90-I113 HydrophobicContact CD1-CD1 4.44Å; M99-I113 HydrophobicContact CB-CG2 3.8Å; M99-I113 HydrophobicContact CG-CG2 4.19Å; F108-I113 HydrophobicContact CB-CB 3.73Å; F108-I113 HydrophobicContact CB-CG1 4.43Å; F108-I113 HydrophobicContact CB-CG2 4.21Å; F108-I113 HydrophobicContact CD2-CB 4.27Å; F108-I113 HydrophobicContact CD2-CD1 3.84Å; F108-I113 HydrophobicContact CD2-CG1 4.04Å; F108-I113 HydrophobicContact CE2-CD1 4.12Å; F108-I113 HydrophobicContact CG-CB 4.11Å; F108-I113 HydrophobicContact CG-CD1 4.12Å; F108-I113 HydrophobicContact CG-CG1 4.33Å; C109-I113 WeakPolarHBondContact O-CG2 3.3Å; C109-I113 PolarHBondContact O-N 3.38Å; I113-A116 PolarHBondContact O-N 2.98Å; I113-L117 WeakPolarHBondContact O-CB 3.37Å; I113-L117 VanDerWaalsContact O-CG 3.32Å; I113-L117 WeakPolarHBondContact O-CG 3.28Å; I113-L117 PolarHBondContact O-N 3.29Å; I113-P125 HydrophobicContact CD1-CG 3.91Å; I113-L131 HydrophobicContact CD1-CD1 4.35Å; I113-L137 HydrophobicContact CB-CD1 4.37Å; I113-L137 HydrophobicContact CG1-CD1 3.7Å; I113-L137 HydrophobicContact CG1-CD2 4.1Å; I113-L137 HydrophobicContact CG2-CD1 3.7Å
114I95.4Very high94.9Very high61 Ų6158.4 Ų58.431%0.31331%0.312SS..Hα-helixtrans-66.3-42175.7-68.3168.2000110.1A110 L117 R118 K134A110-I114 VanDerWaalsContact O-CB 3.3Å; A110-I114 WeakPolarHBondContact O-CB 3.36Å; A110-I114 VanDerWaalsContact O-CD1 3.32Å; A110-I114 WeakPolarHBondContact O-CD1 3.06Å; A110-I114 WeakPolarHBondContact O-CG1 3.31Å; A110-I114 PolarHBondContact O-N 3.48Å; I114-L117 PolarHBondContact O-N 3.37Å; I114-R118 PolarHBondContact O-N 2.69Å; I114-R118 VanDerWaalsContact O-N 3.11Å; I114-K134 HydrophobicContact CD1-CD 4.41Å
115T95.5Very high94.8Very high70 Ų7059.5 Ų59.543%0.42932%0.318SS..Hα-helixtrans-63.5-46.9175.7-60.60000111.2D111 C112 L117 R118 S119D111-T115 WeakPolarHBondContact O-CB 3.49Å; D111-T115 PolarHBondContact O-N 3.04Å; D111-T115 PolarHBondContact O-OG1 3.03Å; C112-T115 PolarHBondContact O-N 3.26Å; T115-L117 VanDerWaalsContact C-N 3.33Å; T115-L117 PolarHBondContact O-N 2.9Å; T115-R118 WeakPolarHBondContact O-CA 3.47Å; T115-R118 WeakPolarHBondContact O-CB 3.3Å; T115-R118 PolarHBondContact O-N 2.93Å; T115-S119 PolarHBondContact O-N 3.01Å; T115-S119 VanDerWaalsContact O-N 3.16Å; T115-S119 PolarHBondContact O-OG 3.44Å
116A94.6Very high94.7Very high29 Ų2957.3 Ų57.324%0.2431%0.31CS..Hα-helixtrans-58.3-43.2177.100000112.4I90 C112 I113 R118 S119 P125I90-A116 HydrophobicContact CD1-CB 4.38Å; C112-A116 WeakPolarHBondContact O-CB 3.42Å; C112-A116 PolarHBondContact O-N 3.27Å; I113-A116 PolarHBondContact O-N 2.98Å; A116-R118 PolarHBondContact O-N 3.47Å; A116-S119 WeakPolarHBondContact O-CB 3.27Å; A116-S119 PolarHBondContact O-N 2.98Å; A116-P125 HydrophobicContact CB-CG 4.44Å
117L94Very high94.7Very high11 Ų1156.8 Ų56.86%0.05831%0.312CS..Hα-helixtrans-66.3-25.9175.9-72.2177000112.8I113 I114 T115 K122 L131 L137I113-L117 WeakPolarHBondContact O-CB 3.37Å; I113-L117 VanDerWaalsContact O-CG 3.32Å; I113-L117 WeakPolarHBondContact O-CG 3.28Å; I113-L117 PolarHBondContact O-N 3.29Å; I114-L117 PolarHBondContact O-N 3.37Å; T115-L117 VanDerWaalsContact C-N 3.33Å; T115-L117 PolarHBondContact O-N 2.9Å; L117-K122 PolarHBondContact O-NZ 2.99Å; L117-L131 HydrophobicContact CD2-CB 3.91Å; L117-L131 HydrophobicContact CD2-CD1 4.39Å; L117-L137 HydrophobicContact CD1-CD1 3.88Å
118R92.5Very high94.5Very high200 Ų20060.3 Ų60.376%0.75533%0.325SS*.Hα-helixtrans-75.1-28.9176.1-168.8172.363.496.80.1112.1I114 T115 A116 G120I114-R118 PolarHBondContact O-N 2.69Å; I114-R118 VanDerWaalsContact O-N 3.11Å; T115-R118 WeakPolarHBondContact O-CA 3.47Å; T115-R118 WeakPolarHBondContact O-CB 3.3Å; T115-R118 PolarHBondContact O-N 2.93Å; A116-R118 PolarHBondContact O-N 3.47Å; R118-G120 PolarHBondContact O-N 2.91Å
119S89.6Confident94.4Very high93 Ų9365.4 Ų65.465%0.6535%0.347SS*.THydrogen-bonded Turntrans-65.6-2.7177.8-53.60000114.8T115 A116T115-S119 PolarHBondContact O-N 3.01Å; T115-S119 VanDerWaalsContact O-N 3.16Å; T115-S119 PolarHBondContact O-OG 3.44Å; A116-S119 WeakPolarHBondContact O-CB 3.27Å; A116-S119 PolarHBondContact O-N 2.98Å
120G83.4Confident94.2Very high45 Ų4572.8 Ų72.846%0.46438%0.378SS..SBendtrans104.6-23.617100000114.4R118 K122R118-G120 PolarHBondContact O-N 2.91Å; G120-K122 PolarHBondContact O-N 3.34Å
121N86.6Confident94.1Very high107 Ų10772 Ų7257%0.57237%0.372SS*.  trans-83.7102.2-179.2-63.8-6.2000110.3E123N121-E123 HydrophobicContact CB-CG 4.31Å; N121-E123 PolarHBondContact O-N 3.47Å
122K93.1Very high93.8Very high98 Ų9870.8 Ų70.843%0.42637%0.369SS..  trans-83.454-177-58.5-54.2-179.1-171.40112L117 G120 L131L117-K122 PolarHBondContact O-NZ 2.99Å; G120-K122 PolarHBondContact O-N 3.34Å; K122-L131 CarbonylContact C-O 3.53Å; K122-L131 WeakPolarHBondContact CA-O 3.48Å; K122-L131 VanDerWaalsContact CB-O 3.31Å; K122-L131 WeakPolarHBondContact CB-O 3.05Å; K122-L131 CarbonylContact O-C 3.54Å; K122-L131 PolarHBondContact O-N 2.94Å
123E95.5Very high93.5Very high60 Ų6071.9 Ų71.928%0.2838%0.377SS..BIsolated β-bridgetrans-140.2159.7-177.263177.5-166.700111.9N121 P125 R128 K129N121-E123 HydrophobicContact CB-CG 4.31Å; N121-E123 PolarHBondContact O-N 3.47Å; E123-P125 WeakPolarHBondContact O-CD 3.39Å; E123-R128 VanDerWaalsContact CD-CD 3.46Å; E123-R128 WeakPolarHBondContact OE1-CD 3.45Å; E123-R128 IonicContact OE1-CZ 3.64Å; E123-R128 IonicContact OE1-NE 3.81Å; E123-R128 IonicContact OE1-NH1 2.71Å; E123-R128 PolarHBondContact OE1-NH1 3.33Å; E123-K129 CarbonylContact C-O 3.52Å; E123-K129 WeakPolarHBondContact CA-O 3.46Å
124C96.8Very high93.3Very high0 Ų078.1 Ų78.10%040%0.404CS..  trans-70.2125.7175.3178.80000110.1C104 H106 T126 R128 K129 L131C104-C124 VanDerWaalsContact SG-SG 3.69Å; H106-C124 PolarHBondContact ND1-SG 3.4Å; C124-T126 PolarHBondContact O-N 2.97Å; C124-T126 VanDerWaalsContact O-N 3.15Å; C124-R128 VanDerWaalsContact O-CA 3.24Å; C124-R128 WeakPolarHBondContact O-CA 3.22Å; C124-R128 PolarHBondContact O-N 2.95Å; C124-K129 PolarHBondContact N-O 3.01Å; C124-L131 HydrophobicContact CB-CD1 3.95Å; C124-L131 HydrophobicContact CB-CG 4.17Å
125P95.1Very high93.2Very high46 Ų4684.9 Ų84.930%0.29943%0.425SS..THydrogen-bonded Turntrans-58.1-29.3179.4-29.537.7000114.4I90 F108 I113 A116 E123I90-P125 HydrophobicContact CD1-CG 4.05Å; I90-P125 HydrophobicContact CG1-CB 4.29Å; I90-P125 HydrophobicContact CG1-CG 4.32Å; F108-P125 HydrophobicContact CE1-CB 3.95Å; F108-P125 HydrophobicContact CE1-CG 4.07Å; F108-P125 HydrophobicContact CZ-CB 4.24Å; F108-P125 HydrophobicContact CZ-CG 4.2Å; I113-P125 HydrophobicContact CD1-CG 3.91Å; A116-P125 HydrophobicContact CB-CG 4.44Å; E123-P125 WeakPolarHBondContact O-CD 3.39Å
126T95.7Very high93.2Very high65 Ų6582.6 Ų82.640%0.39941%0.412SS..THydrogen-bonded Turntrans-84.5-47.5-177.5-490000113.1F108 C124F108-T126 VanDerWaalsContact CZ-OG1 3.3Å; F108-T126 WeakPolarHBondContact CZ-OG1 3.16Å; C124-T126 PolarHBondContact O-N 2.97Å; C124-T126 VanDerWaalsContact O-N 3.15Å
127C96.1Very high93.3Very high46 Ų4681.7 Ų81.731%0.31140%0.403SS..THydrogen-bonded Turntrans-1257.8-171.468.30000115.1C104 H106 K129C104-C127 VanDerWaalsContact CB-SG 3.57Å; C104-C127 PolarHBondContact SG-SG 3.49Å; H106-C127 VanDerWaalsContact CE1-CB 3.49Å; H106-C127 WeakPolarHBondContact CE1-CB 3.47Å; H106-C127 PolarHBondContact CE1-SG 2.76Å; H106-C127 PolarHBondContact ND1-SG 3.43Å; C127-K129 PolarHBondContact O-N 3.36Å
128R94.9Very high93.5Very high163 Ų16388.8 Ų88.862%0.61543%0.429SS*.  trans59.77.8175.7-49.2-65.8176.9145.33.8115.6E123 C124E123-R128 VanDerWaalsContact CD-CD 3.46Å; E123-R128 WeakPolarHBondContact OE1-CD 3.45Å; E123-R128 IonicContact OE1-CZ 3.64Å; E123-R128 IonicContact OE1-NE 3.81Å; E123-R128 IonicContact OE1-NH1 2.71Å; E123-R128 PolarHBondContact OE1-NH1 3.33Å; C124-R128 VanDerWaalsContact O-CA 3.24Å; C124-R128 WeakPolarHBondContact O-CA 3.22Å; C124-R128 PolarHBondContact O-N 2.95Å
129K95Very high93.7Very high106 Ų10683.9 Ų83.946%0.46142%0.424SS..  trans-59.3141.9169.5-72-165.6-163.5-179.40110.5E103 C104 E123 C124 C127 L131E103-K129 HydrophobicContact CB-CD 4.34Å; E103-K129 PolarHBondContact O-NZ 2.64Å; C104-K129 HydrophobicContact CB-CD 3.95Å; E123-K129 CarbonylContact C-O 3.52Å; E123-K129 WeakPolarHBondContact CA-O 3.46Å; C124-K129 PolarHBondContact N-O 3.01Å; C127-K129 PolarHBondContact O-N 3.36Å; K129-L131 PolarHBondContact O-N 3.33Å
130K95.1Very high94.1Very high164 Ų16481 Ų8171%0.71340%0.401SS*.BIsolated β-bridgetrans-61.6127.5-175.2-168.6170.9-175.9174.40112.3
131L94.9Very high94.8Very high0 Ų082.9 Ų82.90%041%0.405CS..  trans-120.593.9174.2-66.2-177.1000109.5T101 I113 L117 K122 C124 K129 S133 L137T101-L131 HydrophobicContact CG2-CD1 3.81Å; T101-L131 HydrophobicContact CG2-CD2 3.87Å; T101-L131 HydrophobicContact CG2-CG 4.48Å; I113-L131 HydrophobicContact CD1-CD1 4.35Å; L117-L131 HydrophobicContact CD2-CB 3.91Å; L117-L131 HydrophobicContact CD2-CD1 4.39Å; K122-L131 CarbonylContact C-O 3.53Å; K122-L131 WeakPolarHBondContact CA-O 3.48Å; K122-L131 VanDerWaalsContact CB-O 3.31Å; K122-L131 WeakPolarHBondContact CB-O 3.05Å; K122-L131 CarbonylContact O-C 3.54Å; K122-L131 PolarHBondContact O-N 2.94Å; C124-L131 HydrophobicContact CB-CD1 3.95Å; C124-L131 HydrophobicContact CB-CG 4.17Å; K129-L131 PolarHBondContact O-N 3.33Å; L131-S133 VanDerWaalsContact C-N 3.32Å; L131-S133 PolarHBondContact O-N 3.08Å; L131-L137 HydrophobicContact CD1-CD2 4.32Å
132V90.9Very high95.2Very high97 Ų9784.1 Ų84.159%0.58841%0.411SS*.  trans-58.4-41.9-173.1-178.90000112.3S136V132-S136 PolarHBondContact N-OG 3.29Å
133S91.9Very high95.4Very high48 Ų4880.7 Ų80.734%0.33640%0.397SS..SBendtrans-165.6-174.3179.266.60000111.6L131 R135 S136L131-S133 VanDerWaalsContact C-N 3.32Å; L131-S133 PolarHBondContact O-N 3.08Å; S133-R135 PolarHBondContact O-N 3.46Å; S133-R135 WeakPolarHBondContact OG-CB 3.41Å; S133-R135 PolarHBondContact OG-N 3.39Å; S133-S136 VanDerWaalsContact O-CB 3.32Å; S133-S136 WeakPolarHBondContact O-CB 3.11Å; S133-S136 PolarHBondContact O-N 3.15Å
134K92.9Very high95.3Very high131 Ų13179.7 Ų79.757%0.5739%0.393SS*.G310 helixtrans-52-25.9169.5-171.9174.8179.8177.10113I114 S136 L137I114-K134 HydrophobicContact CD1-CD 4.41Å; K134-S136 PolarHBondContact O-N 3.34Å; K134-L137 WeakPolarHBondContact O-CB 3.4Å; K134-L137 PolarHBondContact O-N 2.94Å; K134-L137 VanDerWaalsContact O-N 3.09Å
135R94.2Very high95.2Very high203 Ų20382.2 Ų82.277%0.76641%0.414SS*.G310 helixtrans-63.5-23.8175.1-175.9-177.7-66.4-84.50.2113.2K102 S133 L137K102-R135 WeakPolarHBondContact CE-O 3.34Å; K102-R135 PolarHBondContact NZ-O 3.2Å; S133-R135 PolarHBondContact O-N 3.46Å; S133-R135 WeakPolarHBondContact OG-CB 3.41Å; S133-R135 PolarHBondContact OG-N 3.39Å; R135-L137 PolarHBondContact O-N 3.45Å
136S94.8Very high95Very high23 Ų2384.2 Ų84.216%0.16142%0.422CS..G310 helixtrans-76.4-3.7176.4-58.40000113K102 V132 S133 K134K102-S136 WeakPolarHBondContact CG-O 3.29Å; K102-S136 PolarHBondContact N-O 3.3Å; V132-S136 PolarHBondContact N-OG 3.29Å; S133-S136 VanDerWaalsContact O-CB 3.32Å; S133-S136 WeakPolarHBondContact O-CB 3.11Å; S133-S136 PolarHBondContact O-N 3.15Å; K134-S136 PolarHBondContact O-N 3.34Å
137L96.8Very high94.8Very high9 Ų981.4 Ų81.45%0.04740%0.404CS..EExtended strand (participates in β ladder)trans-110.2160.5178.6-51.9173.3000110.9M99 T100 T101 I113 L117 L131 K134 R135M99-L137 HydrophobicContact CE-CB 3.65Å; M99-L137 HydrophobicContact CE-CD1 4.07Å; T100-L137 CarbonylContact O-C 3.41Å; T100-L137 WeakPolarHBondContact O-CA 3.45Å; T101-L137 HydrophobicContact CG2-CD2 3.63Å; I113-L137 HydrophobicContact CB-CD1 4.37Å; I113-L137 HydrophobicContact CG1-CD1 3.7Å; I113-L137 HydrophobicContact CG1-CD2 4.1Å; I113-L137 HydrophobicContact CG2-CD1 3.7Å; L117-L137 HydrophobicContact CD1-CD1 3.88Å; L131-L137 HydrophobicContact CD1-CD2 4.32Å; K134-L137 WeakPolarHBondContact O-CB 3.4Å; K134-L137 PolarHBondContact O-N 2.94Å; K134-L137 VanDerWaalsContact O-N 3.09Å; R135-L137 PolarHBondContact O-N 3.45Å
138R97.4Very high94.5Very high160 Ų16082.7 Ų82.760%0.60441%0.414SS*.EExtended strand (participates in β ladder)trans-136145164.8-64.9-152.4-174.2115.1-2110.5M99 T100 K102M99-R138 WeakPolarHBondContact CA-O 3.44Å; T100-R138 PolarHBondContact N-O 2.75Å; T100-R138 PolarHBondContact O-N 2.85Å; K102-R138 HydrophobicContact CD-CG 4.44Å; K102-R138 HydrophobicContact CG-CG 4.25Å
139P97.9Very high94.2Very high98 Ų9883.2 Ų83.264%0.63642%0.42SS*.EExtended strand (participates in β ladder)trans-61.8144.4164.7-18.131.2000110.9T98 M99 P141T98-P139 WeakPolarHBondContact O-CA 3.42Å; M99-P139 HydrophobicContact SD-CB 4.11Å; M99-P139 HydrophobicContact SD-CG 3.89Å; P139-P141 WeakPolarHBondContact O-CD 3.49Å
140D97.8Very high93.8Very high33 Ų3381.1 Ų81.118%0.17641%0.414CS..  trans-124.474.6178.8-165.2-13.8000111T98 T100 R107 N142 F143 D144T98-D140 HydrophobicContact CG2-CB 4.24Å; T98-D140 PolarHBondContact O-N 2.88Å; T100-D140 WeakPolarHBondContact OG1-CB 3.34Å; T100-D140 PolarHBondContact OG1-OD2 2.94Å; R107-D140 IonicContact NE-OD2 3.67Å; R107-D140 IonicContact NH2-OD2 3.94Å; D140-N142 PolarHBondContact O-N 3.14Å; D140-F143 HydrophobicContact CB-CB 4.18Å; D140-F143 PolarHBondContact O-N 3.26Å; D140-F143 PolarHBondContact OD1-N 3.38Å; D140-D144 PolarHBondContact O-N 3.27Å
141P96.8Very high93.3Very high83 Ų8374.3 Ų74.354%0.53938%0.384SS..Hα-helixtrans-67.6-22.3-177.328.5-35.7000112.9P139 F143 D144 A145P139-P141 WeakPolarHBondContact O-CD 3.49Å; P141-F143 VanDerWaalsContact C-N 3.33Å; P141-D144 PolarHBondContact O-N 3.15Å; P141-A145 WeakPolarHBondContact O-CB 3.41Å; P141-A145 PolarHBondContact O-N 2.96Å
142N96.8Very high92.6Very high133 Ų13379.8 Ų79.871%0.71142%0.419SS*.Hα-helixtrans-67.4-38.9175.3-69.2-17.9000110.5D140 A145 L146D140-N142 PolarHBondContact O-N 3.14Å; N142-A145 PolarHBondContact O-N 3.5Å; N142-L146 PolarHBondContact O-N 3.13Å
143F95.9Very high91.8Very high27 Ų2777.8 Ų77.812%0.11841%0.409CS..Hα-helixtrans-69.5-39.6175.5-157-99.5000112L86 L95 T98 D140 P141 A145 L146 I147L86-F143 HydrophobicContact CD2-CE1 3.89Å; L86-F143 HydrophobicContact CD2-CZ 3.66Å; L95-F143 HydrophobicContact CD1-CD1 4.22Å; L95-F143 HydrophobicContact CD1-CE1 3.63Å; T98-F143 HydrophobicContact CG2-CD1 4.06Å; D140-F143 HydrophobicContact CB-CB 4.18Å; D140-F143 PolarHBondContact O-N 3.26Å; D140-F143 PolarHBondContact OD1-N 3.38Å; P141-F143 VanDerWaalsContact C-N 3.33Å; F143-A145 VanDerWaalsContact C-N 3.31Å; F143-A145 PolarHBondContact O-N 3.43Å; F143-L146 HydrophobicContact CD2-CD2 4.43Å; F143-L146 HydrophobicContact CE2-CD2 4.41Å; F143-L146 WeakPolarHBondContact O-CB 3.15Å; F143-L146 PolarHBondContact O-N 3.3Å; F143-I147 HydrophobicContact CD1-CD1 3.67Å; F143-I147 HydrophobicContact CD1-CG1 4.23Å; F143-I147 HydrophobicContact CE1-CD1 3.81Å; F143-I147 HydrophobicContact CE1-CG1 4.23Å; F143-I147 WeakPolarHBondContact O-CG1 3.34Å; F143-I147 PolarHBondContact O-N 3.39Å
144D94.4Very high90.7Very high38 Ų3877.3 Ų77.320%0.20340%0.4CS..Hα-helixtrans-61.7-39.6173.4-68.6-26.2000111.8N97 T98 D140 P141 I147 S148N97-D144 WeakPolarHBondContact CA-OD2 3.38Å; T98-D144 WeakPolarHBondContact CB-OD1 3.19Å; T98-D144 PolarHBondContact N-OD1 3.2Å; T98-D144 PolarHBondContact N-OD2 3.14Å; T98-D144 VanDerWaalsContact N-OD2 3.13Å; T98-D144 PolarHBondContact OG1-OD1 3.28Å; D140-D144 PolarHBondContact O-N 3.27Å; P141-D144 PolarHBondContact O-N 3.15Å; D144-I147 PolarHBondContact O-N 2.86Å; D144-S148 PolarHBondContact O-N 3.38Å; D144-S148 PolarHBondContact O-OG 3.23Å
145A93.9Very high89.6Confident54 Ų5477.1 Ų77.145%0.44641%0.405SS..Hα-helixtrans-65.9-38.9174.900000112.1P141 N142 F143 S148 K149P141-A145 WeakPolarHBondContact O-CB 3.41Å; P141-A145 PolarHBondContact O-N 2.96Å; N142-A145 PolarHBondContact O-N 3.5Å; F143-A145 VanDerWaalsContact C-N 3.31Å; F143-A145 PolarHBondContact O-N 3.43Å; A145-S148 PolarHBondContact O-N 2.9Å; A145-K149 WeakPolarHBondContact O-CG 3.44Å; A145-K149 PolarHBondContact O-N 3.34Å
146L91.8Very high88.6Confident87 Ų8774 Ų7446%0.45540%0.399SS..Hα-helixtrans-62.2-47173.7177.963.3000111.2N142 F143 S148 K149 I150N142-L146 PolarHBondContact O-N 3.13Å; F143-L146 HydrophobicContact CD2-CD2 4.43Å; F143-L146 HydrophobicContact CE2-CD2 4.41Å; F143-L146 WeakPolarHBondContact O-CB 3.15Å; F143-L146 PolarHBondContact O-N 3.3Å; L146-S148 VanDerWaalsContact C-N 3.27Å; L146-S148 PolarHBondContact O-N 2.86Å; L146-K149 PolarHBondContact O-N 2.92Å; L146-K149 VanDerWaalsContact O-N 3.09Å; L146-I150 HydrophobicContact CD1-CD1 3.92Å; L146-I150 HydrophobicContact CD1-CG1 4.33Å; L146-I150 HydrophobicContact CG-CD1 3.86Å; L146-I150 WeakPolarHBondContact O-CG1 3.32Å; L146-I150 PolarHBondContact O-N 3.47Å
147I91.1Very high87.5Confident7 Ų776.7 Ų76.74%0.03641%0.407CS..Hα-helixtrans-56.2-45.5175-70165.4000110.3L86 M94 L95 F143 D144 K149 I150 Y151L86-I147 HydrophobicContact CD2-CG1 3.94Å; M94-I147 HydrophobicContact CG-CG2 4.08Å; M94-I147 HydrophobicContact SD-CG2 3.56Å; M94-I147 VanDerWaalsContact SD-CG2 3.56Å; L95-I147 HydrophobicContact CB-CD1 3.88Å; F143-I147 HydrophobicContact CD1-CD1 3.67Å; F143-I147 HydrophobicContact CD1-CG1 4.23Å; F143-I147 HydrophobicContact CE1-CD1 3.81Å; F143-I147 HydrophobicContact CE1-CG1 4.23Å; F143-I147 WeakPolarHBondContact O-CG1 3.34Å; F143-I147 PolarHBondContact O-N 3.39Å; D144-I147 PolarHBondContact O-N 2.86Å; I147-K149 VanDerWaalsContact C-N 3.26Å; I147-K149 PolarHBondContact O-N 3.01Å; I147-I150 PolarHBondContact O-N 3.09Å; I147-Y151 PolarHBondContact O-N 3.33Å
148S89.8Confident86.3Confident72 Ų7278.5 Ų78.550%0.50342%0.415SS..Hα-helixtrans-65.7-27179.8-54.10000113.1D144 A145 L146 Y151 P152D144-S148 PolarHBondContact O-N 3.38Å; D144-S148 PolarHBondContact O-OG 3.23Å; A145-S148 PolarHBondContact O-N 2.9Å; L146-S148 VanDerWaalsContact C-N 3.27Å; L146-S148 PolarHBondContact O-N 2.86Å; S148-Y151 CarbonylContact O-C 3.55Å; S148-P152 VanDerWaalsContact O-CA 3.27Å; S148-P152 WeakPolarHBondContact O-CA 3.23Å
149K88.1Confident85.3Confident174 Ų17472.7 Ų72.776%0.75740%0.401SS*.Hα-helixtrans-78.2-34.9174.6-72.1-65.7-175.7-177.20112.6A145 L146 I147A145-K149 WeakPolarHBondContact O-CG 3.44Å; A145-K149 PolarHBondContact O-N 3.34Å; L146-K149 PolarHBondContact O-N 2.92Å; L146-K149 VanDerWaalsContact O-N 3.09Å; I147-K149 VanDerWaalsContact C-N 3.26Å; I147-K149 PolarHBondContact O-N 3.01Å
150I86.4Confident84.4Confident62 Ų6273.3 Ų73.332%0.31840%0.395SS..Hα-helixtrans-77-36.6177.4-61165.9000110.5L82 L86 L146 I147L82-I150 HydrophobicContact CD1-CD1 4.22Å; L82-I150 HydrophobicContact CD1-CG2 4.02Å; L86-I150 HydrophobicContact CD1-CD1 4.18Å; L86-I150 HydrophobicContact CD1-CG2 4.49Å; L146-I150 HydrophobicContact CD1-CD1 3.92Å; L146-I150 HydrophobicContact CD1-CG1 4.33Å; L146-I150 HydrophobicContact CG-CD1 3.86Å; L146-I150 WeakPolarHBondContact O-CG1 3.32Å; L146-I150 PolarHBondContact O-N 3.47Å; I147-I150 PolarHBondContact O-N 3.09Å
151Y84.8Confident83.2Confident22 Ų2276.5 Ų76.59%0.08641%0.409CS..  trans-126.380.8179.1-64.3-84.4000110.8P79 L86 M94 I147 S148 S153P79-Y151 HydrophobicContact CB-CE1 3.8Å; P79-Y151 WeakPolarHBondContact CB-OH 3.49Å; P79-Y151 PolarHBondContact O-OH 3.25Å; L86-Y151 HydrophobicContact CD1-CD2 4.31Å; L86-Y151 HydrophobicContact CD1-CE2 3.69Å; M94-Y151 HydrophobicContact CE-CD1 4.06Å; M94-Y151 HydrophobicContact CE-CD2 3.67Å; M94-Y151 HydrophobicContact CE-CE1 4.16Å; M94-Y151 HydrophobicContact CE-CE2 3.8Å; M94-Y151 HydrophobicContact CE-CG 3.81Å; M94-Y151 HydrophobicContact SD-CD2 4.05Å; M94-Y151 HydrophobicContact SD-CG 4.32Å; I147-Y151 PolarHBondContact O-N 3.33Å; S148-Y151 CarbonylContact O-C 3.55Å; Y151-S153 VanDerWaalsContact C-N 3.34Å; Y151-S153 PolarHBondContact O-N 3.02Å
152P79.3Confident82.5Confident114 Ų11479.3 Ų79.374%0.7442%0.415SS*.THydrogen-bonded Turntrans-62.4-34.7-176.6-23.934.6000114.5S148S148-P152 VanDerWaalsContact O-CA 3.27Å; S148-P152 WeakPolarHBondContact O-CA 3.23Å
153S74.9Confident81.8Confident55 Ų5579.6 Ų79.639%0.38541%0.406SS..THydrogen-bonded Turntrans-12073.6177.858.40000111.3Y151 D155 E156 Y157Y151-S153 VanDerWaalsContact C-N 3.34Å; Y151-S153 PolarHBondContact O-N 3.02Å; S153-D155 VanDerWaalsContact C-N 3.35Å; S153-D155 PolarHBondContact O-N 3.41Å; S153-E156 WeakPolarHBondContact CB-OE2 3.27Å; S153-E156 PolarHBondContact O-N 3.44Å; S153-E156 PolarHBondContact OG-OE2 2.84Å; S153-Y157 PolarHBondContact O-N 3.12Å; S153-Y157 VanDerWaalsContact O-N 3.11Å
154R69.9Low81.1Confident38 Ų3880.9 Ų80.914%0.14342%0.416CS..Hα-helixtrans-58.3-43.5178.8179.9164.4179.1166.54113.2D93 M94 L95 E156 Y157 E158D93-R154 IonicContact OD1-NH2 3.75Å; D93-R154 IonicContact OD2-NH2 3.01Å; M94-R154 VanDerWaalsContact C-NH2 3.33Å; M94-R154 VanDerWaalsContact CB-NH2 3.31Å; M94-R154 PolarHBondContact O-NH1 3.05Å; M94-R154 PolarHBondContact O-NH2 3.39Å; M94-R154 HydrophobicContact SD-CG 4.49Å; L95-R154 PolarHBondContact O-NH1 3.02Å; R154-E156 VanDerWaalsContact C-N 3.27Å; R154-E156 PolarHBondContact O-N 2.94Å; R154-Y157 PolarHBondContact O-N 3.28Å; R154-Y157 VanDerWaalsContact O-N 3.16Å; R154-E158 HydrophobicContact CG-CG 4.36Å; R154-E158 IonicContact CZ-OE1 3.99Å; R154-E158 IonicContact NE-OE1 2.64Å; R154-E158 PolarHBondContact NE-OE1 3.24Å; R154-E158 IonicContact NH2-OE1 2.8Å; R154-E158 PolarHBondContact NH2-OE1 3.44Å; R154-E158 PolarHBondContact O-N 3.15Å
155D68.8Low80.5Confident127 Ų12785 Ų8568%0.67944%0.438SS*.Hα-helixtrans-64.8-34-179.1-62.8-24.1000111.6S153 A159S153-D155 VanDerWaalsContact C-N 3.35Å; S153-D155 PolarHBondContact O-N 3.41Å; D155-A159 WeakPolarHBondContact O-CB 3.18Å; D155-A159 PolarHBondContact O-N 2.95Å
156E73.9Confident79.8Confident137 Ų13784.9 Ų84.964%0.6444%0.436SS*.Hα-helixtrans-69.8-38.6174.6-66-180167.900111.6S153 R154 H160S153-E156 WeakPolarHBondContact CB-OE2 3.27Å; S153-E156 PolarHBondContact O-N 3.44Å; S153-E156 PolarHBondContact OG-OE2 2.84Å; R154-E156 VanDerWaalsContact C-N 3.27Å; R154-E156 PolarHBondContact O-N 2.94Å; E156-H160 WeakPolarHBondContact O-CB 3.44Å; E156-H160 PolarHBondContact O-N 3.08Å
157Y70Confident79.2Confident80 Ų8087.4 Ų87.431%0.31444%0.44SS..Hα-helixtrans-67.4-47176.2-173.4-100.8000111.9S153 R154 H160 Q161S153-Y157 PolarHBondContact O-N 3.12Å; S153-Y157 VanDerWaalsContact O-N 3.11Å; R154-Y157 PolarHBondContact O-N 3.28Å; R154-Y157 VanDerWaalsContact O-N 3.16Å; Y157-H160 PolarHBondContact O-N 3.16Å; Y157-Q161 HydrophobicContact CE1-CG 4.21Å; Y157-Q161 PolarHBondContact O-N 3.45Å
158E73.2Confident78.5Confident48 Ų4891.9 Ų91.922%0.22446%0.463CS..Hα-helixtrans-60.4-47.4174.4-75.7-177.8-165.100110.3K96 R154 H160 Q161 E162K96-E158 VanDerWaalsContact CE-OE1 3.29Å; K96-E158 WeakPolarHBondContact CE-OE1 3.41Å; K96-E158 IonicContact NZ-OE1 3.68Å; K96-E158 PolarHBondContact NZ-OE1 3.37Å; K96-E158 IonicContact NZ-OE2 3.06Å; K96-E158 PolarHBondContact NZ-OE2 2.81Å; R154-E158 HydrophobicContact CG-CG 4.36Å; R154-E158 IonicContact CZ-OE1 3.99Å; R154-E158 IonicContact NE-OE1 2.64Å; R154-E158 PolarHBondContact NE-OE1 3.24Å; R154-E158 IonicContact NH2-OE1 2.8Å; R154-E158 PolarHBondContact NH2-OE1 3.44Å; R154-E158 PolarHBondContact O-N 3.15Å; E158-H160 VanDerWaalsContact C-N 3.29Å; E158-H160 PolarHBondContact O-N 3.36Å; E158-Q161 PolarHBondContact O-N 2.84Å; E158-E162 WeakPolarHBondContact O-CB 3.34Å; E158-E162 PolarHBondContact O-N 3.44Å
159A76.4Confident77.8Confident37 Ų3791.3 Ų91.331%0.30646%0.459SS..Hα-helixtrans-64.3-32.3177.100000113D155 R163D155-A159 WeakPolarHBondContact O-CB 3.18Å; D155-A159 PolarHBondContact O-N 2.95Å; A159-R163 VanDerWaalsContact O-CB 3.23Å; A159-R163 WeakPolarHBondContact O-CB 3.25Å; A159-R163 PolarHBondContact O-N 3.47Å; A159-R163 PolarHBondContact O-NH1 2.93Å
160H77.4Confident76.9Confident112 Ų11291.6 Ų91.652%0.51946%0.46SS..Hα-helixtrans-69.6-46174.1-170.389.4000111.4E156 Y157 E158 R163 V164E156-H160 WeakPolarHBondContact O-CB 3.44Å; E156-H160 PolarHBondContact O-N 3.08Å; Y157-H160 PolarHBondContact O-N 3.16Å; E158-H160 VanDerWaalsContact C-N 3.29Å; E158-H160 PolarHBondContact O-N 3.36Å; H160-R163 PolarHBondContact O-N 2.83Å; H160-V164 WeakPolarHBondContact O-CG2 3.33Å; H160-V164 PolarHBondContact O-N 3.33Å
161Q73.5Confident75.9Confident99 Ų9994.6 Ų94.646%0.46347%0.473SS..Hα-helixtrans-59.4-46.6174.6-76.2-169.7-94.200111.6Y157 E158 R163 V164 L165Y157-Q161 HydrophobicContact CE1-CG 4.21Å; Y157-Q161 PolarHBondContact O-N 3.45Å; E158-Q161 PolarHBondContact O-N 2.84Å; Q161-R163 VanDerWaalsContact C-N 3.33Å; Q161-R163 PolarHBondContact O-N 3.37Å; Q161-V164 PolarHBondContact O-N 2.74Å; Q161-L165 WeakPolarHBondContact O-CB 3.32Å; Q161-L165 PolarHBondContact O-N 3.18Å
162E81.5Confident74.9Confident142 Ų14299.1 Ų99.166%0.66450%0.498SS*.Hα-helixtrans-61.4-42.2178.6-170.9176.9-164.300111.3E158 V164 L165 A166E158-E162 WeakPolarHBondContact O-CB 3.34Å; E158-E162 PolarHBondContact O-N 3.44Å; E162-V164 PolarHBondContact O-N 2.82Å; E162-L165 PolarHBondContact O-N 3.13Å; E162-A166 WeakPolarHBondContact O-CB 3.49Å; E162-A166 PolarHBondContact O-N 3Å
163R82.7Confident74.4Confident139 Ų13998.9 Ų98.953%0.52549%0.491SS..Hα-helixtrans-63.1-40.2176.5-171.1-177.1-63.1103.9-1.9112.5A159 H160 Q161 R167A159-R163 VanDerWaalsContact O-CB 3.23Å; A159-R163 WeakPolarHBondContact O-CB 3.25Å; A159-R163 PolarHBondContact O-N 3.47Å; A159-R163 PolarHBondContact O-NH1 2.93Å; H160-R163 PolarHBondContact O-N 2.83Å; Q161-R163 VanDerWaalsContact C-N 3.33Å; Q161-R163 PolarHBondContact O-N 3.37Å; R163-R167 WeakPolarHBondContact O-CB 3.41Å; R163-R167 PolarHBondContact O-N 3.42Å; R163-R167 VanDerWaalsContact O-N 3.08Å
164V82.1Confident74Confident55 Ų55102.9 Ų102.933%0.33350%0.503SS..Hα-helixtrans-69.1-45.5177172.80000110.4H160 Q161 E162 A166 R167 I168H160-V164 WeakPolarHBondContact O-CG2 3.33Å; H160-V164 PolarHBondContact O-N 3.33Å; Q161-V164 PolarHBondContact O-N 2.74Å; E162-V164 PolarHBondContact O-N 2.82Å; V164-A166 PolarHBondContact O-N 3.44Å; V164-R167 WeakPolarHBondContact O-CB 3.46Å; V164-R167 PolarHBondContact O-N 2.86Å; V164-R167 VanDerWaalsContact O-N 3.16Å; V164-I168 HydrophobicContact CG1-CD1 3.98Å; V164-I168 WeakPolarHBondContact O-CG1 3.26Å; V164-I168 PolarHBondContact O-N 2.94Å
165L80.1Confident73.8Confident125 Ų125109 Ų10965%0.65453%0.534SS*.Hα-helixtrans-62.2-42.9178.1-161.983.6000111.3Q161 E162 R167 I168 S169Q161-L165 WeakPolarHBondContact O-CB 3.32Å; Q161-L165 PolarHBondContact O-N 3.18Å; E162-L165 PolarHBondContact O-N 3.13Å; L165-R167 VanDerWaalsContact C-N 3.29Å; L165-R167 PolarHBondContact O-N 2.96Å; L165-I168 PolarHBondContact O-N 3.44Å; L165-S169 WeakPolarHBondContact O-CB 3.35Å; L165-S169 PolarHBondContact O-N 3.08Å; L165-S169 PolarHBondContact O-OG 3.43Å
166A81.1Confident74Confident51 Ų51105.1 Ų105.142%0.42152%0.519SS..Hα-helixtrans-63.6-34.1175.400000112.4E162 V164 S169 K170E162-A166 WeakPolarHBondContact O-CB 3.49Å; E162-A166 PolarHBondContact O-N 3Å; V164-A166 PolarHBondContact O-N 3.44Å; A166-S169 WeakPolarHBondContact CA-OG 3.17Å; A166-S169 PolarHBondContact O-OG 3.08Å; A166-S169 VanDerWaalsContact O-OG 3.09Å; A166-K170 WeakPolarHBondContact O-CB 3.11Å; A166-K170 PolarHBondContact O-N 3.45Å; A166-K170 VanDerWaalsContact O-N 3.1Å
167R78.9Confident74.2Confident139 Ų139103.7 Ų103.753%0.52552%0.515SS..Hα-helixtrans-67.5-45.3172.8-172.8179.2-65.1149.6-0.6110.9R163 V164 L165 K170 H171R163-R167 WeakPolarHBondContact O-CB 3.41Å; R163-R167 PolarHBondContact O-N 3.42Å; R163-R167 VanDerWaalsContact O-N 3.08Å; V164-R167 WeakPolarHBondContact O-CB 3.46Å; V164-R167 PolarHBondContact O-N 2.86Å; V164-R167 VanDerWaalsContact O-N 3.16Å; L165-R167 VanDerWaalsContact C-N 3.29Å; L165-R167 PolarHBondContact O-N 2.96Å; R167-K170 PolarHBondContact O-N 2.99Å; R167-H171 PolarHBondContact O-CD2 3.35Å; R167-H171 PolarHBondContact O-N 2.94Å; R167-H171 VanDerWaalsContact O-N 3.08Å
168I76.6Confident74.6Confident102 Ų102103.1 Ų103.152%0.52352%0.523SS..Hα-helixtrans-63.9-46.3178.4-66.3167.7000110.7V164 L165 K170 H171 N172V164-I168 HydrophobicContact CG1-CD1 3.98Å; V164-I168 WeakPolarHBondContact O-CG1 3.26Å; V164-I168 PolarHBondContact O-N 2.94Å; L165-I168 PolarHBondContact O-N 3.44Å; I168-K170 VanDerWaalsContact C-N 3.27Å; I168-K170 PolarHBondContact O-N 3.22Å; I168-H171 PolarHBondContact O-N 2.84Å; I168-H171 VanDerWaalsContact O-N 3.16Å; I168-N172 WeakPolarHBondContact O-CB 3.43Å; I168-N172 PolarHBondContact O-N 2.77Å
169S74.1Confident74.9Confident60 Ų60106.4 Ų106.442%0.4254%0.538SS..Hα-helixtrans-62.3-35.9178.969.70000112.3L165 A166 N172L165-S169 WeakPolarHBondContact O-CB 3.35Å; L165-S169 PolarHBondContact O-N 3.08Å; L165-S169 PolarHBondContact O-OG 3.43Å; A166-S169 WeakPolarHBondContact CA-OG 3.17Å; A166-S169 PolarHBondContact O-OG 3.08Å; A166-S169 VanDerWaalsContact O-OG 3.09Å; S169-N172 PolarHBondContact O-N 2.91Å
170K69.9Low75.3Confident179 Ų179108.3 Ų108.378%0.77855%0.549SS*.Hα-helixtrans-68.8-33.1175.8-172178.2-178.8-177.10113.3A166 R167 I168A166-K170 WeakPolarHBondContact O-CB 3.11Å; A166-K170 PolarHBondContact O-N 3.45Å; A166-K170 VanDerWaalsContact O-N 3.1Å; R167-K170 PolarHBondContact O-N 2.99Å; I168-K170 VanDerWaalsContact C-N 3.27Å; I168-K170 PolarHBondContact O-N 3.22Å
171H64.8Low75.8Confident126 Ų126107.5 Ų107.558%0.58355%0.547SS*.Hα-helixtrans-87.3-14.9177.4-81.4-103.6000113.2R167 I168 E327R167-H171 PolarHBondContact O-CD2 3.35Å; R167-H171 PolarHBondContact O-N 2.94Å; R167-H171 VanDerWaalsContact O-N 3.08Å; I168-H171 PolarHBondContact O-N 2.84Å; I168-H171 VanDerWaalsContact O-N 3.16Å; H171-E327 IonicContact CE1-OE1 3.02Å; H171-E327 PolarHBondContact CE1-OE1 2.99Å; H171-E327 IonicContact ND1-OE1 3.35Å; H171-E327 IonicContact NE2-OE1 3.95Å
172N64.6Low76.5Confident117 Ų117109.2 Ų109.263%0.62656%0.555SS**SBendtrans-76.6141.8173.4-147.1-7.8000109.5I168 S169 Q174I168-N172 WeakPolarHBondContact O-CB 3.43Å; I168-N172 PolarHBondContact O-N 2.77Å; S169-N172 PolarHBondContact O-N 2.91Å; N172-Q174 PolarHBondContact O-N 3.15Å
173N68.3Low76.7Confident109 Ų109106 Ų10658%0.58354%0.54SS*.  trans-75.243.4-166.6-1639.5000113.8Q175 A176 L177N173-Q175 PolarHBondContact O-N 3.16Å; N173-A176 VanDerWaalsContact CG-CB 3.42Å; N173-A176 WeakPolarHBondContact ND2-CB 3.5Å; N173-A176 PolarHBondContact O-N 2.8Å; N173-A176 WeakPolarHBondContact OD1-CB 3.48Å; N173-A176 PolarHBondContact OD1-N 2.74Å; N173-L177 PolarHBondContact O-N 2.87Å
174Q65.8Low76.9Confident138 Ų138100.6 Ų100.665%0.64553%0.528SS*.Hα-helixtrans-61-33-176.7-170159.24100111.4N172 S178N172-Q174 PolarHBondContact O-N 3.15Å; Q174-S178 WeakPolarHBondContact O-CB 3.19Å; Q174-S178 PolarHBondContact O-N 3.38Å; Q174-S178 PolarHBondContact O-OG 2.87Å
175Q66.5Low77.3Confident168 Ų168103.3 Ų103.379%0.78554%0.54SS*.Hα-helixtrans-70.2-41.9177.7-68.4-177.1-400113.1N173 S178 H179N173-Q175 PolarHBondContact O-N 3.16Å; Q175-S178 WeakPolarHBondContact CA-OG 3.25Å; Q175-S178 PolarHBondContact O-OG 3.11Å; Q175-H179 WeakPolarHBondContact O-CB 3.4Å; Q175-H179 PolarHBondContact O-N 3.37Å
176A72.8Confident77.8Confident44 Ų44102.4 Ų102.436%0.36453%0.531SS..Hα-helixtrans-75-32.3176.600000112.1N173 H179 S180N173-A176 VanDerWaalsContact CG-CB 3.42Å; N173-A176 WeakPolarHBondContact ND2-CB 3.5Å; N173-A176 PolarHBondContact O-N 2.8Å; N173-A176 WeakPolarHBondContact OD1-CB 3.48Å; N173-A176 PolarHBondContact OD1-N 2.74Å; A176-H179 PolarHBondContact O-N 3.34Å; A176-S180 VanDerWaalsContact O-CB 3.3Å; A176-S180 WeakPolarHBondContact O-CB 3.39Å; A176-S180 PolarHBondContact O-N 3.43Å
177L78.1Confident77.9Confident108 Ų108104.7 Ų104.757%0.56554%0.535SS*.Hα-helixtrans-63.8-46.9172.6-178.560.9000110.9N173 H179 S180 I181N173-L177 PolarHBondContact O-N 2.87Å; L177-H179 VanDerWaalsContact C-N 3.32Å; L177-H179 PolarHBondContact O-N 2.93Å; L177-S180 PolarHBondContact O-N 2.85Å; L177-I181 HydrophobicContact CD1-CD1 3.93Å; L177-I181 HydrophobicContact CD1-CG1 4.25Å; L177-I181 HydrophobicContact CG-CD1 3.86Å; L177-I181 VanDerWaalsContact O-CG1 3.28Å; L177-I181 WeakPolarHBondContact O-CG1 3.48Å; L177-I181 PolarHBondContact O-N 3.01Å
178S78.3Confident78.3Confident67 Ų67103.6 Ų103.647%0.46954%0.536SS..Hα-helixtrans-61.2-40.9176.657.20000112.3Q174 Q175 I181 E182Q174-S178 WeakPolarHBondContact O-CB 3.19Å; Q174-S178 PolarHBondContact O-N 3.38Å; Q174-S178 PolarHBondContact O-OG 2.87Å; Q175-S178 WeakPolarHBondContact CA-OG 3.25Å; Q175-S178 PolarHBondContact O-OG 3.11Å; S178-I181 PolarHBondContact O-N 2.67Å; S178-E182 WeakPolarHBondContact O-CB 3.46Å; S178-E182 PolarHBondContact O-N 3.36Å
179H80.2Confident78.7Confident118 Ų118101.1 Ų101.155%0.54653%0.531SS..Hα-helixtrans-67.6-38.8178.1-172.5-83000112.2Q175 A176 L177 E183Q175-H179 WeakPolarHBondContact O-CB 3.4Å; Q175-H179 PolarHBondContact O-N 3.37Å; A176-H179 PolarHBondContact O-N 3.34Å; L177-H179 VanDerWaalsContact C-N 3.32Å; L177-H179 PolarHBondContact O-N 2.93Å; H179-E183 WeakPolarHBondContact O-CB 3.09Å; H179-E183 PolarHBondContact O-N 2.86Å
180S84.7Confident79.1Confident76 Ų76102.8 Ų102.853%0.53153%0.533SS..Hα-helixtrans-65.1-43.3175.8-174.30000112A176 L177 G184A176-S180 VanDerWaalsContact O-CB 3.3Å; A176-S180 WeakPolarHBondContact O-CB 3.39Å; A176-S180 PolarHBondContact O-N 3.43Å; L177-S180 PolarHBondContact O-N 2.85Å; S180-G184 PolarHBondContact O-N 2.82Å
181I86.5Confident79.4Confident96 Ų9697.5 Ų97.549%0.49252%0.516SS..Hα-helixtrans-64.6-44.2177.3-67.8167.9000110.9L177 S178 G184 L185L177-I181 HydrophobicContact CD1-CD1 3.93Å; L177-I181 HydrophobicContact CD1-CG1 4.25Å; L177-I181 HydrophobicContact CG-CD1 3.86Å; L177-I181 VanDerWaalsContact O-CG1 3.28Å; L177-I181 WeakPolarHBondContact O-CG1 3.48Å; L177-I181 PolarHBondContact O-N 3.01Å; S178-I181 PolarHBondContact O-N 2.67Å; I181-G184 PolarHBondContact O-N 3.2Å; I181-L185 HydrophobicContact CG2-CD1 4.01Å; I181-L185 PolarHBondContact O-N 3.46Å
182E89.1Confident80.2Confident135 Ų135100.8 Ų100.863%0.63152%0.523SS*.Hα-helixtrans-64-45.6178.9-176.6166.5-132.100112.1S178 G184 L185 K186S178-E182 WeakPolarHBondContact O-CB 3.46Å; S178-E182 PolarHBondContact O-N 3.36Å; E182-G184 VanDerWaalsContact C-N 3.34Å; E182-G184 PolarHBondContact O-N 3.4Å; E182-L185 PolarHBondContact O-N 3.29Å; E182-K186 WeakPolarHBondContact O-CB 3.47Å; E182-K186 PolarHBondContact O-N 3.14Å
183E84.9Confident80.4Confident74 Ų74101.7 Ų101.735%0.34653%0.527SS..Hα-helixtrans-63.2-39.6174.7-82.2-69.9133.100111.7H179 K186 I187H179-E183 WeakPolarHBondContact O-CB 3.09Å; H179-E183 PolarHBondContact O-N 2.86Å; E183-K186 WeakPolarHBondContact O-CB 3.3Å; E183-K186 PolarHBondContact O-N 3.22Å; E183-K186 IonicContact OE1-NZ 3.54Å; E183-I187 VanDerWaalsContact O-CG1 3.26Å; E183-I187 WeakPolarHBondContact O-CG1 3.4Å; E183-I187 PolarHBondContact O-N 2.89Å
184G88.8Confident80.2Confident26 Ų26103.1 Ų103.127%0.26853%0.53SS..Hα-helixtrans-59.9-46.6174.100000113S180 I181 E182 K186 I187 Q188S180-G184 PolarHBondContact O-N 2.82Å; I181-G184 PolarHBondContact O-N 3.2Å; E182-G184 VanDerWaalsContact C-N 3.34Å; E182-G184 PolarHBondContact O-N 3.4Å; G184-K186 VanDerWaalsContact C-N 3.31Å; G184-K186 PolarHBondContact O-N 2.95Å; G184-I187 PolarHBondContact O-N 3.46Å; G184-Q188 VanDerWaalsContact O-CG 3.27Å; G184-Q188 WeakPolarHBondContact O-CG 3.31Å; G184-Q188 PolarHBondContact O-N 3.1Å
185L90.5Very high79.9Confident111 Ų111106.3 Ų106.358%0.58154%0.537SS*.Hα-helixtrans-59.4-42.1174.4-92.7152.8000111.8I181 E182 Q188 A189I181-L185 HydrophobicContact CG2-CD1 4.01Å; I181-L185 PolarHBondContact O-N 3.46Å; E182-L185 PolarHBondContact O-N 3.29Å; L185-Q188 PolarHBondContact O-N 2.93Å; L185-A189 WeakPolarHBondContact O-CB 3.27Å; L185-A189 PolarHBondContact O-N 2.8Å
186K90.1Very high79.4Confident107 Ų107101.2 Ų101.247%0.46553%0.529SS..Hα-helixtrans-65.9-44.6179.5-159.1-172.8-177.8174.60111.7E182 E183 G184 Q188 A189 M190E182-K186 WeakPolarHBondContact O-CB 3.47Å; E182-K186 PolarHBondContact O-N 3.14Å; E183-K186 WeakPolarHBondContact O-CB 3.3Å; E183-K186 PolarHBondContact O-N 3.22Å; E183-K186 IonicContact OE1-NZ 3.54Å; G184-K186 VanDerWaalsContact C-N 3.31Å; G184-K186 PolarHBondContact O-N 2.95Å; K186-Q188 VanDerWaalsContact C-N 3.35Å; K186-Q188 PolarHBondContact O-N 3.21Å; K186-A189 PolarHBondContact O-N 2.86Å; K186-M190 HydrophobicContact CD-CE 3.87Å; K186-M190 HydrophobicContact CG-CE 3.63Å; K186-M190 VanDerWaalsContact O-CG 3.32Å; K186-M190 WeakPolarHBondContact O-CG 3.48Å; K186-M190 PolarHBondContact O-N 3.37Å
187I83.5Confident78.5Confident98 Ų98107.5 Ų107.550%0.50355%0.548SS..Hα-helixtrans-63.1-41.9176.9-68.4165000110.8E183 G184 A189 M190 T191E183-I187 VanDerWaalsContact O-CG1 3.26Å; E183-I187 WeakPolarHBondContact O-CG1 3.4Å; E183-I187 PolarHBondContact O-N 2.89Å; G184-I187 PolarHBondContact O-N 3.46Å; I187-A189 PolarHBondContact O-N 2.9Å; I187-M190 PolarHBondContact O-N 3.38Å; I187-T191 WeakPolarHBondContact O-CB 3.15Å; I187-T191 PolarHBondContact O-N 2.94Å; I187-T191 PolarHBondContact O-OG1 3.49Å
188Q86.1Confident77.2Confident116 Ų116113.1 Ų113.154%0.54256%0.561SS.*Hα-helixtrans-62.9-41.1175.5-70.7176.72900111.8G184 L185 K186 T191 R192G184-Q188 VanDerWaalsContact O-CG 3.27Å; G184-Q188 WeakPolarHBondContact O-CG 3.31Å; G184-Q188 PolarHBondContact O-N 3.1Å; L185-Q188 PolarHBondContact O-N 2.93Å; K186-Q188 VanDerWaalsContact C-N 3.35Å; K186-Q188 PolarHBondContact O-N 3.21Å; Q188-T191 PolarHBondContact O-N 2.74Å; Q188-R192 WeakPolarHBondContact O-CG 3.07Å; Q188-R192 PolarHBondContact O-N 3.36Å; Q188-R192 VanDerWaalsContact O-N 3.08Å
189A86.1Confident75.8Confident51 Ų51118.5 Ų118.542%0.42158%0.579SS.*Hα-helixtrans-63.9-43.6175.500000112.3L185 K186 I187 T191 R192 L193L185-A189 WeakPolarHBondContact O-CB 3.27Å; L185-A189 PolarHBondContact O-N 2.8Å; K186-A189 PolarHBondContact O-N 2.86Å; I187-A189 PolarHBondContact O-N 2.9Å; A189-T191 VanDerWaalsContact C-N 3.34Å; A189-T191 PolarHBondContact O-N 2.71Å; A189-R192 PolarHBondContact O-N 2.79Å; A189-L193 WeakPolarHBondContact O-CG 3.29Å; A189-L193 PolarHBondContact O-N 3.03Å
190M81.2Confident74.2Confident94 Ų94118.4 Ų118.446%0.46359%0.587SS.*Hα-helixtrans-63.3-39.5176.1-66.6-168.3-150.500112.2K186 I187 R192 L193 Q194K186-M190 HydrophobicContact CD-CE 3.87Å; K186-M190 HydrophobicContact CG-CE 3.63Å; K186-M190 VanDerWaalsContact O-CG 3.32Å; K186-M190 WeakPolarHBondContact O-CG 3.48Å; K186-M190 PolarHBondContact O-N 3.37Å; I187-M190 PolarHBondContact O-N 3.38Å; M190-R192 VanDerWaalsContact C-N 3.34Å; M190-R192 PolarHBondContact O-N 2.87Å; M190-L193 PolarHBondContact O-N 3.02Å; M190-Q194 WeakPolarHBondContact O-CG 3.2Å; M190-Q194 PolarHBondContact O-N 3.06Å; M190-Q194 VanDerWaalsContact O-N 3.08Å
191T77.1Confident72.5Confident69 Ų69121 Ų12142%0.42360%0.599SS.*Hα-helixtrans-67.2-35.2179-52.50000111.9I187 Q188 A189 Q194 R195I187-T191 WeakPolarHBondContact O-CB 3.15Å; I187-T191 PolarHBondContact O-N 2.94Å; I187-T191 PolarHBondContact O-OG1 3.49Å; Q188-T191 PolarHBondContact O-N 2.74Å; A189-T191 VanDerWaalsContact C-N 3.34Å; A189-T191 PolarHBondContact O-N 2.71Å; T191-Q194 PolarHBondContact O-N 2.99Å; T191-R195 PolarHBondContact O-N 3.44Å; T191-R195 VanDerWaalsContact O-N 3.15Å
192R80.1Confident70.4Confident195 Ų195125.3 Ų125.374%0.73662%0.617SS**Hα-helixtrans-63.6-42.2172.9-73.5176.7-176.6-1532.1111.9Q188 A189 M190 R195 G196Q188-R192 WeakPolarHBondContact O-CG 3.07Å; Q188-R192 PolarHBondContact O-N 3.36Å; Q188-R192 VanDerWaalsContact O-N 3.08Å; A189-R192 PolarHBondContact O-N 2.79Å; M190-R192 VanDerWaalsContact C-N 3.34Å; M190-R192 PolarHBondContact O-N 2.87Å; R192-R195 PolarHBondContact O-N 3.45Å; R192-G196 PolarHBondContact O-N 3.47Å
193L70.8Confident67.9Low136 Ų136127.2 Ų127.271%0.71263%0.632SS**Hα-helixtrans-67.3-35.3178.3-69.4167.8000112.7A189 M190A189-L193 WeakPolarHBondContact O-CG 3.29Å; A189-L193 PolarHBondContact O-N 3.03Å; M190-L193 PolarHBondContact O-N 3.02Å
194Q64Low65.5Low139 Ų139127 Ų12765%0.6565%0.649SS**Hα-helixtrans-73-33.4177.5-71.2-179.73.900113M190 T191 G196 K197M190-Q194 WeakPolarHBondContact O-CG 3.2Å; M190-Q194 PolarHBondContact O-N 3.06Å; M190-Q194 VanDerWaalsContact O-N 3.08Å; T191-Q194 PolarHBondContact O-N 2.99Å; Q194-G196 VanDerWaalsContact C-N 3.34Å; Q194-K197 PolarHBondContact O-N 3.09Å
195R58.3Low63.1Low205 Ų205131.8 Ų131.877%0.77468%0.679SS**Hα-helixtrans-66.6-33.3174.4-105.8177.1151.1151.6-6.5112.9T191 R192 K197T191-R195 PolarHBondContact O-N 3.44Å; T191-R195 VanDerWaalsContact O-N 3.15Å; R192-R195 PolarHBondContact O-N 3.45Å; R195-K197 PolarHBondContact O-N 2.78Å
196G56.5Low60.4Low60 Ų60130 Ų13062%0.61969%0.687SS**THydrogen-bonded Turntrans-67.4-17.417500000114.7R192 Q194R192-G196 PolarHBondContact O-N 3.47Å; Q194-G196 VanDerWaalsContact C-N 3.34Å
197K54Low58Low176 Ų176129.2 Ų129.277%0.76570%0.7SS**THydrogen-bonded Turntrans-99.4-3.9-176-155.1156.3-177.1173.50114.4Q194 R195Q194-K197 PolarHBondContact O-N 3.09Å; R195-K197 PolarHBondContact O-N 2.78Å
198R49.4Very low56Low226 Ų226133.3 Ų133.385%0.85372%0.717SS**SBendtrans-89.2-5.1174.7-76.9-171.7178.7172.60.9114.1
199H49.1Very low53.7Low180 Ų180134.1 Ų134.183%0.83373%0.726SS**THydrogen-bonded Turntrans-94.113.2-176.8-131.5-70.5000114.7
200T47.3Very low51.5Low117 Ų117139.2 Ų139.272%0.71875%0.746SS**THydrogen-bonded Turntrans-11511.9-176.6-18.30000114.5
201V48Very low49.6Very low130 Ų130138.1 Ų138.179%0.78876%0.758SS**SBendtrans-138.379.9174-170.30000108.8
202E43.3Very low47.4Very low186 Ų186142.2 Ų142.287%0.86978%0.778SS**  trans164.590.9143.5-91.2-169.8162.500107.1
203N35.9Very low45.8Very low175 Ų175138.4 Ų138.494%0.93678%0.781SS**  trans-136.392163.7-137.836.6000107.9
204G35.6Very low44.6Very low69 Ų69137 Ų13771%0.71178%0.783SS**  trans-112.7101.7163.800000109.1
205S37.8Very low43.4Very low128 Ų128138.9 Ų138.990%0.89579%0.791SS**  trans72.8121.4143.2-48.40000121
206G33.3Very low42.2Very low72 Ų72134.5 Ų134.574%0.74279%0.79SS**  trans116.194160.700000112.4
207A41.3Very low41.3Very low91 Ų91136.4 Ų136.475%0.75279%0.794SS**  52.8119.67000000109.9
208E40.3Very low40.3Very low184 Ų184135.6 Ų135.686%0.8680%0.798SS**  cis-159.9153.423.2-58.9179.9159.900110.2
209D38.2Very low39.3Very low134 Ų134129.1 Ų129.172%0.71779%0.793SS**  trans33.3118.2140.9-158.627.4000121.3
210N40.2Very low38.6Very low158 Ų158125.2 Ų125.285%0.84579%0.786SS**  -169.3115.7119.5-93-50.4000108.9
211G41.9Very low37.9Very low70 Ų70125.1 Ų125.172%0.72279%0.785SS**  trans-72.3148.8175.500000112.7
212D29.4Very low37.2Very low156 Ų156126.9 Ų126.983%0.83478%0.784SS**  trans-155.7137.3135.9-160.94000110.4
213S46.4Very low36.8Very low114 Ų114122.7 Ų122.780%0.79778%0.775SS**  trans-93.4119.4174.6-61.30000108.4
214S45.9Very low36.6Very low108 Ų108121.1 Ų121.176%0.75577%0.767SS**  trans-157.5109.5152.964.60000113.1
215H39.1Very low36.4Very low178 Ų178126.3 Ų126.382%0.82477%0.773SS**  trans-50.3129150.1166.8-74.5000111.7
216C32.7Very low36.1Very low113 Ų113128.8 Ų128.876%0.76477%0.77SS**  -176.9144123.450.60000112.6
217S37.1Very low36Very low100 Ų100129.8 Ų129.870%0.69977%0.771SS**  trans-76.7159.4174.9-49.60000112.9
218N33.4Very low35.3Very low159 Ų159128.9 Ų128.985%0.8577%0.771SS**  trans86.9131137.4-98.513.9000121.2
219A29.8Very low35.2Very low89 Ų89126.1 Ų126.174%0.73677%0.769SS**  trans79.2136.8146.800000115.8
220S32.7Very low34.8Very low99 Ų99124.7 Ų124.769%0.69277%0.77SS**  cis177.1144.5-1.244.20000107.4
221V34.6Very low34.6Very low115 Ų115125.5 Ų125.570%0.69777%0.772SS**  trans55.8119.8153.1-1140000122.2
222H33.1Very low34.3Very low167 Ų167130.9 Ų130.977%0.77378%0.776SS**  162.4130.9101.4-94.6-64.5000115.2
223S34.6Very low34.3Very low97 Ų97134.4 Ų134.468%0.67878%0.777SS**  trans64.3115.6142.9-66.50000126.1
224N30.8Very low33.4Very low142 Ų142134.8 Ų134.876%0.75978%0.775SS**  79.5132.9126.3-76-4.6000126.3
225Q32.5Very low32.8Very low178 Ų178139.1 Ų139.183%0.83278%0.78SS**  trans72.7130.6159.3-70.1165.65.400115.3
226E30.8Very low32.4Very low181 Ų181136.8 Ų136.885%0.84678%0.778SS**  cis-172.9160.448.7-150.3-179.4130.300112
227A31.8Very low32.5Very low93 Ų93135.7 Ų135.777%0.76977%0.772SS**  trans65.3129.2156.900000123.2
228G26.6Very low32.2Very low72 Ų72138.7 Ų138.774%0.74278%0.78SS**  trans-75.2-162.5171.200000114.8
229P36.8Very low32.3Very low125 Ų125138.7 Ų138.781%0.81278%0.78SS**  cis-140.9152.833.338.1-17.5000118.8
230S30.9Very low32.7Very low105 Ų105139.9 Ų139.973%0.73478%0.783SS**  trans30.4113.1135.7-163.80000121.6
231I34.8Very low32.6Very low174 Ų174138.2 Ų138.289%0.89278%0.781SS**  trans-144128.5138.5-57.8-173.5000110.7
232K35.5Very low32.6Very low184 Ų184139.6 Ų139.680%0.878%0.784SS**  trans-67.6143.3177.9-63.3168.5174.9176.60113.2
233R29.8Very low32.7Very low230 Ų230139.5 Ų139.587%0.86879%0.79SS**  166.6139.8118.7-96.9-177.3179.3173.41.2116
234T28Very low33.4Very low122 Ų122141 Ų14175%0.74879%0.787SS**  trans66.698.9140.453.20000122.6
235K33.2Very low33.9Very low199 Ų199140.5 Ų140.587%0.86579%0.785SS**  25.4122120.1-152.5176.1-172.5-179.40119.3
236T30Very low34.2Very low128 Ų128138.6 Ų138.679%0.78578%0.78SS**  trans175.897.4133.330.60000106
237S35.3Very low34.5Very low90 Ų90134.2 Ų134.263%0.62978%0.775SS**  38.8104101.161.50000114.5
238D31.8Very low34.7Very low163 Ų163134.5 Ų134.587%0.87278%0.777SS**  168.695.6120.3-76.4-20.5000110.1
239D34.3Very low35.1Very low160 Ų160139.1 Ų139.186%0.85678%0.779SS**  trans-151.4115.1161-17235.1000109.2
240S38Very low34.9Very low113 Ų113140.4 Ų140.479%0.7978%0.779SS**  trans-146.376.5166.540.30000108.6
241G30.5Very low34.8Very low64 Ų64139.3 Ų139.366%0.6679%0.785SS**  trans-71.5122.6151.500000109
242L36.2Very low34.5Very low144 Ų144135 Ų13575%0.75478%0.783SS**  trans-105.1104.2171-68.4174.9000108.2M244L242-M244 HydrophobicContact CB-CE 4.04Å; L242-M244 HydrophobicContact CD1-CE 4.36Å
243D34.8Very low34.5Very low166 Ų166130.2 Ų130.289%0.88879%0.786SS**  trans-86.8120.3156.6-74.8-59.5000108.4
244M47.8Very low34.3Very low128 Ų128126.3 Ų126.363%0.63178%0.782SS**  trans-115.1130.5160.7-115.370.266.200103.8L242L242-M244 HydrophobicContact CB-CE 4.04Å; L242-M244 HydrophobicContact CD1-CE 4.36Å
245D42.7Very low35Very low132 Ų132125.8 Ų125.871%0.70678%0.783SS**  -171.3153.356-98-41.1000114.3
246N37.9Very low35Very low138 Ų138122.2 Ų122.274%0.73878%0.778SS**  trans68.7102.6136.9-77.3-47000124.1
247A36.9Very low35.4Very low89 Ų89124 Ų12474%0.73678%0.781SS**  77125107.300000122.5
248A36.2Very low35.4Very low98 Ų98126.5 Ų126.581%0.8179%0.787SS**  trans71.1137.7150.700000117.8
249E35.7Very low35.7Very low170 Ų170122.3 Ų122.379%0.79478%0.783SS**  cis-166.4157.418.6-132.5-180-172.200109.9
250N32.3Very low36Very low152 Ų152117.3 Ų117.381%0.81377%0.769SS**  trans71.2110.8157.1-74.3-32.1000122.9
251G29.8Very low36.8Very low82 Ų82115.4 Ų115.485%0.84576%0.76SS**  114113.4122.700000117.7
252G27.9Very low39Very low82 Ų82115 Ų11585%0.84575%0.748SS**  trans105.7109.6158.300000113.6
253G35.1Very low41.4Very low84 Ų84113.8 Ų113.887%0.86674%0.738SS**  trans-65.9148.9-174.100000114.5
254D26.8Very low44.1Very low148 Ų148106.8 Ų106.879%0.79170%0.7SS**  trans-155.8147.6134.6-160.611.1000109.3
255S41.8Very low46.2Very low111 Ų111105.6 Ų105.678%0.77669%0.693SS**  trans-83.7114.7-167.1-44.50000109.8
256V33.6Very low48.7Very low124 Ų12499.4 Ų99.475%0.75266%0.66SS**  trans-133.592.6175.6-163.80000111.2
257I38.5Very low51.3Low166 Ų16693.5 Ų93.585%0.85163%0.629SS**  trans30.790.8146.8-31.6179.6000116.3G259I257-G259 PolarHBondContact O-N 2.94Å
258D34.4Very low53.9Low142 Ų14289.3 Ų89.376%0.75959%0.594SS**  trans-69.3114.5172.7179.436.6000111.8G260D258-G260 VanDerWaalsContact C-N 3.33Å; D258-G260 PolarHBondContact O-N 3.02Å
259G37.6Very low56.5Low76 Ų7688.5 Ų88.578%0.78457%0.57SS**  trans-84.381.3160.900000108.4I257 A261I257-G259 PolarHBondContact O-N 2.94Å; G259-A261 PolarHBondContact O-N 2.86Å
260G42.6Very low59Low54 Ų5482 Ų8256%0.55754%0.542SS*.  trans-51.9103.9-165.900000115.1D258D258-G260 VanDerWaalsContact C-N 3.33Å; D258-G260 PolarHBondContact O-N 3.02Å
261A53.5Low61.5Low74 Ų7475.2 Ų75.261%0.61251%0.506SS*.  trans-88.4104.7150.700000106.6G259 E263G259-A261 PolarHBondContact O-N 2.86Å; A261-E263 PolarHBondContact O-N 2.94Å
262S76.7Confident64Low56 Ų5675.2 Ų75.239%0.39249%0.491SS..  trans-54106175.9-56.70000109.3G295 E355S262-G295 WeakPolarHBondContact O-CA 3.46Å; S262-G295 PolarHBondContact O-N 3.04Å; S262-E355 WeakPolarHBondContact CB-OE1 3.4Å; S262-E355 PolarHBondContact OG-OE1 2.93Å
263E87.8Confident66.5Low118 Ų11876.6 Ų76.655%0.55148%0.483SS*.EExtended strand (participates in β ladder)trans-82.4132177-165.7176.9-169.400109.3A261 K292A261-E263 PolarHBondContact O-N 2.94Å; E263-K292 HydrophobicContact CG-CD 4.25Å; E263-K292 HydrophobicContact CG-CG 3.8Å; E263-K292 WeakPolarHBondContact OE1-CD 3.21Å; E263-K292 WeakPolarHBondContact OE1-CE 3.37Å; E263-K292 WeakPolarHBondContact OE1-CG 3.31Å; E263-K292 IonicContact OE1-NZ 3.97Å; E263-K292 PolarHBondContact OE1-NZ 3.36Å; E263-K292 VanDerWaalsContact OE2-CE 3.23Å; E263-K292 WeakPolarHBondContact OE2-CE 3.34Å; E263-K292 IonicContact OE2-NZ 3.88Å; E263-K292 PolarHBondContact OE2-NZ 3.32Å
264I89.8Confident68.6Low18 Ų1875.5 Ų75.59%0.09246%0.457CS..EExtended strand (participates in β ladder)trans-116.2126.2-176.8-61.5-171.7000109.8K292 T293 G295 L354 E355 M368I264-K292 WeakPolarHBondContact O-CA 3.24Å; I264-T293 PolarHBondContact N-O 2.91Å; I264-T293 PolarHBondContact O-N 3.21Å; I264-G295 VanDerWaalsContact CD1-CA 3.49Å; I264-L354 HydrophobicContact CD1-CB 3.77Å; I264-L354 WeakPolarHBondContact CD1-O 3.32Å; I264-E355 HydrophobicContact CD1-CB 4.34Å; I264-M368 HydrophobicContact CG2-CE 4.5Å
265E93.5Very high70.8Confident103 Ų10371 Ų7148%0.48143%0.432SS..EExtended strand (participates in β ladder)trans-94.5133.3169.8-67.7179-177.200110K292 P367 M368E265-K292 HydrophobicContact CG-CD 4.12Å; E265-K292 HydrophobicContact CG-CG 3.87Å; E265-K292 VanDerWaalsContact OE1-CE 3.28Å; E265-K292 WeakPolarHBondContact OE1-CE 3.42Å; E265-P367 HydrophobicContact CB-CB 4.15Å; E265-P367 HydrophobicContact CB-CG 4.32Å; E265-P367 CarbonylContact O-C 3.59Å; E265-P367 VanDerWaalsContact O-CA 3.27Å; E265-P367 WeakPolarHBondContact O-CA 3.49Å; E265-M368 PolarHBondContact O-N 2.82Å
266L94.1Very high71.7Confident3 Ų373.7 Ų73.72%0.01643%0.432CS..EExtended strand (participates in β ladder)trans-141.1149.9179.166.889000112.7F268 I291 T293 L302 L354 M368 L370L266-F268 HydrophobicContact CD1-CB 4.02Å; L266-F268 HydrophobicContact CD1-CG 4.28Å; L266-I291 HydrophobicContact CD1-CB 3.74Å; L266-I291 HydrophobicContact CD1-CD1 3.97Å; L266-I291 HydrophobicContact CD1-CG1 4.25Å; L266-I291 HydrophobicContact CD1-CG2 4.42Å; L266-I291 HydrophobicContact CG-CB 4.01Å; L266-I291 HydrophobicContact CG-CG2 4.46Å; L266-I291 PolarHBondContact N-O 3.03Å; L266-I291 PolarHBondContact O-N 3.09Å; L266-T293 HydrophobicContact CD2-CG2 4.28Å; L266-L302 HydrophobicContact CD2-CD1 3.98Å; L266-L302 HydrophobicContact CD2-CD2 4.15Å; L266-L354 HydrophobicContact CD2-CD1 3.9Å; L266-M368 CarbonylContact C-O 3.55Å; L266-M368 WeakPolarHBondContact CA-O 3.48Å; L266-M368 HydrophobicContact CB-CB 4.2Å; L266-M368 VanDerWaalsContact CB-O 3.26Å; L266-M368 WeakPolarHBondContact CB-O 3.26Å; L266-L370 HydrophobicContact CD2-CD1 4.26Å
267V92.9Very high72.5Confident13 Ų1376.6 Ų76.68%0.07944%0.435CS..EExtended strand (participates in β ladder)trans-108.6115.8173.9-175.50000107.5R269 P288 Y290 P367 M368 E369 L370V267-R269 HydrophobicContact CG1-CG 4.21Å; V267-P288 HydrophobicContact CG1-CB 4.13Å; V267-Y290 HydrophobicContact CG1-CE1 4.27Å; V267-Y290 HydrophobicContact CG2-CD1 3.92Å; V267-Y290 HydrophobicContact CG2-CE1 3.9Å; V267-P367 HydrophobicContact CG2-CB 4.21Å; V267-M368 PolarHBondContact N-O 2.94Å; V267-E369 HydrophobicContact CB-CG 4.41Å; V267-E369 WeakPolarHBondContact O-CA 3.17Å; V267-L370 PolarHBondContact O-N 3.43Å
268F92.2Very high72.7Confident1 Ų175.6 Ų75.60%0.00443%0.431CS..EExtended strand (participates in β ladder)trans-103119-176.1-142.3-178000110.6L266 R289 I291 L302 L306 I336 L370 F372L266-F268 HydrophobicContact CD1-CB 4.02Å; L266-F268 HydrophobicContact CD1-CG 4.28Å; F268-R289 HydrophobicContact CB-CB 4.22Å; F268-R289 PolarHBondContact N-O 3.32Å; F268-R289 PolarHBondContact O-N 2.97Å; F268-I291 HydrophobicContact CB-CD1 4.04Å; F268-I291 HydrophobicContact CD1-CD1 3.69Å; F268-I291 HydrophobicContact CG-CD1 4.33Å; F268-L302 HydrophobicContact CE1-CB 4.14Å; F268-L302 HydrophobicContact CZ-CB 4.12Å; F268-L302 HydrophobicContact CZ-CD1 4.47Å; F268-L306 HydrophobicContact CE1-CB 4.3Å; F268-L306 HydrophobicContact CE1-CD2 4.4Å; F268-L306 HydrophobicContact CZ-CD2 4.47Å; F268-I336 HydrophobicContact CE2-CD1 4.01Å; F268-I336 HydrophobicContact CE2-CG2 3.9Å; F268-I336 HydrophobicContact CZ-CD1 3.5Å; F268-I336 VanDerWaalsContact CZ-CD1 3.5Å; F268-I336 HydrophobicContact CZ-CG1 4.2Å; F268-I336 HydrophobicContact CZ-CG2 4.15Å; F268-L370 WeakPolarHBondContact CA-O 3.27Å; F268-L370 HydrophobicContact CD2-CB 3.63Å; F268-L370 WeakPolarHBondContact CD2-O 3.23Å; F268-L370 HydrophobicContact CE2-CB 3.7Å; F268-F372 AromaticContact CD2-CD1 3.95Å; F268-F372 HydrophobicContact CD2-CD1 3.95Å; F268-F372 HydrophobicContact CE2-CB 4.07Å; F268-F372 HydrophobicContact CE2-CD1 4.12Å; F268-F372 HydrophobicContact CG-CD1 4.21Å; F268-F372 HydrophobicContact CZ-CB 4.32Å
269R89.7Confident73Confident82 Ų8276.5 Ų76.531%0.30944%0.436SS..EExtended strand (participates in β ladder)trans-122152.5-173.4-71.5-176.5174.2156.72.9112.8V267 P288 E369 L370 Y371 F372V267-R269 HydrophobicContact CG1-CG 4.21Å; R269-P288 HydrophobicContact CG-CB 4.18Å; R269-E369 IonicContact CZ-OE1 2.67Å; R269-E369 IonicContact NH1-OE1 3.37Å; R269-E369 PolarHBondContact NH1-OE1 3.04Å; R269-E369 IonicContact NH1-OE2 3.81Å; R269-E369 PolarHBondContact NH1-OE2 2.83Å; R269-E369 VanDerWaalsContact NH1-OE2 3.09Å; R269-E369 IonicContact NH2-OE1 3.34Å; R269-L370 PolarHBondContact N-O 3.3Å; R269-Y371 HydrophobicContact CB-CD1 3.78Å; R269-Y371 HydrophobicContact CB-CE1 3.73Å; R269-Y371 HydrophobicContact CB-CG 4.45Å; R269-Y371 HydrophobicContact CG-CE1 4.49Å; R269-Y371 PolarHBondContact NH1-OH 3.3Å; R269-Y371 CarbonylContact O-C 3.55Å; R269-Y371 WeakPolarHBondContact O-CA 3.41Å; R269-F372 WeakPolarHBondContact O-CD1 3.48Å; R269-F372 WeakPolarHBondContact O-CE1 3.39Å; R269-F372 PolarHBondContact O-N 2.81Å
270P87.6Confident73.1Confident33 Ų3374.7 Ų74.721%0.21442%0.418CS..EExtended strand (participates in β ladder)trans-62.5142166.828.3-36.6000111.3M275 F286 Y371 F372P270-M275 HydrophobicContact CB-CG 4.1Å; P270-M275 HydrophobicContact CB-SD 3.05Å; P270-M275 WeakPolarHBondContact CB-SD 3.33Å; P270-M275 HydrophobicContact CG-SD 4.46Å; P270-F286 HydrophobicContact CG-CB 4.01Å; P270-F286 HydrophobicContact CG-CG 4.44Å; P270-Y371 WeakPolarHBondContact O-CD1 3.31Å; P270-F372 HydrophobicContact CB-CZ 4.45Å
271H86.1Confident72.9Confident9 Ų981.8 Ų81.84%0.04244%0.436CS..  trans-65.8126174.5-168.8-74.4000110.5T273 L274 M275 Y337 F345 F372 A373H271-T273 VanDerWaalsContact C-N 3.25Å; H271-T273 PolarHBondContact CE1-OG1 2.92Å; H271-T273 PolarHBondContact ND1-N 2.88Å; H271-T273 PolarHBondContact ND1-OG1 2.74Å; H271-T273 PolarHBondContact O-N 3.01Å; H271-T273 VanDerWaalsContact O-N 3.09Å; H271-L274 HydrophobicContact CB-CB 4.06Å; H271-L274 WeakPolarHBondContact ND1-CG 3.36Å; H271-L274 PolarHBondContact ND1-N 2.81Å; H271-L274 PolarHBondContact O-N 3.04Å; H271-M275 PolarHBondContact O-N 3.11Å; H271-Y337 AromaticContact CD2-CD2 3.83Å; H271-Y337 AromaticContact CD2-CG 3.84Å; H271-F345 AromaticContact CE1-CD2 3.91Å; H271-F345 AromaticContact NE2-CD1 3.91Å; H271-F345 AromaticContact NE2-CD2 3.49Å; H271-F345 WeakPolarHBondContact NE2-CD2 3.37Å; H271-F345 AromaticContact NE2-CG 3.34Å; H271-F345 VanDerWaalsContact NE2-CG 3.34Å; H271-F345 WeakPolarHBondContact NE2-CG 3.39Å; H271-F372 WeakPolarHBondContact CB-O 3.41Å; H271-F372 PolarHBondContact N-O 3.3Å; H271-A373 HydrophobicContact CB-CB 3.95Å
272P82.4Confident72Confident82 Ų8283.6 Ų83.653%0.53244%0.435SS..THydrogen-bonded Turntrans-64.5-24-166.423.6-35000115F345P272-F345 HydrophobicContact CG-CE2 3.83Å; P272-F345 HydrophobicContact CG-CZ 3.62Å
273T79.4Confident70.2Confident111 Ų11186.7 Ų86.768%0.68146%0.457SS*.THydrogen-bonded Turntrans-119.6-11.9-176.757.60000114.9H271H271-T273 VanDerWaalsContact C-N 3.25Å; H271-T273 PolarHBondContact CE1-OG1 2.92Å; H271-T273 PolarHBondContact ND1-N 2.88Å; H271-T273 PolarHBondContact ND1-OG1 2.74Å; H271-T273 PolarHBondContact O-N 3.01Å; H271-T273 VanDerWaalsContact O-N 3.09Å
274L79.1Confident68.1Low62 Ų6284.4 Ų84.433%0.32545%0.451SS..THydrogen-bonded Turntrans-104.7-6.9-174.6-67.4177.4000112.6H271 Y337 A373H271-L274 HydrophobicContact CB-CB 4.06Å; H271-L274 WeakPolarHBondContact ND1-CG 3.36Å; H271-L274 PolarHBondContact ND1-N 2.81Å; H271-L274 PolarHBondContact O-N 3.04Å; L274-Y337 HydrophobicContact CD1-CE1 4.26Å; L274-Y337 HydrophobicContact CD1-CE2 4.33Å; L274-A373 HydrophobicContact CB-CB 3.72Å; L274-A373 HydrophobicContact CD1-CB 4.22Å
275M73.7Confident66.1Low52 Ų5291.7 Ų91.726%0.25649%0.485SS..SBendtrans-85.1120.1166-64.9-150.162.100108.3P270 H271 K277 F286 F372P270-M275 HydrophobicContact CB-CG 4.1Å; P270-M275 HydrophobicContact CB-SD 3.05Å; P270-M275 WeakPolarHBondContact CB-SD 3.33Å; P270-M275 HydrophobicContact CG-SD 4.46Å; H271-M275 PolarHBondContact O-N 3.11Å; M275-K277 PolarHBondContact O-N 3.15Å; M275-F286 HydrophobicContact CE-CE1 4.21Å; M275-F286 HydrophobicContact CE-CZ 4.35Å; M275-F372 HydrophobicContact SD-CE2 4.17Å
276E60.1Low64.7Low169 Ų16993 Ų9379%0.7949%0.489SS*.  trans-59.5125.1173.9-65-173.6159.800108.1D278E276-D278 PolarHBondContact O-N 3.14Å; E276-D278 VanDerWaalsContact O-N 3.13Å
277K51.3Low63.6Low184 Ų18498 Ų9880%0.852%0.519SS*.  trans-71.8102.8166.5-73-179.4178.1179.90105.4M275 D279M275-K277 PolarHBondContact O-N 3.15Å; K277-D279 PolarHBondContact O-N 3.39Å
278D42.8Very low63Low145 Ų14599.2 Ų99.278%0.77553%0.528SS*.  trans-68.6103.3172.5-159.318.4000107.4E276 G280E276-D278 PolarHBondContact O-N 3.14Å; E276-D278 VanDerWaalsContact O-N 3.13Å; D278-G280 PolarHBondContact O-N 3.2Å
279D39.8Very low62.6Low161 Ų161101 Ų10186%0.86154%0.535SS*.  trans-72.867.4177.7-74.2-40.3000109.2K277K277-D279 PolarHBondContact O-N 3.39Å
280G39.1Very low62.8Low39 Ų39105.2 Ų105.240%0.40255%0.552SS.*SBendtrans-175.785.3-175.400000115.1D278 N282D278-G280 PolarHBondContact O-N 3.2Å; G280-N282 VanDerWaalsContact C-N 3.3Å; G280-N282 PolarHBondContact O-N 3Å
281H40.3Very low63Low202 Ų202104.6 Ų104.694%0.93555%0.546SS*.SBendtrans50.731.9152.8-80.168.7000118.7
282N34.7Very low63.3Low112 Ų112109.5 Ų109.560%0.59957%0.567SS**  trans-148.481.3160.9-115.3-13.2000108.3G280 V284G280-N282 VanDerWaalsContact C-N 3.3Å; G280-N282 PolarHBondContact O-N 3Å; N282-V284 HydrophobicContact CB-CG2 4.48Å; N282-V284 PolarHBondContact O-N 2.82Å
283S37.2Very low63.8Low122 Ų122107.5 Ų107.585%0.85355%0.553SS**  trans-67.775.816357.70000107.6E285S283-E285 PolarHBondContact O-N 3.44Å
284V44.4Very low64.5Low70 Ų70104.8 Ų104.842%0.42454%0.539SS..  trans-62.399.7161.4179.20000104N282 F286N282-V284 HydrophobicContact CB-CG2 4.48Å; N282-V284 PolarHBondContact O-N 2.82Å; V284-F286 VanDerWaalsContact C-N 3.33Å; V284-F286 HydrophobicContact CG1-CD1 4.47Å; V284-F286 HydrophobicContact CG1-CE1 4.46Å; V284-F286 VanDerWaalsContact O-CD2 3.26Å; V284-F286 WeakPolarHBondContact O-CD2 3.28Å; V284-F286 PolarHBondContact O-N 2.95Å
285E47.9Very low64.9Low171 Ų171101.9 Ų101.980%0.79952%0.524SS*.  trans-55.5102.9170.5-160.7179.7-169.600106S283 V287S283-E285 PolarHBondContact O-N 3.44Å; E285-V287 WeakPolarHBondContact O-CG2 3.48Å; E285-V287 PolarHBondContact O-N 3.44Å
286F63Low65.8Low129 Ų129105 Ų10557%0.56654%0.542SS*.  trans-71.496.5-174.1-70.2-75.8000108.7P270 M275 V284P270-F286 HydrophobicContact CG-CB 4.01Å; P270-F286 HydrophobicContact CG-CG 4.44Å; M275-F286 HydrophobicContact CE-CE1 4.21Å; M275-F286 HydrophobicContact CE-CZ 4.35Å; V284-F286 VanDerWaalsContact C-N 3.33Å; V284-F286 HydrophobicContact CG1-CD1 4.47Å; V284-F286 HydrophobicContact CG1-CE1 4.46Å; V284-F286 VanDerWaalsContact O-CD2 3.26Å; V284-F286 WeakPolarHBondContact O-CD2 3.28Å; V284-F286 PolarHBondContact O-N 2.95Å
287V71.6Confident67.4Low109 Ų10997.5 Ų97.566%0.66151%0.509SS*.PPolyproline II helixtrans-71.4124.6179.5-176.50000109.1E285 R289E285-V287 WeakPolarHBondContact O-CG2 3.48Å; E285-V287 PolarHBondContact O-N 3.44Å; V287-R289 PolarHBondContact O-N 3.4Å
288P79.7Confident69.5Low39 Ų3990 Ų9025%0.25348%0.479SS..PPolyproline II helixtrans-59.2137.7173.924.4-32.7000110.3V267 R269 Y290V267-P288 HydrophobicContact CG1-CB 4.13Å; R269-P288 HydrophobicContact CG-CB 4.18Å; P288-Y290 HydrophobicContact CB-CE2 4.43Å; P288-Y290 HydrophobicContact CG-CE2 4.12Å
289R85.7Confident71.9Confident39 Ų3983.3 Ų83.315%0.14744%0.443CS..EExtended strand (participates in β ladder)trans-95.8124-179.6-64.1-179.7177.4170.90.6109.9F268 V287 I291 E313F268-R289 HydrophobicContact CB-CB 4.22Å; F268-R289 PolarHBondContact N-O 3.32Å; F268-R289 PolarHBondContact O-N 2.97Å; V287-R289 PolarHBondContact O-N 3.4Å; R289-I291 HydrophobicContact CB-CD1 4.47Å; R289-I291 HydrophobicContact CB-CG1 4.49Å; R289-E313 IonicContact CZ-OE1 3.99Å; R289-E313 IonicContact CZ-OE2 2.74Å; R289-E313 IonicContact NE-OE1 3.09Å; R289-E313 VanDerWaalsContact NH2-CD 3.31Å; R289-E313 IonicContact NH2-OE1 3.44Å; R289-E313 PolarHBondContact NH2-OE1 2.95Å; R289-E313 IonicContact NH2-OE2 3.57Å; R289-E313 PolarHBondContact NH2-OE2 3.04Å
290Y92Very high74.4Confident170 Ų17078 Ų7867%0.66742%0.415SS*.EExtended strand (participates in β ladder)trans-95.7120.9175.4-59.9-90.7000108.5V267 P288V267-Y290 HydrophobicContact CG1-CE1 4.27Å; V267-Y290 HydrophobicContact CG2-CD1 3.92Å; V267-Y290 HydrophobicContact CG2-CE1 3.9Å; P288-Y290 HydrophobicContact CB-CE2 4.43Å; P288-Y290 HydrophobicContact CG-CE2 4.12Å
291I92.3Very high76.9Confident20 Ų2081.7 Ų81.710%0.10342%0.421CS..EExtended strand (participates in β ladder)trans-128.7136.3-172.8-58.9169.7000108.5L266 F268 R289 Y305L266-I291 HydrophobicContact CD1-CB 3.74Å; L266-I291 HydrophobicContact CD1-CD1 3.97Å; L266-I291 HydrophobicContact CD1-CG1 4.25Å; L266-I291 HydrophobicContact CD1-CG2 4.42Å; L266-I291 HydrophobicContact CG-CB 4.01Å; L266-I291 HydrophobicContact CG-CG2 4.46Å; L266-I291 PolarHBondContact N-O 3.03Å; L266-I291 PolarHBondContact O-N 3.09Å; F268-I291 HydrophobicContact CB-CD1 4.04Å; F268-I291 HydrophobicContact CD1-CD1 3.69Å; F268-I291 HydrophobicContact CG-CD1 4.33Å; R289-I291 HydrophobicContact CB-CD1 4.47Å; R289-I291 HydrophobicContact CB-CG1 4.49Å; I291-Y305 HydrophobicContact CD1-CD1 4.01Å; I291-Y305 HydrophobicContact CD1-CE1 3.39Å; I291-Y305 HydrophobicContact CG1-CE1 4.21Å
292K92.5Very high79.3Confident112 Ų11272.4 Ų72.449%0.48738%0.378SS..EExtended strand (participates in β ladder)trans-121.1127.4172.4-159.3174.7-166-135.70108E263 I264 E265E263-K292 HydrophobicContact CG-CD 4.25Å; E263-K292 HydrophobicContact CG-CG 3.8Å; E263-K292 WeakPolarHBondContact OE1-CD 3.21Å; E263-K292 WeakPolarHBondContact OE1-CE 3.37Å; E263-K292 WeakPolarHBondContact OE1-CG 3.31Å; E263-K292 IonicContact OE1-NZ 3.97Å; E263-K292 PolarHBondContact OE1-NZ 3.36Å; E263-K292 VanDerWaalsContact OE2-CE 3.23Å; E263-K292 WeakPolarHBondContact OE2-CE 3.34Å; E263-K292 IonicContact OE2-NZ 3.88Å; E263-K292 PolarHBondContact OE2-NZ 3.32Å; I264-K292 WeakPolarHBondContact O-CA 3.24Å; E265-K292 HydrophobicContact CG-CD 4.12Å; E265-K292 HydrophobicContact CG-CG 3.87Å; E265-K292 VanDerWaalsContact OE1-CE 3.28Å; E265-K292 WeakPolarHBondContact OE1-CE 3.42Å
293T93.1Very high82Confident39 Ų3967.2 Ų67.224%0.23935%0.351CS..EExtended strand (participates in β ladder)trans-152.9168.5-174.2-176.20000110.6I264 L266 A297 L354I264-T293 PolarHBondContact N-O 2.91Å; I264-T293 PolarHBondContact O-N 3.21Å; L266-T293 HydrophobicContact CD2-CG2 4.28Å; T293-A297 HydrophobicContact CG2-CB 4.47Å; T293-L354 HydrophobicContact CG2-CD1 3.39Å
294S93.3Very high84.4Confident54 Ų5466.5 Ų66.538%0.37833%0.332SS..EExtended strand (participates in β ladder)trans-67.9146.1173.565.30000112N296 A297S294-N296 PolarHBondContact O-N 3.21Å; S294-A297 VanDerWaalsContact O-CB 3.25Å; S294-A297 WeakPolarHBondContact O-CB 3.13Å; S294-A297 PolarHBondContact O-N 3.39Å; S294-A297 VanDerWaalsContact O-N 3.1Å
295G89.1Confident86.6Confident1 Ų167.5 Ų67.51%0.0133%0.329CS..THydrogen-bonded Turntrans-65-22.1175.400000113.8S262 I264 A297 L354 E355S262-G295 WeakPolarHBondContact O-CA 3.46Å; S262-G295 PolarHBondContact O-N 3.04Å; I264-G295 VanDerWaalsContact CD1-CA 3.49Å; G295-A297 VanDerWaalsContact C-N 3.28Å; G295-A297 PolarHBondContact O-N 3.32Å; G295-L354 PolarHBondContact O-N 2.71Å; G295-L354 VanDerWaalsContact O-N 3.14Å; G295-E355 PolarHBondContact O-N 3.46Å
296N92.1Very high88.6Confident118 Ų11859.3 Ų59.363%0.63129%0.291SS*.THydrogen-bonded Turntrans-75.2-13.8174.6-65.9-4000113.3S294S294-N296 PolarHBondContact O-N 3.21Å
297A93.5Very high89.7Confident12 Ų1253.4 Ų53.410%0.09927%0.265CS..  trans-60.7149.4172.500000109.9T293 S294 G295 S353 L354T293-A297 HydrophobicContact CG2-CB 4.47Å; S294-A297 VanDerWaalsContact O-CB 3.25Å; S294-A297 WeakPolarHBondContact O-CB 3.13Å; S294-A297 PolarHBondContact O-N 3.39Å; S294-A297 VanDerWaalsContact O-N 3.1Å; G295-A297 VanDerWaalsContact C-N 3.28Å; G295-A297 PolarHBondContact O-N 3.32Å; A297-S353 CarbonylContact O-C 3.49Å; A297-S353 VanDerWaalsContact O-CA 3.25Å; A297-S353 WeakPolarHBondContact O-CA 3.41Å; A297-L354 HydrophobicContact CB-CD1 4Å; A297-L354 HydrophobicContact CB-CG 4.39Å; A297-L354 WeakPolarHBondContact O-CG 3.45Å; A297-L354 PolarHBondContact O-N 2.89Å
298T94.8Very high90.3Very high27 Ų2750.2 Ų50.217%0.16625%0.246CC..BIsolated β-bridgetrans-106166.6-179.4730000112D300 H301 L302 G350 F352T298-D300 PolarHBondContact O-N 3.37Å; T298-D300 PolarHBondContact OG1-N 2.84Å; T298-H301 PolarHBondContact N-ND1 3.39Å; T298-H301 WeakPolarHBondContact O-CB 3.37Å; T298-H301 PolarHBondContact O-N 3.37Å; T298-H301 VanDerWaalsContact O-N 3.08Å; T298-H301 PolarHBondContact OG1-N 3.21Å; T298-H301 PolarHBondContact OG1-ND1 3.42Å; T298-L302 PolarHBondContact O-N 3.34Å; T298-G350 WeakPolarHBondContact CB-O 3.47Å; T298-G350 PolarHBondContact OG1-O 3.42Å; T298-F352 CarbonylContact C-O 3.44Å; T298-F352 WeakPolarHBondContact CA-O 3.28Å; T298-F352 WeakPolarHBondContact CB-O 3.46Å
299V93.4Very high90.6Very high4 Ų452.6 Ų52.62%0.02425%0.25CS..Hα-helixtrans-59.7-35.9174.3176.10000111.6H301 L302 S303 I336 L348 N349 G350 F352 V357V299-H301 VanDerWaalsContact C-N 3.32Å; V299-H301 PolarHBondContact O-N 3.27Å; V299-L302 WeakPolarHBondContact O-CB 3.45Å; V299-L302 PolarHBondContact O-N 2.77Å; V299-L302 VanDerWaalsContact O-N 3.13Å; V299-S303 PolarHBondContact O-N 3.08Å; V299-I336 HydrophobicContact CG1-CB 3.66Å; V299-I336 HydrophobicContact CG1-CG1 3.73Å; V299-I336 HydrophobicContact CG1-CG2 4.27Å; V299-L348 HydrophobicContact CG1-CB 3.98Å; V299-L348 HydrophobicContact CG2-CB 3.91Å; V299-L348 HydrophobicContact CG2-CD1 4.11Å; V299-N349 WeakPolarHBondContact CB-O 3.36Å; V299-G350 PolarHBondContact N-O 3.33Å; V299-F352 HydrophobicContact CG2-CB 4.33Å; V299-F352 PolarHBondContact N-O 3.42Å; V299-V357 HydrophobicContact CG2-CG2 4Å
300D91.9Very high90.5Very high50 Ų5053.1 Ų53.127%0.26726%0.256SS..Hα-helixtrans-62.5-38.2173.5-75-29.3000112.2T298 L302 S303 K304 E331 G350T298-D300 PolarHBondContact O-N 3.37Å; T298-D300 PolarHBondContact OG1-N 2.84Å; D300-L302 VanDerWaalsContact C-N 3.31Å; D300-L302 PolarHBondContact O-N 3.16Å; D300-S303 PolarHBondContact O-N 3.45Å; D300-K304 WeakPolarHBondContact O-CB 3.28Å; D300-K304 PolarHBondContact O-N 2.8Å; D300-E331 HydrophobicContact CB-CB 4.01Å; D300-G350 PolarHBondContact N-O 3.45Å; D300-G350 WeakPolarHBondContact OD1-CA 3.49Å; D300-G350 VanDerWaalsContact OD2-CA 3.31Å; D300-G350 WeakPolarHBondContact OD2-CA 3.47Å
301H91.9Very high89.9Confident116 Ų11646 Ų4654%0.53723%0.232SC..Hα-helixtrans-62.2-39.4173.3-64.9104.4000111.6T298 V299 Y305T298-H301 PolarHBondContact N-ND1 3.39Å; T298-H301 WeakPolarHBondContact O-CB 3.37Å; T298-H301 PolarHBondContact O-N 3.37Å; T298-H301 VanDerWaalsContact O-N 3.08Å; T298-H301 PolarHBondContact OG1-N 3.21Å; T298-H301 PolarHBondContact OG1-ND1 3.42Å; V299-H301 VanDerWaalsContact C-N 3.32Å; V299-H301 PolarHBondContact O-N 3.27Å; H301-Y305 VanDerWaalsContact O-CB 3.23Å; H301-Y305 WeakPolarHBondContact O-CB 2.98Å; H301-Y305 PolarHBondContact O-N 3.46Å
302L91.5Very high89.3Confident7 Ų748.5 Ų48.54%0.03725%0.245CC..Hα-helixtrans-66.8-41175.3-69.3-173.6000112.6L266 F268 T298 V299 D300 Y305 L306 L354 L370L266-L302 HydrophobicContact CD2-CD1 3.98Å; L266-L302 HydrophobicContact CD2-CD2 4.15Å; F268-L302 HydrophobicContact CE1-CB 4.14Å; F268-L302 HydrophobicContact CZ-CB 4.12Å; F268-L302 HydrophobicContact CZ-CD1 4.47Å; T298-L302 PolarHBondContact O-N 3.34Å; V299-L302 WeakPolarHBondContact O-CB 3.45Å; V299-L302 PolarHBondContact O-N 2.77Å; V299-L302 VanDerWaalsContact O-N 3.13Å; D300-L302 VanDerWaalsContact C-N 3.31Å; D300-L302 PolarHBondContact O-N 3.16Å; L302-Y305 PolarHBondContact O-N 3.3Å; L302-L306 VanDerWaalsContact O-CB 3.32Å; L302-L306 WeakPolarHBondContact O-CB 3.23Å; L302-L306 PolarHBondContact O-N 3.32Å; L302-L354 HydrophobicContact CD1-CD1 4.14Å; L302-L354 HydrophobicContact CD1-CD2 3.45Å; L302-L354 VanDerWaalsContact CD1-CD2 3.45Å; L302-L354 HydrophobicContact CD1-CG 4.4Å; L302-L354 HydrophobicContact CD2-CD1 4.27Å; L302-L354 HydrophobicContact CG-CD1 4.28Å; L302-L354 HydrophobicContact CG-CD2 4.12Å; L302-L370 HydrophobicContact CD1-CD1 3.45Å; L302-L370 VanDerWaalsContact CD1-CD1 3.45Å
303S90.3Very high88.6Confident2 Ų246.7 Ų46.71%0.01424%0.239CC..Hα-helixtrans-62.4-47.4175.7176.90000111.4V299 D300 Y305 L306 A307 E331 Y334V299-S303 PolarHBondContact O-N 3.08Å; D300-S303 PolarHBondContact O-N 3.45Å; S303-Y305 PolarHBondContact O-N 3.26Å; S303-L306 WeakPolarHBondContact O-CB 3.42Å; S303-L306 PolarHBondContact O-N 3.16Å; S303-A307 PolarHBondContact O-N 2.71Å; S303-E331 VanDerWaalsContact CB-O 3.3Å; S303-E331 WeakPolarHBondContact CB-O 3.46Å; S303-E331 VanDerWaalsContact OG-C 3.32Å; S303-E331 PolarHBondContact OG-O 3.21Å; S303-Y334 PolarHBondContact OG-O 3.09Å
304K88.3Confident87.6Confident108 Ų10850.2 Ų50.247%0.4725%0.252SS..Hα-helixtrans-62.8-43.3176-172.4175.8-176.5175.90112D300 L306 A307 V308 E331D300-K304 WeakPolarHBondContact O-CB 3.28Å; D300-K304 PolarHBondContact O-N 2.8Å; K304-L306 VanDerWaalsContact C-N 3.29Å; K304-L306 PolarHBondContact O-N 2.64Å; K304-A307 PolarHBondContact O-N 2.93Å; K304-V308 WeakPolarHBondContact O-CG2 3.01Å; K304-V308 PolarHBondContact O-N 3.29Å; K304-E331 HydrophobicContact CB-CB 4.46Å
305Y91.3Very high86.5Confident90 Ų9050.3 Ų50.335%0.35325%0.248SC..Hα-helixtrans-56.2-46.2174.1166-91.4000111.1I291 H301 L302 S303 V308 R309I291-Y305 HydrophobicContact CD1-CD1 4.01Å; I291-Y305 HydrophobicContact CD1-CE1 3.39Å; I291-Y305 HydrophobicContact CG1-CE1 4.21Å; H301-Y305 VanDerWaalsContact O-CB 3.23Å; H301-Y305 WeakPolarHBondContact O-CB 2.98Å; H301-Y305 PolarHBondContact O-N 3.46Å; L302-Y305 PolarHBondContact O-N 3.3Å; S303-Y305 PolarHBondContact O-N 3.26Å; Y305-V308 PolarHBondContact O-N 3.46Å; Y305-R309 HydrophobicContact CE1-CB 4.38Å; Y305-R309 WeakPolarHBondContact O-CB 3.21Å; Y305-R309 PolarHBondContact O-N 3.21Å
306L88.4Confident85.7Confident0 Ų058.1 Ų58.10%028%0.277CS..Hα-helixtrans-61.7-46.5-179.6175.361000111.9F268 L302 S303 K304 R309 L310 Y334 I336 F372F268-L306 HydrophobicContact CE1-CB 4.3Å; F268-L306 HydrophobicContact CE1-CD2 4.4Å; F268-L306 HydrophobicContact CZ-CD2 4.47Å; L302-L306 VanDerWaalsContact O-CB 3.32Å; L302-L306 WeakPolarHBondContact O-CB 3.23Å; L302-L306 PolarHBondContact O-N 3.32Å; S303-L306 WeakPolarHBondContact O-CB 3.42Å; S303-L306 PolarHBondContact O-N 3.16Å; K304-L306 VanDerWaalsContact C-N 3.29Å; K304-L306 PolarHBondContact O-N 2.64Å; L306-R309 PolarHBondContact O-N 2.89Å; L306-L310 HydrophobicContact CD1-CD1 3.63Å; L306-L310 HydrophobicContact CD1-CG 4.12Å; L306-L310 HydrophobicContact CG-CD1 3.99Å; L306-L310 WeakPolarHBondContact O-CB 3.4Å; L306-L310 WeakPolarHBondContact O-CG 3.44Å; L306-L310 PolarHBondContact O-N 3.13Å; L306-Y334 HydrophobicContact CB-CD2 4.4Å; L306-Y334 HydrophobicContact CD2-CD1 3.63Å; L306-Y334 HydrophobicContact CD2-CD2 3.93Å; L306-Y334 HydrophobicContact CD2-CE1 4.3Å; L306-Y334 HydrophobicContact CD2-CG 3.42Å; L306-Y334 VanDerWaalsContact CD2-CG 3.42Å; L306-Y334 HydrophobicContact CG-CD1 4.24Å; L306-Y334 HydrophobicContact CG-CD2 3.92Å; L306-Y334 HydrophobicContact CG-CE2 4.24Å; L306-Y334 HydrophobicContact CG-CG 3.94Å; L306-I336 HydrophobicContact CD2-CD1 4.39Å; L306-F372 HydrophobicContact CD1-CD1 4.18Å; L306-F372 HydrophobicContact CD1-CD2 4.21Å; L306-F372 HydrophobicContact CD1-CE1 4Å; L306-F372 HydrophobicContact CD1-CE2 4.02Å; L306-F372 HydrophobicContact CD1-CG 4.28Å; L306-F372 HydrophobicContact CD1-CZ 3.91Å; L306-F372 HydrophobicContact CD2-CB 3.42Å; L306-F372 VanDerWaalsContact CD2-CB 3.42Å; L306-F372 HydrophobicContact CD2-CD1 3.81Å; L306-F372 HydrophobicContact CD2-CD2 3.38Å; L306-F372 HydrophobicContact CD2-CE1 4.41Å; L306-F372 HydrophobicContact CD2-CE2 4.03Å; L306-F372 HydrophobicContact CD2-CG 3.25Å; L306-F372 HydrophobicContact CG-CD2 4.33Å; L306-F372 HydrophobicContact CG-CG 4.39Å
307A86.3Confident84.5Confident4 Ų459.4 Ų59.43%0.03327%0.273CS..Hα-helixtrans-59-51.5176.100000112.6S303 K304 R309 L310 A311 A329 Q333 Y334S303-A307 PolarHBondContact O-N 2.71Å; K304-A307 PolarHBondContact O-N 2.93Å; A307-R309 VanDerWaalsContact C-N 3.3Å; A307-R309 PolarHBondContact O-N 3.21Å; A307-L310 PolarHBondContact O-N 3.18Å; A307-A311 WeakPolarHBondContact O-CB 3.37Å; A307-A311 PolarHBondContact O-N 3Å; A307-A311 VanDerWaalsContact O-N 3.08Å; A307-A329 HydrophobicContact CB-CB 4.12Å; A307-Q333 HydrophobicContact CB-CB 4.47Å; A307-Y334 HydrophobicContact CB-CD2 4.08Å; A307-Y334 HydrophobicContact CB-CE2 3.95Å
308V84.6Confident83.2Confident43 Ų4362.5 Ų62.526%0.26129%0.288SS..Hα-helixtrans-60.9-42.6177.6173.20000110.5K304 Y305 A311 L312 A329K304-V308 WeakPolarHBondContact O-CG2 3.01Å; K304-V308 PolarHBondContact O-N 3.29Å; Y305-V308 PolarHBondContact O-N 3.46Å; V308-A311 PolarHBondContact O-N 2.6Å; V308-L312 HydrophobicContact CG1-CD1 3.96Å; V308-L312 HydrophobicContact CG1-CG 4.43Å; V308-L312 VanDerWaalsContact O-CG 3.29Å; V308-L312 WeakPolarHBondContact O-CG 3.48Å; V308-L312 PolarHBondContact O-N 2.94Å; V308-A329 HydrophobicContact CG2-CB 3.71Å
309R86.4Confident81.3Confident89 Ų8966.2 Ų66.234%0.33632%0.322SS..Hα-helixtrans-67.2-43.2-176.1-170.867.9-168.5-164.6-3.5112.5Y305 L306 A307 L312 E313Y305-R309 HydrophobicContact CE1-CB 4.38Å; Y305-R309 WeakPolarHBondContact O-CB 3.21Å; Y305-R309 PolarHBondContact O-N 3.21Å; L306-R309 PolarHBondContact O-N 2.89Å; A307-R309 VanDerWaalsContact C-N 3.3Å; A307-R309 PolarHBondContact O-N 3.21Å; R309-L312 PolarHBondContact O-N 3.25Å; R309-E313 IonicContact NE-OE1 3.65Å; R309-E313 PolarHBondContact NE-OE1 3.05Å; R309-E313 WeakPolarHBondContact O-CG 3Å; R309-E313 PolarHBondContact O-N 3.35Å
310L82.8Confident79.3Confident50 Ų5075.5 Ų75.526%0.26237%0.365SS..Hα-helixtrans-64.9-42.5176.5-76.6166.9000111.6L306 A307 L312 E313 E314 Y334L306-L310 HydrophobicContact CD1-CD1 3.63Å; L306-L310 HydrophobicContact CD1-CG 4.12Å; L306-L310 HydrophobicContact CG-CD1 3.99Å; L306-L310 WeakPolarHBondContact O-CB 3.4Å; L306-L310 WeakPolarHBondContact O-CG 3.44Å; L306-L310 PolarHBondContact O-N 3.13Å; A307-L310 PolarHBondContact O-N 3.18Å; L310-L312 VanDerWaalsContact C-N 3.31Å; L310-L312 PolarHBondContact O-N 3.09Å; L310-E313 PolarHBondContact O-N 2.8Å; L310-E313 VanDerWaalsContact O-N 3.15Å; L310-E314 PolarHBondContact O-N 3.43Å; L310-Y334 HydrophobicContact CD1-CE1 3.96Å; L310-Y334 HydrophobicContact CD1-CE2 4.14Å; L310-Y334 WeakPolarHBondContact CD1-OH 3.35Å
311A79.9Confident77.2Confident20 Ų2075.1 Ų75.117%0.16537%0.369CS..Hα-helixtrans-63.5-37.2177.500000112.4A307 V308 E314 L315 V324A307-A311 WeakPolarHBondContact O-CB 3.37Å; A307-A311 PolarHBondContact O-N 3Å; A307-A311 VanDerWaalsContact O-N 3.08Å; V308-A311 PolarHBondContact O-N 2.6Å; A311-E314 PolarHBondContact O-N 3.19Å; A311-L315 WeakPolarHBondContact O-CG 3.48Å; A311-L315 PolarHBondContact O-N 3.39Å; A311-L315 VanDerWaalsContact O-N 3.14Å; A311-V324 HydrophobicContact CB-CB 4.4Å; A311-V324 HydrophobicContact CB-CG1 3.58Å; A311-V324 HydrophobicContact CB-CG2 3.9Å
312L79.3Confident75.2Confident73 Ų7374.2 Ų74.238%0.38238%0.376SS..Hα-helixtrans-68.4-34.2173.6-72.1172.7000113.2V308 R309 L310 L315 R316V308-L312 HydrophobicContact CG1-CD1 3.96Å; V308-L312 HydrophobicContact CG1-CG 4.43Å; V308-L312 VanDerWaalsContact O-CG 3.29Å; V308-L312 WeakPolarHBondContact O-CG 3.48Å; V308-L312 PolarHBondContact O-N 2.94Å; R309-L312 PolarHBondContact O-N 3.25Å; L310-L312 VanDerWaalsContact C-N 3.31Å; L310-L312 PolarHBondContact O-N 3.09Å; L312-L315 HydrophobicContact CD2-CD1 4.47Å; L312-R316 WeakPolarHBondContact O-CG 3.2Å; L312-R316 PolarHBondContact O-N 2.99Å
313E79.1Confident73.2Confident74 Ų7479 Ų7935%0.34641%0.407SS..Hα-helixtrans-69.3-39.6175.7-76.4168.3-166.400111.3R289 R309 L310 R316 R317R289-E313 IonicContact CZ-OE1 3.99Å; R289-E313 IonicContact CZ-OE2 2.74Å; R289-E313 IonicContact NE-OE1 3.09Å; R289-E313 VanDerWaalsContact NH2-CD 3.31Å; R289-E313 IonicContact NH2-OE1 3.44Å; R289-E313 PolarHBondContact NH2-OE1 2.95Å; R289-E313 IonicContact NH2-OE2 3.57Å; R289-E313 PolarHBondContact NH2-OE2 3.04Å; R309-E313 IonicContact NE-OE1 3.65Å; R309-E313 PolarHBondContact NE-OE1 3.05Å; R309-E313 WeakPolarHBondContact O-CG 3Å; R309-E313 PolarHBondContact O-N 3.35Å; L310-E313 PolarHBondContact O-N 2.8Å; L310-E313 VanDerWaalsContact O-N 3.15Å; E313-R316 PolarHBondContact O-N 2.89Å; E313-R317 PolarHBondContact O-N 3.44Å; E313-R317 VanDerWaalsContact O-N 3.14Å
314E72.6Confident71.2Confident113 Ų11381.2 Ų81.253%0.52842%0.42SS..Hα-helixtrans-65.1-40.5176.5-170.5160-155.800112.5L310 A311 R316 R317 N318L310-E314 PolarHBondContact O-N 3.43Å; A311-E314 PolarHBondContact O-N 3.19Å; E314-R316 VanDerWaalsContact C-N 3.29Å; E314-R316 PolarHBondContact O-N 3.11Å; E314-R317 PolarHBondContact O-N 2.93Å; E314-R317 VanDerWaalsContact O-N 3.15Å; E314-N318 PolarHBondContact O-N 3.47Å
315L69.3Low69.4Low56 Ų5680.5 Ų80.529%0.29342%0.422SS..Hα-helixtrans-60.6-35.6171.9-78.7171.7000113.4A311 L312 R317 N318 V324A311-L315 WeakPolarHBondContact O-CG 3.48Å; A311-L315 PolarHBondContact O-N 3.39Å; A311-L315 VanDerWaalsContact O-N 3.14Å; L312-L315 HydrophobicContact CD2-CD1 4.47Å; L315-R317 VanDerWaalsContact C-N 3.3Å; L315-N318 CarbonylContact O-C 3.46Å; L315-V324 HydrophobicContact CD1-CB 3.76Å; L315-V324 HydrophobicContact CD1-CG2 3.36Å; L315-V324 HydrophobicContact CD2-CG2 3.91Å; L315-V324 HydrophobicContact CG-CB 4.35Å; L315-V324 HydrophobicContact CG-CG2 3.43Å; L315-V324 VanDerWaalsContact CG-CG2 3.43Å
316R72.3Confident67.6Low165 Ų16580.5 Ų80.562%0.62343%0.431SS*.Hα-helixtrans-72.5-28177.9-72.8173.6-176.1-167.40.6111.9L312 E313 E314L312-R316 WeakPolarHBondContact O-CG 3.2Å; L312-R316 PolarHBondContact O-N 2.99Å; E313-R316 PolarHBondContact O-N 2.89Å; E314-R316 VanDerWaalsContact C-N 3.29Å; E314-R316 PolarHBondContact O-N 3.11Å
317R67Low65.9Low145 Ų14586.9 Ų86.955%0.54746%0.461SS..Hα-helixtrans-82.5-36.8178.9-162.8-176.869.9171.4-3.8112.2E313 E314 L315E313-R317 PolarHBondContact O-N 3.44Å; E313-R317 VanDerWaalsContact O-N 3.14Å; E314-R317 PolarHBondContact O-N 2.93Å; E314-R317 VanDerWaalsContact O-N 3.15Å; L315-R317 VanDerWaalsContact C-N 3.3Å
318N65.1Low64.4Low76 Ų7689.2 Ų89.241%0.40648%0.48SS..  trans-11695.6-179.4-73.919.2000110.6E314 L315 E320 A321E314-N318 PolarHBondContact O-N 3.47Å; L315-N318 CarbonylContact O-C 3.46Å; N318-E320 PolarHBondContact O-N 3.39Å; N318-E320 VanDerWaalsContact O-N 3.09Å; N318-A321 HydrophobicContact CB-CB 3.89Å; N318-A321 PolarHBondContact O-N 2.95Å; N318-A321 VanDerWaalsContact O-N 3.13Å
319A55.4Low63.3Low106 Ų10687.8 Ų87.888%0.87647%0.473SS*.THydrogen-bonded Turntrans-63.3-11.3176.700000114.4
320E51.4Low62.6Low198 Ų19885.8 Ų85.893%0.92547%0.472SS*.THydrogen-bonded Turntrans-1062.6177.4-64.1-172.2158.300114N318N318-E320 PolarHBondContact O-N 3.39Å; N318-E320 VanDerWaalsContact O-N 3.09Å
321A48.5Very low62.1Low43 Ų4387.7 Ų87.736%0.35548%0.48SS..SBendtrans-73.2135176.400000111N318N318-A321 HydrophobicContact CB-CB 3.89Å; N318-A321 PolarHBondContact O-N 2.95Å; N318-A321 VanDerWaalsContact O-N 3.13Å
322S48.9Very low61.8Low97 Ų9793.9 Ų93.968%0.67850%0.503SS*.PPolyproline II helixtrans-48.2146.5174.147.80000111.9V324S322-V324 PolarHBondContact O-N 3.22Å; S322-V324 VanDerWaalsContact O-N 3.13Å
323P49.5Very low61.8Low106 Ų10694.2 Ų94.269%0.68850%0.503SS*.PPolyproline II helixtrans-53.9124.4-179.122.7-32.9000109.9N325P323-N325 PolarHBondContact O-N 3.16Å; P323-N325 VanDerWaalsContact O-N 3.09Å
324V47.9Very low62.3Low49 Ų4993 Ų9330%0.29750%0.495SS..PPolyproline II helixtrans-53.5120.6173.9167.10000107.9A311 L315 S322 V326A311-V324 HydrophobicContact CB-CB 4.4Å; A311-V324 HydrophobicContact CB-CG1 3.58Å; A311-V324 HydrophobicContact CB-CG2 3.9Å; L315-V324 HydrophobicContact CD1-CB 3.76Å; L315-V324 HydrophobicContact CD1-CG2 3.36Å; L315-V324 HydrophobicContact CD2-CG2 3.91Å; L315-V324 HydrophobicContact CG-CB 4.35Å; L315-V324 HydrophobicContact CG-CG2 3.43Å; L315-V324 VanDerWaalsContact CG-CG2 3.43Å; S322-V324 PolarHBondContact O-N 3.22Å; S322-V324 VanDerWaalsContact O-N 3.13Å; V324-V326 VanDerWaalsContact C-N 3.27Å; V324-V326 HydrophobicContact CG1-CG2 4.4Å; V324-V326 PolarHBondContact O-N 2.99Å
325N50.9Low63.2Low94 Ų9489 Ų8950%0.50348%0.479SS..  trans-67.192.3165.4-176.8-5000106.9P323 E327 A328P323-N325 PolarHBondContact O-N 3.16Å; P323-N325 VanDerWaalsContact O-N 3.09Å; N325-E327 PolarHBondContact O-N 3.33Å; N325-E327 WeakPolarHBondContact OD1-CA 3.12Å; N325-E327 VanDerWaalsContact OD1-CB 3.22Å; N325-E327 WeakPolarHBondContact OD1-CB 3.3Å; N325-E327 PolarHBondContact OD1-N 2.83Å; N325-E327 VanDerWaalsContact OD1-N 3.14Å; N325-E327 PolarHBondContact OD1-OE2 3.46Å; N325-A328 HydrophobicContact CB-CB 3.94Å; N325-A328 WeakPolarHBondContact O-CB 3.35Å; N325-A328 PolarHBondContact O-N 2.98Å; N325-A328 PolarHBondContact OD1-N 3.37Å
326V53.3Low64.3Low90 Ų9086.5 Ų86.555%0.54547%0.466SS..G310 helixtrans-63.1-23.8178.9-163.50000109.7V324 A328 A329V324-V326 VanDerWaalsContact C-N 3.27Å; V324-V326 HydrophobicContact CG1-CG2 4.4Å; V324-V326 PolarHBondContact O-N 2.99Å; V326-A328 VanDerWaalsContact C-N 3.27Å; V326-A328 PolarHBondContact O-N 3.15Å; V326-A329 WeakPolarHBondContact O-CB 3.32Å; V326-A329 PolarHBondContact O-N 3.03Å
327E52.5Low65.3Low133 Ų13380.2 Ų80.262%0.62144%0.442SS*.G310 helixtrans-69.9-17.7170-59.990.1163.800114H171 N325H171-E327 IonicContact CE1-OE1 3.02Å; H171-E327 PolarHBondContact CE1-OE1 2.99Å; H171-E327 IonicContact ND1-OE1 3.35Å; H171-E327 IonicContact NE2-OE1 3.95Å; N325-E327 PolarHBondContact O-N 3.33Å; N325-E327 WeakPolarHBondContact OD1-CA 3.12Å; N325-E327 VanDerWaalsContact OD1-CB 3.22Å; N325-E327 WeakPolarHBondContact OD1-CB 3.3Å; N325-E327 PolarHBondContact OD1-N 2.83Å; N325-E327 VanDerWaalsContact OD1-N 3.14Å; N325-E327 PolarHBondContact OD1-OE2 3.46Å
328A55.6Low66.5Low53 Ų5373.3 Ų73.344%0.43842%0.416SS..G310 helixtrans-84.7-12.9173.600000113.2N325 V326 S330 Q333N325-A328 HydrophobicContact CB-CB 3.94Å; N325-A328 WeakPolarHBondContact O-CB 3.35Å; N325-A328 PolarHBondContact O-N 2.98Å; N325-A328 PolarHBondContact OD1-N 3.37Å; V326-A328 VanDerWaalsContact C-N 3.27Å; V326-A328 PolarHBondContact O-N 3.15Å; A328-S330 PolarHBondContact O-N 3.32Å; A328-Q333 PolarHBondContact O-NE2 2.92Å
329A61.3Low67.8Low13 Ų1371.4 Ų71.411%0.10741%0.408CS..  trans-72100.6175.200000109.6A307 V308 V326 Q333A307-A329 HydrophobicContact CB-CB 4.12Å; V308-A329 HydrophobicContact CG2-CB 3.71Å; V326-A329 WeakPolarHBondContact O-CB 3.32Å; V326-A329 PolarHBondContact O-N 3.03Å; A329-Q333 VanDerWaalsContact CA-OE1 3.32Å
330S72.7Confident69.2Low47 Ų4769.2 Ų69.233%0.32938%0.383SS..  trans-106.7145.7-174.9-177.40000110.7A328 K332 Q333A328-S330 PolarHBondContact O-N 3.32Å; S330-K332 PolarHBondContact O-N 2.7Å; S330-K332 PolarHBondContact OG-N 2.73Å; S330-Q333 PolarHBondContact O-N 3.36Å; S330-Q333 VanDerWaalsContact O-N 3.14Å
331E70.4Confident70.6Confident90 Ų9064.3 Ų64.342%0.42138%0.377SS..THydrogen-bonded Turntrans-57.1-13.9168.264.3-159.3-17800113.5D300 S303 K304D300-E331 HydrophobicContact CB-CB 4.01Å; S303-E331 VanDerWaalsContact CB-O 3.3Å; S303-E331 WeakPolarHBondContact CB-O 3.46Å; S303-E331 VanDerWaalsContact OG-C 3.32Å; S303-E331 PolarHBondContact OG-O 3.21Å; K304-E331 HydrophobicContact CB-CB 4.46Å
332K74.7Confident71.8Confident151 Ų15165.4 Ų65.466%0.65739%0.392SS*.THydrogen-bonded Turntrans-93.11.1179.1-60.2-176.3-179.2179.70114.7S330 T375S330-K332 PolarHBondContact O-N 2.7Å; S330-K332 PolarHBondContact OG-N 2.73Å; K332-T375 WeakPolarHBondContact O-CB 3.46Å; K332-T375 PolarHBondContact O-OG1 3.47Å; K332-T375 VanDerWaalsContact O-OG1 3.09Å
333Q80Confident73Confident79 Ų7967.8 Ų67.837%0.36940%0.397SS..SBendtrans-79-26.4-177.5-74.1176.7-49.700113.2A307 A328 A329 S330 P374 T375A307-Q333 HydrophobicContact CB-CB 4.47Å; A328-Q333 PolarHBondContact O-NE2 2.92Å; A329-Q333 VanDerWaalsContact CA-OE1 3.32Å; S330-Q333 PolarHBondContact O-N 3.36Å; S330-Q333 VanDerWaalsContact O-N 3.14Å; Q333-P374 WeakPolarHBondContact O-CA 3.46Å; Q333-T375 PolarHBondContact O-N 3.13Å; Q333-T375 PolarHBondContact O-OG1 2.86Å
334Y88.5Confident74.7Confident50 Ų5069.2 Ų69.220%0.19640%0.395CS..EExtended strand (participates in β ladder)trans-129.5133.7-178.6-66-83.5000111.5S303 L306 A307 L310 F372 A373 P374 T375S303-Y334 PolarHBondContact OG-O 3.09Å; L306-Y334 HydrophobicContact CB-CD2 4.4Å; L306-Y334 HydrophobicContact CD2-CD1 3.63Å; L306-Y334 HydrophobicContact CD2-CD2 3.93Å; L306-Y334 HydrophobicContact CD2-CE1 4.3Å; L306-Y334 HydrophobicContact CD2-CG 3.42Å; L306-Y334 VanDerWaalsContact CD2-CG 3.42Å; L306-Y334 HydrophobicContact CG-CD1 4.24Å; L306-Y334 HydrophobicContact CG-CD2 3.92Å; L306-Y334 HydrophobicContact CG-CE2 4.24Å; L306-Y334 HydrophobicContact CG-CG 3.94Å; A307-Y334 HydrophobicContact CB-CD2 4.08Å; A307-Y334 HydrophobicContact CB-CE2 3.95Å; L310-Y334 HydrophobicContact CD1-CE1 3.96Å; L310-Y334 HydrophobicContact CD1-CE2 4.14Å; L310-Y334 WeakPolarHBondContact CD1-OH 3.35Å; Y334-F372 HydrophobicContact CD1-CD2 4.03Å; Y334-F372 HydrophobicContact CE1-CD2 4.37Å; Y334-A373 WeakPolarHBondContact CA-O 3.48Å; Y334-P374 HydrophobicContact CE1-CB 4.5Å; Y334-P374 HydrophobicContact CE1-CG 4.17Å; Y334-T375 WeakPolarHBondContact CA-OG1 3.27Å; Y334-T375 PolarHBondContact N-OG1 3.07Å
335T91.1Very high76.8Confident29 Ų2969.4 Ų69.418%0.17839%0.392CS..EExtended strand (participates in β ladder)trans-93.6129.7171.8-55.40000108.4Y337 V347 F372 A373 T375T335-Y337 HydrophobicContact CG2-CD2 4.4Å; T335-Y337 HydrophobicContact CG2-CE1 4.25Å; T335-Y337 HydrophobicContact CG2-CE2 3.67Å; T335-Y337 VanDerWaalsContact O-CD2 3.27Å; T335-Y337 WeakPolarHBondContact O-CD2 3.45Å; T335-Y337 WeakPolarHBondContact O-CE2 3.18Å; T335-V347 HydrophobicContact CG2-CB 4.48Å; T335-V347 HydrophobicContact CG2-CG1 3.63Å; T335-V347 HydrophobicContact CG2-CG2 4.11Å; T335-F372 WeakPolarHBondContact O-CA 3.29Å; T335-A373 PolarHBondContact N-O 3.32Å; T335-A373 PolarHBondContact O-N 3Å; T335-A373 VanDerWaalsContact O-N 3.08Å; T335-T375 PolarHBondContact N-OG1 3.15Å; T335-T375 VanDerWaalsContact N-OG1 3.1Å; T335-T375 PolarHBondContact OG1-OG1 2.66Å
336I93Very high78.7Confident3 Ų367.3 Ų67.32%0.01538%0.383CS..EExtended strand (participates in β ladder)trans-100.9136.8-178.7-49-45.8000109.9F268 V299 L306 L348 L370 Y371 F372F268-I336 HydrophobicContact CE2-CD1 4.01Å; F268-I336 HydrophobicContact CE2-CG2 3.9Å; F268-I336 HydrophobicContact CZ-CD1 3.5Å; F268-I336 VanDerWaalsContact CZ-CD1 3.5Å; F268-I336 HydrophobicContact CZ-CG1 4.2Å; F268-I336 HydrophobicContact CZ-CG2 4.15Å; V299-I336 HydrophobicContact CG1-CB 3.66Å; V299-I336 HydrophobicContact CG1-CG1 3.73Å; V299-I336 HydrophobicContact CG1-CG2 4.27Å; L306-I336 HydrophobicContact CD2-CD1 4.39Å; I336-L348 HydrophobicContact CG2-CD1 4.16Å; I336-L348 PolarHBondContact O-N 2.91Å; I336-L370 HydrophobicContact CG2-CB 4.33Å; I336-L370 HydrophobicContact CG2-CD1 4.31Å; I336-Y371 CarbonylContact C-O 3.6Å; I336-Y371 WeakPolarHBondContact CA-O 3.36Å; I336-F372 HydrophobicContact CD1-CB 3.84Å
337Y93Very high80.6Confident32 Ų3267 Ų6713%0.12538%0.38CS..EExtended strand (participates in β ladder)trans-126.5149.4-174.8-58.2-98.6000110.5H271 L274 T335 F345 T346 V347 Y371 A373H271-Y337 AromaticContact CD2-CD2 3.83Å; H271-Y337 AromaticContact CD2-CG 3.84Å; L274-Y337 HydrophobicContact CD1-CE1 4.26Å; L274-Y337 HydrophobicContact CD1-CE2 4.33Å; T335-Y337 HydrophobicContact CG2-CD2 4.4Å; T335-Y337 HydrophobicContact CG2-CE1 4.25Å; T335-Y337 HydrophobicContact CG2-CE2 3.67Å; T335-Y337 VanDerWaalsContact O-CD2 3.27Å; T335-Y337 WeakPolarHBondContact O-CD2 3.45Å; T335-Y337 WeakPolarHBondContact O-CE2 3.18Å; Y337-F345 HydrophobicContact CD1-CB 4.04Å; Y337-F345 HydrophobicContact CG-CB 4.45Å; Y337-T346 CarbonylContact C-O 3.47Å; Y337-T346 VanDerWaalsContact CA-O 3.27Å; Y337-T346 WeakPolarHBondContact CA-O 3.42Å; Y337-V347 HydrophobicContact CD1-CG2 3.78Å; Y337-V347 HydrophobicContact CE1-CG2 3.37Å; Y337-Y371 PolarHBondContact N-O 3.4Å; Y337-Y371 PolarHBondContact O-N 3.41Å; Y337-A373 HydrophobicContact CE2-CB 3.9Å
338I93.3Very high82.5Confident0 Ų061 Ų610%035%0.353CS..EExtended strand (participates in β ladder)trans-121.1135.9169.5-162.2170.4000109.9T340 T346 L348 V357 Y361 W362 M368 L370I338-T340 PolarHBondContact O-N 3.03Å; I338-T346 PolarHBondContact N-O 3.14Å; I338-T346 PolarHBondContact O-N 3.01Å; I338-L348 HydrophobicContact CB-CD1 4.22Å; I338-L348 HydrophobicContact CB-CD2 4.23Å; I338-L348 HydrophobicContact CB-CG 4.28Å; I338-L348 HydrophobicContact CG2-CD2 3.72Å; I338-L348 HydrophobicContact CG2-CG 4.21Å; I338-V357 HydrophobicContact CD1-CG1 3.97Å; I338-Y361 HydrophobicContact CG2-CD1 4.25Å; I338-Y361 HydrophobicContact CG2-CG 4.18Å; I338-W362 HydrophobicContact CD1-CB 4.34Å; I338-W362 HydrophobicContact CD1-CE3 4.29Å; I338-M368 HydrophobicContact CD1-CG 4.29Å; I338-M368 HydrophobicContact CD1-SD 4.05Å; I338-L370 HydrophobicContact CB-CD2 4.08Å; I338-L370 HydrophobicContact CD1-CD2 4.11Å; I338-L370 HydrophobicContact CG1-CD2 3.96Å
339P90.9Very high84.2Confident36 Ų3662.5 Ų62.523%0.23435%0.354CS..EExtended strand (participates in β ladder)trans-67.8132.6175.830.3-35.1000109.2F345 W362 E369 Y371P339-F345 HydrophobicContact CB-CD1 4.49Å; P339-F345 HydrophobicContact CB-CE1 4.23Å; P339-W362 HydrophobicContact CG-CZ3 4.21Å; P339-E369 WeakPolarHBondContact CD-O 3.44Å; P339-Y371 HydrophobicContact CB-CE2 4.35Å; P339-Y371 HydrophobicContact CG-CD2 4.38Å; P339-Y371 HydrophobicContact CG-CE2 3.85Å
340T85.9Confident85.5Confident60 Ų6062.6 Ų62.637%0.36836%0.355SS..EExtended strand (participates in β ladder)trans-115.9162.4176-50.30000109.1I338 G342 Q344 T346I338-T340 PolarHBondContact O-N 3.03Å; T340-G342 PolarHBondContact O-N 3.49Å; T340-Q344 PolarHBondContact N-O 3.03Å; T340-T346 PolarHBondContact OG1-OG1 3.27Å
341A79.7Confident86.3Confident96 Ų9664.1 Ų64.179%0.79337%0.366SS*.THydrogen-bonded Turntrans-49.5134.217700000111.4
342G74.6Confident87.4Confident65 Ų6561.9 Ų61.967%0.6736%0.355SS*.THydrogen-bonded Turntrans92.622.3-178.800000115.9T340 Q344T340-G342 PolarHBondContact O-N 3.49Å; G342-Q344 PolarHBondContact O-N 2.94Å
343N74.8Confident88.4Confident148 Ų14856.2 Ų56.279%0.79133%0.334SS*.THydrogen-bonded Turntrans58.827.3178.9-155.147.2000113.5
344Q85.1Confident89.1Confident135 Ų13552.4 Ų52.463%0.63132%0.317SS*.EExtended strand (participates in β ladder)trans-99151.1175.8-66.4-178.534.100109.8T340 G342T340-Q344 PolarHBondContact N-O 3.03Å; G342-Q344 PolarHBondContact O-N 2.94Å
345F90.8Very high89.3Confident53 Ų5353 Ų5323%0.23232%0.321CS..EExtended strand (participates in β ladder)trans-112.7122.3178.8-69.3-88.2000109.3H271 P272 Y337 P339 Y371H271-F345 AromaticContact CE1-CD2 3.91Å; H271-F345 AromaticContact NE2-CD1 3.91Å; H271-F345 AromaticContact NE2-CD2 3.49Å; H271-F345 WeakPolarHBondContact NE2-CD2 3.37Å; H271-F345 AromaticContact NE2-CG 3.34Å; H271-F345 VanDerWaalsContact NE2-CG 3.34Å; H271-F345 WeakPolarHBondContact NE2-CG 3.39Å; P272-F345 HydrophobicContact CG-CE2 3.83Å; P272-F345 HydrophobicContact CG-CZ 3.62Å; Y337-F345 HydrophobicContact CD1-CB 4.04Å; Y337-F345 HydrophobicContact CG-CB 4.45Å; P339-F345 HydrophobicContact CB-CD1 4.49Å; P339-F345 HydrophobicContact CB-CE1 4.23Å; F345-Y371 HydrophobicContact CD1-CD2 4.17Å; F345-Y371 HydrophobicContact CD1-CG 4.17Å; F345-Y371 AromaticContact CE1-CD1 3.9Å; F345-Y371 HydrophobicContact CE1-CD1 3.9Å; F345-Y371 AromaticContact CE1-CD2 3.67Å; F345-Y371 HydrophobicContact CE1-CD2 3.67Å; F345-Y371 HydrophobicContact CE1-CE1 4.17Å; F345-Y371 AromaticContact CE1-CE2 3.99Å; F345-Y371 HydrophobicContact CE1-CE2 3.99Å; F345-Y371 AromaticContact CE1-CG 3.66Å; F345-Y371 HydrophobicContact CE1-CG 3.66Å
346T91.6Very high89.4Confident51 Ų5154.7 Ų54.731%0.31333%0.329SS..EExtended strand (participates in β ladder)trans-96.3128.5177.9-60.30000109.4Y337 I338 T340 L348 Y361Y337-T346 CarbonylContact C-O 3.47Å; Y337-T346 VanDerWaalsContact CA-O 3.27Å; Y337-T346 WeakPolarHBondContact CA-O 3.42Å; I338-T346 PolarHBondContact N-O 3.14Å; I338-T346 PolarHBondContact O-N 3.01Å; T340-T346 PolarHBondContact OG1-OG1 3.27Å; T346-L348 PolarHBondContact O-N 3.22Å; T346-Y361 HydrophobicContact CG2-CE1 4.23Å
347V92.7Very high89.3Confident82 Ų8254.6 Ų54.650%0.49733%0.328SS..EExtended strand (participates in β ladder)trans-67.9128173.1177.50000109.5T335 Y337T335-V347 HydrophobicContact CG2-CB 4.48Å; T335-V347 HydrophobicContact CG2-CG1 3.63Å; T335-V347 HydrophobicContact CG2-CG2 4.11Å; Y337-V347 HydrophobicContact CD1-CG2 3.78Å; Y337-V347 HydrophobicContact CE1-CG2 3.37Å
348L92.3Very high89.2Confident8 Ų854.8 Ų54.84%0.04233%0.334CS..PPolyproline II helixtrans-86.6140.3174.5-65.5-179.1000110.6V299 I336 I338 T346 V357 Y361 L370V299-L348 HydrophobicContact CG1-CB 3.98Å; V299-L348 HydrophobicContact CG2-CB 3.91Å; V299-L348 HydrophobicContact CG2-CD1 4.11Å; I336-L348 HydrophobicContact CG2-CD1 4.16Å; I336-L348 PolarHBondContact O-N 2.91Å; I338-L348 HydrophobicContact CB-CD1 4.22Å; I338-L348 HydrophobicContact CB-CD2 4.23Å; I338-L348 HydrophobicContact CB-CG 4.28Å; I338-L348 HydrophobicContact CG2-CD2 3.72Å; I338-L348 HydrophobicContact CG2-CG 4.21Å; T346-L348 PolarHBondContact O-N 3.22Å; L348-V357 HydrophobicContact CD1-CG1 3.66Å; L348-V357 HydrophobicContact CD1-CG2 4.17Å; L348-V357 HydrophobicContact CD2-CG1 3.96Å; L348-V357 HydrophobicContact CD2-CG2 4.27Å; L348-V357 HydrophobicContact CG-CG1 4.5Å; L348-Y361 HydrophobicContact CD2-CD2 3.97Å; L348-Y361 HydrophobicContact CD2-CE2 4.04Å; L348-Y361 HydrophobicContact CD2-CG 4.37Å; L348-L370 HydrophobicContact CD1-CD2 3.79Å
349N90.9Very high89.1Confident85 Ų8560.9 Ų60.946%0.45536%0.363SS..PPolyproline II helixtrans-74.5132.7174-172.7-55.8000109.6V299 S351 F352V299-N349 WeakPolarHBondContact CB-O 3.36Å; N349-S351 PolarHBondContact O-N 3.29Å; N349-S351 VanDerWaalsContact O-N 3.14Å; N349-S351 WeakPolarHBondContact OD1-CB 3.48Å; N349-S351 PolarHBondContact OD1-N 3.02Å; N349-S351 PolarHBondContact OD1-OG 2.97Å; N349-F352 HydrophobicContact CB-CD1 4.04Å; N349-F352 HydrophobicContact CB-CD2 3.81Å; N349-F352 HydrophobicContact CB-CE1 3.94Å; N349-F352 HydrophobicContact CB-CE2 3.7Å; N349-F352 HydrophobicContact CB-CG 3.98Å; N349-F352 HydrophobicContact CB-CZ 3.77Å; N349-F352 WeakPolarHBondContact O-CB 3.44Å; N349-F352 PolarHBondContact O-N 3.04Å
350G88.9Confident89Confident14 Ų1464 Ų6414%0.14437%0.373CS..THydrogen-bonded Turntrans-50.5-35.8179.400000115.4T298 V299 D300 F352T298-G350 WeakPolarHBondContact CB-O 3.47Å; T298-G350 PolarHBondContact OG1-O 3.42Å; V299-G350 PolarHBondContact N-O 3.33Å; D300-G350 PolarHBondContact N-O 3.45Å; D300-G350 WeakPolarHBondContact OD1-CA 3.49Å; D300-G350 VanDerWaalsContact OD2-CA 3.31Å; D300-G350 WeakPolarHBondContact OD2-CA 3.47Å; G350-F352 VanDerWaalsContact C-N 3.32Å; G350-F352 PolarHBondContact O-N 3.49Å
351S90.9Very high89.1Confident79 Ų7964.3 Ų64.355%0.55237%0.367SS*.THydrogen-bonded Turntrans-77.5-10.8-178.464.80000114.8N349N349-S351 PolarHBondContact O-N 3.29Å; N349-S351 VanDerWaalsContact O-N 3.14Å; N349-S351 WeakPolarHBondContact OD1-CB 3.48Å; N349-S351 PolarHBondContact OD1-N 3.02Å; N349-S351 PolarHBondContact OD1-OG 2.97Å
352F93.6Very high89.6Confident43 Ų4361.9 Ų61.919%0.18934%0.338CS..  trans-73.1133.7-179.2-67.7-13000111.3T298 V299 N349 G350 L356 V357 Y361T298-F352 CarbonylContact C-O 3.44Å; T298-F352 WeakPolarHBondContact CA-O 3.28Å; T298-F352 WeakPolarHBondContact CB-O 3.46Å; V299-F352 HydrophobicContact CG2-CB 4.33Å; V299-F352 PolarHBondContact N-O 3.42Å; N349-F352 HydrophobicContact CB-CD1 4.04Å; N349-F352 HydrophobicContact CB-CD2 3.81Å; N349-F352 HydrophobicContact CB-CE1 3.94Å; N349-F352 HydrophobicContact CB-CE2 3.7Å; N349-F352 HydrophobicContact CB-CG 3.98Å; N349-F352 HydrophobicContact CB-CZ 3.77Å; N349-F352 WeakPolarHBondContact O-CB 3.44Å; N349-F352 PolarHBondContact O-N 3.04Å; G350-F352 VanDerWaalsContact C-N 3.32Å; G350-F352 PolarHBondContact O-N 3.49Å; F352-L356 HydrophobicContact CB-CD2 4.3Å; F352-L356 HydrophobicContact CD1-CD2 3.85Å; F352-L356 HydrophobicContact CE1-CD2 4.38Å; F352-L356 HydrophobicContact CG-CD2 4.08Å; F352-V357 HydrophobicContact CB-CG2 3.84Å; F352-Y361 HydrophobicContact CD2-CE2 4.27Å; F352-Y361 HydrophobicContact CE2-CE2 4.17Å
353S95.1Very high90Very high32 Ų3266.7 Ų66.722%0.22434%0.34CS..BIsolated β-bridgetrans-70.9151.8169.565.60000110.8A297 E355 L356 V357A297-S353 CarbonylContact O-C 3.49Å; A297-S353 VanDerWaalsContact O-CA 3.25Å; A297-S353 WeakPolarHBondContact O-CA 3.41Å; S353-E355 PolarHBondContact O-N 2.8Å; S353-L356 WeakPolarHBondContact O-CB 3.46Å; S353-L356 PolarHBondContact O-N 2.79Å; S353-L356 VanDerWaalsContact O-N 3.15Å; S353-L356 WeakPolarHBondContact OG-CB 3.3Å; S353-L356 PolarHBondContact OG-N 3.24Å; S353-V357 WeakPolarHBondContact O-CG2 3.42Å; S353-V357 PolarHBondContact O-N 2.81Å
354L93.8Very high90.5Very high0 Ų063.1 Ų63.10%032%0.324CS..Hα-helixtrans-65.3-29.7178.5-62.8-178.5000112.1I264 L266 T293 G295 A297 L302 V357 S358 M368I264-L354 HydrophobicContact CD1-CB 3.77Å; I264-L354 WeakPolarHBondContact CD1-O 3.32Å; L266-L354 HydrophobicContact CD2-CD1 3.9Å; T293-L354 HydrophobicContact CG2-CD1 3.39Å; G295-L354 PolarHBondContact O-N 2.71Å; G295-L354 VanDerWaalsContact O-N 3.14Å; A297-L354 HydrophobicContact CB-CD1 4Å; A297-L354 HydrophobicContact CB-CG 4.39Å; A297-L354 WeakPolarHBondContact O-CG 3.45Å; A297-L354 PolarHBondContact O-N 2.89Å; L302-L354 HydrophobicContact CD1-CD1 4.14Å; L302-L354 HydrophobicContact CD1-CD2 3.45Å; L302-L354 VanDerWaalsContact CD1-CD2 3.45Å; L302-L354 HydrophobicContact CD1-CG 4.4Å; L302-L354 HydrophobicContact CD2-CD1 4.27Å; L302-L354 HydrophobicContact CG-CD1 4.28Å; L302-L354 HydrophobicContact CG-CD2 4.12Å; L354-V357 PolarHBondContact O-N 3.4Å; L354-S358 VanDerWaalsContact O-CB 3.31Å; L354-S358 WeakPolarHBondContact O-CB 3.48Å; L354-S358 PolarHBondContact O-N 3.35Å; L354-M368 HydrophobicContact CB-CE 4.47Å; L354-M368 HydrophobicContact CD2-CE 4.11Å
355E92.8Very high90.3Very high61 Ų6165 Ų6529%0.28534%0.338SS..Hα-helixtrans-61.7-49.1170.8-170.7167.5-13100111S262 I264 G295 S353 V357 S358 E359S262-E355 WeakPolarHBondContact CB-OE1 3.4Å; S262-E355 PolarHBondContact OG-OE1 2.93Å; I264-E355 HydrophobicContact CD1-CB 4.34Å; G295-E355 PolarHBondContact O-N 3.46Å; S353-E355 PolarHBondContact O-N 2.8Å; E355-V357 VanDerWaalsContact C-N 3.31Å; E355-V357 PolarHBondContact O-N 2.89Å; E355-S358 WeakPolarHBondContact O-CB 3.35Å; E355-S358 PolarHBondContact O-N 3.12Å; E355-E359 WeakPolarHBondContact O-CG 3.34Å; E355-E359 PolarHBondContact O-N 3.31Å
356L92.8Very high90.2Very high66 Ų6669.7 Ų69.735%0.34636%0.358SS..Hα-helixtrans-62-39.2175.6178.463.4000111.9F352 S353 K360F352-L356 HydrophobicContact CB-CD2 4.3Å; F352-L356 HydrophobicContact CD1-CD2 3.85Å; F352-L356 HydrophobicContact CE1-CD2 4.38Å; F352-L356 HydrophobicContact CG-CD2 4.08Å; S353-L356 WeakPolarHBondContact O-CB 3.46Å; S353-L356 PolarHBondContact O-N 2.79Å; S353-L356 VanDerWaalsContact O-N 3.15Å; S353-L356 WeakPolarHBondContact OG-CB 3.3Å; S353-L356 PolarHBondContact OG-N 3.24Å; L356-K360 WeakPolarHBondContact O-CB 3.25Å; L356-K360 PolarHBondContact O-N 3.38Å
357V92.3Very high90.1Very high0 Ų069.9 Ų69.90%036%0.361CS..Hα-helixtrans-64.5-44.2177.4176.10000110.6V299 I338 L348 F352 S353 L354 E355 K360 Y361 W362 M368V299-V357 HydrophobicContact CG2-CG2 4Å; I338-V357 HydrophobicContact CD1-CG1 3.97Å; L348-V357 HydrophobicContact CD1-CG1 3.66Å; L348-V357 HydrophobicContact CD1-CG2 4.17Å; L348-V357 HydrophobicContact CD2-CG1 3.96Å; L348-V357 HydrophobicContact CD2-CG2 4.27Å; L348-V357 HydrophobicContact CG-CG1 4.5Å; F352-V357 HydrophobicContact CB-CG2 3.84Å; S353-V357 WeakPolarHBondContact O-CG2 3.42Å; S353-V357 PolarHBondContact O-N 2.81Å; L354-V357 PolarHBondContact O-N 3.4Å; E355-V357 VanDerWaalsContact C-N 3.31Å; E355-V357 PolarHBondContact O-N 2.89Å; V357-K360 PolarHBondContact O-N 2.97Å; V357-Y361 HydrophobicContact CG1-CD2 4.28Å; V357-Y361 WeakPolarHBondContact O-CB 3.45Å; V357-Y361 PolarHBondContact O-N 3.04Å; V357-W362 PolarHBondContact O-N 3.18Å; V357-M368 HydrophobicContact CB-CE 4.44Å; V357-M368 HydrophobicContact CB-SD 4.32Å; V357-M368 HydrophobicContact CG1-CE 4.07Å; V357-M368 HydrophobicContact CG1-SD 3.58Å; V357-M368 VanDerWaalsContact CG1-SD 3.58Å
358S90.9Very high90.1Very high36 Ų3666.1 Ų66.125%0.25234%0.338SS..Iπ-helixtrans-60-49.6177.7-176.10000111.5L354 E355 K360 W362 K363L354-S358 VanDerWaalsContact O-CB 3.31Å; L354-S358 WeakPolarHBondContact O-CB 3.48Å; L354-S358 PolarHBondContact O-N 3.35Å; E355-S358 WeakPolarHBondContact O-CB 3.35Å; E355-S358 PolarHBondContact O-N 3.12Å; S358-K360 PolarHBondContact O-N 2.8Å; S358-W362 WeakPolarHBondContact O-CB 3.38Å; S358-W362 PolarHBondContact O-N 2.71Å; S358-K363 PolarHBondContact O-N 3.09Å
359E90.6Very high90.1Very high128 Ų12868.4 Ų68.460%0.59835%0.348SS*.Iπ-helixtrans-65.6-39.5179.7-71-177.5167.900113E355 K363E355-E359 WeakPolarHBondContact O-CG 3.34Å; E355-E359 PolarHBondContact O-N 3.31Å; E359-K363 WeakPolarHBondContact O-CE 3.49Å; E359-K363 WeakPolarHBondContact O-CG 3.32Å
360K89.5Confident90.3Very high103 Ų10364.3 Ų64.345%0.44833%0.326SS..Iπ-helixtrans-86.2-41.4-171.6-172.8173.8175.1-163.80113.1L356 V357 S358 K363L356-K360 WeakPolarHBondContact O-CB 3.25Å; L356-K360 PolarHBondContact O-N 3.38Å; V357-K360 PolarHBondContact O-N 2.97Å; S358-K360 PolarHBondContact O-N 2.8Å; K360-K363 VanDerWaalsContact O-CE 3.3Å; K360-K363 WeakPolarHBondContact O-CE 3.31Å
361Y87.8Confident90.5Very high65 Ų6565 Ų6526%0.25533%0.325SS..Iπ-helixtrans-114.9-31.7-168.5-60.6-84.8000113.9I338 T346 L348 F352 V357I338-Y361 HydrophobicContact CG2-CD1 4.25Å; I338-Y361 HydrophobicContact CG2-CG 4.18Å; T346-Y361 HydrophobicContact CG2-CE1 4.23Å; L348-Y361 HydrophobicContact CD2-CD2 3.97Å; L348-Y361 HydrophobicContact CD2-CE2 4.04Å; L348-Y361 HydrophobicContact CD2-CG 4.37Å; F352-Y361 HydrophobicContact CD2-CE2 4.27Å; F352-Y361 HydrophobicContact CE2-CE2 4.17Å; V357-Y361 HydrophobicContact CG1-CD2 4.28Å; V357-Y361 WeakPolarHBondContact O-CB 3.45Å; V357-Y361 PolarHBondContact O-N 3.04Å
362W89.8Confident90.5Very high46 Ų4662 Ų6217%0.17430%0.302CS..Iπ-helixtrans-89.3-56-176.6-168.6-121000112.6I338 P339 V357 S358 V364 K366 P367 M368 E369I338-W362 HydrophobicContact CD1-CB 4.34Å; I338-W362 HydrophobicContact CD1-CE3 4.29Å; P339-W362 HydrophobicContact CG-CZ3 4.21Å; V357-W362 PolarHBondContact O-N 3.18Å; S358-W362 WeakPolarHBondContact O-CB 3.38Å; S358-W362 PolarHBondContact O-N 2.71Å; W362-V364 PolarHBondContact NE1-O 2.77Å; W362-V364 WeakPolarHBondContact O-CG2 3.24Å; W362-V364 PolarHBondContact O-N 3.16Å; W362-K366 HydrophobicContact CZ2-CB 4.47Å; W362-K366 PolarHBondContact NE1-O 3.5Å; W362-P367 VanDerWaalsContact CZ2-O 3.23Å; W362-P367 WeakPolarHBondContact CZ2-O 3.19Å; W362-M368 HydrophobicContact CB-CG 4.26Å; W362-M368 HydrophobicContact CB-SD 4.2Å; W362-M368 HydrophobicContact CD2-CB 4.37Å; W362-M368 HydrophobicContact CD2-CG 4.09Å; W362-M368 HydrophobicContact CE3-CG 4.35Å; W362-M368 HydrophobicContact CG-CB 4.28Å; W362-M368 HydrophobicContact CG-CG 4.05Å; W362-E369 HydrophobicContact CH2-CB 3.73Å; W362-E369 HydrophobicContact CH2-CG 3.77Å; W362-E369 HydrophobicContact CZ2-CG 4.39Å; W362-E369 HydrophobicContact CZ3-CB 4.01Å
363K83.6Confident90.3Very high165 Ų16560 Ų6072%0.71729%0.293SS*.  trans52.623.5176.1-61.1-179.7178.6177.70115.2S358 E359 K360S358-K363 PolarHBondContact O-N 3.09Å; E359-K363 WeakPolarHBondContact O-CE 3.49Å; E359-K363 WeakPolarHBondContact O-CG 3.32Å; K360-K363 VanDerWaalsContact O-CE 3.3Å; K360-K363 WeakPolarHBondContact O-CE 3.31Å
364V84.1Confident89.9Confident74 Ų7461.6 Ų61.645%0.44830%0.303SS..SBendtrans-126139.2179.6177.80000108.9W362 K366W362-V364 PolarHBondContact NE1-O 2.77Å; W362-V364 WeakPolarHBondContact O-CG2 3.24Å; W362-V364 PolarHBondContact O-N 3.16Å; V364-K366 HydrophobicContact CG1-CB 3.89Å; V364-K366 HydrophobicContact CG1-CD 4.01Å; V364-K366 HydrophobicContact CG1-CG 3.8Å; V364-K366 PolarHBondContact O-N 3.38Å
365N82.1Confident89.4Confident173 Ų17364 Ų6493%0.92532%0.318SS*.SBendtrans-8160.9175-16310.5000111.2
366K87.9Confident88.4Confident152 Ų15268.4 Ų68.466%0.66134%0.336SS*.SBendtrans-142.1157.9176.5-73.2-175.8179.4-178.30108.6W362 V364 M368W362-K366 HydrophobicContact CZ2-CB 4.47Å; W362-K366 PolarHBondContact NE1-O 3.5Å; V364-K366 HydrophobicContact CG1-CB 3.89Å; V364-K366 HydrophobicContact CG1-CD 4.01Å; V364-K366 HydrophobicContact CG1-CG 3.8Å; V364-K366 PolarHBondContact O-N 3.38Å; K366-M368 PolarHBondContact O-N 3.3Å
367P89.7Confident86.4Confident56 Ų5673.7 Ų73.736%0.36436%0.359SS..  trans-51.7131.5172.7-26.635.2000111.1E265 V267 W362 E369E265-P367 HydrophobicContact CB-CB 4.15Å; E265-P367 HydrophobicContact CB-CG 4.32Å; E265-P367 CarbonylContact O-C 3.59Å; E265-P367 VanDerWaalsContact O-CA 3.27Å; E265-P367 WeakPolarHBondContact O-CA 3.49Å; V267-P367 HydrophobicContact CG2-CB 4.21Å; W362-P367 VanDerWaalsContact CZ2-O 3.23Å; W362-P367 WeakPolarHBondContact CZ2-O 3.19Å; P367-E369 PolarHBondContact O-N 3.27Å
368M92.8Very high83.8Confident2 Ų283.1 Ų83.11%0.0140%0.402CS..EExtended strand (participates in β ladder)trans-70.1127.2-174.4-178.3167.160.300110.6I264 E265 L266 V267 I338 L354 V357 W362 K366 L370I264-M368 HydrophobicContact CG2-CE 4.5Å; E265-M368 PolarHBondContact O-N 2.82Å; L266-M368 CarbonylContact C-O 3.55Å; L266-M368 WeakPolarHBondContact CA-O 3.48Å; L266-M368 HydrophobicContact CB-CB 4.2Å; L266-M368 VanDerWaalsContact CB-O 3.26Å; L266-M368 WeakPolarHBondContact CB-O 3.26Å; V267-M368 PolarHBondContact N-O 2.94Å; I338-M368 HydrophobicContact CD1-CG 4.29Å; I338-M368 HydrophobicContact CD1-SD 4.05Å; L354-M368 HydrophobicContact CB-CE 4.47Å; L354-M368 HydrophobicContact CD2-CE 4.11Å; V357-M368 HydrophobicContact CB-CE 4.44Å; V357-M368 HydrophobicContact CB-SD 4.32Å; V357-M368 HydrophobicContact CG1-CE 4.07Å; V357-M368 HydrophobicContact CG1-SD 3.58Å; V357-M368 VanDerWaalsContact CG1-SD 3.58Å; W362-M368 HydrophobicContact CB-CG 4.26Å; W362-M368 HydrophobicContact CB-SD 4.2Å; W362-M368 HydrophobicContact CD2-CB 4.37Å; W362-M368 HydrophobicContact CD2-CG 4.09Å; W362-M368 HydrophobicContact CE3-CG 4.35Å; W362-M368 HydrophobicContact CG-CB 4.28Å; W362-M368 HydrophobicContact CG-CG 4.05Å; K366-M368 PolarHBondContact O-N 3.3Å; M368-L370 HydrophobicContact CE-CD1 3.82Å; M368-L370 HydrophobicContact CE-CD2 4.13Å; M368-L370 HydrophobicContact CE-CG 4.11Å; M368-L370 HydrophobicContact CG-CD2 3.93Å; M368-L370 HydrophobicContact CG-CG 4.09Å; M368-L370 HydrophobicContact SD-CD2 4Å; M368-L370 HydrophobicContact SD-CG 4.47Å
369E93.1Very high80.9Confident56 Ų5694.2 Ų94.226%0.26245%0.446SS..EExtended strand (participates in β ladder)trans-89.8114.4175.2-66-165.6-178.700110.6V267 R269 P339 W362 P367 Y371V267-E369 HydrophobicContact CB-CG 4.41Å; V267-E369 WeakPolarHBondContact O-CA 3.17Å; R269-E369 IonicContact CZ-OE1 2.67Å; R269-E369 IonicContact NH1-OE1 3.37Å; R269-E369 PolarHBondContact NH1-OE1 3.04Å; R269-E369 IonicContact NH1-OE2 3.81Å; R269-E369 PolarHBondContact NH1-OE2 2.83Å; R269-E369 VanDerWaalsContact NH1-OE2 3.09Å; R269-E369 IonicContact NH2-OE1 3.34Å; P339-E369 WeakPolarHBondContact CD-O 3.44Å; W362-E369 HydrophobicContact CH2-CB 3.73Å; W362-E369 HydrophobicContact CH2-CG 3.77Å; W362-E369 HydrophobicContact CZ2-CG 4.39Å; W362-E369 HydrophobicContact CZ3-CB 4.01Å; P367-E369 PolarHBondContact O-N 3.27Å; E369-Y371 HydrophobicContact CB-CE2 4.14Å; E369-Y371 PolarHBondContact OE2-OH 3.49Å
370L94Very high80.4Confident0 Ų092.5 Ų92.50%044%0.438CS..EExtended strand (participates in β ladder)trans-114.1149.9175.6-62.4-177.7000110.4L266 V267 F268 R269 L302 I336 I338 L348 M368L266-L370 HydrophobicContact CD2-CD1 4.26Å; V267-L370 PolarHBondContact O-N 3.43Å; F268-L370 WeakPolarHBondContact CA-O 3.27Å; F268-L370 HydrophobicContact CD2-CB 3.63Å; F268-L370 WeakPolarHBondContact CD2-O 3.23Å; F268-L370 HydrophobicContact CE2-CB 3.7Å; R269-L370 PolarHBondContact N-O 3.3Å; L302-L370 HydrophobicContact CD1-CD1 3.45Å; L302-L370 VanDerWaalsContact CD1-CD1 3.45Å; I336-L370 HydrophobicContact CG2-CB 4.33Å; I336-L370 HydrophobicContact CG2-CD1 4.31Å; I338-L370 HydrophobicContact CB-CD2 4.08Å; I338-L370 HydrophobicContact CD1-CD2 4.11Å; I338-L370 HydrophobicContact CG1-CD2 3.96Å; L348-L370 HydrophobicContact CD1-CD2 3.79Å; M368-L370 HydrophobicContact CE-CD1 3.82Å; M368-L370 HydrophobicContact CE-CD2 4.13Å; M368-L370 HydrophobicContact CE-CG 4.11Å; M368-L370 HydrophobicContact CG-CD2 3.93Å; M368-L370 HydrophobicContact CG-CG 4.09Å; M368-L370 HydrophobicContact SD-CD2 4Å; M368-L370 HydrophobicContact SD-CG 4.47Å
371Y92.8Very high79.9Confident29 Ų2991.9 Ų91.911%0.11444%0.438CS..EExtended strand (participates in β ladder)trans-122.6146.8-179.4-64.8-102.7000109.9R269 P270 I336 Y337 P339 F345 E369R269-Y371 HydrophobicContact CB-CD1 3.78Å; R269-Y371 HydrophobicContact CB-CE1 3.73Å; R269-Y371 HydrophobicContact CB-CG 4.45Å; R269-Y371 HydrophobicContact CG-CE1 4.49Å; R269-Y371 PolarHBondContact NH1-OH 3.3Å; R269-Y371 CarbonylContact O-C 3.55Å; R269-Y371 WeakPolarHBondContact O-CA 3.41Å; P270-Y371 WeakPolarHBondContact O-CD1 3.31Å; I336-Y371 CarbonylContact C-O 3.6Å; I336-Y371 WeakPolarHBondContact CA-O 3.36Å; Y337-Y371 PolarHBondContact N-O 3.4Å; Y337-Y371 PolarHBondContact O-N 3.41Å; P339-Y371 HydrophobicContact CB-CE2 4.35Å; P339-Y371 HydrophobicContact CG-CD2 4.38Å; P339-Y371 HydrophobicContact CG-CE2 3.85Å; F345-Y371 HydrophobicContact CD1-CD2 4.17Å; F345-Y371 HydrophobicContact CD1-CG 4.17Å; F345-Y371 AromaticContact CE1-CD1 3.9Å; F345-Y371 HydrophobicContact CE1-CD1 3.9Å; F345-Y371 AromaticContact CE1-CD2 3.67Å; F345-Y371 HydrophobicContact CE1-CD2 3.67Å; F345-Y371 HydrophobicContact CE1-CE1 4.17Å; F345-Y371 AromaticContact CE1-CE2 3.99Å; F345-Y371 HydrophobicContact CE1-CE2 3.99Å; F345-Y371 AromaticContact CE1-CG 3.66Å; F345-Y371 HydrophobicContact CE1-CG 3.66Å; E369-Y371 HydrophobicContact CB-CE2 4.14Å; E369-Y371 PolarHBondContact OE2-OH 3.49Å
372F91.6Very high79.5Confident14 Ų1493.4 Ų93.46%0.06145%0.448CS..EExtended strand (participates in β ladder)trans-129.7149.7177.967.3-96.4000112F268 R269 P270 H271 M275 L306 Y334 T335 I336F268-F372 AromaticContact CD2-CD1 3.95Å; F268-F372 HydrophobicContact CD2-CD1 3.95Å; F268-F372 HydrophobicContact CE2-CB 4.07Å; F268-F372 HydrophobicContact CE2-CD1 4.12Å; F268-F372 HydrophobicContact CG-CD1 4.21Å; F268-F372 HydrophobicContact CZ-CB 4.32Å; R269-F372 WeakPolarHBondContact O-CD1 3.48Å; R269-F372 WeakPolarHBondContact O-CE1 3.39Å; R269-F372 PolarHBondContact O-N 2.81Å; P270-F372 HydrophobicContact CB-CZ 4.45Å; H271-F372 WeakPolarHBondContact CB-O 3.41Å; H271-F372 PolarHBondContact N-O 3.3Å; M275-F372 HydrophobicContact SD-CE2 4.17Å; L306-F372 HydrophobicContact CD1-CD1 4.18Å; L306-F372 HydrophobicContact CD1-CD2 4.21Å; L306-F372 HydrophobicContact CD1-CE1 4Å; L306-F372 HydrophobicContact CD1-CE2 4.02Å; L306-F372 HydrophobicContact CD1-CG 4.28Å; L306-F372 HydrophobicContact CD1-CZ 3.91Å; L306-F372 HydrophobicContact CD2-CB 3.42Å; L306-F372 VanDerWaalsContact CD2-CB 3.42Å; L306-F372 HydrophobicContact CD2-CD1 3.81Å; L306-F372 HydrophobicContact CD2-CD2 3.38Å; L306-F372 HydrophobicContact CD2-CE1 4.41Å; L306-F372 HydrophobicContact CD2-CE2 4.03Å; L306-F372 HydrophobicContact CD2-CG 3.25Å; L306-F372 HydrophobicContact CG-CD2 4.33Å; L306-F372 HydrophobicContact CG-CG 4.39Å; Y334-F372 HydrophobicContact CD1-CD2 4.03Å; Y334-F372 HydrophobicContact CE1-CD2 4.37Å; T335-F372 WeakPolarHBondContact O-CA 3.29Å; I336-F372 HydrophobicContact CD1-CB 3.84Å
373A88.9Confident78.9Confident2 Ų296.2 Ų96.22%0.01746%0.464CS..EExtended strand (participates in β ladder)trans-141151.2168.500000109.7H271 L274 Y334 T335 Y337 T375H271-A373 HydrophobicContact CB-CB 3.95Å; L274-A373 HydrophobicContact CB-CB 3.72Å; L274-A373 HydrophobicContact CD1-CB 4.22Å; Y334-A373 WeakPolarHBondContact CA-O 3.48Å; T335-A373 PolarHBondContact N-O 3.32Å; T335-A373 PolarHBondContact O-N 3Å; T335-A373 VanDerWaalsContact O-N 3.08Å; Y337-A373 HydrophobicContact CE2-CB 3.9Å; A373-T375 PolarHBondContact O-N 3.06Å
374P87.6Confident78.6Confident66 Ų6691.9 Ų91.943%0.42945%0.448SS..EExtended strand (participates in β ladder)trans-54.5133.2170.7-22.332.8000110.4Q333 Y334 K376Q333-P374 WeakPolarHBondContact O-CA 3.46Å; Y334-P374 HydrophobicContact CE1-CB 4.5Å; Y334-P374 HydrophobicContact CE1-CG 4.17Å; P374-K376 PolarHBondContact O-N 3.17Å
375T83.2Confident78.2Confident50 Ų5093.1 Ų93.131%0.30745%0.448SS..  trans-68.7114.9178.2-56.90000108.8K332 Q333 Y334 T335 A373 E377K332-T375 WeakPolarHBondContact O-CB 3.46Å; K332-T375 PolarHBondContact O-OG1 3.47Å; K332-T375 VanDerWaalsContact O-OG1 3.09Å; Q333-T375 PolarHBondContact O-N 3.13Å; Q333-T375 PolarHBondContact O-OG1 2.86Å; Y334-T375 WeakPolarHBondContact CA-OG1 3.27Å; Y334-T375 PolarHBondContact N-OG1 3.07Å; T335-T375 PolarHBondContact N-OG1 3.15Å; T335-T375 VanDerWaalsContact N-OG1 3.1Å; T335-T375 PolarHBondContact OG1-OG1 2.66Å; A373-T375 PolarHBondContact O-N 3.06Å; T375-E377 PolarHBondContact O-N 3.21Å
376K70.9Confident77.9Confident153 Ų15387.4 Ų87.467%0.66541%0.414SS*.  trans-75.7103.3170.4-63.8-174.2179.5-171.30107.3P374 H378P374-K376 PolarHBondContact O-N 3.17Å; K376-H378 PolarHBondContact O-N 3.34Å
377E50.6Low77.1Confident177 Ų17782.5 Ų82.583%0.82740%0.395SS*.  trans-58.5121.8171.6-70-172.716300109T375 K379T375-E377 PolarHBondContact O-N 3.21Å; E377-K379 PolarHBondContact O-N 3.31Å; E377-K379 VanDerWaalsContact O-N 3.1Å
378H38Very low76.1Confident198 Ų19884.7 Ų84.792%0.91740%0.398SS*.  trans-67.4105.2159.4-97.7-80.8000106.5K376K376-H378 PolarHBondContact O-N 3.34Å
379K29.8Very low74.6Confident269 Ų26992.2 Ų92.2100%1.1743%0.433SS*.  trans-63.50170.4-153.1179-169.9179.10111.3E377E377-K379 PolarHBondContact O-N 3.31Å; E377-K379 VanDerWaalsContact O-N 3.1Å

Retrieved 379 of 379 residues in 60.5 ms (Link to these results)