A0A5K4F512_SCHMA Loading...

Negative elongation factor E

AlphaFold DB , UniProt , Accession A0A5K4F512, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 334 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
1M58.4Low60.2Low238 Ų238147.4 Ų147.4100%1.17283%0.829SS**  0106.50-72.8-179.5-177.100106.1I3M1-I3 PolarHBondContact O-N 2.97Å
2T52.4Low60.7Low133 Ų133151.4 Ų151.482%0.81683%0.831SS**  trans-69.2116.8177.728.20000108.2
3I60.9Low61.3Low150 Ų150152.5 Ų152.577%0.76984%0.835SS**  trans-86108.3173.3-65167.3000104.7M1M1-I3 PolarHBondContact O-N 2.97Å
4E66.8Low62Low173 Ų173150.4 Ų150.481%0.80882%0.821SS**PPolyproline II helixtrans-82.3118.7172.4-62.3-169.9172.900107.7
5D61Low63.2Low139 Ų139146.7 Ų146.774%0.74380%0.8SS**PPolyproline II helixtrans-67.5136.6175.6-74.9-47.7000110.1D7D5-D7 PolarHBondContact O-N 3.3Å
6P71.5Confident64.3Low115 Ų115143.3 Ų143.375%0.74779%0.785SS**PPolyproline II helixtrans-74.9123.8174.930-30.6000109.7L8P6-L8 PolarHBondContact O-N 3.39Å; P6-L8 VanDerWaalsContact O-N 3.09Å
7D57.8Low65.3Low156 Ų156141.9 Ų141.983%0.83478%0.776SS**  trans-48.2112.7173.6-70.5-47000111.7D5 E9D5-D7 PolarHBondContact O-N 3.3Å; D7-E9 PolarHBondContact O-N 3.35Å
8L57.7Low66.2Low172 Ų172142.1 Ų142.190%0.90177%0.771SS**  trans-72.882.8161.9-80.3157.9000107.8P6 A10P6-L8 PolarHBondContact O-N 3.39Å; P6-L8 VanDerWaalsContact O-N 3.09Å; L8-A10 VanDerWaalsContact C-N 3.27Å; L8-A10 PolarHBondContact O-N 2.96Å
9E62Low66.9Low184 Ų184139.2 Ų139.286%0.8675%0.754SS**  trans-62.893164.6-91.4-83.2147.800108.7D7D7-E9 PolarHBondContact O-N 3.35Å
10A54.1Low67.6Low93 Ų93137.3 Ų137.377%0.76974%0.743SS**  trans-67.3136.1174.300000110.9L8L8-A10 VanDerWaalsContact C-N 3.27Å; L8-A10 PolarHBondContact O-N 2.96Å
11G59.1Low68.2Low68 Ų68133.7 Ų133.770%0.70173%0.732SS**  trans98.833148.100000118.2N13G11-N13 PolarHBondContact O-N 3.24Å; G11-N13 VanDerWaalsContact O-N 3.07Å
12K66.4Low69.2Low196 Ų196126.5 Ų126.585%0.85271%0.705SS**  trans-68.6104155.1-75.5-177.8-178.4175.40108.1I14K12-I14 PolarHBondContact O-N 3.01Å
13N68.9Low70.7Confident166 Ų166127.1 Ų127.189%0.88870%0.696SS**  trans-55.9103164.6-80-70.4000107.1G11 D15G11-N13 PolarHBondContact O-N 3.24Å; G11-N13 VanDerWaalsContact O-N 3.07Å; N13-D15 PolarHBondContact O-N 2.87Å
14I70.9Confident71.7Confident123 Ų123124.5 Ų124.563%0.63169%0.688SS**  trans-71.4114.6172.2-66156000105.3K12 V16 L19K12-I14 PolarHBondContact O-N 3.01Å; I14-V16 PolarHBondContact O-N 3.36Å; I14-L19 HydrophobicContact CG2-CD1 4.23Å
15D80.5Confident72.4Confident95 Ų95123 Ų12351%0.50868%0.684SS.*  trans-65.6108.6175.3-161.4-13.4000108.2N13 D17 E18 L19N13-D15 PolarHBondContact O-N 2.87Å; D15-D17 PolarHBondContact O-N 3.27Å; D15-D17 PolarHBondContact OD1-N 3.49Å; D15-E18 HydrophobicContact CB-CB 4.11Å; D15-E18 PolarHBondContact O-N 2.8Å; D15-E18 VanDerWaalsContact O-N 3.1Å; D15-L19 PolarHBondContact O-N 3.34Å; D15-L19 VanDerWaalsContact O-N 3.1Å
16V81Confident73.3Confident92 Ų92123.7 Ų123.756%0.55869%0.687SS**Hα-helixtrans-63.2-28.1-174-171.50000110I14 L19 L20I14-V16 PolarHBondContact O-N 3.36Å; V16-L19 PolarHBondContact O-N 3.16Å; V16-L20 HydrophobicContact CG1-CD1 3.97Å; V16-L20 WeakPolarHBondContact O-CB 3.12Å; V16-L20 WeakPolarHBondContact O-CD1 3.4Å; V16-L20 WeakPolarHBondContact O-CG 3.25Å; V16-L20 PolarHBondContact O-N 3.41Å
17D81.1Confident73.8Confident120 Ų120124.9 Ų124.964%0.64269%0.687SS**Hα-helixtrans-71-35.6177.1-69.1-24.4000111.7D15 A21D15-D17 PolarHBondContact O-N 3.27Å; D15-D17 PolarHBondContact OD1-N 3.49Å; D17-A21 VanDerWaalsContact O-CB 3.28Å; D17-A21 WeakPolarHBondContact O-CB 3.29Å; D17-A21 PolarHBondContact O-N 2.78Å
18E80.4Confident75Confident144 Ų144122.4 Ų122.467%0.67368%0.679SS**Hα-helixtrans-70-37.9173.3-169.2175.6-17200111.1D15 A21 S22D15-E18 HydrophobicContact CB-CB 4.11Å; D15-E18 PolarHBondContact O-N 2.8Å; D15-E18 VanDerWaalsContact O-N 3.1Å; E18-A21 PolarHBondContact O-N 3.24Å; E18-S22 PolarHBondContact O-N 2.87Å; E18-S22 VanDerWaalsContact O-N 3.17Å
19L79.8Confident76.1Confident87 Ų87121.9 Ų121.946%0.45568%0.678SS.*Hα-helixtrans-64.9-45.6174.2-159.292.5000111.1I14 D15 V16 S22 F23I14-L19 HydrophobicContact CG2-CD1 4.23Å; D15-L19 PolarHBondContact O-N 3.34Å; D15-L19 VanDerWaalsContact O-N 3.1Å; V16-L19 PolarHBondContact O-N 3.16Å; L19-S22 PolarHBondContact O-N 2.77Å; L19-S22 PolarHBondContact O-OG 3.48Å; L19-F23 HydrophobicContact CD2-CE2 4.05Å; L19-F23 HydrophobicContact CG-CE2 3.98Å; L19-F23 WeakPolarHBondContact O-CD2 3.46Å; L19-F23 PolarHBondContact O-N 3.48Å
20L81.1Confident77.3Confident102 Ų102120.5 Ų120.553%0.53467%0.671SS.*Hα-helixtrans-63.6-39.7176.6-83.8156.5000111.9V16 S22 F23 T24V16-L20 HydrophobicContact CG1-CD1 3.97Å; V16-L20 WeakPolarHBondContact O-CB 3.12Å; V16-L20 WeakPolarHBondContact O-CD1 3.4Å; V16-L20 WeakPolarHBondContact O-CG 3.25Å; V16-L20 PolarHBondContact O-N 3.41Å; L20-S22 PolarHBondContact O-N 3.2Å; L20-F23 PolarHBondContact O-N 3.19Å; L20-T24 PolarHBondContact O-N 2.78Å; L20-T24 PolarHBondContact O-OG1 3.02Å
21A81.1Confident78.8Confident61 Ų61118.8 Ų118.850%0.50465%0.647SS.*Hα-helixtrans-60.4-34.2175.800000112D17 E18 F23 T24D17-A21 VanDerWaalsContact O-CB 3.28Å; D17-A21 WeakPolarHBondContact O-CB 3.29Å; D17-A21 PolarHBondContact O-N 2.78Å; E18-A21 PolarHBondContact O-N 3.24Å; A21-F23 VanDerWaalsContact C-N 3.28Å; A21-F23 PolarHBondContact O-N 3.29Å; A21-T24 VanDerWaalsContact C-OG1 3.31Å; A21-T24 VanDerWaalsContact CA-OG1 3.32Å; A21-T24 WeakPolarHBondContact CA-OG1 3.25Å; A21-T24 PolarHBondContact O-N 2.6Å; A21-T24 PolarHBondContact O-OG1 3.17Å
22S79.4Confident80.2Confident87 Ų87118.7 Ų118.761%0.60863%0.633SS**Hα-helixtrans-69.9-21.7175.579.90000114.2E18 L19 L20E18-S22 PolarHBondContact O-N 2.87Å; E18-S22 VanDerWaalsContact O-N 3.17Å; L19-S22 PolarHBondContact O-N 2.77Å; L19-S22 PolarHBondContact O-OG 3.48Å; L20-S22 PolarHBondContact O-N 3.2Å
23F83.4Confident81.5Confident146 Ų146115.3 Ų115.364%0.6462%0.624SS**THydrogen-bonded Turntrans-91.8-3.5175.5-70.8-69.4000113.5L19 L20 A21 I25L19-F23 HydrophobicContact CD2-CE2 4.05Å; L19-F23 HydrophobicContact CG-CE2 3.98Å; L19-F23 WeakPolarHBondContact O-CD2 3.46Å; L19-F23 PolarHBondContact O-N 3.48Å; L20-F23 PolarHBondContact O-N 3.19Å; A21-F23 VanDerWaalsContact C-N 3.28Å; A21-F23 PolarHBondContact O-N 3.29Å; F23-I25 PolarHBondContact O-N 3.33Å
24T81.1Confident82.6Confident96 Ų96111.5 Ų111.559%0.58961%0.608SS**  trans-68.7104.4175.1-17.50000108.6L20 A21 D26L20-T24 PolarHBondContact O-N 2.78Å; L20-T24 PolarHBondContact O-OG1 3.02Å; A21-T24 VanDerWaalsContact C-OG1 3.31Å; A21-T24 VanDerWaalsContact CA-OG1 3.32Å; A21-T24 WeakPolarHBondContact CA-OG1 3.25Å; A21-T24 PolarHBondContact O-N 2.6Å; A21-T24 PolarHBondContact O-OG1 3.17Å; T24-D26 PolarHBondContact O-N 3.37Å
25I82.9Confident83.6Confident141 Ų141109.5 Ų109.572%0.72360%0.596SS**  trans-76110.2173.3-59.9170.2000106.7F23 L27F23-I25 PolarHBondContact O-N 3.33Å; I25-L27 HydrophobicContact CG2-CG 4.45Å; I25-L27 PolarHBondContact O-N 3.34Å
26D78.4Confident84.2Confident153 Ų153109.1 Ų109.182%0.81859%0.59SS**  trans-6694.5172.2-72.5-29.3000109.5T24T24-D26 PolarHBondContact O-N 3.37Å
27L81.6Confident84.8Confident140 Ų140108.1 Ų108.173%0.73359%0.587SS**  trans-77129171.1-75.4126.3000108.6I25 D29I25-L27 HydrophobicContact CG2-CG 4.45Å; I25-L27 PolarHBondContact O-N 3.34Å; L27-D29 PolarHBondContact O-N 2.87Å
28P84.1Confident85.5Confident104 Ų104107.6 Ų107.668%0.67558%0.584SS**  trans-63.7125.6176.424.6-31.7000110.3E30P28-E30 PolarHBondContact O-N 2.77Å
29D81.5Confident86.1Confident162 Ų162107.5 Ų107.587%0.86658%0.577SS**SBendtrans-66.3-25.6175.7-79.5-28000112.3L27L27-D29 PolarHBondContact O-N 2.87Å
30E86.6Confident86.8Confident154 Ų154110.8 Ų110.872%0.7259%0.588SS**SBendtrans-96124.9179.9-66.8-164.4-174.800112.2P28 T32P28-E30 PolarHBondContact O-N 2.77Å; E30-T32 PolarHBondContact O-N 3.25Å
31H85.2Confident87.6Confident58 Ų58111.9 Ų111.927%0.26959%0.59SS.*PPolyproline II helixtrans-63.3132.9170.7-68.4-57000111.4E35 K36 R39H31-E35 HydrophobicContact CB-CB 4.03Å; H31-E35 IonicContact CE1-OE2 3.95Å; H31-E35 IonicContact CG-OE2 3.64Å; H31-E35 IonicContact ND1-OE2 2.85Å; H31-E35 PolarHBondContact ND1-OE2 3.3Å; H31-K36 HydrophobicContact CB-CG 3.74Å; H31-K36 WeakPolarHBondContact O-CE 3.48Å; H31-K36 PolarHBondContact O-NZ 2.9Å; H31-R39 PolarHBondContact CD2-NH1 3.49Å; H31-R39 VanDerWaalsContact CD2-NH1 3.3Å; H31-R39 PolarHBondContact CE1-NH2 3.26Å; H31-R39 PolarHBondContact NE2-NH1 2.95Å; H31-R39 PolarHBondContact NE2-NH2 3.39Å
32T89.8Confident88.3Confident66 Ų66113.5 Ų113.541%0.40559%0.59SS.*PPolyproline II helixtrans-57.6148.4168.661.80000109.8E30 P34 E35 K36E30-T32 PolarHBondContact O-N 3.25Å; T32-P34 VanDerWaalsContact C-CD 3.42Å; T32-P34 VanDerWaalsContact C-N 3.31Å; T32-P34 WeakPolarHBondContact OG1-CG 3.34Å; T32-E35 WeakPolarHBondContact O-CA 3.42Å; T32-E35 WeakPolarHBondContact O-CB 3.23Å; T32-E35 PolarHBondContact O-N 2.99Å; T32-E35 VanDerWaalsContact OG1-CG 3.24Å; T32-E35 WeakPolarHBondContact OG1-CG 3.14Å; T32-E35 PolarHBondContact OG1-OE1 3.48Å; T32-K36 PolarHBondContact O-N 3.44Å
33D92Very high89.1Confident125 Ų125114.7 Ų114.767%0.66859%0.589SS**Hα-helixtrans-50.3-40.9176.6-72.2-21.9000114.7E35 K36 S37D33-E35 VanDerWaalsContact C-N 3.35Å; D33-E35 PolarHBondContact O-N 3.09Å; D33-K36 PolarHBondContact O-N 2.97Å; D33-K36 IonicContact OD1-NZ 3.74Å; D33-S37 PolarHBondContact O-N 3.31Å
34P93Very high89.7Confident85 Ų85110.5 Ų110.555%0.55258%0.578SS**Hα-helixtrans-61.6-39.2172.522.7-34000112.9T32 S37 L38T32-P34 VanDerWaalsContact C-CD 3.42Å; T32-P34 VanDerWaalsContact C-N 3.31Å; T32-P34 WeakPolarHBondContact OG1-CG 3.34Å; P34-S37 WeakPolarHBondContact O-CB 3.08Å; P34-S37 PolarHBondContact O-N 3.04Å; P34-L38 WeakPolarHBondContact O-CB 3.39Å; P34-L38 WeakPolarHBondContact O-CD1 3.42Å; P34-L38 WeakPolarHBondContact O-CG 3.39Å; P34-L38 PolarHBondContact O-N 3.44Å
35E92.4Very high90.5Very high81 Ų81111 Ų11138%0.37958%0.576SS.*Hα-helixtrans-65.5-40.2175.3-74.6166.3-140.400112.5H31 T32 D33 S37 L38 R39H31-E35 HydrophobicContact CB-CB 4.03Å; H31-E35 IonicContact CE1-OE2 3.95Å; H31-E35 IonicContact CG-OE2 3.64Å; H31-E35 IonicContact ND1-OE2 2.85Å; H31-E35 PolarHBondContact ND1-OE2 3.3Å; T32-E35 WeakPolarHBondContact O-CA 3.42Å; T32-E35 WeakPolarHBondContact O-CB 3.23Å; T32-E35 PolarHBondContact O-N 2.99Å; T32-E35 VanDerWaalsContact OG1-CG 3.24Å; T32-E35 WeakPolarHBondContact OG1-CG 3.14Å; T32-E35 PolarHBondContact OG1-OE1 3.48Å; D33-E35 VanDerWaalsContact C-N 3.35Å; D33-E35 PolarHBondContact O-N 3.09Å; E35-S37 VanDerWaalsContact C-N 3.29Å; E35-S37 PolarHBondContact O-N 3.01Å; E35-L38 PolarHBondContact O-N 3.43Å; E35-R39 WeakPolarHBondContact O-CG 3.32Å; E35-R39 PolarHBondContact O-N 3.06Å
36K92.2Very high91.1Very high87 Ų87109.7 Ų109.738%0.37857%0.565SS.*Hα-helixtrans-60.5-41.5174.3-70.6173.4178.1152.30110.8H31 T32 D33 R39 K40H31-K36 HydrophobicContact CB-CG 3.74Å; H31-K36 WeakPolarHBondContact O-CE 3.48Å; H31-K36 PolarHBondContact O-NZ 2.9Å; T32-K36 PolarHBondContact O-N 3.44Å; D33-K36 PolarHBondContact O-N 2.97Å; D33-K36 IonicContact OD1-NZ 3.74Å; K36-R39 PolarHBondContact O-N 3.04Å; K36-K40 WeakPolarHBondContact O-CG 3.2Å; K36-K40 PolarHBondContact O-N 3.1Å
37S94.2Very high92Very high72 Ų72108.8 Ų108.850%0.50356%0.556SS.*Hα-helixtrans-63.9-48.5175.4-166.90000111.8D33 P34 E35 R39 K40 E41D33-S37 PolarHBondContact O-N 3.31Å; P34-S37 WeakPolarHBondContact O-CB 3.08Å; P34-S37 PolarHBondContact O-N 3.04Å; E35-S37 VanDerWaalsContact C-N 3.29Å; E35-S37 PolarHBondContact O-N 3.01Å; S37-R39 VanDerWaalsContact C-N 3.29Å; S37-R39 PolarHBondContact O-N 3.35Å; S37-K40 WeakPolarHBondContact O-CB 3.45Å; S37-K40 PolarHBondContact O-N 3.07Å; S37-E41 PolarHBondContact O-N 3.22Å
38L95.9Very high92.7Very high108 Ų108106.8 Ų106.857%0.56554%0.544SS*.Hα-helixtrans-57-40.7176.4-82.2156.6000112.2P34 E35 K40 E41 L42P34-L38 WeakPolarHBondContact O-CB 3.39Å; P34-L38 WeakPolarHBondContact O-CD1 3.42Å; P34-L38 WeakPolarHBondContact O-CG 3.39Å; P34-L38 PolarHBondContact O-N 3.44Å; E35-L38 PolarHBondContact O-N 3.43Å; L38-K40 PolarHBondContact O-N 3.41Å; L38-E41 PolarHBondContact O-N 3.27Å; L38-L42 WeakPolarHBondContact O-CB 3.4Å; L38-L42 PolarHBondContact O-N 3.31Å
39R92.4Very high93.2Very high142 Ų142110.8 Ų110.854%0.53655%0.546SS..Hα-helixtrans-63.8-40175.8-77.4-175.8170.2-1631.2112.5H31 E35 K36 S37 L42 L43H31-R39 PolarHBondContact CD2-NH1 3.49Å; H31-R39 VanDerWaalsContact CD2-NH1 3.3Å; H31-R39 PolarHBondContact CE1-NH2 3.26Å; H31-R39 PolarHBondContact NE2-NH1 2.95Å; H31-R39 PolarHBondContact NE2-NH2 3.39Å; E35-R39 WeakPolarHBondContact O-CG 3.32Å; E35-R39 PolarHBondContact O-N 3.06Å; K36-R39 PolarHBondContact O-N 3.04Å; S37-R39 VanDerWaalsContact C-N 3.29Å; S37-R39 PolarHBondContact O-N 3.35Å; R39-L42 PolarHBondContact O-N 3.21Å; R39-L43 WeakPolarHBondContact O-CG 3.4Å; R39-L43 PolarHBondContact O-N 3.48Å
40K95.2Very high93.8Very high156 Ų156111.6 Ų111.668%0.67854%0.537SS*.Hα-helixtrans-64-44.3175.4-70.5175.4-179.2178.80111.3K36 S37 L38 L43 S44K36-K40 WeakPolarHBondContact O-CG 3.2Å; K36-K40 PolarHBondContact O-N 3.1Å; S37-K40 WeakPolarHBondContact O-CB 3.45Å; S37-K40 PolarHBondContact O-N 3.07Å; L38-K40 PolarHBondContact O-N 3.41Å; K40-L43 PolarHBondContact O-N 3.41Å; K40-S44 PolarHBondContact O-N 3.42Å
41E96.3Very high94.1Very high125 Ų125107.5 Ų107.558%0.58452%0.522SS*.Hα-helixtrans-63.6-42.7177-169.7178.4174.700111.7S37 L38 L43 S44 L45S37-E41 PolarHBondContact O-N 3.22Å; L38-E41 PolarHBondContact O-N 3.27Å; E41-L43 VanDerWaalsContact C-N 3.31Å; E41-L43 PolarHBondContact O-N 2.89Å; E41-S44 WeakPolarHBondContact O-CB 3.5Å; E41-S44 PolarHBondContact O-N 2.93Å; E41-L45 WeakPolarHBondContact O-CB 3.31Å; E41-L45 PolarHBondContact O-N 3.16Å
42L96.9Very high94.6Very high95 Ų95110.2 Ų110.250%0.49754%0.538SS..Hα-helixtrans-61.6-38.2176.4-170.2113.9000112.2L38 R39 L45 K46L38-L42 WeakPolarHBondContact O-CB 3.4Å; L38-L42 PolarHBondContact O-N 3.31Å; R39-L42 PolarHBondContact O-N 3.21Å; L42-L45 PolarHBondContact O-N 2.87Å; L42-K46 HydrophobicContact CD2-CD 4.25Å; L42-K46 WeakPolarHBondContact O-CB 3.45Å; L42-K46 WeakPolarHBondContact O-CG 3.3Å; L42-K46 PolarHBondContact O-N 3.21Å
43L96Very high94.8Very high113 Ų113110 Ų11059%0.59254%0.537SS*.Hα-helixtrans-65.2-44.7173.9-73.5171.7000111.6R39 K40 E41 L45 K46 Q47R39-L43 WeakPolarHBondContact O-CG 3.4Å; R39-L43 PolarHBondContact O-N 3.48Å; K40-L43 PolarHBondContact O-N 3.41Å; E41-L43 VanDerWaalsContact C-N 3.31Å; E41-L43 PolarHBondContact O-N 2.89Å; L43-L45 VanDerWaalsContact C-N 3.34Å; L43-L45 PolarHBondContact O-N 3.48Å; L43-K46 PolarHBondContact O-N 2.98Å; L43-Q47 PolarHBondContact O-N 3.34Å
44S96.5Very high94.7Very high57 Ų57109.1 Ų109.140%0.39953%0.532SS..Hα-helixtrans-59.1-44.6174.3-179.60000111.7K40 E41 K46 Q47 M48K40-S44 PolarHBondContact O-N 3.42Å; E41-S44 WeakPolarHBondContact O-CB 3.5Å; E41-S44 PolarHBondContact O-N 2.93Å; S44-K46 PolarHBondContact O-N 3.02Å; S44-Q47 WeakPolarHBondContact O-CB 3.48Å; S44-Q47 PolarHBondContact O-N 3.46Å; S44-Q47 VanDerWaalsContact O-N 3.13Å; S44-M48 PolarHBondContact O-N 2.94Å
45L96.7Very high94.7Very high106 Ų106109.8 Ų109.856%0.55553%0.53SS*.Hα-helixtrans-66.4-37.3178.8-161.7123.5000112.3E41 L42 L43 Q47 M48 R49E41-L45 WeakPolarHBondContact O-CB 3.31Å; E41-L45 PolarHBondContact O-N 3.16Å; L42-L45 PolarHBondContact O-N 2.87Å; L43-L45 VanDerWaalsContact C-N 3.34Å; L43-L45 PolarHBondContact O-N 3.48Å; L45-Q47 VanDerWaalsContact C-N 3.34Å; L45-M48 PolarHBondContact O-N 2.75Å; L45-R49 WeakPolarHBondContact O-CB 3.27Å; L45-R49 PolarHBondContact O-N 3.2Å
46K96.8Very high94.6Very high115 Ų115110.9 Ų110.950%0.554%0.538SS..Hα-helixtrans-63.3-39.2171.2-79177.5175.9178.60111.9L42 L43 S44 R50L42-K46 HydrophobicContact CD2-CD 4.25Å; L42-K46 WeakPolarHBondContact O-CB 3.45Å; L42-K46 WeakPolarHBondContact O-CG 3.3Å; L42-K46 PolarHBondContact O-N 3.21Å; L43-K46 PolarHBondContact O-N 2.98Å; S44-K46 PolarHBondContact O-N 3.02Å; K46-R50 WeakPolarHBondContact O-CG 3.42Å; K46-R50 PolarHBondContact O-N 3.4Å
47Q96.5Very high94.4Very high133 Ų133112.7 Ų112.762%0.62155%0.548SS*.Hα-helixtrans-65.1-48.2175.3-175.3177.2-2.300111.3L43 S44 L45 R49 R50 T51L43-Q47 PolarHBondContact O-N 3.34Å; S44-Q47 WeakPolarHBondContact O-CB 3.48Å; S44-Q47 PolarHBondContact O-N 3.46Å; S44-Q47 VanDerWaalsContact O-N 3.13Å; L45-Q47 VanDerWaalsContact C-N 3.34Å; Q47-R49 VanDerWaalsContact C-N 3.33Å; Q47-R49 PolarHBondContact O-N 3.24Å; Q47-R50 WeakPolarHBondContact O-CB 3.33Å; Q47-R50 PolarHBondContact O-N 3.2Å; Q47-R50 VanDerWaalsContact O-N 3.16Å; Q47-T51 PolarHBondContact O-N 2.87Å; Q47-T51 VanDerWaalsContact O-N 3.1Å
48M96.1Very high94.1Very high99 Ų99113.9 Ų113.949%0.48855%0.546SS..Hα-helixtrans-59.7-42176-73.3-172.6-7400112.1S44 L45 R50 T51 L52S44-M48 PolarHBondContact O-N 2.94Å; L45-M48 PolarHBondContact O-N 2.75Å; M48-R50 VanDerWaalsContact C-N 3.3Å; M48-R50 PolarHBondContact O-N 2.99Å; M48-T51 WeakPolarHBondContact CA-OG1 3.38Å; M48-T51 PolarHBondContact O-N 3.26Å; M48-T51 VanDerWaalsContact O-N 3.15Å; M48-T51 PolarHBondContact O-OG1 3.47Å; M48-L52 PolarHBondContact O-N 3.41Å
49R95.6Very high93.5Very high187 Ų187112.3 Ų112.371%0.70654%0.541SS*.Hα-helixtrans-57.6-41.9175.8-176.8177.7173.5-175.8-2.1112.1L45 Q47 L52 T53L45-R49 WeakPolarHBondContact O-CB 3.27Å; L45-R49 PolarHBondContact O-N 3.2Å; Q47-R49 VanDerWaalsContact C-N 3.33Å; Q47-R49 PolarHBondContact O-N 3.24Å; R49-L52 PolarHBondContact O-N 2.94Å; R49-T53 WeakPolarHBondContact O-CG2 3.36Å; R49-T53 PolarHBondContact O-N 3.34Å; R49-T53 VanDerWaalsContact O-N 3.08Å; R49-T53 PolarHBondContact O-OG1 2.89Å
50R93.9Very high93Very high179 Ų179110.6 Ų110.668%0.67554%0.537SS*.Hα-helixtrans-62.5-45.7175.3-69.9174.9-177.9171.9-0.1111.6K46 Q47 M48 L52 T53 D54K46-R50 WeakPolarHBondContact O-CG 3.42Å; K46-R50 PolarHBondContact O-N 3.4Å; Q47-R50 WeakPolarHBondContact O-CB 3.33Å; Q47-R50 PolarHBondContact O-N 3.2Å; Q47-R50 VanDerWaalsContact O-N 3.16Å; M48-R50 VanDerWaalsContact C-N 3.3Å; M48-R50 PolarHBondContact O-N 2.99Å; R50-L52 VanDerWaalsContact C-N 3.34Å; R50-L52 PolarHBondContact O-N 3.48Å; R50-T53 WeakPolarHBondContact CA-OG1 3.48Å; R50-T53 PolarHBondContact O-N 2.94Å; R50-T53 PolarHBondContact O-OG1 2.77Å; R50-D54 PolarHBondContact O-N 2.86Å
51T93.5Very high92.1Very high68 Ų68108.3 Ų108.342%0.41753%0.527SS..Hα-helixtrans-62.9-38.8178.561.10000112.9Q47 M48 D54 I55Q47-T51 PolarHBondContact O-N 2.87Å; Q47-T51 VanDerWaalsContact O-N 3.1Å; M48-T51 WeakPolarHBondContact CA-OG1 3.38Å; M48-T51 PolarHBondContact O-N 3.26Å; M48-T51 VanDerWaalsContact O-N 3.15Å; M48-T51 PolarHBondContact O-OG1 3.47Å; T51-D54 PolarHBondContact O-N 2.75Å; T51-I55 WeakPolarHBondContact O-CG1 3.46Å; T51-I55 PolarHBondContact O-N 3.47Å
52L95.1Very high90.5Very high115 Ų115105.1 Ų105.160%0.60252%0.518SS*.Hα-helixtrans-68-37.5177.2-72.1175.2000112.1M48 R49 R50 D54 I55 D56M48-L52 PolarHBondContact O-N 3.41Å; R49-L52 PolarHBondContact O-N 2.94Å; R50-L52 VanDerWaalsContact C-N 3.34Å; R50-L52 PolarHBondContact O-N 3.48Å; L52-D54 VanDerWaalsContact C-N 3.34Å; L52-I55 PolarHBondContact O-N 2.72Å; L52-D56 WeakPolarHBondContact O-CB 3.25Å; L52-D56 PolarHBondContact O-N 3.09Å
53T93Very high88.7Confident62 Ų62106.3 Ų106.338%0.3852%0.521SS..Hα-helixtrans-65.3-38.3174.347.50000112R49 R50 D56 H57R49-T53 WeakPolarHBondContact O-CG2 3.36Å; R49-T53 PolarHBondContact O-N 3.34Å; R49-T53 VanDerWaalsContact O-N 3.08Å; R49-T53 PolarHBondContact O-OG1 2.89Å; R50-T53 WeakPolarHBondContact CA-OG1 3.48Å; R50-T53 PolarHBondContact O-N 2.94Å; R50-T53 PolarHBondContact O-OG1 2.77Å; T53-D56 PolarHBondContact O-N 2.84Å; T53-H57 PolarHBondContact O-CD2 3.12Å; T53-H57 PolarHBondContact O-N 3.27Å
54D91.3Very high87Confident106 Ų106109.1 Ų109.157%0.56752%0.524SS*.Hα-helixtrans-65.1-41.4176.6-65.6-19.9000111.5R50 T51 L52 H57 E58R50-D54 PolarHBondContact O-N 2.86Å; T51-D54 PolarHBondContact O-N 2.75Å; L52-D54 VanDerWaalsContact C-N 3.34Å; D54-H57 PolarHBondContact O-N 3.28Å; D54-E58 PolarHBondContact O-N 3.47Å
55I92Very high85Confident100 Ų100113.3 Ų113.351%0.51354%0.535SS..Hα-helixtrans-63.6-45.5174.6-66.7166.3000111T51 L52 H57 E58 V59T51-I55 WeakPolarHBondContact O-CG1 3.46Å; T51-I55 PolarHBondContact O-N 3.47Å; L52-I55 PolarHBondContact O-N 2.72Å; I55-H57 VanDerWaalsContact C-N 3.3Å; I55-H57 PolarHBondContact O-N 2.81Å; I55-E58 PolarHBondContact O-N 2.82Å; I55-E58 VanDerWaalsContact O-N 3.15Å; I55-V59 HydrophobicContact CG2-CG2 4.21Å; I55-V59 WeakPolarHBondContact O-CG2 3.3Å; I55-V59 PolarHBondContact O-N 3.03Å
56D91.6Very high82.9Confident103 Ų103113.4 Ų113.455%0.55153%0.532SS*.Hα-helixtrans-60.7-40.7178.5-171.359.5000111.6L52 T53 K60L52-D56 WeakPolarHBondContact O-CB 3.25Å; L52-D56 PolarHBondContact O-N 3.09Å; T53-D56 PolarHBondContact O-N 2.84Å; D56-K60 VanDerWaalsContact O-CB 3.31Å; D56-K60 WeakPolarHBondContact O-CB 3.32Å; D56-K60 PolarHBondContact O-N 3.15Å
57H87.4Confident80.8Confident126 Ų126114.5 Ų114.558%0.58354%0.539SS*.Hα-helixtrans-63.9-40.8173.3-78.1-60.2000112.8T53 D54 I55 K61T53-H57 PolarHBondContact O-CD2 3.12Å; T53-H57 PolarHBondContact O-N 3.27Å; D54-H57 PolarHBondContact O-N 3.28Å; I55-H57 VanDerWaalsContact C-N 3.3Å; I55-H57 PolarHBondContact O-N 2.81Å; H57-K61 WeakPolarHBondContact O-CB 3.1Å; H57-K61 PolarHBondContact O-N 2.82Å
58E86.7Confident78.7Confident97 Ų97117.5 Ų117.545%0.45355%0.55SS.*Hα-helixtrans-69.8-40.4177.5-167.360.2-144.900111.9D54 I55 K60 K61 C62D54-E58 PolarHBondContact O-N 3.47Å; I55-E58 PolarHBondContact O-N 2.82Å; I55-E58 VanDerWaalsContact O-N 3.15Å; E58-K60 PolarHBondContact O-N 2.98Å; E58-K61 WeakPolarHBondContact O-CB 3.27Å; E58-K61 PolarHBondContact O-N 3.28Å; E58-K61 VanDerWaalsContact O-N 3.15Å; E58-K61 IonicContact OE2-NZ 3.92Å; E58-C62 PolarHBondContact O-N 3.06Å; E58-C62 PolarHBondContact O-SG 3.26Å
59V83.4Confident76.5Confident75 Ų75115.6 Ų115.646%0.45555%0.547SS..Hα-helixtrans-59.6-47.3173.8171.30000110.3I55 K61 C62 E63I55-V59 HydrophobicContact CG2-CG2 4.21Å; I55-V59 WeakPolarHBondContact O-CG2 3.3Å; I55-V59 PolarHBondContact O-N 3.03Å; V59-K61 PolarHBondContact O-N 3.49Å; V59-C62 PolarHBondContact O-N 3.31Å; V59-C62 VanDerWaalsContact O-N 3.12Å; V59-E63 PolarHBondContact O-N 3.35Å
60K81.8Confident74.5Confident105 Ų105115.6 Ų115.646%0.45755%0.547SS..Hα-helixtrans-64-28.4177.3-167.6171.6-170.5167.80113.2D56 E58D56-K60 VanDerWaalsContact O-CB 3.31Å; D56-K60 WeakPolarHBondContact O-CB 3.32Å; D56-K60 PolarHBondContact O-N 3.15Å; E58-K60 PolarHBondContact O-N 2.98Å
61K77.3Confident72.5Confident109 Ų109111.8 Ų111.847%0.47455%0.553SS.*Hα-helixtrans-75.8-37.1174-172.9-177175.1-1680111.7H57 E58 V59 K65H57-K61 WeakPolarHBondContact O-CB 3.1Å; H57-K61 PolarHBondContact O-N 2.82Å; E58-K61 WeakPolarHBondContact O-CB 3.27Å; E58-K61 PolarHBondContact O-N 3.28Å; E58-K61 VanDerWaalsContact O-N 3.15Å; E58-K61 IonicContact OE2-NZ 3.92Å; V59-K61 PolarHBondContact O-N 3.49Å; K61-K65 PolarHBondContact O-N 2.99Å
62C61.7Low70.6Confident58 Ų58114.1 Ų114.139%0.39256%0.561SS.*Hα-helixtrans-67.2-42174-74.90000112.3E58 V59 R64 K65 E66E58-C62 PolarHBondContact O-N 3.06Å; E58-C62 PolarHBondContact O-SG 3.26Å; V59-C62 PolarHBondContact O-N 3.31Å; V59-C62 VanDerWaalsContact O-N 3.12Å; C62-R64 VanDerWaalsContact C-N 3.27Å; C62-R64 PolarHBondContact O-N 3.43Å; C62-K65 WeakPolarHBondContact O-CA 3.16Å; C62-K65 WeakPolarHBondContact O-CB 3.45Å; C62-K65 PolarHBondContact O-N 3.35Å; C62-E66 PolarHBondContact O-N 3.4Å
63E60.8Low68.9Low120 Ų120116.4 Ų116.456%0.56157%0.566SS**Hα-helixtrans-58.6-38.5176.9-73.4-175.5158.200112.4V59 K65 E66 E67V59-E63 PolarHBondContact O-N 3.35Å; E63-K65 PolarHBondContact O-N 2.87Å; E63-E66 PolarHBondContact O-N 2.87Å; E63-E67 PolarHBondContact O-N 2.88Å
64R58.8Low67.7Low171 Ų171119.2 Ų119.265%0.64559%0.585SS**Hα-helixtrans-69.9-19.4175.9-70.8179.3-178.8158.9-2113.8C62C62-R64 VanDerWaalsContact C-N 3.27Å; C62-R64 PolarHBondContact O-N 3.43Å
65K56.2Low66.6Low146 Ų146124.7 Ų124.764%0.63560%0.598SS**Hα-helixtrans-87.3-30.3172.6-70.5-176.7178-179.50111.8K61 C62 E63 K68K61-K65 PolarHBondContact O-N 2.99Å; C62-K65 WeakPolarHBondContact O-CA 3.16Å; C62-K65 WeakPolarHBondContact O-CB 3.45Å; C62-K65 PolarHBondContact O-N 3.35Å; E63-K65 PolarHBondContact O-N 2.87Å; K65-K68 PolarHBondContact O-N 3.38Å
66E51.7Low65.8Low107 Ų107124.1 Ų124.150%0.559%0.593SS.*Hα-helixtrans-71.8-28.3175.5-74.1-172176.900113.5C62 E63 K68 S69 R70C62-E66 PolarHBondContact O-N 3.4Å; E63-E66 PolarHBondContact O-N 2.87Å; E66-K68 PolarHBondContact O-N 2.78Å; E66-S69 PolarHBondContact O-N 2.96Å; E66-S69 PolarHBondContact O-OG 3.26Å; E66-R70 WeakPolarHBondContact O-CG 3.33Å; E66-R70 PolarHBondContact O-N 2.82Å
67E52.1Low65.1Low139 Ų139126.8 Ų126.865%0.6560%0.6SS**THydrogen-bonded Turntrans-67.5-18.9175.6-74.5-172.4155.200113.7E63E63-E67 PolarHBondContact O-N 2.88Å
68K52.2Low64.8Low195 Ų195123.6 Ų123.685%0.84860%0.595SS**THydrogen-bonded Turntrans-93.2-7.9174.3-69.3-175.5179.7-178.20114.4K65 E66K65-K68 PolarHBondContact O-N 3.38Å; E66-K68 PolarHBondContact O-N 2.78Å
69S50.3Low64.9Low60 Ų60126 Ų12642%0.4260%0.604SS.*THydrogen-bonded Turntrans-104.2-3.5175.661.60000114.1E66 A71 M72E66-S69 PolarHBondContact O-N 2.96Å; E66-S69 PolarHBondContact O-OG 3.26Å; S69-A71 PolarHBondContact O-N 3.15Å; S69-M72 WeakPolarHBondContact O-CB 3.47Å; S69-M72 PolarHBondContact O-N 2.81Å
70R54.6Low65Low187 Ų187129.2 Ų129.271%0.70661%0.614SS**THydrogen-bonded Turntrans-65.5-0176.7-76.1177.4-173.8-174.84.5115.6E66E66-R70 WeakPolarHBondContact O-CG 3.33Å; E66-R70 PolarHBondContact O-N 2.82Å
71A51.4Low65.2Low98 Ų98130.2 Ų130.281%0.8162%0.621SS**THydrogen-bonded Turntrans-90.85.1169.400000113.7S69S69-A71 PolarHBondContact O-N 3.15Å
72M53.7Low65.8Low118 Ų118127.1 Ų127.158%0.58162%0.615SS**SBendtrans-75.4133.6174.5-85.2-172.1139.700111.6S69 E76S69-M72 WeakPolarHBondContact O-CB 3.47Å; S69-M72 PolarHBondContact O-N 2.81Å; M72-E76 HydrophobicContact CB-CB 4.43Å; M72-E76 WeakPolarHBondContact CB-OE2 3.16Å; M72-E76 VanDerWaalsContact CE-OE1 3.29Å; M72-E76 WeakPolarHBondContact CE-OE1 3.31Å; M72-E76 VanDerWaalsContact CE-OE2 3.32Å; M72-E76 WeakPolarHBondContact CE-OE2 3.29Å; M72-E76 WeakPolarHBondContact CG-OE2 3.43Å; M72-E76 VanDerWaalsContact SD-OE2 3.32Å
73K59.8Low67.2Low163 Ų163128.9 Ų128.971%0.70962%0.619SS**  trans-55.8145.4-171-66.8168.2-178.9172.30109.7R75 E76K73-R75 PolarHBondContact O-N 3.09Å; K73-E76 PolarHBondContact O-N 3.34Å
74P67.9Low68.7Low120 Ų120130.5 Ų130.578%0.77962%0.624SS**Hα-helixtrans-51.8-18.9-176.315.7-29.6000115
75R67.6Low70.4Confident221 Ų221125.4 Ų125.483%0.83461%0.609SS**Hα-helixtrans-66.4-32.3173.5-169.5174.3174174.4-2.2114.5K73 K79K73-R75 PolarHBondContact O-N 3.09Å; R75-K79 PolarHBondContact O-N 2.94Å
76E73.9Confident72.1Confident89 Ų89122 Ų12242%0.41660%0.598SS.*Hα-helixtrans-77.7-37.6-178.9-82.9170.6145.300112.2M72 K73 A78 K79 E80M72-E76 HydrophobicContact CB-CB 4.43Å; M72-E76 WeakPolarHBondContact CB-OE2 3.16Å; M72-E76 VanDerWaalsContact CE-OE1 3.29Å; M72-E76 WeakPolarHBondContact CE-OE1 3.31Å; M72-E76 VanDerWaalsContact CE-OE2 3.32Å; M72-E76 WeakPolarHBondContact CE-OE2 3.29Å; M72-E76 WeakPolarHBondContact CG-OE2 3.43Å; M72-E76 VanDerWaalsContact SD-OE2 3.32Å; K73-E76 PolarHBondContact O-N 3.34Å; E76-A78 VanDerWaalsContact C-N 3.33Å; E76-A78 PolarHBondContact O-N 3.09Å; E76-K79 WeakPolarHBondContact O-CB 3.39Å; E76-K79 PolarHBondContact O-N 3.36Å; E76-K79 VanDerWaalsContact O-N 3.07Å; E76-E80 PolarHBondContact O-N 3.41Å
77K77.2Confident74Confident159 Ų159125.1 Ų125.169%0.69161%0.609SS**Hα-helixtrans-62.2-40.9177.4-159.2176.9-175.8-174.40112.2K79 E80 E81K77-K79 VanDerWaalsContact C-N 3.3Å; K77-K79 PolarHBondContact O-N 3.15Å; K77-E80 PolarHBondContact O-N 3.42Å; K77-E81 PolarHBondContact O-N 3.06Å
78A82.3Confident76Confident59 Ų59122.3 Ų122.349%0.48861%0.605SS.*Hα-helixtrans-64.4-34.2174.400000112.6E76 A82E76-A78 VanDerWaalsContact C-N 3.33Å; E76-A78 PolarHBondContact O-N 3.09Å; A78-A82 VanDerWaalsContact O-CB 3.25Å; A78-A82 WeakPolarHBondContact O-CB 3.3Å; A78-A82 PolarHBondContact O-N 3.42Å
79K88.3Confident77.8Confident148 Ų148115.9 Ų115.964%0.64359%0.594SS**Hα-helixtrans-69.3-40.1176.9-171.6-177.9177.8-174.30111.5R75 E76 K77 M83R75-K79 PolarHBondContact O-N 2.94Å; E76-K79 WeakPolarHBondContact O-CB 3.39Å; E76-K79 PolarHBondContact O-N 3.36Å; E76-K79 VanDerWaalsContact O-N 3.07Å; K77-K79 VanDerWaalsContact C-N 3.3Å; K77-K79 PolarHBondContact O-N 3.15Å; K79-M83 WeakPolarHBondContact O-CB 3.38Å; K79-M83 VanDerWaalsContact O-CG 3.23Å; K79-M83 WeakPolarHBondContact O-CG 3.33Å; K79-M83 PolarHBondContact O-N 3.4Å
80E84.8Confident79.7Confident141 Ų141116.3 Ų116.366%0.65960%0.601SS**Hα-helixtrans-67.4-42.9177.5-171.5177.6-178.700111.8E76 K77 M83 K84E76-E80 PolarHBondContact O-N 3.41Å; K77-E80 PolarHBondContact O-N 3.42Å; E80-M83 PolarHBondContact O-N 2.92Å; E80-K84 WeakPolarHBondContact O-CB 3.33Å; E80-K84 PolarHBondContact O-N 3.5Å
81E87.6Confident81.2Confident127 Ų127111.2 Ų111.259%0.59359%0.587SS**Hα-helixtrans-63.9-43.9175.3-167.9174.6179.100111.7K77 M83 K84 L85K77-E81 PolarHBondContact O-N 3.06Å; E81-M83 PolarHBondContact O-N 3.35Å; E81-K84 WeakPolarHBondContact O-CB 3.38Å; E81-K84 PolarHBondContact O-N 2.99Å; E81-K84 VanDerWaalsContact O-N 3.16Å; E81-L85 WeakPolarHBondContact O-CG 3.33Å; E81-L85 PolarHBondContact O-N 3.39Å
82A88.8Confident82.8Confident44 Ų44111.4 Ų111.436%0.36458%0.583SS.*Hα-helixtrans-61.8-42174.100000112.3A78 K84 L85 L86A78-A82 VanDerWaalsContact O-CB 3.25Å; A78-A82 WeakPolarHBondContact O-CB 3.3Å; A78-A82 PolarHBondContact O-N 3.42Å; A82-K84 VanDerWaalsContact C-N 3.3Å; A82-K84 PolarHBondContact O-N 3.04Å; A82-L85 PolarHBondContact O-N 2.98Å; A82-L86 WeakPolarHBondContact O-CG 3.32Å; A82-L86 PolarHBondContact O-N 3.48Å
83M92.2Very high84.2Confident94 Ų94111.2 Ų111.246%0.46358%0.583SS.*Hα-helixtrans-63.1-36.1174.2-79.1-111.8-71.100112.1K79 E80 E81 L86 K87K79-M83 WeakPolarHBondContact O-CB 3.38Å; K79-M83 VanDerWaalsContact O-CG 3.23Å; K79-M83 WeakPolarHBondContact O-CG 3.33Å; K79-M83 PolarHBondContact O-N 3.4Å; E80-M83 PolarHBondContact O-N 2.92Å; E81-M83 PolarHBondContact O-N 3.35Å; M83-L86 PolarHBondContact O-N 2.92Å; M83-K87 WeakPolarHBondContact O-CB 3.41Å; M83-K87 VanDerWaalsContact O-CG 3.31Å; M83-K87 WeakPolarHBondContact O-CG 3.45Å; M83-K87 PolarHBondContact O-N 3.11Å
84K92.1Very high85.3Confident154 Ų154109.6 Ų109.667%0.6758%0.578SS**Hα-helixtrans-65.3-42.3176.1-170.2176-179.11790111.3E80 E81 A82 K87 S88E80-K84 WeakPolarHBondContact O-CB 3.33Å; E80-K84 PolarHBondContact O-N 3.5Å; E81-K84 WeakPolarHBondContact O-CB 3.38Å; E81-K84 PolarHBondContact O-N 2.99Å; E81-K84 VanDerWaalsContact O-N 3.16Å; A82-K84 VanDerWaalsContact C-N 3.3Å; A82-K84 PolarHBondContact O-N 3.04Å; K84-K87 PolarHBondContact O-N 3.36Å; K84-S88 WeakPolarHBondContact O-CB 3.3Å; K84-S88 PolarHBondContact O-N 2.98Å; K84-S88 PolarHBondContact O-OG 3.44Å
85L94Very high85.8Confident65 Ų65110.8 Ų110.834%0.3458%0.578SS.*Hα-helixtrans-68.7-34.3177.5-66.6173000112.9E81 A82 S88 G89 A90 I91E81-L85 WeakPolarHBondContact O-CG 3.33Å; E81-L85 PolarHBondContact O-N 3.39Å; A82-L85 PolarHBondContact O-N 2.98Å; L85-S88 PolarHBondContact O-OG 3.03Å; L85-G89 PolarHBondContact O-N 3.07Å; L85-A90 HydrophobicContact CB-CB 4.4Å; L85-A90 HydrophobicContact CD2-CB 3.87Å; L85-A90 PolarHBondContact O-N 3.43Å; L85-I91 HydrophobicContact CB-CB 4.47Å; L85-I91 HydrophobicContact CB-CD1 3.65Å; L85-I91 HydrophobicContact CB-CG1 3.92Å; L85-I91 HydrophobicContact CD1-CD1 3.7Å; L85-I91 HydrophobicContact CD1-CG1 4.49Å; L85-I91 HydrophobicContact CG-CD1 4.3Å; L85-I91 PolarHBondContact O-N 3.14Å; L85-I91 VanDerWaalsContact O-N 3.09Å
86L91.4Very high85.9Confident74 Ų74106.1 Ų106.139%0.38756%0.563SS.*Hα-helixtrans-65.7-46.8170.5-76.8160.2000111.5A82 M83 S88 G89 I91 I93A82-L86 WeakPolarHBondContact O-CG 3.32Å; A82-L86 PolarHBondContact O-N 3.48Å; M83-L86 PolarHBondContact O-N 2.92Å; L86-S88 PolarHBondContact O-N 3.47Å; L86-G89 PolarHBondContact O-N 2.83Å; L86-I91 HydrophobicContact CD2-CG2 4.47Å; L86-I93 HydrophobicContact CD1-CD1 4.26Å; L86-I93 HydrophobicContact CD2-CD1 3.47Å; L86-I93 VanDerWaalsContact CD2-CD1 3.47Å; L86-I93 HydrophobicContact CD2-CG1 3.66Å
87K92.7Very high85.6Confident172 Ų172109.4 Ų109.475%0.74858%0.584SS**Hα-helixtrans-66.5-34.8179.5-76.4179179.3-175.60113.1M83 K84 G89M83-K87 WeakPolarHBondContact O-CB 3.41Å; M83-K87 VanDerWaalsContact O-CG 3.31Å; M83-K87 WeakPolarHBondContact O-CG 3.45Å; M83-K87 PolarHBondContact O-N 3.11Å; K84-K87 PolarHBondContact O-N 3.36Å; K87-G89 PolarHBondContact O-N 3.22Å
88S93Very high85.1Confident81 Ų81108.8 Ų108.857%0.56658%0.583SS**THydrogen-bonded Turntrans-79.1-2.9177.6710000113.3K84 L85 L86 A90K84-S88 WeakPolarHBondContact O-CB 3.3Å; K84-S88 PolarHBondContact O-N 2.98Å; K84-S88 PolarHBondContact O-OG 3.44Å; L85-S88 PolarHBondContact O-OG 3.03Å; L86-S88 PolarHBondContact O-N 3.47Å; S88-A90 PolarHBondContact O-N 2.99Å; S88-A90 WeakPolarHBondContact OG-CB 3.45Å; S88-A90 PolarHBondContact OG-N 2.84Å
89G89.5Confident84.3Confident59 Ų59116.7 Ų116.761%0.60860%0.601SS**THydrogen-bonded Turntrans68.412.1-174.200000114L85 L86 K87 I91L85-G89 PolarHBondContact O-N 3.07Å; L86-G89 PolarHBondContact O-N 2.83Å; K87-G89 PolarHBondContact O-N 3.22Å; G89-I91 VanDerWaalsContact C-N 3.29Å
90A91.3Very high83.2Confident69 Ų69117.2 Ų117.257%0.5761%0.605SS**SBendtrans-72.5-27.8177.600000111.7L85 S88L85-A90 HydrophobicContact CB-CB 4.4Å; L85-A90 HydrophobicContact CD2-CB 3.87Å; L85-A90 PolarHBondContact O-N 3.43Å; S88-A90 PolarHBondContact O-N 2.99Å; S88-A90 WeakPolarHBondContact OG-CB 3.45Å; S88-A90 PolarHBondContact OG-N 2.84Å
91I85.5Confident82Confident81 Ų81114.8 Ų114.842%0.41560%0.6SS.*SBendtrans-121.7124.7169.5-60.1172.8000107.3L85 L86 G89L85-I91 HydrophobicContact CB-CB 4.47Å; L85-I91 HydrophobicContact CB-CD1 3.65Å; L85-I91 HydrophobicContact CB-CG1 3.92Å; L85-I91 HydrophobicContact CD1-CD1 3.7Å; L85-I91 HydrophobicContact CD1-CG1 4.49Å; L85-I91 HydrophobicContact CG-CD1 4.3Å; L85-I91 PolarHBondContact O-N 3.14Å; L85-I91 VanDerWaalsContact O-N 3.09Å; L86-I91 HydrophobicContact CD2-CG2 4.47Å; G89-I91 VanDerWaalsContact C-N 3.29Å
92S85.8Confident81Confident102 Ų102117.5 Ų117.571%0.71361%0.61SS**  trans-105128.5168.1-174.30000108.6E94S92-E94 PolarHBondContact O-N 2.88Å
93I82.5Confident79.9Confident114 Ų114124.3 Ų124.359%0.58563%0.631SS**  trans-8896170.7-61167.1000106L86 N95L86-I93 HydrophobicContact CD1-CD1 4.26Å; L86-I93 HydrophobicContact CD2-CD1 3.47Å; L86-I93 VanDerWaalsContact CD2-CD1 3.47Å; L86-I93 HydrophobicContact CD2-CG1 3.66Å; I93-N95 PolarHBondContact O-N 2.98Å
94E82.2Confident78.8Confident128 Ų128131 Ų13160%0.59865%0.652SS**  trans-65.7124.2165.8-77.4176.4120.200108.5S92 K96S92-E94 PolarHBondContact O-N 2.88Å; E94-K96 HydrophobicContact CB-CD 4.15Å; E94-K96 HydrophobicContact CB-CG 4.02Å; E94-K96 PolarHBondContact O-N 3.04Å; E94-K96 VanDerWaalsContact OE1-CE 3.25Å; E94-K96 WeakPolarHBondContact OE1-CE 3.39Å; E94-K96 IonicContact OE1-NZ 3.02Å; E94-K96 PolarHBondContact OE1-NZ 3.04Å; E94-K96 WeakPolarHBondContact OE2-CE 3.48Å; E94-K96 IonicContact OE2-NZ 2.6Å; E94-K96 PolarHBondContact OE2-NZ 2.79Å
95N78.2Confident77.5Confident146 Ų146133 Ų13378%0.78166%0.66SS**  trans-70.969.3172-67.5-28.8000109.7I93 N97I93-N95 PolarHBondContact O-N 2.98Å; N95-N97 PolarHBondContact O-N 2.96Å
96K71.1Confident75.9Confident122 Ų122135.6 Ų135.653%0.5368%0.681SS.*  trans-9399.2173.2-68.4176.2178.1168.30107.6E94 E98E94-K96 HydrophobicContact CB-CD 4.15Å; E94-K96 HydrophobicContact CB-CG 4.02Å; E94-K96 PolarHBondContact O-N 3.04Å; E94-K96 VanDerWaalsContact OE1-CE 3.25Å; E94-K96 WeakPolarHBondContact OE1-CE 3.39Å; E94-K96 IonicContact OE1-NZ 3.02Å; E94-K96 PolarHBondContact OE1-NZ 3.04Å; E94-K96 WeakPolarHBondContact OE2-CE 3.48Å; E94-K96 IonicContact OE2-NZ 2.6Å; E94-K96 PolarHBondContact OE2-NZ 2.79Å; K96-E98 HydrophobicContact CB-CB 4.27Å; K96-E98 PolarHBondContact O-N 3.48Å
97N67.1Low74.6Confident158 Ų158142 Ų14285%0.84571%0.706SS**  trans-65.613.3168.2-46.4-9.8000111.7N95 R99N95-N97 PolarHBondContact O-N 2.96Å; N97-R99 PolarHBondContact O-N 3.14Å
98E66.6Low73Confident146 Ų146142.9 Ų142.968%0.68271%0.713SS**  trans-84.798.7-173.7-154.7164.6-148.900107.1K96 H100K96-E98 HydrophobicContact CB-CB 4.27Å; K96-E98 PolarHBondContact O-N 3.48Å; E98-H100 VanDerWaalsContact C-N 3.26Å; E98-H100 PolarHBondContact O-N 2.74Å
99R64.7Low70.8Confident226 Ų226144.3 Ų144.385%0.85372%0.723SS**  trans-55.998.1168.3-71.7-179.2178.2-172.1-0.3107.2N97 T101N97-R99 PolarHBondContact O-N 3.14Å; R99-T101 PolarHBondContact O-N 2.73Å; R99-T101 PolarHBondContact O-OG1 2.7Å
100H65.5Low68.9Low158 Ų158150.2 Ų150.273%0.73174%0.735SS**  trans-74.464.1169-143.358.1000108.2E98 F102E98-H100 VanDerWaalsContact C-N 3.26Å; E98-H100 PolarHBondContact O-N 2.74Å; H100-F102 PolarHBondContact O-N 3.34Å
101T60.8Low67Low90 Ų90154.5 Ų154.555%0.55274%0.743SS**  trans-70.3115.2161.332.40000106.7R99 K103R99-T101 PolarHBondContact O-N 2.73Å; R99-T101 PolarHBondContact O-OG1 2.7Å; T101-K103 VanDerWaalsContact C-N 3.28Å; T101-K103 PolarHBondContact O-N 2.95Å
102F66.1Low65.5Low185 Ų185157.3 Ų157.381%0.81176%0.758SS**  trans-55.994.3167.5-18.9-87.5000107.6H100 R104H100-F102 PolarHBondContact O-N 3.34Å; F102-R104 VanDerWaalsContact C-N 3.26Å; F102-R104 PolarHBondContact O-N 3.15Å
103K66.6Low64Low186 Ų186161 Ų16181%0.80976%0.764SS**  trans-67.987.8174.2-72.2-84.7-174.4171.30107.2T101 K105T101-K103 VanDerWaalsContact C-N 3.28Å; T101-K103 PolarHBondContact O-N 2.95Å; K103-K105 PolarHBondContact O-N 3.1Å
104R67.3Low62.8Low236 Ų236162 Ų16289%0.89178%0.775SS**PPolyproline II helixtrans-62.8122.4159.6-75.3-179.2150.9178.5-7.4107.1F102F102-R104 VanDerWaalsContact C-N 3.26Å; F102-R104 PolarHBondContact O-N 3.15Å
105K65.3Low61.2Low194 Ų194161.9 Ų161.984%0.84379%0.786SS**PPolyproline II helixtrans-59.6135.6176.5-73-81.2-175.5166.10109.5K103K103-K105 PolarHBondContact O-N 3.1Å
106P60.9Low59.8Low121 Ų121158.3 Ų158.379%0.78678%0.784SS**PPolyproline II helixtrans-63.4137170.7-14.328.5000109.7
107K64.2Low59Low207 Ų207158.5 Ų158.590%0.980%0.797SS**PPolyproline II helixtrans-84.2118.9177.3-170.6170.8-178.7179.40107.9
108E58.2Low58.1Low192 Ų192156.8 Ų156.890%0.89779%0.788SS**PPolyproline II helixtrans-66.4144.6171.2-73.3169.3171.500110
109S46.8Very low57.5Low111 Ų111157.1 Ų157.178%0.77680%0.8SS**  trans-115.5128.9-172.850.80000110
110E50Low57Low183 Ų183152.9 Ų152.986%0.85579%0.794SS**  trans-175129.3164.7-104.3177.6-172.500102.2
111E50.7Low56.2Low158 Ų158150.7 Ų150.774%0.73879%0.794SS**  cis-153.5177.68.2-55-166.813200107.8
112D54.4Low55.9Low140 Ų140155.9 Ų155.975%0.74981%0.809SS**  trans86.194.6159.1-57.8-23.8000121.1
113E55Low55.5Low179 Ų179152.9 Ų152.984%0.83681%0.805SS**  30.4115.7127.2-61.6-164.9144.500119.5
114V57.6Low55Low135 Ų135154.1 Ų154.182%0.81881%0.811SS**  176.5137.8101.7161.20000108.6
115P47.6Very low54.8Low127 Ų127151 Ų15183%0.82581%0.807SS**  trans-100.4145.2-166.61012000113.6
116G49.3Very low54.6Low71 Ų71146.3 Ų146.373%0.73280%0.798SS**  trans157.4147152.800000116.5
117P53.7Low54.9Low125 Ų125148.2 Ų148.281%0.81280%0.8SS**  trans-129.1168.1-131.640.6-24.5000115.2
118N49.6Very low55.1Low123 Ų123147 Ų14766%0.65879%0.792SS**  trans67.3108.3137.3-162.9-9000118.9
119V53.7Low55.3Low152 Ų152148.5 Ų148.592%0.92179%0.789SS**  -149.4133.4129.3-104.50000112.2
120N54.5Low56.6Low137 Ų137150.2 Ų150.273%0.73379%0.789SS**  trans-72.6172.6-169-100.2-52000115.9
121P48.3Very low57.4Low113 Ų113148.4 Ų148.473%0.73478%0.779SS**  trans-90.8151-15436.9-36000113.4
122K53.1Low58Low199 Ų199148.8 Ų148.887%0.86579%0.785SS**  trans-129.9116.6167.1-78-176.9179.4174.90111.4
123V58.3Low58.9Low121 Ų121148.1 Ų148.173%0.73379%0.788SS**  trans57.992.2141.7-167.10000115.9Q125V123-Q125 HydrophobicContact CG1-CG 4.23Å; V123-Q125 PolarHBondContact O-N 3.04Å
124K57.3Low59.5Low213 Ų213142.4 Ų142.493%0.92678%0.778SS**  trans-65.395.8158.2-69.9-179.4179.9177.60108.5S126K124-S126 PolarHBondContact O-N 2.72Å
125Q62.5Low59.9Low171 Ų171141.8 Ų141.880%0.79978%0.776SS**  trans-64.6124.1165.8-77.6-179.6-14.400108.8V123 L127V123-Q125 HydrophobicContact CG1-CG 4.23Å; V123-Q125 PolarHBondContact O-N 3.04Å; Q125-L127 PolarHBondContact O-N 3.25Å
126S61.8Low60.6Low94 Ų94143.5 Ų143.566%0.65778%0.777SS**  trans-61.8114.5175.351.90000110.8K124 Y128K124-S126 PolarHBondContact O-N 2.72Å; S126-Y128 PolarHBondContact O-N 3.19Å
127L66.3Low60.9Low161 Ų161147.3 Ų147.384%0.84378%0.78SS**THydrogen-bonded Turntrans-63.3-1.9178.7-76.4162.7000115.1Q125Q125-L127 PolarHBondContact O-N 3.25Å
128Y67.9Low60.9Low183 Ų183148.8 Ų148.872%0.71878%0.781SS**THydrogen-bonded Turntrans-104.79-171.9-96.5-92000115.4S126 N130 F131S126-Y128 PolarHBondContact O-N 3.19Å; Y128-N130 PolarHBondContact O-N 3.39Å; Y128-F131 AromaticContact CD1-CD2 3.43Å; Y128-F131 HydrophobicContact CD1-CD2 3.43Å; Y128-F131 VanDerWaalsContact CD1-CD2 3.43Å; Y128-F131 AromaticContact CD1-CE2 3.46Å; Y128-F131 HydrophobicContact CD1-CE2 3.46Å; Y128-F131 VanDerWaalsContact CD1-CE2 3.46Å; Y128-F131 AromaticContact CE1-CD2 3.83Å; Y128-F131 HydrophobicContact CE1-CD2 3.83Å; Y128-F131 AromaticContact CE1-CE2 3.45Å; Y128-F131 HydrophobicContact CE1-CE2 3.45Å; Y128-F131 VanDerWaalsContact CE1-CE2 3.45Å; Y128-F131 HydrophobicContact CE1-CZ 4.23Å; Y128-F131 HydrophobicContact CG-CD2 4.3Å; Y128-F131 HydrophobicContact CG-CE2 4.27Å
129R63.9Low60.7Low222 Ų222147.9 Ų147.984%0.83879%0.791SS**THydrogen-bonded Turntrans-71.5-13.6-179.2-160.9177.6-179.9173.11.2114.2F131R129-F131 PolarHBondContact O-N 3.08Å
130N72.5Confident60.6Low147 Ų147149.6 Ų149.679%0.78679%0.794SS**THydrogen-bonded Turntrans-87.3-0.1-174.6-63.5-18.9000114.7Y128 L132Y128-N130 PolarHBondContact O-N 3.39Å; N130-L132 PolarHBondContact O-N 3.46Å
131F66.5Low60.2Low146 Ų146146.2 Ų146.264%0.6479%0.791SS**  trans-88.390.2174.4-65.7-80.5000109.6Y128 R129 P133Y128-F131 AromaticContact CD1-CD2 3.43Å; Y128-F131 HydrophobicContact CD1-CD2 3.43Å; Y128-F131 VanDerWaalsContact CD1-CD2 3.43Å; Y128-F131 AromaticContact CD1-CE2 3.46Å; Y128-F131 HydrophobicContact CD1-CE2 3.46Å; Y128-F131 VanDerWaalsContact CD1-CE2 3.46Å; Y128-F131 AromaticContact CE1-CD2 3.83Å; Y128-F131 HydrophobicContact CE1-CD2 3.83Å; Y128-F131 AromaticContact CE1-CE2 3.45Å; Y128-F131 HydrophobicContact CE1-CE2 3.45Å; Y128-F131 VanDerWaalsContact CE1-CE2 3.45Å; Y128-F131 HydrophobicContact CE1-CZ 4.23Å; Y128-F131 HydrophobicContact CG-CD2 4.3Å; Y128-F131 HydrophobicContact CG-CE2 4.27Å; R129-F131 PolarHBondContact O-N 3.08Å; F131-P133 WeakPolarHBondContact O-CD 3.49Å
132L65.2Low60.1Low166 Ų166146.5 Ų146.587%0.86979%0.793SS**PPolyproline II helixtrans-64.6123.8163.1-75.7166.3000108.6N130 G134N130-L132 PolarHBondContact O-N 3.46Å; L132-G134 PolarHBondContact O-N 3.48Å
133P72.3Confident59.9Low125 Ų125144.5 Ų144.581%0.81279%0.787SS**PPolyproline II helixtrans-61.7116.8170.3-19.432.1000109.4F131F131-P133 WeakPolarHBondContact O-CD 3.49Å
134G67.8Low59.6Low60 Ų60145.6 Ų145.662%0.61978%0.784SS**PPolyproline II helixtrans-64.4152.6175.900000112.1L132 I136L132-G134 PolarHBondContact O-N 3.48Å; G134-I136 PolarHBondContact O-N 3.28Å
135P65.8Low59.2Low121 Ų121144.6 Ų144.679%0.78678%0.779SS**PPolyproline II helixtrans-63.5133.3-17325.1-33.2000112.1L137P135-L137 PolarHBondContact O-N 3.28Å
136I63.3Low58.3Low164 Ų164147.2 Ų147.284%0.84178%0.782SS**  trans-75.2100.7171.6-57.2170.6000107.3G134 N138G134-I136 PolarHBondContact O-N 3.28Å; I136-N138 PolarHBondContact O-N 2.97Å
137L54.9Low57.7Low151 Ų151150.8 Ų150.879%0.79179%0.792SS**  trans-81.199.5167.5-66.4176000108.1P135P135-L137 PolarHBondContact O-N 3.28Å
138N53.8Low56.5Low155 Ų155150 Ų15083%0.82979%0.788SS**  trans159.991.5144.5-79.1-15.3000110I136I136-N138 PolarHBondContact O-N 2.97Å
139A45.1Very low55.4Low105 Ų105147.9 Ų147.987%0.86880%0.795SS**  trans-156.278.6161.900000109.9
140L51.6Low54.4Low188 Ų188142.7 Ų142.798%0.98479%0.792SS**  trans-109.9124.6154.1-85.1150.3000103.9
141G45.3Very low53.4Low66 Ų66140.8 Ų140.868%0.6879%0.791SS**  cis-176.2151.9-600000103.5
142P47.5Very low52.1Low118 Ų118141.6 Ų141.677%0.76680%0.802SS**  trans-85137.5177.833.7-28.1000109.3
143E48.8Very low51.3Low158 Ų158144.4 Ų144.474%0.73880%0.802SS**  trans-165.3109.1147.1-88-44.9116.700108.8
144E51.2Low50Low144 Ų144147.9 Ų147.967%0.67381%0.805SS**  trans44.1106.5137.3-63.6-167.2167.800121.6
145K48.3Very low48.6Very low191 Ų191149.7 Ų149.783%0.8381%0.814SS**  173.8136.493.1-102.6151.8-169.1170.50111.9
146R43.6Very low47.7Very low226 Ų226149 Ų14985%0.85382%0.818SS**  trans-70.1146179.5-58.2-176.4173178.9-2.4111
147I49.3Very low46.4Very low170 Ų170147 Ų14787%0.87281%0.814SS**  -160.1108.1129-83.8134.2000105.9
148D40.9Very low45.9Very low143 Ų143146 Ų14677%0.76582%0.818SS**  trans-66.9141.8160.9-72-58.1000109.3
149V44.9Very low45.3Very low140 Ų140147.8 Ų147.885%0.84882%0.821SS**  -160.7114.1125.61730000108.1
150S43.1Very low45.3Very low113 Ų113146.5 Ų146.579%0.7982%0.818SS**  trans-70.1145.3162.6-73.10000111.2
151S52.3Low44.7Very low107 Ų107145.6 Ų145.675%0.74881%0.814SS**  -171.3137.5127.746.40000112.9
152N39.7Very low44.4Very low163 Ų163148.9 Ų148.987%0.87283%0.825SS**  trans-70.8151.3171.2-69.6-65.1000111.5
153Y48.3Very low44.2Very low224 Ų224149.1 Ų149.188%0.87883%0.825SS**  trans-144138.1140.345.6-89.2000111.6
154K45.4Very low43.8Very low199 Ų199149.2 Ų149.287%0.86583%0.83SS**  trans-78.3152.6-174.6-90.6169.5165.1175.30112.5
155A37.3Very low43.4Very low98 Ų98146.8 Ų146.881%0.8183%0.834SS**  trans23.9129.1136.100000120.1
156A46.6Very low43.3Very low105 Ų105143 Ų14387%0.86883%0.832SS**  trans-148.6123.5138.400000110.1
157T35.6Very low43.4Very low123 Ų123140.8 Ų140.876%0.75583%0.831SS**  trans-68.8140.3166.9-54.10000109.6
158C45.1Very low43.1Very low131 Ų131139 Ų13989%0.88583%0.829SS**  trans-150.7134.6152.7-100.90000110.1
159E41.2Very low43.2Very low192 Ų192140.3 Ų140.390%0.89784%0.835SS**  trans-81.1156.3179.7-49.3-144.5150.600111
160G45.8Very low43.4Very low77 Ų77144.9 Ų144.979%0.79484%0.837SS**  trans173.296.1174.300000112.1
161N38.4Very low43.8Very low170 Ų170145.4 Ų145.491%0.90984%0.835SS**  trans-61.1131.5165.9-73.3-30.4000110
162C40.1Very low43.8Very low135 Ų135150.7 Ų150.791%0.91285%0.845SS**  trans-160.1141.2149.1-100.70000110.2
163T41.7Very low44.2Very low123 Ų123154.7 Ų154.776%0.75585%0.848SS**  trans-77.1157.9-172.539.30000113.8
164D41.9Very low44.2Very low160 Ų160153.8 Ų153.886%0.85685%0.848SS**  trans75.3148.5156.3-66.8-33.6000121
165A42.1Very low44.5Very low92 Ų92153.1 Ų153.176%0.7685%0.848SS**  trans83.982.4172.600000117.3
166S45.4Very low45.3Very low111 Ų111157.9 Ų157.978%0.77685%0.854SS**  29.8125.6118.5-46.40000119.5
167E47.4Very low45.4Very low180 Ų180160.9 Ų160.984%0.84185%0.854SS**  trans78.996.3131.9-158.3168.2-156.300117.4
168T42.3Very low45.8Very low133 Ų133162.9 Ų162.982%0.81686%0.86SS**  trans-173.112713322.40000108
169L41.7Very low45.8Very low170 Ų170165 Ų16589%0.8986%0.862SS**  trans157.986.7149.2-84.8164.5000110.2
170R50.7Low46.1Very low236 Ų236163.8 Ų163.889%0.89186%0.861SS**  trans178.5121.2161.5-97.2158.6-167.4-151.86.1102.8
171T51.3Low46Very low124 Ų124168.1 Ų168.176%0.76187%0.865SS**  cis177.6129.143.927.80000107.8R173T171-R173 PolarHBondContact O-N 3.22Å
172K52.3Low46.2Very low218 Ų218167.6 Ų167.695%0.94886%0.862SS**SBendtrans-86.685.3163.5-75.8-175.5175.6-179.80109.7
173R46.7Very low46.7Very low247 Ų247167.6 Ų167.693%0.93285%0.853SS**  trans-170.847161.6-139.6176.3-178.2136.7-0.3115.1T171T171-R173 PolarHBondContact O-N 3.22Å
174K48.9Very low47.4Very low205 Ų205170.9 Ų170.989%0.89186%0.857SS**  trans-142.574177.7-156.3178-177-175.50112.3
175Q51.2Low47.5Very low186 Ų186170.4 Ų170.487%0.86985%0.854SS**  trans-147.597.4163.4-77.5-177.7-17.300105.6
176Q54Low48Very low198 Ų198174.1 Ų174.193%0.92586%0.861SS**SBendtrans175.117.9159.4-103.1176.217.300116.2
177L49.9Very low47.9Very low167 Ų167175.2 Ų175.287%0.87486%0.858SS**  trans-145.968179.6-154.596.6000112.9
178N43.7Very low48.1Very low165 Ų165172.9 Ų172.988%0.88286%0.856SS**  trans-154.949.4172.7-100.71.5000111.7
179L45.9Very low48.1Very low177 Ų177173.4 Ų173.493%0.92785%0.854SS**  trans-143.193.2166.8-91.6109.7000107.4
180L45.9Very low48.6Very low166 Ų166173.8 Ų173.887%0.86985%0.851SS**  trans178.663.6147.1-15967.4000111.1
181L45.3Very low48.4Very low167 Ų167168.4 Ų168.487%0.87484%0.844SS**  trans-148.795.3160.7-83.9105.7000107.7
182D41.8Very low48.1Very low160 Ų160170.4 Ų170.486%0.85685%0.848SS**  trans-154.2146.2156.6-88.3-40.5000108.5
183D50.4Low47.8Very low135 Ų135164.3 Ų164.372%0.72283%0.833SS**  trans78.3100.4172.4-60.5-33.5000118.4
184K57.6Low47.7Very low191 Ų191159.4 Ų159.483%0.8383%0.826SS**  -176.1119.888-80-56.4173.1-167.60111
185N43.3Very low47.6Very low150 Ų150155.5 Ų155.580%0.80282%0.819SS**  trans-65.2138.1161.3-109.1-53.2000110.5
186L52.2Low47.1Very low171 Ų171151.9 Ų151.990%0.89581%0.814SS**  trans-153.1118.6141.8-142.679.9000109.8
187D42.8Very low46.2Very low134 Ų134149.9 Ų149.972%0.71781%0.809SS**  trans-51.3138.7172.3-72.8-56.3000112.9
188T52.8Low45.7Very low131 Ų131146.2 Ų146.280%0.80480%0.798SS**  trans-159.8100.9140-62.30000108.4
189D41.9Very low45.5Very low144 Ų144144.9 Ų144.977%0.7780%0.8SS**  trans-62.9129159.3-76.3-44.4000109.6
190Q52.9Low44.9Very low177 Ų177142.4 Ų142.483%0.82779%0.788SS**  trans-174.6116.9139.1-103.2172.686.100113.1
191V46.6Very low45Very low124 Ų124143.5 Ų143.575%0.75279%0.786SS**  trans77.2107142.1-166.50000119.1
192I43.8Very low44.8Very low165 Ų165140.7 Ų140.785%0.84677%0.771SS**  trans-75.4131.7163.3-65161000109.5
193S47.3Very low44.8Very low91 Ų91140.5 Ų140.564%0.63677%0.766SS**  trans-169.2115.9141.523.90000111.5
194D43.6Very low44.5Very low144 Ų144141.9 Ų141.977%0.7777%0.772SS**  trans72.7101.1131.9-59.4-26.6000123.5
195V47.9Very low44Very low123 Ų123139.8 Ų139.875%0.74577%0.765SS**  70.895.3125.5-159.50000119.8
196S40.7Very low44.2Very low110 Ų110135.8 Ų135.877%0.76975%0.747SS**  trans74.766.3139.1-49.80000119.5
197D34.9Very low44.1Very low155 Ų155133.8 Ų133.883%0.82975%0.745SS**  trans-131.8130.9161.1-104.3-32.4000111.8
198S37.6Very low44.2Very low90 Ų90134.7 Ų134.763%0.62975%0.749SS**  trans48.5100.8152.855.30000118.3N200S198-N200 PolarHBondContact O-N 3.43Å
199C40.1Very low44.1Very low137 Ų137136.1 Ų136.193%0.92674%0.74SS**  trans-67.676.4154.947.70000110.5F201C199-F201 PolarHBondContact O-N 2.94Å
200N33.8Very low44.7Very low126 Ų126133.4 Ų133.467%0.67473%0.73SS**  trans-62.499.3158.2-106.6-23.8000107.6S198 D202S198-N200 PolarHBondContact O-N 3.43Å; N200-D202 PolarHBondContact O-N 3.47Å
201F46.9Very low45.2Very low188 Ų188130 Ų13083%0.82572%0.721SS**  trans-72.281.1166.1-165-92.4000107.4C199 Q203C199-F201 PolarHBondContact O-N 2.94Å; F201-Q203 PolarHBondContact O-N 3.36Å
202D42.4Very low46.4Very low108 Ų108126.9 Ų126.958%0.57870%0.699SS**  trans-61.9105.1177.9-99.7-37.9000110.7N200 L204N200-D202 PolarHBondContact O-N 3.47Å; D202-L204 PolarHBondContact O-N 3.49Å
203Q40.6Very low48.7Very low157 Ų157120.4 Ų120.473%0.73467%0.668SS**  50.671.6121-72.8177.870.800117F201F201-Q203 PolarHBondContact O-N 3.36Å
204L44.5Very low51Low163 Ų163117 Ų11785%0.85364%0.643SS**  trans-125.455.2141.9-69.8177.3000110D202 P206D202-L204 PolarHBondContact O-N 3.49Å; L204-P206 WeakPolarHBondContact O-CD 3.46Å
205H47.4Very low53.5Low147 Ų147110.1 Ų110.168%0.68161%0.606SS**  trans-97.3109.1169-84.7-120.8000109.2
206P48.2Very low55.8Low66 Ų66107.1 Ų107.143%0.42958%0.582SS.*  trans-58.8137170.224.1-31.4000108.6L204 N208 R209L204-P206 WeakPolarHBondContact O-CD 3.46Å; P206-N208 PolarHBondContact O-N 3.14Å; P206-R209 HydrophobicContact CG-CG 4.25Å
207P49.5Very low58.4Low130 Ų130101.9 Ų101.984%0.84455%0.546SS*.THydrogen-bonded Turntrans-72.324.4-162.229.3-36.6000115
208N45.2Very low61.4Low153 Ų15395 Ų9582%0.81851%0.511SS*.THydrogen-bonded Turntrans-151.724.5-173.1-105.4-44.8000114.8P206 P210P206-N208 PolarHBondContact O-N 3.14Å; N208-P210 WeakPolarHBondContact O-CD 3.49Å
209R50Low64.1Low161 Ų16192 Ų9261%0.60849%0.487SS*.  trans-76.1125166.5-72.4-171.9-164.5-1617.5108.7P206 T211P206-R209 HydrophobicContact CG-CG 4.25Å; R209-T211 PolarHBondContact O-N 3.47Å
210P55.3Low66.7Low86 Ų8689.2 Ų89.256%0.55846%0.46SS*.  trans-51.7116.6171.5-21.230.5000107.9N208 H212N208-P210 WeakPolarHBondContact O-CD 3.49Å; P210-H212 PolarHBondContact O-CE1 2.92Å; P210-H212 PolarHBondContact O-N 3.31Å; P210-H212 PolarHBondContact O-ND1 3.32Å; P210-H212 VanDerWaalsContact O-ND1 3.09Å
211T62.8Low69.6Low105 Ų10587.9 Ų87.964%0.64445%0.453SS*.  trans-54.2107.9-176.8440000108.1R209 S213R209-T211 PolarHBondContact O-N 3.47Å; T211-S213 PolarHBondContact O-N 3.26Å
212H72.4Confident71.9Confident59 Ų5979.2 Ų79.227%0.27342%0.415SS..  trans-7098.7-170.5-60.7-50.5000108.4P210 T214 N256 Y279P210-H212 PolarHBondContact O-CE1 2.92Å; P210-H212 PolarHBondContact O-N 3.31Å; P210-H212 PolarHBondContact O-ND1 3.32Å; P210-H212 VanDerWaalsContact O-ND1 3.09Å; H212-T214 VanDerWaalsContact C-N 3.27Å; H212-N256 PolarHBondContact O-ND2 3Å; H212-N256 VanDerWaalsContact O-ND2 3.14Å; H212-Y279 HydrophobicContact CB-CD1 3.72Å; H212-Y279 HydrophobicContact CB-CE1 4.26Å; H212-Y279 HydrophobicContact CB-CG 4.46Å; H212-Y279 WeakPolarHBondContact O-CE1 3.19Å
213S91.8Very high74.4Confident29 Ų2977.4 Ų77.420%0.20341%0.408CS..  trans-86.2-4.4169.863.30000112T211 M253T211-S213 PolarHBondContact O-N 3.26Å; S213-M253 WeakPolarHBondContact CB-O 3.45Å; S213-M253 PolarHBondContact O-N 2.9Å
214T94.8Very high77Confident19 Ų1974.9 Ų74.912%0.11740%0.396CS..EExtended strand (participates in β ladder)trans-100.1123.6-178.5-53.60000111.6H212 V251 T252 A280 F284H212-T214 VanDerWaalsContact C-N 3.27Å; T214-V251 CarbonylContact C-O 3.3Å; T214-V251 VanDerWaalsContact CA-O 3.3Å; T214-V251 WeakPolarHBondContact CA-O 3.4Å; T214-T252 PolarHBondContact OG1-OG1 3.31Å; T214-A280 HydrophobicContact CG2-CB 3.88Å; T214-A280 VanDerWaalsContact O-CB 3.3Å; T214-A280 WeakPolarHBondContact O-CB 3.48Å; T214-A280 PolarHBondContact O-N 2.9Å; T214-F284 HydrophobicContact CG2-CD2 4.4Å
215L96Very high79.5Confident0 Ų071 Ų710%038%0.38CS..EExtended strand (participates in β ladder)trans-102.7143.7178.7-58.6173.6000110.1F231 Y250 V251 M253 A259 A262 L263 V277 S278 Y279L215-F231 HydrophobicContact CD1-CD1 4.41Å; L215-F231 HydrophobicContact CD1-CE1 3.79Å; L215-Y250 CarbonylContact O-C 3.53Å; L215-Y250 VanDerWaalsContact O-CA 3.27Å; L215-Y250 WeakPolarHBondContact O-CA 3.12Å; L215-V251 PolarHBondContact N-O 2.99Å; L215-V251 PolarHBondContact O-N 2.92Å; L215-M253 HydrophobicContact CD1-CG 4.19Å; L215-A259 HydrophobicContact CD1-CB 4.46Å; L215-A259 HydrophobicContact CD2-CB 4.25Å; L215-A259 HydrophobicContact CG-CB 4.36Å; L215-A262 HydrophobicContact CD1-CB 3.67Å; L215-L263 HydrophobicContact CD2-CD1 4.27Å; L215-V277 HydrophobicContact CB-CG1 4.33Å; L215-V277 HydrophobicContact CD1-CG1 4.14Å; L215-V277 HydrophobicContact CD2-CG1 4.5Å; L215-S278 CarbonylContact C-O 3.52Å; L215-S278 WeakPolarHBondContact CA-O 3.37Å; L215-Y279 HydrophobicContact CD2-CD1 3.97Å; L215-Y279 HydrophobicContact CD2-CE1 4.09Å
216Y96.4Very high81.8Confident60 Ų6066 Ų6624%0.23536%0.357CS..EExtended strand (participates in β ladder)trans-91.1127.2162.4171-90000108.5H248 Y250 V277 S278Y216-H248 HydrophobicContact CD2-CB 4.4Å; Y216-H248 HydrophobicContact CE2-CB 3.5Å; Y216-H248 VanDerWaalsContact CE2-CB 3.5Å; Y216-H248 AromaticContact CE2-CD2 3.86Å; Y216-H248 AromaticContact CE2-CG 3.92Å; Y216-Y250 HydrophobicContact CD2-CD1 4.27Å; Y216-Y250 AromaticContact CD2-CE1 3.69Å; Y216-Y250 HydrophobicContact CD2-CE1 3.69Å; Y216-Y250 AromaticContact CD2-CZ 3.94Å; Y216-Y250 HydrophobicContact CG-CE1 4.44Å; Y216-V277 WeakPolarHBondContact O-CA 3.43Å; Y216-S278 PolarHBondContact N-O 3.22Å; Y216-S278 PolarHBondContact O-N 2.92Å
217V96.6Very high84.1Confident0 Ų062.8 Ų62.80%034%0.336CS..EExtended strand (participates in β ladder)trans-117.9114.2178.1-174.80000108.2I222 I227 F231 H248 A249 V251 L275 R276V217-I222 HydrophobicContact CG1-CD1 4.5Å; V217-I227 HydrophobicContact CB-CD1 4.33Å; V217-I227 HydrophobicContact CG1-CD1 3.84Å; V217-F231 HydrophobicContact CG1-CE2 4.26Å; V217-F231 HydrophobicContact CG1-CZ 4.39Å; V217-F231 HydrophobicContact CG2-CE1 4.36Å; V217-F231 HydrophobicContact CG2-CE2 3.84Å; V217-F231 HydrophobicContact CG2-CZ 3.45Å; V217-F231 VanDerWaalsContact CG2-CZ 3.45Å; V217-H248 CarbonylContact O-C 3.46Å; V217-H248 WeakPolarHBondContact O-CA 3.37Å; V217-A249 PolarHBondContact N-O 3.05Å; V217-A249 PolarHBondContact O-N 3.04Å; V217-V251 HydrophobicContact CG2-CB 4.43Å; V217-V251 HydrophobicContact CG2-CG2 3.66Å; V217-L275 HydrophobicContact CG1-CD1 3.52Å; V217-L275 HydrophobicContact CG1-CG 4.35Å; V217-R276 CarbonylContact C-O 3.51Å; V217-R276 VanDerWaalsContact CA-O 3.32Å; V217-R276 WeakPolarHBondContact CA-O 3.33Å
218G96.2Very high86.3Confident11 Ų1160.4 Ų60.411%0.11331%0.314CS..EExtended strand (participates in β ladder)trans-100.9118.9175.100000110.3R276G218-R276 PolarHBondContact N-O 3.19Å; G218-R276 PolarHBondContact O-N 3.08Å
219Y96.2Very high88.7Confident28 Ų2858.5 Ų58.511%0.1130%0.303CS..  trans-165.4154.8179.9-168.3-99.7000109.4I222 F226 N247 V270 S271 R273 L275Y219-I222 HydrophobicContact CD1-CG1 4.12Å; Y219-I222 HydrophobicContact CG-CG1 4.38Å; Y219-I222 WeakPolarHBondContact O-CD1 3.46Å; Y219-I222 WeakPolarHBondContact O-CG1 3.26Å; Y219-F226 AromaticContact CD1-CE1 3.71Å; Y219-F226 HydrophobicContact CD1-CE1 3.71Å; Y219-F226 AromaticContact CD1-CZ 3.91Å; Y219-F226 HydrophobicContact CD1-CZ 3.91Å; Y219-F226 AromaticContact CE1-CE1 3.99Å; Y219-F226 HydrophobicContact CE1-CE1 3.99Å; Y219-F226 HydrophobicContact CE1-CE2 4.36Å; Y219-F226 AromaticContact CE1-CZ 3.72Å; Y219-F226 HydrophobicContact CE1-CZ 3.72Å; Y219-F226 HydrophobicContact CE2-CZ 4.5Å; Y219-F226 HydrophobicContact CG-CE1 4.18Å; Y219-F226 HydrophobicContact CG-CZ 4.38Å; Y219-N247 PolarHBondContact N-O 2.96Å; Y219-N247 VanDerWaalsContact N-O 3.15Å; Y219-N247 CarbonylContact O-C 3.01Å; Y219-N247 WeakPolarHBondContact O-CA 3.35Å; Y219-V270 HydrophobicContact CE2-CB 4.33Å; Y219-V270 PolarHBondContact OH-O 2.99Å; Y219-S271 WeakPolarHBondContact OH-CB 3.35Å; Y219-R273 HydrophobicContact CD2-CB 4.49Å; Y219-R273 HydrophobicContact CE2-CB 3.67Å; Y219-L275 HydrophobicContact CD2-CD1 3.9Å; Y219-L275 HydrophobicContact CG-CD1 4.07Å
220H94.4Very high90.9Very high78 Ų7852 Ų5236%0.36128%0.282SS..THydrogen-bonded Turntrans-84.7139-176.3-175.259.9000112I222 N247 R273H220-I222 VanDerWaalsContact C-N 3.32Å; H220-I222 PolarHBondContact O-N 3.18Å; H220-N247 PolarHBondContact ND1-OD1 3.38Å; H220-R273 PolarHBondContact CD2-NH1 3.03Å
221N93.3Very high92.9Very high98 Ų9848 Ų4852%0.52426%0.255SS..THydrogen-bonded Turntrans51.448.3179.7-61.1-24.6000113.1T223 S246N221-T223 PolarHBondContact O-N 3.17Å; N221-S246 PolarHBondContact N-O 3.17Å
222I94.9Very high94.4Very high5 Ų550.4 Ų50.43%0.02626%0.257CS..  trans-63.6130.3178.1-68165.6000110V217 Y219 H220 I227 S246 A249V217-I222 HydrophobicContact CG1-CD1 4.5Å; Y219-I222 HydrophobicContact CD1-CG1 4.12Å; Y219-I222 HydrophobicContact CG-CG1 4.38Å; Y219-I222 WeakPolarHBondContact O-CD1 3.46Å; Y219-I222 WeakPolarHBondContact O-CG1 3.26Å; H220-I222 VanDerWaalsContact C-N 3.32Å; H220-I222 PolarHBondContact O-N 3.18Å; I222-I227 HydrophobicContact CG2-CD1 3.65Å; I222-I227 HydrophobicContact CG2-CG1 3.4Å; I222-I227 VanDerWaalsContact CG2-CG1 3.4Å; I222-S246 PolarHBondContact N-O 3.29Å; I222-A249 HydrophobicContact CD1-CB 4.14Å; I222-A249 HydrophobicContact CG2-CB 3.92Å
223T95.8Very high95.6Very high70 Ų7052.4 Ų52.443%0.42928%0.275SS..  trans-112153.9168.6620000110N221 F226 I227N221-T223 PolarHBondContact O-N 3.17Å; T223-F226 PolarHBondContact O-N 2.82Å; T223-F226 VanDerWaalsContact OG1-CB 3.32Å; T223-F226 WeakPolarHBondContact OG1-CB 3.22Å; T223-F226 PolarHBondContact OG1-N 2.76Å; T223-I227 PolarHBondContact O-N 2.88Å
224E95.4Very high95.8Very high104 Ų10454.2 Ų54.249%0.48628%0.278SS..Hα-helixtrans-57.2-45.1175.7-168.5169-167.800113.7F226 I227 H228 I240 I242E224-F226 PolarHBondContact O-N 2.89Å; E224-I227 PolarHBondContact O-N 3.46Å; E224-H228 PolarHBondContact O-N 3.46Å; E224-I240 HydrophobicContact CG-CB 4.26Å; E224-I240 HydrophobicContact CG-CD1 3.75Å; E224-I240 HydrophobicContact CG-CG2 4.3Å; E224-I242 HydrophobicContact CB-CD1 4.22Å
225P96.2Very high95.8Very high81 Ų8154.1 Ų54.153%0.52628%0.281SS..Hα-helixtrans-61.7-40.2176.322.1-34.8000113I227 H228 D229P225-I227 VanDerWaalsContact C-N 3.32Å; P225-I227 PolarHBondContact O-N 3.13Å; P225-H228 WeakPolarHBondContact O-CB 3.45Å; P225-H228 PolarHBondContact O-N 2.91Å; P225-H228 VanDerWaalsContact O-N 3.11Å; P225-D229 PolarHBondContact O-N 2.82Å
226F95.6Very high95.9Very high42 Ų4258.5 Ų58.518%0.18431%0.307CS..Hα-helixtrans-58.3-44.2177.5170-101.1000112.1Y219 T223 E224 H228 D229 V230 V270Y219-F226 AromaticContact CD1-CE1 3.71Å; Y219-F226 HydrophobicContact CD1-CE1 3.71Å; Y219-F226 AromaticContact CD1-CZ 3.91Å; Y219-F226 HydrophobicContact CD1-CZ 3.91Å; Y219-F226 AromaticContact CE1-CE1 3.99Å; Y219-F226 HydrophobicContact CE1-CE1 3.99Å; Y219-F226 HydrophobicContact CE1-CE2 4.36Å; Y219-F226 AromaticContact CE1-CZ 3.72Å; Y219-F226 HydrophobicContact CE1-CZ 3.72Å; Y219-F226 HydrophobicContact CE2-CZ 4.5Å; Y219-F226 HydrophobicContact CG-CE1 4.18Å; Y219-F226 HydrophobicContact CG-CZ 4.38Å; T223-F226 PolarHBondContact O-N 2.82Å; T223-F226 VanDerWaalsContact OG1-CB 3.32Å; T223-F226 WeakPolarHBondContact OG1-CB 3.22Å; T223-F226 PolarHBondContact OG1-N 2.76Å; E224-F226 PolarHBondContact O-N 2.89Å; F226-H228 VanDerWaalsContact C-N 3.34Å; F226-D229 PolarHBondContact O-N 3.35Å; F226-V230 HydrophobicContact CD2-CG2 4.19Å; F226-V230 HydrophobicContact CE1-CG2 4.33Å; F226-V230 HydrophobicContact CE2-CG2 3.81Å; F226-V230 HydrophobicContact CZ-CG2 3.9Å; F226-V230 VanDerWaalsContact O-CG2 3.3Å; F226-V230 WeakPolarHBondContact O-CG2 3.2Å; F226-V230 PolarHBondContact O-N 3.4Å; F226-V230 VanDerWaalsContact O-N 3.07Å; F226-V270 HydrophobicContact CE2-CG1 3.53Å; F226-V270 HydrophobicContact CZ-CB 4.44Å; F226-V270 HydrophobicContact CZ-CG1 3.63Å
227I96.4Very high95.9Very high0 Ų056.5 Ų56.50%030%0.301CS..Hα-helixtrans-65.2-40.8176.7-65-62.6000110.9V217 I222 T223 E224 P225 D229 F231 I240 A249 V251V217-I227 HydrophobicContact CB-CD1 4.33Å; V217-I227 HydrophobicContact CG1-CD1 3.84Å; I222-I227 HydrophobicContact CG2-CD1 3.65Å; I222-I227 HydrophobicContact CG2-CG1 3.4Å; I222-I227 VanDerWaalsContact CG2-CG1 3.4Å; T223-I227 PolarHBondContact O-N 2.88Å; E224-I227 PolarHBondContact O-N 3.46Å; P225-I227 VanDerWaalsContact C-N 3.32Å; P225-I227 PolarHBondContact O-N 3.13Å; I227-D229 PolarHBondContact O-N 3.34Å; I227-F231 HydrophobicContact CD1-CE2 4.28Å; I227-F231 HydrophobicContact CG2-CD2 3.94Å; I227-F231 HydrophobicContact CG2-CE2 4.4Å; I227-F231 WeakPolarHBondContact O-CB 3.36Å; I227-F231 VanDerWaalsContact O-CD2 3.29Å; I227-F231 WeakPolarHBondContact O-CD2 3.33Å; I227-F231 PolarHBondContact O-N 3.16Å; I227-I240 HydrophobicContact CB-CD1 4.03Å; I227-I240 HydrophobicContact CG2-CD1 3.69Å; I227-I240 HydrophobicContact CG2-CG1 3.99Å; I227-I240 HydrophobicContact CG2-CG2 4.36Å; I227-A249 HydrophobicContact CD1-CB 4.46Å; I227-A249 HydrophobicContact CG1-CB 4.44Å; I227-V251 HydrophobicContact CG2-CB 4.48Å; I227-V251 HydrophobicContact CG2-CG1 4.17Å; I227-V251 HydrophobicContact CG2-CG2 3.46Å; I227-V251 VanDerWaalsContact CG2-CG2 3.46Å
228H96.5Very high95.8Very high80 Ų8061.1 Ų61.137%0.3733%0.33SS..Hα-helixtrans-58.8-48.6175.4-99.8-71.9000111.7E224 P225 F226 V230 F231 K232 I240E224-H228 PolarHBondContact O-N 3.46Å; P225-H228 WeakPolarHBondContact O-CB 3.45Å; P225-H228 PolarHBondContact O-N 2.91Å; P225-H228 VanDerWaalsContact O-N 3.11Å; F226-H228 VanDerWaalsContact C-N 3.34Å; H228-V230 PolarHBondContact O-N 3.19Å; H228-F231 PolarHBondContact O-N 3.23Å; H228-K232 WeakPolarHBondContact O-CB 3.4Å; H228-K232 PolarHBondContact O-N 3.36Å; H228-I240 WeakPolarHBondContact CD2-CD1 3.38Å; H228-I240 WeakPolarHBondContact NE2-CD1 3.44Å
229D95.7Very high95.7Very high113 Ų11365.2 Ų65.260%0.60434%0.342SS*.Hα-helixtrans-64.3-42.4-177.2-68.2-24.4000112.4P225 F226 I227P225-D229 PolarHBondContact O-N 2.82Å; F226-D229 PolarHBondContact O-N 3.35Å; I227-D229 PolarHBondContact O-N 3.34Å
230V95.8Very high95.7Very high25 Ų2565 Ų6515%0.15234%0.342CS..Hα-helixtrans-69.9-39-179.7172.90000112.2F226 H228 P233 L265 L275F226-V230 HydrophobicContact CD2-CG2 4.19Å; F226-V230 HydrophobicContact CE1-CG2 4.33Å; F226-V230 HydrophobicContact CE2-CG2 3.81Å; F226-V230 HydrophobicContact CZ-CG2 3.9Å; F226-V230 VanDerWaalsContact O-CG2 3.3Å; F226-V230 WeakPolarHBondContact O-CG2 3.2Å; F226-V230 PolarHBondContact O-N 3.4Å; F226-V230 VanDerWaalsContact O-N 3.07Å; H228-V230 PolarHBondContact O-N 3.19Å; V230-P233 WeakPolarHBondContact O-CD 3.46Å; V230-L265 HydrophobicContact CG1-CD1 3.88Å; V230-L275 HydrophobicContact CG1-CD2 3.95Å
231F96.8Very high95.7Very high0 Ų066 Ų660%034%0.342CS..Hα-helixtrans-92.6-16.3-174.5-75.3-97.6000114.3L215 V217 I227 H228 P233 Y234 G235 V237 V251 M253 A262 L265 V277L215-F231 HydrophobicContact CD1-CD1 4.41Å; L215-F231 HydrophobicContact CD1-CE1 3.79Å; V217-F231 HydrophobicContact CG1-CE2 4.26Å; V217-F231 HydrophobicContact CG1-CZ 4.39Å; V217-F231 HydrophobicContact CG2-CE1 4.36Å; V217-F231 HydrophobicContact CG2-CE2 3.84Å; V217-F231 HydrophobicContact CG2-CZ 3.45Å; V217-F231 VanDerWaalsContact CG2-CZ 3.45Å; I227-F231 HydrophobicContact CD1-CE2 4.28Å; I227-F231 HydrophobicContact CG2-CD2 3.94Å; I227-F231 HydrophobicContact CG2-CE2 4.4Å; I227-F231 WeakPolarHBondContact O-CB 3.36Å; I227-F231 VanDerWaalsContact O-CD2 3.29Å; I227-F231 WeakPolarHBondContact O-CD2 3.33Å; I227-F231 PolarHBondContact O-N 3.16Å; H228-F231 PolarHBondContact O-N 3.23Å; F231-P233 VanDerWaalsContact C-CD 3.48Å; F231-Y234 PolarHBondContact O-N 3.02Å; F231-G235 PolarHBondContact O-N 3.15Å; F231-V237 HydrophobicContact CB-CG2 3.84Å; F231-V251 HydrophobicContact CD1-CG1 4.49Å; F231-M253 HydrophobicContact CD1-SD 4.23Å; F231-A262 HydrophobicContact CD1-CB 3.78Å; F231-A262 HydrophobicContact CE1-CB 3.83Å; F231-L265 HydrophobicContact CD1-CD1 4.15Å; F231-L265 HydrophobicContact CE1-CD1 3.95Å; F231-L265 HydrophobicContact CE2-CD1 4.41Å; F231-L265 HydrophobicContact CG-CD1 4.46Å; F231-L265 HydrophobicContact CZ-CD1 4.08Å; F231-V277 HydrophobicContact CE1-CG1 4.42Å; F231-V277 HydrophobicContact CZ-CG1 4.35Å; F231-V277 HydrophobicContact CZ-CG2 4.15Å
232K96Very high95.8Very high157 Ų15764.8 Ų64.868%0.68334%0.335SS*.G310 helixtrans-48.3-45176.8-178.5176.8-176-178.10114.7H228 Y234 G235H228-K232 WeakPolarHBondContact O-CB 3.4Å; H228-K232 PolarHBondContact O-N 3.36Å; K232-Y234 PolarHBondContact O-N 3.05Å; K232-G235 PolarHBondContact O-N 3.32Å
233P96.3Very high95.7Very high100 Ų10065.2 Ų65.265%0.64934%0.341SS*.G310 helixtrans-68.9-1717923.1-31.4000114.2V230 F231V230-P233 WeakPolarHBondContact O-CD 3.46Å; F231-P233 VanDerWaalsContact C-CD 3.48Å
234Y96.4Very high95.3Very high68 Ų6869.5 Ų69.527%0.26736%0.361SS..G310 helixtrans-98.8-11.6-177.6-58.3-85.9000113.3F231 K232 M258 S261 A262 L265F231-Y234 PolarHBondContact O-N 3.02Å; K232-Y234 PolarHBondContact O-N 3.05Å; Y234-M258 WeakPolarHBondContact O-CB 3.2Å; Y234-M258 WeakPolarHBondContact O-CG 3.36Å; Y234-S261 WeakPolarHBondContact CD1-O 3.41Å; Y234-A262 HydrophobicContact CG-CB 4.24Å; Y234-L265 HydrophobicContact CD2-CD1 3.66Å; Y234-L265 HydrophobicContact CD2-CD2 4.31Å; Y234-L265 HydrophobicContact CD2-CG 4.07Å; Y234-L265 HydrophobicContact CE1-CD2 4.4Å; Y234-L265 HydrophobicContact CE1-CG 4.28Å; Y234-L265 HydrophobicContact CE2-CD1 3.57Å; Y234-L265 HydrophobicContact CE2-CD2 3.37Å; Y234-L265 HydrophobicContact CE2-CG 3.57Å; Y234-L265 HydrophobicContact CG-CD1 4.4Å; Y234-L265 VanDerWaalsContact CZ-CD2 3.41Å; Y234-L265 WeakPolarHBondContact OH-CD2 3.45Å
235G95.5Very high95Very high17 Ų1768.1 Ų68.118%0.17536%0.361CS..  trans154.9-175.2174.700000114.8F231 K232 M258F231-G235 PolarHBondContact O-N 3.15Å; K232-G235 PolarHBondContact O-N 3.32Å; G235-M258 VanDerWaalsContact CA-SD 3.57Å
236T96.6Very high94.7Very high91 Ų9166.4 Ų66.456%0.55835%0.351SS*.  trans-82.7122.6176.1-55.10000110.5A254 M258T236-A254 PolarHBondContact O-N 3.45Å; T236-M258 PolarHBondContact N-SD 2.97Å; T236-M258 VanDerWaalsContact N-SD 3.44Å
237V96.5Very high94.6Very high18 Ų1867.7 Ų67.711%0.10936%0.36CS..EExtended strand (participates in β ladder)trans-83.2119173.8-178.60000109F231 I240 V251 M253F231-V237 HydrophobicContact CB-CG2 3.84Å; V237-I240 HydrophobicContact CG1-CD1 3.94Å; V237-I240 HydrophobicContact CG1-CG1 3.52Å; V237-V251 HydrophobicContact CG1-CG1 3.7Å; V237-V251 HydrophobicContact CG2-CG1 4.13Å; V237-M253 HydrophobicContact CG2-CE 4.48Å; V237-M253 HydrophobicContact CG2-SD 4.13Å
238V95.4Very high94.6Very high98 Ų9869.7 Ų69.759%0.59437%0.369SS*.EExtended strand (participates in β ladder)trans-84-37.9179.7175.80000111.1T252 A254V238-T252 WeakPolarHBondContact CB-O 3.38Å; V238-T252 PolarHBondContact N-O 3.02Å; V238-A254 VanDerWaalsContact CG2-CA 3.48Å; V238-A254 HydrophobicContact CG2-CB 3.85Å
239R94.2Very high94.6Very high97 Ų9765.9 Ų65.937%0.36635%0.352SS..EExtended strand (participates in β ladder)trans-154.8137.1-174.4-169.8-177.2-170155.418111.6T252R239-T252 PolarHBondContact N-O 3.06Å; R239-T252 PolarHBondContact O-N 3.37Å
240I96.1Very high94.6Very high22 Ų2263.2 Ų63.211%0.11333%0.334CS..EExtended strand (participates in β ladder)trans-115.8136.3169.8-58.8169.7000108.4E224 I227 H228 V237 I242E224-I240 HydrophobicContact CG-CB 4.26Å; E224-I240 HydrophobicContact CG-CD1 3.75Å; E224-I240 HydrophobicContact CG-CG2 4.3Å; I227-I240 HydrophobicContact CB-CD1 4.03Å; I227-I240 HydrophobicContact CG2-CD1 3.69Å; I227-I240 HydrophobicContact CG2-CG1 3.99Å; I227-I240 HydrophobicContact CG2-CG2 4.36Å; H228-I240 WeakPolarHBondContact CD2-CD1 3.38Å; H228-I240 WeakPolarHBondContact NE2-CD1 3.44Å; V237-I240 HydrophobicContact CG1-CD1 3.94Å; V237-I240 HydrophobicContact CG1-CG1 3.52Å; I240-I242 HydrophobicContact CG2-CG1 4.19Å
241R94.6Very high94.6Very high99 Ų9962 Ų6237%0.37433%0.326SS..EExtended strand (participates in β ladder)trans-131110.4170.2-73.5-171.9169.4-157.5-3.9109.1A249 Y250R241-A249 CarbonylContact O-C 3.49Å; R241-A249 VanDerWaalsContact O-CA 3.27Å; R241-A249 WeakPolarHBondContact O-CA 3.32Å; R241-Y250 PolarHBondContact N-O 3.31Å; R241-Y250 PolarHBondContact O-N 3.29Å
242I95.8Very high94.5Very high73 Ų7363.5 Ų63.537%0.37434%0.335SS..EExtended strand (participates in β ladder)trans-81.9129.8176.3-56.3173.5000108.3E224 I240 A249E224-I242 HydrophobicContact CB-CD1 4.22Å; I240-I242 HydrophobicContact CG2-CG1 4.19Å; I242-A249 HydrophobicContact CG1-CB 4.44Å
243G91.4Very high94.5Very high14 Ų1456.1 Ų56.114%0.14430%0.303CS..  trans-75159.3174.300000111.7P245 S246 H248G243-P245 CarbonylContact C-O 3.1Å; G243-P245 VanDerWaalsContact C-O 3.3Å; G243-P245 CarbonylContact O-C 3.56Å; G243-S246 WeakPolarHBondContact O-CA 3.32Å; G243-S246 PolarHBondContact O-N 2.83Å; G243-H248 PolarHBondContact N-O 2.94Å
244N89Confident94.4Very high161 Ų16153.9 Ų53.986%0.86129%0.293SS*.SBendtrans-111.4120.8169.9-167.18.2000108.3
245P87.9Confident94.4Very high74 Ų7453.5 Ų53.548%0.48130%0.298SS..SBendcis-66.9159.1-1.130.9-36.1000112.5G243 N247 H248G243-P245 CarbonylContact C-O 3.1Å; G243-P245 VanDerWaalsContact C-O 3.3Å; G243-P245 CarbonylContact O-C 3.56Å; P245-N247 PolarHBondContact O-N 3.47Å; P245-H248 PolarHBondContact O-ND1 3.48Å
246S90Very high94.3Very high46 Ų4654.7 Ų54.732%0.32230%0.3SS..THydrogen-bonded Turntrans-65.330.5-177.752.30000114.8N221 I222 G243N221-S246 PolarHBondContact N-O 3.17Å; I222-S246 PolarHBondContact N-O 3.29Å; G243-S246 WeakPolarHBondContact O-CA 3.32Å; G243-S246 PolarHBondContact O-N 2.83Å
247N93.8Very high94.2Very high68 Ų6857.3 Ų57.336%0.36431%0.306SS..THydrogen-bonded Turntrans-93.6-2.1178.3-65.5-37.7000113Y219 H220 P245Y219-N247 PolarHBondContact N-O 2.96Å; Y219-N247 VanDerWaalsContact N-O 3.15Å; Y219-N247 CarbonylContact O-C 3.01Å; Y219-N247 WeakPolarHBondContact O-CA 3.35Å; H220-N247 PolarHBondContact ND1-OD1 3.38Å; P245-N247 PolarHBondContact O-N 3.47Å
248H95.3Very high94.2Very high42 Ų4259 Ų5919%0.19431%0.314CS..EExtended strand (participates in β ladder)trans-150.7154.9175.665.3-71.7000111.5Y216 V217 G243 P245 Y250Y216-H248 HydrophobicContact CD2-CB 4.4Å; Y216-H248 HydrophobicContact CE2-CB 3.5Å; Y216-H248 VanDerWaalsContact CE2-CB 3.5Å; Y216-H248 AromaticContact CE2-CD2 3.86Å; Y216-H248 AromaticContact CE2-CG 3.92Å; V217-H248 CarbonylContact O-C 3.46Å; V217-H248 WeakPolarHBondContact O-CA 3.37Å; G243-H248 PolarHBondContact N-O 2.94Å; P245-H248 PolarHBondContact O-ND1 3.48Å; H248-Y250 AromaticContact CD2-CE2 3.61Å; H248-Y250 AromaticContact NE2-CE2 3.93Å
249A96.4Very high94.2Very high0 Ų054.4 Ų54.40%029%0.285CS..EExtended strand (participates in β ladder)trans-137.8157.6171.800000110.5V217 I222 I227 R241 I242V217-A249 PolarHBondContact N-O 3.05Å; V217-A249 PolarHBondContact O-N 3.04Å; I222-A249 HydrophobicContact CD1-CB 4.14Å; I222-A249 HydrophobicContact CG2-CB 3.92Å; I227-A249 HydrophobicContact CD1-CB 4.46Å; I227-A249 HydrophobicContact CG1-CB 4.44Å; R241-A249 CarbonylContact O-C 3.49Å; R241-A249 VanDerWaalsContact O-CA 3.27Å; R241-A249 WeakPolarHBondContact O-CA 3.32Å; I242-A249 HydrophobicContact CG1-CB 4.44Å
250Y95.9Very high94.2Very high58 Ų5854.7 Ų54.723%0.22729%0.291CS..EExtended strand (participates in β ladder)trans-114.2124.2170.9-62.9-83.7000109L215 Y216 R241 H248 A280 F284L215-Y250 CarbonylContact O-C 3.53Å; L215-Y250 VanDerWaalsContact O-CA 3.27Å; L215-Y250 WeakPolarHBondContact O-CA 3.12Å; Y216-Y250 HydrophobicContact CD2-CD1 4.27Å; Y216-Y250 AromaticContact CD2-CE1 3.69Å; Y216-Y250 HydrophobicContact CD2-CE1 3.69Å; Y216-Y250 AromaticContact CD2-CZ 3.94Å; Y216-Y250 HydrophobicContact CG-CE1 4.44Å; R241-Y250 PolarHBondContact N-O 3.31Å; R241-Y250 PolarHBondContact O-N 3.29Å; H248-Y250 AromaticContact CD2-CE2 3.61Å; H248-Y250 AromaticContact NE2-CE2 3.93Å; Y250-A280 HydrophobicContact CD1-CB 4.02Å; Y250-A280 HydrophobicContact CE1-CB 4.24Å; Y250-F284 AromaticContact CD1-CE2 3.41Å; Y250-F284 HydrophobicContact CD1-CE2 3.41Å; Y250-F284 VanDerWaalsContact CD1-CE2 3.41Å; Y250-F284 AromaticContact CD1-CZ 3.9Å; Y250-F284 HydrophobicContact CD1-CZ 3.9Å; Y250-F284 AromaticContact CD2-CE2 3.64Å; Y250-F284 HydrophobicContact CD2-CE2 3.64Å; Y250-F284 AromaticContact CD2-CZ 3.46Å; Y250-F284 HydrophobicContact CD2-CZ 3.46Å; Y250-F284 VanDerWaalsContact CD2-CZ 3.46Å; Y250-F284 AromaticContact CE1-CE2 3.8Å; Y250-F284 HydrophobicContact CE1-CE2 3.8Å; Y250-F284 AromaticContact CE1-CZ 3.9Å; Y250-F284 HydrophobicContact CE1-CZ 3.9Å; Y250-F284 HydrophobicContact CE2-CE2 4.05Å; Y250-F284 AromaticContact CE2-CZ 3.51Å; Y250-F284 HydrophobicContact CE2-CZ 3.51Å; Y250-F284 HydrophobicContact CG-CD2 4.42Å; Y250-F284 AromaticContact CG-CE2 3.27Å; Y250-F284 HydrophobicContact CG-CE2 3.27Å; Y250-F284 AromaticContact CG-CZ 3.64Å; Y250-F284 HydrophobicContact CG-CZ 3.64Å; Y250-F284 AromaticContact CZ-CZ 3.71Å
251V96.2Very high94.3Very high0 Ų055.9 Ų55.90%030%0.302CS..EExtended strand (participates in β ladder)trans-119114.9-172.6-173.70000108.2T214 L215 V217 I227 F231 V237 M253T214-V251 CarbonylContact C-O 3.3Å; T214-V251 VanDerWaalsContact CA-O 3.3Å; T214-V251 WeakPolarHBondContact CA-O 3.4Å; L215-V251 PolarHBondContact N-O 2.99Å; L215-V251 PolarHBondContact O-N 2.92Å; V217-V251 HydrophobicContact CG2-CB 4.43Å; V217-V251 HydrophobicContact CG2-CG2 3.66Å; I227-V251 HydrophobicContact CG2-CB 4.48Å; I227-V251 HydrophobicContact CG2-CG1 4.17Å; I227-V251 HydrophobicContact CG2-CG2 3.46Å; I227-V251 VanDerWaalsContact CG2-CG2 3.46Å; F231-V251 HydrophobicContact CD1-CG1 4.49Å; V237-V251 HydrophobicContact CG1-CG1 3.7Å; V237-V251 HydrophobicContact CG2-CG1 4.13Å; V251-M253 HydrophobicContact CG1-SD 3.96Å
252T95.3Very high94.4Very high31 Ų3151.2 Ų51.219%0.1928%0.284CS..EExtended strand (participates in β ladder)trans-94.9116.1175.3-55.70000109T214 V238 R239T214-T252 PolarHBondContact OG1-OG1 3.31Å; V238-T252 WeakPolarHBondContact CB-O 3.38Å; V238-T252 PolarHBondContact N-O 3.02Å; R239-T252 PolarHBondContact N-O 3.06Å; R239-T252 PolarHBondContact O-N 3.37Å
253M95.8Very high94.4Very high2 Ų250.5 Ų50.51%0.0128%0.281CS..EExtended strand (participates in β ladder)trans-82157.6174.4-55.3-56.3-71.900110.9S213 L215 F231 V237 V251 M258 A259S213-M253 WeakPolarHBondContact CB-O 3.45Å; S213-M253 PolarHBondContact O-N 2.9Å; L215-M253 HydrophobicContact CD1-CG 4.19Å; F231-M253 HydrophobicContact CD1-SD 4.23Å; V237-M253 HydrophobicContact CG2-CE 4.48Å; V237-M253 HydrophobicContact CG2-SD 4.13Å; V251-M253 HydrophobicContact CG1-SD 3.96Å; M253-M258 HydrophobicContact CB-CB 4.21Å; M253-M258 HydrophobicContact CE-CB 4.06Å; M253-A259 HydrophobicContact CB-CB 4.16Å; M253-A259 HydrophobicContact CG-CB 3.96Å
254A94.9Very high94.6Very high52 Ų5257.8 Ų57.843%0.4331%0.308SS..SBendtrans-65.5-39.8177.900000113.1T236 V238 M258T236-A254 PolarHBondContact O-N 3.45Å; V238-A254 VanDerWaalsContact CG2-CA 3.48Å; V238-A254 HydrophobicContact CG2-CB 3.85Å; A254-M258 HydrophobicContact CB-SD 4.07Å
255T95Very high94.9Very high60 Ų6050.2 Ų50.237%0.36827%0.268SS..SBendtrans-128158-179.969.40000111.5Q257 M258 A259T255-Q257 VanDerWaalsContact C-N 3.34Å; T255-M258 HydrophobicContact CG2-SD 4.47Å; T255-M258 PolarHBondContact O-N 3.49Å; T255-M258 WeakPolarHBondContact OG1-CB 3.34Å; T255-M258 WeakPolarHBondContact OG1-CG 3.46Å; T255-M258 PolarHBondContact OG1-N 3.5Å; T255-A259 PolarHBondContact O-N 2.88Å
256N93.4Very high95.3Very high42 Ų4249.2 Ų49.223%0.22526%0.259CS..Hα-helixtrans-67.7-34.2175.6-178.8-98.5000112.3H212 M258 A259 Q260H212-N256 PolarHBondContact O-ND2 3Å; H212-N256 VanDerWaalsContact O-ND2 3.14Å; N256-M258 VanDerWaalsContact C-N 3.35Å; N256-M258 PolarHBondContact O-N 3Å; N256-A259 WeakPolarHBondContact O-CB 3.43Å; N256-A259 PolarHBondContact O-N 3.3Å; N256-A259 VanDerWaalsContact O-N 3.14Å; N256-Q260 PolarHBondContact O-N 3.33Å
257Q95.1Very high95.6Very high146 Ų14653 Ų5368%0.68227%0.271SS*.Hα-helixtrans-62.1-40.5174.7-68.7-179.1-13.100112.1T255 A259 Q260 S261T255-Q257 VanDerWaalsContact C-N 3.34Å; Q257-A259 VanDerWaalsContact C-N 3.33Å; Q257-A259 PolarHBondContact O-N 3.21Å; Q257-Q260 PolarHBondContact O-N 2.9Å; Q257-S261 PolarHBondContact O-N 3.46Å; Q257-S261 PolarHBondContact O-OG 2.79Å
258M95.9Very high95.7Very high55 Ų5554 Ų5427%0.27127%0.273SS..Hα-helixtrans-63.1-39.9172.9-72.4172.2-178.800111.7Y234 G235 T236 M253 A254 T255 N256 S261 A262Y234-M258 WeakPolarHBondContact O-CB 3.2Å; Y234-M258 WeakPolarHBondContact O-CG 3.36Å; G235-M258 VanDerWaalsContact CA-SD 3.57Å; T236-M258 PolarHBondContact N-SD 2.97Å; T236-M258 VanDerWaalsContact N-SD 3.44Å; M253-M258 HydrophobicContact CB-CB 4.21Å; M253-M258 HydrophobicContact CE-CB 4.06Å; A254-M258 HydrophobicContact CB-SD 4.07Å; T255-M258 HydrophobicContact CG2-SD 4.47Å; T255-M258 PolarHBondContact O-N 3.49Å; T255-M258 WeakPolarHBondContact OG1-CB 3.34Å; T255-M258 WeakPolarHBondContact OG1-CG 3.46Å; T255-M258 PolarHBondContact OG1-N 3.5Å; N256-M258 VanDerWaalsContact C-N 3.35Å; N256-M258 PolarHBondContact O-N 3Å; M258-S261 PolarHBondContact O-N 3.44Å; M258-A262 WeakPolarHBondContact O-CB 3.45Å; M258-A262 PolarHBondContact O-N 3.46Å
259A95.8Very high95.6Very high0 Ų057.1 Ų57.10%029%0.289CS..Hα-helixtrans-64.4-38.917600000112.6L215 M253 T255 N256 Q257 A262 L263 Y279L215-A259 HydrophobicContact CD1-CB 4.46Å; L215-A259 HydrophobicContact CD2-CB 4.25Å; L215-A259 HydrophobicContact CG-CB 4.36Å; M253-A259 HydrophobicContact CB-CB 4.16Å; M253-A259 HydrophobicContact CG-CB 3.96Å; T255-A259 PolarHBondContact O-N 2.88Å; N256-A259 WeakPolarHBondContact O-CB 3.43Å; N256-A259 PolarHBondContact O-N 3.3Å; N256-A259 VanDerWaalsContact O-N 3.14Å; Q257-A259 VanDerWaalsContact C-N 3.33Å; Q257-A259 PolarHBondContact O-N 3.21Å; A259-A262 PolarHBondContact O-N 2.94Å; A259-L263 PolarHBondContact O-N 3.43Å; A259-L263 VanDerWaalsContact O-N 3.08Å; A259-Y279 HydrophobicContact CB-CE1 4.49Å
260Q95.4Very high95.4Very high103 Ų10358.3 Ų58.348%0.48130%0.297SS..Hα-helixtrans-63.7-44.7173.7-75.2176.9-1600111.9N256 Q257 A262 L263 Y279N256-Q260 PolarHBondContact O-N 3.33Å; Q257-Q260 PolarHBondContact O-N 2.9Å; Q260-A262 VanDerWaalsContact C-N 3.33Å; Q260-A262 PolarHBondContact O-N 2.89Å; Q260-L263 VanDerWaalsContact O-CB 3.26Å; Q260-L263 WeakPolarHBondContact O-CB 3.46Å; Q260-L263 PolarHBondContact O-N 2.85Å; Q260-Y279 WeakPolarHBondContact CG-OH 3.43Å
261S96.5Very high95.2Very high48 Ų4860 Ų6034%0.33632%0.316SS..Hα-helixtrans-61.3-42.4175.7-68.70000112Y234 Q257 M258 L263 K264Y234-S261 WeakPolarHBondContact CD1-O 3.41Å; Q257-S261 PolarHBondContact O-N 3.46Å; Q257-S261 PolarHBondContact O-OG 2.79Å; M258-S261 PolarHBondContact O-N 3.44Å; S261-L263 PolarHBondContact O-N 3.31Å; S261-K264 VanDerWaalsContact O-CB 3.32Å; S261-K264 WeakPolarHBondContact O-CB 3.34Å; S261-K264 WeakPolarHBondContact O-CG 3.32Å; S261-K264 PolarHBondContact O-N 2.94Å
262A96.8Very high95Very high0 Ų067.3 Ų67.30%036%0.356CS..Hα-helixtrans-68.9-19.7177.400000113.5L215 F231 Y234 M258 A259 Q260 K264 L265L215-A262 HydrophobicContact CD1-CB 3.67Å; F231-A262 HydrophobicContact CD1-CB 3.78Å; F231-A262 HydrophobicContact CE1-CB 3.83Å; Y234-A262 HydrophobicContact CG-CB 4.24Å; M258-A262 WeakPolarHBondContact O-CB 3.45Å; M258-A262 PolarHBondContact O-N 3.46Å; A259-A262 PolarHBondContact O-N 2.94Å; Q260-A262 VanDerWaalsContact C-N 3.33Å; Q260-A262 PolarHBondContact O-N 2.89Å; A262-K264 PolarHBondContact O-N 3.3Å; A262-L265 VanDerWaalsContact O-CB 3.22Å; A262-L265 WeakPolarHBondContact O-CB 3.45Å; A262-L265 WeakPolarHBondContact O-CG 3.42Å; A262-L265 PolarHBondContact O-N 3.21Å
263L96.1Very high95Very high59 Ų5972.1 Ų72.131%0.30937%0.37SS..Hα-helixtrans-64.7-23.1173.7-15882.6000112.1L215 A259 Q260 S261 L265 D266 Y279L215-L263 HydrophobicContact CD2-CD1 4.27Å; A259-L263 PolarHBondContact O-N 3.43Å; A259-L263 VanDerWaalsContact O-N 3.08Å; Q260-L263 VanDerWaalsContact O-CB 3.26Å; Q260-L263 WeakPolarHBondContact O-CB 3.46Å; Q260-L263 PolarHBondContact O-N 2.85Å; S261-L263 PolarHBondContact O-N 3.31Å; L263-L265 PolarHBondContact O-N 2.99Å; L263-L265 VanDerWaalsContact O-N 3.15Å; L263-D266 WeakPolarHBondContact O-CB 3.41Å; L263-D266 PolarHBondContact O-N 2.89Å; L263-Y279 HydrophobicContact CD1-CD2 4.23Å; L263-Y279 HydrophobicContact CD1-CE2 4.11Å; L263-Y279 HydrophobicContact CD2-CE2 4.05Å
264K95.5Very high94.9Very high167 Ų16776.8 Ų76.873%0.72640%0.395SS*.THydrogen-bonded Turntrans-64.5-14.3175.2-60.1178.7-179.7-1800113.3S261 A262S261-K264 VanDerWaalsContact O-CB 3.32Å; S261-K264 WeakPolarHBondContact O-CB 3.34Å; S261-K264 WeakPolarHBondContact O-CG 3.32Å; S261-K264 PolarHBondContact O-N 2.94Å; A262-K264 PolarHBondContact O-N 3.3Å
265L95.5Very high95Very high1 Ų174.4 Ų74.41%0.00538%0.375CS..THydrogen-bonded Turntrans-75.5-11.4173.5-69.4175.5000113.4V230 F231 Y234 A262 L263 H267 Q268 L275 V277V230-L265 HydrophobicContact CG1-CD1 3.88Å; F231-L265 HydrophobicContact CD1-CD1 4.15Å; F231-L265 HydrophobicContact CE1-CD1 3.95Å; F231-L265 HydrophobicContact CE2-CD1 4.41Å; F231-L265 HydrophobicContact CG-CD1 4.46Å; F231-L265 HydrophobicContact CZ-CD1 4.08Å; Y234-L265 HydrophobicContact CD2-CD1 3.66Å; Y234-L265 HydrophobicContact CD2-CD2 4.31Å; Y234-L265 HydrophobicContact CD2-CG 4.07Å; Y234-L265 HydrophobicContact CE1-CD2 4.4Å; Y234-L265 HydrophobicContact CE1-CG 4.28Å; Y234-L265 HydrophobicContact CE2-CD1 3.57Å; Y234-L265 HydrophobicContact CE2-CD2 3.37Å; Y234-L265 HydrophobicContact CE2-CG 3.57Å; Y234-L265 HydrophobicContact CG-CD1 4.4Å; Y234-L265 VanDerWaalsContact CZ-CD2 3.41Å; Y234-L265 WeakPolarHBondContact OH-CD2 3.45Å; A262-L265 VanDerWaalsContact O-CB 3.22Å; A262-L265 WeakPolarHBondContact O-CB 3.45Å; A262-L265 WeakPolarHBondContact O-CG 3.42Å; A262-L265 PolarHBondContact O-N 3.21Å; L263-L265 PolarHBondContact O-N 2.99Å; L263-L265 VanDerWaalsContact O-N 3.15Å; L265-H267 PolarHBondContact O-N 3.05Å; L265-Q268 WeakPolarHBondContact O-CB 3.48Å; L265-Q268 PolarHBondContact O-N 3.37Å; L265-L275 HydrophobicContact CB-CD2 4.24Å; L265-V277 HydrophobicContact CB-CG2 3.98Å
266D96.9Very high95.1Very high54 Ų5478.5 Ų78.529%0.28938%0.384SS..THydrogen-bonded Turntrans-59.6132.7178.2-163.929.9000109.9L263 Q268 R276 V277L263-D266 WeakPolarHBondContact O-CB 3.41Å; L263-D266 PolarHBondContact O-N 2.89Å; D266-Q268 PolarHBondContact O-N 3.27Å; D266-R276 WeakPolarHBondContact OD1-CA 3.32Å; D266-V277 HydrophobicContact CB-CB 4.16Å; D266-V277 WeakPolarHBondContact CB-O 3.28Å; D266-V277 PolarHBondContact OD1-N 3.31Å
267H96Very high95.2Very high126 Ų12676.5 Ų76.558%0.58337%0.373SS*.THydrogen-bonded Turntrans64.416-173.9-55.9-79.9000115.8L265 L274 L275L265-H267 PolarHBondContact O-N 3.05Å; H267-L274 WeakPolarHBondContact O-CD2 3.24Å; H267-L275 WeakPolarHBondContact CA-O 3.11Å; H267-L275 PolarHBondContact N-O 3.17Å
268Q95.5Very high95.3Very high89 Ų8971.3 Ų71.342%0.41635%0.353SS..  trans-72.5138.3170.9-167.7175.410.400111.3L265 D266 V270 L275L265-Q268 WeakPolarHBondContact O-CB 3.48Å; L265-Q268 PolarHBondContact O-N 3.37Å; D266-Q268 PolarHBondContact O-N 3.27Å; Q268-V270 PolarHBondContact O-N 2.91Å; Q268-L275 PolarHBondContact O-N 3.47Å
269M94.2Very high95.3Very high107 Ų10772.2 Ų72.253%0.52735%0.354SS..EExtended strand (participates in β ladder)trans-72.8112.5171.4-75-59.3-46.500110.9R273 L274M269-R273 VanDerWaalsContact CE-N 3.3Å; M269-L274 HydrophobicContact CG-CD2 4.02Å; M269-L274 HydrophobicContact SD-CD2 3.37Å; M269-L274 WeakPolarHBondContact SD-CD2 3.06Å; M269-L274 HydrophobicContact SD-CG 3.72Å
270V92.7Very high95.2Very high25 Ų2572.4 Ų72.415%0.15236%0.355CS..EExtended strand (participates in β ladder)trans-125.2124.8173.8-173.20000108.1Y219 F226 Q268 N272 R273 L275Y219-V270 HydrophobicContact CE2-CB 4.33Å; Y219-V270 PolarHBondContact OH-O 2.99Å; F226-V270 HydrophobicContact CE2-CG1 3.53Å; F226-V270 HydrophobicContact CZ-CB 4.44Å; F226-V270 HydrophobicContact CZ-CG1 3.63Å; Q268-V270 PolarHBondContact O-N 2.91Å; V270-N272 VanDerWaalsContact C-N 3.29Å; V270-N272 PolarHBondContact O-N 3.28Å; V270-R273 PolarHBondContact N-O 3.28Å; V270-R273 PolarHBondContact O-N 3.31Å; V270-L275 HydrophobicContact CG2-CB 4.3Å
271S90.2Very high94.8Very high92 Ų9279 Ų7964%0.64338%0.375SS*.THydrogen-bonded Turntrans4548.2-176.3-40.30000114.3Y219 R273Y219-S271 WeakPolarHBondContact OH-CB 3.35Å; S271-R273 PolarHBondContact O-N 3.41Å
272N92.9Very high93.6Very high155 Ų15586.3 Ų86.383%0.82940%0.396SS*.THydrogen-bonded Turntrans61.823.1-178.9-57.5-18.3000114.8V270V270-N272 VanDerWaalsContact C-N 3.29Å; V270-N272 PolarHBondContact O-N 3.28Å
273R94.1Very high91.8Very high131 Ų13188.7 Ų88.749%0.49441%0.411SS..EExtended strand (participates in β ladder)trans-134.2150.1172.2-62.9-177.6-174.2-152.53.8110.8Y219 H220 M269 V270 S271Y219-R273 HydrophobicContact CD2-CB 4.49Å; Y219-R273 HydrophobicContact CE2-CB 3.67Å; H220-R273 PolarHBondContact CD2-NH1 3.03Å; M269-R273 VanDerWaalsContact CE-N 3.3Å; V270-R273 PolarHBondContact N-O 3.28Å; V270-R273 PolarHBondContact O-N 3.31Å; S271-R273 PolarHBondContact O-N 3.41Å
274L95.2Very high90.1Very high101 Ų10189.5 Ų89.553%0.52941%0.412SS..EExtended strand (participates in β ladder)trans-78.4124.6175.9-67.5166.9000109.7H267 M269H267-L274 WeakPolarHBondContact O-CD2 3.24Å; M269-L274 HydrophobicContact CG-CD2 4.02Å; M269-L274 HydrophobicContact SD-CD2 3.37Å; M269-L274 WeakPolarHBondContact SD-CD2 3.06Å; M269-L274 HydrophobicContact SD-CG 3.72Å
275L96.3Very high88.2Confident1 Ų189.2 Ų89.21%0.00541%0.413CS..  trans-74.8133.3168.6-172.563.4000109V217 Y219 V230 L265 H267 Q268 V270 V277V217-L275 HydrophobicContact CG1-CD1 3.52Å; V217-L275 HydrophobicContact CG1-CG 4.35Å; Y219-L275 HydrophobicContact CD2-CD1 3.9Å; Y219-L275 HydrophobicContact CG-CD1 4.07Å; V230-L275 HydrophobicContact CG1-CD2 3.95Å; L265-L275 HydrophobicContact CB-CD2 4.24Å; H267-L275 WeakPolarHBondContact CA-O 3.11Å; H267-L275 PolarHBondContact N-O 3.17Å; Q268-L275 PolarHBondContact O-N 3.47Å; V270-L275 HydrophobicContact CG2-CB 4.3Å; L275-V277 HydrophobicContact CD2-CG2 3.81Å; L275-V277 HydrophobicContact CG-CG2 3.79Å
276R97Very high86.3Confident147 Ų14793.5 Ų93.556%0.55544%0.439SS*.EExtended strand (participates in β ladder)trans-107.2119.2172.8-175.3178173.3-176.71.1109.9V217 G218 D266V217-R276 CarbonylContact C-O 3.51Å; V217-R276 VanDerWaalsContact CA-O 3.32Å; V217-R276 WeakPolarHBondContact CA-O 3.33Å; G218-R276 PolarHBondContact N-O 3.19Å; G218-R276 PolarHBondContact O-N 3.08Å; D266-R276 WeakPolarHBondContact OD1-CA 3.32Å
277V96.8Very high84.6Confident0 Ų098.8 Ų98.80%046%0.46CS..EExtended strand (participates in β ladder)trans-123.8125.3179.9-171.70000109.3L215 Y216 F231 L265 D266 L275L215-V277 HydrophobicContact CB-CG1 4.33Å; L215-V277 HydrophobicContact CD1-CG1 4.14Å; L215-V277 HydrophobicContact CD2-CG1 4.5Å; Y216-V277 WeakPolarHBondContact O-CA 3.43Å; F231-V277 HydrophobicContact CE1-CG1 4.42Å; F231-V277 HydrophobicContact CZ-CG1 4.35Å; F231-V277 HydrophobicContact CZ-CG2 4.15Å; L265-V277 HydrophobicContact CB-CG2 3.98Å; D266-V277 HydrophobicContact CB-CB 4.16Å; D266-V277 WeakPolarHBondContact CB-O 3.28Å; D266-V277 PolarHBondContact OD1-N 3.31Å; L275-V277 HydrophobicContact CD2-CG2 3.81Å; L275-V277 HydrophobicContact CG-CG2 3.79Å
278S96.1Very high82.8Confident37 Ų3798 Ų9826%0.25947%0.466SS..EExtended strand (participates in β ladder)trans-147.2164.2177.157.80000110.7L215 Y216 A280L215-S278 CarbonylContact C-O 3.52Å; L215-S278 WeakPolarHBondContact CA-O 3.37Å; Y216-S278 PolarHBondContact N-O 3.22Å; Y216-S278 PolarHBondContact O-N 2.92Å; S278-A280 PolarHBondContact O-N 3.38Å
279Y95.7Very high80.6Confident74 Ų74102.3 Ų102.329%0.2948%0.483SS..EExtended strand (participates in β ladder)trans-62.9137.3171.1-72-70.2000111.7H212 L215 A259 Q260 L263 R281H212-Y279 HydrophobicContact CB-CD1 3.72Å; H212-Y279 HydrophobicContact CB-CE1 4.26Å; H212-Y279 HydrophobicContact CB-CG 4.46Å; H212-Y279 WeakPolarHBondContact O-CE1 3.19Å; L215-Y279 HydrophobicContact CD2-CD1 3.97Å; L215-Y279 HydrophobicContact CD2-CE1 4.09Å; A259-Y279 HydrophobicContact CB-CE1 4.49Å; Q260-Y279 WeakPolarHBondContact CG-OH 3.43Å; L263-Y279 HydrophobicContact CD1-CD2 4.23Å; L263-Y279 HydrophobicContact CD1-CE2 4.11Å; L263-Y279 HydrophobicContact CD2-CE2 4.05Å; Y279-R281 PolarHBondContact O-N 2.71Å; Y279-R281 VanDerWaalsContact O-N 3.14Å
280A93.5Very high78.7Confident3 Ų3101.7 Ų101.73%0.02549%0.49CS..  trans-65.3116176.400000110.1T214 Y250 S278 R282T214-A280 HydrophobicContact CG2-CB 3.88Å; T214-A280 VanDerWaalsContact O-CB 3.3Å; T214-A280 WeakPolarHBondContact O-CB 3.48Å; T214-A280 PolarHBondContact O-N 2.9Å; Y250-A280 HydrophobicContact CD1-CB 4.02Å; Y250-A280 HydrophobicContact CE1-CB 4.24Å; S278-A280 PolarHBondContact O-N 3.38Å; A280-R282 PolarHBondContact O-N 3.44Å; A280-R282 VanDerWaalsContact O-N 3.09Å
281R86.6Confident76.8Confident241 Ų241104.5 Ų104.591%0.90951%0.508SS*.SBendtrans-59.5-23.5-179.3-69.8-174.7174.3-169.6-3.4114.2Y279Y279-R281 PolarHBondContact O-N 2.71Å; Y279-R281 VanDerWaalsContact O-N 3.14Å
282R72.6Confident74.9Confident203 Ų203106 Ų10677%0.76651%0.514SS*.SBendtrans-120.9111.4175.6-64.8-175.9-174.51732.3106.6A280 F284A280-R282 PolarHBondContact O-N 3.44Å; A280-R282 VanDerWaalsContact O-N 3.09Å; R282-F284 PolarHBondContact O-N 2.89Å; R282-F284 VanDerWaalsContact O-N 3.09Å
283P59.6Low72.9Confident50 Ų50108 Ų10833%0.32552%0.515SS..  trans-56.6123163.425-30.8000105.8H285P283-H285 PolarHBondContact O-N 2.66Å
284F58.9Low70.8Confident75 Ų75113.1 Ų113.133%0.32954%0.536SS..  trans-64.5102.3166.6-67.4-81.1000105T214 Y250 R282 V286T214-F284 HydrophobicContact CG2-CD2 4.4Å; Y250-F284 AromaticContact CD1-CE2 3.41Å; Y250-F284 HydrophobicContact CD1-CE2 3.41Å; Y250-F284 VanDerWaalsContact CD1-CE2 3.41Å; Y250-F284 AromaticContact CD1-CZ 3.9Å; Y250-F284 HydrophobicContact CD1-CZ 3.9Å; Y250-F284 AromaticContact CD2-CE2 3.64Å; Y250-F284 HydrophobicContact CD2-CE2 3.64Å; Y250-F284 AromaticContact CD2-CZ 3.46Å; Y250-F284 HydrophobicContact CD2-CZ 3.46Å; Y250-F284 VanDerWaalsContact CD2-CZ 3.46Å; Y250-F284 AromaticContact CE1-CE2 3.8Å; Y250-F284 HydrophobicContact CE1-CE2 3.8Å; Y250-F284 AromaticContact CE1-CZ 3.9Å; Y250-F284 HydrophobicContact CE1-CZ 3.9Å; Y250-F284 HydrophobicContact CE2-CE2 4.05Å; Y250-F284 AromaticContact CE2-CZ 3.51Å; Y250-F284 HydrophobicContact CE2-CZ 3.51Å; Y250-F284 HydrophobicContact CG-CD2 4.42Å; Y250-F284 AromaticContact CG-CE2 3.27Å; Y250-F284 HydrophobicContact CG-CE2 3.27Å; Y250-F284 AromaticContact CG-CZ 3.64Å; Y250-F284 HydrophobicContact CG-CZ 3.64Å; Y250-F284 AromaticContact CZ-CZ 3.71Å; R282-F284 PolarHBondContact O-N 2.89Å; R282-F284 VanDerWaalsContact O-N 3.09Å; F284-V286 PolarHBondContact O-N 3.1Å
285H56.3Low68.8Low162 Ų162113 Ų11375%0.7554%0.544SS*.  trans-59.496.5160.5-68.4-77.8000105P283 K287P283-H285 PolarHBondContact O-N 2.66Å; H285-K287 PolarHBondContact O-N 2.86Å
286V56.5Low66.8Low91 Ų91118.2 Ų118.255%0.55258%0.578SS**  trans-57.3100.6154.3-177.60000102.1F284 P288F284-V286 PolarHBondContact O-N 3.1Å; V286-P288 VanDerWaalsContact O-CD 3.3Å; V286-P288 WeakPolarHBondContact O-CD 3.37Å
287K59.6Low64.7Low165 Ų165120.7 Ų120.772%0.71759%0.589SS**  trans-53.1119.8162.7-71.2-175.8179.3-178.70103.5H285 F289H285-K287 PolarHBondContact O-N 2.86Å; K287-F289 PolarHBondContact O-N 3.4Å
288P59.1Low62.5Low109 Ų109132.1 Ų132.171%0.70863%0.631SS**  trans-50.8121.8171.621.7-30.7000104.8V286 S290V286-P288 VanDerWaalsContact O-CD 3.3Å; V286-P288 WeakPolarHBondContact O-CD 3.37Å; P288-S290 PolarHBondContact O-N 3.1Å
289F48.1Very low60.4Low180 Ų180134.7 Ų134.779%0.78965%0.649SS**  trans-64.991.6174.3178.7-97.7000104.7K287 P291K287-F289 PolarHBondContact O-N 3.4Å; F289-P291 HydrophobicContact CD1-CB 4.39Å; F289-P291 HydrophobicContact CE1-CB 3.8Å; F289-P291 HydrophobicContact CE1-CG 4.33Å; F289-P291 HydrophobicContact CZ-CB 4.41Å; F289-P291 WeakPolarHBondContact O-CD 3.46Å
290S55.3Low58.4Low94 Ų94140.4 Ų140.466%0.65768%0.676SS**  trans-77103.8161.257.20000104.4P288 T292P288-S290 PolarHBondContact O-N 3.1Å; S290-T292 PolarHBondContact O-N 3.46Å
291P53.5Low56.3Low83 Ų83152.1 Ų152.154%0.53972%0.72SS.*  trans-58.8138.8162.928.1-30.7000105.5F289F289-P291 HydrophobicContact CD1-CB 4.39Å; F289-P291 HydrophobicContact CE1-CB 3.8Å; F289-P291 HydrophobicContact CE1-CG 4.33Å; F289-P291 HydrophobicContact CZ-CB 4.41Å; F289-P291 WeakPolarHBondContact O-CD 3.46Å
292T48.6Very low54.6Low125 Ų125149.5 Ų149.577%0.76772%0.715SS**  trans86.190.2170-240000115.4S290S290-T292 PolarHBondContact O-N 3.46Å
293K52.6Low53.4Low197 Ų197146 Ų14686%0.85772%0.716SS**  -177.3109119.8-92.3173.6-167.6-165.40109S295K293-S295 PolarHBondContact O-N 3.23Å
294Y49.3Very low52.7Low238 Ų238150.9 Ų150.993%0.93374%0.74SS**  trans-50.1119.4165.2-100.6-106.7000109.1
295S52.7Low52Low99 Ų99152.3 Ų152.369%0.69276%0.759SS**  trans-118.9102.6168-179.20000108.4K293 Y297K293-S295 PolarHBondContact O-N 3.23Å; S295-Y297 PolarHBondContact O-N 3.28Å
296P55.1Low51.3Low110 Ų110150.1 Ų150.171%0.71476%0.76SS**  trans-83.613.9-178.630.9-29.2000113.9
297Y52.4Low50.6Low199 Ų199153 Ų15378%0.7877%0.773SS**  trans-12473.4-179.6-75.8-85000112S295 S299S295-Y297 PolarHBondContact O-N 3.28Å; Y297-S299 PolarHBondContact O-N 3.06Å; Y297-S299 VanDerWaalsContact O-N 3.1Å
298R50.2Low49.8Very low239 Ų239149.2 Ų149.290%0.90277%0.767SS**  trans-83.970.9159-142.4177-160.6-140.90.4108.5
299S53.3Low49.3Very low91 Ų91151 Ų15164%0.63677%0.771SS**  trans-64.5142173.3-170.40000110.6Y297 R301Y297-S299 PolarHBondContact O-N 3.06Å; Y297-S299 VanDerWaalsContact O-N 3.1Å; S299-R301 PolarHBondContact O-N 3.07Å
300F51.8Low49.5Very low195 Ų195151.4 Ų151.486%0.85578%0.775SS**  trans-47.2117.1178.6-65.8-98.4000111.8K302F300-K302 VanDerWaalsContact C-N 3.33Å; F300-K302 PolarHBondContact O-N 2.93Å
301R49.6Very low49.3Very low248 Ų248156.1 Ų156.194%0.93679%0.787SS**  trans-75.792.1161.1-71.2-165.4-171.8-156.71.3108.1S299S299-R301 PolarHBondContact O-N 3.07Å
302K51Low48.7Very low187 Ų187157.8 Ų157.881%0.81380%0.797SS**  trans-67.1126149.7-97.2-178.3173.3-176.90107.5F300 D304F300-K302 VanDerWaalsContact C-N 3.33Å; F300-K302 PolarHBondContact O-N 2.93Å; K302-D304 PolarHBondContact O-N 3.01Å
303T47.1Very low48.6Very low128 Ų128156.9 Ų156.979%0.78580%0.797SS**  trans-72.7109.9166.6420000108
304D45.7Very low48.5Very low153 Ų153154.1 Ų154.182%0.81879%0.791SS**  trans-145.7108.7155.6-74.5-51.1000107K302K302-D304 PolarHBondContact O-N 3.01Å
305S44.3Very low48.5Very low106 Ų106151.6 Ų151.674%0.74179%0.785SS**  trans-112127.517552.10000108.2
306C40.5Very low48.2Very low115 Ų115154.5 Ų154.578%0.77779%0.791SS**  trans87.4100.8154.3-43.10000118.3
307N42.9Very low47.7Very low152 Ų152154.1 Ų154.181%0.81379%0.791SS**  171.897.8120.7-96.3-3.3000108.1
308S43.4Very low47.6Very low85 Ų85150.8 Ų150.859%0.59480%0.795SS**  85.5114.889.670.10000112.5
309N47.3Very low47.4Very low148 Ų148148.3 Ų148.379%0.79179%0.794SS**  trans119131.7145.1-56.4-22.5000116.2
310E52.1Low47.4Very low188 Ų188151.7 Ų151.788%0.87980%0.804SS**  trans97.593.5158.8-52.9-165.8165.800119.4
311E51.2Low47.4Very low193 Ų193149.3 Ų149.390%0.90280%0.8SS**  trans50.3140.1140.6-93.1-170.3129.400124.8
312P41.7Very low47.9Very low117 Ų117149.1 Ų149.176%0.7680%0.8SS**  trans-106146.5-173.939.3-28000113.8
313S47Very low48.7Very low107 Ų107147.2 Ų147.275%0.74880%0.799SS**  trans-154.2123.7153.944.70000114.4
314N49.2Very low49.8Very low139 Ų139149.2 Ų149.274%0.74380%0.804SS**  trans62106.4147.5-63-34000119.9
315K49.2Very low50.9Low184 Ų184147.1 Ų147.180%0.880%0.796SS**  68.1116.388.2-79.6-173.5177.5179.70113.9
316I46.5Very low52.5Low160 Ų160145.8 Ų145.882%0.82178%0.783SS**  168.3133.2116-80.8149.9000110.4
317S45.9Very low54Low103 Ų103149.7 Ų149.772%0.7278%0.783SS**  trans-75.6143.1176.950.10000113.8
318C49.6Very low55.4Low128 Ų128150 Ų15087%0.86578%0.78SS**  trans-146.1103.8154.6-64.90000110.4
319E45Very low56.9Low187 Ų187151.7 Ų151.787%0.87478%0.782SS**  trans-77.1139152.6-64.3-173.9147.200108.2
320L53.6Low58Low163 Ų163150.3 Ų150.385%0.85377%0.774SS**  trans-170.2129145.5-108.1146.9000112.2
321N52Low59.2Low145 Ų145151.4 Ų151.478%0.77577%0.772SS**  trans-50.2137.1173.6-56.2-62.5000112.2
322R60.3Low60.2Low243 Ų243146.8 Ų146.892%0.91776%0.761SS**  trans-130.9103.1161.8-76.8-172170.3173-2.7108.6
323D68.6Low61.6Low148 Ų148149.3 Ų149.379%0.79177%0.768SS**  trans-62.7147166.2-67.8-42.2000110V325D323-V325 PolarHBondContact O-N 3.42Å; D323-V325 VanDerWaalsContact O-N 3.16Å
324L69.2Low62.5Low170 Ų170157.7 Ų157.789%0.8979%0.791SS**  trans-62.5113.1176.5-99.799.1000109.6
325V70.1Confident63.2Low108 Ų108158.7 Ų158.766%0.65579%0.793SS**  trans-79.1119164.6179.10000108.1D323D323-V325 PolarHBondContact O-N 3.42Å; D323-V325 VanDerWaalsContact O-N 3.16Å
326T77.3Confident63.9Low78 Ų78157.3 Ų157.348%0.47979%0.793SS.*  trans-84.3145.8169.733.40000110.5E328 D329T326-E328 PolarHBondContact O-N 3.09Å; T326-D329 PolarHBondContact O-N 3.42Å
327Y71.6Confident64.9Low198 Ų198157.2 Ų157.278%0.77679%0.791SS**G310 helixtrans-62-9-172.8-91.7-92.2000115.4
328E73.5Confident66Low159 Ų159160.4 Ų160.474%0.74380%0.795SS**G310 helixtrans-79.4-20.4-178.3-70.3163.6176.900112.6T326 L330T326-E328 PolarHBondContact O-N 3.09Å; E328-L330 VanDerWaalsContact C-N 3.28Å; E328-L330 PolarHBondContact O-N 2.87Å
329D74.6Confident67Low119 Ų119162.4 Ų162.464%0.63679%0.791SS**G310 helixtrans-80.5-3.3-179.5-67.7-29.4000114T326T326-D329 PolarHBondContact O-N 3.42Å
330L71Confident68.5Low120 Ų120160.7 Ų160.763%0.62879%0.785SS**G310 helixtrans-92.7-1.4-176.2-69.7173.5000114.7E328E328-L330 VanDerWaalsContact C-N 3.28Å; E328-L330 PolarHBondContact O-N 2.87Å
331Y76.6Confident69.5Low211 Ų211160.6 Ų160.683%0.82778%0.781SS**SBendtrans-130.57.8-172.6-76.5-77.6000116.3
332S71.2Confident70.9Confident96 Ų96161.8 Ų161.867%0.67178%0.781SS**  trans-103.787.8174.9-60.40000109.6
333D71.6Confident71.8Confident169 Ų169155 Ų15590%0.90477%0.77SS**  trans175.4107.1141.6-87.6-17.3000110.1
334K65.9Low72Confident284 Ų284155.6 Ų155.6100%1.23577%0.768SS**  trans-133.80161.5-101.2-165.8-180-175.80108.2

Retrieved 334 of 334 residues in 238.2 ms (Link to these results)