A0A087YQ01_POEFO Loading...

UFM1-specific peptidase 1

AlphaFold DB , UniProt , Accession A0A087YQ01, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 241 aa.

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Site Residue pLDDT pLDDT confidence pLDDT10 pLDDT10 confidence SASA SASA [Ų] SASA10 SASA10 [Ų] RSA RSA unformatted RSA10 RSA10 unformatted Surface Surface10 (not used) Disorder (not used) Disorder Sec. str. Secondary structure Isomer Phi (φ) Psi (ψ) Omega (ω) Chi 1 (χ1) Chi 2 (χ2) Chi 3 (χ3) Chi 4 (χ4) Chi 5 (χ5) Tau (τ) Contacts (colored by PAE) Contact details
1M36.4Very low39.1Very low256 Ų256139.9 Ų139.9100%1.26176%0.759SS**  092.30-78.9170.5141.100106.9
2A34.6Very low39.1Very low99 Ų99133.4 Ų133.482%0.81873%0.731SS**  trans-110.4122.6170.100000105.8
3S35.8Very low39.5Very low113 Ų113134.3 Ų134.379%0.7973%0.727SS**  trans-78.2115.7176.645.30000108.8E5S3-E5 PolarHBondContact O-N 3.26Å
4D35.4Very low39.4Very low162 Ų162134.8 Ų134.887%0.86672%0.719SS**  trans-65.7112.2167.9-84-34.5000109.2N6D4-N6 PolarHBondContact O-N 3.46Å
5E40.6Very low39.2Very low172 Ų172134.3 Ų134.380%0.80471%0.711SS**  trans-71.9101.5163.3-73.4-173.8158.800108.3S3 I7S3-E5 PolarHBondContact O-N 3.26Å; E5-I7 PolarHBondContact O-N 3.24Å
6N34.6Very low39.3Very low164 Ų164134 Ų13488%0.87770%0.701SS**  trans-77.3100.1174.6-145.82.3000108.2D4 D8D4-N6 PolarHBondContact O-N 3.46Å; N6-D8 PolarHBondContact O-N 3.07Å
7I44.4Very low39.8Very low107 Ų107130.8 Ų130.855%0.54968%0.684SS.*  trans-75.9116.3176.3-59.5172.7000108.6E5 W9E5-I7 PolarHBondContact O-N 3.24Å; I7-W9 HydrophobicContact CG2-CD2 4.1Å; I7-W9 VanDerWaalsContact CG2-CE2 3.48Å; I7-W9 HydrophobicContact CG2-CG 4.28Å; I7-W9 HydrophobicContact CG2-CZ2 3.87Å; I7-W9 VanDerWaalsContact CG2-NE1 3.25Å; I7-W9 VanDerWaalsContact O-CD1 3.23Å; I7-W9 PolarHBondContact O-N 2.91Å
8D41.9Very low40Very low125 Ų125127.8 Ų127.867%0.66868%0.675SS**  trans-73.6101.3176.9178.419.3000111.2N6N6-D8 PolarHBondContact O-N 3.07Å
9W41.1Very low40.1Very low223 Ų223127.9 Ų127.985%0.84567%0.671SS**  trans-99.271.6-179.8-70.4105.7000113.3I7I7-W9 HydrophobicContact CG2-CD2 4.1Å; I7-W9 VanDerWaalsContact CG2-CE2 3.48Å; I7-W9 HydrophobicContact CG2-CG 4.28Å; I7-W9 HydrophobicContact CG2-CZ2 3.87Å; I7-W9 VanDerWaalsContact CG2-NE1 3.25Å; I7-W9 VanDerWaalsContact O-CD1 3.23Å; I7-W9 PolarHBondContact O-N 2.91Å
10G46.9Very low40.7Very low36 Ų36126.2 Ų126.237%0.37166%0.658SS.*SBendtrans98.240.5145.500000118.3
11T38.5Very low41.4Very low82 Ų82121.7 Ų121.750%0.50364%0.636SS.*Hα-helixtrans-77.3-37.5165.145.30000112.4E13 K14 E15T11-E13 PolarHBondContact O-N 3.04Å; T11-K14 PolarHBondContact O-N 3.34Å; T11-E15 PolarHBondContact O-N 3.46Å
12C38.5Very low42.3Very low62 Ų62117 Ų11742%0.41961%0.611SS.*Hα-helixtrans-64-36.3-173.8-169.80000114.9K16C12-K16 WeakPolarHBondContact O-CB 3.35Å; C12-K16 VanDerWaalsContact O-CG 3.27Å; C12-K16 WeakPolarHBondContact O-CG 3.15Å; C12-K16 PolarHBondContact O-N 3.38Å; C12-K16 VanDerWaalsContact O-N 3.11Å; C12-K16 WeakPolarHBondContact SG-CE 3.38Å; C12-K16 PolarHBondContact SG-NZ 3.34Å
13E44.3Very low44.4Very low145 Ų145115.9 Ų115.968%0.67859%0.594SS**Hα-helixtrans-74.4-38.1179.8-70.8-168.7156.100112.5T11 K16 I17T11-E13 PolarHBondContact O-N 3.04Å; E13-K16 PolarHBondContact O-N 3.41Å; E13-I17 WeakPolarHBondContact O-CB 3.11Å; E13-I17 WeakPolarHBondContact O-CD1 3.45Å; E13-I17 WeakPolarHBondContact O-CG1 3.41Å; E13-I17 PolarHBondContact O-N 3.25Å
14K38.2Very low47.1Very low141 Ų141111.2 Ų111.261%0.61356%0.56SS**Hα-helixtrans-64.9-41.4177.2-75179.9179.7172.60111.4T11 C18T11-K14 PolarHBondContact O-N 3.34Å; K14-C18 WeakPolarHBondContact O-CB 3.18Å; K14-C18 PolarHBondContact O-N 2.68Å
15E36.3Very low50Low128 Ų128105 Ų10560%0.59853%0.526SS*.Hα-helixtrans-68.4-41.1176.5-73.3178.3163.100112.3T11 C18 Q19T11-E15 PolarHBondContact O-N 3.46Å; E15-C18 PolarHBondContact O-N 2.76Å; E15-Q19 WeakPolarHBondContact O-CB 3.32Å; E15-Q19 PolarHBondContact O-N 3.17Å
16K41.8Very low52.7Low129 Ų129100.6 Ų100.656%0.56151%0.505SS*.Hα-helixtrans-64.5-38.5175.4-79.1172.3177.8167.20113.3C12 E13 K20C12-K16 WeakPolarHBondContact O-CB 3.35Å; C12-K16 VanDerWaalsContact O-CG 3.27Å; C12-K16 WeakPolarHBondContact O-CG 3.15Å; C12-K16 PolarHBondContact O-N 3.38Å; C12-K16 VanDerWaalsContact O-N 3.11Å; C12-K16 WeakPolarHBondContact SG-CE 3.38Å; C12-K16 PolarHBondContact SG-NZ 3.34Å; E13-K16 PolarHBondContact O-N 3.41Å; K16-K20 PolarHBondContact O-N 3.36Å
17I46.6Very low55.7Low80 Ų8093.8 Ų93.841%0.4147%0.469SS..Hα-helixtrans-68.5-40.5175.3-68.7166000110.1E13 K20 V21E13-I17 WeakPolarHBondContact O-CB 3.11Å; E13-I17 WeakPolarHBondContact O-CD1 3.45Å; E13-I17 WeakPolarHBondContact O-CG1 3.41Å; E13-I17 PolarHBondContact O-N 3.25Å; I17-K20 PolarHBondContact O-N 2.85Å; I17-V21 PolarHBondContact O-N 2.72Å
18C44.3Very low58.2Low76 Ų7688.7 Ų88.751%0.51444%0.442SS..Hα-helixtrans-64.9-44.8177.1-143.60000112.1K14 E15 K20 V21K14-C18 WeakPolarHBondContact O-CB 3.18Å; K14-C18 PolarHBondContact O-N 2.68Å; E15-C18 PolarHBondContact O-N 2.76Å; C18-K20 VanDerWaalsContact C-N 3.31Å; C18-K20 PolarHBondContact O-N 3.21Å; C18-V21 PolarHBondContact O-N 3.44Å
19Q41.8Very low60.9Low130 Ų13084 Ų8461%0.60742%0.417SS*.Hα-helixtrans-62.7-31.6176.3-92.1178.8-14.800113.6E15 E22E15-Q19 WeakPolarHBondContact O-CB 3.32Å; E15-Q19 PolarHBondContact O-N 3.17Å; Q19-E22 PolarHBondContact O-N 3.19Å
20K52.6Low63.5Low93 Ų9376 Ų7640%0.40439%0.394SS..Hα-helixtrans-70.7-35.1177.9-95.4-177.6173.8-177.70113K16 I17 C18 E22 T23K16-K20 PolarHBondContact O-N 3.36Å; I17-K20 PolarHBondContact O-N 2.85Å; C18-K20 VanDerWaalsContact C-N 3.31Å; C18-K20 PolarHBondContact O-N 3.21Å; K20-E22 PolarHBondContact O-N 3.09Å; K20-T23 PolarHBondContact O-N 3.31Å; K20-T23 VanDerWaalsContact O-N 3.11Å; K20-T23 PolarHBondContact O-OG1 3.23Å
21V54.1Low65.8Low32 Ų3277.8 Ų77.819%0.19441%0.413CS..Hα-helixtrans-65.3-29.2178.2-178.40000111.6I17 C18 T23 L24 L50 F52 I91I17-V21 PolarHBondContact O-N 2.72Å; C18-V21 PolarHBondContact O-N 3.44Å; V21-T23 PolarHBondContact O-N 3.35Å; V21-L24 HydrophobicContact CG1-CD1 4.33Å; V21-L24 PolarHBondContact O-N 2.78Å; V21-L50 HydrophobicContact CG1-CD1 4.12Å; V21-F52 HydrophobicContact CG1-CZ 4.21Å; V21-I91 HydrophobicContact CG1-CB 4.4Å; V21-I91 HydrophobicContact CG1-CD1 3.93Å
22E55.3Low68.5Low158 Ų15875.6 Ų75.674%0.73840%0.398SS*.THydrogen-bonded Turntrans-66.1-13.4174.9-66.9-175.7158.500113.8Q19 K20Q19-E22 PolarHBondContact O-N 3.19Å; K20-E22 PolarHBondContact O-N 3.09Å
23T79.2Confident71.1Confident75 Ų7577.2 Ų77.246%0.4641%0.407SS..THydrogen-bonded Turntrans-93.4-6.3178.763.70000114.1K20 V21 Q203K20-T23 PolarHBondContact O-N 3.31Å; K20-T23 VanDerWaalsContact O-N 3.11Å; K20-T23 PolarHBondContact O-OG1 3.23Å; V21-T23 PolarHBondContact O-N 3.35Å; T23-Q203 PolarHBondContact O-NE2 2.87Å
24L93.6Very high73.4Confident16 Ų1675.5 Ų75.58%0.08440%0.403CS..SBendtrans-69.2142.2-178.2-63178.8000111.9V21 K26 L50 F52 C56V21-L24 HydrophobicContact CG1-CD1 4.33Å; V21-L24 PolarHBondContact O-N 2.78Å; L24-K26 PolarHBondContact O-N 3.28Å; L24-L50 HydrophobicContact CB-CB 4.13Å; L24-L50 HydrophobicContact CB-CD1 4.42Å; L24-L50 HydrophobicContact CD1-CB 4.3Å; L24-L50 HydrophobicContact CD1-CD1 4.44Å; L24-F52 HydrophobicContact CD1-CD1 3.67Å; L24-F52 HydrophobicContact CD1-CD2 3.84Å; L24-F52 HydrophobicContact CD1-CE1 3.44Å; L24-F52 VanDerWaalsContact CD1-CE1 3.44Å; L24-F52 HydrophobicContact CD1-CE2 3.61Å; L24-F52 HydrophobicContact CD1-CG 3.88Å; L24-F52 HydrophobicContact CD1-CZ 3.41Å; L24-F52 VanDerWaalsContact CD1-CZ 3.41Å; L24-C56 HydrophobicContact CD2-CB 3.78Å
25L96.1Very high76Confident30 Ų3070.4 Ų70.416%0.15738%0.384CS..PPolyproline II helixtrans-71.2126.3177.8-64.9179.6000110.8V28 Y51 L204 K206 L209L25-V28 HydrophobicContact CB-CG1 3.42Å; L25-V28 VanDerWaalsContact CB-CG1 3.42Å; L25-V28 HydrophobicContact CD1-CG1 4.06Å; L25-V28 HydrophobicContact CG-CG1 4.41Å; L25-Y51 PolarHBondContact O-N 2.83Å; L25-L204 WeakPolarHBondContact CD1-O 3.49Å; L25-K206 HydrophobicContact CD1-CG 4.14Å; L25-L209 HydrophobicContact CD1-CD1 3.49Å; L25-L209 VanDerWaalsContact CD1-CD1 3.49Å
26K96.5Very high78.6Confident80 Ų8066 Ų6635%0.34836%0.364SS..BIsolated β-bridgetrans-82.3139.6172178.8178.7-88-164.30111L24 V28 D48 Y49 L50 K206L24-K26 PolarHBondContact O-N 3.28Å; K26-V28 PolarHBondContact O-N 3.07Å; K26-D48 HydrophobicContact CD-CB 3.89Å; K26-D48 WeakPolarHBondContact CE-OD2 3.34Å; K26-D48 HydrophobicContact CG-CB 4.3Å; K26-D48 IonicContact NZ-OD2 2.72Å; K26-D48 PolarHBondContact NZ-OD2 3.42Å; K26-Y49 CarbonylContact C-O 3.53Å; K26-Y49 VanDerWaalsContact CA-O 3.25Å; K26-Y49 WeakPolarHBondContact CA-O 3.45Å; K26-L50 HydrophobicContact CB-CD2 4.01Å; K26-K206 WeakPolarHBondContact O-CE 3.29Å; K26-K206 PolarHBondContact O-NZ 3.38Å
27N97.8Very high80.6Confident22 Ų2266.5 Ų66.512%0.11838%0.379CS..  trans46.559.7171.5-54.1-16.5000113.3H29 S30 D48 Y49 K206N27-H29 PolarHBondContact O-N 3.45Å; N27-S30 WeakPolarHBondContact CB-OG 3.46Å; N27-S30 WeakPolarHBondContact O-CB 3.28Å; N27-S30 PolarHBondContact O-N 3.36Å; N27-S30 VanDerWaalsContact O-N 3.11Å; N27-S30 PolarHBondContact O-OG 3.08Å; N27-D48 PolarHBondContact ND2-OD1 3.49Å; N27-D48 WeakPolarHBondContact OD1-CA 3.47Å; N27-Y49 HydrophobicContact CB-CE1 4.32Å; N27-Y49 PolarHBondContact N-O 3.41Å; N27-Y49 WeakPolarHBondContact OD1-CD1 3.25Å; N27-Y49 PolarHBondContact OD1-N 3.26Å; N27-Y49 PolarHBondContact OD1-O 2.89Å; N27-K206 PolarHBondContact O-NZ 2.73Å
28V97.8Very high82.3Confident0 Ų069.5 Ų69.50%040%0.396CS..THydrogen-bonded Turntrans-65.1-14.5-178.2-670000113.9L25 K26 Y49 Y51 V195 K206 L209 Q210 V215L25-V28 HydrophobicContact CB-CG1 3.42Å; L25-V28 VanDerWaalsContact CB-CG1 3.42Å; L25-V28 HydrophobicContact CD1-CG1 4.06Å; L25-V28 HydrophobicContact CG-CG1 4.41Å; K26-V28 PolarHBondContact O-N 3.07Å; V28-Y49 HydrophobicContact CG2-CE2 4.06Å; V28-Y49 WeakPolarHBondContact CG2-OH 3.43Å; V28-Y49 PolarHBondContact N-OH 2.78Å; V28-Y49 VanDerWaalsContact N-OH 3.09Å; V28-Y51 HydrophobicContact CG1-CD1 4.03Å; V28-Y51 HydrophobicContact CG1-CG 4.01Å; V28-Y51 HydrophobicContact CG2-CD2 4.27Å; V28-Y51 HydrophobicContact CG2-CG 3.98Å; V28-V195 HydrophobicContact CG2-CG1 4.25Å; V28-V195 HydrophobicContact CG2-CG2 4.18Å; V28-K206 HydrophobicContact CG1-CG 4.45Å; V28-L209 HydrophobicContact CB-CD1 4.4Å; V28-L209 HydrophobicContact CG1-CD1 3.96Å; V28-Q210 PolarHBondContact O-NE2 3.01Å; V28-V215 HydrophobicContact CB-CG2 3.89Å; V28-V215 HydrophobicContact CG2-CG1 4.39Å; V28-V215 HydrophobicContact CG2-CG2 3.5Å
29H97.3Very high84.2Confident27 Ų2767.8 Ų67.813%0.12539%0.387CS..THydrogen-bonded Turntrans-79.2-19.6173.572.8-80.9000113.9N27 G31 L32 Y49 L181 L193 V215N27-H29 PolarHBondContact O-N 3.45Å; H29-G31 PolarHBondContact O-N 3Å; H29-L32 WeakPolarHBondContact O-CB 3.44Å; H29-L32 PolarHBondContact O-N 3.42Å; H29-L32 VanDerWaalsContact O-N 3.13Å; H29-Y49 AromaticContact CE1-CE1 3.59Å; H29-Y49 PolarHBondContact N-OH 3.17Å; H29-Y49 AromaticContact ND1-CE1 3.28Å; H29-Y49 VanDerWaalsContact ND1-CE1 3.28Å; H29-Y49 WeakPolarHBondContact ND1-CE1 3.34Å; H29-Y49 AromaticContact ND1-CZ 3.54Å; H29-Y49 PolarHBondContact ND1-OH 2.69Å; H29-L181 HydrophobicContact CB-CD1 4.43Å; H29-L193 HydrophobicContact CB-CD1 4.22Å; H29-L193 HydrophobicContact CB-CD2 3.7Å; H29-L193 HydrophobicContact CB-CG 4.31Å; H29-V215 HydrophobicContact CB-CG1 4.04Å
30S96.9Very high86.5Confident54 Ų5465.5 Ų65.538%0.37839%0.39SS..THydrogen-bonded Turntrans-63.2135.2-176.1-550000111.1N27 L32 Q210N27-S30 WeakPolarHBondContact CB-OG 3.46Å; N27-S30 WeakPolarHBondContact O-CB 3.28Å; N27-S30 PolarHBondContact O-N 3.36Å; N27-S30 VanDerWaalsContact O-N 3.11Å; N27-S30 PolarHBondContact O-OG 3.08Å; S30-L32 VanDerWaalsContact C-N 3.29Å; S30-Q210 PolarHBondContact O-NE2 3.26Å
31G95.3Very high88.5Confident74 Ų7463.9 Ų63.976%0.76338%0.383SS*.THydrogen-bonded Turntrans84-3.9-17700000114.7H29H29-G31 PolarHBondContact O-N 3Å
32L94.4Very high90.5Very high35 Ų3565 Ų6518%0.18339%0.392CS..PPolyproline II helixtrans-68.2131.4169.4-16775.2000109H29 S30 L193 Q210 W217H29-L32 WeakPolarHBondContact O-CB 3.44Å; H29-L32 PolarHBondContact O-N 3.42Å; H29-L32 VanDerWaalsContact O-N 3.13Å; S30-L32 VanDerWaalsContact C-N 3.29Å; L32-L193 HydrophobicContact CD2-CD1 3.59Å; L32-Q210 HydrophobicContact CD1-CB 3.79Å; L32-Q210 HydrophobicContact CD1-CG 3.81Å; L32-W217 VanDerWaalsContact CD2-CD1 3.5Å; L32-W217 HydrophobicContact CD2-CG 4.33Å
33P93.3Very high92.5Very high96 Ų9658 Ų5862%0.62336%0.361SS*.PPolyproline II helixtrans-65149177.727.2-34.6000111W217P33-W217 PolarHBondContact O-NE1 3.13Å
34D91.9Very high93.3Very high110 Ų11057.2 Ų57.259%0.58835%0.353SS*.PPolyproline II helixtrans-60.7144.3173.5-71.1-34.5000110.7L36D34-L36 PolarHBondContact O-N 3.39Å
35P93.4Very high93.5Very high34 Ų3457.1 Ų57.122%0.22135%0.353CS..SBendtrans-76.2-15.7-17632.1-32.7000112.3C184 Y191 W217P35-C184 HydrophobicContact CG-CB 3.71Å; P35-Y191 HydrophobicContact CB-CD1 3.78Å; P35-Y191 HydrophobicContact CB-CD2 4.44Å; P35-Y191 HydrophobicContact CB-CE1 4.28Å; P35-Y191 HydrophobicContact CB-CG 3.86Å; P35-Y191 HydrophobicContact CG-CD1 4.5Å; P35-Y191 HydrophobicContact CG-CG 4.1Å; P35-W217 HydrophobicContact CB-CB 3.74Å; P35-W217 HydrophobicContact CB-CD2 4.07Å; P35-W217 HydrophobicContact CB-CG 3.69Å; P35-W217 HydrophobicContact CG-CB 4.27Å; P35-W217 HydrophobicContact CG-CD2 3.59Å; P35-W217 HydrophobicContact CG-CE3 3.86Å; P35-W217 HydrophobicContact CG-CG 3.77Å; P35-W217 HydrophobicContact CG-CZ2 4.37Å; P35-W217 HydrophobicContact CG-CZ3 4.36Å
36L90.4Very high93.6Very high34 Ų3461.2 Ų61.218%0.17837%0.37CS..  trans-136.6132.3-173.3-65.3176.2000108.9D34 A39 Y191D34-L36 PolarHBondContact O-N 3.39Å; L36-A39 HydrophobicContact CB-CB 4.1Å; L36-A39 HydrophobicContact CD1-CB 4.48Å; L36-Y191 HydrophobicContact CD1-CD2 3.93Å; L36-Y191 HydrophobicContact CD1-CE2 4.02Å; L36-Y191 HydrophobicContact CD2-CD2 4.27Å; L36-Y191 HydrophobicContact CD2-CE2 3.63Å; L36-Y191 HydrophobicContact CG-CD2 4.04Å; L36-Y191 HydrophobicContact CG-CE2 3.92Å
37T83.8Confident93.6Very high140 Ų14059.2 Ų59.286%0.85937%0.372SS*.THydrogen-bonded Turntrans-72.1-37.1177.2-48.80000111.9
38D81.9Confident93.5Very high143 Ų14360.9 Ų60.977%0.76538%0.381SS*.THydrogen-bonded Turntrans-122.762.4-179.2-58.1-54.3000109.8A40D38-A40 PolarHBondContact O-N 3.31Å
39A85.5Confident93.5Very high40 Ų4060.9 Ų60.933%0.33138%0.381SS..  trans-64.9130.417700000110.7L36 C184L36-A39 HydrophobicContact CB-CB 4.1Å; L36-A39 HydrophobicContact CD1-CB 4.48Å; A39-C184 WeakPolarHBondContact CB-SG 3.44Å
40A89.1Confident93.5Very high82 Ų8260.4 Ų60.468%0.67838%0.379SS*.SBendtrans-69.3-38.2172.600000111.1D38 T185D38-A40 PolarHBondContact O-N 3.31Å; A40-T185 PolarHBondContact N-O 2.88Å
41K94.1Very high93.5Very high60 Ų6058 Ų5826%0.26136%0.361SS..EExtended strand (participates in β ladder)trans-149.6133.4176.6-166.2174.8178173.50110.6H157 E161 C184 T185K41-H157 HydrophobicContact CD-CB 4.21Å; K41-E161 VanDerWaalsContact CE-CD 3.49Å; K41-E161 WeakPolarHBondContact CE-OE1 3.4Å; K41-E161 IonicContact NZ-OE1 3.35Å; K41-E161 PolarHBondContact NZ-OE1 3.08Å; K41-E161 IonicContact NZ-OE2 2.98Å; K41-E161 PolarHBondContact NZ-OE2 3.38Å; K41-C184 CarbonylContact O-C 3.51Å; K41-C184 WeakPolarHBondContact O-CA 3.23Å; K41-T185 PolarHBondContact N-O 3.4Å; K41-T185 VanDerWaalsContact N-O 3.13Å; K41-T185 PolarHBondContact O-N 2.83Å
42C96.1Very high93.6Very high54 Ų5454.7 Ų54.737%0.36533%0.326SS..EExtended strand (participates in β ladder)trans-135.9123173.8-166.50000109.6V183 C184C42-V183 WeakPolarHBondContact CA-O 3.41Å; C42-C184 HydrophobicContact CB-CB 4.39Å
43C97.3Very high93.8Very high13 Ų1353.9 Ų53.99%0.08832%0.321CS..EExtended strand (participates in β ladder)trans-128.5126.3178.9-60.60000109.3H157 F160 G182 V183C43-H157 PolarHBondContact SG-ND1 3.48Å; C43-F160 HydrophobicContact CB-CB 3.66Å; C43-G182 CarbonylContact O-C 3.54Å; C43-G182 WeakPolarHBondContact O-CA 3.49Å; C43-V183 HydrophobicContact CB-CG1 4.35Å; C43-V183 PolarHBondContact N-O 3.41Å; C43-V183 PolarHBondContact O-N 2.96Å
44L97.6Very high94Very high58 Ų5850 Ų5030%0.30429%0.294SS..EExtended strand (participates in β ladder)trans-118.5164.5-177.2-58.4-178.5000111L181 L193 W217L44-L181 CarbonylContact C-O 3.55Å; L44-L181 WeakPolarHBondContact CA-O 3.47Å; L44-L193 HydrophobicContact CD2-CD2 4.01Å; L44-W217 HydrophobicContact CD2-CH2 3.57Å; L44-W217 HydrophobicContact CD2-CZ2 3.7Å
45V97.8Very high94.1Very high13 Ų1345.7 Ų45.78%0.07928%0.276CS..  trans-49.9139.1164.367.40000110.3Y49 F160 G164 P166 L181V45-Y49 HydrophobicContact CG1-CE1 4.26Å; V45-F160 HydrophobicContact CB-CE1 4.41Å; V45-G164 CarbonylContact C-O 3.59Å; V45-G164 VanDerWaalsContact CA-O 3.31Å; V45-G164 WeakPolarHBondContact CA-O 3.23Å; V45-G164 WeakPolarHBondContact CG2-O 3.35Å; V45-P166 HydrophobicContact CG2-CG 3.93Å; V45-L181 HydrophobicContact CB-CB 4.36Å; V45-L181 HydrophobicContact CB-CD2 4.5Å; V45-L181 HydrophobicContact CG1-CB 4.11Å; V45-L181 PolarHBondContact N-O 2.68Å
46K96.9Very high94.2Very high117 Ų11745 Ų4551%0.50927%0.271SS..  trans-112.4124.9177.4-62.6175.7-175.4172.70108.4W77 F160 E161 G164K46-W77 VanDerWaalsContact O-CE2 3.27Å; K46-W77 WeakPolarHBondContact O-CZ2 3.49Å; K46-W77 PolarHBondContact O-NE1 2.98Å; K46-F160 WeakPolarHBondContact CE-O 3.43Å; K46-E161 PolarHBondContact NZ-O 3.41Å; K46-G164 PolarHBondContact N-O 3.15Å
47G96Very high94.3Very high38 Ų3844.9 Ų44.939%0.39227%0.271SS..SBendtrans90.2-175.4-177.500000113.9N81G47-N81 WeakPolarHBondContact CA-OD1 3.13Å
48D96.6Very high94.6Very high57 Ų5740.7 Ų40.731%0.30526%0.256SS..  trans-97.2144.8-163.2-70.2-24.7000113.6K26 N27 W77 L80 N81K26-D48 HydrophobicContact CD-CB 3.89Å; K26-D48 WeakPolarHBondContact CE-OD2 3.34Å; K26-D48 HydrophobicContact CG-CB 4.3Å; K26-D48 IonicContact NZ-OD2 2.72Å; K26-D48 PolarHBondContact NZ-OD2 3.42Å; N27-D48 PolarHBondContact ND2-OD1 3.49Å; N27-D48 WeakPolarHBondContact OD1-CA 3.47Å; D48-W77 WeakPolarHBondContact O-CA 3.32Å; D48-W77 VanDerWaalsContact O-CD1 3.31Å; D48-L80 HydrophobicContact CB-CB 4.36Å; D48-L80 HydrophobicContact CB-CD1 4Å; D48-N81 PolarHBondContact N-ND2 2.81Å; D48-N81 PolarHBondContact N-OD1 3.29Å; D48-N81 PolarHBondContact O-ND2 3.43Å
49Y97.5Very high95.2Very high0 Ų037 Ų370%023%0.234CC..  trans-142.4161.9170.369.8-83000111.1K26 N27 V28 H29 V45 T73 L181K26-Y49 CarbonylContact C-O 3.53Å; K26-Y49 VanDerWaalsContact CA-O 3.25Å; K26-Y49 WeakPolarHBondContact CA-O 3.45Å; N27-Y49 HydrophobicContact CB-CE1 4.32Å; N27-Y49 PolarHBondContact N-O 3.41Å; N27-Y49 WeakPolarHBondContact OD1-CD1 3.25Å; N27-Y49 PolarHBondContact OD1-N 3.26Å; N27-Y49 PolarHBondContact OD1-O 2.89Å; V28-Y49 HydrophobicContact CG2-CE2 4.06Å; V28-Y49 WeakPolarHBondContact CG2-OH 3.43Å; V28-Y49 PolarHBondContact N-OH 2.78Å; V28-Y49 VanDerWaalsContact N-OH 3.09Å; H29-Y49 AromaticContact CE1-CE1 3.59Å; H29-Y49 PolarHBondContact N-OH 3.17Å; H29-Y49 AromaticContact ND1-CE1 3.28Å; H29-Y49 VanDerWaalsContact ND1-CE1 3.28Å; H29-Y49 WeakPolarHBondContact ND1-CE1 3.34Å; H29-Y49 AromaticContact ND1-CZ 3.54Å; H29-Y49 PolarHBondContact ND1-OH 2.69Å; V45-Y49 HydrophobicContact CG1-CE1 4.26Å; Y49-T73 HydrophobicContact CD2-CG2 3.75Å; Y49-T73 HydrophobicContact CE2-CG2 4.38Å; Y49-L181 HydrophobicContact CD1-CD1 4.39Å; Y49-L181 HydrophobicContact CE1-CD1 3.5Å; Y49-L181 VanDerWaalsContact CE1-CD1 3.5Å; Y49-L181 HydrophobicContact CE2-CD1 3.75Å; Y49-L181 WeakPolarHBondContact OH-CD1 3.32Å
50L97.4Very high95.7Very high17 Ų1738.5 Ų38.59%0.08924%0.236CC..BIsolated β-bridgetrans-103.4141.4172.5-58.2-179000110.8V21 L24 K26 F52 T73 S76 L80 I91V21-L50 HydrophobicContact CG1-CD1 4.12Å; L24-L50 HydrophobicContact CB-CB 4.13Å; L24-L50 HydrophobicContact CB-CD1 4.42Å; L24-L50 HydrophobicContact CD1-CB 4.3Å; L24-L50 HydrophobicContact CD1-CD1 4.44Å; K26-L50 HydrophobicContact CB-CD2 4.01Å; L50-F52 HydrophobicContact CB-CD2 4.19Å; L50-F52 HydrophobicContact CB-CE2 3.84Å; L50-F52 HydrophobicContact CD1-CE2 4.4Å; L50-F52 PolarHBondContact O-N 3.43Å; L50-T73 PolarHBondContact O-OG1 3.35Å; L50-S76 PolarHBondContact N-OG 3.21Å; L50-L80 HydrophobicContact CG-CD1 4.33Å; L50-I91 HydrophobicContact CD1-CD1 4.2Å; L50-I91 HydrophobicContact CD1-CG2 3.96Å
51Y97.8Very high96Very high2 Ų234.6 Ų34.61%0.00820%0.204CC..  trans-83.999.2176.5175.8-131.2000111.2L25 V28 H53 V195 D196 Y199 L209L25-Y51 PolarHBondContact O-N 2.83Å; V28-Y51 HydrophobicContact CG1-CD1 4.03Å; V28-Y51 HydrophobicContact CG1-CG 4.01Å; V28-Y51 HydrophobicContact CG2-CD2 4.27Å; V28-Y51 HydrophobicContact CG2-CG 3.98Å; Y51-H53 AromaticContact CD1-CD2 3.83Å; Y51-H53 HydrophobicContact CE1-CB 4.15Å; Y51-H53 AromaticContact CE1-CD2 3.7Å; Y51-H53 HydrophobicContact CE2-CB 4.21Å; Y51-V195 HydrophobicContact CD2-CG1 3.3Å; Y51-V195 HydrophobicContact CE2-CG1 3.35Å; Y51-V195 HydrophobicContact CG-CG1 4.42Å; Y51-D196 WeakPolarHBondContact CE2-O 2.98Å; Y51-D196 PolarHBondContact OH-O 2.97Å; Y51-Y199 VanDerWaalsContact OH-CB 3.25Å; Y51-Y199 WeakPolarHBondContact OH-CB 3.49Å; Y51-L209 HydrophobicContact CD1-CD1 3.73Å; Y51-L209 HydrophobicContact CE1-CD1 3.64Å; Y51-L209 HydrophobicContact CE1-CD2 3.87Å; Y51-L209 HydrophobicContact CE1-CG 4.42Å
52F97.6Very high96.2Very high6 Ų637.7 Ų37.73%0.02621%0.214CC..  trans-87.3136.3170.4-74.1-100.9000110.3V21 L24 L50 R69 Q72 T73 A92V21-F52 HydrophobicContact CG1-CZ 4.21Å; L24-F52 HydrophobicContact CD1-CD1 3.67Å; L24-F52 HydrophobicContact CD1-CD2 3.84Å; L24-F52 HydrophobicContact CD1-CE1 3.44Å; L24-F52 VanDerWaalsContact CD1-CE1 3.44Å; L24-F52 HydrophobicContact CD1-CE2 3.61Å; L24-F52 HydrophobicContact CD1-CG 3.88Å; L24-F52 HydrophobicContact CD1-CZ 3.41Å; L24-F52 VanDerWaalsContact CD1-CZ 3.41Å; L50-F52 HydrophobicContact CB-CD2 4.19Å; L50-F52 HydrophobicContact CB-CE2 3.84Å; L50-F52 HydrophobicContact CD1-CE2 4.4Å; L50-F52 PolarHBondContact O-N 3.43Å; F52-R69 HydrophobicContact CB-CB 4.31Å; F52-R69 WeakPolarHBondContact CB-O 3.45Å; F52-Q72 HydrophobicContact CB-CB 3.83Å; F52-Q72 HydrophobicContact CD1-CB 3.52Å; F52-Q72 HydrophobicContact CD1-CG 4.12Å; F52-Q72 HydrophobicContact CD2-CB 3.72Å; F52-Q72 HydrophobicContact CE1-CB 3.91Å; F52-Q72 HydrophobicContact CE1-CG 4.34Å; F52-Q72 HydrophobicContact CE2-CB 4.1Å; F52-Q72 HydrophobicContact CG-CB 3.41Å; F52-Q72 VanDerWaalsContact CG-CB 3.41Å; F52-Q72 HydrophobicContact CG-CG 4.46Å; F52-Q72 HydrophobicContact CZ-CB 4.18Å; F52-T73 PolarHBondContact N-OG1 3.07Å; F52-A92 HydrophobicContact CE1-CB 4.47Å; F52-A92 HydrophobicContact CE2-CB 4.3Å; F52-A92 HydrophobicContact CZ-CB 3.89Å
53H97.2Very high96.1Very high18 Ų1838.6 Ų38.68%0.08323%0.233CC..  trans-148.4173.7-177.463.878.9000110.3Y51 G55 C56 R69 P197 Y199Y51-H53 AromaticContact CD1-CD2 3.83Å; Y51-H53 HydrophobicContact CE1-CB 4.15Å; Y51-H53 AromaticContact CE1-CD2 3.7Å; Y51-H53 HydrophobicContact CE2-CB 4.21Å; H53-G55 PolarHBondContact O-N 3.19Å; H53-C56 WeakPolarHBondContact O-CB 3.21Å; H53-C56 PolarHBondContact O-N 3.23Å; H53-C56 PolarHBondContact O-SG 3.25Å; H53-R69 WeakPolarHBondContact O-CD 3.48Å; H53-R69 PolarHBondContact O-NE 2.88Å; H53-P197 CarbonylContact C-O 3.51Å; H53-P197 WeakPolarHBondContact CA-O 3.28Å; H53-P197 WeakPolarHBondContact CB-O 3.46Å; H53-Y199 WeakPolarHBondContact CB-O 3.38Å; H53-Y199 AromaticContact CE1-CD1 3.73Å; H53-Y199 AromaticContact CG-CD1 3.99Å; H53-Y199 AromaticContact ND1-CD1 3.7Å; H53-Y199 PolarHBondContact ND1-O 3.33Å
54Y97.6Very high96Very high14 Ų1438.9 Ų38.96%0.05523%0.232CC..THydrogen-bonded Turntrans-53.3135.9-179.5-68.9-30.8000113C56 D61 R62 G63 C66 R69 P197 H198 Y199Y54-C56 PolarHBondContact O-N 3.45Å; Y54-D61 WeakPolarHBondContact CA-OD1 3.41Å; Y54-D61 WeakPolarHBondContact CD1-OD2 3.33Å; Y54-D61 VanDerWaalsContact CE1-O 3.25Å; Y54-D61 WeakPolarHBondContact CE1-O 3.49Å; Y54-R62 HydrophobicContact CD2-CB 4.35Å; Y54-R62 HydrophobicContact CD2-CG 3.95Å; Y54-R62 HydrophobicContact CG-CG 4.2Å; Y54-G63 PolarHBondContact OH-N 3.22Å; Y54-C66 HydrophobicContact CE1-CB 4.03Å; Y54-R69 HydrophobicContact CD1-CG 4.4Å; Y54-P197 PolarHBondContact N-O 2.69Å; Y54-H198 VanDerWaalsContact CD2-CA 3.46Å; Y54-H198 HydrophobicContact CD2-CB 4.08Å; Y54-H198 VanDerWaalsContact CD2-O 3.29Å; Y54-H198 WeakPolarHBondContact CD2-O 3.34Å; Y54-H198 HydrophobicContact CE2-CB 3.68Å; Y54-H198 AromaticContact CE2-CD2 3.47Å; Y54-H198 VanDerWaalsContact CE2-CD2 3.47Å; Y54-H198 WeakPolarHBondContact CE2-CD2 3.4Å; Y54-H198 AromaticContact CE2-CG 3.8Å; Y54-H198 AromaticContact CZ-CD2 3.49Å; Y54-H198 VanDerWaalsContact CZ-CD2 3.49Å; Y54-H198 PolarHBondContact OH-CD2 2.96Å; Y54-H198 PolarHBondContact OH-NE2 3.39Å; Y54-Y199 PolarHBondContact N-O 2.89Å
55G95.4Very high96Very high19 Ų1936.1 Ų36.120%0.19622%0.217CC..THydrogen-bonded Turntrans72.40.217500000115.9H53 D57 G58 Q59 D61H53-G55 PolarHBondContact O-N 3.19Å; G55-D57 VanDerWaalsContact C-N 3.25Å; G55-D57 PolarHBondContact O-N 3.36Å; G55-G58 PolarHBondContact O-N 2.98Å; G55-Q59 VanDerWaalsContact CA-O 3.28Å; G55-Q59 WeakPolarHBondContact CA-O 3.47Å; G55-D61 PolarHBondContact N-OD1 2.73Å
56C94.3Very high96Very high19 Ų1935.9 Ų35.913%0.12822%0.216CC..THydrogen-bonded Turntrans-65.3-27.2-167.772.90000113.7L24 H53 Y54L24-C56 HydrophobicContact CD2-CB 3.78Å; H53-C56 WeakPolarHBondContact O-CB 3.21Å; H53-C56 PolarHBondContact O-N 3.23Å; H53-C56 PolarHBondContact O-SG 3.25Å; Y54-C56 PolarHBondContact O-N 3.45Å
57D92Very high96Very high32 Ų3230.3 Ų30.317%0.17119%0.192CC..THydrogen-bonded Turntrans-98.12.5174.856.311000113.5G55 Q59 R69G55-D57 VanDerWaalsContact C-N 3.25Å; G55-D57 PolarHBondContact O-N 3.36Å; D57-Q59 PolarHBondContact OD1-N 3.02Å; D57-R69 IonicContact OD1-CZ 3.43Å; D57-R69 IonicContact OD1-NH1 3.31Å; D57-R69 PolarHBondContact OD1-NH1 3.39Å; D57-R69 IonicContact OD1-NH2 2.78Å; D57-R69 PolarHBondContact OD1-NH2 3.4Å; D57-R69 IonicContact OD2-CZ 3.58Å; D57-R69 IonicContact OD2-NH1 2.67Å; D57-R69 PolarHBondContact OD2-NH1 2.9Å; D57-R69 IonicContact OD2-NH2 3.55Å
58G91.9Very high96.1Very high53 Ų5328.5 Ų28.555%0.54617%0.173SC..SBendtrans94.7-5.9-177.800000115.1G55G55-G58 PolarHBondContact O-N 2.98Å
59Q93.1Very high96.2Very high66 Ų6625.8 Ų25.831%0.30816%0.159SC..  trans-84.1125171.5-177.7165.95.600110.4G55 D57 D61G55-Q59 VanDerWaalsContact CA-O 3.28Å; G55-Q59 WeakPolarHBondContact CA-O 3.47Å; D57-Q59 PolarHBondContact OD1-N 3.02Å; Q59-D61 PolarHBondContact O-N 3.3Å
60D96.1Very high96.2Very high70 Ų7025.9 Ų25.937%0.37416%0.159SC..  trans-75.895.9172.9-174.36.8000111R62D60-R62 WeakPolarHBondContact OD1-CG 3.28Å; D60-R62 IonicContact OD1-CZ 3.58Å; D60-R62 PolarHBondContact OD1-N 2.99Å; D60-R62 IonicContact OD1-NE 2.76Å; D60-R62 PolarHBondContact OD1-NE 3.45Å; D60-R62 IonicContact OD1-NH2 3.57Å; D60-R62 IonicContact OD2-CZ 3.48Å; D60-R62 IonicContact OD2-NE 3.46Å; D60-R62 PolarHBondContact OD2-NE 3.42Å; D60-R62 IonicContact OD2-NH2 2.68Å; D60-R62 PolarHBondContact OD2-NH2 2.99Å
61D96.8Very high96.3Very high0 Ų025 Ų250%016%0.155CC..  trans-109.818.1-177.966.1-54.5000113.7Y54 G55 Q59 G63 W64 G65 R69 L95Y54-D61 WeakPolarHBondContact CA-OD1 3.41Å; Y54-D61 WeakPolarHBondContact CD1-OD2 3.33Å; Y54-D61 VanDerWaalsContact CE1-O 3.25Å; Y54-D61 WeakPolarHBondContact CE1-O 3.49Å; G55-D61 PolarHBondContact N-OD1 2.73Å; Q59-D61 PolarHBondContact O-N 3.3Å; D61-G63 PolarHBondContact O-N 2.93Å; D61-W64 HydrophobicContact CB-CD2 4.44Å; D61-W64 HydrophobicContact CB-CH2 4.3Å; D61-W64 HydrophobicContact CB-CZ2 3.74Å; D61-W64 PolarHBondContact O-N 3.39Å; D61-G65 WeakPolarHBondContact O-CA 3.33Å; D61-G65 PolarHBondContact O-N 2.63Å; D61-G65 WeakPolarHBondContact OD2-CA 3.48Å; D61-R69 VanDerWaalsContact CG-NE 3.35Å; D61-R69 IonicContact OD1-CZ 2.75Å; D61-R69 IonicContact OD1-NE 3.15Å; D61-R69 PolarHBondContact OD1-NE 2.79Å; D61-R69 IonicContact OD1-NH2 2.89Å; D61-R69 PolarHBondContact OD1-NH2 2.57Å; D61-R69 WeakPolarHBondContact OD2-CG 3.38Å; D61-R69 IonicContact OD2-CZ 2.65Å; D61-R69 IonicContact OD2-NE 3.95Å; D61-R69 PolarHBondContact OD2-NE 3.46Å; D61-R69 IonicContact OD2-NH2 3.41Å; D61-R69 PolarHBondContact OD2-NH2 3.46Å; D61-L95 HydrophobicContact CB-CD2 3.59Å
62R96.6Very high96.3Very high126 Ų12625.1 Ų25.148%0.47516%0.156SC..THydrogen-bonded Turntrans-57.9131.7177.6-68.1176.5-69.6174.62.8111.1Y54 D60 W64 Y200Y54-R62 HydrophobicContact CD2-CB 4.35Å; Y54-R62 HydrophobicContact CD2-CG 3.95Å; Y54-R62 HydrophobicContact CG-CG 4.2Å; D60-R62 WeakPolarHBondContact OD1-CG 3.28Å; D60-R62 IonicContact OD1-CZ 3.58Å; D60-R62 PolarHBondContact OD1-N 2.99Å; D60-R62 IonicContact OD1-NE 2.76Å; D60-R62 PolarHBondContact OD1-NE 3.45Å; D60-R62 IonicContact OD1-NH2 3.57Å; D60-R62 IonicContact OD2-CZ 3.48Å; D60-R62 IonicContact OD2-NE 3.46Å; D60-R62 PolarHBondContact OD2-NE 3.42Å; D60-R62 IonicContact OD2-NH2 2.68Å; D60-R62 PolarHBondContact OD2-NH2 2.99Å; R62-W64 VanDerWaalsContact C-N 3.34Å; R62-Y200 HydrophobicContact CG-CD2 3.69Å; R62-Y200 HydrophobicContact CG-CE2 4.14Å; R62-Y200 HydrophobicContact CG-CG 3.95Å
63G94.9Very high96.3Very high73 Ų7325.1 Ų25.175%0.75316%0.156SC*.THydrogen-bonded Turntrans85.9-5.8176.500000115.4Y54 D61Y54-G63 PolarHBondContact OH-N 3.22Å; D61-G63 PolarHBondContact O-N 2.93Å
64W95.4Very high96.3Very high18 Ų1824.4 Ų24.47%0.06815%0.153CC..THydrogen-bonded Turntrans-144-21.417963.5-84.2000114.5D61 R62 C66 Y68 L95 R116D61-W64 HydrophobicContact CB-CD2 4.44Å; D61-W64 HydrophobicContact CB-CH2 4.3Å; D61-W64 HydrophobicContact CB-CZ2 3.74Å; D61-W64 PolarHBondContact O-N 3.39Å; R62-W64 VanDerWaalsContact C-N 3.34Å; W64-C66 PolarHBondContact O-N 2.86Å; W64-Y68 HydrophobicContact CE3-CD2 4.39Å; W64-Y68 AromaticContact CE3-CE2 3.84Å; W64-Y68 HydrophobicContact CE3-CE2 3.84Å; W64-Y68 HydrophobicContact CZ3-CD2 4.38Å; W64-Y68 AromaticContact CZ3-CE2 3.88Å; W64-Y68 HydrophobicContact CZ3-CE2 3.88Å; W64-L95 HydrophobicContact CH2-CD2 3.76Å; W64-L95 HydrophobicContact CZ2-CD2 4.4Å; W64-L95 HydrophobicContact CZ3-CD2 4.07Å; W64-R116 WeakPolarHBondContact CB-O 3.38Å; W64-R116 HydrophobicContact CD2-CB 3.76Å; W64-R116 HydrophobicContact CD2-CG 4.24Å; W64-R116 HydrophobicContact CE3-CB 4.29Å; W64-R116 HydrophobicContact CG-CB 3.9Å; W64-R116 HydrophobicContact CZ2-CB 4.4Å; W64-R116 HydrophobicContact CZ2-CG 3.99Å
65G97.3Very high96.3Very high0 Ų023.8 Ų23.80%015%0.151CC..  trans-82.7-4.3-171.400000116.9D61 G67 Y68 R69D61-G65 WeakPolarHBondContact O-CA 3.33Å; D61-G65 PolarHBondContact O-N 2.63Å; D61-G65 WeakPolarHBondContact OD2-CA 3.48Å; G65-G67 VanDerWaalsContact C-N 3.33Å; G65-G67 PolarHBondContact O-N 2.91Å; G65-Y68 WeakPolarHBondContact O-CA 3.37Å; G65-Y68 WeakPolarHBondContact O-CB 3.48Å; G65-Y68 PolarHBondContact O-N 3.38Å; G65-R69 WeakPolarHBondContact O-CG 3.38Å; G65-R69 PolarHBondContact O-N 3.02Å
66C96.9Very high96.3Very high8 Ų822.9 Ų22.95%0.05414%0.141CC..Hα-helixtrans-64.8-36.9-163.955.60000112.6Y54 W64 R69 T70 P197 H198Y54-C66 HydrophobicContact CE1-CB 4.03Å; W64-C66 PolarHBondContact O-N 2.86Å; C66-R69 PolarHBondContact O-N 3.11Å; C66-T70 PolarHBondContact O-N 3.29Å; C66-T70 PolarHBondContact O-OG1 3.28Å; C66-P197 HydrophobicContact CB-CG 3.86Å; C66-H198 VanDerWaalsContact CB-CE1 3.42Å; C66-H198 WeakPolarHBondContact CB-CE1 3.44Å; C66-H198 VanDerWaalsContact CB-NE2 3.32Å; C66-H198 WeakPolarHBondContact CB-NE2 3.44Å
67G97.6Very high96.5Very high0 Ų022.6 Ų22.60%014%0.137CC..Hα-helixtrans-59.9-47172.200000112G65 R69 T70 I71G65-G67 VanDerWaalsContact C-N 3.33Å; G65-G67 PolarHBondContact O-N 2.91Å; G67-R69 PolarHBondContact O-N 3.46Å; G67-T70 PolarHBondContact O-N 3.23Å; G67-I71 WeakPolarHBondContact O-CG1 3.47Å; G67-I71 PolarHBondContact O-N 3.27Å
68Y98.1Very high96.6Very high0 Ų021.1 Ų21.10%013%0.13CC..Hα-helixtrans-59.3-46176.8-58.3-95.6000112.5W64 G65 T70 I71 Q72 L95 I98 Q99 F112 E117 I119W64-Y68 HydrophobicContact CE3-CD2 4.39Å; W64-Y68 AromaticContact CE3-CE2 3.84Å; W64-Y68 HydrophobicContact CE3-CE2 3.84Å; W64-Y68 HydrophobicContact CZ3-CD2 4.38Å; W64-Y68 AromaticContact CZ3-CE2 3.88Å; W64-Y68 HydrophobicContact CZ3-CE2 3.88Å; G65-Y68 WeakPolarHBondContact O-CA 3.37Å; G65-Y68 WeakPolarHBondContact O-CB 3.48Å; G65-Y68 PolarHBondContact O-N 3.38Å; Y68-T70 VanDerWaalsContact C-N 3.3Å; Y68-T70 PolarHBondContact O-N 2.97Å; Y68-I71 WeakPolarHBondContact O-CB 3.36Å; Y68-I71 PolarHBondContact O-N 2.92Å; Y68-Q72 WeakPolarHBondContact O-CG 3.25Å; Y68-Q72 PolarHBondContact O-N 3.46Å; Y68-L95 HydrophobicContact CD1-CB 4.33Å; Y68-L95 HydrophobicContact CD1-CG 3.89Å; Y68-L95 HydrophobicContact CG-CD1 4.42Å; Y68-L95 HydrophobicContact CG-CD2 4.42Å; Y68-L95 HydrophobicContact CG-CG 3.79Å; Y68-I98 HydrophobicContact CD1-CB 3.85Å; Y68-I98 HydrophobicContact CD1-CD1 3.91Å; Y68-I98 HydrophobicContact CD1-CG1 4.48Å; Y68-I98 HydrophobicContact CD1-CG2 3.59Å; Y68-I98 HydrophobicContact CE1-CB 4.08Å; Y68-I98 HydrophobicContact CE1-CG2 3.66Å; Y68-Q99 HydrophobicContact CE1-CG 3.78Å; Y68-Q99 PolarHBondContact OH-NE2 3.49Å; Y68-F112 VanDerWaalsContact OH-CZ 3.28Å; Y68-F112 WeakPolarHBondContact OH-CZ 3.23Å; Y68-E117 WeakPolarHBondContact CE2-O 3.37Å; Y68-E117 PolarHBondContact OH-O 3.31Å; Y68-E117 VanDerWaalsContact OH-O 3.09Å; Y68-I119 HydrophobicContact CD1-CD1 3.57Å; Y68-I119 HydrophobicContact CD1-CG1 4.34Å; Y68-I119 HydrophobicContact CD2-CD1 4.01Å; Y68-I119 HydrophobicContact CD2-CG1 3.88Å; Y68-I119 HydrophobicContact CE1-CD1 3.56Å; Y68-I119 HydrophobicContact CE1-CG1 4.22Å; Y68-I119 HydrophobicContact CE2-CD1 4.03Å; Y68-I119 HydrophobicContact CE2-CG1 3.77Å; Y68-I119 HydrophobicContact CE2-CG2 4.31Å; Y68-I119 HydrophobicContact CG-CD1 3.81Å; Y68-I119 HydrophobicContact CG-CG1 4.19Å
69R98.1Very high96.6Very high0 Ų022.1 Ų22.10%012%0.117CC..Hα-helixtrans-66-33.9178.9-59.8-49.2-179.2-178.43112.6F52 H53 Y54 D57 D61 G65 C66 G67 Q72 T73 L95 P197F52-R69 HydrophobicContact CB-CB 4.31Å; F52-R69 WeakPolarHBondContact CB-O 3.45Å; H53-R69 WeakPolarHBondContact O-CD 3.48Å; H53-R69 PolarHBondContact O-NE 2.88Å; Y54-R69 HydrophobicContact CD1-CG 4.4Å; D57-R69 IonicContact OD1-CZ 3.43Å; D57-R69 IonicContact OD1-NH1 3.31Å; D57-R69 PolarHBondContact OD1-NH1 3.39Å; D57-R69 IonicContact OD1-NH2 2.78Å; D57-R69 PolarHBondContact OD1-NH2 3.4Å; D57-R69 IonicContact OD2-CZ 3.58Å; D57-R69 IonicContact OD2-NH1 2.67Å; D57-R69 PolarHBondContact OD2-NH1 2.9Å; D57-R69 IonicContact OD2-NH2 3.55Å; D61-R69 VanDerWaalsContact CG-NE 3.35Å; D61-R69 IonicContact OD1-CZ 2.75Å; D61-R69 IonicContact OD1-NE 3.15Å; D61-R69 PolarHBondContact OD1-NE 2.79Å; D61-R69 IonicContact OD1-NH2 2.89Å; D61-R69 PolarHBondContact OD1-NH2 2.57Å; D61-R69 WeakPolarHBondContact OD2-CG 3.38Å; D61-R69 IonicContact OD2-CZ 2.65Å; D61-R69 IonicContact OD2-NE 3.95Å; D61-R69 PolarHBondContact OD2-NE 3.46Å; D61-R69 IonicContact OD2-NH2 3.41Å; D61-R69 PolarHBondContact OD2-NH2 3.46Å; G65-R69 WeakPolarHBondContact O-CG 3.38Å; G65-R69 PolarHBondContact O-N 3.02Å; C66-R69 PolarHBondContact O-N 3.11Å; G67-R69 PolarHBondContact O-N 3.46Å; R69-Q72 PolarHBondContact O-N 2.87Å; R69-T73 PolarHBondContact O-N 2.67Å; R69-T73 PolarHBondContact O-OG1 3.35Å; R69-T73 VanDerWaalsContact O-OG1 3.06Å; R69-L95 VanDerWaalsContact NH1-CD1 3.33Å; R69-P197 HydrophobicContact CB-CB 3.74Å
70T98.4Very high96.6Very high2 Ų221.9 Ų21.91%0.01212%0.118CC..Hα-helixtrans-68.3-42.8174.3-50.10000110.9C66 G67 Y68 Q72 T73 M74 M168 S177C66-T70 PolarHBondContact O-N 3.29Å; C66-T70 PolarHBondContact O-OG1 3.28Å; G67-T70 PolarHBondContact O-N 3.23Å; Y68-T70 VanDerWaalsContact C-N 3.3Å; Y68-T70 PolarHBondContact O-N 2.97Å; T70-Q72 VanDerWaalsContact C-N 3.34Å; T70-Q72 PolarHBondContact O-N 3.2Å; T70-T73 WeakPolarHBondContact O-CB 3.38Å; T70-T73 PolarHBondContact O-N 2.83Å; T70-M74 HydrophobicContact CG2-SD 4.36Å; T70-M74 WeakPolarHBondContact O-CG 3.2Å; T70-M74 PolarHBondContact O-N 3.2Å; T70-M168 HydrophobicContact CG2-CB 3.69Å; T70-M168 HydrophobicContact CG2-CG 3.72Å; T70-M168 HydrophobicContact CG2-SD 4.26Å; T70-S177 VanDerWaalsContact CB-OG 3.22Å; T70-S177 WeakPolarHBondContact CB-OG 3.31Å; T70-S177 PolarHBondContact OG1-OG 3.2Å
71I98.3Very high96.4Very high0 Ų021.4 Ų21.40%012%0.116CC..Hα-helixtrans-58.2-45.4172.5-68.9165.5000111G67 Y68 T73 M74 A75 I98 I119 A124 V127 L128 M168G67-I71 WeakPolarHBondContact O-CG1 3.47Å; G67-I71 PolarHBondContact O-N 3.27Å; Y68-I71 WeakPolarHBondContact O-CB 3.36Å; Y68-I71 PolarHBondContact O-N 2.92Å; I71-T73 VanDerWaalsContact C-N 3.31Å; I71-T73 PolarHBondContact O-N 3.33Å; I71-M74 PolarHBondContact O-N 2.95Å; I71-A75 WeakPolarHBondContact O-CB 3.29Å; I71-A75 PolarHBondContact O-N 3.2Å; I71-I98 HydrophobicContact CB-CD1 4.47Å; I71-I98 HydrophobicContact CG2-CD1 4.12Å; I71-I119 HydrophobicContact CD1-CD1 3.47Å; I71-I119 VanDerWaalsContact CD1-CD1 3.47Å; I71-I119 HydrophobicContact CD1-CG1 4.39Å; I71-A124 HydrophobicContact CD1-CB 3.79Å; I71-A124 HydrophobicContact CG1-CB 3.56Å; I71-V127 HydrophobicContact CD1-CB 4.44Å; I71-V127 HydrophobicContact CG2-CB 4.45Å; I71-V127 HydrophobicContact CG2-CG1 3.7Å; I71-L128 HydrophobicContact CG2-CD2 4.26Å; I71-M168 HydrophobicContact CG1-SD 4.48Å
72Q98.1Very high95.8Very high4 Ų424.5 Ų24.52%0.01913%0.127CC..Hα-helixtrans-61.9-40178.5-71.4178.4-42.200112.2F52 Y68 R69 T70 A75 S76 A92 P93 I98F52-Q72 HydrophobicContact CB-CB 3.83Å; F52-Q72 HydrophobicContact CD1-CB 3.52Å; F52-Q72 HydrophobicContact CD1-CG 4.12Å; F52-Q72 HydrophobicContact CD2-CB 3.72Å; F52-Q72 HydrophobicContact CE1-CB 3.91Å; F52-Q72 HydrophobicContact CE1-CG 4.34Å; F52-Q72 HydrophobicContact CE2-CB 4.1Å; F52-Q72 HydrophobicContact CG-CB 3.41Å; F52-Q72 VanDerWaalsContact CG-CB 3.41Å; F52-Q72 HydrophobicContact CG-CG 4.46Å; F52-Q72 HydrophobicContact CZ-CB 4.18Å; Y68-Q72 WeakPolarHBondContact O-CG 3.25Å; Y68-Q72 PolarHBondContact O-N 3.46Å; R69-Q72 PolarHBondContact O-N 2.87Å; T70-Q72 VanDerWaalsContact C-N 3.34Å; T70-Q72 PolarHBondContact O-N 3.2Å; Q72-A75 PolarHBondContact O-N 3.11Å; Q72-S76 WeakPolarHBondContact O-CB 3.49Å; Q72-S76 PolarHBondContact O-N 3.44Å; Q72-A92 HydrophobicContact CB-CB 4Å; Q72-A92 HydrophobicContact CG-CB 4.11Å; Q72-P93 WeakPolarHBondContact CG-O 3.27Å; Q72-P93 PolarHBondContact NE2-O 2.77Å; Q72-I98 HydrophobicContact CG-CD1 4.41Å
73T98.3Very high94.3Very high6 Ų622.7 Ų22.74%0.03713%0.134CC..Hα-helixtrans-58.8-48.4173.1-63.90000111.1Y49 L50 F52 R69 T70 I71 S76 W77Y49-T73 HydrophobicContact CD2-CG2 3.75Å; Y49-T73 HydrophobicContact CE2-CG2 4.38Å; L50-T73 PolarHBondContact O-OG1 3.35Å; F52-T73 PolarHBondContact N-OG1 3.07Å; R69-T73 PolarHBondContact O-N 2.67Å; R69-T73 PolarHBondContact O-OG1 3.35Å; R69-T73 VanDerWaalsContact O-OG1 3.06Å; T70-T73 WeakPolarHBondContact O-CB 3.38Å; T70-T73 PolarHBondContact O-N 2.83Å; I71-T73 VanDerWaalsContact C-N 3.31Å; I71-T73 PolarHBondContact O-N 3.33Å; T73-S76 PolarHBondContact O-N 2.97Å; T73-S76 PolarHBondContact O-OG 3.03Å; T73-W77 PolarHBondContact O-N 2.72Å
74M98.2Very high92.6Very high2 Ų224.2 Ų24.21%0.0113%0.129CC..Hα-helixtrans-64.3-45.4177.8-64.8167.277.900112.3T70 I71 S76 W77 I78 L128 P166 M168 P234T70-M74 HydrophobicContact CG2-SD 4.36Å; T70-M74 WeakPolarHBondContact O-CG 3.2Å; T70-M74 PolarHBondContact O-N 3.2Å; I71-M74 PolarHBondContact O-N 2.95Å; M74-S76 VanDerWaalsContact C-N 3.31Å; M74-S76 PolarHBondContact O-N 3.25Å; M74-W77 WeakPolarHBondContact O-CB 3.26Å; M74-W77 PolarHBondContact O-N 3.37Å; M74-W77 VanDerWaalsContact O-N 3.15Å; M74-I78 WeakPolarHBondContact O-CG1 3.4Å; M74-I78 PolarHBondContact O-N 3.44Å; M74-L128 HydrophobicContact CB-CD1 4.19Å; M74-L128 HydrophobicContact CB-CD2 4.25Å; M74-L128 HydrophobicContact CE-CD1 3.44Å; M74-L128 VanDerWaalsContact CE-CD1 3.44Å; M74-L128 HydrophobicContact SD-CD1 4.13Å; M74-P166 WeakPolarHBondContact CE-O 3.33Å; M74-P166 HydrophobicContact CG-CB 4.04Å; M74-M168 HydrophobicContact CE-CB 4.32Å; M74-M168 HydrophobicContact SD-CB 3.57Å; M74-M168 VanDerWaalsContact SD-CB 3.57Å; M74-P234 HydrophobicContact CE-CG 3.29Å
75A96.3Very high90.8Very high1 Ų123.8 Ų23.81%0.00813%0.128CC..Hα-helixtrans-61-40.6177.700000111.5I71 Q72 W77 I78 Y79 I91 A92 L128I71-A75 WeakPolarHBondContact O-CB 3.29Å; I71-A75 PolarHBondContact O-N 3.2Å; Q72-A75 PolarHBondContact O-N 3.11Å; A75-W77 VanDerWaalsContact C-N 3.29Å; A75-W77 PolarHBondContact O-N 2.97Å; A75-I78 PolarHBondContact O-N 2.88Å; A75-I78 VanDerWaalsContact O-N 3.12Å; A75-Y79 WeakPolarHBondContact O-CB 3.22Å; A75-Y79 PolarHBondContact O-N 2.79Å; A75-I91 CarbonylContact C-O 3.56Å; A75-A92 HydrophobicContact CB-CB 4.11Å; A75-L128 HydrophobicContact CB-CD2 4.19Å
76S96.4Very high88.6Confident0 Ų031.3 Ų31.30%016%0.163CC..Hα-helixtrans-61.6-37.6175.979.20000112.5L50 Q72 T73 M74 Y79 L80L50-S76 PolarHBondContact N-OG 3.21Å; Q72-S76 WeakPolarHBondContact O-CB 3.49Å; Q72-S76 PolarHBondContact O-N 3.44Å; T73-S76 PolarHBondContact O-N 2.97Å; T73-S76 PolarHBondContact O-OG 3.03Å; M74-S76 VanDerWaalsContact C-N 3.31Å; M74-S76 PolarHBondContact O-N 3.25Å; S76-Y79 PolarHBondContact O-N 2.72Å; S76-L80 WeakPolarHBondContact O-CB 3.43Å; S76-L80 WeakPolarHBondContact O-CG 3.38Å; S76-L80 PolarHBondContact O-N 2.96Å
77W96.9Very high86.5Confident13 Ų1338.6 Ų38.65%0.04920%0.202CC..Hα-helixtrans-65-44.5173.9-176.593.4000111K46 D48 T73 M74 A75 Y79 L80 N81 G164 S165 P166 T236K46-W77 VanDerWaalsContact O-CE2 3.27Å; K46-W77 WeakPolarHBondContact O-CZ2 3.49Å; K46-W77 PolarHBondContact O-NE1 2.98Å; D48-W77 WeakPolarHBondContact O-CA 3.32Å; D48-W77 VanDerWaalsContact O-CD1 3.31Å; T73-W77 PolarHBondContact O-N 2.72Å; M74-W77 WeakPolarHBondContact O-CB 3.26Å; M74-W77 PolarHBondContact O-N 3.37Å; M74-W77 VanDerWaalsContact O-N 3.15Å; A75-W77 VanDerWaalsContact C-N 3.29Å; A75-W77 PolarHBondContact O-N 2.97Å; W77-Y79 VanDerWaalsContact C-N 3.31Å; W77-Y79 PolarHBondContact O-N 3.02Å; W77-L80 PolarHBondContact O-N 2.65Å; W77-N81 VanDerWaalsContact CD1-ND2 3.3Å; W77-N81 HydrophobicContact CD2-CB 4.47Å; W77-N81 HydrophobicContact CH2-CB 4.43Å; W77-N81 HydrophobicContact CZ2-CB 4.28Å; W77-N81 PolarHBondContact NE1-ND2 3.44Å; W77-N81 WeakPolarHBondContact O-CB 3.34Å; W77-N81 PolarHBondContact O-N 3.08Å; W77-N81 PolarHBondContact O-ND2 3.43Å; W77-G164 WeakPolarHBondContact CZ2-O 3.33Å; W77-S165 VanDerWaalsContact CZ3-CB 3.5Å; W77-P166 HydrophobicContact CB-CG 3.77Å; W77-P166 VanDerWaalsContact CD2-CD 3.48Å; W77-P166 HydrophobicContact CD2-CG 4.47Å; W77-P166 HydrophobicContact CG-CG 3.76Å; W77-T236 HydrophobicContact CH2-CG2 4.45Å; W77-T236 HydrophobicContact CZ3-CG2 3.81Å
78I95.1Very high84.9Confident1 Ų140.9 Ų40.91%0.00521%0.212CC..Hα-helixtrans-61.7-44.5179.5-62.8166.9000110.1M74 A75 N81 R82 V85 L128 C132 V134M74-I78 WeakPolarHBondContact O-CG1 3.4Å; M74-I78 PolarHBondContact O-N 3.44Å; A75-I78 PolarHBondContact O-N 2.88Å; A75-I78 VanDerWaalsContact O-N 3.12Å; I78-N81 PolarHBondContact O-N 3.23Å; I78-R82 HydrophobicContact CG2-CG 4.31Å; I78-R82 WeakPolarHBondContact O-CB 3.46Å; I78-R82 PolarHBondContact O-N 2.9Å; I78-V85 HydrophobicContact CG2-CG2 4.12Å; I78-L128 HydrophobicContact CD1-CD2 4.01Å; I78-C132 HydrophobicContact CD1-CB 4.07Å; I78-C132 HydrophobicContact CG2-CB 3.95Å; I78-V134 HydrophobicContact CD1-CB 4.11Å; I78-V134 HydrophobicContact CD1-CG1 4.32Å; I78-V134 HydrophobicContact CD1-CG2 3.89Å; I78-V134 HydrophobicContact CG1-CG2 4.44Å; I78-V134 HydrophobicContact CG2-CG2 3.88Å
79Y92.6Very high83.3Confident74 Ų7447.3 Ų47.329%0.2925%0.252SS..Hα-helixtrans-59.4-46.8177.1-177-88.7000112.5A75 S76 W77 N81 V85 Q88 R90 I91A75-Y79 WeakPolarHBondContact O-CB 3.22Å; A75-Y79 PolarHBondContact O-N 2.79Å; S76-Y79 PolarHBondContact O-N 2.72Å; W77-Y79 VanDerWaalsContact C-N 3.31Å; W77-Y79 PolarHBondContact O-N 3.02Å; Y79-N81 PolarHBondContact O-N 3.43Å; Y79-V85 HydrophobicContact CD2-CG1 4.01Å; Y79-Q88 HydrophobicContact CD2-CB 4.17Å; Y79-Q88 HydrophobicContact CE2-CB 3.98Å; Y79-R90 WeakPolarHBondContact CD2-O 3.18Å; Y79-I91 HydrophobicContact CD1-CB 4.19Å; Y79-I91 HydrophobicContact CD1-CG1 3.75Å; Y79-I91 HydrophobicContact CD1-CG2 4.23Å; Y79-I91 HydrophobicContact CE1-CG1 3.65Å; Y79-I91 HydrophobicContact CG-CB 4.4Å; Y79-I91 HydrophobicContact CG-CG1 4.39Å; Y79-I91 HydrophobicContact CG-CG2 4.45Å
80L92.6Very high82.4Confident61 Ų6151.6 Ų51.632%0.31927%0.268SS..Hα-helixtrans-74.3-23.2-175.5-70.4171.3000113.7D48 L50 S76 W77D48-L80 HydrophobicContact CB-CB 4.36Å; D48-L80 HydrophobicContact CB-CD1 4Å; L50-L80 HydrophobicContact CG-CD1 4.33Å; S76-L80 WeakPolarHBondContact O-CB 3.43Å; S76-L80 WeakPolarHBondContact O-CG 3.38Å; S76-L80 PolarHBondContact O-N 2.96Å; W77-L80 PolarHBondContact O-N 2.65Å
81N92.1Very high82Confident61 Ų6153.6 Ų53.633%0.32628%0.278SS..Hα-helixtrans-116.2-10.1-170.6-58.6-76.3000114.5G47 D48 W77 I78 Y79G47-N81 WeakPolarHBondContact CA-OD1 3.13Å; D48-N81 PolarHBondContact N-ND2 2.81Å; D48-N81 PolarHBondContact N-OD1 3.29Å; D48-N81 PolarHBondContact O-ND2 3.43Å; W77-N81 VanDerWaalsContact CD1-ND2 3.3Å; W77-N81 HydrophobicContact CD2-CB 4.47Å; W77-N81 HydrophobicContact CH2-CB 4.43Å; W77-N81 HydrophobicContact CZ2-CB 4.28Å; W77-N81 PolarHBondContact NE1-ND2 3.44Å; W77-N81 WeakPolarHBondContact O-CB 3.34Å; W77-N81 PolarHBondContact O-N 3.08Å; W77-N81 PolarHBondContact O-ND2 3.43Å; I78-N81 PolarHBondContact O-N 3.23Å; Y79-N81 PolarHBondContact O-N 3.43Å
82R83.9Confident81.8Confident64 Ų6454.4 Ų54.424%0.24228%0.284CS..  trans-113.4122.5176.9-62.3-166.375.2-166-1112.1I78 T84 V85I78-R82 HydrophobicContact CG2-CG 4.31Å; I78-R82 WeakPolarHBondContact O-CB 3.46Å; I78-R82 PolarHBondContact O-N 2.9Å; R82-T84 VanDerWaalsContact C-N 3.29Å; R82-T84 PolarHBondContact O-N 3.25Å; R82-V85 HydrophobicContact CB-CG2 4.02Å; R82-V85 PolarHBondContact O-N 2.87Å
83S65.1Low81.6Confident88 Ų8854.7 Ų54.762%0.61529%0.287SS*.G310 helixtrans-67.7-21.6177.732.50000114.3V85 Q86S83-V85 PolarHBondContact O-N 3.41Å; S83-Q86 VanDerWaalsContact O-CD 3.23Å; S83-Q86 WeakPolarHBondContact O-CG 3.42Å; S83-Q86 PolarHBondContact O-N 3.46Å
84T58Low81.5Confident105 Ų10556 Ų5664%0.64430%0.296SS*.G310 helixtrans-72-11.8178.751.70000113.8R82 Q86R82-T84 VanDerWaalsContact C-N 3.29Å; R82-T84 PolarHBondContact O-N 3.25Å; T84-Q86 VanDerWaalsContact C-N 3.33Å
85V58.3Low81.5Confident10 Ų1055.9 Ų55.96%0.06130%0.295CS..G310 helixtrans-93.85.6-176-168.80000111.7I78 Y79 R82 S83 N87 Q88I78-V85 HydrophobicContact CG2-CG2 4.12Å; Y79-V85 HydrophobicContact CD2-CG1 4.01Å; R82-V85 HydrophobicContact CB-CG2 4.02Å; R82-V85 PolarHBondContact O-N 2.87Å; S83-V85 PolarHBondContact O-N 3.41Å; V85-N87 PolarHBondContact O-N 3.22Å; V85-Q88 HydrophobicContact CG1-CB 3.9Å; V85-Q88 HydrophobicContact CG1-CG 3.59Å; V85-Q88 WeakPolarHBondContact O-CB 3.2Å; V85-Q88 PolarHBondContact O-N 3.33Å
86Q51.2Low81.6Confident157 Ų15758.8 Ų58.873%0.73431%0.314SS*.THydrogen-bonded Turntrans-58.8-13.9-176.8-78.9172-3.100115.5S83 T84S83-Q86 VanDerWaalsContact O-CD 3.23Å; S83-Q86 WeakPolarHBondContact O-CG 3.42Å; S83-Q86 PolarHBondContact O-N 3.46Å; T84-Q86 VanDerWaalsContact C-N 3.33Å
87N52.7Low81.6Confident161 Ų16161.9 Ų61.986%0.86133%0.329SS*.THydrogen-bonded Turntrans-90-3.8173.4-68.2-25.2000113.8V85V85-N87 PolarHBondContact O-N 3.22Å
88Q63.4Low81.7Confident49 Ų4961.2 Ų61.223%0.22933%0.326CS..  trans-77.3127.6172.6-76.9-173.6-9.300110.6Y79 V85 R90 F131Y79-Q88 HydrophobicContact CD2-CB 4.17Å; Y79-Q88 HydrophobicContact CE2-CB 3.98Å; V85-Q88 HydrophobicContact CG1-CB 3.9Å; V85-Q88 HydrophobicContact CG1-CG 3.59Å; V85-Q88 WeakPolarHBondContact O-CB 3.2Å; V85-Q88 PolarHBondContact O-N 3.33Å; Q88-R90 VanDerWaalsContact C-N 3.27Å; Q88-R90 PolarHBondContact O-N 2.96Å; Q88-F131 PolarHBondContact NE2-O 3.35Å
89T66.1Low81.8Confident134 Ų13461.3 Ų61.382%0.82233%0.327SS*.SBendtrans-79.3-7.7177.449.80000113.5
90R78.8Confident82.1Confident91 Ų9162 Ų6234%0.34333%0.333SS..SBendtrans-139.4146.7-176.9-66.1-175.1178.6169.8-2111.7Y79 Q88 Q97Y79-R90 WeakPolarHBondContact CD2-O 3.18Å; Q88-R90 VanDerWaalsContact C-N 3.27Å; Q88-R90 PolarHBondContact O-N 2.96Å; R90-Q97 VanDerWaalsContact NH1-OE1 3.07Å
91I89.6Confident82.4Confident44 Ų4459.2 Ų59.223%0.22632%0.318CS..SBendtrans-68.1-33.6-180-64.8168.5000112.6V21 L50 A75 Y79V21-I91 HydrophobicContact CG1-CB 4.4Å; V21-I91 HydrophobicContact CG1-CD1 3.93Å; L50-I91 HydrophobicContact CD1-CD1 4.2Å; L50-I91 HydrophobicContact CD1-CG2 3.96Å; A75-I91 CarbonylContact C-O 3.56Å; Y79-I91 HydrophobicContact CD1-CB 4.19Å; Y79-I91 HydrophobicContact CD1-CG1 3.75Å; Y79-I91 HydrophobicContact CD1-CG2 4.23Å; Y79-I91 HydrophobicContact CE1-CG1 3.65Å; Y79-I91 HydrophobicContact CG-CB 4.4Å; Y79-I91 HydrophobicContact CG-CG1 4.39Å; Y79-I91 HydrophobicContact CG-CG2 4.45Å
92A93.6Very high82.7Confident16 Ų1656.3 Ų56.313%0.13230%0.303CS..SBendtrans-153.6152.2178.900000110.6F52 Q72 A75F52-A92 HydrophobicContact CE1-CB 4.47Å; F52-A92 HydrophobicContact CE2-CB 4.3Å; F52-A92 HydrophobicContact CZ-CB 3.89Å; Q72-A92 HydrophobicContact CB-CB 4Å; Q72-A92 HydrophobicContact CG-CB 4.11Å; A75-A92 HydrophobicContact CB-CB 4.11Å
93P95.4Very high83.4Confident11 Ų1154.7 Ų54.77%0.07130%0.3CS..  trans-69.6147.4173.330-34.9000111.2Q72 Q97 I98 F131Q72-P93 WeakPolarHBondContact CG-O 3.27Å; Q72-P93 PolarHBondContact NE2-O 2.77Å; P93-Q97 HydrophobicContact CB-CB 4.09Å; P93-I98 HydrophobicContact CB-CG1 3.96Å; P93-I98 HydrophobicContact CG-CD1 4.12Å; P93-I98 HydrophobicContact CG-CG1 3.76Å; P93-F131 HydrophobicContact CB-CD1 4.34Å; P93-F131 HydrophobicContact CB-CD2 4.04Å; P93-F131 HydrophobicContact CB-CE1 4.18Å; P93-F131 HydrophobicContact CB-CE2 3.86Å; P93-F131 HydrophobicContact CB-CG 4.28Å; P93-F131 HydrophobicContact CB-CZ 3.94Å; P93-F131 HydrophobicContact CG-CD2 3.93Å; P93-F131 HydrophobicContact CG-CE2 4.15Å; P93-F131 HydrophobicContact CG-CG 4.28Å
94S96.2Very high85Confident32 Ų3254.6 Ų54.622%0.22430%0.296CS..  trans-74.3163.4171.271.20000111.9Q97 I98S94-Q97 WeakPolarHBondContact O-CB 3.37Å; S94-Q97 PolarHBondContact O-N 2.85Å; S94-Q97 WeakPolarHBondContact OG-CG 3.39Å; S94-Q97 PolarHBondContact OG-N 2.91Å; S94-Q97 PolarHBondContact OG-OE1 2.94Å; S94-I98 WeakPolarHBondContact O-CG1 3.43Å; S94-I98 PolarHBondContact O-N 2.88Å
95L97.6Very high86.9Confident0 Ų052.9 Ų52.90%028%0.281CS..Hα-helixtrans-52.6-48.6175.8-87.360.9000112.3D61 W64 Y68 R69 Q97 I98 Q99D61-L95 HydrophobicContact CB-CD2 3.59Å; W64-L95 HydrophobicContact CH2-CD2 3.76Å; W64-L95 HydrophobicContact CZ2-CD2 4.4Å; W64-L95 HydrophobicContact CZ3-CD2 4.07Å; Y68-L95 HydrophobicContact CD1-CB 4.33Å; Y68-L95 HydrophobicContact CD1-CG 3.89Å; Y68-L95 HydrophobicContact CG-CD1 4.42Å; Y68-L95 HydrophobicContact CG-CD2 4.42Å; Y68-L95 HydrophobicContact CG-CG 3.79Å; R69-L95 VanDerWaalsContact NH1-CD1 3.33Å; L95-Q97 VanDerWaalsContact C-N 3.32Å; L95-Q97 PolarHBondContact O-N 2.95Å; L95-I98 WeakPolarHBondContact O-CB 3.41Å; L95-I98 PolarHBondContact O-N 2.81Å; L95-Q99 WeakPolarHBondContact O-CG 3.22Å; L95-Q99 PolarHBondContact O-N 3.11Å
96P97.3Very high88.8Confident63 Ų6355.5 Ų55.541%0.40931%0.31SS..Hα-helixtrans-60.5-36.5174.1-26.634.8000114.2Q99 Q100P96-Q99 PolarHBondContact O-N 2.98Å; P96-Q100 WeakPolarHBondContact O-CB 3.45Å; P96-Q100 PolarHBondContact O-N 3.43Å
97Q97.3Very high91Very high64 Ų6450.5 Ų50.530%0.29929%0.288SS..Hα-helixtrans-66.5-40176.7-71.2178.2-69.100111.5R90 P93 S94 L95 Q100 A101 F131R90-Q97 VanDerWaalsContact NH1-OE1 3.07Å; P93-Q97 HydrophobicContact CB-CB 4.09Å; S94-Q97 WeakPolarHBondContact O-CB 3.37Å; S94-Q97 PolarHBondContact O-N 2.85Å; S94-Q97 WeakPolarHBondContact OG-CG 3.39Å; S94-Q97 PolarHBondContact OG-N 2.91Å; S94-Q97 PolarHBondContact OG-OE1 2.94Å; L95-Q97 VanDerWaalsContact C-N 3.32Å; L95-Q97 PolarHBondContact O-N 2.95Å; Q97-Q100 PolarHBondContact O-N 3.4Å; Q97-A101 WeakPolarHBondContact O-CB 3.41Å; Q97-A101 PolarHBondContact O-N 3.42Å; Q97-F131 HydrophobicContact CB-CZ 4.14Å
98I98.4Very high93.2Very high0 Ų045 Ų450%026%0.257CS..Hα-helixtrans-61.6-48.3174.7-66169.7000110.2Y68 I71 Q72 P93 S94 L95 Q100 A101 L102 I119 V127Y68-I98 HydrophobicContact CD1-CB 3.85Å; Y68-I98 HydrophobicContact CD1-CD1 3.91Å; Y68-I98 HydrophobicContact CD1-CG1 4.48Å; Y68-I98 HydrophobicContact CD1-CG2 3.59Å; Y68-I98 HydrophobicContact CE1-CB 4.08Å; Y68-I98 HydrophobicContact CE1-CG2 3.66Å; I71-I98 HydrophobicContact CB-CD1 4.47Å; I71-I98 HydrophobicContact CG2-CD1 4.12Å; Q72-I98 HydrophobicContact CG-CD1 4.41Å; P93-I98 HydrophobicContact CB-CG1 3.96Å; P93-I98 HydrophobicContact CG-CD1 4.12Å; P93-I98 HydrophobicContact CG-CG1 3.76Å; S94-I98 WeakPolarHBondContact O-CG1 3.43Å; S94-I98 PolarHBondContact O-N 2.88Å; L95-I98 WeakPolarHBondContact O-CB 3.41Å; L95-I98 PolarHBondContact O-N 2.81Å; I98-Q100 PolarHBondContact O-N 2.94Å; I98-A101 PolarHBondContact O-N 2.77Å; I98-L102 HydrophobicContact CG2-CD1 4.21Å; I98-L102 WeakPolarHBondContact O-CG 3.36Å; I98-L102 PolarHBondContact O-N 2.6Å; I98-L102 VanDerWaalsContact O-N 3.11Å; I98-I119 HydrophobicContact CG2-CD1 3.77Å; I98-V127 HydrophobicContact CG1-CG1 4.02Å; I98-V127 HydrophobicContact CG2-CG1 4.15Å; I98-V127 HydrophobicContact CG2-CG2 3.79Å
99Q98.6Very high94.8Very high2 Ų246.5 Ų46.51%0.00927%0.27CS..Hα-helixtrans-60.1-46.5178-68.4176.5-21.800111.9Y68 L95 P96 A101 L102 V103 F112 S115Y68-Q99 HydrophobicContact CE1-CG 3.78Å; Y68-Q99 PolarHBondContact OH-NE2 3.49Å; L95-Q99 WeakPolarHBondContact O-CG 3.22Å; L95-Q99 PolarHBondContact O-N 3.11Å; P96-Q99 PolarHBondContact O-N 2.98Å; Q99-A101 VanDerWaalsContact C-N 3.31Å; Q99-A101 PolarHBondContact O-N 3.38Å; Q99-L102 PolarHBondContact O-N 3.01Å; Q99-V103 WeakPolarHBondContact O-CG2 3.39Å; Q99-V103 PolarHBondContact O-N 3.28Å; Q99-V103 VanDerWaalsContact O-N 3.08Å; Q99-F112 HydrophobicContact CB-CD1 4.03Å; Q99-F112 HydrophobicContact CB-CE1 3.99Å; Q99-F112 HydrophobicContact CG-CD1 4.17Å; Q99-F112 HydrophobicContact CG-CE1 3.76Å; Q99-F112 HydrophobicContact CG-CZ 4.48Å; Q99-S115 PolarHBondContact NE2-O 2.58Å
100Q98.4Very high96.4Very high89 Ų8942.8 Ų42.842%0.41626%0.259SS..Hα-helixtrans-63.5-37.7179-172.157.457.500112P96 Q97 I98 V103 T104 S113P96-Q100 WeakPolarHBondContact O-CB 3.45Å; P96-Q100 PolarHBondContact O-N 3.43Å; Q97-Q100 PolarHBondContact O-N 3.4Å; I98-Q100 PolarHBondContact O-N 2.94Å; Q100-V103 PolarHBondContact O-N 3.21Å; Q100-T104 PolarHBondContact NE2-OG1 3.39Å; Q100-T104 WeakPolarHBondContact O-CB 3.29Å; Q100-T104 PolarHBondContact O-N 2.7Å; Q100-T104 PolarHBondContact O-OG1 2.71Å; Q100-S113 PolarHBondContact OE1-OG 2.88Å
101A98.1Very high97.3Very high2 Ų242.8 Ų42.82%0.01727%0.273CS..Hα-helixtrans-62.5-44.817600000111.7Q97 I98 Q99 V103 T104 M105 Y130 F131Q97-A101 WeakPolarHBondContact O-CB 3.41Å; Q97-A101 PolarHBondContact O-N 3.42Å; I98-A101 PolarHBondContact O-N 2.77Å; Q99-A101 VanDerWaalsContact C-N 3.31Å; Q99-A101 PolarHBondContact O-N 3.38Å; A101-V103 VanDerWaalsContact C-N 3.32Å; A101-V103 PolarHBondContact O-N 3.46Å; A101-T104 PolarHBondContact O-N 2.69Å; A101-M105 HydrophobicContact CB-CE 4.36Å; A101-M105 WeakPolarHBondContact O-CE 3.45Å; A101-M105 WeakPolarHBondContact O-CG 3.43Å; A101-M105 PolarHBondContact O-N 3.3Å; A101-Y130 HydrophobicContact CB-CD1 3.78Å; A101-Y130 HydrophobicContact CB-CE1 3.88Å; A101-Y130 HydrophobicContact CB-CG 4.3Å; A101-F131 HydrophobicContact CB-CE2 3.57Å; A101-F131 HydrophobicContact CB-CZ 3.81Å
102L98.7Very high97.7Very high0 Ų040.8 Ų40.80%026%0.263CS..Hα-helixtrans-62.6-37.9177.6-69.5166.5000112.4I98 Q99 M105 G106 D107 K108 F112 I119 E123 L126 V127I98-L102 HydrophobicContact CG2-CD1 4.21Å; I98-L102 WeakPolarHBondContact O-CG 3.36Å; I98-L102 PolarHBondContact O-N 2.6Å; I98-L102 VanDerWaalsContact O-N 3.11Å; Q99-L102 PolarHBondContact O-N 3.01Å; L102-M105 HydrophobicContact CD2-CE 4.04Å; L102-G106 PolarHBondContact O-N 3.21Å; L102-D107 HydrophobicContact CD2-CB 4.34Å; L102-D107 PolarHBondContact O-N 2.97Å; L102-K108 HydrophobicContact CB-CB 4.32Å; L102-K108 HydrophobicContact CB-CG 3.88Å; L102-K108 PolarHBondContact O-N 2.68Å; L102-F112 HydrophobicContact CB-CE1 4.33Å; L102-F112 HydrophobicContact CD1-CE1 3.76Å; L102-F112 HydrophobicContact CD1-CZ 4.23Å; L102-I119 HydrophobicContact CD1-CD1 4.48Å; L102-I119 HydrophobicContact CD1-CG2 3.99Å; L102-E123 HydrophobicContact CD1-CB 4.08Å; L102-E123 HydrophobicContact CD1-CG 4.13Å; L102-E123 HydrophobicContact CD2-CB 3.86Å; L102-E123 HydrophobicContact CD2-CG 3.96Å; L102-L126 HydrophobicContact CD2-CB 4.35Å; L102-L126 HydrophobicContact CD2-CD1 4.19Å; L102-V127 HydrophobicContact CD1-CG2 4.32Å; L102-V127 HydrophobicContact CD2-CG2 3.89Å; L102-V127 HydrophobicContact CG-CG2 3.96Å
103V98.6Very high97.8Very high31 Ų3142.3 Ų42.319%0.18827%0.272CS..Hα-helixtrans-65.7-46.1171.9174.10000111.3Q99 Q100 A101 M105 G106 K108 P109 F112Q99-V103 WeakPolarHBondContact O-CG2 3.39Å; Q99-V103 PolarHBondContact O-N 3.28Å; Q99-V103 VanDerWaalsContact O-N 3.08Å; Q100-V103 PolarHBondContact O-N 3.21Å; A101-V103 VanDerWaalsContact C-N 3.32Å; A101-V103 PolarHBondContact O-N 3.46Å; V103-M105 VanDerWaalsContact C-N 3.29Å; V103-M105 PolarHBondContact O-N 2.88Å; V103-G106 PolarHBondContact O-N 2.75Å; V103-K108 HydrophobicContact CG2-CB 4.32Å; V103-P109 WeakPolarHBondContact CG2-O 3.21Å; V103-F112 HydrophobicContact CG2-CB 4.09Å; V103-F112 HydrophobicContact CG2-CD1 4.41Å
104T98.3Very high97.8Very high85 Ų8545 Ų4552%0.52130%0.302SS..Hα-helixtrans-61.3-36.9-179.9-63.50000112.2Q100 A101 G106Q100-T104 PolarHBondContact NE2-OG1 3.39Å; Q100-T104 WeakPolarHBondContact O-CB 3.29Å; Q100-T104 PolarHBondContact O-N 2.7Å; Q100-T104 PolarHBondContact O-OG1 2.71Å; A101-T104 PolarHBondContact O-N 2.69Å; T104-G106 PolarHBondContact O-N 3Å
105M98.3Very high97.9Very high70 Ų7044.5 Ų44.535%0.34530%0.299SS..THydrogen-bonded Turntrans-75.8-6.7176-69.1-175.5-7100113.5A101 L102 V103 D107 L126 Y130A101-M105 HydrophobicContact CB-CE 4.36Å; A101-M105 WeakPolarHBondContact O-CE 3.45Å; A101-M105 WeakPolarHBondContact O-CG 3.43Å; A101-M105 PolarHBondContact O-N 3.3Å; L102-M105 HydrophobicContact CD2-CE 4.04Å; V103-M105 VanDerWaalsContact C-N 3.29Å; V103-M105 PolarHBondContact O-N 2.88Å; M105-D107 VanDerWaalsContact C-N 3.27Å; M105-D107 PolarHBondContact O-N 3.23Å; M105-L126 HydrophobicContact CE-CB 3.71Å; M105-L126 HydrophobicContact SD-CB 4.17Å; M105-Y130 HydrophobicContact CE-CD2 4.45Å; M105-Y130 HydrophobicContact CE-CG 4.41Å; M105-Y130 HydrophobicContact CG-CD2 3.81Å; M105-Y130 HydrophobicContact CG-CE2 4.24Å; M105-Y130 HydrophobicContact SD-CD2 3.69Å; M105-Y130 HydrophobicContact SD-CG 4.06Å
106G98.1Very high97.9Very high64 Ų6453.7 Ų53.766%0.6633%0.333SS*.THydrogen-bonded Turntrans76.49.4-17800000114.6L102 V103 T104L102-G106 PolarHBondContact O-N 3.21Å; V103-G106 PolarHBondContact O-N 2.75Å; T104-G106 PolarHBondContact O-N 3Å
107D98.3Very high97.9Very high53 Ų5355.2 Ų55.228%0.28334%0.335SS..SBendtrans-72.1-35.5176.2-179.874.2000111.7L102 M105 F122 L126L102-D107 HydrophobicContact CD2-CB 4.34Å; L102-D107 PolarHBondContact O-N 2.97Å; M105-D107 VanDerWaalsContact C-N 3.27Å; M105-D107 PolarHBondContact O-N 3.23Å; D107-F122 WeakPolarHBondContact OD1-CE1 3.15Å; D107-L126 HydrophobicContact CB-CD1 3.84Å
108K98.3Very high97.8Very high46 Ų4659.9 Ų59.920%0.235%0.35CS..SBendtrans-122.6150.5-179.7-61.3-67179.3-179.20111.9L102 V103 F112 E123L102-K108 HydrophobicContact CB-CB 4.32Å; L102-K108 HydrophobicContact CB-CG 3.88Å; L102-K108 PolarHBondContact O-N 2.68Å; V103-K108 HydrophobicContact CG2-CB 4.32Å; K108-F112 HydrophobicContact CB-CB 3.66Å; K108-F112 HydrophobicContact CB-CD1 3.73Å; K108-F112 HydrophobicContact CB-CD2 4.21Å; K108-F112 HydrophobicContact CB-CE1 4.43Å; K108-F112 HydrophobicContact CB-CG 3.61Å; K108-F112 HydrophobicContact CD-CD2 3.96Å; K108-F112 HydrophobicContact CD-CE2 4.02Å; K108-F112 HydrophobicContact CD-CG 4.24Å; K108-F112 HydrophobicContact CD-CZ 4.38Å; K108-F112 HydrophobicContact CG-CB 4.39Å; K108-F112 HydrophobicContact CG-CD1 3.74Å; K108-F112 HydrophobicContact CG-CD2 4.02Å; K108-F112 HydrophobicContact CG-CE1 3.94Å; K108-F112 HydrophobicContact CG-CE2 4.2Å; K108-F112 HydrophobicContact CG-CG 3.79Å; K108-F112 HydrophobicContact CG-CZ 4.18Å; K108-E123 WeakPolarHBondContact CE-OE1 3.03Å; K108-E123 IonicContact NZ-OE1 2.78Å; K108-E123 PolarHBondContact NZ-OE1 3.11Å
109P98.1Very high97.6Very high79 Ų7960.1 Ų60.151%0.51335%0.351SS..  trans-69159.8174.431-36.4000111.3V103 S111 F112V103-P109 WeakPolarHBondContact CG2-O 3.21Å; P109-S111 PolarHBondContact O-N 3.36Å; P109-F112 WeakPolarHBondContact O-CB 3.19Å; P109-F112 PolarHBondContact O-N 3.41Å
110G98.1Very high97.5Very high56 Ų5660.7 Ų60.758%0.57736%0.357SS*.G310 helixtrans-55-28.617900000114.8F112 S113G110-F112 PolarHBondContact O-N 3.5Å; G110-S113 PolarHBondContact O-N 3.34Å
111S98.1Very high97.3Very high92 Ų9256.9 Ų56.964%0.64334%0.34SS*.G310 helixtrans-65.7-16.1175.757.40000114.5P109 S113P109-S111 PolarHBondContact O-N 3.36Å; S111-S113 VanDerWaalsContact C-N 3.32Å
112F98.2Very high97.2Very high1 Ų162 Ų620%0.00436%0.362CS..G310 helixtrans-70.4-30.3178.1-174.6-102.1000112.3Y68 Q99 L102 V103 K108 P109 G110 G114 S115 E117 I119Y68-F112 VanDerWaalsContact OH-CZ 3.28Å; Y68-F112 WeakPolarHBondContact OH-CZ 3.23Å; Q99-F112 HydrophobicContact CB-CD1 4.03Å; Q99-F112 HydrophobicContact CB-CE1 3.99Å; Q99-F112 HydrophobicContact CG-CD1 4.17Å; Q99-F112 HydrophobicContact CG-CE1 3.76Å; Q99-F112 HydrophobicContact CG-CZ 4.48Å; L102-F112 HydrophobicContact CB-CE1 4.33Å; L102-F112 HydrophobicContact CD1-CE1 3.76Å; L102-F112 HydrophobicContact CD1-CZ 4.23Å; V103-F112 HydrophobicContact CG2-CB 4.09Å; V103-F112 HydrophobicContact CG2-CD1 4.41Å; K108-F112 HydrophobicContact CB-CB 3.66Å; K108-F112 HydrophobicContact CB-CD1 3.73Å; K108-F112 HydrophobicContact CB-CD2 4.21Å; K108-F112 HydrophobicContact CB-CE1 4.43Å; K108-F112 HydrophobicContact CB-CG 3.61Å; K108-F112 HydrophobicContact CD-CD2 3.96Å; K108-F112 HydrophobicContact CD-CE2 4.02Å; K108-F112 HydrophobicContact CD-CG 4.24Å; K108-F112 HydrophobicContact CD-CZ 4.38Å; K108-F112 HydrophobicContact CG-CB 4.39Å; K108-F112 HydrophobicContact CG-CD1 3.74Å; K108-F112 HydrophobicContact CG-CD2 4.02Å; K108-F112 HydrophobicContact CG-CE1 3.94Å; K108-F112 HydrophobicContact CG-CE2 4.2Å; K108-F112 HydrophobicContact CG-CG 3.79Å; K108-F112 HydrophobicContact CG-CZ 4.18Å; P109-F112 WeakPolarHBondContact O-CB 3.19Å; P109-F112 PolarHBondContact O-N 3.41Å; G110-F112 PolarHBondContact O-N 3.5Å; F112-G114 PolarHBondContact O-N 3.29Å; F112-S115 WeakPolarHBondContact O-CB 3.07Å; F112-S115 PolarHBondContact O-N 3.5Å; F112-S115 PolarHBondContact O-OG 3.32Å; F112-E117 HydrophobicContact CD2-CB 3.95Å; F112-E117 HydrophobicContact CD2-CG 4.36Å; F112-E117 HydrophobicContact CE2-CB 3.49Å; F112-E117 VanDerWaalsContact CE2-CB 3.49Å; F112-E117 HydrophobicContact CE2-CG 4.37Å; F112-E117 HydrophobicContact CZ-CB 4.47Å; F112-I119 HydrophobicContact CE1-CG2 4.38Å; F112-I119 HydrophobicContact CE2-CG2 4.35Å; F112-I119 HydrophobicContact CZ-CG2 3.53Å
113S96.4Very high97.2Very high48 Ų4863.2 Ų63.234%0.33637%0.368SS..THydrogen-bonded Turntrans-66.8124.1177-164.20000110.3Q100 G110 S111 S115Q100-S113 PolarHBondContact OE1-OG 2.88Å; G110-S113 PolarHBondContact O-N 3.34Å; S111-S113 VanDerWaalsContact C-N 3.32Å; S113-S115 VanDerWaalsContact C-N 3.26Å; S113-S115 PolarHBondContact O-N 2.84Å
114G95.4Very high97.1Very high67 Ų6761.7 Ų61.769%0.69136%0.359SS*.THydrogen-bonded Turntrans79.71.3-17400000114.7F112F112-G114 PolarHBondContact O-N 3.29Å
115S97.7Very high97.1Very high23 Ų2358.4 Ų58.416%0.16134%0.339CS..  trans-73176.5174.278.70000112Q99 F112 S113 E117Q99-S115 PolarHBondContact NE2-O 2.58Å; F112-S115 WeakPolarHBondContact O-CB 3.07Å; F112-S115 PolarHBondContact O-N 3.5Å; F112-S115 PolarHBondContact O-OG 3.32Å; S113-S115 VanDerWaalsContact C-N 3.26Å; S113-S115 PolarHBondContact O-N 2.84Å; S115-E117 PolarHBondContact OG-N 3.24Å
116R97.5Very high97.1Very high192 Ų19257.1 Ų57.173%0.72533%0.333SS*.  trans-115.229.5169.5-62.7-177179-179.3-2.1111.3W64W64-R116 WeakPolarHBondContact CB-O 3.38Å; W64-R116 HydrophobicContact CD2-CB 3.76Å; W64-R116 HydrophobicContact CD2-CG 4.24Å; W64-R116 HydrophobicContact CE3-CB 4.29Å; W64-R116 HydrophobicContact CG-CB 3.9Å; W64-R116 HydrophobicContact CZ2-CB 4.4Å; W64-R116 HydrophobicContact CZ2-CG 3.99Å
117E96.8Very high97.1Very high95 Ų9554.1 Ų54.144%0.44430%0.302SS..  trans-72.9147.9176.7-68.7-176.2-109.900110.4Y68 F112 S115Y68-E117 WeakPolarHBondContact CE2-O 3.37Å; Y68-E117 PolarHBondContact OH-O 3.31Å; Y68-E117 VanDerWaalsContact OH-O 3.09Å; F112-E117 HydrophobicContact CD2-CB 3.95Å; F112-E117 HydrophobicContact CD2-CG 4.36Å; F112-E117 HydrophobicContact CE2-CB 3.49Å; F112-E117 VanDerWaalsContact CE2-CB 3.49Å; F112-E117 HydrophobicContact CE2-CG 4.37Å; F112-E117 HydrophobicContact CZ-CB 4.47Å; S115-E117 PolarHBondContact OG-N 3.24Å
118W94.8Very high97Very high163 Ų16351.6 Ų51.662%0.61729%0.289SS*.  trans-83.8161.8175.763.3-87.3000110.7
119I95.9Very high96.9Very high5 Ų553 Ų533%0.02630%0.298CS..  trans-133.6153.4175.559.4177000111Y68 I71 I98 L102 F112 E123Y68-I119 HydrophobicContact CD1-CD1 3.57Å; Y68-I119 HydrophobicContact CD1-CG1 4.34Å; Y68-I119 HydrophobicContact CD2-CD1 4.01Å; Y68-I119 HydrophobicContact CD2-CG1 3.88Å; Y68-I119 HydrophobicContact CE1-CD1 3.56Å; Y68-I119 HydrophobicContact CE1-CG1 4.22Å; Y68-I119 HydrophobicContact CE2-CD1 4.03Å; Y68-I119 HydrophobicContact CE2-CG1 3.77Å; Y68-I119 HydrophobicContact CE2-CG2 4.31Å; Y68-I119 HydrophobicContact CG-CD1 3.81Å; Y68-I119 HydrophobicContact CG-CG1 4.19Å; I71-I119 HydrophobicContact CD1-CD1 3.47Å; I71-I119 VanDerWaalsContact CD1-CD1 3.47Å; I71-I119 HydrophobicContact CD1-CG1 4.39Å; I98-I119 HydrophobicContact CG2-CD1 3.77Å; L102-I119 HydrophobicContact CD1-CD1 4.48Å; L102-I119 HydrophobicContact CD1-CG2 3.99Å; F112-I119 HydrophobicContact CE1-CG2 4.38Å; F112-I119 HydrophobicContact CE2-CG2 4.35Å; F112-I119 HydrophobicContact CZ-CG2 3.53Å; I119-E123 HydrophobicContact CB-CB 3.85Å; I119-E123 HydrophobicContact CB-CG 4.07Å; I119-E123 HydrophobicContact CG2-CB 4.21Å; I119-E123 HydrophobicContact CG2-CG 4.06Å
120G95.1Very high96.7Very high13 Ų1354.8 Ų54.813%0.13430%0.296CS..  trans-114-164.2-175.600000113.8F122 E123 A124 M168G120-F122 VanDerWaalsContact C-N 3.27Å; G120-F122 PolarHBondContact O-N 3.47Å; G120-E123 WeakPolarHBondContact CA-OE2 3.44Å; G120-E123 PolarHBondContact N-OE2 3.33Å; G120-E123 PolarHBondContact O-N 2.61Å; G120-A124 WeakPolarHBondContact O-CB 3.39Å; G120-A124 PolarHBondContact O-N 2.9Å; G120-M168 WeakPolarHBondContact O-CE 3.29Å
121T95.4Very high96.5Very high9 Ų954.8 Ų54.86%0.05528%0.28CS..Hα-helixtrans-66.1-28.8-178.146.90000113.3S125 M168 N230 C232T121-S125 PolarHBondContact O-N 3.41Å; T121-S125 VanDerWaalsContact O-N 3.11Å; T121-M168 HydrophobicContact CG2-CE 4.23Å; T121-M168 HydrophobicContact CG2-CG 3.96Å; T121-M168 HydrophobicContact CG2-SD 4.43Å; T121-N230 HydrophobicContact CG2-CB 3.91Å; T121-N230 WeakPolarHBondContact CG2-O 3.42Å; T121-N230 WeakPolarHBondContact OG1-CB 3.43Å; T121-C232 HydrophobicContact CG2-CB 4.11Å
122F95.6Very high96.2Very high109 Ų10950.8 Ų50.848%0.47825%0.252SS..Hα-helixtrans-70.2-51.7177.4-179.5-108000110.3D107 G120 A124 S125 L126D107-F122 WeakPolarHBondContact OD1-CE1 3.15Å; G120-F122 VanDerWaalsContact C-N 3.27Å; G120-F122 PolarHBondContact O-N 3.47Å; F122-A124 PolarHBondContact O-N 3.46Å; F122-S125 WeakPolarHBondContact O-CB 3.46Å; F122-S125 PolarHBondContact O-N 3.23Å; F122-S125 PolarHBondContact O-OG 2.88Å; F122-L126 HydrophobicContact CD1-CD1 4.27Å; F122-L126 HydrophobicContact CE1-CD1 3.76Å; F122-L126 HydrophobicContact CE1-CG 4.31Å; F122-L126 HydrophobicContact CZ-CD1 4.18Å; F122-L126 HydrophobicContact CZ-CD2 4.25Å; F122-L126 HydrophobicContact CZ-CG 4.37Å; F122-L126 PolarHBondContact O-N 3.01Å
123E97.9Very high95.9Very high26 Ų2657 Ų5712%0.12129%0.286CS..Hα-helixtrans-59.1-37.4174.5-66.987.3171.900111.8L102 K108 I119 G120 S125 L126 V127L102-E123 HydrophobicContact CD1-CB 4.08Å; L102-E123 HydrophobicContact CD1-CG 4.13Å; L102-E123 HydrophobicContact CD2-CB 3.86Å; L102-E123 HydrophobicContact CD2-CG 3.96Å; K108-E123 WeakPolarHBondContact CE-OE1 3.03Å; K108-E123 IonicContact NZ-OE1 2.78Å; K108-E123 PolarHBondContact NZ-OE1 3.11Å; I119-E123 HydrophobicContact CB-CB 3.85Å; I119-E123 HydrophobicContact CB-CG 4.07Å; I119-E123 HydrophobicContact CG2-CB 4.21Å; I119-E123 HydrophobicContact CG2-CG 4.06Å; G120-E123 WeakPolarHBondContact CA-OE2 3.44Å; G120-E123 PolarHBondContact N-OE2 3.33Å; G120-E123 PolarHBondContact O-N 2.61Å; E123-S125 VanDerWaalsContact C-N 3.3Å; E123-S125 PolarHBondContact O-N 3.45Å; E123-L126 PolarHBondContact O-N 2.9Å; E123-V127 WeakPolarHBondContact O-CB 3.43Å; E123-V127 WeakPolarHBondContact O-CG2 3.36Å; E123-V127 PolarHBondContact O-N 3.14Å
124A97.9Very high95.8Very high0 Ų054.8 Ų54.80%027%0.27CS..Hα-helixtrans-57.5-41.4173.100000112.7I71 G120 F122 L126 V127 L128 M168I71-A124 HydrophobicContact CD1-CB 3.79Å; I71-A124 HydrophobicContact CG1-CB 3.56Å; G120-A124 WeakPolarHBondContact O-CB 3.39Å; G120-A124 PolarHBondContact O-N 2.9Å; F122-A124 PolarHBondContact O-N 3.46Å; A124-L126 PolarHBondContact O-N 3.06Å; A124-V127 PolarHBondContact O-N 3.01Å; A124-L128 WeakPolarHBondContact O-CB 3.39Å; A124-L128 VanDerWaalsContact O-CG 3.3Å; A124-L128 WeakPolarHBondContact O-CG 3.25Å; A124-L128 PolarHBondContact O-N 3Å; A124-M168 HydrophobicContact CB-SD 3.51Å; A124-M168 VanDerWaalsContact CB-SD 3.51Å
125S97.9Very high95.8Very high15 Ų1555 Ų5511%0.10526%0.259CS..Hα-helixtrans-62.3-42.3176.575.30000112.5T121 F122 E123 D129T121-S125 PolarHBondContact O-N 3.41Å; T121-S125 VanDerWaalsContact O-N 3.11Å; F122-S125 WeakPolarHBondContact O-CB 3.46Å; F122-S125 PolarHBondContact O-N 3.23Å; F122-S125 PolarHBondContact O-OG 2.88Å; E123-S125 VanDerWaalsContact C-N 3.3Å; E123-S125 PolarHBondContact O-N 3.45Å; S125-D129 WeakPolarHBondContact O-CB 3.42Å; S125-D129 PolarHBondContact O-N 3.19Å; S125-D129 VanDerWaalsContact O-N 3.16Å
126L98.3Very high95.8Very high43 Ų4355.1 Ų55.123%0.22526%0.259CS..Hα-helixtrans-65.9-42.5178.1-60.2179.3000111.5L102 M105 D107 F122 E123 A124 D129 Y130L102-L126 HydrophobicContact CD2-CB 4.35Å; L102-L126 HydrophobicContact CD2-CD1 4.19Å; M105-L126 HydrophobicContact CE-CB 3.71Å; M105-L126 HydrophobicContact SD-CB 4.17Å; D107-L126 HydrophobicContact CB-CD1 3.84Å; F122-L126 HydrophobicContact CD1-CD1 4.27Å; F122-L126 HydrophobicContact CE1-CD1 3.76Å; F122-L126 HydrophobicContact CE1-CG 4.31Å; F122-L126 HydrophobicContact CZ-CD1 4.18Å; F122-L126 HydrophobicContact CZ-CD2 4.25Å; F122-L126 HydrophobicContact CZ-CG 4.37Å; F122-L126 PolarHBondContact O-N 3.01Å; E123-L126 PolarHBondContact O-N 2.9Å; A124-L126 PolarHBondContact O-N 3.06Å; L126-D129 PolarHBondContact O-N 3.41Å; L126-Y130 VanDerWaalsContact O-CB 3.25Å; L126-Y130 WeakPolarHBondContact O-CB 3.16Å; L126-Y130 PolarHBondContact O-N 2.84Å
127V97.8Very high95.7Very high1 Ų149.8 Ų49.81%0.00624%0.242CC..Hα-helixtrans-70-41-176.3172.80000111.5I71 I98 L102 E123 A124 Y130 F131I71-V127 HydrophobicContact CD1-CB 4.44Å; I71-V127 HydrophobicContact CG2-CB 4.45Å; I71-V127 HydrophobicContact CG2-CG1 3.7Å; I98-V127 HydrophobicContact CG1-CG1 4.02Å; I98-V127 HydrophobicContact CG2-CG1 4.15Å; I98-V127 HydrophobicContact CG2-CG2 3.79Å; L102-V127 HydrophobicContact CD1-CG2 4.32Å; L102-V127 HydrophobicContact CD2-CG2 3.89Å; L102-V127 HydrophobicContact CG-CG2 3.96Å; E123-V127 WeakPolarHBondContact O-CB 3.43Å; E123-V127 WeakPolarHBondContact O-CG2 3.36Å; E123-V127 PolarHBondContact O-N 3.14Å; A124-V127 PolarHBondContact O-N 3.01Å; V127-Y130 PolarHBondContact O-N 3.26Å; V127-F131 HydrophobicContact CG1-CD2 3.75Å; V127-F131 HydrophobicContact CG1-CE2 4.06Å; V127-F131 WeakPolarHBondContact O-CD2 3.38Å; V127-F131 PolarHBondContact O-N 3.02Å
128L96.2Very high95.6Very high1 Ų148.3 Ų48.31%0.00524%0.239CC..Hα-helixtrans-68.1-36.2176.6-67.6176.4000112I71 M74 A75 I78 A124 C132 D133 V134 P234I71-L128 HydrophobicContact CG2-CD2 4.26Å; M74-L128 HydrophobicContact CB-CD1 4.19Å; M74-L128 HydrophobicContact CB-CD2 4.25Å; M74-L128 HydrophobicContact CE-CD1 3.44Å; M74-L128 VanDerWaalsContact CE-CD1 3.44Å; M74-L128 HydrophobicContact SD-CD1 4.13Å; A75-L128 HydrophobicContact CB-CD2 4.19Å; I78-L128 HydrophobicContact CD1-CD2 4.01Å; A124-L128 WeakPolarHBondContact O-CB 3.39Å; A124-L128 VanDerWaalsContact O-CG 3.3Å; A124-L128 WeakPolarHBondContact O-CG 3.25Å; A124-L128 PolarHBondContact O-N 3Å; L128-C132 WeakPolarHBondContact O-CA 3.46Å; L128-C132 WeakPolarHBondContact O-CB 3.45Å; L128-C132 PolarHBondContact O-N 2.97Å; L128-D133 PolarHBondContact O-N 3.44Å; L128-V134 CarbonylContact C-O 3.59Å; L128-V134 PolarHBondContact O-N 2.78Å; L128-P234 HydrophobicContact CD1-CG 4.1Å
129D95.1Very high95.6Very high75 Ų7541.5 Ų41.540%0.40122%0.215SC..Hα-helixtrans-64.2-51.5172.3-166.654.1000110.6S125 L126 F131 D133 V134S125-D129 WeakPolarHBondContact O-CB 3.42Å; S125-D129 PolarHBondContact O-N 3.19Å; S125-D129 VanDerWaalsContact O-N 3.16Å; L126-D129 PolarHBondContact O-N 3.41Å; D129-F131 PolarHBondContact O-N 3.47Å; D129-D133 VanDerWaalsContact O-CA 3.29Å; D129-D133 WeakPolarHBondContact O-CA 3.3Å; D129-D133 PolarHBondContact O-N 3.37Å; D129-V134 PolarHBondContact N-O 3.45Å
130Y95.3Very high95.4Very high116 Ų11645.2 Ų45.246%0.45523%0.232SC..Hα-helixtrans-58.6-47.6-178-175.8-90.3000113.8A101 M105 L126 V127A101-Y130 HydrophobicContact CB-CD1 3.78Å; A101-Y130 HydrophobicContact CB-CE1 3.88Å; A101-Y130 HydrophobicContact CB-CG 4.3Å; M105-Y130 HydrophobicContact CE-CD2 4.45Å; M105-Y130 HydrophobicContact CE-CG 4.41Å; M105-Y130 HydrophobicContact CG-CD2 3.81Å; M105-Y130 HydrophobicContact CG-CE2 4.24Å; M105-Y130 HydrophobicContact SD-CD2 3.69Å; M105-Y130 HydrophobicContact SD-CG 4.06Å; L126-Y130 VanDerWaalsContact O-CB 3.25Å; L126-Y130 WeakPolarHBondContact O-CB 3.16Å; L126-Y130 PolarHBondContact O-N 2.84Å; V127-Y130 PolarHBondContact O-N 3.26Å
131F93.6Very high95Very high56 Ų5644.7 Ų44.725%0.24623%0.226CC..Hα-helixtrans-86.4-41-176.6-75.7-72.4000112.5Q88 P93 Q97 A101 V127 D129Q88-F131 PolarHBondContact NE2-O 3.35Å; P93-F131 HydrophobicContact CB-CD1 4.34Å; P93-F131 HydrophobicContact CB-CD2 4.04Å; P93-F131 HydrophobicContact CB-CE1 4.18Å; P93-F131 HydrophobicContact CB-CE2 3.86Å; P93-F131 HydrophobicContact CB-CG 4.28Å; P93-F131 HydrophobicContact CB-CZ 3.94Å; P93-F131 HydrophobicContact CG-CD2 3.93Å; P93-F131 HydrophobicContact CG-CE2 4.15Å; P93-F131 HydrophobicContact CG-CG 4.28Å; Q97-F131 HydrophobicContact CB-CZ 4.14Å; A101-F131 HydrophobicContact CB-CE2 3.57Å; A101-F131 HydrophobicContact CB-CZ 3.81Å; V127-F131 HydrophobicContact CG1-CD2 3.75Å; V127-F131 HydrophobicContact CG1-CE2 4.06Å; V127-F131 WeakPolarHBondContact O-CD2 3.38Å; V127-F131 PolarHBondContact O-N 3.02Å; D129-F131 PolarHBondContact O-N 3.47Å
132C91.8Very high94.4Very high9 Ų953.3 Ų53.36%0.06126%0.258CS..Hα-helixtrans-109.4-3-166-56.40000114.2I78 L128 V134I78-C132 HydrophobicContact CD1-CB 4.07Å; I78-C132 HydrophobicContact CG2-CB 3.95Å; L128-C132 WeakPolarHBondContact O-CA 3.46Å; L128-C132 WeakPolarHBondContact O-CB 3.45Å; L128-C132 PolarHBondContact O-N 2.97Å; C132-V134 HydrophobicContact CB-CB 4.46Å; C132-V134 HydrophobicContact CB-CG2 3.95Å; C132-V134 WeakPolarHBondContact O-CG2 3.33Å; C132-V134 PolarHBondContact O-N 2.84Å
133D92.2Very high93.6Very high132 Ų13249.7 Ų49.771%0.70625%0.252SS*.  trans53.445-172.5-167.142.7000111L128 D129L128-D133 PolarHBondContact O-N 3.44Å; D129-D133 VanDerWaalsContact O-CA 3.29Å; D129-D133 WeakPolarHBondContact O-CA 3.3Å; D129-D133 PolarHBondContact O-N 3.37Å
134V93.8Very high92.6Very high0 Ų048.5 Ų48.50%025%0.246CC..  trans-124.2102.2178.9-174.70000110.3I78 L128 D129 C132 P234 T236I78-V134 HydrophobicContact CD1-CB 4.11Å; I78-V134 HydrophobicContact CD1-CG1 4.32Å; I78-V134 HydrophobicContact CD1-CG2 3.89Å; I78-V134 HydrophobicContact CG1-CG2 4.44Å; I78-V134 HydrophobicContact CG2-CG2 3.88Å; L128-V134 CarbonylContact C-O 3.59Å; L128-V134 PolarHBondContact O-N 2.78Å; D129-V134 PolarHBondContact N-O 3.45Å; C132-V134 HydrophobicContact CB-CB 4.46Å; C132-V134 HydrophobicContact CB-CG2 3.95Å; C132-V134 WeakPolarHBondContact O-CG2 3.33Å; C132-V134 PolarHBondContact O-N 2.84Å; V134-P234 HydrophobicContact CG1-CB 3.79Å; V134-T236 HydrophobicContact CG1-CG2 3.76Å
135P95.7Very high91.4Very high71 Ų7148.5 Ų48.546%0.46125%0.246SC..  trans-67.3151.4173.328.1-33.4000110Q235P135-Q235 HydrophobicContact CG-CB 4.39Å; P135-Q235 VanDerWaalsContact O-CB 3.31Å; P135-Q235 WeakPolarHBondContact O-CB 3.36Å; P135-Q235 PolarHBondContact O-N 2.95Å
136C97Very high90.5Very high26 Ų2650.3 Ų50.318%0.17626%0.262CS..EExtended strand (participates in β ladder)trans-120.5144.7179.1-60.90000111.5C232 L233C136-C232 WeakPolarHBondContact CB-SG 3.21Å; C136-C232 VanDerWaalsContact SG-SG 3.67Å; C136-L233 CarbonylContact C-O 3.58Å; C136-L233 WeakPolarHBondContact CA-O 3.36Å
137K96.6Very high89.7Confident81 Ų8151.2 Ų51.235%0.35227%0.265SS..EExtended strand (participates in β ladder)trans-86.8125.6164.9176.7177.8174.81780108.2V139 E155 L233 Q235K137-V139 HydrophobicContact CD-CG2 4.3Å; K137-V139 HydrophobicContact CG-CG2 4.12Å; K137-E155 WeakPolarHBondContact CE-OE1 3.46Å; K137-E155 IonicContact NZ-OE1 2.91Å; K137-E155 PolarHBondContact NZ-OE1 3.36Å; K137-E155 IonicContact NZ-OE2 2.67Å; K137-E155 PolarHBondContact NZ-OE2 3.29Å; K137-L233 HydrophobicContact CB-CB 4.27Å; K137-L233 PolarHBondContact N-O 2.93Å; K137-L233 WeakPolarHBondContact O-CB 3.43Å; K137-L233 PolarHBondContact O-N 3.34Å; K137-Q235 HydrophobicContact CB-CG 4.42Å
138V94.8Very high88.9Confident64 Ų6451.1 Ų51.139%0.38827%0.265SS..EExtended strand (participates in β ladder)trans-98.9122.1173.2-178.50000109L231V138-L231 CarbonylContact C-O 3.59Å; V138-L231 VanDerWaalsContact CA-O 3.27Å; V138-L231 WeakPolarHBondContact CA-O 3.44Å
139V93.2Very high88.4Confident19 Ų1953.9 Ų53.912%0.11528%0.278CS..EExtended strand (participates in β ladder)trans-109.6125177.9-178.70000108.6K137 V141 E155 N230 L231 L233K137-V139 HydrophobicContact CD-CG2 4.3Å; K137-V139 HydrophobicContact CG-CG2 4.12Å; V139-V141 HydrophobicContact CG1-CG2 4.41Å; V139-E155 HydrophobicContact CG2-CG 4.21Å; V139-N230 CarbonylContact O-C 3.58Å; V139-N230 WeakPolarHBondContact O-CA 3.43Å; V139-L231 HydrophobicContact CB-CB 4.25Å; V139-L231 HydrophobicContact CB-CD1 4.46Å; V139-L231 PolarHBondContact N-O 2.99Å; V139-L231 PolarHBondContact O-N 3.45Å; V139-L233 HydrophobicContact CG2-CD1 4.08Å; V139-L233 HydrophobicContact CG2-CD2 4.42Å
140H91.9Very high87.8Confident84 Ų8458 Ų5839%0.38929%0.294SS..EExtended strand (participates in β ladder)trans-107123.9179.6-179.968.2000110R142 F228 N230H140-R142 VanDerWaalsContact CD2-CG 3.43Å; H140-R142 WeakPolarHBondContact CD2-CG 3.36Å; H140-R142 PolarHBondContact CD2-NE 2.85Å; H140-R142 WeakPolarHBondContact NE2-CG 3.38Å; H140-R142 PolarHBondContact NE2-NE 3Å; H140-F228 AromaticContact CE1-CD2 3.85Å; H140-N230 PolarHBondContact ND1-OD1 2.91Å
141V88.3Confident87Confident1 Ų156.2 Ų56.21%0.00630%0.295CS..EExtended strand (participates in β ladder)trans-115116.1179.5-178.40000108V139 E147 L148 A152 F228 Y229V139-V141 HydrophobicContact CG1-CG2 4.41Å; V141-E147 HydrophobicContact CG1-CB 3.79Å; V141-E147 HydrophobicContact CG1-CG 3.99Å; V141-L148 HydrophobicContact CG1-CB 4.08Å; V141-L148 HydrophobicContact CG2-CD1 4.37Å; V141-A152 HydrophobicContact CG2-CB 3.86Å; V141-F228 CarbonylContact O-C 3.53Å; V141-F228 WeakPolarHBondContact O-CA 3.37Å; V141-F228 WeakPolarHBondContact O-CB 3.42Å; V141-Y229 PolarHBondContact N-O 2.82Å; V141-Y229 PolarHBondContact O-N 3.13Å
142R82.8Confident86.5Confident190 Ų19053.5 Ų53.572%0.71728%0.283SS*.SBendtrans-91.5-32.2-171.2-71.5177.4174.2175.22.2113.8H140 E147H140-R142 VanDerWaalsContact CD2-CG 3.43Å; H140-R142 WeakPolarHBondContact CD2-CG 3.36Å; H140-R142 PolarHBondContact CD2-NE 2.85Å; H140-R142 WeakPolarHBondContact NE2-CG 3.38Å; H140-R142 PolarHBondContact NE2-NE 3Å; R142-E147 WeakPolarHBondContact CA-OE2 3.4Å; R142-E147 PolarHBondContact N-OE2 3.39Å
143G76.8Confident86.5Confident34 Ų3453.5 Ų53.535%0.35128%0.283SS..SBendtrans-97.431-171.700000114.5E147G143-E147 PolarHBondContact N-OE2 3.5Å; G143-E147 PolarHBondContact O-N 2.93Å
144G78.4Confident86.6Confident0 Ų051.7 Ų51.70%027%0.27CS..Hα-helixtrans58.6-147.3177.600000114.2A146 E147 L148 D224 S227G144-A146 VanDerWaalsContact C-N 3.31Å; G144-A146 PolarHBondContact O-N 3.46Å; G144-E147 PolarHBondContact O-N 2.67Å; G144-L148 WeakPolarHBondContact O-CB 3.23Å; G144-L148 PolarHBondContact O-N 2.87Å; G144-D224 WeakPolarHBondContact CA-O 3.48Å; G144-S227 WeakPolarHBondContact CA-O 3.37Å; G144-S227 PolarHBondContact N-O 2.98Å
145G73.2Confident86.6Confident1 Ų153.9 Ų53.91%0.0128%0.281CS..Hα-helixtrans-62.2-30.7-177.900000114.8L148 E149 V220 D224G145-L148 WeakPolarHBondContact O-CB 3.37Å; G145-L148 PolarHBondContact O-N 3.16Å; G145-E149 PolarHBondContact O-N 3.41Å; G145-V220 WeakPolarHBondContact O-CG1 3.16Å; G145-D224 PolarHBondContact N-O 3.42Å
146A78.3Confident86.6Confident52 Ų5250.6 Ų50.643%0.4326%0.259SS..Hα-helixtrans-67.8-44.3-179.800000112.2G144 Q150G144-A146 VanDerWaalsContact C-N 3.31Å; G144-A146 PolarHBondContact O-N 3.46Å; A146-Q150 WeakPolarHBondContact O-CG 3.36Å; A146-Q150 PolarHBondContact O-N 3.47Å
147E80.8Confident86.6Confident62 Ų6249.5 Ų49.529%0.2925%0.251SS..Hα-helixtrans-72.3-33.6173.6-170.2-179-158.700111.2V141 R142 G143 G144 E149 Q150 V151V141-E147 HydrophobicContact CG1-CB 3.79Å; V141-E147 HydrophobicContact CG1-CG 3.99Å; R142-E147 WeakPolarHBondContact CA-OE2 3.4Å; R142-E147 PolarHBondContact N-OE2 3.39Å; G143-E147 PolarHBondContact N-OE2 3.5Å; G143-E147 PolarHBondContact O-N 2.93Å; G144-E147 PolarHBondContact O-N 2.67Å; E147-E149 VanDerWaalsContact C-N 3.3Å; E147-E149 PolarHBondContact O-N 2.93Å; E147-Q150 PolarHBondContact O-N 3.27Å; E147-Q150 VanDerWaalsContact O-N 3.16Å; E147-V151 HydrophobicContact CG-CB 4.21Å; E147-V151 HydrophobicContact CG-CG2 3.59Å; E147-V151 WeakPolarHBondContact O-CB 3.33Å; E147-V151 WeakPolarHBondContact O-CG2 3.4Å; E147-V151 PolarHBondContact O-N 3.49Å
148L82.1Confident86.6Confident0 Ų049.9 Ų49.90%025%0.254CS..Iπ-helixtrans-58.1-44175-167.9115.9000111.5V141 G144 G145 Q150 A152 V153 M169 L192 V220 L223 Y229V141-L148 HydrophobicContact CG1-CB 4.08Å; V141-L148 HydrophobicContact CG2-CD1 4.37Å; G144-L148 WeakPolarHBondContact O-CB 3.23Å; G144-L148 PolarHBondContact O-N 2.87Å; G145-L148 WeakPolarHBondContact O-CB 3.37Å; G145-L148 PolarHBondContact O-N 3.16Å; L148-Q150 VanDerWaalsContact C-N 3.32Å; L148-Q150 PolarHBondContact O-N 3.06Å; L148-A152 HydrophobicContact CD1-CB 4.24Å; L148-A152 HydrophobicContact CG-CB 4.03Å; L148-A152 PolarHBondContact O-N 3.38Å; L148-V153 PolarHBondContact O-N 3.49Å; L148-M169 HydrophobicContact CD1-CE 3.77Å; L148-L192 HydrophobicContact CD2-CD1 4.02Å; L148-V220 HydrophobicContact CB-CG1 4.2Å; L148-V220 HydrophobicContact CD2-CB 4.14Å; L148-V220 HydrophobicContact CD2-CG1 3.47Å; L148-V220 VanDerWaalsContact CD2-CG1 3.47Å; L148-V220 HydrophobicContact CD2-CG2 3.65Å; L148-V220 HydrophobicContact CG-CG1 4.44Å; L148-L223 HydrophobicContact CD2-CD1 3.95Å; L148-Y229 HydrophobicContact CD1-CD2 4.26Å; L148-Y229 HydrophobicContact CD1-CG 4.46Å
149E86Confident86.7Confident59 Ų5947 Ų4728%0.27624%0.236SC..Iπ-helixtrans-59.8-41.6176.3-170.871.9-158.800111.9G145 E147 G189 S190 V220G145-E149 PolarHBondContact O-N 3.41Å; E147-E149 VanDerWaalsContact C-N 3.3Å; E147-E149 PolarHBondContact O-N 2.93Å; E149-G189 VanDerWaalsContact OE1-CA 3.3Å; E149-G189 WeakPolarHBondContact OE1-CA 3.21Å; E149-S190 VanDerWaalsContact OE1-CB 3.24Å; E149-S190 WeakPolarHBondContact OE1-CB 3.5Å; E149-S190 PolarHBondContact OE1-N 3.41Å; E149-S190 PolarHBondContact OE1-OG 3.11Å; E149-S190 WeakPolarHBondContact OE2-CB 3.5Å; E149-S190 PolarHBondContact OE2-N 3.48Å; E149-V220 HydrophobicContact CB-CG1 3.96Å; E149-V220 WeakPolarHBondContact OE2-CB 3.18Å; E149-V220 VanDerWaalsContact OE2-CG1 3.25Å; E149-V220 WeakPolarHBondContact OE2-CG1 3.46Å
150Q81.8Confident86.9Confident161 Ų16146.1 Ų46.175%0.75223%0.231SC*.Iπ-helixtrans-83.5-35.1-173.7-67.6178.49.800113.5A146 E147 L148A146-Q150 WeakPolarHBondContact O-CG 3.36Å; A146-Q150 PolarHBondContact O-N 3.47Å; E147-Q150 PolarHBondContact O-N 3.27Å; E147-Q150 VanDerWaalsContact O-N 3.16Å; L148-Q150 VanDerWaalsContact C-N 3.32Å; L148-Q150 PolarHBondContact O-N 3.06Å
151V77.3Confident87.2Confident78 Ų7846.5 Ų46.547%0.47323%0.233SC..Iπ-helixtrans-111.7-44.5-166.5-175.60000111.7E147E147-V151 HydrophobicContact CG-CB 4.21Å; E147-V151 HydrophobicContact CG-CG2 3.59Å; E147-V151 WeakPolarHBondContact O-CB 3.33Å; E147-V151 WeakPolarHBondContact O-CG2 3.4Å; E147-V151 PolarHBondContact O-N 3.49Å
152A84.4Confident87.5Confident0 Ų053.2 Ų53.20%026%0.262CS..Iπ-helixtrans-90.9-28.8-171.600000113.3V141 L148 E154 E155 L156 L231V141-A152 HydrophobicContact CG2-CB 3.86Å; L148-A152 HydrophobicContact CD1-CB 4.24Å; L148-A152 HydrophobicContact CG-CB 4.03Å; L148-A152 PolarHBondContact O-N 3.38Å; A152-E154 VanDerWaalsContact C-N 3.35Å; A152-E154 PolarHBondContact O-N 2.9Å; A152-E155 WeakPolarHBondContact O-CB 3.46Å; A152-E155 PolarHBondContact O-N 3.19Å; A152-L156 VanDerWaalsContact O-CG 3.23Å; A152-L156 WeakPolarHBondContact O-CG 3.3Å; A152-L156 PolarHBondContact O-N 3.15Å; A152-L231 HydrophobicContact CB-CD1 3.8Å
153V92.1Very high88.2Confident8 Ų845.2 Ų45.25%0.04823%0.233CC..Hα-helixtrans-57.2-45.6179.8164.60000112.4L148 L156 H157 V183 T185 S190 V220L148-V153 PolarHBondContact O-N 3.49Å; V153-L156 WeakPolarHBondContact O-CB 3.47Å; V153-L156 PolarHBondContact O-N 3.32Å; V153-H157 PolarHBondContact O-CD2 3.26Å; V153-H157 VanDerWaalsContact O-CD2 3.23Å; V153-H157 PolarHBondContact O-N 3.08Å; V153-V183 HydrophobicContact CG1-CG2 4.04Å; V153-T185 WeakPolarHBondContact CG1-OG1 3.48Å; V153-S190 WeakPolarHBondContact CG1-OG 3.35Å; V153-V220 HydrophobicContact CG2-CG2 4.33Å
154E92.9Very high89.1Confident94 Ų9443.6 Ų43.644%0.43922%0.216SC..Hα-helixtrans-65.6-40.8178.6-179.854.3-150.500111.5A152 L156 H157 Q158A152-E154 VanDerWaalsContact C-N 3.35Å; A152-E154 PolarHBondContact O-N 2.9Å; E154-L156 VanDerWaalsContact C-N 3.31Å; E154-L156 PolarHBondContact O-N 3.18Å; E154-H157 PolarHBondContact O-N 2.91Å; E154-Q158 WeakPolarHBondContact O-CG 3.3Å; E154-Q158 PolarHBondContact O-N 3.25Å; E154-Q158 PolarHBondContact OE1-NE2 2.99Å
155E94.3Very high90Very high47 Ų4743.6 Ų43.622%0.2222%0.216CC..Hα-helixtrans-61.3-39.4174.3-175.571.2-144.500111.9K137 V139 A152 Q158 H159 L233K137-E155 WeakPolarHBondContact CE-OE1 3.46Å; K137-E155 IonicContact NZ-OE1 2.91Å; K137-E155 PolarHBondContact NZ-OE1 3.36Å; K137-E155 IonicContact NZ-OE2 2.67Å; K137-E155 PolarHBondContact NZ-OE2 3.29Å; V139-E155 HydrophobicContact CG2-CG 4.21Å; A152-E155 WeakPolarHBondContact O-CB 3.46Å; A152-E155 PolarHBondContact O-N 3.19Å; E155-Q158 PolarHBondContact O-N 2.81Å; E155-H159 WeakPolarHBondContact O-CB 3.47Å; E155-H159 PolarHBondContact O-N 2.73Å; E155-L233 HydrophobicContact CG-CD2 3.87Å
156L96.3Very high91.2Very high1 Ų143.6 Ų43.61%0.00522%0.216CC..Hα-helixtrans-63.6-44.9175.5-67.9174.2000111.1A152 V153 E154 H159 F160 I167 V183 L192 L231A152-L156 VanDerWaalsContact O-CG 3.23Å; A152-L156 WeakPolarHBondContact O-CG 3.3Å; A152-L156 PolarHBondContact O-N 3.15Å; V153-L156 WeakPolarHBondContact O-CB 3.47Å; V153-L156 PolarHBondContact O-N 3.32Å; E154-L156 VanDerWaalsContact C-N 3.31Å; E154-L156 PolarHBondContact O-N 3.18Å; L156-H159 PolarHBondContact O-N 2.87Å; L156-F160 HydrophobicContact CB-CE2 4.48Å; L156-F160 WeakPolarHBondContact O-CD2 3.29Å; L156-F160 PolarHBondContact O-N 2.99Å; L156-I167 HydrophobicContact CD2-CD1 3.28Å; L156-V183 HydrophobicContact CB-CB 4.16Å; L156-V183 HydrophobicContact CB-CG1 3.85Å; L156-V183 HydrophobicContact CB-CG2 4.5Å; L156-L192 HydrophobicContact CD1-CD2 3.47Å; L156-L192 VanDerWaalsContact CD1-CD2 3.47Å; L156-L231 HydrophobicContact CD2-CD1 4.34Å
157H97.1Very high92.1Very high3 Ų341.1 Ų41.11%0.01420%0.196CC..Hα-helixtrans-57.6-51.5175.8-82.2-65000110.9K41 C43 V153 E154 H159 F160 E161 V183 T185K41-H157 HydrophobicContact CD-CB 4.21Å; C43-H157 PolarHBondContact SG-ND1 3.48Å; V153-H157 PolarHBondContact O-CD2 3.26Å; V153-H157 VanDerWaalsContact O-CD2 3.23Å; V153-H157 PolarHBondContact O-N 3.08Å; E154-H157 PolarHBondContact O-N 2.91Å; H157-H159 VanDerWaalsContact C-N 3.29Å; H157-H159 PolarHBondContact O-N 3.38Å; H157-F160 PolarHBondContact O-N 2.96Å; H157-E161 WeakPolarHBondContact O-CB 3.49Å; H157-E161 WeakPolarHBondContact O-CG 3.27Å; H157-E161 PolarHBondContact O-N 2.9Å; H157-V183 HydrophobicContact CB-CG1 4.42Å; H157-V183 WeakPolarHBondContact ND1-CG1 3.47Å; H157-T185 PolarHBondContact NE2-OG1 2.85Å
158Q96.2Very high93Very high89 Ų8938.2 Ų38.242%0.41618%0.182SC..Hα-helixtrans-59.5-40.1178.6-69.3175.714.100112.1E154 E155 K162E154-Q158 WeakPolarHBondContact O-CG 3.3Å; E154-Q158 PolarHBondContact O-N 3.25Å; E154-Q158 PolarHBondContact OE1-NE2 2.99Å; E155-Q158 PolarHBondContact O-N 2.81Å; Q158-K162 WeakPolarHBondContact O-CB 3.46Å; Q158-K162 PolarHBondContact O-N 3Å
159H97.6Very high93.6Very high3 Ų338.6 Ų38.61%0.01418%0.184CC..Hα-helixtrans-63.1-49.7176.4178.790.9000112.2E155 L156 H157 E161 K162 H163 G164 S165 I167 L233 P234E155-H159 WeakPolarHBondContact O-CB 3.47Å; E155-H159 PolarHBondContact O-N 2.73Å; L156-H159 PolarHBondContact O-N 2.87Å; H157-H159 VanDerWaalsContact C-N 3.29Å; H157-H159 PolarHBondContact O-N 3.38Å; H159-E161 VanDerWaalsContact C-N 3.31Å; H159-E161 PolarHBondContact O-N 2.81Å; H159-K162 PolarHBondContact O-N 3.32Å; H159-H163 AromaticContact ND1-CD2 3.57Å; H159-H163 WeakPolarHBondContact O-CA 3.33Å; H159-H163 VanDerWaalsContact O-CB 3.29Å; H159-H163 WeakPolarHBondContact O-CB 3.44Å; H159-H163 PolarHBondContact O-N 2.89Å; H159-G164 PolarHBondContact O-N 2.89Å; H159-G164 VanDerWaalsContact O-N 3.09Å; H159-S165 PolarHBondContact CE1-OG 3.49Å; H159-S165 PolarHBondContact NE2-O 3.42Å; H159-S165 PolarHBondContact NE2-OG 2.71Å; H159-I167 HydrophobicContact CB-CD1 4.38Å; H159-I167 VanDerWaalsContact CD2-CD1 3.48Å; H159-I167 WeakPolarHBondContact CD2-CD1 3.41Å; H159-L233 HydrophobicContact CB-CD2 3.93Å; H159-P234 PolarHBondContact CE1-O 2.79Å; H159-P234 VanDerWaalsContact CE1-O 3.26Å
160F97.5Very high93.8Very high1 Ų136.3 Ų36.30%0.00418%0.177CC..Hα-helixtrans-68.6-31.5180-73.5-63000112.6C43 V45 K46 L156 H157 G164 S165 I167 I180 L181 G182 V183C43-F160 HydrophobicContact CB-CB 3.66Å; V45-F160 HydrophobicContact CB-CE1 4.41Å; K46-F160 WeakPolarHBondContact CE-O 3.43Å; L156-F160 HydrophobicContact CB-CE2 4.48Å; L156-F160 WeakPolarHBondContact O-CD2 3.29Å; L156-F160 PolarHBondContact O-N 2.99Å; H157-F160 PolarHBondContact O-N 2.96Å; F160-G164 VanDerWaalsContact O-CA 3.3Å; F160-G164 WeakPolarHBondContact O-CA 3.29Å; F160-G164 PolarHBondContact O-N 3.22Å; F160-S165 WeakPolarHBondContact CE1-O 3.03Å; F160-I167 HydrophobicContact CE2-CD1 4.01Å; F160-I167 HydrophobicContact CZ-CD1 3.89Å; F160-I167 HydrophobicContact CZ-CG1 4.35Å; F160-I180 HydrophobicContact CE2-CG2 4.41Å; F160-I180 HydrophobicContact CZ-CG2 4.33Å; F160-L181 VanDerWaalsContact CZ-C 3.45Å; F160-G182 VanDerWaalsContact CZ-N 3.3Å; F160-V183 HydrophobicContact CD2-CG1 3.96Å; F160-V183 HydrophobicContact CE2-CG1 4.39Å
161E96.5Very high93.8Very high93 Ų9329.2 Ų29.244%0.43515%0.146SC..Hα-helixtrans-64.9-49.3173.1-75175.7148.700111.5K41 K46 H157 H159K41-E161 VanDerWaalsContact CE-CD 3.49Å; K41-E161 WeakPolarHBondContact CE-OE1 3.4Å; K41-E161 IonicContact NZ-OE1 3.35Å; K41-E161 PolarHBondContact NZ-OE1 3.08Å; K41-E161 IonicContact NZ-OE2 2.98Å; K41-E161 PolarHBondContact NZ-OE2 3.38Å; K46-E161 PolarHBondContact NZ-O 3.41Å; H157-E161 WeakPolarHBondContact O-CB 3.49Å; H157-E161 WeakPolarHBondContact O-CG 3.27Å; H157-E161 PolarHBondContact O-N 2.9Å; H159-E161 VanDerWaalsContact C-N 3.31Å; H159-E161 PolarHBondContact O-N 2.81Å
162K95.9Very high93.5Very high142 Ų14229.2 Ų29.262%0.61714%0.144SC*.Hα-helixtrans-82.7-45.7-173.5-176.1178.2177.1-1720114.2Q158 H159 A237Q158-K162 WeakPolarHBondContact O-CB 3.46Å; Q158-K162 PolarHBondContact O-N 3Å; H159-K162 PolarHBondContact O-N 3.32Å; K162-A237 HydrophobicContact CG-CB 4.2Å
163H95.9Very high92.4Very high21 Ų2136.7 Ų36.710%0.09717%0.172CC..THydrogen-bonded Turntrans-106.1-39.1-172-62.1-63.8000112.3H159 S165 Q235 T236 A237H159-H163 AromaticContact ND1-CD2 3.57Å; H159-H163 WeakPolarHBondContact O-CA 3.33Å; H159-H163 VanDerWaalsContact O-CB 3.29Å; H159-H163 WeakPolarHBondContact O-CB 3.44Å; H159-H163 PolarHBondContact O-N 2.89Å; H163-S165 PolarHBondContact O-N 3.37Å; H163-S165 VanDerWaalsContact O-N 3.13Å; H163-Q235 PolarHBondContact NE2-OE1 3.12Å; H163-T236 WeakPolarHBondContact CB-OG1 3.44Å; H163-T236 PolarHBondContact ND1-N 2.77Å; H163-T236 VanDerWaalsContact ND1-N 3.16Å; H163-T236 PolarHBondContact O-OG1 2.9Å; H163-A237 PolarHBondContact ND1-N 3.06Å; H163-A237 VanDerWaalsContact ND1-N 3.11Å
164G96.4Very high91.1Very high0 Ų039.3 Ų39.30%019%0.186CC..  trans63.513.3-178.900000114.4V45 K46 W77 H159 F160V45-G164 CarbonylContact C-O 3.59Å; V45-G164 VanDerWaalsContact CA-O 3.31Å; V45-G164 WeakPolarHBondContact CA-O 3.23Å; V45-G164 WeakPolarHBondContact CG2-O 3.35Å; K46-G164 PolarHBondContact N-O 3.15Å; W77-G164 WeakPolarHBondContact CZ2-O 3.33Å; H159-G164 PolarHBondContact O-N 2.89Å; H159-G164 VanDerWaalsContact O-N 3.09Å; F160-G164 VanDerWaalsContact O-CA 3.3Å; F160-G164 WeakPolarHBondContact O-CA 3.29Å; F160-G164 PolarHBondContact O-N 3.22Å
165S97.3Very high89.6Confident0 Ų040.2 Ų40.20%019%0.193CC..  trans-90.7151.6-176.560.80000112.2W77 H159 F160 H163 P234W77-S165 VanDerWaalsContact CZ3-CB 3.5Å; H159-S165 PolarHBondContact CE1-OG 3.49Å; H159-S165 PolarHBondContact NE2-O 3.42Å; H159-S165 PolarHBondContact NE2-OG 2.71Å; F160-S165 WeakPolarHBondContact CE1-O 3.03Å; H163-S165 PolarHBondContact O-N 3.37Å; H163-S165 VanDerWaalsContact O-N 3.13Å; S165-P234 PolarHBondContact OG-O 2.89Å
166P98.2Very high88.8Confident2 Ų238.6 Ų38.61%0.01319%0.187CC..  trans-57.5148.7170.8-25.235.2000112.6V45 M74 W77 L181 P234V45-P166 HydrophobicContact CG2-CG 3.93Å; M74-P166 WeakPolarHBondContact CE-O 3.33Å; M74-P166 HydrophobicContact CG-CB 4.04Å; W77-P166 HydrophobicContact CB-CG 3.77Å; W77-P166 VanDerWaalsContact CD2-CD 3.48Å; W77-P166 HydrophobicContact CD2-CG 4.47Å; W77-P166 HydrophobicContact CG-CG 3.76Å; P166-L181 HydrophobicContact CB-CD2 3.55Å; P166-L181 HydrophobicContact CG-CD2 3.77Å; P166-P234 VanDerWaalsContact O-CD 3.31Å; P166-P234 WeakPolarHBondContact O-CD 3.26Å
167I98.3Very high88.3Confident0 Ų038.8 Ų38.80%019%0.189CC..EExtended strand (participates in β ladder)trans-117.2139.7178.7-64.2168.9000108.8L156 H159 F160 G179 I180 L231 C232 L233L156-I167 HydrophobicContact CD2-CD1 3.28Å; H159-I167 HydrophobicContact CB-CD1 4.38Å; H159-I167 VanDerWaalsContact CD2-CD1 3.48Å; H159-I167 WeakPolarHBondContact CD2-CD1 3.41Å; F160-I167 HydrophobicContact CE2-CD1 4.01Å; F160-I167 HydrophobicContact CZ-CD1 3.89Å; F160-I167 HydrophobicContact CZ-CG1 4.35Å; I167-G179 CarbonylContact O-C 3.59Å; I167-G179 WeakPolarHBondContact O-CA 3.45Å; I167-I180 HydrophobicContact CB-CB 4.21Å; I167-I180 PolarHBondContact N-O 2.82Å; I167-I180 PolarHBondContact O-N 2.86Å; I167-L231 HydrophobicContact CG2-CB 4.17Å; I167-L231 HydrophobicContact CG2-CD2 4.18Å; I167-C232 WeakPolarHBondContact CG2-O 2.92Å; I167-L233 HydrophobicContact CD1-CD1 4.49Å; I167-L233 HydrophobicContact CD1-CD2 4.38Å; I167-L233 HydrophobicContact CD1-CG 3.87Å; I167-L233 HydrophobicContact CG1-CG 4.04Å; I167-L233 HydrophobicContact CG2-CD1 3.97Å; I167-L233 HydrophobicContact CG2-CG 4.29Å
168M97.9Very high88.1Confident1 Ų140.2 Ų40.21%0.00520%0.195CC..EExtended strand (participates in β ladder)trans-88.7131.8166.2174.6173166.100109.7T70 I71 M74 G120 T121 A124 S177 L231 C232T70-M168 HydrophobicContact CG2-CB 3.69Å; T70-M168 HydrophobicContact CG2-CG 3.72Å; T70-M168 HydrophobicContact CG2-SD 4.26Å; I71-M168 HydrophobicContact CG1-SD 4.48Å; M74-M168 HydrophobicContact CE-CB 4.32Å; M74-M168 HydrophobicContact SD-CB 3.57Å; M74-M168 VanDerWaalsContact SD-CB 3.57Å; G120-M168 WeakPolarHBondContact O-CE 3.29Å; T121-M168 HydrophobicContact CG2-CE 4.23Å; T121-M168 HydrophobicContact CG2-CG 3.96Å; T121-M168 HydrophobicContact CG2-SD 4.43Å; A124-M168 HydrophobicContact CB-SD 3.51Å; A124-M168 VanDerWaalsContact CB-SD 3.51Å; M168-S177 VanDerWaalsContact CE-OG 3.29Å; M168-S177 WeakPolarHBondContact CE-OG 3.4Å; M168-S177 WeakPolarHBondContact CG-OG 3.5Å; M168-L231 CarbonylContact O-C 3.55Å; M168-L231 VanDerWaalsContact O-CA 3.3Å; M168-L231 WeakPolarHBondContact O-CA 3.33Å; M168-C232 HydrophobicContact CB-CB 4.24Å; M168-C232 PolarHBondContact N-O 3.41Å; M168-C232 PolarHBondContact O-N 3.35Å
169M95.1Very high88.1Confident7 Ų736.2 Ų36.23%0.03418%0.178CC..EExtended strand (participates in β ladder)trans-114.8124.5170.3-178.4174.8-17700109.3L148 S177 K178 I180 L192 L223 Y229 N230 L231L148-M169 HydrophobicContact CD1-CE 3.77Å; M169-S177 CarbonylContact O-C 3.54Å; M169-S177 WeakPolarHBondContact O-CA 3.14Å; M169-K178 PolarHBondContact N-O 3.19Å; M169-K178 PolarHBondContact O-N 2.85Å; M169-I180 HydrophobicContact CB-CD1 4.07Å; M169-I180 HydrophobicContact CB-CG1 3.7Å; M169-I180 HydrophobicContact SD-CD1 3.89Å; M169-I180 HydrophobicContact SD-CG1 4.15Å; M169-L192 HydrophobicContact SD-CD1 4.09Å; M169-L223 HydrophobicContact CE-CD1 3.85Å; M169-Y229 HydrophobicContact CE-CD1 3.22Å; M169-Y229 HydrophobicContact CE-CD2 3.93Å; M169-Y229 HydrophobicContact CE-CE1 3.66Å; M169-Y229 HydrophobicContact CE-CE2 4.3Å; M169-Y229 HydrophobicContact CE-CG 3.37Å; M169-Y229 HydrophobicContact CG-CD1 4.41Å; M169-N230 WeakPolarHBondContact CA-O 3.45Å; M169-L231 HydrophobicContact CB-CD2 3.64Å; M169-L231 HydrophobicContact CG-CD2 3.62Å; M169-L231 HydrophobicContact SD-CD2 4.08Å
170G91.1Very high88.2Confident12 Ų1236.1 Ų36.112%0.12418%0.177CC..EExtended strand (participates in β ladder)trans-115.1137.3171.500000110.8Y229 N230G170-Y229 WeakPolarHBondContact O-CA 3.18Å; G170-N230 PolarHBondContact N-O 2.97Å; G170-N230 PolarHBondContact O-N 2.9Å
171G80.7Confident88.2Confident11 Ų1136 Ų3611%0.11318%0.177CC..EExtended strand (participates in β ladder)trans-113.6150.7169.600000111.1D174G171-D174 VanDerWaalsContact C-OD1 3.31Å; G171-D174 WeakPolarHBondContact CA-OD1 3.22Å; G171-D174 PolarHBondContact N-OD1 3.41Å; G171-D174 VanDerWaalsContact O-OD1 3.12Å
172D71.2Confident88.3Confident78 Ų7831.6 Ų31.642%0.41716%0.156SC..SBendtrans-72.9-50.5178.2-171.243.2000111.8N175 F228D172-N175 PolarHBondContact O-N 3.16Å; D172-N175 PolarHBondContact O-OD1 3.45Å; D172-F228 HydrophobicContact CB-CD1 3.74Å; D172-F228 HydrophobicContact CB-CD2 4.26Å; D172-F228 HydrophobicContact CB-CE1 3.28Å; D172-F228 HydrophobicContact CB-CE2 3.84Å; D172-F228 HydrophobicContact CB-CG 4.22Å; D172-F228 HydrophobicContact CB-CZ 3.34Å; D172-F228 VanDerWaalsContact CG-CZ 3.43Å; D172-F228 VanDerWaalsContact OD2-CE1 3.32Å; D172-F228 WeakPolarHBondContact OD2-CE1 3.44Å
173R62.7Low88.3Confident158 Ų15824.9 Ų24.960%0.59613%0.127SC*.THydrogen-bonded Turntrans-81.3-20.7-170.8-56.5-172.384.2-178.66.6113.4S226R173-S226 PolarHBondContact NH1-OG 3.01Å
174D63.4Low88.4Confident63 Ų6323.9 Ų23.934%0.33712%0.122SC..THydrogen-bonded Turntrans-93.7-8.717667.55.7000113.2G171 S176 K178G171-D174 VanDerWaalsContact C-OD1 3.31Å; G171-D174 WeakPolarHBondContact CA-OD1 3.22Å; G171-D174 PolarHBondContact N-OD1 3.41Å; G171-D174 VanDerWaalsContact O-OD1 3.12Å; D174-S176 WeakPolarHBondContact O-CB 3.25Å; D174-S176 PolarHBondContact O-N 3.38Å; D174-S176 PolarHBondContact OD1-N 3.04Å; D174-K178 IonicContact OD1-NZ 3.58Å; D174-K178 IonicContact OD2-NZ 3.84Å; D174-K178 PolarHBondContact OD2-NZ 3.37Å
175N61.6Low88.4Confident112 Ų11225.4 Ų25.460%0.59913%0.132SC*.  trans42.635.7-176.4-73.5-48.4000112.6D172D172-N175 PolarHBondContact O-N 3.16Å; D172-N175 PolarHBondContact O-OD1 3.45Å
176S77.8Confident88.1Confident13 Ų1326 Ų269%0.09114%0.137CC..  trans-133.3110.3-162.8170.60000110.2D174 K178 H198D174-S176 WeakPolarHBondContact O-CB 3.25Å; D174-S176 PolarHBondContact O-N 3.38Å; D174-S176 PolarHBondContact OD1-N 3.04Å; S176-K178 VanDerWaalsContact CB-NZ 3.33Å; S176-K178 PolarHBondContact O-NZ 2.84Å; S176-K178 VanDerWaalsContact O-NZ 3.08Å; S176-K178 PolarHBondContact OG-NZ 2.95Å; S176-H198 PolarHBondContact OG-CE1 3.03Å
177S86.3Confident87.6Confident5 Ų533.8 Ų33.84%0.03518%0.179CC..EExtended strand (participates in β ladder)trans-71.8139.3166.8-178.10000110.9T70 M168 M169 P197 H198T70-S177 VanDerWaalsContact CB-OG 3.22Å; T70-S177 WeakPolarHBondContact CB-OG 3.31Å; T70-S177 PolarHBondContact OG1-OG 3.2Å; M168-S177 VanDerWaalsContact CE-OG 3.29Å; M168-S177 WeakPolarHBondContact CE-OG 3.4Å; M168-S177 WeakPolarHBondContact CG-OG 3.5Å; M169-S177 CarbonylContact O-C 3.54Å; M169-S177 WeakPolarHBondContact O-CA 3.14Å; S177-P197 WeakPolarHBondContact O-CD 3.38Å; S177-P197 WeakPolarHBondContact O-CG 3.43Å; S177-H198 PolarHBondContact O-CE1 2.93Å
178K92.6Very high87Confident34 Ų3441.7 Ų41.715%0.14821%0.213CC..EExtended strand (participates in β ladder)trans-137.4145.8176-56.5175.1-166.158.40110.4M169 D174 S176 V194M169-K178 PolarHBondContact N-O 3.19Å; M169-K178 PolarHBondContact O-N 2.85Å; D174-K178 IonicContact OD1-NZ 3.58Å; D174-K178 IonicContact OD2-NZ 3.84Å; D174-K178 PolarHBondContact OD2-NZ 3.37Å; S176-K178 VanDerWaalsContact CB-NZ 3.33Å; S176-K178 PolarHBondContact O-NZ 2.84Å; S176-K178 VanDerWaalsContact O-NZ 3.08Å; S176-K178 PolarHBondContact OG-NZ 2.95Å; K178-V194 HydrophobicContact CB-CG1 4.01Å; K178-V194 HydrophobicContact CD-CG1 3.86Å; K178-V194 HydrophobicContact CG-CG1 4.27Å
179G97.1Very high86.6Confident5 Ų542.4 Ų42.45%0.05222%0.221CC..EExtended strand (participates in β ladder)trans-83.1128.3168.300000110.5I167 V194 V195I167-G179 CarbonylContact O-C 3.59Å; I167-G179 WeakPolarHBondContact O-CA 3.45Å; G179-V194 CarbonylContact O-C 3.49Å; G179-V194 WeakPolarHBondContact O-CA 3.2Å; G179-V195 PolarHBondContact N-O 3.01Å; G179-V195 PolarHBondContact O-N 3.45Å
180I98.1Very high86.7Confident0 Ų042.1 Ų42.10%022%0.22CC..EExtended strand (participates in β ladder)trans-102.5122.1169.8-50.6-56.5000107.9F160 I167 M169 L192 L193 V194F160-I180 HydrophobicContact CE2-CG2 4.41Å; F160-I180 HydrophobicContact CZ-CG2 4.33Å; I167-I180 HydrophobicContact CB-CB 4.21Å; I167-I180 PolarHBondContact N-O 2.82Å; I167-I180 PolarHBondContact O-N 2.86Å; M169-I180 HydrophobicContact CB-CD1 4.07Å; M169-I180 HydrophobicContact CB-CG1 3.7Å; M169-I180 HydrophobicContact SD-CD1 3.89Å; M169-I180 HydrophobicContact SD-CG1 4.15Å; I180-L192 HydrophobicContact CD1-CB 4.38Å; I180-L192 HydrophobicContact CD1-CD1 4.13Å; I180-L192 HydrophobicContact CG2-CB 4.38Å; I180-L192 HydrophobicContact CG2-CD2 4.47Å; I180-L193 WeakPolarHBondContact CA-O 2.95Å; I180-V194 HydrophobicContact CD1-CG2 3.87Å
181L98.3Very high86.9Confident0 Ų043.7 Ų43.70%022%0.222CC..EExtended strand (participates in β ladder)trans-1163.1-175.4-60.5-171000113.7H29 L44 V45 Y49 F160 P166 L193 V195H29-L181 HydrophobicContact CB-CD1 4.43Å; L44-L181 CarbonylContact C-O 3.55Å; L44-L181 WeakPolarHBondContact CA-O 3.47Å; V45-L181 HydrophobicContact CB-CB 4.36Å; V45-L181 HydrophobicContact CB-CD2 4.5Å; V45-L181 HydrophobicContact CG1-CB 4.11Å; V45-L181 PolarHBondContact N-O 2.68Å; Y49-L181 HydrophobicContact CD1-CD1 4.39Å; Y49-L181 HydrophobicContact CE1-CD1 3.5Å; Y49-L181 VanDerWaalsContact CE1-CD1 3.5Å; Y49-L181 HydrophobicContact CE2-CD1 3.75Å; Y49-L181 WeakPolarHBondContact OH-CD1 3.32Å; F160-L181 VanDerWaalsContact CZ-C 3.45Å; P166-L181 HydrophobicContact CB-CD2 3.55Å; P166-L181 HydrophobicContact CG-CD2 3.77Å; L181-L193 HydrophobicContact CB-CD2 3.87Å; L181-L193 HydrophobicContact CB-CG 4.08Å; L181-L193 PolarHBondContact N-O 3.35Å; L181-V195 HydrophobicContact CD1-CB 4.29Å; L181-V195 HydrophobicContact CD1-CG2 3.3Å; L181-V195 HydrophobicContact CG-CG2 3.88Å
182G97.8Very high87.7Confident0 Ų043.2 Ų43.20%022%0.217CC..EExtended strand (participates in β ladder)trans175.816417900000112.5C43 F160 L193C43-G182 CarbonylContact O-C 3.54Å; C43-G182 WeakPolarHBondContact O-CA 3.49Å; F160-G182 VanDerWaalsContact CZ-N 3.3Å; G182-L193 PolarHBondContact O-N 3.09Å
183V97.6Very high88.9Confident0 Ų039.6 Ų39.60%020%0.198CC..EExtended strand (participates in β ladder)trans-138.3136.6177.156.90000108.9C42 C43 V153 L156 H157 F160 Y191 L192C42-V183 WeakPolarHBondContact CA-O 3.41Å; C43-V183 HydrophobicContact CB-CG1 4.35Å; C43-V183 PolarHBondContact N-O 3.41Å; C43-V183 PolarHBondContact O-N 2.96Å; V153-V183 HydrophobicContact CG1-CG2 4.04Å; L156-V183 HydrophobicContact CB-CB 4.16Å; L156-V183 HydrophobicContact CB-CG1 3.85Å; L156-V183 HydrophobicContact CB-CG2 4.5Å; H157-V183 HydrophobicContact CB-CG1 4.42Å; H157-V183 WeakPolarHBondContact ND1-CG1 3.47Å; F160-V183 HydrophobicContact CD2-CG1 3.96Å; F160-V183 HydrophobicContact CE2-CG1 4.39Å; V183-Y191 CarbonylContact C-O 3.59Å; V183-Y191 WeakPolarHBondContact CA-O 3.39Å; V183-L192 HydrophobicContact CB-CD2 4.21Å; V183-L192 HydrophobicContact CG2-CD2 4.04Å
184C96.9Very high90.6Very high0 Ų032.6 Ų32.60%017%0.173CC..EExtended strand (participates in β ladder)trans-132126.9178.6-169.80000108.7P35 A39 K41 C42 S190 Y191 W217P35-C184 HydrophobicContact CG-CB 3.71Å; A39-C184 WeakPolarHBondContact CB-SG 3.44Å; K41-C184 CarbonylContact O-C 3.51Å; K41-C184 WeakPolarHBondContact O-CA 3.23Å; C42-C184 HydrophobicContact CB-CB 4.39Å; C184-S190 CarbonylContact O-C 3.58Å; C184-S190 VanDerWaalsContact O-CA 3.29Å; C184-S190 WeakPolarHBondContact O-CA 3.36Å; C184-Y191 PolarHBondContact N-O 2.92Å; C184-Y191 PolarHBondContact O-N 3.18Å; C184-W217 HydrophobicContact CB-CE3 4.34Å; C184-W217 HydrophobicContact CB-CH2 3.73Å; C184-W217 HydrophobicContact CB-CZ2 4.49Å; C184-W217 HydrophobicContact CB-CZ3 3.65Å
185T95.7Very high92.2Very high33 Ų3329.8 Ų29.820%0.20216%0.158CC..EExtended strand (participates in β ladder)trans-122.8133.7-177.8-59.10000109.4A40 K41 V153 H157 S190A40-T185 PolarHBondContact N-O 2.88Å; K41-T185 PolarHBondContact N-O 3.4Å; K41-T185 VanDerWaalsContact N-O 3.13Å; K41-T185 PolarHBondContact O-N 2.83Å; V153-T185 WeakPolarHBondContact CG1-OG1 3.48Å; H157-T185 PolarHBondContact NE2-OG1 2.85Å; T185-S190 WeakPolarHBondContact CG2-OG 3.31Å; T185-S190 PolarHBondContact OG1-OG 3.23Å
186G92.4Very high93.9Very high11 Ų1126.1 Ų26.111%0.11314%0.138CC..EExtended strand (participates in β ladder)trans-144-169.7168.500000110.8K188 G189G186-K188 PolarHBondContact O-N 3.03Å; G186-G189 PolarHBondContact N-O 2.71Å; G186-G189 PolarHBondContact O-N 3.26Å
187D87.2Confident94.9Very high166 Ų16625.6 Ų25.689%0.88814%0.135SC*.THydrogen-bonded Turntrans-58.4-26.9-169.2-60.7-10.1000114.6
188K85.1Confident95.4Very high166 Ų16627.4 Ų27.472%0.72214%0.142SC*.THydrogen-bonded Turntrans-97.111.6-178-61.5-177.7-177.2174.60112.9G186 R219G186-K188 PolarHBondContact O-N 3.03Å; K188-R219 PolarHBondContact O-NH2 3.27Å
189G91.3Very high95.6Very high17 Ų1726.3 Ų26.318%0.17514%0.137CC..EExtended strand (participates in β ladder)trans103.7-170.4179.700000113.5E149 G186E149-G189 VanDerWaalsContact OE1-CA 3.3Å; E149-G189 WeakPolarHBondContact OE1-CA 3.21Å; G186-G189 PolarHBondContact N-O 2.71Å; G186-G189 PolarHBondContact O-N 3.26Å
190S95.3Very high95.5Very high1 Ų131.4 Ų31.41%0.00716%0.156CC..EExtended strand (participates in β ladder)trans-107.6157.3-165.2-52.10000114.1E149 V153 C184 T185 V220E149-S190 VanDerWaalsContact OE1-CB 3.24Å; E149-S190 WeakPolarHBondContact OE1-CB 3.5Å; E149-S190 PolarHBondContact OE1-N 3.41Å; E149-S190 PolarHBondContact OE1-OG 3.11Å; E149-S190 WeakPolarHBondContact OE2-CB 3.5Å; E149-S190 PolarHBondContact OE2-N 3.48Å; V153-S190 WeakPolarHBondContact CG1-OG 3.35Å; C184-S190 CarbonylContact O-C 3.58Å; C184-S190 VanDerWaalsContact O-CA 3.29Å; C184-S190 WeakPolarHBondContact O-CA 3.36Å; T185-S190 WeakPolarHBondContact CG2-OG 3.31Å; T185-S190 PolarHBondContact OG1-OG 3.23Å; S190-V220 PolarHBondContact O-N 3.4Å
191Y96.3Very high95.2Very high44 Ų4433.4 Ų33.417%0.17318%0.176CC..EExtended strand (participates in β ladder)trans-130.8138.3-178.6-65.1-106.3000109.1P35 L36 V183 C184 W217 K218 R219P35-Y191 HydrophobicContact CB-CD1 3.78Å; P35-Y191 HydrophobicContact CB-CD2 4.44Å; P35-Y191 HydrophobicContact CB-CE1 4.28Å; P35-Y191 HydrophobicContact CB-CG 3.86Å; P35-Y191 HydrophobicContact CG-CD1 4.5Å; P35-Y191 HydrophobicContact CG-CG 4.1Å; L36-Y191 HydrophobicContact CD1-CD2 3.93Å; L36-Y191 HydrophobicContact CD1-CE2 4.02Å; L36-Y191 HydrophobicContact CD2-CD2 4.27Å; L36-Y191 HydrophobicContact CD2-CE2 3.63Å; L36-Y191 HydrophobicContact CG-CD2 4.04Å; L36-Y191 HydrophobicContact CG-CE2 3.92Å; V183-Y191 CarbonylContact C-O 3.59Å; V183-Y191 WeakPolarHBondContact CA-O 3.39Å; C184-Y191 PolarHBondContact N-O 2.92Å; C184-Y191 PolarHBondContact O-N 3.18Å; Y191-W217 WeakPolarHBondContact O-CZ3 3.31Å; Y191-K218 CarbonylContact C-O 3.51Å; Y191-K218 VanDerWaalsContact CA-O 3.29Å; Y191-K218 WeakPolarHBondContact CA-O 3.39Å; Y191-R219 HydrophobicContact CD1-CB 3.94Å; Y191-R219 HydrophobicContact CD1-CG 4.29Å; Y191-R219 HydrophobicContact CE1-CB 3.73Å; Y191-R219 HydrophobicContact CE1-CG 3.9Å; Y191-R219 HydrophobicContact CE2-CG 4.21Å
192L96.8Very high94.8Very high2 Ų242.9 Ų42.91%0.0121%0.212CC..EExtended strand (participates in β ladder)trans-106.3134.2173.3-57.8-172.7000110L148 L156 M169 I180 V183 V194 W217 K218 V220 L223L148-L192 HydrophobicContact CD2-CD1 4.02Å; L156-L192 HydrophobicContact CD1-CD2 3.47Å; L156-L192 VanDerWaalsContact CD1-CD2 3.47Å; M169-L192 HydrophobicContact SD-CD1 4.09Å; I180-L192 HydrophobicContact CD1-CB 4.38Å; I180-L192 HydrophobicContact CD1-CD1 4.13Å; I180-L192 HydrophobicContact CG2-CB 4.38Å; I180-L192 HydrophobicContact CG2-CD2 4.47Å; V183-L192 HydrophobicContact CB-CD2 4.21Å; V183-L192 HydrophobicContact CG2-CD2 4.04Å; L192-V194 HydrophobicContact CB-CG2 4.23Å; L192-V194 PolarHBondContact O-N 3.24Å; L192-W217 CarbonylContact O-C 3.56Å; L192-W217 WeakPolarHBondContact O-CA 3.19Å; L192-K218 PolarHBondContact N-O 3.47Å; L192-K218 PolarHBondContact O-N 3.26Å; L192-V220 HydrophobicContact CD2-CG2 4.27Å; L192-V220 HydrophobicContact CG-CG2 3.96Å; L192-L223 HydrophobicContact CD1-CD1 4.37Å
193L97.9Very high94.3Very high2 Ų247.7 Ų47.71%0.0124%0.235CC..EExtended strand (participates in β ladder)trans-82.5104.3171176.259.8000108.5H29 L32 L44 I180 L181 G182 V215 W217H29-L193 HydrophobicContact CB-CD1 4.22Å; H29-L193 HydrophobicContact CB-CD2 3.7Å; H29-L193 HydrophobicContact CB-CG 4.31Å; L32-L193 HydrophobicContact CD2-CD1 3.59Å; L44-L193 HydrophobicContact CD2-CD2 4.01Å; I180-L193 WeakPolarHBondContact CA-O 2.95Å; L181-L193 HydrophobicContact CB-CD2 3.87Å; L181-L193 HydrophobicContact CB-CG 4.08Å; L181-L193 PolarHBondContact N-O 3.35Å; G182-L193 PolarHBondContact O-N 3.09Å; L193-V215 HydrophobicContact CD1-CG1 4.48Å; L193-W217 HydrophobicContact CB-CD2 3.97Å; L193-W217 HydrophobicContact CB-CE3 3.75Å; L193-W217 HydrophobicContact CB-CH2 3.78Å; L193-W217 HydrophobicContact CB-CZ2 3.98Å; L193-W217 HydrophobicContact CB-CZ3 3.65Å; L193-W217 HydrophobicContact CD1-CD2 4.25Å; L193-W217 HydrophobicContact CD1-CG 4.47Å; L193-W217 HydrophobicContact CD2-CZ2 4.3Å; L193-W217 VanDerWaalsContact N-CE3 3.28Å
194V97.6Very high94Very high11 Ų1148.4 Ų48.47%0.06724%0.238CC..EExtended strand (participates in β ladder)trans-98.4133.4-174.8177.70000110.2K178 G179 I180 L192 V215 A216 K218K178-V194 HydrophobicContact CB-CG1 4.01Å; K178-V194 HydrophobicContact CD-CG1 3.86Å; K178-V194 HydrophobicContact CG-CG1 4.27Å; G179-V194 CarbonylContact O-C 3.49Å; G179-V194 WeakPolarHBondContact O-CA 3.2Å; I180-V194 HydrophobicContact CD1-CG2 3.87Å; L192-V194 HydrophobicContact CB-CG2 4.23Å; L192-V194 PolarHBondContact O-N 3.24Å; V194-V215 WeakPolarHBondContact O-CA 3.33Å; V194-A216 PolarHBondContact N-O 3.28Å; V194-A216 PolarHBondContact O-N 3.21Å; V194-K218 HydrophobicContact CB-CG 4.1Å; V194-K218 HydrophobicContact CG2-CB 4.04Å; V194-K218 HydrophobicContact CG2-CG 3.71Å
195V97.8Very high93.9Very high4 Ų454.8 Ų54.82%0.02427%0.268CS..EExtended strand (participates in β ladder)trans-114.2114.8165.2174.70000108.4V28 Y51 G179 L181 V215V28-V195 HydrophobicContact CG2-CG1 4.25Å; V28-V195 HydrophobicContact CG2-CG2 4.18Å; Y51-V195 HydrophobicContact CD2-CG1 3.3Å; Y51-V195 HydrophobicContact CE2-CG1 3.35Å; Y51-V195 HydrophobicContact CG-CG1 4.42Å; G179-V195 PolarHBondContact N-O 3.01Å; G179-V195 PolarHBondContact O-N 3.45Å; L181-V195 HydrophobicContact CD1-CB 4.29Å; L181-V195 HydrophobicContact CD1-CG2 3.3Å; L181-V195 HydrophobicContact CG-CG2 3.88Å; V195-V215 HydrophobicContact CG1-CG2 4.49Å; V195-V215 HydrophobicContact CG2-CG1 3.99Å; V195-V215 HydrophobicContact CG2-CG2 4.2Å
196D97.2Very high93.8Very high34 Ų3456.4 Ų56.418%0.18227%0.272CS..  trans-92.6117.4-174.1-173.2-26.2000110.4Y51 H198 W214Y51-D196 WeakPolarHBondContact CE2-O 2.98Å; Y51-D196 PolarHBondContact OH-O 2.97Å; D196-H198 PolarHBondContact O-N 2.71Å; D196-H198 VanDerWaalsContact OD1-CB 3.26Å; D196-H198 WeakPolarHBondContact OD1-CB 3.25Å; D196-H198 IonicContact OD1-CE1 2.69Å; D196-H198 IonicContact OD1-CG 2.69Å; D196-H198 VanDerWaalsContact OD1-CG 3.31Å; D196-H198 PolarHBondContact OD1-N 2.78Å; D196-H198 IonicContact OD1-ND1 3.42Å; D196-H198 PolarHBondContact OD1-ND1 2.69Å; D196-W214 HydrophobicContact CB-CE3 4.01Å; D196-W214 WeakPolarHBondContact CB-O 3.13Å; D196-W214 PolarHBondContact N-O 2.74Å
197P97.1Very high94Very high3 Ų360.5 Ų60.52%0.01930%0.296CS..THydrogen-bonded Turntrans-77.7-1.9-17934-38.1000114H53 Y54 C66 R69 S177 Y199H53-P197 CarbonylContact C-O 3.51Å; H53-P197 WeakPolarHBondContact CA-O 3.28Å; H53-P197 WeakPolarHBondContact CB-O 3.46Å; Y54-P197 PolarHBondContact N-O 2.69Å; C66-P197 HydrophobicContact CB-CG 3.86Å; R69-P197 HydrophobicContact CB-CB 3.74Å; S177-P197 WeakPolarHBondContact O-CD 3.38Å; S177-P197 WeakPolarHBondContact O-CG 3.43Å; P197-Y199 PolarHBondContact O-N 2.84Å
198H97.1Very high94.5Very high42 Ų4255.2 Ų55.219%0.19427%0.266CS..THydrogen-bonded Turntrans-80.60.2-173.2-58.573.8000113.5Y54 C66 S176 S177 D196 Y200 W214Y54-H198 VanDerWaalsContact CD2-CA 3.46Å; Y54-H198 HydrophobicContact CD2-CB 4.08Å; Y54-H198 VanDerWaalsContact CD2-O 3.29Å; Y54-H198 WeakPolarHBondContact CD2-O 3.34Å; Y54-H198 HydrophobicContact CE2-CB 3.68Å; Y54-H198 AromaticContact CE2-CD2 3.47Å; Y54-H198 VanDerWaalsContact CE2-CD2 3.47Å; Y54-H198 WeakPolarHBondContact CE2-CD2 3.4Å; Y54-H198 AromaticContact CE2-CG 3.8Å; Y54-H198 AromaticContact CZ-CD2 3.49Å; Y54-H198 VanDerWaalsContact CZ-CD2 3.49Å; Y54-H198 PolarHBondContact OH-CD2 2.96Å; Y54-H198 PolarHBondContact OH-NE2 3.39Å; C66-H198 VanDerWaalsContact CB-CE1 3.42Å; C66-H198 WeakPolarHBondContact CB-CE1 3.44Å; C66-H198 VanDerWaalsContact CB-NE2 3.32Å; C66-H198 WeakPolarHBondContact CB-NE2 3.44Å; S176-H198 PolarHBondContact OG-CE1 3.03Å; S177-H198 PolarHBondContact O-CE1 2.93Å; D196-H198 PolarHBondContact O-N 2.71Å; D196-H198 VanDerWaalsContact OD1-CB 3.26Å; D196-H198 WeakPolarHBondContact OD1-CB 3.25Å; D196-H198 IonicContact OD1-CE1 2.69Å; D196-H198 IonicContact OD1-CG 2.69Å; D196-H198 VanDerWaalsContact OD1-CG 3.31Å; D196-H198 PolarHBondContact OD1-N 2.78Å; D196-H198 IonicContact OD1-ND1 3.42Å; D196-H198 PolarHBondContact OD1-ND1 2.69Å; H198-Y200 PolarHBondContact O-N 2.77Å; H198-W214 HydrophobicContact CB-CZ3 4Å
199Y96.7Very high95Very high12 Ų1247.5 Ų47.55%0.04723%0.232CC..  trans-59.3126.2174.3179.3-110.5000110.5Y51 H53 Y54 P197 R202 L204 L209 W214Y51-Y199 VanDerWaalsContact OH-CB 3.25Å; Y51-Y199 WeakPolarHBondContact OH-CB 3.49Å; H53-Y199 WeakPolarHBondContact CB-O 3.38Å; H53-Y199 AromaticContact CE1-CD1 3.73Å; H53-Y199 AromaticContact CG-CD1 3.99Å; H53-Y199 AromaticContact ND1-CD1 3.7Å; H53-Y199 PolarHBondContact ND1-O 3.33Å; Y54-Y199 PolarHBondContact N-O 2.89Å; P197-Y199 PolarHBondContact O-N 2.84Å; Y199-R202 WeakPolarHBondContact CE1-O 3.43Å; Y199-R202 PolarHBondContact OH-N 2.77Å; Y199-R202 PolarHBondContact OH-O 2.95Å; Y199-L204 HydrophobicContact CD2-CD1 4.32Å; Y199-L204 HydrophobicContact CE1-CD1 4.18Å; Y199-L204 HydrophobicContact CE1-CG 4.22Å; Y199-L204 HydrophobicContact CE2-CD1 3.48Å; Y199-L204 VanDerWaalsContact CE2-CD1 3.48Å; Y199-L204 HydrophobicContact CE2-CG 4.26Å; Y199-L204 VanDerWaalsContact CZ-CD1 3.41Å; Y199-L204 WeakPolarHBondContact OH-CD1 3.36Å; Y199-L204 VanDerWaalsContact OH-CG 3.23Å; Y199-L204 WeakPolarHBondContact OH-CG 3.2Å; Y199-L209 HydrophobicContact CD1-CD2 4.21Å; Y199-L209 HydrophobicContact CD2-CD2 4.43Å; Y199-L209 HydrophobicContact CG-CD2 4.14Å; Y199-W214 HydrophobicContact CD2-CD2 4.13Å; Y199-W214 AromaticContact CD2-CE2 3.59Å; Y199-W214 HydrophobicContact CD2-CG 4.42Å; Y199-W214 AromaticContact CD2-CZ2 3.89Å; Y199-W214 HydrophobicContact CD2-CZ2 3.89Å; Y199-W214 AromaticContact CD2-NE1 3.53Å; Y199-W214 HydrophobicContact CG-CD2 4.45Å
200Y95.6Very high95.3Very high111 Ų11148 Ų4844%0.43523%0.23SC..  trans-133.1124.9172.6-176-93.4000109.2R62 H198R62-Y200 HydrophobicContact CG-CD2 3.69Å; R62-Y200 HydrophobicContact CG-CE2 4.14Å; R62-Y200 HydrophobicContact CG-CG 3.95Å; H198-Y200 PolarHBondContact O-N 2.77Å
201G92.3Very high95.4Very high42 Ų4256.3 Ų56.343%0.43327%0.266SS..SBendtrans158-164.4179.700000112.2
202R89.9Confident95.4Very high199 Ų19960.4 Ų60.475%0.75128%0.281SS*.SBendtrans-65.1161.1175.466-179.1-175.8-1741.7111.7Y199 L204Y199-R202 WeakPolarHBondContact CE1-O 3.43Å; Y199-R202 PolarHBondContact OH-N 2.77Å; Y199-R202 PolarHBondContact OH-O 2.95Å; R202-L204 HydrophobicContact CG-CD2 4.38Å; R202-L204 PolarHBondContact O-N 3Å
203Q87.3Confident95.4Very high102 Ų10261.6 Ų61.648%0.47729%0.293SS..  trans-50.6130.4168.9-165.383.91800110.4T23T23-Q203 PolarHBondContact O-NE2 2.87Å
204L91.4Very high95.3Very high14 Ų1464.5 Ų64.57%0.07330%0.304CS..  trans-114.9157.4172.2-64.8-179000110.1L25 Y199 R202 E208 L209L25-L204 WeakPolarHBondContact CD1-O 3.49Å; Y199-L204 HydrophobicContact CD2-CD1 4.32Å; Y199-L204 HydrophobicContact CE1-CD1 4.18Å; Y199-L204 HydrophobicContact CE1-CG 4.22Å; Y199-L204 HydrophobicContact CE2-CD1 3.48Å; Y199-L204 VanDerWaalsContact CE2-CD1 3.48Å; Y199-L204 HydrophobicContact CE2-CG 4.26Å; Y199-L204 VanDerWaalsContact CZ-CD1 3.41Å; Y199-L204 WeakPolarHBondContact OH-CD1 3.36Å; Y199-L204 VanDerWaalsContact OH-CG 3.23Å; Y199-L204 WeakPolarHBondContact OH-CG 3.2Å; R202-L204 HydrophobicContact CG-CD2 4.38Å; R202-L204 PolarHBondContact O-N 3Å; L204-E208 HydrophobicContact CB-CB 4.41Å; L204-E208 HydrophobicContact CD1-CG 4.13Å; L204-E208 HydrophobicContact CD2-CG 4.16Å; L204-L209 HydrophobicContact CB-CD2 4.3Å; L204-L209 HydrophobicContact CB-CG 4.18Å; L204-L209 HydrophobicContact CD1-CD2 3.99Å
205E93.6Very high95.3Very high135 Ų13564 Ų6463%0.63130%0.301SS*.  trans-73154.9164.8-67.4-57.8138.300110.8T207 E208 L209E205-T207 VanDerWaalsContact C-N 3.27Å; E205-T207 PolarHBondContact O-N 2.82Å; E205-E208 PolarHBondContact O-N 2.84Å; E205-E208 VanDerWaalsContact O-N 3.08Å; E205-L209 PolarHBondContact O-N 3.48Å; E205-L209 VanDerWaalsContact O-N 3.15Å
206K94.8Very high95.3Very high66 Ų6664.5 Ų64.529%0.28731%0.306SS..Hα-helixtrans-54.7-43.6179.4-60.5-175.8-173.5-171.20112.3L25 K26 N27 V28 E208 L209 Q210L25-K206 HydrophobicContact CD1-CG 4.14Å; K26-K206 WeakPolarHBondContact O-CE 3.29Å; K26-K206 PolarHBondContact O-NZ 3.38Å; N27-K206 PolarHBondContact O-NZ 2.73Å; V28-K206 HydrophobicContact CG1-CG 4.45Å; K206-E208 VanDerWaalsContact C-N 3.25Å; K206-E208 PolarHBondContact O-N 3.05Å; K206-L209 WeakPolarHBondContact O-CB 3.3Å; K206-L209 PolarHBondContact O-N 3.47Å; K206-Q210 VanDerWaalsContact O-CG 3.23Å; K206-Q210 WeakPolarHBondContact O-CG 3.24Å; K206-Q210 PolarHBondContact O-N 3.23Å
207T96Very high95.3Very high98 Ų9864.6 Ų64.660%0.60130%0.304SS*.Hα-helixtrans-61.7-34.5-179.151.20000112.2E205 K211E205-T207 VanDerWaalsContact C-N 3.27Å; E205-T207 PolarHBondContact O-N 2.82Å; T207-K211 VanDerWaalsContact O-CB 3.29Å; T207-K211 WeakPolarHBondContact O-CB 3.33Å; T207-K211 PolarHBondContact O-N 3.24Å
208E96.8Very high95.2Very high55 Ų5568.6 Ų68.626%0.25732%0.321SS..Hα-helixtrans-76-36177.9-171.963.8-171.300111.7L204 E205 K206 Q210 K211 R212L204-E208 HydrophobicContact CB-CB 4.41Å; L204-E208 HydrophobicContact CD1-CG 4.13Å; L204-E208 HydrophobicContact CD2-CG 4.16Å; E205-E208 PolarHBondContact O-N 2.84Å; E205-E208 VanDerWaalsContact O-N 3.08Å; K206-E208 VanDerWaalsContact C-N 3.25Å; K206-E208 PolarHBondContact O-N 3.05Å; E208-Q210 VanDerWaalsContact C-N 3.31Å; E208-Q210 PolarHBondContact O-N 3.32Å; E208-K211 PolarHBondContact O-N 3.29Å; E208-R212 WeakPolarHBondContact O-CB 3.39Å; E208-R212 VanDerWaalsContact O-CG 3.3Å; E208-R212 WeakPolarHBondContact O-CG 3.49Å; E208-R212 PolarHBondContact O-N 2.95Å; E208-R212 IonicContact OE1-CZ 2.68Å; E208-R212 IonicContact OE1-NE 2.69Å; E208-R212 PolarHBondContact OE1-NE 2.98Å; E208-R212 IonicContact OE1-NH2 3.49Å; E208-R212 PolarHBondContact OE1-NH2 3.26Å
209L96.8Very high95Very high3 Ų371.4 Ų71.42%0.01633%0.33CS..Hα-helixtrans-59.7-44.4170.6-70.8172.6000111.4L25 V28 Y51 Y199 L204 E205 K206 G213 W214 V215L25-L209 HydrophobicContact CD1-CD1 3.49Å; L25-L209 VanDerWaalsContact CD1-CD1 3.49Å; V28-L209 HydrophobicContact CB-CD1 4.4Å; V28-L209 HydrophobicContact CG1-CD1 3.96Å; Y51-L209 HydrophobicContact CD1-CD1 3.73Å; Y51-L209 HydrophobicContact CE1-CD1 3.64Å; Y51-L209 HydrophobicContact CE1-CD2 3.87Å; Y51-L209 HydrophobicContact CE1-CG 4.42Å; Y199-L209 HydrophobicContact CD1-CD2 4.21Å; Y199-L209 HydrophobicContact CD2-CD2 4.43Å; Y199-L209 HydrophobicContact CG-CD2 4.14Å; L204-L209 HydrophobicContact CB-CD2 4.3Å; L204-L209 HydrophobicContact CB-CG 4.18Å; L204-L209 HydrophobicContact CD1-CD2 3.99Å; E205-L209 PolarHBondContact O-N 3.48Å; E205-L209 VanDerWaalsContact O-N 3.15Å; K206-L209 WeakPolarHBondContact O-CB 3.3Å; K206-L209 PolarHBondContact O-N 3.47Å; L209-G213 PolarHBondContact O-N 2.92Å; L209-W214 HydrophobicContact CB-CB 4.37Å; L209-W214 HydrophobicContact CD2-CB 4.11Å; L209-W214 HydrophobicContact CD2-CG 4.17Å; L209-W214 PolarHBondContact O-N 3.09Å; L209-V215 HydrophobicContact CB-CG2 4.3Å
210Q97.8Very high94.8Very high28 Ų2870.8 Ų70.813%0.13133%0.327CS..Hα-helixtrans-64.7-49.2178.3-67.1165.3-0.600111.4V28 S30 L32 K206 E208 R212 G213 V215V28-Q210 PolarHBondContact O-NE2 3.01Å; S30-Q210 PolarHBondContact O-NE2 3.26Å; L32-Q210 HydrophobicContact CD1-CB 3.79Å; L32-Q210 HydrophobicContact CD1-CG 3.81Å; K206-Q210 VanDerWaalsContact O-CG 3.23Å; K206-Q210 WeakPolarHBondContact O-CG 3.24Å; K206-Q210 PolarHBondContact O-N 3.23Å; E208-Q210 VanDerWaalsContact C-N 3.31Å; E208-Q210 PolarHBondContact O-N 3.32Å; Q210-R212 VanDerWaalsContact C-N 3.26Å; Q210-R212 PolarHBondContact O-N 3.41Å; Q210-G213 PolarHBondContact O-N 3.38Å; Q210-V215 WeakPolarHBondContact CA-O 3.11Å; Q210-V215 HydrophobicContact CG-CB 4.19Å; Q210-V215 HydrophobicContact CG-CG1 4.5Å
211K96.9Very high94.4Very high175 Ų17568.7 Ų68.776%0.76133%0.329SS*.Hα-helixtrans-59.4-35.5179.2-176.4179177-176.40112.9T207 E208 G213T207-K211 VanDerWaalsContact O-CB 3.29Å; T207-K211 WeakPolarHBondContact O-CB 3.33Å; T207-K211 PolarHBondContact O-N 3.24Å; E208-K211 PolarHBondContact O-N 3.29Å; K211-G213 VanDerWaalsContact C-N 3.3Å
212R96.6Very high94.2Very high131 Ų13170.7 Ų70.749%0.49434%0.336SS..THydrogen-bonded Turntrans-82.4-6177.1-67.9-179.8-171.8-157.32.3113.7E208 Q210E208-R212 WeakPolarHBondContact O-CB 3.39Å; E208-R212 VanDerWaalsContact O-CG 3.3Å; E208-R212 WeakPolarHBondContact O-CG 3.49Å; E208-R212 PolarHBondContact O-N 2.95Å; E208-R212 IonicContact OE1-CZ 2.68Å; E208-R212 IonicContact OE1-NE 2.69Å; E208-R212 PolarHBondContact OE1-NE 2.98Å; E208-R212 IonicContact OE1-NH2 3.49Å; E208-R212 PolarHBondContact OE1-NH2 3.26Å; Q210-R212 VanDerWaalsContact C-N 3.26Å; Q210-R212 PolarHBondContact O-N 3.41Å
213G95.6Very high94Very high26 Ų2662.8 Ų62.827%0.26831%0.308SS..THydrogen-bonded Turntrans82.212.1177.100000115.4L209 Q210 K211 V215L209-G213 PolarHBondContact O-N 2.92Å; Q210-G213 PolarHBondContact O-N 3.38Å; K211-G213 VanDerWaalsContact C-N 3.3Å; G213-V215 PolarHBondContact O-N 3.44Å
214W96.8Very high93.8Very high64 Ų6460.8 Ų60.824%0.24230%0.301CS..SBendtrans-68.6-26.7171.5-60.9110.3000111.9D196 H198 Y199 L209D196-W214 HydrophobicContact CB-CE3 4.01Å; D196-W214 WeakPolarHBondContact CB-O 3.13Å; D196-W214 PolarHBondContact N-O 2.74Å; H198-W214 HydrophobicContact CB-CZ3 4Å; Y199-W214 HydrophobicContact CD2-CD2 4.13Å; Y199-W214 AromaticContact CD2-CE2 3.59Å; Y199-W214 HydrophobicContact CD2-CG 4.42Å; Y199-W214 AromaticContact CD2-CZ2 3.89Å; Y199-W214 HydrophobicContact CD2-CZ2 3.89Å; Y199-W214 AromaticContact CD2-NE1 3.53Å; Y199-W214 HydrophobicContact CG-CD2 4.45Å; L209-W214 HydrophobicContact CB-CB 4.37Å; L209-W214 HydrophobicContact CD2-CB 4.11Å; L209-W214 HydrophobicContact CD2-CG 4.17Å; L209-W214 PolarHBondContact O-N 3.09Å
215V98Very high93.2Very high0 Ų064.2 Ų64.20%032%0.317CS..EExtended strand (participates in β ladder)trans-129.1106.9172.4-176.30000107.5V28 H29 L193 V194 V195 L209 Q210 G213V28-V215 HydrophobicContact CB-CG2 3.89Å; V28-V215 HydrophobicContact CG2-CG1 4.39Å; V28-V215 HydrophobicContact CG2-CG2 3.5Å; H29-V215 HydrophobicContact CB-CG1 4.04Å; L193-V215 HydrophobicContact CD1-CG1 4.48Å; V194-V215 WeakPolarHBondContact O-CA 3.33Å; V195-V215 HydrophobicContact CG1-CG2 4.49Å; V195-V215 HydrophobicContact CG2-CG1 3.99Å; V195-V215 HydrophobicContact CG2-CG2 4.2Å; L209-V215 HydrophobicContact CB-CG2 4.3Å; Q210-V215 WeakPolarHBondContact CA-O 3.11Å; Q210-V215 HydrophobicContact CG-CB 4.19Å; Q210-V215 HydrophobicContact CG-CG1 4.5Å; G213-V215 PolarHBondContact O-N 3.44Å
216A97.3Very high92.4Very high15 Ų1561.4 Ų61.412%0.12431%0.312CS..EExtended strand (participates in β ladder)trans-155.9150.6-170.900000112.5V194V194-A216 PolarHBondContact N-O 3.28Å; V194-A216 PolarHBondContact O-N 3.21Å
217W97.1Very high91.7Very high36 Ų3658.4 Ų58.414%0.13630%0.299CS..EExtended strand (participates in β ladder)trans-71.4127.5162.6-70.2106.7000110.2L32 P33 P35 L44 C184 Y191 L192 L193L32-W217 VanDerWaalsContact CD2-CD1 3.5Å; L32-W217 HydrophobicContact CD2-CG 4.33Å; P33-W217 PolarHBondContact O-NE1 3.13Å; P35-W217 HydrophobicContact CB-CB 3.74Å; P35-W217 HydrophobicContact CB-CD2 4.07Å; P35-W217 HydrophobicContact CB-CG 3.69Å; P35-W217 HydrophobicContact CG-CB 4.27Å; P35-W217 HydrophobicContact CG-CD2 3.59Å; P35-W217 HydrophobicContact CG-CE3 3.86Å; P35-W217 HydrophobicContact CG-CG 3.77Å; P35-W217 HydrophobicContact CG-CZ2 4.37Å; P35-W217 HydrophobicContact CG-CZ3 4.36Å; L44-W217 HydrophobicContact CD2-CH2 3.57Å; L44-W217 HydrophobicContact CD2-CZ2 3.7Å; C184-W217 HydrophobicContact CB-CE3 4.34Å; C184-W217 HydrophobicContact CB-CH2 3.73Å; C184-W217 HydrophobicContact CB-CZ2 4.49Å; C184-W217 HydrophobicContact CB-CZ3 3.65Å; Y191-W217 WeakPolarHBondContact O-CZ3 3.31Å; L192-W217 CarbonylContact O-C 3.56Å; L192-W217 WeakPolarHBondContact O-CA 3.19Å; L193-W217 HydrophobicContact CB-CD2 3.97Å; L193-W217 HydrophobicContact CB-CE3 3.75Å; L193-W217 HydrophobicContact CB-CH2 3.78Å; L193-W217 HydrophobicContact CB-CZ2 3.98Å; L193-W217 HydrophobicContact CB-CZ3 3.65Å; L193-W217 HydrophobicContact CD1-CD2 4.25Å; L193-W217 HydrophobicContact CD1-CG 4.47Å; L193-W217 HydrophobicContact CD2-CZ2 4.3Å; L193-W217 VanDerWaalsContact N-CE3 3.28Å
218K94.6Very high91.1Very high86 Ų8657 Ų5737%0.37429%0.285SS..EExtended strand (participates in β ladder)trans-117.9127.1175.7-61-62.5-175-179.40108.7Y191 L192 V194 V220Y191-K218 CarbonylContact C-O 3.51Å; Y191-K218 VanDerWaalsContact CA-O 3.29Å; Y191-K218 WeakPolarHBondContact CA-O 3.39Å; L192-K218 PolarHBondContact N-O 3.47Å; L192-K218 PolarHBondContact O-N 3.26Å; V194-K218 HydrophobicContact CB-CG 4.1Å; V194-K218 HydrophobicContact CG2-CB 4.04Å; V194-K218 HydrophobicContact CG2-CG 3.71Å; K218-V220 PolarHBondContact O-N 3.35Å
219R93.6Very high90.8Very high101 Ų10154.6 Ų54.638%0.38127%0.273SS..EExtended strand (participates in β ladder)trans-66.5133.8174.6-162.5178.4-175.1-162.32.1108.9K188 Y191 S221 S222K188-R219 PolarHBondContact O-NH2 3.27Å; Y191-R219 HydrophobicContact CD1-CB 3.94Å; Y191-R219 HydrophobicContact CD1-CG 4.29Å; Y191-R219 HydrophobicContact CE1-CB 3.73Å; Y191-R219 HydrophobicContact CE1-CG 3.9Å; Y191-R219 HydrophobicContact CE2-CG 4.21Å; R219-S221 VanDerWaalsContact CD-OG 3.26Å; R219-S221 WeakPolarHBondContact CD-OG 3.29Å; R219-S221 WeakPolarHBondContact CG-OG 3.37Å; R219-S221 PolarHBondContact NE-OG 2.89Å; R219-S221 PolarHBondContact O-N 3.5Å; R219-S222 WeakPolarHBondContact O-CB 3.32Å; R219-S222 PolarHBondContact O-N 3.26Å; R219-S222 PolarHBondContact O-OG 3.11Å
220V91.2Very high90.6Very high0 Ų056 Ų560%028%0.281CS..G310 helixtrans-57-39.6-179.4165.70000111.6G145 L148 E149 V153 S190 L192 K218 S222 L223G145-V220 WeakPolarHBondContact O-CG1 3.16Å; L148-V220 HydrophobicContact CB-CG1 4.2Å; L148-V220 HydrophobicContact CD2-CB 4.14Å; L148-V220 HydrophobicContact CD2-CG1 3.47Å; L148-V220 VanDerWaalsContact CD2-CG1 3.47Å; L148-V220 HydrophobicContact CD2-CG2 3.65Å; L148-V220 HydrophobicContact CG-CG1 4.44Å; E149-V220 HydrophobicContact CB-CG1 3.96Å; E149-V220 WeakPolarHBondContact OE2-CB 3.18Å; E149-V220 VanDerWaalsContact OE2-CG1 3.25Å; E149-V220 WeakPolarHBondContact OE2-CG1 3.46Å; V153-V220 HydrophobicContact CG2-CG2 4.33Å; S190-V220 PolarHBondContact O-N 3.4Å; L192-V220 HydrophobicContact CD2-CG2 4.27Å; L192-V220 HydrophobicContact CG-CG2 3.96Å; K218-V220 PolarHBondContact O-N 3.35Å; V220-S222 PolarHBondContact O-N 3.37Å; V220-S222 VanDerWaalsContact O-N 3.14Å; V220-L223 VanDerWaalsContact O-CB 3.23Å; V220-L223 WeakPolarHBondContact O-CB 3.4Å; V220-L223 WeakPolarHBondContact O-CG 3.36Å; V220-L223 PolarHBondContact O-N 3.16Å
221S88.6Confident90.5Very high66 Ų6654.8 Ų54.846%0.46228%0.276SS..G310 helixtrans-66.9-11.1176.655.80000114.9R219 Q225R219-S221 VanDerWaalsContact CD-OG 3.26Å; R219-S221 WeakPolarHBondContact CD-OG 3.29Å; R219-S221 WeakPolarHBondContact CG-OG 3.37Å; R219-S221 PolarHBondContact NE-OG 2.89Å; R219-S221 PolarHBondContact O-N 3.5Å; S221-Q225 PolarHBondContact O-NE2 2.67Å
222S88.3Confident90.5Very high84 Ų8446.5 Ų46.559%0.58724%0.239SC*.G310 helixtrans-84.7-10.3171.772.80000113.6R219 V220R219-S222 WeakPolarHBondContact O-CB 3.32Å; R219-S222 PolarHBondContact O-N 3.26Å; R219-S222 PolarHBondContact O-OG 3.11Å; V220-S222 PolarHBondContact O-N 3.37Å; V220-S222 VanDerWaalsContact O-N 3.14Å
223L85.4Confident90.5Very high33 Ų3340.2 Ų40.217%0.17322%0.216CC..SBendtrans-72.4162.7173.6-59.5174.8000110.6L148 M169 L192 V220 Q225 Y229L148-L223 HydrophobicContact CD2-CD1 3.95Å; M169-L223 HydrophobicContact CE-CD1 3.85Å; L192-L223 HydrophobicContact CD1-CD1 4.37Å; V220-L223 VanDerWaalsContact O-CB 3.23Å; V220-L223 WeakPolarHBondContact O-CB 3.4Å; V220-L223 WeakPolarHBondContact O-CG 3.36Å; V220-L223 PolarHBondContact O-N 3.16Å; L223-Q225 PolarHBondContact O-N 3.01Å; L223-Q225 PolarHBondContact O-NE2 3.31Å; L223-Y229 HydrophobicContact CB-CE2 4.22Å
224D81.8Confident90.6Very high61 Ų6139 Ų3933%0.32620%0.203SC..  trans-65.9120.4178.1-171.6-14.3000110G144 G145 S226 Y229G144-D224 WeakPolarHBondContact CA-O 3.48Å; G145-D224 PolarHBondContact N-O 3.42Å; D224-S226 PolarHBondContact O-N 3.27Å; D224-S226 WeakPolarHBondContact OD1-CA 3.43Å; D224-S226 PolarHBondContact OD1-N 2.7Å; D224-S226 PolarHBondContact OD1-OG 2.89Å; D224-Y229 PolarHBondContact N-OH 3.13Å; D224-Y229 PolarHBondContact O-OH 3.36Å
225Q78.8Confident90.6Very high85 Ų8538.8 Ų38.840%0.39721%0.205SC..THydrogen-bonded Turntrans-78-9.9-178.7-55.6-57-51.700112.7S221 L223S221-Q225 PolarHBondContact O-NE2 2.67Å; L223-Q225 PolarHBondContact O-N 3.01Å; L223-Q225 PolarHBondContact O-NE2 3.31Å
226S77.1Confident90.2Very high76 Ų7639.5 Ų39.553%0.53121%0.209SC..THydrogen-bonded Turntrans-115.95.5-176.664.50000113.7R173 D224R173-S226 PolarHBondContact NH1-OG 3.01Å; D224-S226 PolarHBondContact O-N 3.27Å; D224-S226 WeakPolarHBondContact OD1-CA 3.43Å; D224-S226 PolarHBondContact OD1-N 2.7Å; D224-S226 PolarHBondContact OD1-OG 2.89Å
227S81Confident89.4Confident3 Ų340.7 Ų40.72%0.02122%0.219CC..SBendtrans-92.6165.6171.7-170.10000110.5G144G144-S227 WeakPolarHBondContact CA-O 3.37Å; G144-S227 PolarHBondContact N-O 2.98Å
228F84.2Confident87.8Confident68 Ų6843.2 Ų43.230%0.29825%0.247SC..  trans-97.9159.1155.565.6-97.3000110.2H140 V141 D172H140-F228 AromaticContact CE1-CD2 3.85Å; V141-F228 CarbonylContact O-C 3.53Å; V141-F228 WeakPolarHBondContact O-CA 3.37Å; V141-F228 WeakPolarHBondContact O-CB 3.42Å; D172-F228 HydrophobicContact CB-CD1 3.74Å; D172-F228 HydrophobicContact CB-CD2 4.26Å; D172-F228 HydrophobicContact CB-CE1 3.28Å; D172-F228 HydrophobicContact CB-CE2 3.84Å; D172-F228 HydrophobicContact CB-CG 4.22Å; D172-F228 HydrophobicContact CB-CZ 3.34Å; D172-F228 VanDerWaalsContact CG-CZ 3.43Å; D172-F228 VanDerWaalsContact OD2-CE1 3.32Å; D172-F228 WeakPolarHBondContact OD2-CE1 3.44Å
229Y88.7Confident85.5Confident5 Ų548.5 Ų48.52%0.0227%0.271CS..EExtended strand (participates in β ladder)trans-128.8137.4174.6-64.8-69.8000110.2V141 L148 M169 G170 L223 D224V141-Y229 PolarHBondContact N-O 2.82Å; V141-Y229 PolarHBondContact O-N 3.13Å; L148-Y229 HydrophobicContact CD1-CD2 4.26Å; L148-Y229 HydrophobicContact CD1-CG 4.46Å; M169-Y229 HydrophobicContact CE-CD1 3.22Å; M169-Y229 HydrophobicContact CE-CD2 3.93Å; M169-Y229 HydrophobicContact CE-CE1 3.66Å; M169-Y229 HydrophobicContact CE-CE2 4.3Å; M169-Y229 HydrophobicContact CE-CG 3.37Å; M169-Y229 HydrophobicContact CG-CD1 4.41Å; G170-Y229 WeakPolarHBondContact O-CA 3.18Å; L223-Y229 HydrophobicContact CB-CE2 4.22Å; D224-Y229 PolarHBondContact N-OH 3.13Å; D224-Y229 PolarHBondContact O-OH 3.36Å
230N92.8Very high83Confident34 Ų3447.4 Ų47.418%0.18229%0.29CS..EExtended strand (participates in β ladder)trans-109.6141167.2-64.3-59.5000109.1T121 V139 H140 M169 G170T121-N230 HydrophobicContact CG2-CB 3.91Å; T121-N230 WeakPolarHBondContact CG2-O 3.42Å; T121-N230 WeakPolarHBondContact OG1-CB 3.43Å; V139-N230 CarbonylContact O-C 3.58Å; V139-N230 WeakPolarHBondContact O-CA 3.43Å; H140-N230 PolarHBondContact ND1-OD1 2.91Å; M169-N230 WeakPolarHBondContact CA-O 3.45Å; G170-N230 PolarHBondContact N-O 2.97Å; G170-N230 PolarHBondContact O-N 2.9Å
231L95.4Very high80.2Confident2 Ų258.8 Ų58.81%0.0135%0.349CS..EExtended strand (participates in β ladder)trans-121.4132.7175.6-57.7163.7000108.9V138 V139 A152 L156 I167 M168 M169 L233V138-L231 CarbonylContact C-O 3.59Å; V138-L231 VanDerWaalsContact CA-O 3.27Å; V138-L231 WeakPolarHBondContact CA-O 3.44Å; V139-L231 HydrophobicContact CB-CB 4.25Å; V139-L231 HydrophobicContact CB-CD1 4.46Å; V139-L231 PolarHBondContact N-O 2.99Å; V139-L231 PolarHBondContact O-N 3.45Å; A152-L231 HydrophobicContact CB-CD1 3.8Å; L156-L231 HydrophobicContact CD2-CD1 4.34Å; I167-L231 HydrophobicContact CG2-CB 4.17Å; I167-L231 HydrophobicContact CG2-CD2 4.18Å; M168-L231 CarbonylContact O-C 3.55Å; M168-L231 VanDerWaalsContact O-CA 3.3Å; M168-L231 WeakPolarHBondContact O-CA 3.33Å; M169-L231 HydrophobicContact CB-CD2 3.64Å; M169-L231 HydrophobicContact CG-CD2 3.62Å; M169-L231 HydrophobicContact SD-CD2 4.08Å; L231-L233 HydrophobicContact CB-CD1 3.43Å; L231-L233 VanDerWaalsContact CB-CD1 3.43Å
232C97.4Very high79.8Confident0 Ų058.5 Ų58.50%034%0.343CS..EExtended strand (participates in β ladder)trans-109.8111173.6178.50000109.7T121 C136 I167 M168 P234T121-C232 HydrophobicContact CG2-CB 4.11Å; C136-C232 WeakPolarHBondContact CB-SG 3.21Å; C136-C232 VanDerWaalsContact SG-SG 3.67Å; I167-C232 WeakPolarHBondContact CG2-O 2.92Å; M168-C232 HydrophobicContact CB-CB 4.24Å; M168-C232 PolarHBondContact N-O 3.41Å; M168-C232 PolarHBondContact O-N 3.35Å; C232-P234 WeakPolarHBondContact O-CD 3.3Å
233L97.9Very high79.3Confident0 Ų057.1 Ų57.10%033%0.33CS..EExtended strand (participates in β ladder)trans-109.4103.7-171.2-75.371.3000111C136 K137 V139 E155 H159 I167 L231 Q235C136-L233 CarbonylContact C-O 3.58Å; C136-L233 WeakPolarHBondContact CA-O 3.36Å; K137-L233 HydrophobicContact CB-CB 4.27Å; K137-L233 PolarHBondContact N-O 2.93Å; K137-L233 WeakPolarHBondContact O-CB 3.43Å; K137-L233 PolarHBondContact O-N 3.34Å; V139-L233 HydrophobicContact CG2-CD1 4.08Å; V139-L233 HydrophobicContact CG2-CD2 4.42Å; E155-L233 HydrophobicContact CG-CD2 3.87Å; H159-L233 HydrophobicContact CB-CD2 3.93Å; I167-L233 HydrophobicContact CD1-CD1 4.49Å; I167-L233 HydrophobicContact CD1-CD2 4.38Å; I167-L233 HydrophobicContact CD1-CG 3.87Å; I167-L233 HydrophobicContact CG1-CG 4.04Å; I167-L233 HydrophobicContact CG2-CD1 3.97Å; I167-L233 HydrophobicContact CG2-CG 4.29Å; L231-L233 HydrophobicContact CB-CD1 3.43Å; L231-L233 VanDerWaalsContact CB-CD1 3.43Å; L233-Q235 PolarHBondContact O-N 2.81Å; L233-Q235 PolarHBondContact O-NE2 3.27Å
234P96.9Very high79Confident1 Ų158.4 Ų58.41%0.00634%0.339CS..EExtended strand (participates in β ladder)trans-65.2126.9-179.4-22.434.5000113.4M74 L128 V134 H159 S165 P166 C232 T236M74-P234 HydrophobicContact CE-CG 3.29Å; L128-P234 HydrophobicContact CD1-CG 4.1Å; V134-P234 HydrophobicContact CG1-CB 3.79Å; H159-P234 PolarHBondContact CE1-O 2.79Å; H159-P234 VanDerWaalsContact CE1-O 3.26Å; S165-P234 PolarHBondContact OG-O 2.89Å; P166-P234 VanDerWaalsContact O-CD 3.31Å; P166-P234 WeakPolarHBondContact O-CD 3.26Å; C232-P234 WeakPolarHBondContact O-CD 3.3Å; P234-T236 HydrophobicContact CB-CG2 4.07Å; P234-T236 PolarHBondContact O-N 2.98Å
235Q96Very high78.8Confident59 Ų5958.3 Ų58.328%0.27634%0.34SS..  trans-91.983.8-176.6-56.5-62.4-71.600110.5P135 K137 H163 L233P135-Q235 HydrophobicContact CG-CB 4.39Å; P135-Q235 VanDerWaalsContact O-CB 3.31Å; P135-Q235 WeakPolarHBondContact O-CB 3.36Å; P135-Q235 PolarHBondContact O-N 2.95Å; K137-Q235 HydrophobicContact CB-CG 4.42Å; H163-Q235 PolarHBondContact NE2-OE1 3.12Å; L233-Q235 PolarHBondContact O-N 2.81Å; L233-Q235 PolarHBondContact O-NE2 3.27Å
236T90.6Very high78.8Confident15 Ų1556.6 Ų56.69%0.09234%0.336CS..  trans-100.6-7.1-168.3560000115W77 V134 H163 P234W77-T236 HydrophobicContact CH2-CG2 4.45Å; W77-T236 HydrophobicContact CZ3-CG2 3.81Å; V134-T236 HydrophobicContact CG1-CG2 3.76Å; H163-T236 WeakPolarHBondContact CB-OG1 3.44Å; H163-T236 PolarHBondContact ND1-N 2.77Å; H163-T236 VanDerWaalsContact ND1-N 3.16Å; H163-T236 PolarHBondContact O-OG1 2.9Å; P234-T236 HydrophobicContact CB-CG2 4.07Å; P234-T236 PolarHBondContact O-N 2.98Å
237A81.1Confident79Confident39 Ų3955.3 Ų55.332%0.32232%0.323SS..SBendtrans-69139.1178.300000108.7K162 H163 K239K162-A237 HydrophobicContact CG-CB 4.2Å; H163-A237 PolarHBondContact ND1-N 3.06Å; H163-A237 VanDerWaalsContact ND1-N 3.11Å; A237-K239 PolarHBondContact O-N 3.06Å
238A61.9Low78.8Confident89 Ų8959.1 Ų59.174%0.73635%0.345SS*.PPolyproline II helixtrans-53.6134.1173.900000109.1G240A238-G240 PolarHBondContact O-N 3.42Å
239K47.6Very low78.4Confident198 Ų19858.4 Ų58.486%0.86135%0.348SS*.PPolyproline II helixtrans-54.3120.2161.7-77.4-179.31781740105.1A237 I241A237-K239 PolarHBondContact O-N 3.06Å; K239-I241 PolarHBondContact O-N 3.04Å
240G41.2Very low77.6Confident77 Ų7762.8 Ų62.879%0.79438%0.376SS*.PPolyproline II helixtrans-48.1121175.400000108A238A238-G240 PolarHBondContact O-N 3.42Å
241I31.8Very low76.2Confident240 Ų24065.5 Ų65.5100%1.23139%0.393SS*.  trans-74.40166.7-59.2176.1000106.6K239K239-I241 PolarHBondContact O-N 3.04Å

Retrieved 241 of 241 residues in 123.9 ms (Link to these results)

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