A0A077Z9G2_TRITR Loading...

Ras domain containing protein

AlphaFold DB , UniProt , Accession A0A077Z9G2, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 225 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
1M32.9Very low33.7Very low225 Ų225145.8 Ų145.8100%1.10887%0.873SS**  0119.80-151.9165.6-172.700105.9
2E34.1Very low33.7Very low172 Ų172144.5 Ų144.580%0.80487%0.866SS**  trans51.1110.5158.9-62.3177.5145.800119.3
3V28.8Very low33.8Very low142 Ų142151.9 Ų151.986%0.86187%0.87SS**  trans-154.2116.2133.6-99.40000106.5
4E30.2Very low33.8Very low200 Ų200152.4 Ų152.494%0.93587%0.865SS**  trans-177.3158.2138.2-108.1-172.9145.800113.4
5A34.9Very low34.1Very low98 Ų98148.5 Ų148.581%0.8186%0.86SS**  trans79.4141.4176.300000116.7
6A33.8Very low34.4Very low103 Ų103149.9 Ų149.985%0.85186%0.856SS**  cis-176.7150.4-17.400000105.4
7G27.8Very low34.7Very low74 Ų74148.2 Ų148.276%0.76385%0.852SS**  trans118.4110.9154.900000116.7
8S39.8Very low35.1Very low124 Ų124145.9 Ų145.987%0.86785%0.846SS**  -179.7128118.543.30000110
9V31.7Very low35.5Very low155 Ų155150.6 Ų150.694%0.93985%0.848SS**  trans-86122.1176.7179.30000107.3
10S41Very low36.3Very low114 Ų114149.9 Ų149.980%0.79785%0.847SS**  trans-109.1139178.3-175.20000111.5
11F35.2Very low36.9Very low197 Ų197148.7 Ų148.786%0.86484%0.843SS**  trans-71.7124.8-164.7-140.7-102.1000112.3R13F11-R13 PolarHBondContact O-N 3.33Å; F11-R13 VanDerWaalsContact O-N 3.14Å
12T34Very low37.8Very low130 Ų130142.7 Ų142.780%0.79882%0.823SS**  trans-65.6107.7170.628.90000110.7I14T12-I14 PolarHBondContact O-N 3.25Å
13R35.3Very low38.9Very low241 Ų241144.9 Ų144.991%0.90982%0.824SS**  trans-71.4115.6164.1-96.4-176.5170.6-175.7-2.1109F11 A15F11-R13 PolarHBondContact O-N 3.33Å; F11-R13 VanDerWaalsContact O-N 3.14Å; R13-A15 PolarHBondContact O-N 3.19Å; R13-A15 VanDerWaalsContact O-N 3.1Å
14I33.1Very low40.3Very low158 Ų158143 Ų14381%0.8182%0.815SS**  trans-62.5108.3167.5-62.1171000107.5T12 Q16T12-I14 PolarHBondContact O-N 3.25Å; I14-Q16 PolarHBondContact O-N 2.63Å
15A39.3Very low42.2Very low94 Ų94138.8 Ų138.878%0.77780%0.803SS**  trans-71111170.500000108.3R13R13-A15 PolarHBondContact O-N 3.19Å; R13-A15 VanDerWaalsContact O-N 3.1Å
16Q39Very low44.1Very low171 Ų171135.5 Ų135.580%0.79977%0.774SS**  trans-67.8140.9169.4-76.1-174.8-23.800109.6I14 S18I14-Q16 PolarHBondContact O-N 2.63Å; Q16-S18 PolarHBondContact O-N 3.45Å; Q16-S18 VanDerWaalsContact O-N 3.11Å
17P39.5Very low46.3Very low122 Ų122140 Ų14079%0.79277%0.769SS**  trans-65.4116.5-17525.2-31.5000109.7R19P17-R19 PolarHBondContact O-N 3.21Å; P17-R19 VanDerWaalsContact O-N 3.12Å
18S42.2Very low49.3Very low106 Ų106138.2 Ų138.274%0.74174%0.739SS**  trans-54.6115.6167.636.60000108.3Q16 V20Q16-S18 PolarHBondContact O-N 3.45Å; Q16-S18 VanDerWaalsContact O-N 3.11Å; S18-V20 PolarHBondContact O-N 3.26Å
19R42.7Very low51.8Low235 Ų235132.7 Ų132.789%0.88770%0.7SS**  trans-52.2108.1168.3-80.3176.1146.8-178.2-6.8107.6P17 V21P17-R19 PolarHBondContact O-N 3.21Å; P17-R19 VanDerWaalsContact O-N 3.12Å; R19-V21 VanDerWaalsContact C-N 3.27Å; R19-V21 PolarHBondContact O-N 2.93Å
20V50.2Low54.8Low136 Ų136125.3 Ų125.382%0.82466%0.655SS**  trans-62.896.6168-179.10000105.6S18 S22S18-V20 PolarHBondContact O-N 3.26Å; V20-S22 PolarHBondContact O-N 2.95Å
21V49.1Very low57.3Low125 Ų125120.7 Ų120.776%0.75862%0.62SS**  trans-62.6105.6167.9177.70000104.8R19 R23R19-V21 VanDerWaalsContact C-N 3.27Å; R19-V21 PolarHBondContact O-N 2.93Å; V21-R23 PolarHBondContact O-N 3.36Å; V21-R23 VanDerWaalsContact O-N 3.09Å
22S51.3Low60.1Low100 Ų100111.3 Ų111.370%0.69958%0.579SS**  trans-56.7118.8177.142.90000107.5V20V20-S22 PolarHBondContact O-N 2.95Å
23R57.7Low62.9Low218 Ų218105.1 Ų105.182%0.82354%0.541SS*.  trans-54.2132.5174.2-87.1-177.9160.8-171.9-4.9107.7V21 T25V21-R23 PolarHBondContact O-N 3.36Å; V21-R23 VanDerWaalsContact O-N 3.09Å; R23-T25 PolarHBondContact O-N 2.98Å
24P59.4Low65.7Low103 Ų10393.7 Ų93.767%0.66950%0.498SS*.  trans-50.4115.5175-25.633000109.5L77P24-L77 HydrophobicContact CB-CD1 3.16Å; P24-L77 HydrophobicContact CB-CG 4.48Å; P24-L77 HydrophobicContact CG-CD1 4.28Å
25T69.5Low68.6Low110 Ų11086.1 Ų86.168%0.67546%0.46SS*.  trans-91.2125.9-179.446.90000108.5R23 R27R23-T25 PolarHBondContact O-N 2.98Å; T25-R27 PolarHBondContact O-N 3.47Å
26C75Confident71.2Confident30 Ų3081.7 Ų81.720%0.20342%0.423CS..  trans-76.3114.4171.2177.50000108.6R28 L77 L78 R79C26-R28 PolarHBondContact SG-O 3.14Å; C26-L77 HydrophobicContact CB-CB 4.46Å; C26-L77 PolarHBondContact SG-O 2.95Å; C26-L78 VanDerWaalsContact SG-C 3.51Å; C26-R79 HydrophobicContact CB-CB 4.44Å; C26-R79 WeakPolarHBondContact SG-CB 3.46Å; C26-R79 PolarHBondContact SG-N 3.29Å
27R79.7Confident73.8Confident198 Ų19874.8 Ų74.875%0.74739%0.391SS*.  trans-82.7-22.6-177.1-67.9-171.4177.8-168.60.4113.7T25T25-R27 PolarHBondContact O-N 3.47Å
28R89.8Confident76.2Confident36 Ų3671.1 Ų71.114%0.13637%0.367CS..EExtended strand (participates in β ladder)trans-127.3126.9-173.8-67.9-165.1-75.3160.6-15.2111.1C26 F30 E76 L78 R79 Q195C26-R28 PolarHBondContact SG-O 3.14Å; R28-F30 HydrophobicContact CB-CE2 4.32Å; R28-F30 HydrophobicContact CB-CZ 4.31Å; R28-E76 IonicContact CZ-OE1 2.65Å; R28-E76 IonicContact CZ-OE2 3.44Å; R28-E76 IonicContact NE-OE1 3Å; R28-E76 PolarHBondContact NE-OE1 3.22Å; R28-E76 IonicContact NE-OE2 3.58Å; R28-E76 IonicContact NH2-OE1 3.73Å; R28-E76 PolarHBondContact NH2-OE1 3.41Å; R28-E76 VanDerWaalsContact NH2-OE1 3.16Å; R28-E76 IonicContact NH2-OE2 2.62Å; R28-E76 PolarHBondContact NH2-OE2 3.26Å; R28-L78 HydrophobicContact CB-CD2 4.11Å; R28-R79 PolarHBondContact O-N 2.9Å; R28-Q195 PolarHBondContact NH1-O 3.44Å
29T92.8Very high78.5Confident7 Ų772 Ų724%0.04336%0.364CS..EExtended strand (participates in β ladder)trans-112.3126.7173.3-60.60000109.1R79 Q81T29-R79 CarbonylContact C-O 3.58Å; T29-R79 VanDerWaalsContact CA-O 3.31Å; T29-R79 WeakPolarHBondContact CA-O 3.13Å; T29-R79 HydrophobicContact CG2-CB 4.34Å; T29-R79 HydrophobicContact CG2-CG 4.12Å; T29-Q81 VanDerWaalsContact CG2-CD 3.42Å; T29-Q81 HydrophobicContact CG2-CG 3.82Å
30F94.4Very high81.1Confident1 Ų160.9 Ų60.90%0.00432%0.322CS..EExtended strand (participates in β ladder)trans-109.6129.9175.8-61.3-67.4000110.1R28 L78 R79 Q81 H104 L194R28-F30 HydrophobicContact CB-CE2 4.32Å; R28-F30 HydrophobicContact CB-CZ 4.31Å; F30-L78 HydrophobicContact CE2-CB 4.31Å; F30-L78 HydrophobicContact CE2-CD1 4.21Å; F30-L78 HydrophobicContact CE2-CD2 3.97Å; F30-L78 HydrophobicContact CE2-CG 4.39Å; F30-R79 PolarHBondContact N-O 3.23Å; F30-Q81 PolarHBondContact O-N 2.88Å; F30-H104 HydrophobicContact CB-CB 4.33Å; F30-H104 HydrophobicContact CD1-CB 4.1Å; F30-H104 AromaticContact CD1-CD2 3.94Å; F30-L194 HydrophobicContact CB-CD1 3.95Å; F30-L194 HydrophobicContact CB-CD2 4.39Å; F30-L194 HydrophobicContact CD1-CB 4.15Å; F30-L194 HydrophobicContact CD1-CD2 3.95Å; F30-L194 HydrophobicContact CD1-CG 4.5Å; F30-L194 HydrophobicContact CD2-CB 4.14Å; F30-L194 HydrophobicContact CD2-CD1 4.46Å; F30-L194 HydrophobicContact CE1-CB 4.15Å; F30-L194 HydrophobicContact CE1-CD2 4.47Å; F30-L194 WeakPolarHBondContact CE1-O 3.12Å; F30-L194 HydrophobicContact CE2-CB 4.12Å; F30-L194 HydrophobicContact CG-CB 4.12Å; F30-L194 HydrophobicContact CG-CD1 4.13Å; F30-L194 HydrophobicContact CG-CD2 4.24Å; F30-L194 HydrophobicContact CG-CG 4.42Å; F30-L194 HydrophobicContact CZ-CB 4.11Å; F30-L194 WeakPolarHBondContact CZ-O 3.36Å
31K93.1Very high83.2Confident16 Ų1655 Ų557%0.0729%0.289CS..EExtended strand (participates in β ladder)trans-97.5118.3174.1171.5170.3178.4-1710109.7W83 H98 Y99 R101 N102 H104 A105K31-W83 HydrophobicContact CD-CD2 4.5Å; K31-W83 HydrophobicContact CD-CZ2 4.09Å; K31-W83 HydrophobicContact CG-CG 4.35Å; K31-H98 PolarHBondContact NZ-O 3.18Å; K31-Y99 WeakPolarHBondContact CE-O 3.34Å; K31-Y99 PolarHBondContact NZ-O 3.2Å; K31-R101 PolarHBondContact NZ-O 3.07Å; K31-N102 WeakPolarHBondContact CB-O 3.36Å; K31-H104 PolarHBondContact N-ND1 2.76Å; K31-H104 WeakPolarHBondContact O-CB 3.31Å; K31-H104 PolarHBondContact O-N 2.84Å; K31-A105 PolarHBondContact O-N 3.25Å
32V94.3Very high85.4Confident0 Ų049.5 Ų49.50%026%0.255CS..EExtended strand (participates in β ladder)trans-112.9128.5177.3-175.70000108.1V80 Q81 F82 W83 A105 I107 L190 L194V32-V80 HydrophobicContact CG2-CG1 3.7Å; V32-Q81 PolarHBondContact N-O 3.37Å; V32-F82 HydrophobicContact CB-CD1 3.88Å; V32-F82 HydrophobicContact CB-CE1 4.09Å; V32-F82 HydrophobicContact CG1-CD1 4.07Å; V32-F82 HydrophobicContact CG1-CE1 4.22Å; V32-F82 HydrophobicContact CG2-CD1 4.46Å; V32-F82 HydrophobicContact CG2-CE1 4.21Å; V32-F82 WeakPolarHBondContact O-CA 3.49Å; V32-W83 PolarHBondContact O-N 3.1Å; V32-A105 WeakPolarHBondContact CA-O 3.35Å; V32-A105 HydrophobicContact CG1-CB 4.4Å; V32-A105 HydrophobicContact CG2-CB 4.26Å; V32-I107 HydrophobicContact CG1-CD1 3.8Å; V32-I107 HydrophobicContact CG1-CG1 3.71Å; V32-L190 HydrophobicContact CG1-CD2 3.84Å; V32-L190 HydrophobicContact CG2-CD2 4.19Å; V32-L194 HydrophobicContact CG2-CD1 4.09Å
33I93.2Very high87.4Confident1 Ų146.2 Ų46.21%0.00523%0.23CC..EExtended strand (participates in β ladder)trans-99.3141.7172.676.9177.1000109.4L35 W83 Y100 V103 A105 I106 I107I33-L35 HydrophobicContact CD1-CD1 3.59Å; I33-L35 HydrophobicContact CD1-CD2 4.08Å; I33-L35 HydrophobicContact CD1-CG 3.83Å; I33-L35 HydrophobicContact CG1-CD1 4.16Å; I33-L35 HydrophobicContact CG1-CD2 4.44Å; I33-L35 HydrophobicContact CG1-CG 3.98Å; I33-W83 HydrophobicContact CG2-CB 4.41Å; I33-Y100 HydrophobicContact CD1-CD1 3.74Å; I33-Y100 HydrophobicContact CD1-CE1 3.35Å; I33-V103 HydrophobicContact CD1-CG2 4.5Å; I33-V103 HydrophobicContact CG1-CG1 4.32Å; I33-V103 HydrophobicContact CG2-CB 4.32Å; I33-V103 HydrophobicContact CG2-CG1 3.95Å; I33-V103 HydrophobicContact CG2-CG2 3.38Å; I33-A105 PolarHBondContact N-O 3.43Å; I33-A105 VanDerWaalsContact N-O 3.1Å; I33-I106 HydrophobicContact CD1-CD1 4.49Å; I33-I106 HydrophobicContact CD1-CG1 4.05Å; I33-I106 HydrophobicContact CD1-CG2 4.24Å; I33-I106 HydrophobicContact CG1-CB 4.21Å; I33-I106 HydrophobicContact CG1-CG1 3.93Å; I33-I106 HydrophobicContact CG1-CG2 3.91Å; I33-I107 PolarHBondContact O-N 3.05Å
34V94.7Very high89.2Confident0 Ų036.6 Ų36.60%020%0.196CC..EExtended strand (participates in β ladder)trans-112.8119.5175.6-1650000108.3K42 W83 T85 I107 V109V34-K42 HydrophobicContact CB-CB 4.45Å; V34-K42 HydrophobicContact CG1-CB 3.7Å; V34-K42 HydrophobicContact CG1-CD 4.09Å; V34-K42 HydrophobicContact CG1-CG 3.89Å; V34-W83 PolarHBondContact N-O 3.05Å; V34-T85 PolarHBondContact O-N 3.03Å; V34-T85 PolarHBondContact O-OG1 3.42Å; V34-T85 VanDerWaalsContact O-OG1 3.05Å; V34-I107 WeakPolarHBondContact CA-O 3.49Å; V34-I107 HydrophobicContact CG1-CB 4.27Å; V34-I107 HydrophobicContact CG1-CG2 4.31Å; V34-I107 HydrophobicContact CG2-CB 4.48Å; V34-I107 HydrophobicContact CG2-CD1 4.48Å; V34-V109 HydrophobicContact CG1-CG2 3.65Å
35L93.8Very high91Very high0 Ų031.8 Ų31.80%017%0.165CC..EExtended strand (participates in β ladder)trans-122.7157-172.4-63.5-179000111.5I33 T85 Y100 I106 I107 F108 V109 W124 C128I33-L35 HydrophobicContact CD1-CD1 3.59Å; I33-L35 HydrophobicContact CD1-CD2 4.08Å; I33-L35 HydrophobicContact CD1-CG 3.83Å; I33-L35 HydrophobicContact CG1-CD1 4.16Å; I33-L35 HydrophobicContact CG1-CD2 4.44Å; I33-L35 HydrophobicContact CG1-CG 3.98Å; L35-T85 HydrophobicContact CD2-CG2 4.12Å; L35-T85 WeakPolarHBondContact CD2-OG1 3.38Å; L35-Y100 HydrophobicContact CD1-CE1 4.18Å; L35-Y100 WeakPolarHBondContact CD1-OH 3.1Å; L35-Y100 WeakPolarHBondContact CD2-OH 3.34Å; L35-I106 HydrophobicContact CD1-CG2 3.93Å; L35-I106 HydrophobicContact CG-CG2 4.42Å; L35-I107 PolarHBondContact N-O 2.83Å; L35-F108 HydrophobicContact CB-CD1 4.09Å; L35-F108 HydrophobicContact CB-CE1 4.31Å; L35-F108 HydrophobicContact CD1-CE1 3.94Å; L35-F108 HydrophobicContact CD1-CZ 4.5Å; L35-V109 PolarHBondContact O-N 3.04Å; L35-W124 HydrophobicContact CB-CE3 3.9Å; L35-W124 HydrophobicContact CB-CZ3 4.36Å; L35-W124 HydrophobicContact CD2-CE3 4.06Å; L35-W124 HydrophobicContact CD2-CZ3 4.01Å; L35-W124 HydrophobicContact CG-CE3 4.39Å; L35-C128 WeakPolarHBondContact CD1-SG 3.35Å
36G93.9Very high92.3Very high0 Ų026.6 Ų26.60%013%0.133CC..  trans136166.7-176.300000111.5K42 V109 W124G36-K42 WeakPolarHBondContact O-CE 3.38Å; G36-K42 PolarHBondContact O-NZ 3.45Å; G36-V109 WeakPolarHBondContact CA-O 3.35Å; G36-W124 VanDerWaalsContact C-CE2 3.44Å; G36-W124 WeakPolarHBondContact O-CH2 3.33Å; G36-W124 WeakPolarHBondContact O-CZ2 3.3Å
37D92.7Very high93.2Very high26 Ų2626.9 Ų26.914%0.13913%0.131CC..  trans-58.7163.1-175.4-85.520.8000113.7V40 K42 Q120 W124D37-V40 HydrophobicContact CB-CG1 3.91Å; D37-V40 VanDerWaalsContact O-CG2 3.28Å; D37-V40 WeakPolarHBondContact O-CG2 3.4Å; D37-K42 PolarHBondContact O-NZ 2.98Å; D37-Q120 VanDerWaalsContact OD1-CB 3.27Å; D37-Q120 WeakPolarHBondContact OD1-CB 3.31Å; D37-Q120 WeakPolarHBondContact OD2-CG 3.28Å; D37-W124 PolarHBondContact OD1-NE1 2.91Å
38P90Very high94Very high45 Ų4517.7 Ų17.729%0.29210%0.096SC..THydrogen-bonded Turntrans-52.1150.1167.9-22.431.4000111.7V40 G87 Q88P38-V40 PolarHBondContact O-N 3.42Å; P38-G87 WeakPolarHBondContact CD-O 3.43Å; P38-G87 VanDerWaalsContact CG-C 3.46Å; P38-Q88 HydrophobicContact CG-CG 4.24Å
39N92.1Very high94.3Very high125 Ų12516.1 Ų16.167%0.6689%0.091SC*.THydrogen-bonded Turntrans62.93.5172.2-57.3-9000116.6G41 K145N39-G41 PolarHBondContact O-N 3.29Å; N39-K145 WeakPolarHBondContact O-CE 2.8Å; N39-K145 PolarHBondContact O-NZ 3.05Å
40V95.5Very high94.4Very high2 Ų217 Ų171%0.01210%0.097CC..SBendtrans-69.4-15174.4-55.90000113.4D37 P38 K42 V109 D111 N144D37-V40 HydrophobicContact CB-CG1 3.91Å; D37-V40 VanDerWaalsContact O-CG2 3.28Å; D37-V40 WeakPolarHBondContact O-CG2 3.4Å; P38-V40 PolarHBondContact O-N 3.42Å; V40-K42 HydrophobicContact CG2-CD 4.29Å; V40-K42 HydrophobicContact CG2-CG 3.6Å; V40-V109 HydrophobicContact CB-CG1 4.28Å; V40-V109 HydrophobicContact CG2-CB 3.93Å; V40-V109 HydrophobicContact CG2-CG1 3.77Å; V40-D111 HydrophobicContact CB-CB 4.25Å; V40-D111 HydrophobicContact CG1-CB 4.14Å; V40-N144 PolarHBondContact O-ND2 3.33Å
41G95.7Very high94.4Very high12 Ų1221.1 Ų21.112%0.12412%0.119CC..SBendtrans101.121.6174.600000115.8N39 T43 C44 L45N39-G41 PolarHBondContact O-N 3.29Å; G41-T43 VanDerWaalsContact C-N 3.35Å; G41-T43 PolarHBondContact O-N 3.48Å; G41-C44 WeakPolarHBondContact O-CB 3.38Å; G41-C44 PolarHBondContact O-N 3.33Å; G41-C44 VanDerWaalsContact O-N 3.11Å; G41-L45 PolarHBondContact O-N 3.37Å
42K94.5Very high94.4Very high9 Ų922.9 Ų22.94%0.03914%0.142CC..Hα-helixtrans-49.7-50.4175.8-57.4-171.9-61.4-77.10113.2V34 G36 D37 V40 C44 L45 S46 D84 T85 V109V34-K42 HydrophobicContact CB-CB 4.45Å; V34-K42 HydrophobicContact CG1-CB 3.7Å; V34-K42 HydrophobicContact CG1-CD 4.09Å; V34-K42 HydrophobicContact CG1-CG 3.89Å; G36-K42 WeakPolarHBondContact O-CE 3.38Å; G36-K42 PolarHBondContact O-NZ 3.45Å; D37-K42 PolarHBondContact O-NZ 2.98Å; V40-K42 HydrophobicContact CG2-CD 4.29Å; V40-K42 HydrophobicContact CG2-CG 3.6Å; K42-C44 PolarHBondContact O-N 2.8Å; K42-L45 PolarHBondContact O-N 3.16Å; K42-S46 PolarHBondContact O-N 3.16Å; K42-S46 PolarHBondContact O-OG 3.25Å; K42-D84 WeakPolarHBondContact CB-OD1 3.21Å; K42-T85 WeakPolarHBondContact CE-O 3.5Å; K42-T85 PolarHBondContact NZ-O 2.92Å; K42-V109 HydrophobicContact CG-CB 4.01Å; K42-V109 HydrophobicContact CG-CG2 4.12Å
43T94Very high94.4Very high31 Ų3128.9 Ų28.919%0.1917%0.168CC..Hα-helixtrans-61-44.5176.9-40.70000111.8G41 L45 S46 F47 T61 R67 D84G41-T43 VanDerWaalsContact C-N 3.35Å; G41-T43 PolarHBondContact O-N 3.48Å; T43-L45 PolarHBondContact O-N 3.45Å; T43-S46 PolarHBondContact O-N 3.41Å; T43-S46 PolarHBondContact O-OG 2.81Å; T43-S46 VanDerWaalsContact O-OG 3.07Å; T43-F47 WeakPolarHBondContact O-CB 3.03Å; T43-F47 PolarHBondContact O-N 3.46Å; T43-T61 PolarHBondContact OG1-OG1 3.34Å; T43-R67 VanDerWaalsContact CG2-NH1 3.33Å; T43-D84 WeakPolarHBondContact CA-OD2 3.43Å; T43-D84 WeakPolarHBondContact CB-OD2 3.14Å; T43-D84 WeakPolarHBondContact CG2-OD2 3.38Å; T43-D84 PolarHBondContact N-OD2 3.28Å; T43-D84 PolarHBondContact OG1-OD2 3.12Å
44C96Very high94.5Very high16 Ų1632 Ų3211%0.10818%0.181CC..Hα-helixtrans-65.4-40.9-179.3-62.70000111.8G41 K42 R48 F54 P55 A174G41-C44 WeakPolarHBondContact O-CB 3.38Å; G41-C44 PolarHBondContact O-N 3.33Å; G41-C44 VanDerWaalsContact O-N 3.11Å; K42-C44 PolarHBondContact O-N 2.8Å; C44-R48 VanDerWaalsContact O-CB 3.26Å; C44-R48 WeakPolarHBondContact O-CB 3.39Å; C44-R48 PolarHBondContact O-N 2.62Å; C44-F54 HydrophobicContact CB-CD2 4.33Å; C44-F54 HydrophobicContact CB-CE2 3.76Å; C44-P55 HydrophobicContact CB-CG 4.35Å; C44-A174 HydrophobicContact CB-CB 3.67Å
45L96.9Very high94.5Very high3 Ų332.6 Ų32.62%0.01619%0.185CC..Hα-helixtrans-63.4-51176.2-74.4169.3000111.5G41 K42 T43 F47 R48 F49 V109 V142 N144 T172 A174 I183G41-L45 PolarHBondContact O-N 3.37Å; K42-L45 PolarHBondContact O-N 3.16Å; T43-L45 PolarHBondContact O-N 3.45Å; L45-F47 VanDerWaalsContact C-N 3.34Å; L45-F47 PolarHBondContact O-N 3.18Å; L45-R48 PolarHBondContact O-N 3.02Å; L45-F49 PolarHBondContact O-N 3.18Å; L45-V109 HydrophobicContact CD1-CG1 3.67Å; L45-V109 HydrophobicContact CD1-CG2 4.03Å; L45-V142 HydrophobicContact CD1-CG1 3.97Å; L45-N144 HydrophobicContact CD1-CB 4.15Å; L45-T172 HydrophobicContact CD2-CG2 3.96Å; L45-A174 HydrophobicContact CD2-CB 3.86Å; L45-A174 HydrophobicContact CG-CB 4.04Å; L45-I183 HydrophobicContact CD2-CD1 3.99Å; L45-I183 HydrophobicContact CD2-CG1 4.12Å
46S95.4Very high94.4Very high0 Ų039.1 Ų39.10%023%0.231CC..Hα-helixtrans-64.8-39.7-179.663.90000111.7K42 T43 C50 R67 Y187K42-S46 PolarHBondContact O-N 3.16Å; K42-S46 PolarHBondContact O-OG 3.25Å; T43-S46 PolarHBondContact O-N 3.41Å; T43-S46 PolarHBondContact O-OG 2.81Å; T43-S46 VanDerWaalsContact O-OG 3.07Å; S46-C50 WeakPolarHBondContact O-CB 3.4Å; S46-C50 PolarHBondContact O-N 2.82Å; S46-C50 PolarHBondContact O-SG 2.97Å; S46-R67 PolarHBondContact OG-NH1 2.91Å; S46-Y187 WeakPolarHBondContact CA-OH 3.28Å; S46-Y187 PolarHBondContact N-OH 3.35Å
47F95Very high94.1Very high37 Ų3743.4 Ų43.416%0.16225%0.254CS..Hα-helixtrans-61.9-49.5174.1-174.1-79.1000111.3T43 L45 F49 C50 N51 K53 P55T43-F47 WeakPolarHBondContact O-CB 3.03Å; T43-F47 PolarHBondContact O-N 3.46Å; L45-F47 VanDerWaalsContact C-N 3.34Å; L45-F47 PolarHBondContact O-N 3.18Å; F47-F49 VanDerWaalsContact C-N 3.33Å; F47-F49 PolarHBondContact O-N 3.2Å; F47-C50 PolarHBondContact O-N 3.09Å; F47-C50 VanDerWaalsContact O-N 3.11Å; F47-N51 HydrophobicContact CD1-CB 4.07Å; F47-N51 HydrophobicContact CE1-CB 3.73Å; F47-N51 HydrophobicContact CZ-CB 4.09Å; F47-N51 WeakPolarHBondContact O-CB 3.07Å; F47-N51 PolarHBondContact O-N 3.03Å; F47-N51 PolarHBondContact O-OD1 3.16Å; F47-K53 VanDerWaalsContact CD1-O 3.32Å; F47-K53 WeakPolarHBondContact CD1-O 3.5Å; F47-K53 HydrophobicContact CE1-CG 4.16Å; F47-P55 HydrophobicContact CD1-CB 3.78Å; F47-P55 HydrophobicContact CD1-CG 4.2Å; F47-P55 HydrophobicContact CD2-CB 4.2Å; F47-P55 HydrophobicContact CE1-CB 3.89Å; F47-P55 HydrophobicContact CE2-CB 4.31Å; F47-P55 HydrophobicContact CG-CB 3.96Å; F47-P55 HydrophobicContact CG-CG 4.33Å; F47-P55 HydrophobicContact CZ-CB 4.16Å
48R96.4Very high93.9Very high4 Ų446.3 Ų46.32%0.01527%0.272CS..Hα-helixtrans-61.4-42.1-179.8175.8160.5-99.3-111.4-26.5111.5C44 L45 C50 G52 K53 A174 D176 E177 A180 I183C44-R48 VanDerWaalsContact O-CB 3.26Å; C44-R48 WeakPolarHBondContact O-CB 3.39Å; C44-R48 PolarHBondContact O-N 2.62Å; L45-R48 PolarHBondContact O-N 3.02Å; R48-C50 PolarHBondContact O-N 3.16Å; R48-G52 VanDerWaalsContact O-CA 3.25Å; R48-G52 WeakPolarHBondContact O-CA 3.26Å; R48-G52 PolarHBondContact O-N 2.72Å; R48-K53 WeakPolarHBondContact CA-O 3.18Å; R48-A174 WeakPolarHBondContact CD-O 3.46Å; R48-A174 PolarHBondContact NE-O 3.1Å; R48-A174 VanDerWaalsContact NE-O 3.11Å; R48-D176 PolarHBondContact NH1-O 3.04Å; R48-E177 IonicContact CZ-OE1 3.5Å; R48-E177 IonicContact CZ-OE2 3.65Å; R48-E177 IonicContact NH1-OE1 3.38Å; R48-E177 PolarHBondContact NH1-OE1 3.17Å; R48-E177 IonicContact NH1-OE2 3.9Å; R48-E177 IonicContact NH2-OE1 2.77Å; R48-E177 PolarHBondContact NH2-OE1 3.01Å; R48-E177 IonicContact NH2-OE2 2.65Å; R48-E177 PolarHBondContact NH2-OE2 3.11Å; R48-A180 VanDerWaalsContact NH1-CB 3.26Å; R48-I183 VanDerWaalsContact CD-CD1 3.49Å; R48-I183 HydrophobicContact CG-CD1 4.09Å; R48-I183 HydrophobicContact CG-CG2 4.38Å
49F96.5Very high93.6Very high3 Ų351.3 Ų51.31%0.01329%0.292CS..Hα-helixtrans-61.2-43.4173.3176.5-113.9000112.4L45 F47 K69 V71 F82 I183 Y187L45-F49 PolarHBondContact O-N 3.18Å; F47-F49 VanDerWaalsContact C-N 3.33Å; F47-F49 PolarHBondContact O-N 3.2Å; F49-K69 HydrophobicContact CD1-CD 4Å; F49-K69 HydrophobicContact CE1-CB 4.18Å; F49-K69 HydrophobicContact CE1-CD 3.56Å; F49-K69 HydrophobicContact CE1-CG 4.45Å; F49-K69 HydrophobicContact CE2-CD 4.3Å; F49-K69 HydrophobicContact CZ-CD 3.74Å; F49-K69 PolarHBondContact O-NZ 3.33Å; F49-V71 HydrophobicContact CZ-CG1 4.06Å; F49-F82 AromaticContact CD1-CE2 3.55Å; F49-F82 HydrophobicContact CD1-CE2 3.55Å; F49-F82 AromaticContact CD1-CZ 3.58Å; F49-F82 HydrophobicContact CD1-CZ 3.58Å; F49-F82 AromaticContact CE1-CE2 3.69Å; F49-F82 HydrophobicContact CE1-CE2 3.69Å; F49-F82 AromaticContact CE1-CZ 3.55Å; F49-F82 HydrophobicContact CE1-CZ 3.55Å; F49-I183 HydrophobicContact CB-CG2 4.22Å; F49-Y187 HydrophobicContact CB-CD1 4.37Å; F49-Y187 HydrophobicContact CB-CD2 3.55Å; F49-Y187 HydrophobicContact CB-CE1 4.48Å; F49-Y187 HydrophobicContact CB-CE2 3.69Å; F49-Y187 HydrophobicContact CB-CG 3.91Å; F49-Y187 AromaticContact CD1-CD1 3.74Å; F49-Y187 HydrophobicContact CD1-CD1 3.74Å; F49-Y187 HydrophobicContact CD1-CD2 4.27Å; F49-Y187 HydrophobicContact CD1-CE1 4.29Å; F49-Y187 AromaticContact CD1-CG 3.72Å; F49-Y187 HydrophobicContact CD1-CG 3.72Å; F49-Y187 AromaticContact CD2-CD2 3.86Å; F49-Y187 HydrophobicContact CD2-CD2 3.86Å; F49-Y187 AromaticContact CD2-CG 3.68Å; F49-Y187 HydrophobicContact CD2-CG 3.68Å; F49-Y187 HydrophobicContact CE1-CD1 4.13Å; F49-Y187 HydrophobicContact CE1-CG 4.13Å; F49-Y187 HydrophobicContact CE2-CG 4.1Å; F49-Y187 AromaticContact CG-CD1 3.95Å; F49-Y187 HydrophobicContact CG-CD1 3.95Å; F49-Y187 AromaticContact CG-CD2 3.62Å; F49-Y187 HydrophobicContact CG-CD2 3.62Å; F49-Y187 HydrophobicContact CG-CE1 4.49Å; F49-Y187 HydrophobicContact CG-CE2 4.21Å; F49-Y187 AromaticContact CG-CG 3.46Å; F49-Y187 HydrophobicContact CG-CG 3.46Å; F49-Y187 VanDerWaalsContact CG-CG 3.46Å; F49-Y187 HydrophobicContact CZ-CG 4.29Å
50C94.5Very high93.2Very high25 Ų2548.9 Ų48.917%0.16929%0.29CS..Hα-helixtrans-70.8-38.2-178.4-66.50000113.2S46 F47 R48S46-C50 WeakPolarHBondContact O-CB 3.4Å; S46-C50 PolarHBondContact O-N 2.82Å; S46-C50 PolarHBondContact O-SG 2.97Å; F47-C50 PolarHBondContact O-N 3.09Å; F47-C50 VanDerWaalsContact O-N 3.11Å; R48-C50 PolarHBondContact O-N 3.16Å
51N93.8Very high92.3Very high89 Ų8950.4 Ų50.448%0.47630%0.299SS..Hα-helixtrans-114.2-7.3-166.3-66.270.4000114.3F47 K53F47-N51 HydrophobicContact CD1-CB 4.07Å; F47-N51 HydrophobicContact CE1-CB 3.73Å; F47-N51 HydrophobicContact CZ-CB 4.09Å; F47-N51 WeakPolarHBondContact O-CB 3.07Å; F47-N51 PolarHBondContact O-N 3.03Å; F47-N51 PolarHBondContact O-OD1 3.16Å; N51-K53 HydrophobicContact CB-CG 4.49Å; N51-K53 PolarHBondContact O-N 2.78Å
52G93.5Very high91.2Very high53 Ų5354.6 Ų54.655%0.54632%0.317SS..SBendtrans71.311.8178.400000115.1R48R48-G52 VanDerWaalsContact O-CA 3.25Å; R48-G52 WeakPolarHBondContact O-CA 3.26Å; R48-G52 PolarHBondContact O-N 2.72Å
53K94.9Very high90.2Very high126 Ų12654.9 Ų54.955%0.54832%0.323SS..SBendtrans-148157.4-17965.2179.9-179.41770111.5F47 R48 N51F47-K53 VanDerWaalsContact CD1-O 3.32Å; F47-K53 WeakPolarHBondContact CD1-O 3.5Å; F47-K53 HydrophobicContact CE1-CG 4.16Å; R48-K53 WeakPolarHBondContact CA-O 3.18Å; N51-K53 HydrophobicContact CB-CG 4.49Å; N51-K53 PolarHBondContact O-N 2.78Å
54F95.9Very high89.5Confident65 Ų6554.2 Ų54.229%0.28532%0.319SS..  trans-65.7140.2169.1-169.2-109000110.6C44 T58 A174 K175C44-F54 HydrophobicContact CB-CD2 4.33Å; C44-F54 HydrophobicContact CB-CE2 3.76Å; F54-T58 HydrophobicContact CE1-CG2 3.78Å; F54-T58 HydrophobicContact CZ-CG2 3.69Å; F54-A174 HydrophobicContact CD2-CB 4.42Å; F54-A174 WeakPolarHBondContact CD2-O 3.16Å; F54-A174 HydrophobicContact CE2-CB 4.31Å; F54-K175 HydrophobicContact CD1-CG 4.49Å; F54-K175 HydrophobicContact CD2-CB 4.09Å; F54-K175 HydrophobicContact CD2-CG 4.48Å; F54-K175 HydrophobicContact CE1-CG 4.29Å; F54-K175 HydrophobicContact CE2-CB 3.81Å; F54-K175 HydrophobicContact CE2-CG 4.25Å; F54-K175 HydrophobicContact CZ-CB 4.15Å; F54-K175 HydrophobicContact CZ-CG 4.15Å
55P93.2Very high88.9Confident13 Ų1355.6 Ų55.68%0.08433%0.325CS..  trans-64143.6176.927.3-36.7000111.7C44 F47 N57 T58C44-P55 HydrophobicContact CB-CG 4.35Å; F47-P55 HydrophobicContact CD1-CB 3.78Å; F47-P55 HydrophobicContact CD1-CG 4.2Å; F47-P55 HydrophobicContact CD2-CB 4.2Å; F47-P55 HydrophobicContact CE1-CB 3.89Å; F47-P55 HydrophobicContact CE2-CB 4.31Å; F47-P55 HydrophobicContact CG-CB 3.96Å; F47-P55 HydrophobicContact CG-CG 4.33Å; F47-P55 HydrophobicContact CZ-CB 4.16Å; P55-N57 VanDerWaalsContact C-N 3.33Å; P55-T58 HydrophobicContact CG-CG2 4.07Å
56S91.9Very high88.4Confident137 Ų13756.9 Ų56.996%0.95833%0.33SS*.SBendtrans-74.8-23.4177.352.90000113.4
57N88.7Confident88.2Confident90 Ų9059.1 Ų59.148%0.48134%0.339SS..  trans-124.1135.6173.9-169.3-4.1000109P55 E59P55-N57 VanDerWaalsContact C-N 3.33Å; N57-E59 PolarHBondContact ND2-OE1 3.32Å; N57-E59 WeakPolarHBondContact OD1-CG 3.38Å; N57-E59 PolarHBondContact OD1-N 3.02Å; N57-E59 VanDerWaalsContact OD1-N 3.13Å
58T87.6Confident88.1Confident87 Ų8759.2 Ų59.253%0.53434%0.34SS..  trans-124.635-17861.50000111.5F54 P55F54-T58 HydrophobicContact CE1-CG2 3.78Å; F54-T58 HydrophobicContact CZ-CG2 3.69Å; P55-T58 HydrophobicContact CG-CG2 4.07Å
59E84.6Confident88Confident150 Ų15061.9 Ų61.970%0.70135%0.352SS*.PPolyproline II helixtrans-52.9152.1170.9-84.7165.6-151.800111.9N57 T61N57-E59 PolarHBondContact ND2-OE1 3.32Å; N57-E59 WeakPolarHBondContact OD1-CG 3.38Å; N57-E59 PolarHBondContact OD1-N 3.02Å; N57-E59 VanDerWaalsContact OD1-N 3.13Å; E59-T61 PolarHBondContact O-N 3.49Å
60A83.7Confident87.9Confident75 Ų7565.8 Ų65.862%0.6237%0.372SS*.PPolyproline II helixtrans-62.8130.7-178.800000110.7I62A60-I62 PolarHBondContact O-N 2.92Å
61T75.9Confident87.9Confident34 Ų3465.1 Ų65.121%0.20937%0.367CS..PPolyproline II helixtrans-63.3121.8175.1-43.60000110.1T43 E59 D65 A86T43-T61 PolarHBondContact OG1-OG1 3.34Å; E59-T61 PolarHBondContact O-N 3.49Å; T61-D65 HydrophobicContact CG2-CB 3.66Å; T61-A86 VanDerWaalsContact O-CB 3.23Å; T61-A86 WeakPolarHBondContact O-CB 3.41Å
62I73.1Confident87.9Confident100 Ų10067.4 Ų67.451%0.51337%0.374SS..PPolyproline II helixtrans-96.5127.3173.5-57.6176.3000107.6A60 V64 F91 Y222A60-I62 PolarHBondContact O-N 2.92Å; I62-V64 PolarHBondContact O-N 3.44Å; I62-F91 HydrophobicContact CG2-CE1 4.26Å; I62-F91 HydrophobicContact CG2-CZ 4.48Å; I62-Y222 HydrophobicContact CG2-CD1 4.31Å; I62-Y222 HydrophobicContact CG2-CD2 4.17Å; I62-Y222 HydrophobicContact CG2-CE2 4.42Å; I62-Y222 HydrophobicContact CG2-CG 4.11Å
63G73.8Confident87.8Confident14 Ų1466.3 Ų66.314%0.14436%0.356CS..SBendtrans68.7-124.1-179.800000112.9A86G63-A86 WeakPolarHBondContact O-CA 3.42Å; G63-A86 WeakPolarHBondContact O-CB 3.38Å; G63-A86 PolarHBondContact O-N 3.34Å
64V78Confident87.6Confident18 Ų1867.3 Ų67.311%0.10936%0.363CS..EExtended strand (participates in β ladder)trans-131.1126.7177.1173.70000109.8I62 W83 D84 T85 Y99I62-V64 PolarHBondContact O-N 3.44Å; V64-W83 HydrophobicContact CG1-CB 4.35Å; V64-W83 HydrophobicContact CG1-CE3 4.06Å; V64-D84 WeakPolarHBondContact CA-O 3.48Å; V64-D84 WeakPolarHBondContact CG1-O 3.26Å; V64-T85 HydrophobicContact CG2-CG2 4.07Å; V64-Y99 HydrophobicContact CB-CD1 4.43Å; V64-Y99 HydrophobicContact CB-CE1 3.65Å; V64-Y99 HydrophobicContact CB-CE2 4.18Å; V64-Y99 WeakPolarHBondContact CB-OH 3.46Å; V64-Y99 HydrophobicContact CG1-CD1 4.16Å; V64-Y99 HydrophobicContact CG1-CE1 3.77Å; V64-Y99 HydrophobicContact CG2-CD1 4.16Å; V64-Y99 HydrophobicContact CG2-CD2 3.87Å; V64-Y99 HydrophobicContact CG2-CE1 3.56Å; V64-Y99 HydrophobicContact CG2-CE2 3.19Å; V64-Y99 HydrophobicContact CG2-CG 4.31Å; V64-Y99 WeakPolarHBondContact CG2-OH 3.48Å
65D83.9Confident87.3Confident45 Ų4567.4 Ų67.424%0.24138%0.382CS..EExtended strand (participates in β ladder)trans-93.2137.4178.1-175.925.6000109.7T61 R67 D84T61-D65 HydrophobicContact CG2-CB 3.66Å; D65-R67 IonicContact OD1-NH2 2.7Å; D65-R67 IonicContact OD2-CZ 2.65Å; D65-R67 IonicContact OD2-NH1 3.94Å; D65-R67 PolarHBondContact OD2-NH1 3.33Å; D65-R67 IonicContact OD2-NH2 2.63Å; D65-R67 PolarHBondContact OD2-NH2 3.08Å; D65-D84 HydrophobicContact CB-CB 4.27Å; D65-D84 PolarHBondContact N-O 3.09Å; D65-D84 PolarHBondContact O-N 3.37Å
66F86.6Confident87.1Confident30 Ų3069.1 Ų69.113%0.13239%0.389CS..EExtended strand (participates in β ladder)trans-117.6121.8-175.3173.9-94.3000110E68 Q81 F82 W83 L211 K212 L215F66-E68 HydrophobicContact CE1-CB 4.33Å; F66-E68 HydrophobicContact CE1-CG 4.37Å; F66-E68 HydrophobicContact CZ-CB 4.24Å; F66-Q81 HydrophobicContact CE2-CB 3.8Å; F66-Q81 HydrophobicContact CE2-CG 3.84Å; F66-Q81 HydrophobicContact CZ-CB 4.29Å; F66-Q81 HydrophobicContact CZ-CG 3.88Å; F66-F82 WeakPolarHBondContact CA-O 3.38Å; F66-W83 HydrophobicContact CD2-CD2 4.28Å; F66-W83 AromaticContact CD2-NE1 3.92Å; F66-W83 AromaticContact CE2-NE1 3.82Å; F66-L211 HydrophobicContact CD2-CD2 4.05Å; F66-L211 HydrophobicContact CE2-CD2 3.67Å; F66-L211 HydrophobicContact CZ-CD2 4.14Å; F66-K212 HydrophobicContact CE1-CG 4.41Å; F66-L215 HydrophobicContact CB-CD1 3.3Å; F66-L215 HydrophobicContact CD1-CD1 4.33Å; F66-L215 HydrophobicContact CD2-CD1 4.24Å; F66-L215 HydrophobicContact CG-CD1 3.73Å
67R90.9Very high87.2Confident47 Ų4764.7 Ų64.718%0.17735%0.354CS..EExtended strand (participates in β ladder)trans-124.7151.4170.6-66-169.8177.87719.2110.2T43 S46 D65 Q81 F82T43-R67 VanDerWaalsContact CG2-NH1 3.33Å; S46-R67 PolarHBondContact OG-NH1 2.91Å; D65-R67 IonicContact OD1-NH2 2.7Å; D65-R67 IonicContact OD2-CZ 2.65Å; D65-R67 IonicContact OD2-NH1 3.94Å; D65-R67 PolarHBondContact OD2-NH1 3.33Å; D65-R67 IonicContact OD2-NH2 2.63Å; D65-R67 PolarHBondContact OD2-NH2 3.08Å; R67-Q81 CarbonylContact O-C 3.52Å; R67-Q81 WeakPolarHBondContact O-CA 3.19Å; R67-F82 PolarHBondContact N-O 3.24Å; R67-F82 PolarHBondContact O-N 3.13Å
68E93.4Very high87.4Confident39 Ų3960.4 Ų60.418%0.18233%0.331CS..EExtended strand (participates in β ladder)trans-135.9143.4172.266.2-176.8164.200110.6F66 R79 V80 Q81 R208 K212F66-E68 HydrophobicContact CE1-CB 4.33Å; F66-E68 HydrophobicContact CE1-CG 4.37Å; F66-E68 HydrophobicContact CZ-CB 4.24Å; E68-R79 IonicContact OE1-NH1 3.75Å; E68-R79 WeakPolarHBondContact OE2-CD 3.29Å; E68-R79 IonicContact OE2-CZ 2.91Å; E68-R79 IonicContact OE2-NE 2.94Å; E68-R79 IonicContact OE2-NH1 3.42Å; E68-R79 PolarHBondContact OE2-NH1 3.31Å; E68-V80 CarbonylContact C-O 3.55Å; E68-V80 WeakPolarHBondContact CA-O 3.46Å; E68-Q81 HydrophobicContact CB-CG 4.27Å; E68-R208 IonicContact OE1-CZ 3.16Å; E68-R208 VanDerWaalsContact OE1-CZ 3.23Å; E68-R208 IonicContact OE1-NE 3.76Å; E68-R208 PolarHBondContact OE1-NE 2.78Å; E68-R208 IonicContact OE1-NH2 3.56Å; E68-R208 PolarHBondContact OE1-NH2 2.62Å; E68-R208 IonicContact OE2-CZ 2.72Å; E68-R208 IonicContact OE2-NE 3.87Å; E68-R208 PolarHBondContact OE2-NE 3.42Å; E68-R208 VanDerWaalsContact OE2-NE 3.09Å; E68-R208 IonicContact OE2-NH2 2.61Å; E68-K212 VanDerWaalsContact OE1-CE 3.31Å; E68-K212 WeakPolarHBondContact OE1-CE 3.49Å; E68-K212 IonicContact OE1-NZ 3.98Å; E68-K212 PolarHBondContact OE1-NZ 2.8Å
69K94.4Very high87.7Confident60 Ų6057.5 Ų57.526%0.26131%0.31SS..EExtended strand (participates in β ladder)trans-128.7134.8171.3-163.4-179.5-167.7173.30109F49 V71 V80F49-K69 HydrophobicContact CD1-CD 4Å; F49-K69 HydrophobicContact CE1-CB 4.18Å; F49-K69 HydrophobicContact CE1-CD 3.56Å; F49-K69 HydrophobicContact CE1-CG 4.45Å; F49-K69 HydrophobicContact CE2-CD 4.3Å; F49-K69 HydrophobicContact CZ-CD 3.74Å; F49-K69 PolarHBondContact O-NZ 3.33Å; K69-V71 HydrophobicContact CD-CG1 4Å; K69-V71 HydrophobicContact CG-CG1 4.11Å; K69-V80 PolarHBondContact N-O 3.17Å; K69-V80 PolarHBondContact O-N 3.18Å
70I94.4Very high88.2Confident85 Ų8550.4 Ų50.444%0.43628%0.277SS..EExtended strand (participates in β ladder)trans-91.1127.3166.2-58.9175000106.8L77 L78I70-L77 HydrophobicContact CG2-CB 4.18Å; I70-L77 HydrophobicContact CG2-CD2 4.27Å; I70-L78 CarbonylContact C-O 3.54Å; I70-L78 WeakPolarHBondContact CA-O 3.49Å
71V94.2Very high88.7Confident10 Ų1047.2 Ų47.26%0.06125%0.249CC..EExtended strand (participates in β ladder)trans-122.3142.8178.9-62.40000109.1F49 K69 L77 L78 V80 M188 V191F49-V71 HydrophobicContact CZ-CG1 4.06Å; K69-V71 HydrophobicContact CD-CG1 4Å; K69-V71 HydrophobicContact CG-CG1 4.11Å; V71-L77 WeakPolarHBondContact O-CA 3.4Å; V71-L78 HydrophobicContact CG2-CB 3.96Å; V71-L78 PolarHBondContact N-O 3.19Å; V71-L78 PolarHBondContact O-N 3.37Å; V71-V80 HydrophobicContact CG2-CG2 3.96Å; V71-M188 HydrophobicContact CB-SD 4.42Å; V71-M188 HydrophobicContact CG1-SD 4.32Å; V71-V191 HydrophobicContact CG2-CG1 3.64Å; V71-V191 HydrophobicContact CG2-CG2 4.15Å
72E93.3Very high89.5Confident137 Ų13745.7 Ų45.764%0.6424%0.24SC*.EExtended strand (participates in β ladder)trans-98.1124.1171.4-169.2175.5170.200108.8E76 L77E72-E76 WeakPolarHBondContact CA-O 3.49Å; E72-L77 HydrophobicContact CB-CD2 3.74Å; E72-L77 HydrophobicContact CG-CD2 3.96Å
73L91.8Very high90.4Very high30 Ų3041.9 Ų41.916%0.15722%0.219CC..EExtended strand (participates in β ladder)trans-138.3124.2176.3-172.663000109.2G75 E76 L78 M188 V191 H192 Q195L73-G75 PolarHBondContact O-N 3.46Å; L73-E76 PolarHBondContact N-O 2.61Å; L73-E76 PolarHBondContact O-N 3.26Å; L73-L78 HydrophobicContact CB-CD1 4.18Å; L73-M188 HydrophobicContact CD1-CE 4.06Å; L73-V191 HydrophobicContact CD2-CG1 3.84Å; L73-H192 HydrophobicContact CD2-CB 4.07Å; L73-Q195 HydrophobicContact CD2-CB 4.31Å; L73-Q195 VanDerWaalsContact CG-OE1 3.26Å; L73-Q195 PolarHBondContact O-NE2 2.99Å
74E90.3Very high90.9Very high148 Ų14841.3 Ų41.369%0.69221%0.212SC*.THydrogen-bonded Turntrans53.937.4-179.5-59.2-179.1173.300113.3E76 H192E74-E76 VanDerWaalsContact C-N 3.28Å; E74-E76 PolarHBondContact O-N 2.98Å; E74-H192 IonicContact OE1-CE1 3.34Å
75G89.1Confident90.8Very high66 Ų6640.5 Ų40.568%0.6821%0.208SC*.THydrogen-bonded Turntrans77.76-179.900000114.9L73L73-G75 PolarHBondContact O-N 3.46Å
76E90.6Very high90.2Very high50 Ų5038.5 Ų38.523%0.23420%0.198CC..EExtended strand (participates in β ladder)trans-109.5134.4176.1-172-178.7178.300111.6R28 E72 L73 E74 L78 Q195R28-E76 IonicContact CZ-OE1 2.65Å; R28-E76 IonicContact CZ-OE2 3.44Å; R28-E76 IonicContact NE-OE1 3Å; R28-E76 PolarHBondContact NE-OE1 3.22Å; R28-E76 IonicContact NE-OE2 3.58Å; R28-E76 IonicContact NH2-OE1 3.73Å; R28-E76 PolarHBondContact NH2-OE1 3.41Å; R28-E76 VanDerWaalsContact NH2-OE1 3.16Å; R28-E76 IonicContact NH2-OE2 2.62Å; R28-E76 PolarHBondContact NH2-OE2 3.26Å; E72-E76 WeakPolarHBondContact CA-O 3.49Å; L73-E76 PolarHBondContact N-O 2.61Å; L73-E76 PolarHBondContact O-N 3.26Å; E74-E76 VanDerWaalsContact C-N 3.28Å; E74-E76 PolarHBondContact O-N 2.98Å; E76-L78 HydrophobicContact CB-CD2 4.49Å; E76-L78 VanDerWaalsContact CD-CD2 3.42Å; E76-L78 HydrophobicContact CG-CD2 3.77Å; E76-L78 HydrophobicContact CG-CG 4.42Å; E76-L78 WeakPolarHBondContact OE1-CD2 3.49Å; E76-Q195 PolarHBondContact OE2-NE2 3.44Å
77L92.7Very high88.9Confident43 Ų4337.6 Ų37.623%0.22520%0.196CC..EExtended strand (participates in β ladder)trans-84.4118.1169.9-62.9-179.1000110.6P24 C26 I70 V71 E72P24-L77 HydrophobicContact CB-CD1 3.16Å; P24-L77 HydrophobicContact CB-CG 4.48Å; P24-L77 HydrophobicContact CG-CD1 4.28Å; C26-L77 HydrophobicContact CB-CB 4.46Å; C26-L77 PolarHBondContact SG-O 2.95Å; I70-L77 HydrophobicContact CG2-CB 4.18Å; I70-L77 HydrophobicContact CG2-CD2 4.27Å; V71-L77 WeakPolarHBondContact O-CA 3.4Å; E72-L77 HydrophobicContact CB-CD2 3.74Å; E72-L77 HydrophobicContact CG-CD2 3.96Å
78L93Very high87.5Confident0 Ų039.2 Ų39.20%021%0.206CC..EExtended strand (participates in β ladder)trans-112.1135.6178.8-54.5174.8000109.3C26 R28 F30 I70 V71 L73 E76 V191 Q195C26-L78 VanDerWaalsContact SG-C 3.51Å; R28-L78 HydrophobicContact CB-CD2 4.11Å; F30-L78 HydrophobicContact CE2-CB 4.31Å; F30-L78 HydrophobicContact CE2-CD1 4.21Å; F30-L78 HydrophobicContact CE2-CD2 3.97Å; F30-L78 HydrophobicContact CE2-CG 4.39Å; I70-L78 CarbonylContact C-O 3.54Å; I70-L78 WeakPolarHBondContact CA-O 3.49Å; V71-L78 HydrophobicContact CG2-CB 3.96Å; V71-L78 PolarHBondContact N-O 3.19Å; V71-L78 PolarHBondContact O-N 3.37Å; L73-L78 HydrophobicContact CB-CD1 4.18Å; E76-L78 HydrophobicContact CB-CD2 4.49Å; E76-L78 VanDerWaalsContact CD-CD2 3.42Å; E76-L78 HydrophobicContact CG-CD2 3.77Å; E76-L78 HydrophobicContact CG-CG 4.42Å; E76-L78 WeakPolarHBondContact OE1-CD2 3.49Å; L78-V191 HydrophobicContact CD1-CG1 3.71Å; L78-Q195 HydrophobicContact CD1-CB 3.99Å; L78-Q195 HydrophobicContact CD1-CG 3.93Å
79R93.9Very high85.7Confident26 Ų2642.5 Ų42.510%0.09822%0.221CC..EExtended strand (participates in β ladder)trans-100.5121.8175.4179.2-176-59.3-76.7-6.4107.5C26 R28 T29 F30 E68 Q81C26-R79 HydrophobicContact CB-CB 4.44Å; C26-R79 WeakPolarHBondContact SG-CB 3.46Å; C26-R79 PolarHBondContact SG-N 3.29Å; R28-R79 PolarHBondContact O-N 2.9Å; T29-R79 CarbonylContact C-O 3.58Å; T29-R79 VanDerWaalsContact CA-O 3.31Å; T29-R79 WeakPolarHBondContact CA-O 3.13Å; T29-R79 HydrophobicContact CG2-CB 4.34Å; T29-R79 HydrophobicContact CG2-CG 4.12Å; F30-R79 PolarHBondContact N-O 3.23Å; E68-R79 IonicContact OE1-NH1 3.75Å; E68-R79 WeakPolarHBondContact OE2-CD 3.29Å; E68-R79 IonicContact OE2-CZ 2.91Å; E68-R79 IonicContact OE2-NE 2.94Å; E68-R79 IonicContact OE2-NH1 3.42Å; E68-R79 PolarHBondContact OE2-NH1 3.31Å; R79-Q81 HydrophobicContact CG-CG 4.46Å
80V94.9Very high84.1Confident1 Ų147.6 Ų47.61%0.00624%0.239CC..EExtended strand (participates in β ladder)trans-111.5123.5177.6-166.20000107.7V32 E68 K69 V71 F82 V191V32-V80 HydrophobicContact CG2-CG1 3.7Å; E68-V80 CarbonylContact C-O 3.55Å; E68-V80 WeakPolarHBondContact CA-O 3.46Å; K69-V80 PolarHBondContact N-O 3.17Å; K69-V80 PolarHBondContact O-N 3.18Å; V71-V80 HydrophobicContact CG2-CG2 3.96Å; V80-F82 HydrophobicContact CB-CE2 4.22Å; V80-F82 HydrophobicContact CB-CZ 4.05Å; V80-F82 HydrophobicContact CG1-CE1 3.7Å; V80-F82 HydrophobicContact CG1-CE2 3.97Å; V80-F82 HydrophobicContact CG1-CZ 3.4Å; V80-V191 HydrophobicContact CG2-CG2 3.68Å
81Q94.1Very high82.3Confident9 Ų945 Ų454%0.04222%0.224CC..EExtended strand (participates in β ladder)trans-107.2122178.7-65.3179.7-20.600108.9T29 F30 V32 F66 R67 E68 R79T29-Q81 VanDerWaalsContact CG2-CD 3.42Å; T29-Q81 HydrophobicContact CG2-CG 3.82Å; F30-Q81 PolarHBondContact O-N 2.88Å; V32-Q81 PolarHBondContact N-O 3.37Å; F66-Q81 HydrophobicContact CE2-CB 3.8Å; F66-Q81 HydrophobicContact CE2-CG 3.84Å; F66-Q81 HydrophobicContact CZ-CB 4.29Å; F66-Q81 HydrophobicContact CZ-CG 3.88Å; R67-Q81 CarbonylContact O-C 3.52Å; R67-Q81 WeakPolarHBondContact O-CA 3.19Å; E68-Q81 HydrophobicContact CB-CG 4.27Å; R79-Q81 HydrophobicContact CG-CG 4.46Å
82F93.3Very high80.6Confident2 Ų245.3 Ų45.31%0.00923%0.225CC..EExtended strand (participates in β ladder)trans-100.3119.1175.1-57.2-72.5000109V32 F49 F66 R67 V80 Y187V32-F82 HydrophobicContact CB-CD1 3.88Å; V32-F82 HydrophobicContact CB-CE1 4.09Å; V32-F82 HydrophobicContact CG1-CD1 4.07Å; V32-F82 HydrophobicContact CG1-CE1 4.22Å; V32-F82 HydrophobicContact CG2-CD1 4.46Å; V32-F82 HydrophobicContact CG2-CE1 4.21Å; V32-F82 WeakPolarHBondContact O-CA 3.49Å; F49-F82 AromaticContact CD1-CE2 3.55Å; F49-F82 HydrophobicContact CD1-CE2 3.55Å; F49-F82 AromaticContact CD1-CZ 3.58Å; F49-F82 HydrophobicContact CD1-CZ 3.58Å; F49-F82 AromaticContact CE1-CE2 3.69Å; F49-F82 HydrophobicContact CE1-CE2 3.69Å; F49-F82 AromaticContact CE1-CZ 3.55Å; F49-F82 HydrophobicContact CE1-CZ 3.55Å; F66-F82 WeakPolarHBondContact CA-O 3.38Å; R67-F82 PolarHBondContact N-O 3.24Å; R67-F82 PolarHBondContact O-N 3.13Å; V80-F82 HydrophobicContact CB-CE2 4.22Å; V80-F82 HydrophobicContact CB-CZ 4.05Å; V80-F82 HydrophobicContact CG1-CE1 3.7Å; V80-F82 HydrophobicContact CG1-CE2 3.97Å; V80-F82 HydrophobicContact CG1-CZ 3.4Å; F82-Y187 HydrophobicContact CD1-CD1 4.38Å; F82-Y187 AromaticContact CD1-CE1 3.8Å; F82-Y187 HydrophobicContact CD1-CE1 3.8Å; F82-Y187 AromaticContact CE1-CD1 3.4Å; F82-Y187 HydrophobicContact CE1-CD1 3.4Å; F82-Y187 AromaticContact CE1-CE1 3.24Å; F82-Y187 HydrophobicContact CE1-CE1 3.24Å; F82-Y187 AromaticContact CZ-CD1 3.47Å; F82-Y187 HydrophobicContact CZ-CD1 3.47Å; F82-Y187 VanDerWaalsContact CZ-CD1 3.47Å; F82-Y187 AromaticContact CZ-CE1 3.65Å; F82-Y187 HydrophobicContact CZ-CE1 3.65Å
83W91.4Very high79Confident20 Ų2046.9 Ų46.98%0.07623%0.232CC..EExtended strand (participates in β ladder)trans-10390.7174.3-67.668.7000107.1K31 V32 I33 V34 V64 F66 T85 Y99 L211K31-W83 HydrophobicContact CD-CD2 4.5Å; K31-W83 HydrophobicContact CD-CZ2 4.09Å; K31-W83 HydrophobicContact CG-CG 4.35Å; V32-W83 PolarHBondContact O-N 3.1Å; I33-W83 HydrophobicContact CG2-CB 4.41Å; V34-W83 PolarHBondContact N-O 3.05Å; V64-W83 HydrophobicContact CG1-CB 4.35Å; V64-W83 HydrophobicContact CG1-CE3 4.06Å; F66-W83 HydrophobicContact CD2-CD2 4.28Å; F66-W83 AromaticContact CD2-NE1 3.92Å; F66-W83 AromaticContact CE2-NE1 3.82Å; W83-T85 PolarHBondContact O-N 2.85Å; W83-Y99 AromaticContact CE3-CD1 3.52Å; W83-Y99 HydrophobicContact CE3-CD1 3.52Å; W83-Y99 AromaticContact CE3-CE1 3.86Å; W83-Y99 HydrophobicContact CE3-CE1 3.86Å; W83-Y99 AromaticContact CZ3-CD1 3.61Å; W83-Y99 HydrophobicContact CZ3-CD1 3.61Å; W83-Y99 AromaticContact CZ3-CE1 3.77Å; W83-Y99 HydrophobicContact CZ3-CE1 3.77Å; W83-L211 HydrophobicContact CH2-CD1 3.25Å; W83-L211 HydrophobicContact CH2-CD2 3.64Å; W83-L211 HydrophobicContact CH2-CG 4Å; W83-L211 HydrophobicContact CZ2-CD1 3.87Å; W83-L211 HydrophobicContact CZ2-CD2 3.3Å; W83-L211 HydrophobicContact CZ2-CG 4.18Å; W83-L211 HydrophobicContact CZ3-CD1 4.03Å
84D84.9Confident77.4Confident1 Ų150.1 Ų50.11%0.00526%0.257CS..EExtended strand (participates in β ladder)trans-82.6110-179.5174.230.8000109.4K42 T43 V64 D65K42-D84 WeakPolarHBondContact CB-OD1 3.21Å; T43-D84 WeakPolarHBondContact CA-OD2 3.43Å; T43-D84 WeakPolarHBondContact CB-OD2 3.14Å; T43-D84 WeakPolarHBondContact CG2-OD2 3.38Å; T43-D84 PolarHBondContact N-OD2 3.28Å; T43-D84 PolarHBondContact OG1-OD2 3.12Å; V64-D84 WeakPolarHBondContact CA-O 3.48Å; V64-D84 WeakPolarHBondContact CG1-O 3.26Å; D65-D84 HydrophobicContact CB-CB 4.27Å; D65-D84 PolarHBondContact N-O 3.09Å; D65-D84 PolarHBondContact O-N 3.37Å
85T76.2Confident75.9Confident2 Ų244.6 Ų44.61%0.01223%0.232CC..EExtended strand (participates in β ladder)trans-83.8136.4-17664.40000111.7V34 L35 K42 V64 W83 G87 R92V34-T85 PolarHBondContact O-N 3.03Å; V34-T85 PolarHBondContact O-OG1 3.42Å; V34-T85 VanDerWaalsContact O-OG1 3.05Å; L35-T85 HydrophobicContact CD2-CG2 4.12Å; L35-T85 WeakPolarHBondContact CD2-OG1 3.38Å; K42-T85 WeakPolarHBondContact CE-O 3.5Å; K42-T85 PolarHBondContact NZ-O 2.92Å; V64-T85 HydrophobicContact CG2-CG2 4.07Å; W83-T85 PolarHBondContact O-N 2.85Å; T85-G87 PolarHBondContact O-N 2.93Å; T85-R92 PolarHBondContact OG1-NH1 3.18Å; T85-R92 VanDerWaalsContact OG1-NH1 3.11Å
86A71.5Confident74.9Confident3 Ų342.4 Ų42.43%0.02521%0.205CC..  trans-56.4131.7164.800000108.4T61 G63 Q88T61-A86 VanDerWaalsContact O-CB 3.23Å; T61-A86 WeakPolarHBondContact O-CB 3.41Å; G63-A86 WeakPolarHBondContact O-CA 3.42Å; G63-A86 WeakPolarHBondContact O-CB 3.38Å; G63-A86 PolarHBondContact O-N 3.34Å; A86-Q88 PolarHBondContact O-N 3.45Å
87G59.1Low73.9Confident10 Ų1043.5 Ų43.510%0.10322%0.218CC..SBendtrans-72.2-13.3177.400000113P38 T85 E89P38-G87 WeakPolarHBondContact CD-O 3.43Å; P38-G87 VanDerWaalsContact CG-C 3.46Å; T85-G87 PolarHBondContact O-N 2.93Å; G87-E89 PolarHBondContact O-N 3.4Å
88Q62Low73.2Confident82 Ų8247.9 Ų47.938%0.38324%0.237SC..  trans-77.7114.4-176.4-76.8-81.6-1.800109.8P38 A86 R90 F91P38-Q88 HydrophobicContact CG-CG 4.24Å; A86-Q88 PolarHBondContact O-N 3.45Å; Q88-R90 VanDerWaalsContact C-N 3.27Å; Q88-R90 PolarHBondContact O-N 3.5Å; Q88-F91 HydrophobicContact CB-CD2 3.56Å; Q88-F91 HydrophobicContact CB-CE2 3.91Å; Q88-F91 HydrophobicContact CG-CE2 4.45Å; Q88-F91 PolarHBondContact O-N 2.94Å; Q88-F91 VanDerWaalsContact O-N 3.12Å
89E55.3Low72.6Confident108 Ų10848.4 Ų48.451%0.50524%0.239SC..Hα-helixtrans-54-37.2-173.569.2-58.3136.600113.8G87 F91 R92 Q93G87-E89 PolarHBondContact O-N 3.4Å; E89-F91 PolarHBondContact O-N 2.91Å; E89-R92 WeakPolarHBondContact O-CB 3.49Å; E89-R92 PolarHBondContact O-N 3.2Å; E89-Q93 PolarHBondContact O-N 3.33Å
90R59.5Low72.2Confident166 Ų16647.6 Ų47.663%0.62624%0.236SC*.Hα-helixtrans-62.8-27.8-179.371.8-174.1-151-172.67.5114Q88Q88-R90 VanDerWaalsContact C-N 3.27Å; Q88-R90 PolarHBondContact O-N 3.5Å
91F56.5Low71.7Confident30 Ų3056 Ų5613%0.13227%0.268CS..Hα-helixtrans-88.2-16.4176.3-56.1-75.3000112.3I62 Q88 E89 Y222I62-F91 HydrophobicContact CG2-CE1 4.26Å; I62-F91 HydrophobicContact CG2-CZ 4.48Å; Q88-F91 HydrophobicContact CB-CD2 3.56Å; Q88-F91 HydrophobicContact CB-CE2 3.91Å; Q88-F91 HydrophobicContact CG-CE2 4.45Å; Q88-F91 PolarHBondContact O-N 2.94Å; Q88-F91 VanDerWaalsContact O-N 3.12Å; E89-F91 PolarHBondContact O-N 2.91Å; F91-Y222 HydrophobicContact CE1-CE1 4.04Å; F91-Y222 AromaticContact CE1-CZ 3.74Å; F91-Y222 WeakPolarHBondContact CE1-OH 3.4Å
92R58.4Low71.4Confident18 Ų1859.5 Ų59.57%0.06829%0.287CS..Hα-helixtrans-73-44.2179.3-64.7-176.970.873-3.6111.6T85 E89 S94 M95 V96 Y100 E127T85-R92 PolarHBondContact OG1-NH1 3.18Å; T85-R92 VanDerWaalsContact OG1-NH1 3.11Å; E89-R92 WeakPolarHBondContact O-CB 3.49Å; E89-R92 PolarHBondContact O-N 3.2Å; R92-S94 VanDerWaalsContact C-N 3.29Å; R92-S94 PolarHBondContact O-N 3.21Å; R92-S94 VanDerWaalsContact O-N 3.08Å; R92-M95 PolarHBondContact O-N 2.99Å; R92-V96 HydrophobicContact CB-CG2 3.59Å; R92-V96 HydrophobicContact CG-CG2 4.47Å; R92-V96 WeakPolarHBondContact O-CB 3.46Å; R92-V96 WeakPolarHBondContact O-CG2 3.32Å; R92-V96 PolarHBondContact O-N 3.08Å; R92-Y100 PolarHBondContact NH2-OH 3.35Å; R92-Y100 VanDerWaalsContact NH2-OH 3.08Å; R92-E127 IonicContact CZ-OE1 3.55Å; R92-E127 IonicContact CZ-OE2 2.85Å; R92-E127 IonicContact NE-OE1 3.74Å; R92-E127 IonicContact NE-OE2 2.8Å; R92-E127 PolarHBondContact NE-OE2 3.25Å; R92-E127 VanDerWaalsContact NE-OE2 3.07Å; R92-E127 IonicContact NH2-OE1 3.23Å; R92-E127 PolarHBondContact NH2-OE1 3.38Å; R92-E127 IonicContact NH2-OE2 3.78Å; R92-E127 PolarHBondContact NH2-OE2 3.41Å
93Q60.6Low71.3Confident169 Ų16960.1 Ų60.179%0.7929%0.291SS*.THydrogen-bonded Turntrans-54.1-37.6-166.1-69.4-179-600115E89E89-Q93 PolarHBondContact O-N 3.33Å
94S57.1Low71.5Confident98 Ų9859.7 Ų59.769%0.68529%0.289SS*.THydrogen-bonded Turntrans-83.8-15.5-177.251.10000114.6R92R92-S94 VanDerWaalsContact C-N 3.29Å; R92-S94 PolarHBondContact O-N 3.21Å; R92-S94 VanDerWaalsContact O-N 3.08Å
95M60Low72Confident33 Ų3359.6 Ų59.616%0.16329%0.289CS..THydrogen-bonded Turntrans-126.6-16.7-165-55.4-179.684.900114.3R92 S97 H98 Y99 Q218R92-M95 PolarHBondContact O-N 2.99Å; M95-S97 VanDerWaalsContact C-N 3.34Å; M95-S97 PolarHBondContact O-N 3.45Å; M95-H98 PolarHBondContact O-N 3.44Å; M95-H98 VanDerWaalsContact O-N 3.16Å; M95-Y99 HydrophobicContact CB-CD2 4.17Å; M95-Y99 HydrophobicContact CB-CE2 3.22Å; M95-Y99 WeakPolarHBondContact CB-OH 3.43Å; M95-Y99 WeakPolarHBondContact CE-OH 3.3Å; M95-Y99 HydrophobicContact CG-CE2 4.42Å; M95-Y99 VanDerWaalsContact O-CD2 3.3Å; M95-Y99 WeakPolarHBondContact O-CD2 3.36Å; M95-Y99 WeakPolarHBondContact O-CE2 3.46Å; M95-Y99 HydrophobicContact SD-CE2 4.5Å; M95-Y99 PolarHBondContact SD-OH 3.11Å; M95-Q218 HydrophobicContact CE-CG 4.32Å
96V67Low73Confident19 Ų1959.5 Ų59.512%0.11529%0.289CS..Hα-helixtrans-46-49.4-173.91510000113.5R92 H98 Y99 Y100 E127 H131R92-V96 HydrophobicContact CB-CG2 3.59Å; R92-V96 HydrophobicContact CG-CG2 4.47Å; R92-V96 WeakPolarHBondContact O-CB 3.46Å; R92-V96 WeakPolarHBondContact O-CG2 3.32Å; R92-V96 PolarHBondContact O-N 3.08Å; V96-H98 VanDerWaalsContact C-N 3.27Å; V96-H98 PolarHBondContact O-N 3Å; V96-H98 VanDerWaalsContact O-N 3.16Å; V96-Y99 PolarHBondContact O-N 3.05Å; V96-Y100 HydrophobicContact CG1-CD2 3.87Å; V96-Y100 HydrophobicContact CG1-CE2 3.82Å; V96-Y100 WeakPolarHBondContact O-CD2 3.36Å; V96-Y100 PolarHBondContact O-N 3.02Å; V96-E127 WeakPolarHBondContact CG1-OE1 3.43Å; V96-E127 WeakPolarHBondContact CG2-OE1 3.34Å; V96-H131 WeakPolarHBondContact CG1-NE2 3.28Å
97S70.5Confident74.2Confident73 Ų7359.4 Ų59.451%0.5129%0.288SS..Hα-helixtrans-59.1-35.2-17462.50000113.9M95M95-S97 VanDerWaalsContact C-N 3.34Å; M95-S97 PolarHBondContact O-N 3.45Å
98H77.3Confident76Confident135 Ų13559 Ų5963%0.62528%0.283SS*.Hα-helixtrans-73.4-31.4178.8-70.7-77.6000112.4K31 M95 V96 R101K31-H98 PolarHBondContact NZ-O 3.18Å; M95-H98 PolarHBondContact O-N 3.44Å; M95-H98 VanDerWaalsContact O-N 3.16Å; V96-H98 VanDerWaalsContact C-N 3.27Å; V96-H98 PolarHBondContact O-N 3Å; V96-H98 VanDerWaalsContact O-N 3.16Å; H98-R101 PolarHBondContact O-N 2.97Å
99Y80.1Confident77.7Confident12 Ų1255.1 Ų55.15%0.04727%0.265CS..Hα-helixtrans-69.5-36.4178.7-58.7-47.6000112.6K31 V64 W83 M95 V96 R101 V103K31-Y99 WeakPolarHBondContact CE-O 3.34Å; K31-Y99 PolarHBondContact NZ-O 3.2Å; V64-Y99 HydrophobicContact CB-CD1 4.43Å; V64-Y99 HydrophobicContact CB-CE1 3.65Å; V64-Y99 HydrophobicContact CB-CE2 4.18Å; V64-Y99 WeakPolarHBondContact CB-OH 3.46Å; V64-Y99 HydrophobicContact CG1-CD1 4.16Å; V64-Y99 HydrophobicContact CG1-CE1 3.77Å; V64-Y99 HydrophobicContact CG2-CD1 4.16Å; V64-Y99 HydrophobicContact CG2-CD2 3.87Å; V64-Y99 HydrophobicContact CG2-CE1 3.56Å; V64-Y99 HydrophobicContact CG2-CE2 3.19Å; V64-Y99 HydrophobicContact CG2-CG 4.31Å; V64-Y99 WeakPolarHBondContact CG2-OH 3.48Å; W83-Y99 AromaticContact CE3-CD1 3.52Å; W83-Y99 HydrophobicContact CE3-CD1 3.52Å; W83-Y99 AromaticContact CE3-CE1 3.86Å; W83-Y99 HydrophobicContact CE3-CE1 3.86Å; W83-Y99 AromaticContact CZ3-CD1 3.61Å; W83-Y99 HydrophobicContact CZ3-CD1 3.61Å; W83-Y99 AromaticContact CZ3-CE1 3.77Å; W83-Y99 HydrophobicContact CZ3-CE1 3.77Å; M95-Y99 HydrophobicContact CB-CD2 4.17Å; M95-Y99 HydrophobicContact CB-CE2 3.22Å; M95-Y99 WeakPolarHBondContact CB-OH 3.43Å; M95-Y99 WeakPolarHBondContact CE-OH 3.3Å; M95-Y99 HydrophobicContact CG-CE2 4.42Å; M95-Y99 VanDerWaalsContact O-CD2 3.3Å; M95-Y99 WeakPolarHBondContact O-CD2 3.36Å; M95-Y99 WeakPolarHBondContact O-CE2 3.46Å; M95-Y99 HydrophobicContact SD-CE2 4.5Å; M95-Y99 PolarHBondContact SD-OH 3.11Å; V96-Y99 PolarHBondContact O-N 3.05Å; Y99-R101 VanDerWaalsContact C-N 3.3Å; Y99-R101 PolarHBondContact O-N 2.94Å; Y99-V103 VanDerWaalsContact O-CG2 3.26Å; Y99-V103 WeakPolarHBondContact O-CG2 3.44Å
100Y85.7Confident79.8Confident9 Ų950 Ų504%0.03524%0.241CC..Hα-helixtrans-78.8-11178.8-70.9-79.2000114.2I33 L35 R92 V96 V103 E127 H131 V133I33-Y100 HydrophobicContact CD1-CD1 3.74Å; I33-Y100 HydrophobicContact CD1-CE1 3.35Å; L35-Y100 HydrophobicContact CD1-CE1 4.18Å; L35-Y100 WeakPolarHBondContact CD1-OH 3.1Å; L35-Y100 WeakPolarHBondContact CD2-OH 3.34Å; R92-Y100 PolarHBondContact NH2-OH 3.35Å; R92-Y100 VanDerWaalsContact NH2-OH 3.08Å; V96-Y100 HydrophobicContact CG1-CD2 3.87Å; V96-Y100 HydrophobicContact CG1-CE2 3.82Å; V96-Y100 WeakPolarHBondContact O-CD2 3.36Å; V96-Y100 PolarHBondContact O-N 3.02Å; Y100-V103 WeakPolarHBondContact O-CG2 3.48Å; Y100-E127 HydrophobicContact CE2-CG 4.39Å; Y100-E127 WeakPolarHBondContact CE2-OE1 3.33Å; Y100-E127 PolarHBondContact OH-OE1 3.36Å; Y100-E127 VanDerWaalsContact OH-OE1 3.09Å; Y100-H131 HydrophobicContact CD1-CB 3.96Å; Y100-H131 HydrophobicContact CD2-CB 4.16Å; Y100-H131 AromaticContact CD2-CD2 3.39Å; Y100-H131 WeakPolarHBondContact CD2-CD2 2.85Å; Y100-H131 AromaticContact CD2-CG 3.67Å; Y100-H131 AromaticContact CD2-NE2 3.97Å; Y100-H131 AromaticContact CE2-CD2 3.76Å; Y100-H131 HydrophobicContact CG-CB 3.61Å; Y100-H131 AromaticContact CG-CD2 3.78Å; Y100-H131 AromaticContact CG-CG 3.64Å; Y100-V133 HydrophobicContact CD1-CG1 4.46Å; Y100-V133 HydrophobicContact CD1-CG2 3.54Å; Y100-V133 HydrophobicContact CE1-CG2 4.01Å; Y100-V133 WeakPolarHBondContact O-CG1 3Å
101R85.4Confident81.6Confident177 Ų17742.4 Ų42.467%0.66821%0.213SC*.THydrogen-bonded Turntrans-70.6134.6175.2-166.9175.5-176.1135.5-0.1111.5K31 H98 Y99 V103K31-R101 PolarHBondContact NZ-O 3.07Å; H98-R101 PolarHBondContact O-N 2.97Å; Y99-R101 VanDerWaalsContact C-N 3.3Å; Y99-R101 PolarHBondContact O-N 2.94Å; R101-V103 PolarHBondContact O-N 3.08Å
102N87.3Confident83.6Confident83 Ų8341.2 Ų41.244%0.44421%0.208SC..THydrogen-bonded Turntrans54.935175.8-56.9-16.2000113.4K31 H104 H201K31-N102 WeakPolarHBondContact CB-O 3.36Å; N102-H104 PolarHBondContact O-CE1 2.78Å; N102-H104 PolarHBondContact O-ND1 3.36Å; N102-H201 PolarHBondContact ND2-CD2 3.11Å; N102-H201 VanDerWaalsContact ND2-CD2 3.33Å; N102-H201 PolarHBondContact ND2-NE2 3.1Å
103V92.2Very high85.4Confident14 Ų1440.7 Ų40.79%0.08521%0.207CC..  trans-71.3138.8172.2175.80000109.1I33 Y99 Y100 R101 A105 I106 V133 V137I33-V103 HydrophobicContact CD1-CG2 4.5Å; I33-V103 HydrophobicContact CG1-CG1 4.32Å; I33-V103 HydrophobicContact CG2-CB 4.32Å; I33-V103 HydrophobicContact CG2-CG1 3.95Å; I33-V103 HydrophobicContact CG2-CG2 3.38Å; Y99-V103 VanDerWaalsContact O-CG2 3.26Å; Y99-V103 WeakPolarHBondContact O-CG2 3.44Å; Y100-V103 WeakPolarHBondContact O-CG2 3.48Å; R101-V103 PolarHBondContact O-N 3.08Å; V103-A105 WeakPolarHBondContact CG1-O 3.4Å; V103-I106 HydrophobicContact CG1-CG1 3.96Å; V103-V133 HydrophobicContact CB-CG1 4.31Å; V103-V137 HydrophobicContact CG1-CG2 4.38Å; V103-V137 WeakPolarHBondContact O-CG1 3.4Å
104H94.9Very high87.2Confident11 Ų1136.9 Ų36.95%0.05119%0.189CC..  trans-112.5-20.9179.5-58.580.6000112.3F30 K31 N102 V137 P138 L194F30-H104 HydrophobicContact CB-CB 4.33Å; F30-H104 HydrophobicContact CD1-CB 4.1Å; F30-H104 AromaticContact CD1-CD2 3.94Å; K31-H104 PolarHBondContact N-ND1 2.76Å; K31-H104 WeakPolarHBondContact O-CB 3.31Å; K31-H104 PolarHBondContact O-N 2.84Å; N102-H104 PolarHBondContact O-CE1 2.78Å; N102-H104 PolarHBondContact O-ND1 3.36Å; H104-V137 WeakPolarHBondContact O-CB 3.43Å; H104-P138 WeakPolarHBondContact O-CD 3.47Å; H104-L194 HydrophobicContact CB-CD2 3.7Å; H104-L194 WeakPolarHBondContact O-CD2 3.26Å
105A95.9Very high89.1Confident0 Ų032.7 Ų32.70%016%0.161CC..EExtended strand (participates in β ladder)trans-158.6160.6170.600000111.5K31 V32 I33 V103 P138 L190 L194K31-A105 PolarHBondContact O-N 3.25Å; V32-A105 WeakPolarHBondContact CA-O 3.35Å; V32-A105 HydrophobicContact CG1-CB 4.4Å; V32-A105 HydrophobicContact CG2-CB 4.26Å; I33-A105 PolarHBondContact N-O 3.43Å; I33-A105 VanDerWaalsContact N-O 3.1Å; V103-A105 WeakPolarHBondContact CG1-O 3.4Å; A105-P138 VanDerWaalsContact CA-O 3.26Å; A105-P138 WeakPolarHBondContact CA-O 3.45Å; A105-P138 HydrophobicContact CB-CB 4.36Å; A105-P138 WeakPolarHBondContact CB-O 3.49Å; A105-L190 HydrophobicContact CB-CD1 3.87Å; A105-L190 HydrophobicContact CB-CD2 4.11Å; A105-L190 HydrophobicContact CB-CG 4.18Å; A105-L194 HydrophobicContact CB-CD1 4.31Å; A105-L194 HydrophobicContact CB-CD2 3.92Å; A105-L194 HydrophobicContact CB-CG 4.33Å
106I95.6Very high90.8Very high0 Ų034 Ų340%017%0.173CC..EExtended strand (participates in β ladder)trans-126.4133.6179.8-54.1170.8000109.1I33 L35 V103 F108 C128 V133 V137 P138 M139 I140I33-I106 HydrophobicContact CD1-CD1 4.49Å; I33-I106 HydrophobicContact CD1-CG1 4.05Å; I33-I106 HydrophobicContact CD1-CG2 4.24Å; I33-I106 HydrophobicContact CG1-CB 4.21Å; I33-I106 HydrophobicContact CG1-CG1 3.93Å; I33-I106 HydrophobicContact CG1-CG2 3.91Å; L35-I106 HydrophobicContact CD1-CG2 3.93Å; L35-I106 HydrophobicContact CG-CG2 4.42Å; V103-I106 HydrophobicContact CG1-CG1 3.96Å; I106-F108 HydrophobicContact CB-CE2 4.4Å; I106-F108 HydrophobicContact CG2-CD2 4Å; I106-F108 HydrophobicContact CG2-CE1 4.24Å; I106-F108 HydrophobicContact CG2-CE2 3.62Å; I106-F108 HydrophobicContact CG2-CG 4.47Å; I106-F108 HydrophobicContact CG2-CZ 3.77Å; I106-C128 HydrophobicContact CD1-CB 4.38Å; I106-V133 HydrophobicContact CD1-CB 4.13Å; I106-V133 HydrophobicContact CD1-CG2 3.66Å; I106-V137 HydrophobicContact CD1-CG2 3.83Å; I106-V137 HydrophobicContact CG1-CG2 3.77Å; I106-P138 PolarHBondContact N-O 2.78Å; I106-M139 HydrophobicContact CB-CG 4.22Å; I106-M139 HydrophobicContact CD1-CG 4.42Å; I106-M139 WeakPolarHBondContact O-CA 3.43Å; I106-I140 PolarHBondContact O-N 2.99Å
107I97.6Very high92.2Very high1 Ų133.3 Ų33.31%0.00517%0.169CC..EExtended strand (participates in β ladder)trans-111.8115.7169.8-54.7-177.5000107.3V32 I33 V34 L35 V109 I140 V142 Y187 L190V32-I107 HydrophobicContact CG1-CD1 3.8Å; V32-I107 HydrophobicContact CG1-CG1 3.71Å; I33-I107 PolarHBondContact O-N 3.05Å; V34-I107 WeakPolarHBondContact CA-O 3.49Å; V34-I107 HydrophobicContact CG1-CB 4.27Å; V34-I107 HydrophobicContact CG1-CG2 4.31Å; V34-I107 HydrophobicContact CG2-CB 4.48Å; V34-I107 HydrophobicContact CG2-CD1 4.48Å; L35-I107 PolarHBondContact N-O 2.83Å; I107-V109 HydrophobicContact CG2-CG2 3.82Å; I107-I140 HydrophobicContact CB-CD1 4.42Å; I107-I140 HydrophobicContact CB-CG1 4.1Å; I107-I140 HydrophobicContact CD1-CD1 4.04Å; I107-I140 HydrophobicContact CG1-CD1 3.79Å; I107-I140 HydrophobicContact CG1-CG1 3.75Å; I107-I140 HydrophobicContact CG2-CD1 4.09Å; I107-I140 HydrophobicContact CG2-CG1 3.97Å; I107-V142 HydrophobicContact CG2-CG2 3.91Å; I107-Y187 HydrophobicContact CD1-CD1 4.15Å; I107-Y187 HydrophobicContact CD1-CE1 3.52Å; I107-L190 HydrophobicContact CD1-CD2 3.83Å; I107-L190 HydrophobicContact CG1-CD2 3.88Å
108F97.4Very high93.6Very high2 Ų230.4 Ų30.41%0.00915%0.147CC..EExtended strand (participates in β ladder)trans-89.5133.4167.8-67.1-79.2000109.3L35 I106 L121 W124 I125 M139 I140 L141 V142 M167L35-F108 HydrophobicContact CB-CD1 4.09Å; L35-F108 HydrophobicContact CB-CE1 4.31Å; L35-F108 HydrophobicContact CD1-CE1 3.94Å; L35-F108 HydrophobicContact CD1-CZ 4.5Å; I106-F108 HydrophobicContact CB-CE2 4.4Å; I106-F108 HydrophobicContact CG2-CD2 4Å; I106-F108 HydrophobicContact CG2-CE1 4.24Å; I106-F108 HydrophobicContact CG2-CE2 3.62Å; I106-F108 HydrophobicContact CG2-CG 4.47Å; I106-F108 HydrophobicContact CG2-CZ 3.77Å; F108-L121 HydrophobicContact CB-CD2 4.03Å; F108-L121 HydrophobicContact CD1-CD2 4.4Å; F108-W124 HydrophobicContact CD1-CB 4.03Å; F108-W124 HydrophobicContact CE1-CB 3.8Å; F108-I125 HydrophobicContact CE1-CG1 4.11Å; F108-I125 HydrophobicContact CE2-CG1 4.46Å; F108-I125 HydrophobicContact CZ-CG1 3.89Å; F108-M139 HydrophobicContact CE2-CB 4.47Å; F108-M139 HydrophobicContact CE2-CG 4.43Å; F108-M139 HydrophobicContact CE2-SD 4.1Å; F108-I140 PolarHBondContact N-O 3.4Å; F108-L141 HydrophobicContact CB-CD1 3.84Å; F108-V142 PolarHBondContact O-N 2.88Å; F108-M167 HydrophobicContact CD2-CE 3.97Å; F108-M167 HydrophobicContact CD2-SD 3.87Å; F108-M167 HydrophobicContact CE2-CE 3.98Å; F108-M167 HydrophobicContact CE2-SD 4.46Å
109V97.9Very high94.6Very high0 Ų032.6 Ų32.60%015%0.15CC..EExtended strand (participates in β ladder)trans-126.8133.5-179.3-170.40000109.6V34 L35 G36 V40 K42 L45 I107 V142 N144V34-V109 HydrophobicContact CG1-CG2 3.65Å; L35-V109 PolarHBondContact O-N 3.04Å; G36-V109 WeakPolarHBondContact CA-O 3.35Å; V40-V109 HydrophobicContact CB-CG1 4.28Å; V40-V109 HydrophobicContact CG2-CB 3.93Å; V40-V109 HydrophobicContact CG2-CG1 3.77Å; K42-V109 HydrophobicContact CG-CB 4.01Å; K42-V109 HydrophobicContact CG-CG2 4.12Å; L45-V109 HydrophobicContact CD1-CG1 3.67Å; L45-V109 HydrophobicContact CD1-CG2 4.03Å; I107-V109 HydrophobicContact CG2-CG2 3.82Å; V109-V142 WeakPolarHBondContact CA-O 3.49Å; V109-V142 HydrophobicContact CG2-CB 4.46Å; V109-N144 HydrophobicContact CG1-CB 3.98Å
110Y98.2Very high95.3Very high0 Ų036 Ų360%017%0.166CC..EExtended strand (participates in β ladder)trans-130165168.274.5-80.4000110V112 F118 L121 L141 V142 G143 N144 V153 A158 L169 I171Y110-V112 HydrophobicContact CE2-CB 4.44Å; Y110-V112 HydrophobicContact CE2-CG1 3.91Å; Y110-F118 AromaticContact CD1-CD2 3.94Å; Y110-F118 HydrophobicContact CD1-CD2 3.94Å; Y110-F118 HydrophobicContact CD2-CB 3.8Å; Y110-F118 AromaticContact CD2-CD2 3.73Å; Y110-F118 HydrophobicContact CD2-CD2 3.73Å; Y110-F118 HydrophobicContact CD2-CG 4.2Å; Y110-F118 AromaticContact CE1-CD2 3.99Å; Y110-F118 HydrophobicContact CE1-CD2 3.99Å; Y110-F118 HydrophobicContact CE1-CE2 4.3Å; Y110-F118 HydrophobicContact CE2-CB 4.39Å; Y110-F118 AromaticContact CE2-CD2 3.8Å; Y110-F118 HydrophobicContact CE2-CD2 3.8Å; Y110-F118 HydrophobicContact CE2-CG 4.43Å; Y110-F118 HydrophobicContact CG-CB 4.19Å; Y110-F118 AromaticContact CG-CD2 3.8Å; Y110-F118 HydrophobicContact CG-CD2 3.8Å; Y110-F118 AromaticContact CZ-CD2 3.93Å; Y110-L121 HydrophobicContact CD1-CD1 4.18Å; Y110-L121 HydrophobicContact CG-CD1 4.44Å; Y110-L141 HydrophobicContact CD1-CD1 3.77Å; Y110-L141 HydrophobicContact CD1-CG 4.26Å; Y110-L141 HydrophobicContact CE1-CD1 4.07Å; Y110-L141 HydrophobicContact CE1-CD2 4.28Å; Y110-L141 HydrophobicContact CE1-CG 4.04Å; Y110-V142 WeakPolarHBondContact CD1-O 3.21Å; Y110-V142 PolarHBondContact N-O 3.12Å; Y110-G143 VanDerWaalsContact CZ-CA 3.41Å; Y110-N144 PolarHBondContact O-N 3.08Å; Y110-V153 HydrophobicContact CE2-CB 4.06Å; Y110-V153 HydrophobicContact CE2-CG1 4.03Å; Y110-V153 HydrophobicContact CE2-CG2 4.39Å; Y110-A158 HydrophobicContact CE1-CB 4.43Å; Y110-A158 WeakPolarHBondContact OH-CB 3.36Å; Y110-L169 HydrophobicContact CE1-CD1 4.4Å; Y110-I171 WeakPolarHBondContact OH-CD1 3.25Å
111D97.9Very high95.8Very high7 Ų735.6 Ų35.64%0.03717%0.165CC..EExtended strand (participates in β ladder)trans-98.2119.2175.2177.3-14.3000108.9V40 S113 Q114 S117 K145V40-D111 HydrophobicContact CB-CB 4.25Å; V40-D111 HydrophobicContact CG1-CB 4.14Å; D111-S113 PolarHBondContact O-N 3.27Å; D111-S113 VanDerWaalsContact O-N 3.11Å; D111-S113 WeakPolarHBondContact OD1-CA 3.44Å; D111-S113 WeakPolarHBondContact OD1-CB 3.32Å; D111-S113 PolarHBondContact OD1-N 2.89Å; D111-S113 PolarHBondContact OD1-OG 3.05Å; D111-S113 PolarHBondContact OD2-OG 2.97Å; D111-Q114 HydrophobicContact CB-CB 4.06Å; D111-Q114 HydrophobicContact CB-CG 4.31Å; D111-Q114 CarbonylContact O-C 3.59Å; D111-Q114 PolarHBondContact O-N 3.11Å; D111-Q114 WeakPolarHBondContact OD2-CG 3.48Å; D111-S117 PolarHBondContact N-OG 2.86Å; D111-S117 PolarHBondContact O-OG 2.89Å; D111-K145 VanDerWaalsContact OD2-CD 3.31Å; D111-K145 WeakPolarHBondContact OD2-CD 3.3Å; D111-K145 VanDerWaalsContact OD2-CE 3.23Å; D111-K145 WeakPolarHBondContact OD2-CE 3.47Å; D111-K145 IonicContact OD2-NZ 3.07Å; D111-K145 PolarHBondContact OD2-NZ 3.48Å
112V98.2Very high96.3Very high5 Ų530.4 Ų30.43%0.0315%0.154CC..THydrogen-bonded Turntrans-62.1-21.2-177.7-57.40000113Y110 N144 K145 Q152 V153 I171Y110-V112 HydrophobicContact CE2-CB 4.44Å; Y110-V112 HydrophobicContact CE2-CG1 3.91Å; V112-N144 WeakPolarHBondContact CG2-O 3.39Å; V112-N144 PolarHBondContact N-O 2.88Å; V112-K145 WeakPolarHBondContact CG2-O 3.46Å; V112-Q152 PolarHBondContact O-N 3.28Å; V112-V153 PolarHBondContact O-N 2.89Å; V112-I171 HydrophobicContact CG1-CD1 4.34Å; V112-I171 HydrophobicContact CG1-CG2 4.33Å
113S97.4Very high96.6Very high7 Ų730.9 Ų30.95%0.04915%0.153CC..THydrogen-bonded Turntrans-89.8-4.1177.476.50000114.3D111 T150 Q152D111-S113 PolarHBondContact O-N 3.27Å; D111-S113 VanDerWaalsContact O-N 3.11Å; D111-S113 WeakPolarHBondContact OD1-CA 3.44Å; D111-S113 WeakPolarHBondContact OD1-CB 3.32Å; D111-S113 PolarHBondContact OD1-N 2.89Å; D111-S113 PolarHBondContact OD1-OG 3.05Å; D111-S113 PolarHBondContact OD2-OG 2.97Å; S113-T150 WeakPolarHBondContact CA-O 3.36Å; S113-T150 WeakPolarHBondContact CB-O 3.42Å; S113-Q152 VanDerWaalsContact O-CG 3.28Å; S113-Q152 WeakPolarHBondContact O-CG 3.27Å; S113-Q152 PolarHBondContact O-NE2 2.9Å; S113-Q152 VanDerWaalsContact O-NE2 3.14Å
114Q96.7Very high96.6Very high89 Ų8930.5 Ų30.542%0.41615%0.15SC..  trans-130.595.5-176.9-64.4-64.6-46.500110.8D111 S116 S117D111-Q114 HydrophobicContact CB-CB 4.06Å; D111-Q114 HydrophobicContact CB-CG 4.31Å; D111-Q114 CarbonylContact O-C 3.59Å; D111-Q114 PolarHBondContact O-N 3.11Å; D111-Q114 WeakPolarHBondContact OD2-CG 3.48Å; Q114-S116 PolarHBondContact O-N 3.03Å; Q114-S116 VanDerWaalsContact O-N 3.13Å; Q114-S117 PolarHBondContact O-N 3.21Å; Q114-S117 PolarHBondContact O-OG 3.25Å
115A97.3Very high96.6Very high10 Ų1030.2 Ų30.28%0.08315%0.149CC..Hα-helixtrans-59.7-27.4-178.500000113.8S117 F118 R119 Q152 V153A115-S117 VanDerWaalsContact C-N 3.33Å; A115-S117 PolarHBondContact O-N 3.02Å; A115-F118 PolarHBondContact O-N 3.43Å; A115-R119 WeakPolarHBondContact O-CG 3.37Å; A115-R119 PolarHBondContact O-N 3.2Å; A115-Q152 HydrophobicContact CB-CB 3.98Å; A115-Q152 VanDerWaalsContact N-OE1 3.14Å; A115-V153 HydrophobicContact CB-CG2 4.09Å
116S97Very high96.5Very high61 Ų6133 Ų3343%0.42716%0.164SC..Hα-helixtrans-58.6-43.2174.349.10000112.3Q114 F118 R119 Q120Q114-S116 PolarHBondContact O-N 3.03Å; Q114-S116 VanDerWaalsContact O-N 3.13Å; S116-F118 VanDerWaalsContact C-N 3.28Å; S116-F118 PolarHBondContact O-N 2.93Å; S116-R119 PolarHBondContact O-N 3.02Å; S116-Q120 WeakPolarHBondContact O-CG 3.29Å; S116-Q120 PolarHBondContact O-N 3.42Å; S116-Q120 VanDerWaalsContact O-N 3.12Å
117S96.8Very high96.2Very high4 Ų434 Ų343%0.02817%0.168CC..Hα-helixtrans-64.2-33.3-179.272.30000112.9D111 Q114 A115D111-S117 PolarHBondContact N-OG 2.86Å; D111-S117 PolarHBondContact O-OG 2.89Å; Q114-S117 PolarHBondContact O-N 3.21Å; Q114-S117 PolarHBondContact O-OG 3.25Å; A115-S117 VanDerWaalsContact C-N 3.33Å; A115-S117 PolarHBondContact O-N 3.02Å
118F98.4Very high95.9Very high12 Ų1233.9 Ų33.95%0.05317%0.168CC..Hα-helixtrans-73.6-43.1174.5-177.7-101.2000111.8Y110 A115 S116 Q120 L121 L141 V153 E157 A158 F161Y110-F118 AromaticContact CD1-CD2 3.94Å; Y110-F118 HydrophobicContact CD1-CD2 3.94Å; Y110-F118 HydrophobicContact CD2-CB 3.8Å; Y110-F118 AromaticContact CD2-CD2 3.73Å; Y110-F118 HydrophobicContact CD2-CD2 3.73Å; Y110-F118 HydrophobicContact CD2-CG 4.2Å; Y110-F118 AromaticContact CE1-CD2 3.99Å; Y110-F118 HydrophobicContact CE1-CD2 3.99Å; Y110-F118 HydrophobicContact CE1-CE2 4.3Å; Y110-F118 HydrophobicContact CE2-CB 4.39Å; Y110-F118 AromaticContact CE2-CD2 3.8Å; Y110-F118 HydrophobicContact CE2-CD2 3.8Å; Y110-F118 HydrophobicContact CE2-CG 4.43Å; Y110-F118 HydrophobicContact CG-CB 4.19Å; Y110-F118 AromaticContact CG-CD2 3.8Å; Y110-F118 HydrophobicContact CG-CD2 3.8Å; Y110-F118 AromaticContact CZ-CD2 3.93Å; A115-F118 PolarHBondContact O-N 3.43Å; S116-F118 VanDerWaalsContact C-N 3.28Å; S116-F118 PolarHBondContact O-N 2.93Å; F118-Q120 PolarHBondContact O-N 3.13Å; F118-Q120 VanDerWaalsContact O-N 3.15Å; F118-L121 HydrophobicContact CD2-CD1 3.46Å; F118-L121 VanDerWaalsContact CD2-CD1 3.46Å; F118-L121 HydrophobicContact CE2-CD1 3.77Å; F118-L121 HydrophobicContact CG-CD1 4.19Å; F118-L121 VanDerWaalsContact O-CB 3.29Å; F118-L121 WeakPolarHBondContact O-CB 3.28Å; F118-L121 VanDerWaalsContact O-CG 3.28Å; F118-L121 WeakPolarHBondContact O-CG 3.38Å; F118-L121 PolarHBondContact O-N 3.09Å; F118-L141 HydrophobicContact CE2-CD2 4.49Å; F118-V153 HydrophobicContact CB-CG1 4.35Å; F118-V153 HydrophobicContact CB-CG2 3.72Å; F118-V153 HydrophobicContact CD1-CG1 3.86Å; F118-V153 HydrophobicContact CD1-CG2 4.32Å; F118-V153 HydrophobicContact CD2-CG1 3.92Å; F118-V153 HydrophobicContact CE1-CG1 4.07Å; F118-V153 HydrophobicContact CE2-CG1 4.14Å; F118-V153 HydrophobicContact CG-CG1 3.78Å; F118-V153 HydrophobicContact CG-CG2 4.05Å; F118-V153 HydrophobicContact CZ-CG1 4.21Å; F118-E157 HydrophobicContact CE1-CG 4.05Å; F118-E157 HydrophobicContact CZ-CG 4.43Å; F118-A158 HydrophobicContact CE2-CB 3.98Å; F118-A158 HydrophobicContact CZ-CB 4.39Å; F118-F161 HydrophobicContact CE2-CB 4.26Å; F118-F161 HydrophobicContact CE2-CD1 4.37Å; F118-F161 HydrophobicContact CE2-CG 4.28Å; F118-F161 HydrophobicContact CZ-CB 3.63Å; F118-F161 HydrophobicContact CZ-CD1 4.41Å; F118-F161 HydrophobicContact CZ-CD2 4.31Å; F118-F161 AromaticContact CZ-CG 3.87Å; F118-F161 HydrophobicContact CZ-CG 3.87Å
119R97.9Very high95.7Very high180 Ų18038.8 Ų38.868%0.67919%0.191SC*.Hα-helixtrans-62.5-20.6176.8-70.9177.2-160.71475.7113.7A115 S116 P122A115-R119 WeakPolarHBondContact O-CG 3.37Å; A115-R119 PolarHBondContact O-N 3.2Å; S116-R119 PolarHBondContact O-N 3.02Å; R119-P122 VanDerWaalsContact O-CD 3.31Å; R119-P122 WeakPolarHBondContact O-CD 3.45Å
120Q95.2Very high95.4Very high84 Ų8445.7 Ų45.739%0.39322%0.221SC..THydrogen-bonded Turntrans-83.2-13176.1-71.9-74.295.600113.1D37 S116 F118 P122 H123 W124D37-Q120 VanDerWaalsContact OD1-CB 3.27Å; D37-Q120 WeakPolarHBondContact OD1-CB 3.31Å; D37-Q120 WeakPolarHBondContact OD2-CG 3.28Å; S116-Q120 WeakPolarHBondContact O-CG 3.29Å; S116-Q120 PolarHBondContact O-N 3.42Å; S116-Q120 VanDerWaalsContact O-N 3.12Å; F118-Q120 PolarHBondContact O-N 3.13Å; F118-Q120 VanDerWaalsContact O-N 3.15Å; Q120-P122 VanDerWaalsContact C-CD 3.45Å; Q120-P122 VanDerWaalsContact C-N 3.33Å; Q120-H123 WeakPolarHBondContact O-CA 3.42Å; Q120-H123 VanDerWaalsContact O-CB 3.25Å; Q120-H123 WeakPolarHBondContact O-CB 3.48Å; Q120-H123 PolarHBondContact O-N 2.91Å; Q120-W124 PolarHBondContact O-N 2.94Å
121L96.7Very high95Very high0 Ų048.9 Ų48.90%024%0.236CC..Hα-helixtrans-52.5-40.6178.5-67.9172.2000114.3F108 Y110 F118 H123 W124 I125 L141 F161F108-L121 HydrophobicContact CB-CD2 4.03Å; F108-L121 HydrophobicContact CD1-CD2 4.4Å; Y110-L121 HydrophobicContact CD1-CD1 4.18Å; Y110-L121 HydrophobicContact CG-CD1 4.44Å; F118-L121 HydrophobicContact CD2-CD1 3.46Å; F118-L121 VanDerWaalsContact CD2-CD1 3.46Å; F118-L121 HydrophobicContact CE2-CD1 3.77Å; F118-L121 HydrophobicContact CG-CD1 4.19Å; F118-L121 VanDerWaalsContact O-CB 3.29Å; F118-L121 WeakPolarHBondContact O-CB 3.28Å; F118-L121 VanDerWaalsContact O-CG 3.28Å; F118-L121 WeakPolarHBondContact O-CG 3.38Å; F118-L121 PolarHBondContact O-N 3.09Å; L121-H123 VanDerWaalsContact C-N 3.25Å; L121-H123 PolarHBondContact O-N 3.49Å; L121-W124 WeakPolarHBondContact O-CB 3.49Å; L121-W124 PolarHBondContact O-N 3.12Å; L121-W124 VanDerWaalsContact O-N 3.11Å; L121-I125 WeakPolarHBondContact O-CG1 3.48Å; L121-I125 PolarHBondContact O-N 3.35Å; L121-L141 HydrophobicContact CD1-CD1 3.72Å; L121-L141 HydrophobicContact CD1-CD2 4.47Å; L121-L141 HydrophobicContact CD2-CD1 4.23Å; L121-F161 HydrophobicContact CB-CE1 3.94Å; L121-F161 HydrophobicContact CB-CE2 4.34Å; L121-F161 HydrophobicContact CB-CZ 3.55Å; L121-F161 HydrophobicContact CD1-CD1 4.27Å; L121-F161 HydrophobicContact CD1-CE1 3.82Å; L121-F161 HydrophobicContact CD1-CZ 4.21Å
122P96.7Very high94.7Very high68 Ų6851 Ų5144%0.44226%0.259SS..Hα-helixtrans-56.5-35.4172.2-26.835.6000114.2R119 Q120 I125 D126 F161R119-P122 VanDerWaalsContact O-CD 3.31Å; R119-P122 WeakPolarHBondContact O-CD 3.45Å; Q120-P122 VanDerWaalsContact C-CD 3.45Å; Q120-P122 VanDerWaalsContact C-N 3.33Å; P122-I125 PolarHBondContact O-N 3.3Å; P122-D126 WeakPolarHBondContact O-CB 3.4Å; P122-D126 PolarHBondContact O-N 3.34Å; P122-F161 HydrophobicContact CG-CE2 4.11Å
123H93.1Very high94.4Very high93 Ų9351.3 Ų51.343%0.43126%0.261SS..Hα-helixtrans-66.3-42.6175.4175.863000111.3Q120 L121 I125 D126 E127Q120-H123 WeakPolarHBondContact O-CA 3.42Å; Q120-H123 VanDerWaalsContact O-CB 3.25Å; Q120-H123 WeakPolarHBondContact O-CB 3.48Å; Q120-H123 PolarHBondContact O-N 2.91Å; L121-H123 VanDerWaalsContact C-N 3.25Å; L121-H123 PolarHBondContact O-N 3.49Å; H123-I125 VanDerWaalsContact C-N 3.3Å; H123-I125 PolarHBondContact O-N 3.31Å; H123-D126 PolarHBondContact O-N 3.15Å; H123-E127 PolarHBondContact O-N 3.17Å
124W92.6Very high94.1Very high6 Ų653 Ų532%0.02327%0.267CS..Hα-helixtrans-63.8-35.8174.8-64.2105.1000112.4L35 G36 D37 F108 Q120 L121 E127 C128L35-W124 HydrophobicContact CB-CE3 3.9Å; L35-W124 HydrophobicContact CB-CZ3 4.36Å; L35-W124 HydrophobicContact CD2-CE3 4.06Å; L35-W124 HydrophobicContact CD2-CZ3 4.01Å; L35-W124 HydrophobicContact CG-CE3 4.39Å; G36-W124 VanDerWaalsContact C-CE2 3.44Å; G36-W124 WeakPolarHBondContact O-CH2 3.33Å; G36-W124 WeakPolarHBondContact O-CZ2 3.3Å; D37-W124 PolarHBondContact OD1-NE1 2.91Å; F108-W124 HydrophobicContact CD1-CB 4.03Å; F108-W124 HydrophobicContact CE1-CB 3.8Å; Q120-W124 PolarHBondContact O-N 2.94Å; L121-W124 WeakPolarHBondContact O-CB 3.49Å; L121-W124 PolarHBondContact O-N 3.12Å; L121-W124 VanDerWaalsContact O-N 3.11Å; W124-E127 PolarHBondContact O-N 3.42Å; W124-C128 PolarHBondContact O-N 3.26Å; W124-C128 VanDerWaalsContact O-N 3.13Å; W124-C128 PolarHBondContact O-SG 3.36Å; W124-C128 VanDerWaalsContact O-SG 3.33Å
125I94.9Very high93.9Very high6 Ų651.4 Ų51.43%0.03128%0.275CS..Hα-helixtrans-66.6-47.5174-72.7175.9000111.3F108 L121 P122 H123 E127 C128 Q129 F134 F161 M167F108-I125 HydrophobicContact CE1-CG1 4.11Å; F108-I125 HydrophobicContact CE2-CG1 4.46Å; F108-I125 HydrophobicContact CZ-CG1 3.89Å; L121-I125 WeakPolarHBondContact O-CG1 3.48Å; L121-I125 PolarHBondContact O-N 3.35Å; P122-I125 PolarHBondContact O-N 3.3Å; H123-I125 VanDerWaalsContact C-N 3.3Å; H123-I125 PolarHBondContact O-N 3.31Å; I125-E127 PolarHBondContact O-N 2.77Å; I125-C128 WeakPolarHBondContact O-CB 3.44Å; I125-C128 PolarHBondContact O-N 3.07Å; I125-C128 VanDerWaalsContact O-N 3.08Å; I125-Q129 HydrophobicContact CG2-CG 4.4Å; I125-Q129 WeakPolarHBondContact O-CG 3.24Å; I125-Q129 PolarHBondContact O-N 2.93Å; I125-F134 HydrophobicContact CB-CD2 4.29Å; I125-F134 HydrophobicContact CB-CE2 4.08Å; I125-F134 HydrophobicContact CD1-CE2 3.95Å; I125-F134 HydrophobicContact CD1-CZ 4.32Å; I125-F134 HydrophobicContact CG1-CD2 4.2Å; I125-F134 HydrophobicContact CG1-CE2 3.68Å; I125-F134 HydrophobicContact CG1-CZ 4.44Å; I125-F134 HydrophobicContact CG2-CD1 4.34Å; I125-F134 HydrophobicContact CG2-CD2 3.7Å; I125-F134 HydrophobicContact CG2-CE1 4.14Å; I125-F134 HydrophobicContact CG2-CE2 3.47Å; I125-F134 VanDerWaalsContact CG2-CE2 3.47Å; I125-F134 HydrophobicContact CG2-CG 4.13Å; I125-F134 HydrophobicContact CG2-CZ 3.71Å; I125-F161 HydrophobicContact CD1-CE1 4.15Å; I125-F161 HydrophobicContact CD1-CZ 3.64Å; I125-M167 HydrophobicContact CD1-CE 4.47Å
126D93Very high93.7Very high58 Ų5855.6 Ų55.631%0.3130%0.3SS..Hα-helixtrans-57.5-38.4175.9171.268.3000111.3P122 H123 Q129 K130P122-D126 WeakPolarHBondContact O-CB 3.4Å; P122-D126 PolarHBondContact O-N 3.34Å; H123-D126 PolarHBondContact O-N 3.15Å; D126-Q129 WeakPolarHBondContact O-CB 3.19Å; D126-Q129 PolarHBondContact O-N 3.37Å; D126-K130 WeakPolarHBondContact O-CG 3.32Å; D126-K130 PolarHBondContact O-N 2.89Å; D126-K130 IonicContact OD1-NZ 3.94Å; D126-K130 WeakPolarHBondContact OD2-CE 3.42Å; D126-K130 IonicContact OD2-NZ 2.63Å; D126-K130 PolarHBondContact OD2-NZ 3.41Å
127E89Confident93.5Very high20 Ų2053.7 Ų53.79%0.09329%0.286CS..Hα-helixtrans-63.1-46.5173.8-155-175.5130.200112.1R92 V96 Y100 H123 W124 I125 Q129 K130 H131R92-E127 IonicContact CZ-OE1 3.55Å; R92-E127 IonicContact CZ-OE2 2.85Å; R92-E127 IonicContact NE-OE1 3.74Å; R92-E127 IonicContact NE-OE2 2.8Å; R92-E127 PolarHBondContact NE-OE2 3.25Å; R92-E127 VanDerWaalsContact NE-OE2 3.07Å; R92-E127 IonicContact NH2-OE1 3.23Å; R92-E127 PolarHBondContact NH2-OE1 3.38Å; R92-E127 IonicContact NH2-OE2 3.78Å; R92-E127 PolarHBondContact NH2-OE2 3.41Å; V96-E127 WeakPolarHBondContact CG1-OE1 3.43Å; V96-E127 WeakPolarHBondContact CG2-OE1 3.34Å; Y100-E127 HydrophobicContact CE2-CG 4.39Å; Y100-E127 WeakPolarHBondContact CE2-OE1 3.33Å; Y100-E127 PolarHBondContact OH-OE1 3.36Å; Y100-E127 VanDerWaalsContact OH-OE1 3.09Å; H123-E127 PolarHBondContact O-N 3.17Å; W124-E127 PolarHBondContact O-N 3.42Å; I125-E127 PolarHBondContact O-N 2.77Å; E127-Q129 VanDerWaalsContact C-N 3.27Å; E127-Q129 PolarHBondContact O-N 3.04Å; E127-K130 PolarHBondContact O-N 2.94Å; E127-H131 PolarHBondContact O-CD2 3.24Å; E127-H131 PolarHBondContact O-N 3.02Å
128C91.5Very high93.5Very high0 Ų054.8 Ų54.80%029%0.292CS..Hα-helixtrans-60-35.5174.2-70.50000113L35 I106 W124 I125 H131 G132 V133 F134L35-C128 WeakPolarHBondContact CD1-SG 3.35Å; I106-C128 HydrophobicContact CD1-CB 4.38Å; W124-C128 PolarHBondContact O-N 3.26Å; W124-C128 VanDerWaalsContact O-N 3.13Å; W124-C128 PolarHBondContact O-SG 3.36Å; W124-C128 VanDerWaalsContact O-SG 3.33Å; I125-C128 WeakPolarHBondContact O-CB 3.44Å; I125-C128 PolarHBondContact O-N 3.07Å; I125-C128 VanDerWaalsContact O-N 3.08Å; C128-H131 PolarHBondContact O-N 2.91Å; C128-G132 PolarHBondContact O-N 3.41Å; C128-G132 VanDerWaalsContact O-N 3.14Å; C128-V133 HydrophobicContact CB-CG2 3.8Å; C128-V133 WeakPolarHBondContact O-CG2 3.23Å; C128-V133 PolarHBondContact O-N 3Å; C128-F134 HydrophobicContact CB-CB 3.74Å; C128-F134 HydrophobicContact CB-CD2 4.26Å; C128-F134 HydrophobicContact CB-CG 4.48Å; C128-F134 PolarHBondContact O-N 3.42Å
129Q93.8Very high93.4Very high104 Ų10455 Ų5549%0.48629%0.294SS..Hα-helixtrans-67.8-44.6176.3-72.5174.8-14.400111.5I125 D126 E127 H131 G132 F134I125-Q129 HydrophobicContact CG2-CG 4.4Å; I125-Q129 WeakPolarHBondContact O-CG 3.24Å; I125-Q129 PolarHBondContact O-N 2.93Å; D126-Q129 WeakPolarHBondContact O-CB 3.19Å; D126-Q129 PolarHBondContact O-N 3.37Å; E127-Q129 VanDerWaalsContact C-N 3.27Å; E127-Q129 PolarHBondContact O-N 3.04Å; Q129-H131 PolarHBondContact O-N 3.12Å; Q129-G132 PolarHBondContact O-N 3.32Å; Q129-F134 HydrophobicContact CB-CB 4.37Å; Q129-F134 HydrophobicContact CG-CB 3.56Å; Q129-F134 HydrophobicContact CG-CD1 3.76Å; Q129-F134 HydrophobicContact CG-CG 3.76Å
130K91.2Very high93.4Very high145 Ų14546.5 Ų46.563%0.6326%0.262SS*.Hα-helixtrans-57.5-30.9175.4-75165.9176.4164.20112.9D126 E127D126-K130 WeakPolarHBondContact O-CG 3.32Å; D126-K130 PolarHBondContact O-N 2.89Å; D126-K130 IonicContact OD1-NZ 3.94Å; D126-K130 WeakPolarHBondContact OD2-CE 3.42Å; D126-K130 IonicContact OD2-NZ 2.63Å; D126-K130 PolarHBondContact OD2-NZ 3.41Å; E127-K130 PolarHBondContact O-N 2.94Å
131H89.8Confident93.5Very high68 Ų6842.5 Ų42.532%0.31524%0.243SC..THydrogen-bonded Turntrans-95.73.7176.6-67.2-66.2000114.6V96 Y100 E127 C128 Q129 V133V96-H131 WeakPolarHBondContact CG1-NE2 3.28Å; Y100-H131 HydrophobicContact CD1-CB 3.96Å; Y100-H131 HydrophobicContact CD2-CB 4.16Å; Y100-H131 AromaticContact CD2-CD2 3.39Å; Y100-H131 WeakPolarHBondContact CD2-CD2 2.85Å; Y100-H131 AromaticContact CD2-CG 3.67Å; Y100-H131 AromaticContact CD2-NE2 3.97Å; Y100-H131 AromaticContact CE2-CD2 3.76Å; Y100-H131 HydrophobicContact CG-CB 3.61Å; Y100-H131 AromaticContact CG-CD2 3.78Å; Y100-H131 AromaticContact CG-CG 3.64Å; E127-H131 PolarHBondContact O-CD2 3.24Å; E127-H131 PolarHBondContact O-N 3.02Å; C128-H131 PolarHBondContact O-N 2.91Å; Q129-H131 PolarHBondContact O-N 3.12Å; H131-V133 VanDerWaalsContact C-N 3.28Å; H131-V133 PolarHBondContact O-N 3.09Å
132G90.9Very high93.6Very high51 Ų5142.7 Ų42.753%0.52625%0.245SC..THydrogen-bonded Turntrans67.424.2175.100000114.6C128 Q129 T136C128-G132 PolarHBondContact O-N 3.41Å; C128-G132 VanDerWaalsContact O-N 3.14Å; Q129-G132 PolarHBondContact O-N 3.32Å; G132-T136 WeakPolarHBondContact O-CG2 3.31Å; G132-T136 PolarHBondContact O-OG1 2.65Å
133V91.6Very high93.7Very high11 Ų1139.5 Ų39.57%0.06722%0.224CC..  trans-105.5-17177.8-60.30000113.3Y100 V103 I106 C128 H131 G135 T136Y100-V133 HydrophobicContact CD1-CG1 4.46Å; Y100-V133 HydrophobicContact CD1-CG2 3.54Å; Y100-V133 HydrophobicContact CE1-CG2 4.01Å; Y100-V133 WeakPolarHBondContact O-CG1 3Å; V103-V133 HydrophobicContact CB-CG1 4.31Å; I106-V133 HydrophobicContact CD1-CB 4.13Å; I106-V133 HydrophobicContact CD1-CG2 3.66Å; C128-V133 HydrophobicContact CB-CG2 3.8Å; C128-V133 WeakPolarHBondContact O-CG2 3.23Å; C128-V133 PolarHBondContact O-N 3Å; H131-V133 VanDerWaalsContact C-N 3.28Å; H131-V133 PolarHBondContact O-N 3.09Å; V133-G135 PolarHBondContact O-N 2.85Å; V133-T136 WeakPolarHBondContact CA-OG1 2.93Å; V133-T136 PolarHBondContact O-N 3.09Å; V133-T136 PolarHBondContact O-OG1 2.97Å; V133-T136 VanDerWaalsContact O-OG1 3.04Å
134F93Very high94Very high42 Ų4235.2 Ų35.218%0.18420%0.204CC..THydrogen-bonded Turntrans-68.1129.9179.5-174.3-98.4000110.9I125 C128 Q129 T136 M139 H165 M167I125-F134 HydrophobicContact CB-CD2 4.29Å; I125-F134 HydrophobicContact CB-CE2 4.08Å; I125-F134 HydrophobicContact CD1-CE2 3.95Å; I125-F134 HydrophobicContact CD1-CZ 4.32Å; I125-F134 HydrophobicContact CG1-CD2 4.2Å; I125-F134 HydrophobicContact CG1-CE2 3.68Å; I125-F134 HydrophobicContact CG1-CZ 4.44Å; I125-F134 HydrophobicContact CG2-CD1 4.34Å; I125-F134 HydrophobicContact CG2-CD2 3.7Å; I125-F134 HydrophobicContact CG2-CE1 4.14Å; I125-F134 HydrophobicContact CG2-CE2 3.47Å; I125-F134 VanDerWaalsContact CG2-CE2 3.47Å; I125-F134 HydrophobicContact CG2-CG 4.13Å; I125-F134 HydrophobicContact CG2-CZ 3.71Å; C128-F134 HydrophobicContact CB-CB 3.74Å; C128-F134 HydrophobicContact CB-CD2 4.26Å; C128-F134 HydrophobicContact CB-CG 4.48Å; C128-F134 PolarHBondContact O-N 3.42Å; Q129-F134 HydrophobicContact CB-CB 4.37Å; Q129-F134 HydrophobicContact CG-CB 3.56Å; Q129-F134 HydrophobicContact CG-CD1 3.76Å; Q129-F134 HydrophobicContact CG-CG 3.76Å; F134-T136 PolarHBondContact O-N 2.85Å; F134-T136 VanDerWaalsContact O-N 3.1Å; F134-M139 HydrophobicContact CD2-CE 4.25Å; F134-M139 HydrophobicContact CD2-SD 3.5Å; F134-M139 WeakPolarHBondContact CD2-SD 3.42Å; F134-M139 HydrophobicContact CE2-CE 3.88Å; F134-M139 HydrophobicContact CE2-SD 3.54Å; F134-M139 VanDerWaalsContact CE2-SD 3.54Å; F134-M139 HydrophobicContact CG-SD 4.27Å; F134-M139 HydrophobicContact CZ-CE 4.1Å; F134-M139 HydrophobicContact CZ-SD 4.34Å; F134-H165 HydrophobicContact CZ-CB 4.29Å; F134-H165 AromaticContact CZ-ND1 3.77Å; F134-M167 HydrophobicContact CE2-CE 4.31Å
135G91.7Very high94.2Very high56 Ų5637.1 Ų37.158%0.57721%0.212SC*.THydrogen-bonded Turntrans71.4-7.3-179.300000115.2V133V133-G135 PolarHBondContact O-N 2.85Å
136T92.2Very high94.3Very high98 Ų9839 Ų3960%0.60123%0.226SC*.THydrogen-bonded Turntrans-92-18.5178.767.70000112.9G132 V133 F134G132-T136 WeakPolarHBondContact O-CG2 3.31Å; G132-T136 PolarHBondContact O-OG1 2.65Å; V133-T136 WeakPolarHBondContact CA-OG1 2.93Å; V133-T136 PolarHBondContact O-N 3.09Å; V133-T136 PolarHBondContact O-OG1 2.97Å; V133-T136 VanDerWaalsContact O-OG1 3.04Å; F134-T136 PolarHBondContact O-N 2.85Å; F134-T136 VanDerWaalsContact O-N 3.1Å
137V94Very high94.5Very high22 Ų2238.9 Ų38.913%0.13323%0.225CC..SBendtrans-129.2157.1179.2-62.90000110.1V103 H104 I106 M139V103-V137 HydrophobicContact CG1-CG2 4.38Å; V103-V137 WeakPolarHBondContact O-CG1 3.4Å; H104-V137 WeakPolarHBondContact O-CB 3.43Å; I106-V137 HydrophobicContact CD1-CG2 3.83Å; I106-V137 HydrophobicContact CG1-CG2 3.77Å; V137-M139 WeakPolarHBondContact O-CG 3.2Å; V137-M139 PolarHBondContact O-N 3.21Å
138P95.6Very high94.8Very high26 Ų2640.4 Ų40.417%0.16923%0.233CC..  trans-51134.6170.9-28.735.6000112.7H104 A105 I106 L190 I193 N197H104-P138 WeakPolarHBondContact O-CD 3.47Å; A105-P138 VanDerWaalsContact CA-O 3.26Å; A105-P138 WeakPolarHBondContact CA-O 3.45Å; A105-P138 HydrophobicContact CB-CB 4.36Å; A105-P138 WeakPolarHBondContact CB-O 3.49Å; I106-P138 PolarHBondContact N-O 2.78Å; P138-L190 HydrophobicContact CB-CD1 4.38Å; P138-I193 HydrophobicContact CB-CG2 3.71Å; P138-I193 HydrophobicContact CG-CG2 3.45Å; P138-I193 VanDerWaalsContact CG-CG2 3.45Å; P138-N197 WeakPolarHBondContact CG-ND2 3.31Å
139M96.1Very high94.9Very high18 Ų1846.3 Ų46.39%0.08927%0.271CS..EExtended strand (participates in β ladder)trans-125.2143.7178-59.1178.6-66.700108.9I106 F108 F134 V137 M167 P168I106-M139 HydrophobicContact CB-CG 4.22Å; I106-M139 HydrophobicContact CD1-CG 4.42Å; I106-M139 WeakPolarHBondContact O-CA 3.43Å; F108-M139 HydrophobicContact CE2-CB 4.47Å; F108-M139 HydrophobicContact CE2-CG 4.43Å; F108-M139 HydrophobicContact CE2-SD 4.1Å; F134-M139 HydrophobicContact CD2-CE 4.25Å; F134-M139 HydrophobicContact CD2-SD 3.5Å; F134-M139 WeakPolarHBondContact CD2-SD 3.42Å; F134-M139 HydrophobicContact CE2-CE 3.88Å; F134-M139 HydrophobicContact CE2-SD 3.54Å; F134-M139 VanDerWaalsContact CE2-SD 3.54Å; F134-M139 HydrophobicContact CG-SD 4.27Å; F134-M139 HydrophobicContact CZ-CE 4.1Å; F134-M139 HydrophobicContact CZ-SD 4.34Å; V137-M139 WeakPolarHBondContact O-CG 3.2Å; V137-M139 PolarHBondContact O-N 3.21Å; M139-M167 HydrophobicContact CB-CB 3.98Å; M139-M167 HydrophobicContact CB-CE 4.3Å; M139-M167 HydrophobicContact CB-SD 4.44Å; M139-M167 HydrophobicContact CE-CE 4.4Å; M139-M167 WeakPolarHBondContact O-CB 3.38Å; M139-M167 HydrophobicContact SD-CE 4.39Å; M139-P168 VanDerWaalsContact O-CD 3.28Å; M139-P168 WeakPolarHBondContact O-CD 3.5Å
140I97.9Very high94.9Very high1 Ų145.7 Ų45.71%0.00528%0.275CS..EExtended strand (participates in β ladder)trans-132.1148169.361.2170.5000109.7I106 I107 F108 V142 P168 F170 I186 L190I106-I140 PolarHBondContact O-N 2.99Å; I107-I140 HydrophobicContact CB-CD1 4.42Å; I107-I140 HydrophobicContact CB-CG1 4.1Å; I107-I140 HydrophobicContact CD1-CD1 4.04Å; I107-I140 HydrophobicContact CG1-CD1 3.79Å; I107-I140 HydrophobicContact CG1-CG1 3.75Å; I107-I140 HydrophobicContact CG2-CD1 4.09Å; I107-I140 HydrophobicContact CG2-CG1 3.97Å; F108-I140 PolarHBondContact N-O 3.4Å; I140-V142 HydrophobicContact CD1-CG2 4.22Å; I140-P168 HydrophobicContact CG2-CG 4.37Å; I140-F170 HydrophobicContact CB-CE2 4.45Å; I140-F170 HydrophobicContact CG2-CE2 4.25Å; I140-I186 HydrophobicContact CD1-CG2 3.74Å; I140-L190 HydrophobicContact CD1-CD1 4.49Å; I140-L190 HydrophobicContact CD1-CD2 4.38Å; I140-L190 HydrophobicContact CG2-CD1 4.06Å
141L98.6Very high94.9Very high0 Ų042.9 Ų42.90%027%0.27CS..EExtended strand (participates in β ladder)trans-106.2130.5171.9-177.258.4000109.9F108 Y110 F118 L121 F161 A162 M167 P168 L169 F170F108-L141 HydrophobicContact CB-CD1 3.84Å; Y110-L141 HydrophobicContact CD1-CD1 3.77Å; Y110-L141 HydrophobicContact CD1-CG 4.26Å; Y110-L141 HydrophobicContact CE1-CD1 4.07Å; Y110-L141 HydrophobicContact CE1-CD2 4.28Å; Y110-L141 HydrophobicContact CE1-CG 4.04Å; F118-L141 HydrophobicContact CE2-CD2 4.49Å; L121-L141 HydrophobicContact CD1-CD1 3.72Å; L121-L141 HydrophobicContact CD1-CD2 4.47Å; L121-L141 HydrophobicContact CD2-CD1 4.23Å; L141-F161 HydrophobicContact CD2-CD1 3.81Å; L141-F161 HydrophobicContact CD2-CE1 4.35Å; L141-A162 HydrophobicContact CD2-CB 4.06Å; L141-M167 HydrophobicContact CB-CG 4.11Å; L141-M167 HydrophobicContact CB-SD 3.78Å; L141-P168 PolarHBondContact N-O 3.33Å; L141-L169 HydrophobicContact CB-CD1 4.19Å; L141-L169 HydrophobicContact CD2-CD1 3.89Å; L141-L169 HydrophobicContact CG-CD1 3.81Å; L141-L169 CarbonylContact O-C 3.54Å; L141-L169 WeakPolarHBondContact O-CA 3.1Å; L141-F170 PolarHBondContact O-N 2.82Å
142V98.6Very high95.3Very high4 Ų444.4 Ų44.42%0.02428%0.277CS..EExtended strand (participates in β ladder)trans-122.5113.6177.7-176.20000109.9L45 I107 F108 V109 Y110 I140 N144 F170 T172 I186L45-V142 HydrophobicContact CD1-CG1 3.97Å; I107-V142 HydrophobicContact CG2-CG2 3.91Å; F108-V142 PolarHBondContact O-N 2.88Å; V109-V142 WeakPolarHBondContact CA-O 3.49Å; V109-V142 HydrophobicContact CG2-CB 4.46Å; Y110-V142 WeakPolarHBondContact CD1-O 3.21Å; Y110-V142 PolarHBondContact N-O 3.12Å; I140-V142 HydrophobicContact CD1-CG2 4.22Å; V142-N144 PolarHBondContact O-N 3.02Å; V142-F170 CarbonylContact C-O 3.58Å; V142-F170 VanDerWaalsContact CA-O 3.29Å; V142-F170 WeakPolarHBondContact CA-O 3.43Å; V142-T172 HydrophobicContact CG1-CG2 3.92Å; V142-I186 HydrophobicContact CG2-CG2 4.24Å
143G98.5Very high95.5Very high0 Ų042.1 Ų42.10%025%0.253CS..EExtended strand (participates in β ladder)trans-82.8107164.200000109.4Y110 F170 I171 T172Y110-G143 VanDerWaalsContact CZ-CA 3.41Å; G143-F170 PolarHBondContact N-O 3.26Å; G143-I171 CarbonylContact O-C 3.52Å; G143-I171 VanDerWaalsContact O-CA 3.3Å; G143-I171 WeakPolarHBondContact O-CA 3.32Å; G143-T172 PolarHBondContact O-N 2.67Å
144N98.6Very high95.7Very high3 Ų343.7 Ų43.72%0.01627%0.265CS..EExtended strand (participates in β ladder)trans-96.4164.8-178-170.938.1000111.8V40 L45 V109 Y110 V112 V142 T172 A174V40-N144 PolarHBondContact O-ND2 3.33Å; L45-N144 HydrophobicContact CD1-CB 4.15Å; V109-N144 HydrophobicContact CG1-CB 3.98Å; Y110-N144 PolarHBondContact O-N 3.08Å; V112-N144 WeakPolarHBondContact CG2-O 3.39Å; V112-N144 PolarHBondContact N-O 2.88Å; V142-N144 PolarHBondContact O-N 3.02Å; N144-T172 CarbonylContact C-O 3.32Å; N144-T172 VanDerWaalsContact C-O 3.32Å; N144-T172 VanDerWaalsContact CA-O 3.28Å; N144-T172 WeakPolarHBondContact CA-O 3.46Å; N144-A174 PolarHBondContact OD1-N 3.4Å
145K97.7Very high95.8Very high47 Ų4745.2 Ų45.220%0.20428%0.277CS..  trans69.238.2177.7-44.6-167.2-162.9164.90114.6N39 D111 V112 D147 I148 T172N39-K145 WeakPolarHBondContact O-CE 2.8Å; N39-K145 PolarHBondContact O-NZ 3.05Å; D111-K145 VanDerWaalsContact OD2-CD 3.31Å; D111-K145 WeakPolarHBondContact OD2-CD 3.3Å; D111-K145 VanDerWaalsContact OD2-CE 3.23Å; D111-K145 WeakPolarHBondContact OD2-CE 3.47Å; D111-K145 IonicContact OD2-NZ 3.07Å; D111-K145 PolarHBondContact OD2-NZ 3.48Å; V112-K145 WeakPolarHBondContact CG2-O 3.46Å; K145-D147 WeakPolarHBondContact CA-OD1 2.87Å; K145-D147 PolarHBondContact O-N 2.8Å; K145-D147 VanDerWaalsContact O-N 3.12Å; K145-I148 HydrophobicContact CB-CD1 3.84Å; K145-I148 HydrophobicContact CB-CG1 4.19Å; K145-I148 HydrophobicContact CD-CD1 3.76Å; K145-I148 HydrophobicContact CG-CD1 4.49Å; K145-I148 WeakPolarHBondContact O-CB 3.46Å; K145-I148 PolarHBondContact O-N 3.26Å; K145-T172 PolarHBondContact N-O 2.75Å
146C97.1Very high96.1Very high46 Ų4648.3 Ų48.331%0.31128%0.277SS..THydrogen-bonded Turntrans-63.4-10.7172.568.80000114I148 I171 T172 S173C146-I148 PolarHBondContact O-N 3.45Å; C146-I171 HydrophobicContact CB-CG2 3.82Å; C146-T172 PolarHBondContact N-O 3.36Å; C146-T172 VanDerWaalsContact N-O 3.12Å; C146-T172 PolarHBondContact SG-O 3.3Å; C146-T172 VanDerWaalsContact SG-O 3.37Å; C146-S173 PolarHBondContact SG-N 3.06Å; C146-S173 VanDerWaalsContact SG-N 3.44Å
147D97.2Very high96.4Very high54 Ų5447.6 Ų47.629%0.28927%0.267SS..THydrogen-bonded Turntrans-68.8-18.1170.763.9-67.8000113.1K145 P149 S173 D176K145-D147 WeakPolarHBondContact CA-OD1 2.87Å; K145-D147 PolarHBondContact O-N 2.8Å; K145-D147 VanDerWaalsContact O-N 3.12Å; D147-P149 WeakPolarHBondContact O-CD 3.47Å; D147-S173 VanDerWaalsContact CG-OG 3.24Å; D147-S173 VanDerWaalsContact OD1-CB 3.28Å; D147-S173 WeakPolarHBondContact OD1-CB 3.35Å; D147-S173 PolarHBondContact OD1-OG 2.74Å; D147-D176 HydrophobicContact CB-CB 4.26Å
148I95.9Very high96.6Very high52 Ų5246.6 Ų46.627%0.26726%0.26SS..SBendtrans-81.9119.9176.6-60.2177.5000108.9K145 C146 T150K145-I148 HydrophobicContact CB-CD1 3.84Å; K145-I148 HydrophobicContact CB-CG1 4.19Å; K145-I148 HydrophobicContact CD-CD1 3.76Å; K145-I148 HydrophobicContact CG-CD1 4.49Å; K145-I148 WeakPolarHBondContact O-CB 3.46Å; K145-I148 PolarHBondContact O-N 3.26Å; C146-I148 PolarHBondContact O-N 3.45Å; I148-T150 PolarHBondContact O-N 3.37Å
149P92.4Very high96.7Very high124 Ų12448.7 Ų48.781%0.80527%0.268SS*.SBendtrans-63.5-26.7-175.6-24.934.7000114.5D147 V151D147-P149 WeakPolarHBondContact O-CD 3.47Å; P149-V151 PolarHBondContact O-N 3Å; P149-V151 VanDerWaalsContact O-N 3.12Å
150T93.3Very high96.8Very high91 Ų9155.7 Ų55.756%0.55829%0.293SS*.  trans-80.890.1179.6-52.50000110S113 I148 Q152S113-T150 WeakPolarHBondContact CA-O 3.36Å; S113-T150 WeakPolarHBondContact CB-O 3.42Å; I148-T150 PolarHBondContact O-N 3.37Å; T150-Q152 HydrophobicContact CG2-CG 4.4Å
151V92.6Very high96.9Very high87 Ų8756.9 Ų56.953%0.52730%0.298SS..  trans-84.4123.3171.9-179.40000109.5P149 V153P149-V151 PolarHBondContact O-N 3Å; P149-V151 VanDerWaalsContact O-N 3.12Å; V151-V153 WeakPolarHBondContact CG1-O 3.42Å
152Q96.8Very high96.9Very high99 Ų9956.9 Ų56.946%0.46330%0.298SS..  trans-106.1-12.8177.1-65.8-171.29.800113.5V112 S113 A115 T150V112-Q152 PolarHBondContact O-N 3.28Å; S113-Q152 VanDerWaalsContact O-CG 3.28Å; S113-Q152 WeakPolarHBondContact O-CG 3.27Å; S113-Q152 PolarHBondContact O-NE2 2.9Å; S113-Q152 VanDerWaalsContact O-NE2 3.14Å; A115-Q152 HydrophobicContact CB-CB 3.98Å; A115-Q152 VanDerWaalsContact N-OE1 3.14Å; T150-Q152 HydrophobicContact CG2-CG 4.4Å
153V95.6Very high96.8Very high3 Ų361.3 Ų61.32%0.01832%0.322CS..SBendtrans-125.2117.1177.3-176.80000107.7Y110 V112 A115 F118 V151 E157 A158Y110-V153 HydrophobicContact CE2-CB 4.06Å; Y110-V153 HydrophobicContact CE2-CG1 4.03Å; Y110-V153 HydrophobicContact CE2-CG2 4.39Å; V112-V153 PolarHBondContact O-N 2.89Å; A115-V153 HydrophobicContact CB-CG2 4.09Å; F118-V153 HydrophobicContact CB-CG1 4.35Å; F118-V153 HydrophobicContact CB-CG2 3.72Å; F118-V153 HydrophobicContact CD1-CG1 3.86Å; F118-V153 HydrophobicContact CD1-CG2 4.32Å; F118-V153 HydrophobicContact CD2-CG1 3.92Å; F118-V153 HydrophobicContact CE1-CG1 4.07Å; F118-V153 HydrophobicContact CE2-CG1 4.14Å; F118-V153 HydrophobicContact CG-CG1 3.78Å; F118-V153 HydrophobicContact CG-CG2 4.05Å; F118-V153 HydrophobicContact CZ-CG1 4.21Å; V151-V153 WeakPolarHBondContact CG1-O 3.42Å; V153-E157 HydrophobicContact CG1-CB 4.49Å; V153-A158 HydrophobicContact CG1-CB 4.36Å
154S95.5Very high96.8Very high45 Ų4568 Ų6832%0.31535%0.354SS..  trans-72.7152-178.496.90000111E156 E157 A158S154-E156 WeakPolarHBondContact CB-OE2 3.31Å; S154-E156 PolarHBondContact O-N 2.86Å; S154-E156 PolarHBondContact OG-N 2.87Å; S154-E156 PolarHBondContact OG-OE2 2.86Å; S154-E157 PolarHBondContact O-N 2.83Å; S154-E157 VanDerWaalsContact O-N 3.14Å; S154-E157 PolarHBondContact OG-N 2.85Å; S154-E157 VanDerWaalsContact OG-N 3.16Å; S154-A158 PolarHBondContact O-N 3.21Å
155T96.2Very high96.7Very high73 Ų7369.7 Ų69.745%0.44836%0.361SS..Hα-helixtrans-58.6-35176.3-54.80000111.2A158 Q159 L169 I171T155-A158 PolarHBondContact O-N 3.34Å; T155-Q159 WeakPolarHBondContact O-CB 3.33Å; T155-Q159 PolarHBondContact O-N 3.15Å; T155-L169 HydrophobicContact CG2-CD2 4.31Å; T155-I171 HydrophobicContact CG2-CG1 4.31Å
156E97.7Very high96.7Very high122 Ų12274.6 Ų74.657%0.5739%0.39SS*.Hα-helixtrans-70.4-34.2178.4-54.173.3-158.100112.6S154 R160S154-E156 WeakPolarHBondContact CB-OE2 3.31Å; S154-E156 PolarHBondContact O-N 2.86Å; S154-E156 PolarHBondContact OG-N 2.87Å; S154-E156 PolarHBondContact OG-OE2 2.86Å; E156-R160 WeakPolarHBondContact O-CG 3.45Å; E156-R160 PolarHBondContact O-N 3.02Å; E156-R160 PolarHBondContact O-NE 3.01Å
157E98Very high96.6Very high83 Ų8372.7 Ų72.739%0.38838%0.376SS..Hα-helixtrans-67.9-47.9172.1-175.6178.7-178.300110.9F118 V153 S154 Q159 R160 F161F118-E157 HydrophobicContact CE1-CG 4.05Å; F118-E157 HydrophobicContact CZ-CG 4.43Å; V153-E157 HydrophobicContact CG1-CB 4.49Å; S154-E157 PolarHBondContact O-N 2.83Å; S154-E157 VanDerWaalsContact O-N 3.14Å; S154-E157 PolarHBondContact OG-N 2.85Å; S154-E157 VanDerWaalsContact OG-N 3.16Å; E157-Q159 VanDerWaalsContact C-N 3.31Å; E157-Q159 PolarHBondContact O-N 3.12Å; E157-R160 PolarHBondContact O-N 3.34Å; E157-F161 PolarHBondContact O-N 3.5Å; E157-F161 VanDerWaalsContact O-N 3.15Å
158A98.3Very high96.6Very high0 Ų072.9 Ų72.90%038%0.38CS..Hα-helixtrans-61.8-39.1176.600000112.4Y110 F118 V153 S154 T155 F161 A162 L169Y110-A158 HydrophobicContact CE1-CB 4.43Å; Y110-A158 WeakPolarHBondContact OH-CB 3.36Å; F118-A158 HydrophobicContact CE2-CB 3.98Å; F118-A158 HydrophobicContact CZ-CB 4.39Å; V153-A158 HydrophobicContact CG1-CB 4.36Å; S154-A158 PolarHBondContact O-N 3.21Å; T155-A158 PolarHBondContact O-N 3.34Å; A158-F161 PolarHBondContact O-N 2.8Å; A158-A162 WeakPolarHBondContact O-CB 3.29Å; A158-A162 PolarHBondContact O-N 3.45Å; A158-L169 HydrophobicContact CB-CD1 4.15Å; A158-L169 HydrophobicContact CB-CD2 3.76Å
159Q98.6Very high96.7Very high71 Ų7171.5 Ų71.533%0.33237%0.373SS..Hα-helixtrans-66.1-44.5179.3-173.163.256.800111T155 E157 F161 A162 D163 L169T155-Q159 WeakPolarHBondContact O-CB 3.33Å; T155-Q159 PolarHBondContact O-N 3.15Å; E157-Q159 VanDerWaalsContact C-N 3.31Å; E157-Q159 PolarHBondContact O-N 3.12Å; Q159-F161 VanDerWaalsContact C-N 3.28Å; Q159-F161 PolarHBondContact O-N 3.47Å; Q159-A162 WeakPolarHBondContact O-CB 3.43Å; Q159-A162 PolarHBondContact O-N 3.33Å; Q159-A162 VanDerWaalsContact O-N 3.12Å; Q159-D163 PolarHBondContact NE2-OD1 2.9Å; Q159-D163 WeakPolarHBondContact O-CB 3.24Å; Q159-D163 PolarHBondContact O-N 2.88Å; Q159-L169 HydrophobicContact CB-CD2 4.03Å
160R98.6Very high97Very high164 Ų16467.8 Ų67.862%0.61935%0.345SS*.Hα-helixtrans-58.6-41.2175.4-78.9179.1-74146.5-6.4112.2E156 E157 Q164E156-R160 WeakPolarHBondContact O-CG 3.45Å; E156-R160 PolarHBondContact O-N 3.02Å; E156-R160 PolarHBondContact O-NE 3.01Å; E157-R160 PolarHBondContact O-N 3.34Å; R160-Q164 WeakPolarHBondContact O-CB 3.37Å; R160-Q164 PolarHBondContact O-N 3.47Å
161F98.6Very high97.2Very high26 Ų2665.5 Ų65.511%0.11433%0.328CS..Hα-helixtrans-65-43.4175.1-179.7-86.1000111.8F118 L121 P122 I125 L141 E157 A158 Q159 Q164 H165F118-F161 HydrophobicContact CE2-CB 4.26Å; F118-F161 HydrophobicContact CE2-CD1 4.37Å; F118-F161 HydrophobicContact CE2-CG 4.28Å; F118-F161 HydrophobicContact CZ-CB 3.63Å; F118-F161 HydrophobicContact CZ-CD1 4.41Å; F118-F161 HydrophobicContact CZ-CD2 4.31Å; F118-F161 AromaticContact CZ-CG 3.87Å; F118-F161 HydrophobicContact CZ-CG 3.87Å; L121-F161 HydrophobicContact CB-CE1 3.94Å; L121-F161 HydrophobicContact CB-CE2 4.34Å; L121-F161 HydrophobicContact CB-CZ 3.55Å; L121-F161 HydrophobicContact CD1-CD1 4.27Å; L121-F161 HydrophobicContact CD1-CE1 3.82Å; L121-F161 HydrophobicContact CD1-CZ 4.21Å; P122-F161 HydrophobicContact CG-CE2 4.11Å; I125-F161 HydrophobicContact CD1-CE1 4.15Å; I125-F161 HydrophobicContact CD1-CZ 3.64Å; L141-F161 HydrophobicContact CD2-CD1 3.81Å; L141-F161 HydrophobicContact CD2-CE1 4.35Å; E157-F161 PolarHBondContact O-N 3.5Å; E157-F161 VanDerWaalsContact O-N 3.15Å; A158-F161 PolarHBondContact O-N 2.8Å; Q159-F161 VanDerWaalsContact C-N 3.28Å; Q159-F161 PolarHBondContact O-N 3.47Å; F161-Q164 PolarHBondContact O-N 3.16Å; F161-H165 AromaticContact CD1-CD2 4Å; F161-H165 AromaticContact CE1-CD2 3.69Å; F161-H165 AromaticContact CE2-CD2 3.7Å; F161-H165 AromaticContact CE2-NE2 3.56Å; F161-H165 AromaticContact CZ-CD2 3.53Å; F161-H165 AromaticContact CZ-NE2 3.69Å; F161-H165 PolarHBondContact O-CD2 2.79Å; F161-H165 VanDerWaalsContact O-CD2 3.23Å; F161-H165 PolarHBondContact O-N 2.82Å
162A98.4Very high97.5Very high0 Ų061.3 Ų61.30%030%0.303CS..Hα-helixtrans-62.8-44.9178.900000111.8L141 A158 Q159 H165 D166 M167 L169L141-A162 HydrophobicContact CD2-CB 4.06Å; A158-A162 WeakPolarHBondContact O-CB 3.29Å; A158-A162 PolarHBondContact O-N 3.45Å; Q159-A162 WeakPolarHBondContact O-CB 3.43Å; Q159-A162 PolarHBondContact O-N 3.33Å; Q159-A162 VanDerWaalsContact O-N 3.12Å; A162-H165 CarbonylContact O-C 3.52Å; A162-H165 PolarHBondContact O-N 2.88Å; A162-D166 PolarHBondContact O-N 3.44Å; A162-D166 VanDerWaalsContact O-N 3.09Å; A162-M167 CarbonylContact C-O 3.44Å; A162-M167 HydrophobicContact CB-CG 4.27Å; A162-M167 VanDerWaalsContact CB-O 3.3Å; A162-M167 WeakPolarHBondContact CB-O 3.33Å; A162-M167 PolarHBondContact O-N 3.14Å; A162-L169 HydrophobicContact CB-CB 3.89Å
163D98.1Very high97.6Very high97 Ų9756.7 Ų56.752%0.51928%0.282SS..Hα-helixtrans-62.7-41.9176.6-64.9-20.1000111.5Q159 H165 D166Q159-D163 PolarHBondContact NE2-OD1 2.9Å; Q159-D163 WeakPolarHBondContact O-CB 3.24Å; Q159-D163 PolarHBondContact O-N 2.88Å; D163-H165 PolarHBondContact O-N 2.75Å; D163-D166 PolarHBondContact O-N 3Å
164Q97.9Very high97.7Very high142 Ų14256.6 Ų56.666%0.66428%0.281SS*.Hα-helixtrans-60.3-26.1177178.61770.700113R160 F161R160-Q164 WeakPolarHBondContact O-CB 3.37Å; R160-Q164 PolarHBondContact O-N 3.47Å; F161-Q164 PolarHBondContact O-N 3.16Å
165H97.5Very high97.8Very high38 Ų3860.6 Ų60.618%0.17629%0.293CS..THydrogen-bonded Turntrans-114.116.9-176.7-66.7-63.5000113.4F134 F161 A162 D163 M167F134-H165 HydrophobicContact CZ-CB 4.29Å; F134-H165 AromaticContact CZ-ND1 3.77Å; F161-H165 AromaticContact CD1-CD2 4Å; F161-H165 AromaticContact CE1-CD2 3.69Å; F161-H165 AromaticContact CE2-CD2 3.7Å; F161-H165 AromaticContact CE2-NE2 3.56Å; F161-H165 AromaticContact CZ-CD2 3.53Å; F161-H165 AromaticContact CZ-NE2 3.69Å; F161-H165 PolarHBondContact O-CD2 2.79Å; F161-H165 VanDerWaalsContact O-CD2 3.23Å; F161-H165 PolarHBondContact O-N 2.82Å; A162-H165 CarbonylContact O-C 3.52Å; A162-H165 PolarHBondContact O-N 2.88Å; D163-H165 PolarHBondContact O-N 2.75Å; H165-M167 VanDerWaalsContact C-N 3.28Å; H165-M167 HydrophobicContact CB-CE 3.45Å; H165-M167 VanDerWaalsContact CB-CE 3.45Å; H165-M167 PolarHBondContact O-N 3.16Å
166D95.9Very high97.8Very high150 Ų15060.3 Ų60.380%0.80229%0.289SS*.THydrogen-bonded Turntrans51.542.1175.8-62.6-64.1000113.8A162 D163A162-D166 PolarHBondContact O-N 3.44Å; A162-D166 VanDerWaalsContact O-N 3.09Å; D163-D166 PolarHBondContact O-N 3Å
167M96.3Very high97.8Very high6 Ų660.1 Ų60.13%0.0329%0.288CS..  trans-126.8138.6178.365.2-179.285.100112.2F108 I125 F134 M139 L141 A162 H165F108-M167 HydrophobicContact CD2-CE 3.97Å; F108-M167 HydrophobicContact CD2-SD 3.87Å; F108-M167 HydrophobicContact CE2-CE 3.98Å; F108-M167 HydrophobicContact CE2-SD 4.46Å; I125-M167 HydrophobicContact CD1-CE 4.47Å; F134-M167 HydrophobicContact CE2-CE 4.31Å; M139-M167 HydrophobicContact CB-CB 3.98Å; M139-M167 HydrophobicContact CB-CE 4.3Å; M139-M167 HydrophobicContact CB-SD 4.44Å; M139-M167 HydrophobicContact CE-CE 4.4Å; M139-M167 WeakPolarHBondContact O-CB 3.38Å; M139-M167 HydrophobicContact SD-CE 4.39Å; L141-M167 HydrophobicContact CB-CG 4.11Å; L141-M167 HydrophobicContact CB-SD 3.78Å; A162-M167 CarbonylContact C-O 3.44Å; A162-M167 HydrophobicContact CB-CG 4.27Å; A162-M167 VanDerWaalsContact CB-O 3.3Å; A162-M167 WeakPolarHBondContact CB-O 3.33Å; A162-M167 PolarHBondContact O-N 3.14Å; H165-M167 VanDerWaalsContact C-N 3.28Å; H165-M167 HydrophobicContact CB-CE 3.45Å; H165-M167 VanDerWaalsContact CB-CE 3.45Å; H165-M167 PolarHBondContact O-N 3.16Å
168P97Very high97.7Very high58 Ų5860 Ų6038%0.37730%0.301SS..  trans-63139.8172.3-22.333.4000112M139 I140 L141 F170M139-P168 VanDerWaalsContact O-CD 3.28Å; M139-P168 WeakPolarHBondContact O-CD 3.5Å; I140-P168 HydrophobicContact CG2-CG 4.37Å; L141-P168 PolarHBondContact N-O 3.33Å; P168-F170 HydrophobicContact CB-CE2 3.77Å; P168-F170 HydrophobicContact CB-CZ 4.14Å
169L98.3Very high97.6Very high22 Ų2261.9 Ų61.912%0.11531%0.31CS..EExtended strand (participates in β ladder)trans-96.7137.6171.4175.965.4000110.9Y110 L141 T155 A158 Q159 A162 I171Y110-L169 HydrophobicContact CE1-CD1 4.4Å; L141-L169 HydrophobicContact CB-CD1 4.19Å; L141-L169 HydrophobicContact CD2-CD1 3.89Å; L141-L169 HydrophobicContact CG-CD1 3.81Å; L141-L169 CarbonylContact O-C 3.54Å; L141-L169 WeakPolarHBondContact O-CA 3.1Å; T155-L169 HydrophobicContact CG2-CD2 4.31Å; A158-L169 HydrophobicContact CB-CD1 4.15Å; A158-L169 HydrophobicContact CB-CD2 3.76Å; Q159-L169 HydrophobicContact CB-CD2 4.03Å; A162-L169 HydrophobicContact CB-CB 3.89Å; L169-I171 HydrophobicContact CD1-CD1 3.86Å; L169-I171 HydrophobicContact CD2-CD1 4.26Å; L169-I171 HydrophobicContact CG-CD1 4.18Å; L169-I171 HydrophobicContact CG-CG1 4.49Å
170F98.4Very high97.5Very high47 Ų4759.4 Ų59.421%0.20630%0.302CS..EExtended strand (participates in β ladder)trans-132137.9166.6-57.5-84.8000110.5I140 L141 V142 G143 P168 I186 T189I140-F170 HydrophobicContact CB-CE2 4.45Å; I140-F170 HydrophobicContact CG2-CE2 4.25Å; L141-F170 PolarHBondContact O-N 2.82Å; V142-F170 CarbonylContact C-O 3.58Å; V142-F170 VanDerWaalsContact CA-O 3.29Å; V142-F170 WeakPolarHBondContact CA-O 3.43Å; G143-F170 PolarHBondContact N-O 3.26Å; P168-F170 HydrophobicContact CB-CE2 3.77Å; P168-F170 HydrophobicContact CB-CZ 4.14Å; F170-I186 HydrophobicContact CB-CD1 3.53Å; F170-I186 HydrophobicContact CB-CG1 3.72Å; F170-I186 HydrophobicContact CD1-CD1 4.39Å; F170-I186 HydrophobicContact CD1-CG1 3.69Å; F170-I186 HydrophobicContact CD2-CG1 4.14Å; F170-I186 HydrophobicContact CD2-CG2 3.95Å; F170-I186 HydrophobicContact CE1-CG1 4.3Å; F170-I186 HydrophobicContact CE2-CG2 4.33Å; F170-I186 HydrophobicContact CG-CB 4.48Å; F170-I186 HydrophobicContact CG-CD1 4.01Å; F170-I186 HydrophobicContact CG-CG1 3.59Å; F170-I186 HydrophobicContact CG-CG2 4.26Å; F170-T189 HydrophobicContact CZ-CG2 4.33Å
171I97.9Very high97.4Very high42 Ų4257.7 Ų57.722%0.21531%0.305CS..EExtended strand (participates in β ladder)trans-112.9125.2175.5-56.6-58.8000108.6Y110 V112 G143 C146 T155 L169 Q182Y110-I171 WeakPolarHBondContact OH-CD1 3.25Å; V112-I171 HydrophobicContact CG1-CD1 4.34Å; V112-I171 HydrophobicContact CG1-CG2 4.33Å; G143-I171 CarbonylContact O-C 3.52Å; G143-I171 VanDerWaalsContact O-CA 3.3Å; G143-I171 WeakPolarHBondContact O-CA 3.32Å; C146-I171 HydrophobicContact CB-CG2 3.82Å; T155-I171 HydrophobicContact CG2-CG1 4.31Å; L169-I171 HydrophobicContact CD1-CD1 3.86Å; L169-I171 HydrophobicContact CD2-CD1 4.26Å; L169-I171 HydrophobicContact CG-CD1 4.18Å; L169-I171 HydrophobicContact CG-CG1 4.49Å; I171-Q182 PolarHBondContact O-NE2 3.37Å
172T98.2Very high97.3Very high0 Ų059.8 Ų59.80%032%0.315CS..  trans-154.8179.7-175.3-164.90000112.6L45 V142 G143 N144 K145 C146 E179 I183 I186L45-T172 HydrophobicContact CD2-CG2 3.96Å; V142-T172 HydrophobicContact CG1-CG2 3.92Å; G143-T172 PolarHBondContact O-N 2.67Å; N144-T172 CarbonylContact C-O 3.32Å; N144-T172 VanDerWaalsContact C-O 3.32Å; N144-T172 VanDerWaalsContact CA-O 3.28Å; N144-T172 WeakPolarHBondContact CA-O 3.46Å; K145-T172 PolarHBondContact N-O 2.75Å; C146-T172 PolarHBondContact N-O 3.36Å; C146-T172 VanDerWaalsContact N-O 3.12Å; C146-T172 PolarHBondContact SG-O 3.3Å; C146-T172 VanDerWaalsContact SG-O 3.37Å; T172-E179 VanDerWaalsContact CA-OE2 3.32Å; T172-E179 WeakPolarHBondContact CA-OE2 3.2Å; T172-E179 WeakPolarHBondContact CB-OE2 3.43Å; T172-E179 PolarHBondContact OG1-OE2 2.78Å; T172-I183 HydrophobicContact CG2-CG1 4Å; T172-I186 HydrophobicContact CG2-CD1 3.92Å
173S98.2Very high97.2Very high1 Ų159.9 Ų59.91%0.00732%0.315CS..  trans-130121.2168.51780000110.9C146 D147 K175 D176 E179 I183C146-S173 PolarHBondContact SG-N 3.06Å; C146-S173 VanDerWaalsContact SG-N 3.44Å; D147-S173 VanDerWaalsContact CG-OG 3.24Å; D147-S173 VanDerWaalsContact OD1-CB 3.28Å; D147-S173 WeakPolarHBondContact OD1-CB 3.35Å; D147-S173 PolarHBondContact OD1-OG 2.74Å; S173-K175 PolarHBondContact O-N 3.09Å; S173-K175 PolarHBondContact OG-N 3.26Å; S173-D176 PolarHBondContact OG-N 3.06Å; S173-D176 VanDerWaalsContact OG-N 3.07Å; S173-E179 WeakPolarHBondContact O-CB 3.35Å; S173-I183 WeakPolarHBondContact O-CD1 3.38Å
174A97.8Very high97.2Very high1 Ų158.1 Ų58.11%0.00831%0.308CS..SBendtrans-58.3-28.5167.300000112.8C44 L45 R48 F54 N144C44-A174 HydrophobicContact CB-CB 3.67Å; L45-A174 HydrophobicContact CD2-CB 3.86Å; L45-A174 HydrophobicContact CG-CB 4.04Å; R48-A174 WeakPolarHBondContact CD-O 3.46Å; R48-A174 PolarHBondContact NE-O 3.1Å; R48-A174 VanDerWaalsContact NE-O 3.11Å; F54-A174 HydrophobicContact CD2-CB 4.42Å; F54-A174 WeakPolarHBondContact CD2-O 3.16Å; F54-A174 HydrophobicContact CE2-CB 4.31Å; N144-A174 PolarHBondContact OD1-N 3.4Å
175K97.6Very high97.1Very high130 Ų13054.6 Ų54.657%0.56530%0.299SS*.SBendtrans-89.2-37.1-171.9-174.1-177.6172.5-165.70112.8F54 S173F54-K175 HydrophobicContact CD1-CG 4.49Å; F54-K175 HydrophobicContact CD2-CB 4.09Å; F54-K175 HydrophobicContact CD2-CG 4.48Å; F54-K175 HydrophobicContact CE1-CG 4.29Å; F54-K175 HydrophobicContact CE2-CB 3.81Å; F54-K175 HydrophobicContact CE2-CG 4.25Å; F54-K175 HydrophobicContact CZ-CB 4.15Å; F54-K175 HydrophobicContact CZ-CG 4.15Å; S173-K175 PolarHBondContact O-N 3.09Å; S173-K175 PolarHBondContact OG-N 3.26Å
176D97.4Very high97.1Very high66 Ų6653 Ų5335%0.35329%0.292SS..  trans-70.7132-180-162.7-19.2000110.9R48 D147 S173 A178 E179R48-D176 PolarHBondContact NH1-O 3.04Å; D147-D176 HydrophobicContact CB-CB 4.26Å; S173-D176 PolarHBondContact OG-N 3.06Å; S173-D176 VanDerWaalsContact OG-N 3.07Å; D176-A178 VanDerWaalsContact C-N 3.31Å; D176-A178 PolarHBondContact OD1-N 3.12Å; D176-E179 HydrophobicContact CB-CB 4.27Å; D176-E179 HydrophobicContact CB-CG 3.93Å; D176-E179 PolarHBondContact O-N 2.71Å
177E96.3Very high97.1Very high118 Ų11846.1 Ų46.155%0.55126%0.255SS*.G310 helixtrans-69.9-32.5177.1-161.360.3-121.800111.5R48 E179 A180R48-E177 IonicContact CZ-OE1 3.5Å; R48-E177 IonicContact CZ-OE2 3.65Å; R48-E177 IonicContact NH1-OE1 3.38Å; R48-E177 PolarHBondContact NH1-OE1 3.17Å; R48-E177 IonicContact NH1-OE2 3.9Å; R48-E177 IonicContact NH2-OE1 2.77Å; R48-E177 PolarHBondContact NH2-OE1 3.01Å; R48-E177 IonicContact NH2-OE2 2.65Å; R48-E177 PolarHBondContact NH2-OE2 3.11Å; E177-E179 PolarHBondContact O-N 3.26Å; E177-E179 VanDerWaalsContact O-N 3.13Å; E177-A180 VanDerWaalsContact O-CB 3.29Å; E177-A180 WeakPolarHBondContact O-CB 3.5Å; E177-A180 PolarHBondContact O-N 2.63Å; E177-A180 VanDerWaalsContact O-N 3.1Å
178A96.9Very high97.2Very high82 Ų8248.5 Ų48.568%0.67827%0.266SS*.G310 helixtrans-61.4-23.1178.300000112.7D176D176-A178 VanDerWaalsContact C-N 3.31Å; D176-A178 PolarHBondContact OD1-N 3.12Å
179E95.6Very high97.1Very high38 Ų3848.5 Ų48.518%0.17827%0.266CS..G310 helixtrans-91.10.1-178.2-68.2-68.1134.300113.4T172 S173 D176 E177 D181 Q182 I183T172-E179 VanDerWaalsContact CA-OE2 3.32Å; T172-E179 WeakPolarHBondContact CA-OE2 3.2Å; T172-E179 WeakPolarHBondContact CB-OE2 3.43Å; T172-E179 PolarHBondContact OG1-OE2 2.78Å; S173-E179 WeakPolarHBondContact O-CB 3.35Å; D176-E179 HydrophobicContact CB-CB 4.27Å; D176-E179 HydrophobicContact CB-CG 3.93Å; D176-E179 PolarHBondContact O-N 2.71Å; E177-E179 PolarHBondContact O-N 3.26Å; E177-E179 VanDerWaalsContact O-N 3.13Å; E179-D181 VanDerWaalsContact C-N 3.35Å; E179-D181 PolarHBondContact O-N 2.77Å; E179-Q182 PolarHBondContact O-N 3.23Å; E179-Q182 PolarHBondContact OE2-OE1 2.65Å; E179-I183 PolarHBondContact O-N 3.26Å
180A96.4Very high96.9Very high19 Ų1947.6 Ų47.616%0.15726%0.261CS..Hα-helixtrans-55.5-46.6-176.800000113.2R48 E177 Q182 I183 T184R48-A180 VanDerWaalsContact NH1-CB 3.26Å; E177-A180 VanDerWaalsContact O-CB 3.29Å; E177-A180 WeakPolarHBondContact O-CB 3.5Å; E177-A180 PolarHBondContact O-N 2.63Å; E177-A180 VanDerWaalsContact O-N 3.1Å; A180-Q182 VanDerWaalsContact C-N 3.33Å; A180-I183 PolarHBondContact O-N 2.86Å; A180-T184 PolarHBondContact O-N 3.07Å; A180-T184 VanDerWaalsContact O-N 3.07Å; A180-T184 PolarHBondContact O-OG1 2.85Å
181D96.6Very high96.8Very high128 Ų12845.4 Ų45.468%0.68425%0.252SS*.Hα-helixtrans-70.9-33.7-177.9-70.9-19.4000111.3E179 T184 S185E179-D181 VanDerWaalsContact C-N 3.35Å; E179-D181 PolarHBondContact O-N 2.77Å; D181-T184 PolarHBondContact O-N 3.31Å; D181-S185 WeakPolarHBondContact O-CB 3.11Å; D181-S185 PolarHBondContact O-N 3.02Å; D181-S185 PolarHBondContact O-OG 2.5Å
182Q96.1Very high96.6Very high71 Ų7146.3 Ų46.333%0.33226%0.255SS..Hα-helixtrans-66-45.6175.3-177.8165.1-13.700111I171 E179 A180 T184 S185 I186I171-Q182 PolarHBondContact O-NE2 3.37Å; E179-Q182 PolarHBondContact O-N 3.23Å; E179-Q182 PolarHBondContact OE2-OE1 2.65Å; A180-Q182 VanDerWaalsContact C-N 3.33Å; Q182-T184 VanDerWaalsContact C-N 3.31Å; Q182-T184 PolarHBondContact O-N 3.15Å; Q182-S185 WeakPolarHBondContact O-CB 3.03Å; Q182-S185 PolarHBondContact O-N 2.98Å; Q182-S185 VanDerWaalsContact O-N 3.09Å; Q182-I186 HydrophobicContact CG-CD1 4.16Å; Q182-I186 HydrophobicContact CG-CG1 4.48Å; Q182-I186 VanDerWaalsContact O-CG1 3.27Å; Q182-I186 WeakPolarHBondContact O-CG1 3.05Å; Q182-I186 PolarHBondContact O-N 2.82Å
183I97.5Very high96.4Very high1 Ų148.7 Ų48.71%0.00527%0.267CS..Hα-helixtrans-57.4-47173.8-71.3166.9000110.4L45 R48 F49 T172 S173 E179 A180 S185 I186 Y187L45-I183 HydrophobicContact CD2-CD1 3.99Å; L45-I183 HydrophobicContact CD2-CG1 4.12Å; R48-I183 VanDerWaalsContact CD-CD1 3.49Å; R48-I183 HydrophobicContact CG-CD1 4.09Å; R48-I183 HydrophobicContact CG-CG2 4.38Å; F49-I183 HydrophobicContact CB-CG2 4.22Å; T172-I183 HydrophobicContact CG2-CG1 4Å; S173-I183 WeakPolarHBondContact O-CD1 3.38Å; E179-I183 PolarHBondContact O-N 3.26Å; A180-I183 PolarHBondContact O-N 2.86Å; I183-S185 VanDerWaalsContact C-N 3.27Å; I183-S185 PolarHBondContact O-N 3.26Å; I183-I186 PolarHBondContact O-N 3.48Å; I183-Y187 HydrophobicContact CG2-CD2 3.92Å; I183-Y187 HydrophobicContact CG2-CE2 3.94Å; I183-Y187 WeakPolarHBondContact O-CD2 3.45Å; I183-Y187 PolarHBondContact O-N 3.06Å; I183-Y187 VanDerWaalsContact O-N 3.16Å
184T96.9Very high96.1Very high60 Ų6048.8 Ų48.837%0.36827%0.267SS..Hα-helixtrans-56.6-44176.1-610000111.4A180 D181 Q182 Y187 M188A180-T184 PolarHBondContact O-N 3.07Å; A180-T184 VanDerWaalsContact O-N 3.07Å; A180-T184 PolarHBondContact O-OG1 2.85Å; D181-T184 PolarHBondContact O-N 3.31Å; Q182-T184 VanDerWaalsContact C-N 3.31Å; Q182-T184 PolarHBondContact O-N 3.15Å; T184-Y187 PolarHBondContact O-N 2.91Å; T184-M188 HydrophobicContact CG2-CG 4.21Å; T184-M188 WeakPolarHBondContact O-CB 3.48Å; T184-M188 VanDerWaalsContact O-CG 3.24Å; T184-M188 WeakPolarHBondContact O-CG 3.47Å; T184-M188 PolarHBondContact O-N 3Å
185S96.8Very high95.8Very high68 Ų6849.4 Ų49.448%0.47627%0.27SS..Hα-helixtrans-65.4-39.3179.3-58.90000113.3D181 Q182 I183 M188 T189D181-S185 WeakPolarHBondContact O-CB 3.11Å; D181-S185 PolarHBondContact O-N 3.02Å; D181-S185 PolarHBondContact O-OG 2.5Å; Q182-S185 WeakPolarHBondContact O-CB 3.03Å; Q182-S185 PolarHBondContact O-N 2.98Å; Q182-S185 VanDerWaalsContact O-N 3.09Å; I183-S185 VanDerWaalsContact C-N 3.27Å; I183-S185 PolarHBondContact O-N 3.26Å; S185-M188 PolarHBondContact O-N 3.46Å; S185-T189 WeakPolarHBondContact O-CB 3.28Å; S185-T189 PolarHBondContact O-N 2.7Å; S185-T189 PolarHBondContact O-OG1 3.13Å
186I97.3Very high95.3Very high5 Ų549.6 Ų49.63%0.02627%0.271CS..Hα-helixtrans-59.1-52.5175.8-67166.2000110.1I140 V142 F170 T172 Q182 I183 T189 L190I140-I186 HydrophobicContact CD1-CG2 3.74Å; V142-I186 HydrophobicContact CG2-CG2 4.24Å; F170-I186 HydrophobicContact CB-CD1 3.53Å; F170-I186 HydrophobicContact CB-CG1 3.72Å; F170-I186 HydrophobicContact CD1-CD1 4.39Å; F170-I186 HydrophobicContact CD1-CG1 3.69Å; F170-I186 HydrophobicContact CD2-CG1 4.14Å; F170-I186 HydrophobicContact CD2-CG2 3.95Å; F170-I186 HydrophobicContact CE1-CG1 4.3Å; F170-I186 HydrophobicContact CE2-CG2 4.33Å; F170-I186 HydrophobicContact CG-CB 4.48Å; F170-I186 HydrophobicContact CG-CD1 4.01Å; F170-I186 HydrophobicContact CG-CG1 3.59Å; F170-I186 HydrophobicContact CG-CG2 4.26Å; T172-I186 HydrophobicContact CG2-CD1 3.92Å; Q182-I186 HydrophobicContact CG-CD1 4.16Å; Q182-I186 HydrophobicContact CG-CG1 4.48Å; Q182-I186 VanDerWaalsContact O-CG1 3.27Å; Q182-I186 WeakPolarHBondContact O-CG1 3.05Å; Q182-I186 PolarHBondContact O-N 2.82Å; I183-I186 PolarHBondContact O-N 3.48Å; I186-T189 WeakPolarHBondContact O-CB 3.47Å; I186-T189 PolarHBondContact O-N 3.38Å; I186-L190 PolarHBondContact O-N 2.75Å; I186-L190 VanDerWaalsContact O-N 3.13Å
187Y96.9Very high94.5Very high6 Ų650.2 Ų50.22%0.02427%0.274CS..Hα-helixtrans-68.6-38.3-178.7-80-86.1000112.1S46 F49 F82 I107 I183 T184 T189 L190 V191S46-Y187 WeakPolarHBondContact CA-OH 3.28Å; S46-Y187 PolarHBondContact N-OH 3.35Å; F49-Y187 HydrophobicContact CB-CD1 4.37Å; F49-Y187 HydrophobicContact CB-CD2 3.55Å; F49-Y187 HydrophobicContact CB-CE1 4.48Å; F49-Y187 HydrophobicContact CB-CE2 3.69Å; F49-Y187 HydrophobicContact CB-CG 3.91Å; F49-Y187 AromaticContact CD1-CD1 3.74Å; F49-Y187 HydrophobicContact CD1-CD1 3.74Å; F49-Y187 HydrophobicContact CD1-CD2 4.27Å; F49-Y187 HydrophobicContact CD1-CE1 4.29Å; F49-Y187 AromaticContact CD1-CG 3.72Å; F49-Y187 HydrophobicContact CD1-CG 3.72Å; F49-Y187 AromaticContact CD2-CD2 3.86Å; F49-Y187 HydrophobicContact CD2-CD2 3.86Å; F49-Y187 AromaticContact CD2-CG 3.68Å; F49-Y187 HydrophobicContact CD2-CG 3.68Å; F49-Y187 HydrophobicContact CE1-CD1 4.13Å; F49-Y187 HydrophobicContact CE1-CG 4.13Å; F49-Y187 HydrophobicContact CE2-CG 4.1Å; F49-Y187 AromaticContact CG-CD1 3.95Å; F49-Y187 HydrophobicContact CG-CD1 3.95Å; F49-Y187 AromaticContact CG-CD2 3.62Å; F49-Y187 HydrophobicContact CG-CD2 3.62Å; F49-Y187 HydrophobicContact CG-CE1 4.49Å; F49-Y187 HydrophobicContact CG-CE2 4.21Å; F49-Y187 AromaticContact CG-CG 3.46Å; F49-Y187 HydrophobicContact CG-CG 3.46Å; F49-Y187 VanDerWaalsContact CG-CG 3.46Å; F49-Y187 HydrophobicContact CZ-CG 4.29Å; F82-Y187 HydrophobicContact CD1-CD1 4.38Å; F82-Y187 AromaticContact CD1-CE1 3.8Å; F82-Y187 HydrophobicContact CD1-CE1 3.8Å; F82-Y187 AromaticContact CE1-CD1 3.4Å; F82-Y187 HydrophobicContact CE1-CD1 3.4Å; F82-Y187 AromaticContact CE1-CE1 3.24Å; F82-Y187 HydrophobicContact CE1-CE1 3.24Å; F82-Y187 AromaticContact CZ-CD1 3.47Å; F82-Y187 HydrophobicContact CZ-CD1 3.47Å; F82-Y187 VanDerWaalsContact CZ-CD1 3.47Å; F82-Y187 AromaticContact CZ-CE1 3.65Å; F82-Y187 HydrophobicContact CZ-CE1 3.65Å; I107-Y187 HydrophobicContact CD1-CD1 4.15Å; I107-Y187 HydrophobicContact CD1-CE1 3.52Å; I183-Y187 HydrophobicContact CG2-CD2 3.92Å; I183-Y187 HydrophobicContact CG2-CE2 3.94Å; I183-Y187 WeakPolarHBondContact O-CD2 3.45Å; I183-Y187 PolarHBondContact O-N 3.06Å; I183-Y187 VanDerWaalsContact O-N 3.16Å; T184-Y187 PolarHBondContact O-N 2.91Å; Y187-T189 VanDerWaalsContact C-N 3.32Å; Y187-T189 PolarHBondContact O-N 3.33Å; Y187-L190 WeakPolarHBondContact O-CB 3.3Å; Y187-L190 PolarHBondContact O-N 3.32Å; Y187-V191 VanDerWaalsContact O-CG2 3.31Å; Y187-V191 WeakPolarHBondContact O-CG2 3.27Å; Y187-V191 PolarHBondContact O-N 3.46Å
188M96.4Very high93Very high55 Ų5553.2 Ų53.227%0.27129%0.285SS..Hα-helixtrans-66.5-33.5175.5-71.3-57.1-65.700112.4V71 L73 T184 S185 L190 V191 H192V71-M188 HydrophobicContact CB-SD 4.42Å; V71-M188 HydrophobicContact CG1-SD 4.32Å; L73-M188 HydrophobicContact CD1-CE 4.06Å; T184-M188 HydrophobicContact CG2-CG 4.21Å; T184-M188 WeakPolarHBondContact O-CB 3.48Å; T184-M188 VanDerWaalsContact O-CG 3.24Å; T184-M188 WeakPolarHBondContact O-CG 3.47Å; T184-M188 PolarHBondContact O-N 3Å; S185-M188 PolarHBondContact O-N 3.46Å; M188-L190 VanDerWaalsContact C-N 3.34Å; M188-V191 PolarHBondContact O-N 3.11Å; M188-H192 WeakPolarHBondContact O-CB 3.43Å; M188-H192 PolarHBondContact O-N 2.81Å
189T95.4Very high91Very high59 Ų5952.2 Ų52.236%0.36227%0.272SS..Hα-helixtrans-60.6-45.1171.2-60.80000110.7F170 S185 I186 Y187 V191 H192 I193F170-T189 HydrophobicContact CZ-CG2 4.33Å; S185-T189 WeakPolarHBondContact O-CB 3.28Å; S185-T189 PolarHBondContact O-N 2.7Å; S185-T189 PolarHBondContact O-OG1 3.13Å; I186-T189 WeakPolarHBondContact O-CB 3.47Å; I186-T189 PolarHBondContact O-N 3.38Å; Y187-T189 VanDerWaalsContact C-N 3.32Å; Y187-T189 PolarHBondContact O-N 3.33Å; T189-V191 PolarHBondContact O-N 2.99Å; T189-H192 WeakPolarHBondContact O-CB 3.43Å; T189-H192 PolarHBondContact O-N 3.33Å; T189-I193 HydrophobicContact CG2-CD1 4.19Å; T189-I193 WeakPolarHBondContact O-CG1 3.32Å; T189-I193 PolarHBondContact O-N 3.09Å; T189-I193 VanDerWaalsContact O-N 3.09Å
190L95.5Very high89Confident2 Ų255 Ų551%0.0129%0.291CS..Hα-helixtrans-62-43.8175.7-16967.5000112.1V32 A105 I107 P138 I140 I186 Y187 M188 H192 I193 L194V32-L190 HydrophobicContact CG1-CD2 3.84Å; V32-L190 HydrophobicContact CG2-CD2 4.19Å; A105-L190 HydrophobicContact CB-CD1 3.87Å; A105-L190 HydrophobicContact CB-CD2 4.11Å; A105-L190 HydrophobicContact CB-CG 4.18Å; I107-L190 HydrophobicContact CD1-CD2 3.83Å; I107-L190 HydrophobicContact CG1-CD2 3.88Å; P138-L190 HydrophobicContact CB-CD1 4.38Å; I140-L190 HydrophobicContact CD1-CD1 4.49Å; I140-L190 HydrophobicContact CD1-CD2 4.38Å; I140-L190 HydrophobicContact CG2-CD1 4.06Å; I186-L190 PolarHBondContact O-N 2.75Å; I186-L190 VanDerWaalsContact O-N 3.13Å; Y187-L190 WeakPolarHBondContact O-CB 3.3Å; Y187-L190 PolarHBondContact O-N 3.32Å; M188-L190 VanDerWaalsContact C-N 3.34Å; L190-H192 VanDerWaalsContact C-N 3.31Å; L190-H192 PolarHBondContact O-N 2.95Å; L190-I193 PolarHBondContact O-N 3.04Å; L190-L194 HydrophobicContact CG-CD1 4.16Å; L190-L194 WeakPolarHBondContact O-CB 3.1Å; L190-L194 VanDerWaalsContact O-CG 3.3Å; L190-L194 WeakPolarHBondContact O-CG 3.08Å; L190-L194 PolarHBondContact O-N 2.89Å
191V94.8Very high87.2Confident2 Ų256.4 Ų56.41%0.01230%0.295CS..Hα-helixtrans-60.8-40.71771730000111.4V71 L73 L78 V80 Y187 M188 T189 L194 Q195V71-V191 HydrophobicContact CG2-CG1 3.64Å; V71-V191 HydrophobicContact CG2-CG2 4.15Å; L73-V191 HydrophobicContact CD2-CG1 3.84Å; L78-V191 HydrophobicContact CD1-CG1 3.71Å; V80-V191 HydrophobicContact CG2-CG2 3.68Å; Y187-V191 VanDerWaalsContact O-CG2 3.31Å; Y187-V191 WeakPolarHBondContact O-CG2 3.27Å; Y187-V191 PolarHBondContact O-N 3.46Å; M188-V191 PolarHBondContact O-N 3.11Å; T189-V191 PolarHBondContact O-N 2.99Å; V191-L194 CarbonylContact O-C 3.59Å; V191-L194 WeakPolarHBondContact O-CB 3.32Å; V191-L194 PolarHBondContact O-N 3.07Å; V191-Q195 WeakPolarHBondContact O-CB 3.25Å; V191-Q195 PolarHBondContact O-N 3.4Å
192H94.3Very high85.3Confident61 Ų6155 Ų5528%0.28229%0.291SS..Hα-helixtrans-62.3-43.8176.1-170.158.8000112.4L73 E74 M188 T189 L190 L194 Q195 K196L73-H192 HydrophobicContact CD2-CB 4.07Å; E74-H192 IonicContact OE1-CE1 3.34Å; M188-H192 WeakPolarHBondContact O-CB 3.43Å; M188-H192 PolarHBondContact O-N 2.81Å; T189-H192 WeakPolarHBondContact O-CB 3.43Å; T189-H192 PolarHBondContact O-N 3.33Å; L190-H192 VanDerWaalsContact C-N 3.31Å; L190-H192 PolarHBondContact O-N 2.95Å; H192-L194 VanDerWaalsContact C-N 3.34Å; H192-Q195 PolarHBondContact O-N 3.36Å; H192-K196 VanDerWaalsContact CE1-CE 3.43Å; H192-K196 WeakPolarHBondContact CE1-CE 3.38Å; H192-K196 VanDerWaalsContact NE2-CE 3.32Å; H192-K196 WeakPolarHBondContact NE2-CE 3.48Å; H192-K196 PolarHBondContact NE2-NZ 2.86Å; H192-K196 VanDerWaalsContact NE2-NZ 3.12Å; H192-K196 WeakPolarHBondContact O-CG 3.43Å; H192-K196 PolarHBondContact O-N 2.88Å
193I93Very high83.5Confident50 Ų5053.2 Ų53.226%0.25628%0.284SS..Hα-helixtrans-62.4-44.4175.7-63.4164.4000110.2P138 T189 L190 Q195 K196 N197P138-I193 HydrophobicContact CB-CG2 3.71Å; P138-I193 HydrophobicContact CG-CG2 3.45Å; P138-I193 VanDerWaalsContact CG-CG2 3.45Å; T189-I193 HydrophobicContact CG2-CD1 4.19Å; T189-I193 WeakPolarHBondContact O-CG1 3.32Å; T189-I193 PolarHBondContact O-N 3.09Å; T189-I193 VanDerWaalsContact O-N 3.09Å; L190-I193 PolarHBondContact O-N 3.04Å; I193-Q195 VanDerWaalsContact C-N 3.33Å; I193-Q195 PolarHBondContact O-N 3.25Å; I193-K196 PolarHBondContact O-N 3.34Å; I193-N197 WeakPolarHBondContact CG2-ND2 3.32Å; I193-N197 WeakPolarHBondContact O-CB 3.23Å; I193-N197 PolarHBondContact O-N 2.68Å; I193-N197 PolarHBondContact O-ND2 2.88Å
194L92.8Very high81.6Confident2 Ų256.5 Ų56.51%0.0131%0.305CS..Hα-helixtrans-63.7-33.9175.7-74.6168000113.1F30 V32 H104 A105 L190 V191 H192F30-L194 HydrophobicContact CB-CD1 3.95Å; F30-L194 HydrophobicContact CB-CD2 4.39Å; F30-L194 HydrophobicContact CD1-CB 4.15Å; F30-L194 HydrophobicContact CD1-CD2 3.95Å; F30-L194 HydrophobicContact CD1-CG 4.5Å; F30-L194 HydrophobicContact CD2-CB 4.14Å; F30-L194 HydrophobicContact CD2-CD1 4.46Å; F30-L194 HydrophobicContact CE1-CB 4.15Å; F30-L194 HydrophobicContact CE1-CD2 4.47Å; F30-L194 WeakPolarHBondContact CE1-O 3.12Å; F30-L194 HydrophobicContact CE2-CB 4.12Å; F30-L194 HydrophobicContact CG-CB 4.12Å; F30-L194 HydrophobicContact CG-CD1 4.13Å; F30-L194 HydrophobicContact CG-CD2 4.24Å; F30-L194 HydrophobicContact CG-CG 4.42Å; F30-L194 HydrophobicContact CZ-CB 4.11Å; F30-L194 WeakPolarHBondContact CZ-O 3.36Å; V32-L194 HydrophobicContact CG2-CD1 4.09Å; H104-L194 HydrophobicContact CB-CD2 3.7Å; H104-L194 WeakPolarHBondContact O-CD2 3.26Å; A105-L194 HydrophobicContact CB-CD1 4.31Å; A105-L194 HydrophobicContact CB-CD2 3.92Å; A105-L194 HydrophobicContact CB-CG 4.33Å; L190-L194 HydrophobicContact CG-CD1 4.16Å; L190-L194 WeakPolarHBondContact O-CB 3.1Å; L190-L194 VanDerWaalsContact O-CG 3.3Å; L190-L194 WeakPolarHBondContact O-CG 3.08Å; L190-L194 PolarHBondContact O-N 2.89Å; V191-L194 CarbonylContact O-C 3.59Å; V191-L194 WeakPolarHBondContact O-CB 3.32Å; V191-L194 PolarHBondContact O-N 3.07Å; H192-L194 VanDerWaalsContact C-N 3.34Å
195Q91.1Very high80.1Confident15 Ų1559 Ų597%0.0732%0.316CS..Hα-helixtrans-68-40.6178.5-166.2-178.424.400111R28 L73 E76 L78 V191 H192 I193R28-Q195 PolarHBondContact NH1-O 3.44Å; L73-Q195 HydrophobicContact CD2-CB 4.31Å; L73-Q195 VanDerWaalsContact CG-OE1 3.26Å; L73-Q195 PolarHBondContact O-NE2 2.99Å; E76-Q195 PolarHBondContact OE2-NE2 3.44Å; L78-Q195 HydrophobicContact CD1-CB 3.99Å; L78-Q195 HydrophobicContact CD1-CG 3.93Å; V191-Q195 WeakPolarHBondContact O-CB 3.25Å; V191-Q195 PolarHBondContact O-N 3.4Å; H192-Q195 PolarHBondContact O-N 3.36Å; I193-Q195 VanDerWaalsContact C-N 3.33Å; I193-Q195 PolarHBondContact O-N 3.25Å
196K88.3Confident78.2Confident134 Ų13462 Ų6258%0.58332%0.322SS*.Hα-helixtrans-76.5-43.1-177.6-72.8-177.7174.2-179.40113.4H192 I193 K198H192-K196 VanDerWaalsContact CE1-CE 3.43Å; H192-K196 WeakPolarHBondContact CE1-CE 3.38Å; H192-K196 VanDerWaalsContact NE2-CE 3.32Å; H192-K196 WeakPolarHBondContact NE2-CE 3.48Å; H192-K196 PolarHBondContact NE2-NZ 2.86Å; H192-K196 VanDerWaalsContact NE2-NZ 3.12Å; H192-K196 WeakPolarHBondContact O-CG 3.43Å; H192-K196 PolarHBondContact O-N 2.88Å; I193-K196 PolarHBondContact O-N 3.34Å; K196-K198 PolarHBondContact O-N 2.83Å
197N79.6Confident76.5Confident79 Ų7965.7 Ų65.742%0.42234%0.339SS..SBendtrans-74115.4171.9-66.7-24.1000106.4P138 I193 P199P138-N197 WeakPolarHBondContact CG-ND2 3.31Å; I193-N197 WeakPolarHBondContact CG2-ND2 3.32Å; I193-N197 WeakPolarHBondContact O-CB 3.23Å; I193-N197 PolarHBondContact O-N 2.68Å; I193-N197 PolarHBondContact O-ND2 2.88Å; N197-P199 WeakPolarHBondContact O-CD 3.44Å
198K64.1Low75Confident180 Ų18068.5 Ų68.578%0.78335%0.35SS*.  trans-92.255.9-173.5-66.6-177.4177.9176.60115.4K196K196-K198 PolarHBondContact O-N 2.83Å
199P55.4Low73.6Confident62 Ų6272 Ų7240%0.40337%0.369SS..  trans-86125.9160.725.2-12.9000109.6N197N197-P199 WeakPolarHBondContact O-CD 3.44Å
200V53.6Low72.3Confident96 Ų9677.4 Ų77.458%0.58238%0.383SS*.  trans-103.7118.5-175175.40000109.1V202V200-V202 HydrophobicContact CG1-CG2 3.56Å
201H59.8Low70.8Confident49 Ų4979 Ų7923%0.22739%0.391CS..BIsolated β-bridgetrans-109.9111.3153.3-166.9-80.8000108.4N102 T203N102-H201 PolarHBondContact ND2-CD2 3.11Å; N102-H201 VanDerWaalsContact ND2-CD2 3.33Å; N102-H201 PolarHBondContact ND2-NE2 3.1Å; H201-T203 PolarHBondContact CE1-OG1 3.14Å; H201-T203 PolarHBondContact ND1-N 2.85Å; H201-T203 PolarHBondContact ND1-OG1 3.37Å; H201-T203 PolarHBondContact O-N 3.38Å
202V54.8Low69.5Low99 Ų9982.4 Ų82.460%0.641%0.406SS*.  trans-83.287.6170.7-175.20000106.9V200 T204V200-V202 HydrophobicContact CG1-CG2 3.56Å; V202-T204 PolarHBondContact O-N 3.48Å
203T59.7Low68.2Low33 Ų3381.5 Ų81.520%0.20241%0.409CS..  trans-75123.3173.2-45.30000109.1H201 E207H201-T203 PolarHBondContact CE1-OG1 3.14Å; H201-T203 PolarHBondContact ND1-N 2.85Å; H201-T203 PolarHBondContact ND1-OG1 3.37Å; H201-T203 PolarHBondContact O-N 3.38Å; T203-E207 WeakPolarHBondContact CA-OE2 3.15Å; T203-E207 HydrophobicContact CG2-CB 3.75Å
204T57.8Low66.8Low70 Ų7083.8 Ų83.843%0.42942%0.418SS..  trans-75.7156.6175.559.20000111.2V202 E206 E207 R208V202-T204 PolarHBondContact O-N 3.48Å; T204-E206 PolarHBondContact O-N 2.81Å; T204-E207 PolarHBondContact N-OE2 2.7Å; T204-E207 PolarHBondContact O-N 2.69Å; T204-E207 WeakPolarHBondContact OG1-CG 3.33Å; T204-E207 PolarHBondContact OG1-N 3.11Å; T204-E207 PolarHBondContact OG1-OE2 3.49Å; T204-R208 PolarHBondContact O-N 2.86Å; T204-R208 VanDerWaalsContact O-N 3.11Å
205D64.2Low65.4Low113 Ų11384.8 Ų84.860%0.60442%0.423SS*.Hα-helixtrans-58.4-29.6174.3-81-37.3000111.8R208 L209D205-R208 WeakPolarHBondContact O-CB 3.35Å; D205-R208 PolarHBondContact O-N 3.46Å; D205-R208 IonicContact OD1-NH1 3.09Å; D205-L209 WeakPolarHBondContact O-CD1 3.46Å; D205-L209 PolarHBondContact O-N 3.35Å
206E58.2Low64.1Low131 Ų13190 Ų9061%0.61245%0.448SS*.Hα-helixtrans-67.3-47.1174.4-71.2-172.6178.900113T204 R208 L209 R210T204-E206 PolarHBondContact O-N 2.81Å; E206-R208 PolarHBondContact O-N 3.4Å; E206-L209 PolarHBondContact O-N 3.11Å; E206-R210 WeakPolarHBondContact O-CG 3.28Å; E206-R210 PolarHBondContact O-N 2.95Å
207E61.9Low62.5Low82 Ų8289.3 Ų89.338%0.38345%0.447SS..Hα-helixtrans-60.4-35.8175.5-74.8171.3147.200111.3T203 T204 L211T203-E207 WeakPolarHBondContact CA-OE2 3.15Å; T203-E207 HydrophobicContact CG2-CB 3.75Å; T204-E207 PolarHBondContact N-OE2 2.7Å; T204-E207 PolarHBondContact O-N 2.69Å; T204-E207 WeakPolarHBondContact OG1-CG 3.33Å; T204-E207 PolarHBondContact OG1-N 3.11Å; T204-E207 PolarHBondContact OG1-OE2 3.49Å; E207-L211 WeakPolarHBondContact O-CB 3.34Å; E207-L211 PolarHBondContact O-N 2.95Å
208R64.5Low61.1Low65 Ų6588.1 Ų88.125%0.24544%0.439CS..Hα-helixtrans-64.8-44.9174.2-179.4179.9176-139.5-3.3112.1E68 T204 D205 E206 L211 K212E68-R208 IonicContact OE1-CZ 3.16Å; E68-R208 VanDerWaalsContact OE1-CZ 3.23Å; E68-R208 IonicContact OE1-NE 3.76Å; E68-R208 PolarHBondContact OE1-NE 2.78Å; E68-R208 IonicContact OE1-NH2 3.56Å; E68-R208 PolarHBondContact OE1-NH2 2.62Å; E68-R208 IonicContact OE2-CZ 2.72Å; E68-R208 IonicContact OE2-NE 3.87Å; E68-R208 PolarHBondContact OE2-NE 3.42Å; E68-R208 VanDerWaalsContact OE2-NE 3.09Å; E68-R208 IonicContact OE2-NH2 2.61Å; T204-R208 PolarHBondContact O-N 2.86Å; T204-R208 VanDerWaalsContact O-N 3.11Å; D205-R208 WeakPolarHBondContact O-CB 3.35Å; D205-R208 PolarHBondContact O-N 3.46Å; D205-R208 IonicContact OD1-NH1 3.09Å; E206-R208 PolarHBondContact O-N 3.4Å; R208-L211 PolarHBondContact O-N 3.23Å; R208-K212 PolarHBondContact O-N 3.14Å
209L66.4Low60.3Low129 Ų12983.7 Ų83.768%0.67543%0.43SS*.Hα-helixtrans-63.8-43.2176.2-101.8117.9000111.5D205 E206 L211 K212 A213D205-L209 WeakPolarHBondContact O-CD1 3.46Å; D205-L209 PolarHBondContact O-N 3.35Å; E206-L209 PolarHBondContact O-N 3.11Å; L209-L211 VanDerWaalsContact C-N 3.32Å; L209-L211 PolarHBondContact O-N 3.15Å; L209-K212 PolarHBondContact O-N 3.05Å; L209-A213 WeakPolarHBondContact O-CB 3.32Å; L209-A213 PolarHBondContact O-N 3.44Å
210R67.8Low60Low172 Ų17284.3 Ų84.365%0.64944%0.436SS*.Hα-helixtrans-61.5-41.2175.9-71.8-178.8-172.2165.38.1111.9E206 A213 H214E206-R210 WeakPolarHBondContact O-CG 3.28Å; E206-R210 PolarHBondContact O-N 2.95Å; R210-A213 PolarHBondContact O-N 2.85Å; R210-H214 WeakPolarHBondContact O-CB 3.36Å; R210-H214 PolarHBondContact O-N 2.94Å
211L65.5Low59.6Low36 Ų3686.3 Ų86.319%0.18844%0.444CS..Hα-helixtrans-67.1-44.7179.3-174.570.6000112.1F66 W83 E207 R208 L209 H214 L215F66-L211 HydrophobicContact CD2-CD2 4.05Å; F66-L211 HydrophobicContact CE2-CD2 3.67Å; F66-L211 HydrophobicContact CZ-CD2 4.14Å; W83-L211 HydrophobicContact CH2-CD1 3.25Å; W83-L211 HydrophobicContact CH2-CD2 3.64Å; W83-L211 HydrophobicContact CH2-CG 4Å; W83-L211 HydrophobicContact CZ2-CD1 3.87Å; W83-L211 HydrophobicContact CZ2-CD2 3.3Å; W83-L211 HydrophobicContact CZ2-CG 4.18Å; W83-L211 HydrophobicContact CZ3-CD1 4.03Å; E207-L211 WeakPolarHBondContact O-CB 3.34Å; E207-L211 PolarHBondContact O-N 2.95Å; R208-L211 PolarHBondContact O-N 3.23Å; L209-L211 VanDerWaalsContact C-N 3.32Å; L209-L211 PolarHBondContact O-N 3.15Å; L211-H214 PolarHBondContact O-N 2.74Å; L211-L215 HydrophobicContact CD1-CD1 4.44Å; L211-L215 HydrophobicContact CG-CD1 4.04Å; L211-L215 VanDerWaalsContact O-CG 3.28Å; L211-L215 WeakPolarHBondContact O-CG 3.06Å; L211-L215 PolarHBondContact O-N 3.19Å
212K66.8Low58.8Low72 Ų7290.4 Ų90.431%0.31346%0.458SS..Hα-helixtrans-60.8-46.2175.4-74.4-171.9179.1-171.30111.4F66 E68 R208 L209 H214 L215 E216F66-K212 HydrophobicContact CE1-CG 4.41Å; E68-K212 VanDerWaalsContact OE1-CE 3.31Å; E68-K212 WeakPolarHBondContact OE1-CE 3.49Å; E68-K212 IonicContact OE1-NZ 3.98Å; E68-K212 PolarHBondContact OE1-NZ 2.8Å; R208-K212 PolarHBondContact O-N 3.14Å; L209-K212 PolarHBondContact O-N 3.05Å; K212-H214 VanDerWaalsContact C-N 3.34Å; K212-H214 PolarHBondContact O-N 3.01Å; K212-L215 PolarHBondContact O-N 3.34Å; K212-E216 WeakPolarHBondContact O-CB 3.14Å; K212-E216 VanDerWaalsContact O-CG 3.32Å; K212-E216 WeakPolarHBondContact O-CG 3.4Å; K212-E216 PolarHBondContact O-N 3.12Å
213A66.9Low57.6Low42 Ų4291.3 Ų91.335%0.34747%0.468SS..Hα-helixtrans-59.1-44.3177.100000112.1L209 R210 L215 E216 E217L209-A213 WeakPolarHBondContact O-CB 3.32Å; L209-A213 PolarHBondContact O-N 3.44Å; R210-A213 PolarHBondContact O-N 2.85Å; A213-L215 VanDerWaalsContact C-N 3.33Å; A213-L215 PolarHBondContact O-N 3.1Å; A213-E216 PolarHBondContact O-N 3.37Å; A213-E217 WeakPolarHBondContact O-CG 3.11Å; A213-E217 PolarHBondContact O-N 3.12Å
214H63.8Low56.7Low99 Ų9993 Ų9346%0.45849%0.491SS..Hα-helixtrans-65.2-35.3179.5-16960.1000113.2R210 L211 K212 Q218R210-H214 WeakPolarHBondContact O-CB 3.36Å; R210-H214 PolarHBondContact O-N 2.94Å; L211-H214 PolarHBondContact O-N 2.74Å; K212-H214 VanDerWaalsContact C-N 3.34Å; K212-H214 PolarHBondContact O-N 3.01Å; H214-Q218 PolarHBondContact CD2-NE2 2.55Å; H214-Q218 VanDerWaalsContact CD2-NE2 3.34Å; H214-Q218 PolarHBondContact CE1-NE2 3.07Å; H214-Q218 PolarHBondContact NE2-NE2 3.42Å; H214-Q218 VanDerWaalsContact O-CG 3.24Å; H214-Q218 WeakPolarHBondContact O-CG 3.28Å; H214-Q218 PolarHBondContact O-N 3.13Å
215L63.8Low55.7Low22 Ų2299.2 Ų99.212%0.11554%0.536CS..Hα-helixtrans-76-35.7176.4-67.4168000112F66 L211 K212 A213 Q218 S219F66-L215 HydrophobicContact CB-CD1 3.3Å; F66-L215 HydrophobicContact CD1-CD1 4.33Å; F66-L215 HydrophobicContact CD2-CD1 4.24Å; F66-L215 HydrophobicContact CG-CD1 3.73Å; L211-L215 HydrophobicContact CD1-CD1 4.44Å; L211-L215 HydrophobicContact CG-CD1 4.04Å; L211-L215 VanDerWaalsContact O-CG 3.28Å; L211-L215 WeakPolarHBondContact O-CG 3.06Å; L211-L215 PolarHBondContact O-N 3.19Å; K212-L215 PolarHBondContact O-N 3.34Å; A213-L215 VanDerWaalsContact C-N 3.33Å; A213-L215 PolarHBondContact O-N 3.1Å; L215-Q218 PolarHBondContact O-N 3.31Å; L215-S219 PolarHBondContact O-N 2.95Å
216E62.7Low55.3Low126 Ų12698.6 Ų98.659%0.58953%0.532SS*.Hα-helixtrans-64-44.3173.5-75.9171.4-172.800111K212 A213 Q218 S219 S220K212-E216 WeakPolarHBondContact O-CB 3.14Å; K212-E216 VanDerWaalsContact O-CG 3.32Å; K212-E216 WeakPolarHBondContact O-CG 3.4Å; K212-E216 PolarHBondContact O-N 3.12Å; A213-E216 PolarHBondContact O-N 3.37Å; E216-Q218 VanDerWaalsContact C-N 3.31Å; E216-Q218 PolarHBondContact O-N 3.03Å; E216-S219 PolarHBondContact O-N 3.11Å; E216-S219 VanDerWaalsContact O-N 3.17Å; E216-S219 PolarHBondContact O-OG 2.65Å; E216-S220 PolarHBondContact O-N 2.77Å
217E55.7Low55.1Low119 Ų11996.8 Ų96.856%0.55653%0.528SS*.Hα-helixtrans-56.1-45.1173.1-77.9174.6176.900111.3A213 S219 S220 D221A213-E217 WeakPolarHBondContact O-CG 3.11Å; A213-E217 PolarHBondContact O-N 3.12Å; E217-S219 VanDerWaalsContact C-N 3.33Å; E217-S219 PolarHBondContact O-N 3.12Å; E217-S220 WeakPolarHBondContact CA-OG 3.29Å; E217-S220 PolarHBondContact O-N 2.82Å; E217-S220 PolarHBondContact O-OG 3.4Å; E217-D221 PolarHBondContact O-N 3.13Å; E217-D221 VanDerWaalsContact O-N 3.09Å
218Q50.2Low54.8Low54 Ų5497.7 Ų97.725%0.25254%0.536SS..Hα-helixtrans-66.4-32178.9-73.9166.9-3.400113.6M95 H214 L215 E216 S220M95-Q218 HydrophobicContact CE-CG 4.32Å; H214-Q218 PolarHBondContact CD2-NE2 2.55Å; H214-Q218 VanDerWaalsContact CD2-NE2 3.34Å; H214-Q218 PolarHBondContact CE1-NE2 3.07Å; H214-Q218 PolarHBondContact NE2-NE2 3.42Å; H214-Q218 VanDerWaalsContact O-CG 3.24Å; H214-Q218 WeakPolarHBondContact O-CG 3.28Å; H214-Q218 PolarHBondContact O-N 3.13Å; L215-Q218 PolarHBondContact O-N 3.31Å; E216-Q218 VanDerWaalsContact C-N 3.31Å; E216-Q218 PolarHBondContact O-N 3.03Å; Q218-S220 VanDerWaalsContact C-N 3.34Å
219S47.9Very low54.2Low87 Ų8799.6 Ų99.661%0.60855%0.553SS**Hα-helixtrans-71.9-29.617270.80000112.6L215 E216 E217L215-S219 PolarHBondContact O-N 2.95Å; E216-S219 PolarHBondContact O-N 3.11Å; E216-S219 VanDerWaalsContact O-N 3.17Å; E216-S219 PolarHBondContact O-OG 2.65Å; E217-S219 VanDerWaalsContact C-N 3.33Å; E217-S219 PolarHBondContact O-N 3.12Å
220S47.5Very low53.4Low74 Ų7497.8 Ų97.852%0.51755%0.545SS..Hα-helixtrans-79.7-31.7-177.5700000113.9E216 E217 Q218 Y222 C223E216-S220 PolarHBondContact O-N 2.77Å; E217-S220 WeakPolarHBondContact CA-OG 3.29Å; E217-S220 PolarHBondContact O-N 2.82Å; E217-S220 PolarHBondContact O-OG 3.4Å; Q218-S220 VanDerWaalsContact C-N 3.34Å; S220-Y222 PolarHBondContact O-N 3.38Å; S220-C223 PolarHBondContact O-N 3.17Å
221D46Very low52.5Low139 Ų13992.8 Ų92.874%0.74354%0.538SS*.THydrogen-bonded Turntrans-67.3-6.2177.7-82.8-13.7000113.6E217E217-D221 PolarHBondContact O-N 3.13Å; E217-D221 VanDerWaalsContact O-N 3.09Å
222Y42.1Very low51.5Low134 Ų13496.9 Ų96.953%0.52556%0.563SS.*THydrogen-bonded Turntrans-100.48.2178.6-96.2-83.6000115.3I62 F91 S220 G224I62-Y222 HydrophobicContact CG2-CD1 4.31Å; I62-Y222 HydrophobicContact CG2-CD2 4.17Å; I62-Y222 HydrophobicContact CG2-CE2 4.42Å; I62-Y222 HydrophobicContact CG2-CG 4.11Å; F91-Y222 HydrophobicContact CE1-CE1 4.04Å; F91-Y222 AromaticContact CE1-CZ 3.74Å; F91-Y222 WeakPolarHBondContact CE1-OH 3.4Å; S220-Y222 PolarHBondContact O-N 3.38Å; Y222-G224 PolarHBondContact O-N 2.99Å
223C31.1Very low50.4Low119 Ų11998.8 Ų98.880%0.80458%0.583SS**  trans-75.268.7165.8-164.40000110.3S220S220-C223 PolarHBondContact O-N 3.17Å
224G39.6Very low49Very low68 Ų68103.5 Ų103.570%0.70160%0.602SS**  trans-87.7114.5168.100000109.5Y222Y222-G224 PolarHBondContact O-N 2.99Å
225C37.5Very low47.6Very low201 Ų201103.9 Ų103.9100%1.35862%0.615SS**  trans-38.60171.3-35.70000115.1

Retrieved 225 of 225 residues in 251.3 ms (Link to these results)

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