A0A3Q0KPD9_SCHMA Loading...

Putative rho GTPase

AlphaFold DB , UniProt , Accession A0A3Q0KPD9, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 230 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
1M39Very low42.3Very low223 Ų223135.4 Ų135.4100%1.09970%0.704SS**  0122.70-98174.8173.700109
2K39.8Very low41.4Very low185 Ų185139.7 Ų139.780%0.80473%0.727SS**  trans-79114.8171.3-71.3179.9179.21790108.3
3K49.6Very low41.5Very low117 Ų117145.6 Ų145.651%0.50973%0.734SS.*EExtended strand (participates in β ladder)trans-89.8105.3170.2-68.4178.4-177.8169.20107.4
4R44.2Very low41.2Very low141 Ų141143.6 Ų143.653%0.53274%0.74SS.*EExtended strand (participates in β ladder)trans-88.7124.7175.7-132.1177.6-162.1175.21.4108.3F6 V61 E72R4-F6 HydrophobicContact CB-CE2 4.44Å; R4-F6 HydrophobicContact CG-CE2 4.32Å; R4-V61 HydrophobicContact CG-CB 4.35Å; R4-V61 HydrophobicContact CG-CG1 4.4Å; R4-E72 IonicContact CZ-OE2 3.62Å; R4-E72 IonicContact NE-OE2 2.83Å; R4-E72 IonicContact NH2-OE2 3.28Å; R4-E72 PolarHBondContact NH2-OE2 2.77Å
5C48.7Very low41.1Very low45 Ų45139.5 Ų139.530%0.30474%0.737SS.*  trans-103.1111171.8-161.20000108.4S44C5-S44 WeakPolarHBondContact CB-O 3.27Å; C5-S44 PolarHBondContact SG-O 3.01Å
6F42.6Very low40.7Very low159 Ų159140.1 Ų140.170%0.69774%0.74SS**  trans-90.6106.9167.6-76.4-85.9000107.4R4R4-F6 HydrophobicContact CB-CE2 4.44Å; R4-F6 HydrophobicContact CG-CE2 4.32Å
7R44.8Very low40.7Very low150 Ų150140.6 Ų140.657%0.56674%0.743SS**  trans-98.9107.3162-82.2-174.3170.6-143.74.9108.2F9 K45 D46R7-F9 PolarHBondContact O-N 2.79Å; R7-K45 PolarHBondContact NH2-O 3.02Å; R7-D46 VanDerWaalsContact CZ-CB 3.44Å; R7-D46 IonicContact CZ-OD2 3.51Å; R7-D46 VanDerWaalsContact CZ-OD2 3.22Å; R7-D46 VanDerWaalsContact NH1-CG 3.34Å; R7-D46 IonicContact NH1-OD2 3.74Å; R7-D46 PolarHBondContact NH1-OD2 3.32Å; R7-D46 VanDerWaalsContact NH2-CB 3.28Å; R7-D46 IonicContact NH2-OD2 2.63Å; R7-D46 PolarHBondContact NH2-OD2 2.89Å
8G36.1Very low41.1Very low75 Ų75140.6 Ų140.677%0.77375%0.75SS**  trans-67.1122.2171.300000110.6
9F49Very low41.8Very low204 Ų204139.4 Ų139.490%0.89575%0.748SS**  trans-121.8119.9150.6-98.3-89.3000107.1R7 C11R7-F9 PolarHBondContact O-N 2.79Å; F9-C11 PolarHBondContact O-N 3.14Å
10G33.7Very low42.9Very low80 Ų80138.7 Ų138.783%0.82575%0.749SS**  trans-68.4127.4-17800000111.9
11C37.3Very low44.5Very low110 Ų110134.6 Ų134.674%0.74373%0.734SS**  trans-133.2111.4145.7-1050000106.7F9 R13F9-C11 PolarHBondContact O-N 3.14Å; C11-R13 PolarHBondContact O-N 3.5Å
12L31.8Very low47Very low187 Ų187126.7 Ų126.798%0.97970%0.696SS**  trans-60.8100.9163.5-86.7137.1000107.8
13R42.8Very low49.6Very low217 Ų217126.3 Ų126.382%0.81969%0.689SS**  trans-137.6110.1163.7-72.3-167.6-177.6-159.50.8109.7C11C11-R13 PolarHBondContact O-N 3.5Å
14S37.5Very low51.8Low117 Ų117122.2 Ų122.282%0.81867%0.671SS**  trans24.2133.2141.850.80000119.7
15A38.9Very low54.4Low83 Ų83116.9 Ų116.969%0.68665%0.652SS**SBendtrans-49.1152.5178.100000116.3
16D35.4Very low56.7Low149 Ų149114.7 Ų114.780%0.79764%0.638SS**  trans71.777.1152.1-53.5-27.8000119.5
17N41.2Very low59.4Low148 Ų148107.1 Ų107.179%0.79160%0.604SS**  trans-156.2109.1131.2-110.6-24.3000108.2T19N17-T19 PolarHBondContact O-N 2.95Å
18V47.4Very low61.9Low141 Ų141100 Ų10086%0.85558%0.577SS**  trans-72.575.1172.8-175.90000108T20V18-T20 PolarHBondContact O-N 3.25Å; V18-T20 VanDerWaalsContact O-N 3.14Å
19T54.8Low64.9Low118 Ų11896.4 Ų96.472%0.72454%0.541SS*.  trans-67.4110.5166.249.10000107N17 A21N17-T19 PolarHBondContact O-N 2.95Å; T19-A21 PolarHBondContact O-N 2.93Å
20T64.4Low67.1Low125 Ų12586.7 Ų86.777%0.76750%0.498SS*.  trans-55.6114.8175.744.40000108.9V18 I22V18-T20 PolarHBondContact O-N 3.25Å; V18-T20 VanDerWaalsContact O-N 3.14Å; T20-I22 PolarHBondContact O-N 3.27Å
21A75.1Confident70Confident53 Ų5383 Ų8344%0.43846%0.459SS..PPolyproline II helixtrans-54.6131.1-179.900000109.9T19 R23T19-A21 PolarHBondContact O-N 2.93Å; A21-R23 PolarHBondContact O-N 3.29Å; A21-R23 VanDerWaalsContact O-N 3.16Å
22I91.7Very high72.5Confident57 Ų5778.3 Ų78.329%0.29243%0.43SS..EExtended strand (participates in β ladder)trans-67.8116.3-179.5-61.4175.9000107.2T20 K24 K69 Q70 I71 E72 L217T20-I22 PolarHBondContact O-N 3.27Å; I22-K24 HydrophobicContact CG2-CD 4.45Å; I22-K24 HydrophobicContact CG2-CG 4.18Å; I22-K69 HydrophobicContact CD1-CB 4.14Å; I22-K69 HydrophobicContact CD1-CD 3.93Å; I22-K69 HydrophobicContact CD1-CG 4.34Å; I22-Q70 PolarHBondContact N-O 2.9Å; I22-I71 HydrophobicContact CB-CG1 4.33Å; I22-I71 CarbonylContact O-C 3.58Å; I22-I71 VanDerWaalsContact O-CA 3.24Å; I22-I71 WeakPolarHBondContact O-CA 3.28Å; I22-I71 WeakPolarHBondContact O-CG2 3.41Å; I22-E72 PolarHBondContact O-N 2.69Å; I22-L217 HydrophobicContact CD1-CD2 3.95Å; I22-L217 HydrophobicContact CG2-CD2 4.29Å
23R94.7Very high75.3Confident177 Ų17770.7 Ų70.767%0.66839%0.394SS*.EExtended strand (participates in β ladder)trans-93.8130.3177.3-62.7-170.3172.315210.3110.7A21 E72A21-R23 PolarHBondContact O-N 3.29Å; A21-R23 VanDerWaalsContact O-N 3.16Å; R23-E72 WeakPolarHBondContact CA-O 3.46Å; R23-E72 VanDerWaalsContact CD-OE1 3.3Å; R23-E72 WeakPolarHBondContact CD-OE1 3.14Å; R23-E72 HydrophobicContact CG-CB 4.27Å; R23-E72 IonicContact CZ-OE1 3.55Å; R23-E72 IonicContact NE-OE1 3.28Å; R23-E72 PolarHBondContact NE-OE1 2.99Å; R23-E72 IonicContact NH2-OE1 3.03Å
24K96.4Very high77.7Confident30 Ų3060.4 Ų60.413%0.1336%0.355CS..EExtended strand (participates in β ladder)trans-132138.8176.1-63.6-66.2-175.71650111.3I22 I71 E72 L73 A74 D96 C216I22-K24 HydrophobicContact CG2-CD 4.45Å; I22-K24 HydrophobicContact CG2-CG 4.18Å; K24-I71 HydrophobicContact CB-CG2 4.25Å; K24-I71 HydrophobicContact CG-CG2 3.98Å; K24-E72 PolarHBondContact N-O 2.81Å; K24-L73 HydrophobicContact CB-CD2 3.96Å; K24-L73 WeakPolarHBondContact O-CA 3.45Å; K24-A74 PolarHBondContact O-N 2.96Å; K24-D96 WeakPolarHBondContact CA-OD2 3.33Å; K24-D96 HydrophobicContact CB-CB 4.31Å; K24-D96 HydrophobicContact CD-CB 3.95Å; K24-C216 HydrophobicContact CB-CB 4.44Å; K24-C216 HydrophobicContact CD-CB 3.77Å; K24-C216 HydrophobicContact CG-CB 3.87Å; K24-C216 PolarHBondContact NZ-O 3.12Å
25K97.1Very high80.4Confident29 Ų2955.6 Ų55.613%0.12632%0.324CS..EExtended strand (participates in β ladder)trans-95.1118.7174.8177.7171.8172.4173.30110.4V27 W76 S91 P93 D96 V97K25-V27 HydrophobicContact CG-CG2 4.43Å; K25-W76 VanDerWaalsContact CE-CE2 3.49Å; K25-S91 WeakPolarHBondContact CE-O 3.33Å; K25-S91 PolarHBondContact NZ-O 2.92Å; K25-P93 WeakPolarHBondContact CE-O 3.24Å; K25-P93 PolarHBondContact NZ-O 2.86Å; K25-D96 PolarHBondContact N-OD2 2.79Å; K25-D96 WeakPolarHBondContact O-CA 3.27Å; K25-D96 WeakPolarHBondContact O-CB 3.29Å; K25-D96 PolarHBondContact O-N 2.73Å; K25-V97 PolarHBondContact O-N 3.47Å
26L98.1Very high83.2Confident0 Ų052.1 Ų52.10%029%0.293CS..EExtended strand (participates in β ladder)trans-110.4126.5174.1179.1158.6000108.9L40 A74 L75 W76 V97 L99 F209 A212L26-L40 HydrophobicContact CD2-CD2 4.4Å; L26-A74 PolarHBondContact N-O 3.46Å; L26-L75 HydrophobicContact CB-CD2 4.16Å; L26-L75 HydrophobicContact CD1-CD2 4.24Å; L26-L75 HydrophobicContact CD2-CD2 4.12Å; L26-L75 HydrophobicContact CG-CD2 4.42Å; L26-W76 PolarHBondContact O-N 2.98Å; L26-V97 WeakPolarHBondContact CA-O 3.29Å; L26-V97 HydrophobicContact CB-CG1 3.81Å; L26-V97 HydrophobicContact CD1-CG1 3.96Å; L26-V97 HydrophobicContact CG-CG1 3.83Å; L26-L99 HydrophobicContact CD1-CD1 3.99Å; L26-L99 HydrophobicContact CD1-CD2 4.36Å; L26-L99 HydrophobicContact CD1-CG 3.9Å; L26-L99 HydrophobicContact CD2-CD1 3.89Å; L26-L99 HydrophobicContact CD2-CG 3.86Å; L26-L99 HydrophobicContact CG-CD1 4.39Å; L26-L99 HydrophobicContact CG-CG 4.04Å; L26-F209 HydrophobicContact CD1-CD1 3.97Å; L26-F209 HydrophobicContact CD1-CE1 4.17Å; L26-A212 HydrophobicContact CD1-CB 3.94Å
27V98.3Very high86Confident0 Ų046.5 Ų46.50%026%0.264CS..EExtended strand (participates in β ladder)trans-111.7131.9172.5177.20000108.7K25 V29 W76 T78 S91 Y92 T95 V97 I98 L99K25-V27 HydrophobicContact CG-CG2 4.43Å; V27-V29 HydrophobicContact CG1-CG1 4.16Å; V27-W76 HydrophobicContact CB-CB 4.27Å; V27-W76 HydrophobicContact CG1-CB 4.44Å; V27-W76 HydrophobicContact CG2-CB 3.75Å; V27-W76 HydrophobicContact CG2-CG 4.13Å; V27-T78 HydrophobicContact CG1-CG2 3.84Å; V27-S91 WeakPolarHBondContact CG2-O 3.34Å; V27-Y92 HydrophobicContact CG1-CD1 4.12Å; V27-Y92 HydrophobicContact CG1-CE1 4.01Å; V27-T95 HydrophobicContact CB-CG2 3.99Å; V27-T95 HydrophobicContact CG2-CG2 3.73Å; V27-T95 VanDerWaalsContact CG2-OG1 3.23Å; V27-T95 WeakPolarHBondContact CG2-OG1 3.19Å; V27-V97 PolarHBondContact N-O 3.33Å; V27-V97 VanDerWaalsContact N-O 3.11Å; V27-I98 HydrophobicContact CB-CD1 3.93Å; V27-I98 HydrophobicContact CG1-CD1 4.35Å; V27-I98 CarbonylContact O-C 3.56Å; V27-I98 WeakPolarHBondContact O-CA 3.23Å; V27-L99 PolarHBondContact O-N 3.48Å
28I98.6Very high88.7Confident0 Ų040.8 Ų40.80%024%0.235CC..EExtended strand (participates in β ladder)trans-102135.2175.2-167164.2000109.8K36 L39 L40 W76 T78 L99 C101I28-K36 HydrophobicContact CD1-CB 3.75Å; I28-K36 HydrophobicContact CD1-CG 4.07Å; I28-K36 HydrophobicContact CG1-CB 3.96Å; I28-K36 HydrophobicContact CG1-CD 4.03Å; I28-K36 HydrophobicContact CG1-CG 3.89Å; I28-K36 HydrophobicContact CG2-CB 4.15Å; I28-K36 HydrophobicContact CG2-CD 4.4Å; I28-L39 HydrophobicContact CD1-CD2 4.05Å; I28-L40 HydrophobicContact CD1-CD2 4.2Å; I28-L40 HydrophobicContact CD1-CG 4.22Å; I28-L40 HydrophobicContact CG2-CD1 3.62Å; I28-L40 HydrophobicContact CG2-CD2 4.44Å; I28-L40 HydrophobicContact CG2-CG 4.15Å; I28-W76 WeakPolarHBondContact CG2-O 3.5Å; I28-W76 PolarHBondContact N-O 3.06Å; I28-W76 VanDerWaalsContact N-O 3.07Å; I28-T78 WeakPolarHBondContact O-CG2 3.45Å; I28-T78 PolarHBondContact O-OG1 3.44Å; I28-L99 CarbonylContact C-O 3.53Å; I28-L99 WeakPolarHBondContact CA-O 3.24Å; I28-L99 HydrophobicContact CB-CB 4.18Å; I28-L99 HydrophobicContact CD1-CB 4.29Å; I28-L99 HydrophobicContact CD1-CD1 4.22Å; I28-L99 HydrophobicContact CG1-CB 3.84Å; I28-C101 VanDerWaalsContact CD1-SG 3.52Å; I28-C101 VanDerWaalsContact CG1-SG 3.56Å
29V97.9Very high91.1Very high0 Ų034 Ų340%020%0.195CC..EExtended strand (participates in β ladder)trans-136.3165.8178.3-59.20000110.3V27 K36 Y92 I98 L99 M100 C101 W137 V141V27-V29 HydrophobicContact CG1-CG1 4.16Å; V29-K36 VanDerWaalsContact C-CD 3.48Å; V29-Y92 HydrophobicContact CG1-CE1 3.77Å; V29-Y92 WeakPolarHBondContact CG1-OH 3.47Å; V29-I98 HydrophobicContact CG2-CG2 3.84Å; V29-L99 PolarHBondContact N-O 2.93Å; V29-M100 HydrophobicContact CG2-CB 4.3Å; V29-M100 HydrophobicContact CG2-CE 4.47Å; V29-M100 HydrophobicContact CG2-CG 4.16Å; V29-C101 PolarHBondContact O-N 3.02Å; V29-W137 HydrophobicContact CB-CE3 3.88Å; V29-W137 HydrophobicContact CB-CZ3 4.07Å; V29-W137 HydrophobicContact CG2-CE3 4.26Å; V29-V141 HydrophobicContact CG2-CG2 3.91Å
30G96.5Very high93.1Very high0 Ų028.4 Ų28.40%016%0.16CC..EExtended strand (participates in β ladder)trans136.8168.5-173.600000111.5K36 G80 C101 W137G30-K36 WeakPolarHBondContact O-CE 3.24Å; G30-K36 PolarHBondContact O-NZ 3.12Å; G30-G80 VanDerWaalsContact O-CA 3.25Å; G30-G80 WeakPolarHBondContact O-CA 3.42Å; G30-C101 WeakPolarHBondContact CA-O 3.4Å; G30-W137 VanDerWaalsContact CA-CE2 3.42Å; G30-W137 WeakPolarHBondContact O-CH2 3.36Å; G30-W137 WeakPolarHBondContact O-CZ2 3.41Å
31D93.4Very high94.6Very high1 Ų123.5 Ų23.51%0.00513%0.129CC..  trans-59.1160.5-173-74.1-14.3000114.5C34 K36 V109 S129 N132 W137D31-C34 PolarHBondContact O-N 3.32Å; D31-C34 PolarHBondContact O-SG 3.25Å; D31-K36 PolarHBondContact O-NZ 3.03Å; D31-V109 HydrophobicContact CB-CG2 3.92Å; D31-V109 WeakPolarHBondContact OD2-CG2 3.39Å; D31-S129 VanDerWaalsContact OD2-CA 3.24Å; D31-S129 WeakPolarHBondContact OD2-CA 3.38Å; D31-N132 WeakPolarHBondContact OD2-CB 3.36Å; D31-N132 PolarHBondContact OD2-ND2 3.45Å; D31-W137 WeakPolarHBondContact OD1-CZ2 3.41Å; D31-W137 PolarHBondContact OD1-NE1 3.27Å
32G90.3Very high95.6Very high13 Ų1321.2 Ų21.213%0.13411%0.109CC..THydrogen-bonded Turntrans-54.5143.6168.200000110.5C34G32-C34 PolarHBondContact O-N 3.49Å
33A90Very high95.9Very high27 Ų2720.1 Ų20.122%0.22310%0.103CC..THydrogen-bonded Turntrans59.38.6178.400000117.1G35 Y52 Y107 K156A33-G35 PolarHBondContact O-N 3.03Å; A33-Y52 HydrophobicContact CB-CE2 4.45Å; A33-Y107 HydrophobicContact CB-CD1 4.32Å; A33-Y107 HydrophobicContact CB-CE1 4.01Å; A33-K156 WeakPolarHBondContact O-CE 3.34Å; A33-K156 PolarHBondContact O-NZ 3.14Å; A33-K156 VanDerWaalsContact O-NZ 3.13Å
34C93.6Very high95.9Very high1 Ų112.1 Ų12.11%0.0077%0.074CC..SBendtrans-75-1.7175.977.50000114.1D31 G32 N155D31-C34 PolarHBondContact O-N 3.32Å; D31-C34 PolarHBondContact O-SG 3.25Å; G32-C34 PolarHBondContact O-N 3.49Å; C34-N155 WeakPolarHBondContact O-CB 3.48Å; C34-N155 PolarHBondContact O-ND2 3.37Å
35G94.6Very high95.7Very high15 Ų1514 Ų1416%0.1558%0.082CC..SBendtrans101.18.917300000116.9A33 T37 C38 L39A33-G35 PolarHBondContact O-N 3.03Å; G35-T37 PolarHBondContact O-N 2.93Å; G35-C38 PolarHBondContact O-N 3.02Å; G35-L39 PolarHBondContact O-N 3.21Å
36K96.9Very high95.6Very high11 Ų1115.7 Ų15.75%0.0489%0.092CC..Hα-helixtrans-49.4-55.6179.7-59-172.4-60.8-720113.5I28 V29 G30 D31 C38 L39 L40 T78 C101I28-K36 HydrophobicContact CD1-CB 3.75Å; I28-K36 HydrophobicContact CD1-CG 4.07Å; I28-K36 HydrophobicContact CG1-CB 3.96Å; I28-K36 HydrophobicContact CG1-CD 4.03Å; I28-K36 HydrophobicContact CG1-CG 3.89Å; I28-K36 HydrophobicContact CG2-CB 4.15Å; I28-K36 HydrophobicContact CG2-CD 4.4Å; V29-K36 VanDerWaalsContact C-CD 3.48Å; G30-K36 WeakPolarHBondContact O-CE 3.24Å; G30-K36 PolarHBondContact O-NZ 3.12Å; D31-K36 PolarHBondContact O-NZ 3.03Å; K36-C38 PolarHBondContact O-N 2.88Å; K36-L39 WeakPolarHBondContact O-CB 3.19Å; K36-L39 PolarHBondContact O-N 3.16Å; K36-L40 PolarHBondContact O-N 3.39Å; K36-T78 WeakPolarHBondContact CE-O 3.47Å; K36-C101 HydrophobicContact CG-CB 4.06Å
37T95.5Very high95.4Very high31 Ų3122.3 Ų22.319%0.1912%0.123CC..Hα-helixtrans-65.2-40.3-177.1-54.60000112G35 L39 L40 I41 T55 D77G35-T37 PolarHBondContact O-N 2.93Å; T37-L39 VanDerWaalsContact C-N 3.33Å; T37-L39 PolarHBondContact O-N 2.86Å; T37-L40 PolarHBondContact O-N 3.41Å; T37-I41 HydrophobicContact CG2-CD1 3.62Å; T37-I41 HydrophobicContact CG2-CG1 4.23Å; T37-I41 WeakPolarHBondContact O-CB 3.3Å; T37-I41 VanDerWaalsContact O-CG1 3.24Å; T37-I41 WeakPolarHBondContact O-CG1 3.48Å; T37-I41 PolarHBondContact O-N 2.88Å; T37-T55 PolarHBondContact OG1-OG1 2.88Å; T37-D77 VanDerWaalsContact CA-OD2 3.3Å; T37-D77 WeakPolarHBondContact CA-OD2 3.47Å; T37-D77 WeakPolarHBondContact CB-OD2 3.44Å; T37-D77 WeakPolarHBondContact CG2-OD2 3.39Å; T37-D77 PolarHBondContact OG1-OD1 3.08Å; T37-D77 PolarHBondContact OG1-OD2 3.29Å
38C96.5Very high95.1Very high27 Ų2725.1 Ų25.118%0.18214%0.136CC..Hα-helixtrans-60.4-44.2174.5-58.60000111.3G35 K36 I41 V42 F48 P49 A199G35-C38 PolarHBondContact O-N 3.02Å; K36-C38 PolarHBondContact O-N 2.88Å; C38-I41 PolarHBondContact O-N 3.02Å; C38-V42 WeakPolarHBondContact O-CB 3.45Å; C38-V42 WeakPolarHBondContact O-CG2 3.42Å; C38-V42 PolarHBondContact O-N 3.24Å; C38-F48 HydrophobicContact CB-CD2 4.42Å; C38-F48 HydrophobicContact CB-CE2 3.83Å; C38-F48 HydrophobicContact CB-CZ 4.43Å; C38-P49 HydrophobicContact CB-CG 4.31Å; C38-A199 HydrophobicContact CB-CB 3.9Å
39L98.1Very high94.7Very high0 Ų026.9 Ų26.90%015%0.147CC..Hα-helixtrans-59.8-49.1177.517761.1000111.8I28 G35 K36 T37 F43 L99 V153 V205 V208 F209I28-L39 HydrophobicContact CD1-CD2 4.05Å; G35-L39 PolarHBondContact O-N 3.21Å; K36-L39 WeakPolarHBondContact O-CB 3.19Å; K36-L39 PolarHBondContact O-N 3.16Å; T37-L39 VanDerWaalsContact C-N 3.33Å; T37-L39 PolarHBondContact O-N 2.86Å; L39-F43 WeakPolarHBondContact O-CB 3.3Å; L39-F43 PolarHBondContact O-N 2.9Å; L39-L99 HydrophobicContact CD2-CD1 4.37Å; L39-V153 HydrophobicContact CD2-CG1 4.02Å; L39-V205 HydrophobicContact CD1-CB 4.42Å; L39-V205 HydrophobicContact CD1-CG1 4.01Å; L39-V205 HydrophobicContact CD1-CG2 4.14Å; L39-V208 HydrophobicContact CD2-CG1 4.33Å; L39-F209 HydrophobicContact CD1-CE2 3.97Å; L39-F209 HydrophobicContact CD1-CZ 4.47Å; L39-F209 HydrophobicContact CG-CE2 4.11Å; L39-F209 HydrophobicContact CG-CZ 4.11Å
40L97.7Very high94.3Very high0 Ų034.9 Ų34.90%019%0.185CC..Hα-helixtrans-64.9-41.8178.9-65.7-172.6000112.7L26 I28 K36 T37 S44 Y60 L75 D77 F209L26-L40 HydrophobicContact CD2-CD2 4.4Å; I28-L40 HydrophobicContact CD1-CD2 4.2Å; I28-L40 HydrophobicContact CD1-CG 4.22Å; I28-L40 HydrophobicContact CG2-CD1 3.62Å; I28-L40 HydrophobicContact CG2-CD2 4.44Å; I28-L40 HydrophobicContact CG2-CG 4.15Å; K36-L40 PolarHBondContact O-N 3.39Å; T37-L40 PolarHBondContact O-N 3.41Å; L40-S44 WeakPolarHBondContact O-CB 3.33Å; L40-S44 PolarHBondContact O-N 3.48Å; L40-S44 PolarHBondContact O-OG 3.42Å; L40-Y60 HydrophobicContact CB-CD2 4.46Å; L40-Y60 HydrophobicContact CD1-CD2 4.26Å; L40-Y60 HydrophobicContact CD1-CE2 4.38Å; L40-L75 HydrophobicContact CD1-CB 4.44Å; L40-L75 HydrophobicContact CD2-CB 4.2Å; L40-L75 HydrophobicContact CD2-CD1 4.27Å; L40-L75 HydrophobicContact CD2-CD2 4.48Å; L40-D77 HydrophobicContact CD1-CB 3.51Å; L40-F209 HydrophobicContact CD2-CE1 3.87Å; L40-F209 HydrophobicContact CD2-CZ 3.86Å
41I95Very high93.8Very high22 Ų2240.2 Ų40.211%0.11322%0.217CC..Hα-helixtrans-67.1-45.3-180-70.9176.3000110.5T37 C38 F43 S44 K45 Q47 P49 Y60T37-I41 HydrophobicContact CG2-CD1 3.62Å; T37-I41 HydrophobicContact CG2-CG1 4.23Å; T37-I41 WeakPolarHBondContact O-CB 3.3Å; T37-I41 VanDerWaalsContact O-CG1 3.24Å; T37-I41 WeakPolarHBondContact O-CG1 3.48Å; T37-I41 PolarHBondContact O-N 2.88Å; C38-I41 PolarHBondContact O-N 3.02Å; I41-F43 VanDerWaalsContact C-N 3.32Å; I41-F43 PolarHBondContact O-N 3.11Å; I41-S44 PolarHBondContact O-N 3.19Å; I41-S44 PolarHBondContact O-OG 3.23Å; I41-K45 HydrophobicContact CG2-CD 4.27Å; I41-K45 WeakPolarHBondContact O-CA 3.43Å; I41-K45 WeakPolarHBondContact O-CB 2.87Å; I41-K45 PolarHBondContact O-N 3.39Å; I41-Q47 WeakPolarHBondContact CG2-O 3.48Å; I41-P49 HydrophobicContact CD1-CB 4.37Å; I41-P49 HydrophobicContact CD1-CG 4.19Å; I41-P49 HydrophobicContact CG2-CG 4.46Å; I41-Y60 HydrophobicContact CG1-CE1 4.22Å
42V96.9Very high93.3Very high4 Ų447 Ų472%0.02424%0.243CC..Hα-helixtrans-63.9-40.2178.7173.10000110.6C38 D46 F48 A199 K202 V205C38-V42 WeakPolarHBondContact O-CB 3.45Å; C38-V42 WeakPolarHBondContact O-CG2 3.42Å; C38-V42 PolarHBondContact O-N 3.24Å; V42-D46 WeakPolarHBondContact O-CA 3.23Å; V42-D46 PolarHBondContact O-N 3.46Å; V42-F48 HydrophobicContact CG2-CB 4.12Å; V42-F48 HydrophobicContact CG2-CD2 3.85Å; V42-F48 HydrophobicContact CG2-CG 4.45Å; V42-A199 HydrophobicContact CB-CB 4.48Å; V42-A199 HydrophobicContact CG2-CB 4.08Å; V42-A199 WeakPolarHBondContact CG2-O 3.21Å; V42-K202 HydrophobicContact CG1-CG 3.93Å; V42-V205 HydrophobicContact CG1-CG1 4.1Å; V42-V205 HydrophobicContact CG1-CG2 4.14Å
43F97.5Very high93Very high34 Ų3451.2 Ų51.215%0.14927%0.267CS..Hα-helixtrans-65.5-46.2175.1174.7-114.6000113L39 I41 A62 I64 L73 L75 V205 F209L39-F43 WeakPolarHBondContact O-CB 3.3Å; L39-F43 PolarHBondContact O-N 2.9Å; I41-F43 VanDerWaalsContact C-N 3.32Å; I41-F43 PolarHBondContact O-N 3.11Å; F43-A62 HydrophobicContact CD1-CB 3.91Å; F43-A62 HydrophobicContact CE1-CB 3.42Å; F43-A62 VanDerWaalsContact CE1-CB 3.42Å; F43-A62 HydrophobicContact CZ-CB 4.16Å; F43-I64 HydrophobicContact CE2-CD1 4.1Å; F43-I64 HydrophobicContact CZ-CB 4.19Å; F43-I64 HydrophobicContact CZ-CD1 4.09Å; F43-L73 HydrophobicContact CE1-CD1 4.01Å; F43-L73 HydrophobicContact CZ-CD1 4.16Å; F43-L75 HydrophobicContact CD1-CD1 3.83Å; F43-L75 HydrophobicContact CE1-CD1 4.17Å; F43-V205 HydrophobicContact CB-CG1 3.84Å; F43-F209 HydrophobicContact CB-CD2 3.68Å; F43-F209 HydrophobicContact CB-CE1 4.38Å; F43-F209 HydrophobicContact CB-CE2 3.2Å; F43-F209 HydrophobicContact CB-CG 4.48Å; F43-F209 HydrophobicContact CB-CZ 3.59Å; F43-F209 HydrophobicContact CD1-CB 4.45Å; F43-F209 AromaticContact CD1-CD1 3.52Å; F43-F209 HydrophobicContact CD1-CD1 3.52Å; F43-F209 AromaticContact CD1-CD2 3.65Å; F43-F209 HydrophobicContact CD1-CD2 3.65Å; F43-F209 AromaticContact CD1-CE1 3.53Å; F43-F209 HydrophobicContact CD1-CE1 3.53Å; F43-F209 AromaticContact CD1-CE2 3.72Å; F43-F209 HydrophobicContact CD1-CE2 3.72Å; F43-F209 AromaticContact CD1-CG 3.58Å; F43-F209 HydrophobicContact CD1-CG 3.58Å; F43-F209 AromaticContact CD1-CZ 3.64Å; F43-F209 HydrophobicContact CD1-CZ 3.64Å; F43-F209 HydrophobicContact CD2-CB 4.11Å; F43-F209 HydrophobicContact CD2-CD1 4.48Å; F43-F209 AromaticContact CD2-CD2 3.28Å; F43-F209 HydrophobicContact CD2-CD2 3.28Å; F43-F209 AromaticContact CD2-CE2 3.82Å; F43-F209 HydrophobicContact CD2-CE2 3.82Å; F43-F209 AromaticContact CD2-CG 3.7Å; F43-F209 HydrophobicContact CD2-CG 3.7Å; F43-F209 HydrophobicContact CE1-CB 4Å; F43-F209 AromaticContact CE1-CD1 3.51Å; F43-F209 HydrophobicContact CE1-CD1 3.51Å; F43-F209 HydrophobicContact CE1-CD2 4.06Å; F43-F209 AromaticContact CE1-CE1 3.98Å; F43-F209 HydrophobicContact CE1-CE1 3.98Å; F43-F209 AromaticContact CE1-CG 3.56Å; F43-F209 HydrophobicContact CE1-CG 3.56Å; F43-F209 HydrophobicContact CE1-CZ 4.46Å; F43-F209 HydrophobicContact CE2-CB 3.63Å; F43-F209 HydrophobicContact CE2-CD1 4.48Å; F43-F209 AromaticContact CE2-CD2 3.75Å; F43-F209 HydrophobicContact CE2-CD2 3.75Å; F43-F209 AromaticContact CE2-CG 3.69Å; F43-F209 HydrophobicContact CE2-CG 3.69Å; F43-F209 HydrophobicContact CG-CB 4.49Å; F43-F209 HydrophobicContact CG-CD1 4.03Å; F43-F209 AromaticContact CG-CD2 3.23Å; F43-F209 HydrophobicContact CG-CD2 3.23Å; F43-F209 HydrophobicContact CG-CE1 4.04Å; F43-F209 AromaticContact CG-CE2 3.29Å; F43-F209 HydrophobicContact CG-CE2 3.29Å; F43-F209 AromaticContact CG-CG 3.65Å; F43-F209 HydrophobicContact CG-CG 3.65Å; F43-F209 AromaticContact CG-CZ 3.69Å; F43-F209 HydrophobicContact CG-CZ 3.69Å; F43-F209 HydrophobicContact CZ-CB 3.57Å; F43-F209 HydrophobicContact CZ-CD1 4.03Å; F43-F209 HydrophobicContact CZ-CD2 4.11Å; F43-F209 AromaticContact CZ-CG 3.62Å; F43-F209 HydrophobicContact CZ-CG 3.62Å
44S94.6Very high92.8Very high9 Ų953.4 Ų53.46%0.06328%0.278CS..Hα-helixtrans-81.1-27-173.3590000114.6C5 L40 I41C5-S44 WeakPolarHBondContact CB-O 3.27Å; C5-S44 PolarHBondContact SG-O 3.01Å; L40-S44 WeakPolarHBondContact O-CB 3.33Å; L40-S44 PolarHBondContact O-N 3.48Å; L40-S44 PolarHBondContact O-OG 3.42Å; I41-S44 PolarHBondContact O-N 3.19Å; I41-S44 PolarHBondContact O-OG 3.23Å
45K93.2Very high92.4Very high70 Ų7054 Ų5430%0.30428%0.282SS..Hα-helixtrans-124.1-12.9-174.4-56.2-176.1-168.11630113.6R7 I41 Q47R7-K45 PolarHBondContact NH2-O 3.02Å; I41-K45 HydrophobicContact CG2-CD 4.27Å; I41-K45 WeakPolarHBondContact O-CA 3.43Å; I41-K45 WeakPolarHBondContact O-CB 2.87Å; I41-K45 PolarHBondContact O-N 3.39Å; K45-Q47 PolarHBondContact O-N 3.31Å
46D94Very high92Very high64 Ų6456.7 Ų56.734%0.34230%0.295SS..SBendtrans55.532.5-179.3168.472.2000113.5R7 V42 K202R7-D46 VanDerWaalsContact CZ-CB 3.44Å; R7-D46 IonicContact CZ-OD2 3.51Å; R7-D46 VanDerWaalsContact CZ-OD2 3.22Å; R7-D46 VanDerWaalsContact NH1-CG 3.34Å; R7-D46 IonicContact NH1-OD2 3.74Å; R7-D46 PolarHBondContact NH1-OD2 3.32Å; R7-D46 VanDerWaalsContact NH2-CB 3.28Å; R7-D46 IonicContact NH2-OD2 2.63Å; R7-D46 PolarHBondContact NH2-OD2 2.89Å; V42-D46 WeakPolarHBondContact O-CA 3.23Å; V42-D46 PolarHBondContact O-N 3.46Å; D46-K202 VanDerWaalsContact CG-NZ 3.31Å; D46-K202 PolarHBondContact O-NZ 3.47Å; D46-K202 WeakPolarHBondContact OD1-CE 3.37Å; D46-K202 IonicContact OD1-NZ 3.64Å; D46-K202 PolarHBondContact OD1-NZ 2.93Å; D46-K202 IonicContact OD2-NZ 2.77Å
47Q93.6Very high91.2Very high139 Ų13959.4 Ų59.465%0.6531%0.307SS*.  trans-129.2134.2171.4-174.8178.816.300109.1I41 K45I41-Q47 WeakPolarHBondContact CG2-O 3.48Å; K45-Q47 PolarHBondContact O-N 3.31Å
48F93.3Very high91Very high60 Ų6061.5 Ų61.526%0.26332%0.315SS..  trans-81.3131.5172.3-172-95.5000109.9C38 V42 E50 A199 K200C38-F48 HydrophobicContact CB-CD2 4.42Å; C38-F48 HydrophobicContact CB-CE2 3.83Å; C38-F48 HydrophobicContact CB-CZ 4.43Å; V42-F48 HydrophobicContact CG2-CB 4.12Å; V42-F48 HydrophobicContact CG2-CD2 3.85Å; V42-F48 HydrophobicContact CG2-CG 4.45Å; F48-E50 PolarHBondContact O-N 3.19Å; F48-A199 HydrophobicContact CD2-CB 4.13Å; F48-A199 WeakPolarHBondContact CD2-O 3.42Å; F48-A199 HydrophobicContact CE2-CB 3.95Å; F48-K200 HydrophobicContact CD2-CB 4.31Å; F48-K200 HydrophobicContact CE2-CB 3.97Å; F48-K200 HydrophobicContact CZ-CB 4.28Å
49P90.4Very high90.7Very high36 Ų3663.4 Ų63.423%0.23432%0.323CS..  trans-74.9121.3176.730-33.3000110.7C38 I41 V51C38-P49 HydrophobicContact CB-CG 4.31Å; I41-P49 HydrophobicContact CD1-CB 4.37Å; I41-P49 HydrophobicContact CD1-CG 4.19Å; I41-P49 HydrophobicContact CG2-CG 4.46Å; P49-V51 VanDerWaalsContact C-N 3.33Å
50E88.5Confident90.4Very high169 Ų16963.7 Ų63.779%0.7932%0.324SS*.SBendtrans-76.1-20.9178.1-64.5-59.8151.800113.4F48F48-E50 PolarHBondContact O-N 3.19Å
51V87.2Confident90.2Very high112 Ų11264.5 Ų64.568%0.67933%0.329SS*.SBendtrans-109.9124.5-177.7-176.90000110.1P49 V53P49-V51 VanDerWaalsContact C-N 3.33Å; V51-V53 HydrophobicContact CG1-CG2 4.15Å; V51-V53 PolarHBondContact O-N 3.15Å
52Y82.5Confident90.2Very high142 Ų14263.8 Ų63.856%0.55733%0.327SS*.  trans-80.8112.6172.9179.6-104.3000110.9A33 P54A33-Y52 HydrophobicContact CB-CE2 4.45Å; Y52-P54 HydrophobicContact CD1-CG 4.5Å; Y52-P54 HydrophobicContact CE1-CG 3.82Å
53V83.9Confident90.1Very high103 Ų10367.6 Ų67.662%0.62435%0.347SS*.  trans-116.2121.4169.2-177.80000107.8V51 T55V51-V53 HydrophobicContact CG1-CG2 4.15Å; V51-V53 PolarHBondContact O-N 3.15Å; V53-T55 PolarHBondContact O-N 3.5Å
54P86.1Confident90Very high73 Ų7366.1 Ų66.147%0.47434%0.341SS..  trans-57.1124.9174.6-25.934.3000111.9Y52Y52-P54 HydrophobicContact CD1-CG 4.5Å; Y52-P54 HydrophobicContact CE1-CG 3.82Å
55T83.9Confident89.9Confident13 Ų1370.1 Ų70.18%0.0836%0.358CS..  trans-76.2136.7178.5-55.80000111.1T37 V53 E58 D77 A79T37-T55 PolarHBondContact OG1-OG1 2.88Å; V53-T55 PolarHBondContact O-N 3.5Å; T55-E58 HydrophobicContact CG2-CG 4.36Å; T55-D77 HydrophobicContact CG2-CB 4.1Å; T55-A79 WeakPolarHBondContact O-CA 3.02Å; T55-A79 WeakPolarHBondContact O-CB 3.34Å
56V86.3Confident89.9Confident71 Ų7167 Ų6743%0.4335%0.345SS..SBendtrans-91.8-73.1166.4178.90000108.5A79 Y84V56-A79 WeakPolarHBondContact O-CB 3.39Å; V56-A79 PolarHBondContact O-N 2.93Å; V56-Y84 HydrophobicContact CB-CE1 4.32Å; V56-Y84 HydrophobicContact CG1-CD1 4.15Å; V56-Y84 HydrophobicContact CG1-CE1 3.6Å; V56-Y84 HydrophobicContact CG2-CE1 4.15Å
57F80.9Confident89.9Confident68 Ų6868.4 Ų68.430%0.29835%0.353SS..EExtended strand (participates in β ladder)trans-151.3129.2169-66.6-72.9000109.1D77 T78 Y84 L87F57-D77 WeakPolarHBondContact CA-O 3.19Å; F57-T78 HydrophobicContact CD1-CG2 4.48Å; F57-T78 HydrophobicContact CE1-CG2 4.33Å; F57-Y84 HydrophobicContact CE2-CD1 4.41Å; F57-L87 HydrophobicContact CE2-CB 3.7Å; F57-L87 HydrophobicContact CE2-CD1 4.49Å; F57-L87 HydrophobicContact CZ-CB 3.82Å
58E90.3Very high89.7Confident76 Ų7669 Ų6936%0.35536%0.36SS..EExtended strand (participates in β ladder)trans-132.1148.6173.7-71-154.3-154.900111.2T55 Y60 D77T55-E58 HydrophobicContact CG2-CG 4.36Å; E58-Y60 HydrophobicContact CB-CD2 4.44Å; E58-Y60 HydrophobicContact CB-CE2 3.63Å; E58-Y60 PolarHBondContact OE2-OH 3.44Å; E58-D77 HydrophobicContact CB-CB 4.18Å; E58-D77 PolarHBondContact N-O 2.96Å; E58-D77 PolarHBondContact O-N 3.47Å
59N91.3Very high89.6Confident66 Ų6670.9 Ų70.935%0.35337%0.368SS..EExtended strand (participates in β ladder)trans-121.5121.1178.3-72.8-53.9000109.6L75N59-L75 WeakPolarHBondContact CA-O 3.42Å
60Y92Very high89.8Confident6 Ų673.9 Ų73.92%0.02438%0.379CS..EExtended strand (participates in β ladder)trans-115159.3175-49.7-93.1000109.9L40 I41 E58 L75 D77L40-Y60 HydrophobicContact CB-CD2 4.46Å; L40-Y60 HydrophobicContact CD1-CD2 4.26Å; L40-Y60 HydrophobicContact CD1-CE2 4.38Å; I41-Y60 HydrophobicContact CG1-CE1 4.22Å; E58-Y60 HydrophobicContact CB-CD2 4.44Å; E58-Y60 HydrophobicContact CB-CE2 3.63Å; E58-Y60 PolarHBondContact OE2-OH 3.44Å; Y60-L75 PolarHBondContact N-O 2.9Å; Y60-L75 PolarHBondContact O-N 2.77Å; Y60-D77 HydrophobicContact CE2-CB 4.06Å
61V93.5Very high90.1Very high18 Ų1866 Ų6611%0.10934%0.342CS..EExtended strand (participates in β ladder)trans-127132.9171-179.10000107.8R4 E72 L73R4-V61 HydrophobicContact CG-CB 4.35Å; R4-V61 HydrophobicContact CG-CG1 4.4Å; V61-E72 HydrophobicContact CG1-CG 3.54Å; V61-L73 WeakPolarHBondContact CA-O 3.35Å
62A94.2Very high90.5Very high7 Ų761.9 Ų61.96%0.05832%0.316CS..EExtended strand (participates in β ladder)trans-141.3140.7176.700000109.9F43 L73 L75F43-A62 HydrophobicContact CD1-CB 3.91Å; F43-A62 HydrophobicContact CE1-CB 3.42Å; F43-A62 VanDerWaalsContact CE1-CB 3.42Å; F43-A62 HydrophobicContact CZ-CB 4.16Å; A62-L73 PolarHBondContact N-O 2.67Å; A62-L73 VanDerWaalsContact N-O 3.09Å; A62-L73 WeakPolarHBondContact O-CB 3.41Å; A62-L73 PolarHBondContact O-N 2.79Å; A62-L75 HydrophobicContact CB-CD1 3.99Å
63D94.3Very high91.1Very high84 Ų8455.2 Ų55.245%0.44929%0.289SS..EExtended strand (participates in β ladder)trans-95.6140.7175.6-60-55.6000110I71D63-I71 WeakPolarHBondContact CA-O 3.39Å
64I95.1Very high91.8Very high3 Ų352 Ų522%0.01527%0.274CS..EExtended strand (participates in β ladder)trans-141.5139.5174.9-165.4173.9000110.7F43 V66 I71 L73 F209 E210F43-I64 HydrophobicContact CE2-CD1 4.1Å; F43-I64 HydrophobicContact CZ-CB 4.19Å; F43-I64 HydrophobicContact CZ-CD1 4.09Å; I64-V66 HydrophobicContact CD1-CG2 3.95Å; I64-V66 HydrophobicContact CG1-CG2 3.89Å; I64-V66 HydrophobicContact CG2-CG2 4.18Å; I64-I71 HydrophobicContact CG2-CB 4.05Å; I64-I71 PolarHBondContact N-O 2.91Å; I64-I71 PolarHBondContact O-N 3.41Å; I64-L73 HydrophobicContact CG2-CD1 3.8Å; I64-L73 HydrophobicContact CG2-CG 4.04Å; I64-F209 HydrophobicContact CD1-CB 3.88Å; I64-E210 HydrophobicContact CD1-CB 4.47Å; I64-E210 HydrophobicContact CD1-CG 3.71Å
65E94.2Very high92.3Very high92 Ų9248.5 Ų48.543%0.4325%0.251SS..EExtended strand (participates in β ladder)trans-98.1122.3170.9-173.8174.1174.300109.7K69 Q70E65-K69 WeakPolarHBondContact CA-O 3.4Å; E65-Q70 PolarHBondContact OE2-NE2 3.15Å
66V93.5Very high93Very high4 Ų451.3 Ų51.32%0.02426%0.26CS..EExtended strand (participates in β ladder)trans-138.1126.5179.4-178.30000108.8I64 N68 K69 I71 E210 R214I64-V66 HydrophobicContact CD1-CG2 3.95Å; I64-V66 HydrophobicContact CG1-CG2 3.89Å; I64-V66 HydrophobicContact CG2-CG2 4.18Å; V66-N68 VanDerWaalsContact C-N 3.28Å; V66-N68 PolarHBondContact O-N 3.29Å; V66-K69 PolarHBondContact N-O 3.03Å; V66-K69 WeakPolarHBondContact O-CB 3.37Å; V66-K69 PolarHBondContact O-N 2.69Å; V66-I71 HydrophobicContact CB-CD1 4.17Å; V66-I71 HydrophobicContact CG2-CD1 4.47Å; V66-E210 HydrophobicContact CG2-CB 4.33Å; V66-E210 HydrophobicContact CG2-CG 4.13Å; V66-R214 HydrophobicContact CG1-CG 3.49Å; V66-R214 VanDerWaalsContact CG1-CG 3.49Å
67D92.1Very high93.5Very high95 Ų9548 Ų4851%0.50824%0.24SC..THydrogen-bonded Turntrans50.945.9178.6-48.8-27.3000112.5K69 R214D67-K69 PolarHBondContact O-N 3.25Å; D67-R214 IonicContact OD1-NE 3.49Å; D67-R214 PolarHBondContact OD1-NE 3.25Å; D67-R214 IonicContact OD2-NE 3.87Å
68N90.2Very high94.2Very high150 Ų15044.8 Ų44.880%0.80223%0.226SC*.THydrogen-bonded Turntrans59.523.2-176.1-55.3-36.4000114.9V66V66-N68 VanDerWaalsContact C-N 3.28Å; V66-N68 PolarHBondContact O-N 3.29Å
69K91.5Very high94.3Very high100 Ų10041.2 Ų41.244%0.43521%0.21SC..EExtended strand (participates in β ladder)trans-116.9127.9174.9-64.3175.6-178.2176.50110I22 E65 V66 D67 L217I22-K69 HydrophobicContact CD1-CB 4.14Å; I22-K69 HydrophobicContact CD1-CD 3.93Å; I22-K69 HydrophobicContact CD1-CG 4.34Å; E65-K69 WeakPolarHBondContact CA-O 3.4Å; V66-K69 PolarHBondContact N-O 3.03Å; V66-K69 WeakPolarHBondContact O-CB 3.37Å; V66-K69 PolarHBondContact O-N 2.69Å; D67-K69 PolarHBondContact O-N 3.25Å; K69-L217 HydrophobicContact CD-CD1 3.92Å; K69-L217 HydrophobicContact CD-CD2 4.2Å
70Q93.7Very high94.2Very high100 Ų10038.2 Ų38.247%0.46719%0.194SC..EExtended strand (participates in β ladder)trans-80.2122.7171-62.8-61.8-24.300109.7I22 E65I22-Q70 PolarHBondContact N-O 2.9Å; E65-Q70 PolarHBondContact OE2-NE2 3.15Å
71I94.9Very high94Very high2 Ų240.3 Ų40.31%0.0121%0.205CC..EExtended strand (participates in β ladder)trans-123.2122.7-176.4-54.1168.8000109.2I22 K24 D63 I64 V66 L73 L217I22-I71 HydrophobicContact CB-CG1 4.33Å; I22-I71 CarbonylContact O-C 3.58Å; I22-I71 VanDerWaalsContact O-CA 3.24Å; I22-I71 WeakPolarHBondContact O-CA 3.28Å; I22-I71 WeakPolarHBondContact O-CG2 3.41Å; K24-I71 HydrophobicContact CB-CG2 4.25Å; K24-I71 HydrophobicContact CG-CG2 3.98Å; D63-I71 WeakPolarHBondContact CA-O 3.39Å; I64-I71 HydrophobicContact CG2-CB 4.05Å; I64-I71 PolarHBondContact N-O 2.91Å; I64-I71 PolarHBondContact O-N 3.41Å; V66-I71 HydrophobicContact CB-CD1 4.17Å; V66-I71 HydrophobicContact CG2-CD1 4.47Å; I71-L73 HydrophobicContact CG2-CD2 3.76Å; I71-L73 HydrophobicContact CG2-CG 4.27Å; I71-L217 HydrophobicContact CD1-CD1 3.89Å; I71-L217 HydrophobicContact CD1-CD2 4.32Å; I71-L217 HydrophobicContact CD1-CG 4.15Å
72E95.7Very high93.6Very high27 Ų2745.7 Ų45.713%0.12623%0.228CC..EExtended strand (participates in β ladder)trans-89.2110.9169.2-175.1-175.666.800107.9R4 I22 R23 K24 V61R4-E72 IonicContact CZ-OE2 3.62Å; R4-E72 IonicContact NE-OE2 2.83Å; R4-E72 IonicContact NH2-OE2 3.28Å; R4-E72 PolarHBondContact NH2-OE2 2.77Å; I22-E72 PolarHBondContact O-N 2.69Å; R23-E72 WeakPolarHBondContact CA-O 3.46Å; R23-E72 VanDerWaalsContact CD-OE1 3.3Å; R23-E72 WeakPolarHBondContact CD-OE1 3.14Å; R23-E72 HydrophobicContact CG-CB 4.27Å; R23-E72 IonicContact CZ-OE1 3.55Å; R23-E72 IonicContact NE-OE1 3.28Å; R23-E72 PolarHBondContact NE-OE1 2.99Å; R23-E72 IonicContact NH2-OE1 3.03Å; K24-E72 PolarHBondContact N-O 2.81Å; V61-E72 HydrophobicContact CG1-CG 3.54Å
73L96.2Very high93.4Very high1 Ų152.2 Ų52.21%0.00526%0.262CS..EExtended strand (participates in β ladder)trans-89.6117.9176.9-63.8179.1000110.1K24 F43 V61 A62 I64 I71 L75 F209K24-L73 HydrophobicContact CB-CD2 3.96Å; K24-L73 WeakPolarHBondContact O-CA 3.45Å; F43-L73 HydrophobicContact CE1-CD1 4.01Å; F43-L73 HydrophobicContact CZ-CD1 4.16Å; V61-L73 WeakPolarHBondContact CA-O 3.35Å; A62-L73 PolarHBondContact N-O 2.67Å; A62-L73 VanDerWaalsContact N-O 3.09Å; A62-L73 WeakPolarHBondContact O-CB 3.41Å; A62-L73 PolarHBondContact O-N 2.79Å; I64-L73 HydrophobicContact CG2-CD1 3.8Å; I64-L73 HydrophobicContact CG2-CG 4.04Å; I71-L73 HydrophobicContact CG2-CD2 3.76Å; I71-L73 HydrophobicContact CG2-CG 4.27Å; L73-L75 HydrophobicContact CB-CD2 3.72Å; L73-L75 HydrophobicContact CB-CG 4.37Å; L73-L75 HydrophobicContact CD1-CD2 4.31Å; L73-F209 HydrophobicContact CD1-CB 4.24Å; L73-F209 HydrophobicContact CD1-CD1 4.08Å
74A97.1Very high93.2Very high36 Ų3651.4 Ų51.430%0.29825%0.253SS..EExtended strand (participates in β ladder)trans-84.1108163.300000108.6K24 L26K24-A74 PolarHBondContact O-N 2.96Å; L26-A74 PolarHBondContact N-O 3.46Å
75L97.5Very high93Very high0 Ų054 Ų540%027%0.268CS..EExtended strand (participates in β ladder)trans-96.3117.7-175.3-49.9175.4000109.9L26 L40 F43 N59 Y60 A62 L73 F209L26-L75 HydrophobicContact CB-CD2 4.16Å; L26-L75 HydrophobicContact CD1-CD2 4.24Å; L26-L75 HydrophobicContact CD2-CD2 4.12Å; L26-L75 HydrophobicContact CG-CD2 4.42Å; L40-L75 HydrophobicContact CD1-CB 4.44Å; L40-L75 HydrophobicContact CD2-CB 4.2Å; L40-L75 HydrophobicContact CD2-CD1 4.27Å; L40-L75 HydrophobicContact CD2-CD2 4.48Å; F43-L75 HydrophobicContact CD1-CD1 3.83Å; F43-L75 HydrophobicContact CE1-CD1 4.17Å; N59-L75 WeakPolarHBondContact CA-O 3.42Å; Y60-L75 PolarHBondContact N-O 2.9Å; Y60-L75 PolarHBondContact O-N 2.77Å; A62-L75 HydrophobicContact CB-CD1 3.99Å; L73-L75 HydrophobicContact CB-CD2 3.72Å; L73-L75 HydrophobicContact CB-CG 4.37Å; L73-L75 HydrophobicContact CD1-CD2 4.31Å; L75-F209 HydrophobicContact CD1-CE1 4.43Å; L75-F209 HydrophobicContact CD2-CD1 4.18Å; L75-F209 HydrophobicContact CD2-CE1 3.89Å
76W97.7Very high93Very high71 Ų7160.9 Ų60.927%0.26929%0.29SS..EExtended strand (participates in β ladder)trans-106105.8-179.2-73.267.5000109.9K25 L26 V27 I28K25-W76 VanDerWaalsContact CE-CE2 3.49Å; L26-W76 PolarHBondContact O-N 2.98Å; V27-W76 HydrophobicContact CB-CB 4.27Å; V27-W76 HydrophobicContact CG1-CB 4.44Å; V27-W76 HydrophobicContact CG2-CB 3.75Å; V27-W76 HydrophobicContact CG2-CG 4.13Å; I28-W76 WeakPolarHBondContact CG2-O 3.5Å; I28-W76 PolarHBondContact N-O 3.06Å; I28-W76 VanDerWaalsContact N-O 3.07Å
77D96.8Very high92.9Very high1 Ų164.7 Ų64.71%0.00531%0.309CS..EExtended strand (participates in β ladder)trans-84.5134.1176.1-157.2-3.1000111T37 L40 T55 F57 E58 Y60T37-D77 VanDerWaalsContact CA-OD2 3.3Å; T37-D77 WeakPolarHBondContact CA-OD2 3.47Å; T37-D77 WeakPolarHBondContact CB-OD2 3.44Å; T37-D77 WeakPolarHBondContact CG2-OD2 3.39Å; T37-D77 PolarHBondContact OG1-OD1 3.08Å; T37-D77 PolarHBondContact OG1-OD2 3.29Å; L40-D77 HydrophobicContact CD1-CB 3.51Å; T55-D77 HydrophobicContact CG2-CB 4.1Å; F57-D77 WeakPolarHBondContact CA-O 3.19Å; E58-D77 HydrophobicContact CB-CB 4.18Å; E58-D77 PolarHBondContact N-O 2.96Å; E58-D77 PolarHBondContact O-N 3.47Å; Y60-D77 HydrophobicContact CE2-CB 4.06Å
78T96.1Very high93.1Very high1 Ų160.1 Ų60.11%0.00629%0.285CS..EExtended strand (participates in β ladder)trans-124.4145.2-175.672.20000112.3V27 I28 K36 F57 R88V27-T78 HydrophobicContact CG1-CG2 3.84Å; I28-T78 WeakPolarHBondContact O-CG2 3.45Å; I28-T78 PolarHBondContact O-OG1 3.44Å; K36-T78 WeakPolarHBondContact CE-O 3.47Å; F57-T78 HydrophobicContact CD1-CG2 4.48Å; F57-T78 HydrophobicContact CE1-CG2 4.33Å; T78-R88 HydrophobicContact CG2-CG 4.19Å
79A93.3Very high93.4Very high1 Ų154.1 Ų54.11%0.00825%0.254CS..  trans-61.6132.6168.700000111.9T55 V56 Y84 R88T55-A79 WeakPolarHBondContact O-CA 3.02Å; T55-A79 WeakPolarHBondContact O-CB 3.34Å; V56-A79 WeakPolarHBondContact O-CB 3.39Å; V56-A79 PolarHBondContact O-N 2.93Å; A79-Y84 HydrophobicContact CB-CD1 4.26Å; A79-Y84 HydrophobicContact CB-CD2 3.38Å; A79-Y84 HydrophobicContact CB-CE2 4.15Å; A79-Y84 HydrophobicContact CB-CG 3.45Å; A79-Y84 VanDerWaalsContact CB-CG 3.45Å; A79-R88 PolarHBondContact O-NE 3.45Å; A79-R88 PolarHBondContact O-NH2 3.26Å
80G88.4Confident93.5Very high3 Ų355.3 Ų55.33%0.03126%0.264CS..  trans-89.7-11175.600000114.3G30G30-G80 VanDerWaalsContact O-CA 3.25Å; G30-G80 WeakPolarHBondContact O-CA 3.42Å
81Q87.1Confident93.6Very high51 Ų5150.7 Ų50.724%0.23824%0.243CC..SBendtrans-76.3152-178.9-52.784.42.800111.3D83 Y84 R88Q81-D83 PolarHBondContact O-N 3.47Å; Q81-Y84 HydrophobicContact CB-CD2 4.26Å; Q81-Y84 PolarHBondContact O-N 3.38Å; Q81-R88 PolarHBondContact O-NH2 3.43Å
82E85.4Confident93.7Very high131 Ų13150.8 Ų50.861%0.61224%0.244SC*.G310 helixtrans-65.8-28.7-179.8-64.2-177.116800113Y84 N85 K136E82-Y84 PolarHBondContact O-N 3.02Å; E82-N85 VanDerWaalsContact O-CB 3.25Å; E82-N85 WeakPolarHBondContact O-CB 3.38Å; E82-N85 PolarHBondContact O-N 2.98Å; E82-N85 PolarHBondContact O-ND2 3.33Å; E82-K136 IonicContact OE1-NZ 2.66Å
83D89.7Confident93.7Very high144 Ų14452.7 Ų52.777%0.7726%0.258SS*.G310 helixtrans-53.8-25.4175.8-59.7-31.5000112.7Q81Q81-D83 PolarHBondContact O-N 3.47Å
84Y91.1Very high93.7Very high66 Ų6657.5 Ų57.526%0.25928%0.284SS..G310 helixtrans-102.87.7-179.3-62.4-80.9000114.1V56 F57 A79 Q81 E82 R86 L87 R88V56-Y84 HydrophobicContact CB-CE1 4.32Å; V56-Y84 HydrophobicContact CG1-CD1 4.15Å; V56-Y84 HydrophobicContact CG1-CE1 3.6Å; V56-Y84 HydrophobicContact CG2-CE1 4.15Å; F57-Y84 HydrophobicContact CE2-CD1 4.41Å; A79-Y84 HydrophobicContact CB-CD1 4.26Å; A79-Y84 HydrophobicContact CB-CD2 3.38Å; A79-Y84 HydrophobicContact CB-CE2 4.15Å; A79-Y84 HydrophobicContact CB-CG 3.45Å; A79-Y84 VanDerWaalsContact CB-CG 3.45Å; Q81-Y84 HydrophobicContact CB-CD2 4.26Å; Q81-Y84 PolarHBondContact O-N 3.38Å; E82-Y84 PolarHBondContact O-N 3.02Å; Y84-R86 PolarHBondContact O-N 3.28Å; Y84-R86 VanDerWaalsContact O-N 3.15Å; Y84-L87 HydrophobicContact CD1-CD1 4.16Å; Y84-L87 PolarHBondContact O-N 3.38Å; Y84-R88 WeakPolarHBondContact O-CB 3.17Å; Y84-R88 PolarHBondContact O-N 2.79Å
85N91.3Very high93.6Very high59 Ų5955.9 Ų55.932%0.31627%0.27SS..THydrogen-bonded Turntrans-56.3-33.3-178.9-75.6-10.9000113.2E82 R88 P89E82-N85 VanDerWaalsContact O-CB 3.25Å; E82-N85 WeakPolarHBondContact O-CB 3.38Å; E82-N85 PolarHBondContact O-N 2.98Å; E82-N85 PolarHBondContact O-ND2 3.33Å; N85-R88 PolarHBondContact OD1-NH1 3.07Å; N85-R88 PolarHBondContact OD1-NH2 3.17Å; N85-P89 WeakPolarHBondContact O-CD 3.35Å
86R92.8Very high93.6Very high236 Ų23656.7 Ų56.789%0.89128%0.275SS*.THydrogen-bonded Turntrans-78.1-26178.1-65.9-176.8179.21740.3113.6Y84Y84-R86 PolarHBondContact O-N 3.28Å; Y84-R86 VanDerWaalsContact O-N 3.15Å
87L93Very high93.6Very high83 Ų8353.3 Ų53.344%0.43526%0.262SS..THydrogen-bonded Turntrans-94.9-30.2-176.5-64177.4000112.2F57 Y84 P89 L90F57-L87 HydrophobicContact CE2-CB 3.7Å; F57-L87 HydrophobicContact CE2-CD1 4.49Å; F57-L87 HydrophobicContact CZ-CB 3.82Å; Y84-L87 HydrophobicContact CD1-CD1 4.16Å; Y84-L87 PolarHBondContact O-N 3.38Å; L87-P89 VanDerWaalsContact C-CD 3.4Å; L87-P89 VanDerWaalsContact C-N 3.29Å; L87-L90 HydrophobicContact CD2-CD1 4.15Å; L87-L90 VanDerWaalsContact O-CB 3.28Å; L87-L90 WeakPolarHBondContact O-CB 3.45Å; L87-L90 WeakPolarHBondContact O-CG 3.48Å; L87-L90 PolarHBondContact O-N 2.9Å
88R95.8Very high93.7Very high0 Ų053.2 Ų53.20%026%0.261CS..G310 helixtrans-52.8-40.1180-164.3179.5-44.299.73.9113.4T78 A79 Q81 Y84 N85 L90 S91 Y92 E140T78-R88 HydrophobicContact CG2-CG 4.19Å; A79-R88 PolarHBondContact O-NE 3.45Å; A79-R88 PolarHBondContact O-NH2 3.26Å; Q81-R88 PolarHBondContact O-NH2 3.43Å; Y84-R88 WeakPolarHBondContact O-CB 3.17Å; Y84-R88 PolarHBondContact O-N 2.79Å; N85-R88 PolarHBondContact OD1-NH1 3.07Å; N85-R88 PolarHBondContact OD1-NH2 3.17Å; R88-L90 PolarHBondContact O-N 2.86Å; R88-L90 VanDerWaalsContact O-N 3.07Å; R88-S91 WeakPolarHBondContact O-CB 3.45Å; R88-S91 PolarHBondContact O-N 2.86Å; R88-Y92 WeakPolarHBondContact CD-OH 3.31Å; R88-E140 WeakPolarHBondContact CD-OE1 3.47Å; R88-E140 IonicContact CZ-OE1 3.61Å; R88-E140 VanDerWaalsContact NH1-CD 3.34Å; R88-E140 IonicContact NH1-OE1 3.61Å; R88-E140 PolarHBondContact NH1-OE1 3.46Å; R88-E140 IonicContact NH1-OE2 3Å; R88-E140 PolarHBondContact NH1-OE2 2.96Å
89P95.7Very high93.8Very high23 Ų2353.2 Ų53.215%0.14926%0.261CS..G310 helixtrans-57-25.1177.9-30.438.8000115.8N85 L87 S91 Y92 P93 F144N85-P89 WeakPolarHBondContact O-CD 3.35Å; L87-P89 VanDerWaalsContact C-CD 3.4Å; L87-P89 VanDerWaalsContact C-N 3.29Å; P89-S91 PolarHBondContact O-N 2.87Å; P89-S91 VanDerWaalsContact O-N 3.14Å; P89-Y92 VanDerWaalsContact CA-CD2 3.48Å; P89-Y92 HydrophobicContact CB-CD2 4.2Å; P89-Y92 HydrophobicContact CB-CE2 4.47Å; P89-Y92 HydrophobicContact CG-CE2 4.49Å; P89-Y92 PolarHBondContact O-N 2.66Å; P89-Y92 VanDerWaalsContact O-N 3.08Å; P89-P93 WeakPolarHBondContact O-CD 3.45Å; P89-F144 HydrophobicContact CB-CD1 4.1Å; P89-F144 HydrophobicContact CB-CD2 4.23Å; P89-F144 HydrophobicContact CB-CE1 3.65Å; P89-F144 HydrophobicContact CB-CE2 3.78Å; P89-F144 HydrophobicContact CB-CG 4.39Å; P89-F144 HydrophobicContact CB-CZ 3.48Å; P89-F144 VanDerWaalsContact CB-CZ 3.48Å; P89-F144 HydrophobicContact CG-CD2 4.24Å; P89-F144 HydrophobicContact CG-CE1 4.17Å; P89-F144 HydrophobicContact CG-CE2 3.49Å; P89-F144 VanDerWaalsContact CG-CE2 3.49Å; P89-F144 HydrophobicContact CG-CZ 3.45Å; P89-F144 VanDerWaalsContact CG-CZ 3.45Å
90L94.5Very high94.1Very high125 Ų12553.1 Ų53.165%0.65426%0.261SS*.G310 helixtrans-63.8-17.9176.4-57.6176.1000112.7L87 R88 P93L87-L90 HydrophobicContact CD2-CD1 4.15Å; L87-L90 VanDerWaalsContact O-CB 3.28Å; L87-L90 WeakPolarHBondContact O-CB 3.45Å; L87-L90 WeakPolarHBondContact O-CG 3.48Å; L87-L90 PolarHBondContact O-N 2.9Å; R88-L90 PolarHBondContact O-N 2.86Å; R88-L90 VanDerWaalsContact O-N 3.07Å; L90-P93 WeakPolarHBondContact O-CD 3.42Å
91S95.9Very high94.5Very high4 Ų453 Ų533%0.02826%0.259CS..G310 helixtrans-83.8-19.4176.2-600000113.4K25 V27 R88 P89K25-S91 WeakPolarHBondContact CE-O 3.33Å; K25-S91 PolarHBondContact NZ-O 2.92Å; V27-S91 WeakPolarHBondContact CG2-O 3.34Å; R88-S91 WeakPolarHBondContact O-CB 3.45Å; R88-S91 PolarHBondContact O-N 2.86Å; P89-S91 PolarHBondContact O-N 2.87Å; P89-S91 VanDerWaalsContact O-N 3.14Å
92Y97.2Very high95Very high4 Ų450.6 Ų50.62%0.01625%0.248CC..  trans-77-28.7-172.8-63.7-40000117.4V27 V29 R88 P89 D94 T95 I98 E140 F144V27-Y92 HydrophobicContact CG1-CD1 4.12Å; V27-Y92 HydrophobicContact CG1-CE1 4.01Å; V29-Y92 HydrophobicContact CG1-CE1 3.77Å; V29-Y92 WeakPolarHBondContact CG1-OH 3.47Å; R88-Y92 WeakPolarHBondContact CD-OH 3.31Å; P89-Y92 VanDerWaalsContact CA-CD2 3.48Å; P89-Y92 HydrophobicContact CB-CD2 4.2Å; P89-Y92 HydrophobicContact CB-CE2 4.47Å; P89-Y92 HydrophobicContact CG-CE2 4.49Å; P89-Y92 PolarHBondContact O-N 2.66Å; P89-Y92 VanDerWaalsContact O-N 3.08Å; Y92-D94 PolarHBondContact O-N 3.33Å; Y92-T95 WeakPolarHBondContact O-CB 3.42Å; Y92-T95 PolarHBondContact O-N 2.95Å; Y92-T95 VanDerWaalsContact O-N 3.15Å; Y92-T95 PolarHBondContact O-OG1 3.45Å; Y92-I98 HydrophobicContact CD1-CD1 4.24Å; Y92-I98 HydrophobicContact CE1-CD1 4.31Å; Y92-E140 HydrophobicContact CE2-CG 4.18Å; Y92-E140 PolarHBondContact OH-OE1 3.17Å; Y92-F144 HydrophobicContact CD2-CB 3.32Å; Y92-F144 HydrophobicContact CD2-CD1 4.38Å; Y92-F144 AromaticContact CD2-CD2 3.53Å; Y92-F144 HydrophobicContact CD2-CD2 3.53Å; Y92-F144 HydrophobicContact CD2-CE2 4.45Å; Y92-F144 AromaticContact CD2-CG 3.5Å; Y92-F144 HydrophobicContact CD2-CG 3.5Å; Y92-F144 VanDerWaalsContact CD2-CG 3.5Å; Y92-F144 HydrophobicContact CE2-CB 4.13Å; Y92-F144 AromaticContact CE2-CD2 3.62Å; Y92-F144 HydrophobicContact CE2-CD2 3.62Å; Y92-F144 HydrophobicContact CE2-CE2 4.36Å; Y92-F144 HydrophobicContact CE2-CG 4.09Å; Y92-F144 HydrophobicContact CG-CB 3.87Å; Y92-F144 HydrophobicContact CG-CG 4.46Å
93P95.7Very high95.5Very high67 Ų6744.3 Ų44.344%0.43522%0.219SC..THydrogen-bonded Turntrans-51.1135.2179.3-30.636.2000112.3K25 P89 L90 T95K25-P93 WeakPolarHBondContact CE-O 3.24Å; K25-P93 PolarHBondContact NZ-O 2.86Å; P89-P93 WeakPolarHBondContact O-CD 3.45Å; L90-P93 WeakPolarHBondContact O-CD 3.42Å; P93-T95 PolarHBondContact O-N 3.45Å; P93-T95 VanDerWaalsContact O-N 3.14Å
94D94.5Very high95.7Very high101 Ų10137.5 Ų37.554%0.5418%0.182SC..THydrogen-bonded Turntrans62.69.7179.4-64.6-54.8000118.5Y92 D96 R224Y92-D94 PolarHBondContact O-N 3.33Å; D94-D96 PolarHBondContact O-N 3.09Å; D94-R224 PolarHBondContact O-NH1 3.25Å; D94-R224 VanDerWaalsContact O-NH1 3.07Å; D94-R224 IonicContact OD1-CZ 3.85Å; D94-R224 IonicContact OD1-NE 2.69Å; D94-R224 IonicContact OD1-NH1 3.63Å
95T96.8Very high95.7Very high2 Ų235.5 Ų35.51%0.01218%0.176CC..  trans-56136.9178.2-54.70000112.2V27 Y92 P93 V97 I98 T148 R224V27-T95 HydrophobicContact CB-CG2 3.99Å; V27-T95 HydrophobicContact CG2-CG2 3.73Å; V27-T95 VanDerWaalsContact CG2-OG1 3.23Å; V27-T95 WeakPolarHBondContact CG2-OG1 3.19Å; Y92-T95 WeakPolarHBondContact O-CB 3.42Å; Y92-T95 PolarHBondContact O-N 2.95Å; Y92-T95 VanDerWaalsContact O-N 3.15Å; Y92-T95 PolarHBondContact O-OG1 3.45Å; P93-T95 PolarHBondContact O-N 3.45Å; P93-T95 VanDerWaalsContact O-N 3.14Å; T95-V97 WeakPolarHBondContact CG2-O 3.37Å; T95-I98 HydrophobicContact CG2-CD1 3.77Å; T95-I98 HydrophobicContact CG2-CG1 4.22Å; T95-T148 HydrophobicContact CG2-CG2 4Å; T95-R224 PolarHBondContact O-NH2 3.39Å
96D97Very high95Very high17 Ų1734 Ų349%0.09117%0.166CC..SBendtrans-100.2-27.2178.3-66.6-67000112.8K24 K25 D94 P149 K221K24-D96 WeakPolarHBondContact CA-OD2 3.33Å; K24-D96 HydrophobicContact CB-CB 4.31Å; K24-D96 HydrophobicContact CD-CB 3.95Å; K25-D96 PolarHBondContact N-OD2 2.79Å; K25-D96 WeakPolarHBondContact O-CA 3.27Å; K25-D96 WeakPolarHBondContact O-CB 3.29Å; K25-D96 PolarHBondContact O-N 2.73Å; D94-D96 PolarHBondContact O-N 3.09Å; D96-P149 VanDerWaalsContact O-CD 3.23Å; D96-P149 WeakPolarHBondContact O-CD 3.34Å; D96-P149 VanDerWaalsContact O-CG 3.27Å; D96-P149 WeakPolarHBondContact O-CG 3.32Å; D96-K221 WeakPolarHBondContact OD1-CE 3.45Å; D96-K221 IonicContact OD1-NZ 2.72Å; D96-K221 PolarHBondContact OD1-NZ 3.21Å; D96-K221 IonicContact OD2-NZ 3.7Å
97V98Very high93.7Very high0 Ų027 Ų270%014%0.14CC..EExtended strand (participates in β ladder)trans-154.8145.6174.161.90000110.9K25 L26 V27 T95 P149 I151 A212 A215 C216K25-V97 PolarHBondContact O-N 3.47Å; L26-V97 WeakPolarHBondContact CA-O 3.29Å; L26-V97 HydrophobicContact CB-CG1 3.81Å; L26-V97 HydrophobicContact CD1-CG1 3.96Å; L26-V97 HydrophobicContact CG-CG1 3.83Å; V27-V97 PolarHBondContact N-O 3.33Å; V27-V97 VanDerWaalsContact N-O 3.11Å; T95-V97 WeakPolarHBondContact CG2-O 3.37Å; V97-P149 HydrophobicContact CB-CG 4.16Å; V97-P149 HydrophobicContact CG2-CG 4.18Å; V97-I151 HydrophobicContact CG2-CG1 4.04Å; V97-A212 HydrophobicContact CG1-CB 4.15Å; V97-A212 HydrophobicContact CG2-CB 4.05Å; V97-A215 HydrophobicContact CG2-CB 4.46Å; V97-C216 WeakPolarHBondContact CB-SG 3.36Å; V97-C216 WeakPolarHBondContact CG1-SG 3.34Å
98I98.5Very high92.2Very high0 Ų024.1 Ų24.10%013%0.125CC..EExtended strand (participates in β ladder)trans-106.8129.8173.6-62.2-75.3000108.9V27 V29 Y92 T95 M100 V141 T148 P149 I150 I151V27-I98 HydrophobicContact CB-CD1 3.93Å; V27-I98 HydrophobicContact CG1-CD1 4.35Å; V27-I98 CarbonylContact O-C 3.56Å; V27-I98 WeakPolarHBondContact O-CA 3.23Å; V29-I98 HydrophobicContact CG2-CG2 3.84Å; Y92-I98 HydrophobicContact CD1-CD1 4.24Å; Y92-I98 HydrophobicContact CE1-CD1 4.31Å; T95-I98 HydrophobicContact CG2-CD1 3.77Å; T95-I98 HydrophobicContact CG2-CG1 4.22Å; I98-M100 HydrophobicContact CG2-CB 4.39Å; I98-V141 HydrophobicContact CB-CG1 4.45Å; I98-V141 HydrophobicContact CD1-CG1 4.41Å; I98-V141 HydrophobicContact CG1-CG1 3.91Å; I98-V141 HydrophobicContact CG2-CG1 4.27Å; I98-V141 HydrophobicContact CG2-CG2 4.22Å; I98-T148 HydrophobicContact CG1-CG2 3.88Å; I98-P149 PolarHBondContact N-O 2.83Å; I98-I150 HydrophobicContact CB-CG1 4.23Å; I98-I150 WeakPolarHBondContact O-CA 3.41Å; I98-I151 PolarHBondContact O-N 3.07Å
99L98.8Very high90.2Very high0 Ų027.3 Ų27.30%014%0.144CC..EExtended strand (participates in β ladder)trans-92.2120.4158.7-64.7-170.5000108.1L26 V27 I28 V29 L39 I151 V153 V208 F209 A212L26-L99 HydrophobicContact CD1-CD1 3.99Å; L26-L99 HydrophobicContact CD1-CD2 4.36Å; L26-L99 HydrophobicContact CD1-CG 3.9Å; L26-L99 HydrophobicContact CD2-CD1 3.89Å; L26-L99 HydrophobicContact CD2-CG 3.86Å; L26-L99 HydrophobicContact CG-CD1 4.39Å; L26-L99 HydrophobicContact CG-CG 4.04Å; V27-L99 PolarHBondContact O-N 3.48Å; I28-L99 CarbonylContact C-O 3.53Å; I28-L99 WeakPolarHBondContact CA-O 3.24Å; I28-L99 HydrophobicContact CB-CB 4.18Å; I28-L99 HydrophobicContact CD1-CB 4.29Å; I28-L99 HydrophobicContact CD1-CD1 4.22Å; I28-L99 HydrophobicContact CG1-CB 3.84Å; V29-L99 PolarHBondContact N-O 2.93Å; L39-L99 HydrophobicContact CD2-CD1 4.37Å; L99-I151 HydrophobicContact CD2-CB 3.67Å; L99-I151 HydrophobicContact CD2-CG1 3.98Å; L99-I151 HydrophobicContact CD2-CG2 4.22Å; L99-V153 HydrophobicContact CB-CG2 4.35Å; L99-V153 HydrophobicContact CD2-CG2 3.99Å; L99-V208 HydrophobicContact CD1-CG1 3.82Å; L99-V208 HydrophobicContact CD2-CG1 4Å; L99-F209 HydrophobicContact CD1-CE1 4.18Å; L99-F209 HydrophobicContact CD1-CZ 4.41Å; L99-A212 HydrophobicContact CD2-CB 3.93Å
100M98.5Very high87.9Confident0 Ų029.8 Ų29.80%016%0.161CC..EExtended strand (participates in β ladder)trans-109.6106.9179.1-169.8177-78.400108.6V29 I98 I133 W137 I138 V141 I150 I151 V153 I189V29-M100 HydrophobicContact CG2-CB 4.3Å; V29-M100 HydrophobicContact CG2-CE 4.47Å; V29-M100 HydrophobicContact CG2-CG 4.16Å; I98-M100 HydrophobicContact CG2-CB 4.39Å; M100-I133 HydrophobicContact CG-CD1 3.67Å; M100-I133 HydrophobicContact CG-CG2 4.42Å; M100-I133 HydrophobicContact SD-CD1 4.21Å; M100-I133 HydrophobicContact SD-CG2 3.62Å; M100-W137 HydrophobicContact CE-CB 4.11Å; M100-W137 HydrophobicContact CG-CB 4.22Å; M100-W137 HydrophobicContact SD-CB 4.08Å; M100-I138 HydrophobicContact CE-CB 4.42Å; M100-I138 HydrophobicContact CE-CD1 4Å; M100-V141 HydrophobicContact CE-CB 3.86Å; M100-V141 HydrophobicContact CE-CG1 4.27Å; M100-V141 HydrophobicContact CE-CG2 3.66Å; M100-I150 HydrophobicContact CB-CG2 3.7Å; M100-I150 HydrophobicContact CE-CD1 4.17Å; M100-I150 HydrophobicContact CE-CG2 4.12Å; M100-I150 HydrophobicContact SD-CG2 4.23Å; M100-I151 PolarHBondContact N-O 2.89Å; M100-V153 PolarHBondContact O-N 3.45Å; M100-I189 HydrophobicContact SD-CD1 3.89Å
101C98.1Very high85.6Confident0 Ų026.1 Ų26.10%015%0.154CC..EExtended strand (participates in β ladder)trans-103.4137.3-166.9-66.10000113.1I28 V29 G30 K36 V153I28-C101 VanDerWaalsContact CD1-SG 3.52Å; I28-C101 VanDerWaalsContact CG1-SG 3.56Å; V29-C101 PolarHBondContact O-N 3.02Å; G30-C101 WeakPolarHBondContact CA-O 3.4Å; K36-C101 HydrophobicContact CG-CB 4.06Å; C101-V153 VanDerWaalsContact CA-O 3.32Å; C101-V153 WeakPolarHBondContact CA-O 3.38Å
102Y96.9Very high83.2Confident0 Ų036.3 Ų36.30%019%0.192CC..EExtended strand (participates in β ladder)trans-126.5173.8164.172.6-81.1000109.3I104 S129 L130 L152 V153 N155 V177 A182Y102-I104 HydrophobicContact CE2-CD1 3.74Å; Y102-S129 WeakPolarHBondContact CB-O 3.38Å; Y102-L130 HydrophobicContact CD1-CD1 3.8Å; Y102-L130 HydrophobicContact CD2-CB 4.06Å; Y102-L130 HydrophobicContact CD2-CD1 3.73Å; Y102-L130 HydrophobicContact CD2-CG 4.44Å; Y102-L130 HydrophobicContact CE1-CD1 3.98Å; Y102-L130 HydrophobicContact CE2-CD1 3.89Å; Y102-L130 HydrophobicContact CG-CB 4.37Å; Y102-L130 HydrophobicContact CG-CD1 3.69Å; Y102-L152 HydrophobicContact CD1-CD1 3.95Å; Y102-L152 HydrophobicContact CD1-CG 4.17Å; Y102-L152 HydrophobicContact CE1-CD1 4.26Å; Y102-L152 HydrophobicContact CE1-CD2 4.25Å; Y102-L152 HydrophobicContact CE1-CG 3.96Å; Y102-V153 WeakPolarHBondContact CD1-O 3.47Å; Y102-V153 PolarHBondContact N-O 3.02Å; Y102-N155 WeakPolarHBondContact O-CB 3.37Å; Y102-N155 PolarHBondContact O-N 3.4Å; Y102-V177 HydrophobicContact CD2-CG1 4.47Å; Y102-V177 HydrophobicContact CD2-CG2 4.18Å; Y102-V177 HydrophobicContact CE2-CB 3.92Å; Y102-V177 HydrophobicContact CE2-CG1 3.61Å; Y102-V177 HydrophobicContact CE2-CG2 4Å; Y102-A182 WeakPolarHBondContact OH-CB 3.48Å
103S95.4Very high80.6Confident0 Ų046 Ų460%023%0.234CC..EExtended strand (participates in β ladder)trans-114.9133.3-179.2-162.60000110.8D105 R106 S129 K156S103-D105 VanDerWaalsContact C-N 3.26Å; S103-D105 WeakPolarHBondContact CB-OD1 3.46Å; S103-D105 PolarHBondContact O-N 3.49Å; S103-D105 PolarHBondContact OG-OD1 2.86Å; S103-R106 PolarHBondContact O-N 2.72Å; S103-S129 PolarHBondContact N-OG 3.28Å; S103-S129 PolarHBondContact O-OG 3.41Å; S103-K156 VanDerWaalsContact OG-CD 3.22Å; S103-K156 WeakPolarHBondContact OG-CD 3.41Å; S103-K156 WeakPolarHBondContact OG-CE 3.23Å; S103-K156 PolarHBondContact OG-NZ 2.82Å
104I95Very high78.2Confident0 Ų049.9 Ų49.90%024%0.244CC..THydrogen-bonded Turntrans-63.2-32.9-179.5-66.1-58.3000112Y102 R106 N155 R160 P176 V177 E196Y102-I104 HydrophobicContact CE2-CD1 3.74Å; I104-R106 PolarHBondContact O-N 3.41Å; I104-N155 WeakPolarHBondContact CG1-O 3.2Å; I104-N155 PolarHBondContact N-O 3.23Å; I104-R160 HydrophobicContact CG2-CB 3.9Å; I104-R160 HydrophobicContact CG2-CG 4.42Å; I104-P176 HydrophobicContact CG2-CB 4.16Å; I104-P176 CarbonylContact O-C 3.15Å; I104-P176 WeakPolarHBondContact O-CA 3.35Å; I104-V177 HydrophobicContact CD1-CB 4.2Å; I104-V177 PolarHBondContact O-N 3.36Å; I104-E196 HydrophobicContact CD1-CG 4.41Å
105D90.8Very high75.9Confident24 Ų2456.2 Ų56.213%0.12826%0.261CS..THydrogen-bonded Turntrans-71.69178.268-8.9000114.5S103 Y107 K156 L159 V165S103-D105 VanDerWaalsContact C-N 3.26Å; S103-D105 WeakPolarHBondContact CB-OD1 3.46Å; S103-D105 PolarHBondContact O-N 3.49Å; S103-D105 PolarHBondContact OG-OD1 2.86Å; D105-Y107 PolarHBondContact O-N 3.22Å; D105-Y107 PolarHBondContact OD1-N 2.71Å; D105-K156 IonicContact OD1-NZ 3.51Å; D105-K156 IonicContact OD2-NZ 3.91Å; D105-K156 PolarHBondContact OD2-NZ 3Å; D105-L159 HydrophobicContact CB-CB 4.25Å; D105-L159 HydrophobicContact CB-CD1 3.88Å; D105-V165 HydrophobicContact CB-CG1 3.87Å
106R77.2Confident73.6Confident27 Ų2765.7 Ų65.710%0.10230%0.302CS..  trans46.935.6-176.4-69.3-162-170.2-128.37.2114S103 I104 H108 D128 L169 H175 V177 E181S103-R106 PolarHBondContact O-N 2.72Å; I104-R106 PolarHBondContact O-N 3.41Å; R106-H108 PolarHBondContact O-N 2.93Å; R106-D128 HydrophobicContact CB-CB 4.17Å; R106-D128 WeakPolarHBondContact CD-OD2 3.23Å; R106-D128 HydrophobicContact CG-CB 4.46Å; R106-D128 IonicContact CZ-OD2 2.72Å; R106-D128 IonicContact NE-OD2 3.99Å; R106-D128 IonicContact NH1-OD2 3.82Å; R106-D128 PolarHBondContact NH1-OD2 2.86Å; R106-L169 HydrophobicContact CB-CD2 4.01Å; R106-H175 VanDerWaalsContact CD-O 3.23Å; R106-H175 WeakPolarHBondContact CD-O 3.41Å; R106-H175 PolarHBondContact NE-O 3.46Å; R106-H175 PolarHBondContact NH2-CE1 3.06Å; R106-V177 HydrophobicContact CG-CG2 3.64Å; R106-E181 IonicContact CZ-OE1 2.97Å; R106-E181 IonicContact NH2-OE1 3.55Å; R106-E181 PolarHBondContact NH2-OE1 3.19Å; R106-E181 IonicContact NH2-OE2 2.87Å; R106-E181 PolarHBondContact NH2-OE2 3.44Å
107Y64.3Low71.3Confident89 Ų8969.6 Ų69.635%0.34933%0.331SS..  trans-46.7117.7-177.9-174.5-92.7000112A33 D105 V109A33-Y107 HydrophobicContact CB-CD1 4.32Å; A33-Y107 HydrophobicContact CB-CE1 4.01Å; D105-Y107 PolarHBondContact O-N 3.22Å; D105-Y107 PolarHBondContact OD1-N 2.71Å; Y107-V109 PolarHBondContact O-N 3.2Å
108H61.6Low68.9Low24 Ų2479.3 Ų79.311%0.11137%0.373CS..BIsolated β-bridgetrans-73.9125.5177.4-87.3-75.1000109.9R106 S110 S126 Q174R106-H108 PolarHBondContact O-N 2.93Å; H108-S110 PolarHBondContact O-N 3.02Å; H108-S126 PolarHBondContact CE1-O 3.14Å; H108-S126 VanDerWaalsContact CE1-O 3.25Å; H108-S126 PolarHBondContact CE1-OG 2.92Å; H108-S126 PolarHBondContact ND1-OG 3.17Å; H108-Q174 PolarHBondContact NE2-NE2 3.1Å; H108-Q174 PolarHBondContact NE2-OE1 3.47Å
109V54.2Low66.5Low66 Ų6684.2 Ų84.240%0.440%0.395SS..SBendtrans-64.9-6.2-175.5-176.90000112.9D31 Y107D31-V109 HydrophobicContact CB-CG2 3.92Å; D31-V109 WeakPolarHBondContact OD2-CG2 3.39Å; Y107-V109 PolarHBondContact O-N 3.2Å
110S47.9Very low64.2Low75 Ų7589.1 Ų89.152%0.52442%0.421SS..  trans-102.553.2179.366.30000114.1H108 R112H108-S110 PolarHBondContact O-N 3.02Å; S110-R112 PolarHBondContact O-N 2.87Å
111G45.2Very low61.7Low49 Ų4996.8 Ų96.851%0.50545%0.454SS..  trans-81.623.9-169.900000119.5K113G111-K113 PolarHBondContact O-N 2.85Å; G111-K113 VanDerWaalsContact O-N 3.16Å
112R45Very low59.3Low218 Ų218101.4 Ų101.482%0.82348%0.479SS*.SBendtrans-66.5115.7154.7-84.8-170.5-171.61665.2104.8S110 K114S110-R112 PolarHBondContact O-N 2.87Å; R112-K114 PolarHBondContact O-N 2.86Å
113K44.3Very low57.1Low206 Ų206103.6 Ų103.690%0.89649%0.491SS*.  trans-48.484.6169.3-70.9-179.6177.2177.60109.8G111 R115G111-K113 PolarHBondContact O-N 2.85Å; G111-K113 VanDerWaalsContact O-N 3.16Å; K113-R115 PolarHBondContact O-N 2.92Å; K113-R115 VanDerWaalsContact O-N 3.15Å
114K43.7Very low54.9Low149 Ų149109.9 Ų109.965%0.64852%0.522SS*.  trans-81.4101.9-179.5-81.3-172.3-179.8179.30106.6R112 F116R112-K114 PolarHBondContact O-N 2.86Å; K114-F116 PolarHBondContact O-N 3.14Å
115R46.6Very low52.9Low234 Ų234115.5 Ų115.588%0.88355%0.552SS**  trans-52.2124.9173.6-72.7167.768.7115.9-4.2109.9K113K113-R115 PolarHBondContact O-N 2.92Å; K113-R115 VanDerWaalsContact O-N 3.15Å
116F48.1Very low51.2Low201 Ų201115.9 Ų115.988%0.88256%0.556SS**SBendtrans55.8118.8147.2-90.8-100.8000121.3K114 F118K114-F116 PolarHBondContact O-N 3.14Å; F116-F118 PolarHBondContact O-N 3.28Å
117S49.2Very low50.4Low100 Ų100116.7 Ų116.770%0.69957%0.565SS**SBendtrans86.4-12.8131.2-158.10000122.4
118F47.9Very low51.3Low203 Ų203113 Ų11389%0.8955%0.551SS**SBendtrans-122.9-5.9174-158.5-104.9000114.5F116F116-F118 PolarHBondContact O-N 3.28Å
119F49Very low52.5Low104 Ų104111.9 Ų111.946%0.45655%0.546SS..  trans-101.1-3.3-172.6-138.2-96000114.8F121 N122 L123F119-F121 VanDerWaalsContact C-N 3.27Å; F119-F121 PolarHBondContact O-N 3.38Å; F119-N122 HydrophobicContact CD1-CB 4.27Å; F119-N122 HydrophobicContact CE1-CB 4.13Å; F119-N122 PolarHBondContact O-N 2.93Å; F119-N122 VanDerWaalsContact O-N 3.16Å; F119-L123 PolarHBondContact O-N 2.9Å
120L50.4Low54.2Low103 Ų103109.2 Ų109.254%0.53953%0.53SS..Hα-helixtrans-63-29.8-171.7-80.1160.3000113.5N122 L123 L172L120-N122 VanDerWaalsContact C-N 3.35Å; L120-N122 PolarHBondContact O-N 3.08Å; L120-L123 HydrophobicContact CD2-CD1 4.48Å; L120-L123 PolarHBondContact O-N 3.34Å; L120-L172 HydrophobicContact CD2-CD2 4.21Å
121F44.8Very low56.3Low160 Ų160107.2 Ų107.270%0.70252%0.515SS*.Hα-helixtrans-67.7-32.8177.4-168.9-99.6000113.1F119F119-F121 VanDerWaalsContact C-N 3.27Å; F119-F121 PolarHBondContact O-N 3.38Å
122N47.9Very low58.6Low98 Ų98105.6 Ų105.652%0.52450%0.495SS..Hα-helixtrans-82.9-16.1179.2-79.8-44.7000113.5F119 L120 N125F119-N122 HydrophobicContact CD1-CB 4.27Å; F119-N122 HydrophobicContact CE1-CB 4.13Å; F119-N122 PolarHBondContact O-N 2.93Å; F119-N122 VanDerWaalsContact O-N 3.16Å; L120-N122 VanDerWaalsContact C-N 3.35Å; L120-N122 PolarHBondContact O-N 3.08Å; N122-N125 PolarHBondContact O-N 3.15Å
123L51.3Low61Low46 Ų4695.2 Ų95.224%0.24146%0.456CS..Hα-helixtrans-75.5-28.6177.6-87.7159.9000113F119 L120 N125 S126F119-L123 PolarHBondContact O-N 2.9Å; L120-L123 HydrophobicContact CD2-CD1 4.48Å; L120-L123 PolarHBondContact O-N 3.34Å; L123-N125 PolarHBondContact O-N 3.11Å; L123-S126 PolarHBondContact O-N 3.07Å; L123-S126 PolarHBondContact O-OG 2.67Å
124M49.5Very low63.4Low132 Ų13289.1 Ų89.165%0.6543%0.429SS*.THydrogen-bonded Turntrans-64.6-22.2175.4-68.7-178.768.200112.7
125N52.9Low65.7Low118 Ų11888.2 Ų88.263%0.63143%0.428SS*.THydrogen-bonded Turntrans-1052.6-177.9-63.9-50.9000113.6N122 L123N122-N125 PolarHBondContact O-N 3.15Å; L123-N125 PolarHBondContact O-N 3.11Å
126S53.8Low68Low31 Ų3178.9 Ų78.922%0.21739%0.393CS..SBendtrans-79.6125.3174.655.60000110.2H108 L123 D128H108-S126 PolarHBondContact CE1-O 3.14Å; H108-S126 VanDerWaalsContact CE1-O 3.25Å; H108-S126 PolarHBondContact CE1-OG 2.92Å; H108-S126 PolarHBondContact ND1-OG 3.17Å; L123-S126 PolarHBondContact O-N 3.07Å; L123-S126 PolarHBondContact O-OG 2.67Å; S126-D128 PolarHBondContact O-N 3.31Å
127P60.9Low70.3Confident45 Ų4569.3 Ų69.329%0.29235%0.351SS..PPolyproline II helixtrans-62.7127.1179.625.4-33.2000109.7S131 N132P127-S131 VanDerWaalsContact C-OG 3.23Å; P127-S131 WeakPolarHBondContact CA-OG 3.43Å; P127-S131 WeakPolarHBondContact CB-OG 3.19Å; P127-N132 WeakPolarHBondContact CB-OD1 3.47Å; P127-N132 WeakPolarHBondContact CG-OD1 3.14Å; P127-N132 PolarHBondContact O-ND2 2.85Å
128D82.9Confident72.6Confident10 Ų1065.2 Ų65.25%0.05332%0.322CS..BIsolated β-bridgetrans-75.1173.3172.768.546.7000110.9R106 S126 L130 S131 N132R106-D128 HydrophobicContact CB-CB 4.17Å; R106-D128 WeakPolarHBondContact CD-OD2 3.23Å; R106-D128 HydrophobicContact CG-CB 4.46Å; R106-D128 IonicContact CZ-OD2 2.72Å; R106-D128 IonicContact NE-OD2 3.99Å; R106-D128 IonicContact NH1-OD2 3.82Å; R106-D128 PolarHBondContact NH1-OD2 2.86Å; S126-D128 PolarHBondContact O-N 3.31Å; D128-L130 PolarHBondContact O-N 3.12Å; D128-L130 VanDerWaalsContact O-N 3.09Å; D128-L130 WeakPolarHBondContact OD1-CA 3.44Å; D128-L130 VanDerWaalsContact OD1-CB 3.28Å; D128-L130 WeakPolarHBondContact OD1-CB 3.43Å; D128-L130 PolarHBondContact OD1-N 3.37Å; D128-S131 PolarHBondContact N-OG 3.37Å; D128-S131 PolarHBondContact O-N 3.32Å; D128-S131 VanDerWaalsContact O-N 3.14Å; D128-S131 PolarHBondContact O-OG 3.05Å; D128-S131 PolarHBondContact OD1-N 3.05Å; D128-N132 PolarHBondContact O-N 3.22Å; D128-N132 PolarHBondContact O-ND2 3.43Å
129S86.2Confident75Confident2 Ų259 Ų591%0.01430%0.301CS..THydrogen-bonded Turntrans-60.9-22.1-176.869.80000115.2D31 Y102 S103 I133D31-S129 VanDerWaalsContact OD2-CA 3.24Å; D31-S129 WeakPolarHBondContact OD2-CA 3.38Å; Y102-S129 WeakPolarHBondContact CB-O 3.38Å; S103-S129 PolarHBondContact N-OG 3.28Å; S103-S129 PolarHBondContact O-OG 3.41Å; S129-I133 WeakPolarHBondContact O-CG1 3.42Å
130L91.2Very high77.3Confident10 Ų1055.4 Ų55.45%0.05229%0.286CS..THydrogen-bonded Turntrans-83.5-39.7175.4-175.872.4000111.3Y102 D128 N132 I133 V177 E181 V185Y102-L130 HydrophobicContact CD1-CD1 3.8Å; Y102-L130 HydrophobicContact CD2-CB 4.06Å; Y102-L130 HydrophobicContact CD2-CD1 3.73Å; Y102-L130 HydrophobicContact CD2-CG 4.44Å; Y102-L130 HydrophobicContact CE1-CD1 3.98Å; Y102-L130 HydrophobicContact CE2-CD1 3.89Å; Y102-L130 HydrophobicContact CG-CB 4.37Å; Y102-L130 HydrophobicContact CG-CD1 3.69Å; D128-L130 PolarHBondContact O-N 3.12Å; D128-L130 VanDerWaalsContact O-N 3.09Å; D128-L130 WeakPolarHBondContact OD1-CA 3.44Å; D128-L130 VanDerWaalsContact OD1-CB 3.28Å; D128-L130 WeakPolarHBondContact OD1-CB 3.43Å; D128-L130 PolarHBondContact OD1-N 3.37Å; L130-N132 VanDerWaalsContact C-N 3.32Å; L130-I133 HydrophobicContact CD1-CG1 4.49Å; L130-I133 WeakPolarHBondContact O-CB 3.46Å; L130-I133 WeakPolarHBondContact O-CG1 3.08Å; L130-I133 PolarHBondContact O-N 3.26Å; L130-V177 HydrophobicContact CB-CG2 4.29Å; L130-V177 HydrophobicContact CD2-CG1 3.63Å; L130-V177 HydrophobicContact CD2-CG2 4.2Å; L130-E181 HydrophobicContact CD2-CB 3.94Å; L130-V185 HydrophobicContact CD1-CB 4.05Å; L130-V185 HydrophobicContact CD1-CG1 4.15Å; L130-V185 HydrophobicContact CD1-CG2 3.8Å; L130-V185 HydrophobicContact CD2-CG2 3.97Å; L130-V185 HydrophobicContact CG-CG2 3.73Å
131S91.8Very high79.5Confident32 Ų3250.5 Ų50.522%0.22426%0.26CS..Hα-helixtrans-67.1-35.7175.259.50000111.8P127 D128 I133 K134 E135P127-S131 VanDerWaalsContact C-OG 3.23Å; P127-S131 WeakPolarHBondContact CA-OG 3.43Å; P127-S131 WeakPolarHBondContact CB-OG 3.19Å; D128-S131 PolarHBondContact N-OG 3.37Å; D128-S131 PolarHBondContact O-N 3.32Å; D128-S131 VanDerWaalsContact O-N 3.14Å; D128-S131 PolarHBondContact O-OG 3.05Å; D128-S131 PolarHBondContact OD1-N 3.05Å; S131-I133 PolarHBondContact O-N 2.72Å; S131-I133 VanDerWaalsContact O-N 3.1Å; S131-K134 PolarHBondContact O-N 2.9Å; S131-E135 PolarHBondContact O-N 3.44Å; S131-E135 VanDerWaalsContact O-N 3.16Å
132N92.9Very high82Confident16 Ų1647 Ų479%0.08625%0.245CC..Hα-helixtrans-59.8-21.4173.1-73.8-31.8000113.2D31 P127 D128 L130 K134 K136 W137D31-N132 WeakPolarHBondContact OD2-CB 3.36Å; D31-N132 PolarHBondContact OD2-ND2 3.45Å; P127-N132 WeakPolarHBondContact CB-OD1 3.47Å; P127-N132 WeakPolarHBondContact CG-OD1 3.14Å; P127-N132 PolarHBondContact O-ND2 2.85Å; D128-N132 PolarHBondContact O-N 3.22Å; D128-N132 PolarHBondContact O-ND2 3.43Å; L130-N132 VanDerWaalsContact C-N 3.32Å; N132-K134 VanDerWaalsContact C-N 3.3Å; N132-K134 PolarHBondContact O-N 2.79Å; N132-K136 WeakPolarHBondContact O-CA 3.24Å; N132-K136 WeakPolarHBondContact O-CB 3.37Å; N132-K136 PolarHBondContact O-N 2.9Å; N132-W137 VanDerWaalsContact O-CD1 3.28Å; N132-W137 PolarHBondContact O-N 2.98Å
133I95.8Very high84.3Confident0 Ų049.1 Ų49.10%025%0.251CS..Iπ-helixtrans-58-46.1171.2-60.2-69.9000110.4M100 S129 L130 S131 I138 L152 V185 I189M100-I133 HydrophobicContact CG-CD1 3.67Å; M100-I133 HydrophobicContact CG-CG2 4.42Å; M100-I133 HydrophobicContact SD-CD1 4.21Å; M100-I133 HydrophobicContact SD-CG2 3.62Å; S129-I133 WeakPolarHBondContact O-CG1 3.42Å; L130-I133 HydrophobicContact CD1-CG1 4.49Å; L130-I133 WeakPolarHBondContact O-CB 3.46Å; L130-I133 WeakPolarHBondContact O-CG1 3.08Å; L130-I133 PolarHBondContact O-N 3.26Å; S131-I133 PolarHBondContact O-N 2.72Å; S131-I133 VanDerWaalsContact O-N 3.1Å; I133-I138 WeakPolarHBondContact O-CB 3.46Å; I133-I138 VanDerWaalsContact O-CG2 3.28Å; I133-I138 WeakPolarHBondContact O-CG2 3.34Å; I133-I138 PolarHBondContact O-N 2.73Å; I133-L152 HydrophobicContact CD1-CD1 4.11Å; I133-L152 HydrophobicContact CG1-CD1 4.3Å; I133-L152 HydrophobicContact CG2-CD1 4.09Å; I133-V185 HydrophobicContact CB-CG1 3.96Å; I133-V185 HydrophobicContact CG2-CG1 3.55Å; I133-I189 HydrophobicContact CG2-CD1 4.14Å; I133-I189 HydrophobicContact CG2-CG2 3.99Å
134K94.8Very high86.5Confident77 Ų7751.2 Ų51.234%0.33526%0.259SS..Iπ-helixtrans-76.7-41.3-178.4-61.1-172.6178.3174.80112.2S131 N132 I138 V185 Y188S131-K134 PolarHBondContact O-N 2.9Å; N132-K134 VanDerWaalsContact C-N 3.3Å; N132-K134 PolarHBondContact O-N 2.79Å; K134-I138 WeakPolarHBondContact O-CG2 3.26Å; K134-V185 HydrophobicContact CG-CG1 4.34Å; K134-Y188 HydrophobicContact CB-CD1 4.32Å; K134-Y188 HydrophobicContact CB-CE1 3.87Å; K134-Y188 HydrophobicContact CD-CD1 3.78Å; K134-Y188 HydrophobicContact CD-CE1 3.92Å; K134-Y188 HydrophobicContact CD-CG 4.23Å; K134-Y188 HydrophobicContact CG-CD1 3.63Å; K134-Y188 HydrophobicContact CG-CE1 3.7Å
135E92.3Very high88.7Confident131 Ų13145 Ų4561%0.61223%0.229SC*.Iπ-helixtrans-82.4-31.1-171.4-66.6176.7-168.800113.2S131S131-E135 PolarHBondContact O-N 3.44Å; S131-E135 VanDerWaalsContact O-N 3.16Å
136K94.2Very high90.7Very high37 Ų3742.9 Ų42.916%0.16122%0.221CC..Iπ-helixtrans-127-52.8-169.6176.3-179174.3179.10113.9E82 N132 P139 E140E82-K136 IonicContact OE1-NZ 2.66Å; N132-K136 WeakPolarHBondContact O-CA 3.24Å; N132-K136 WeakPolarHBondContact O-CB 3.37Å; N132-K136 PolarHBondContact O-N 2.9Å; K136-P139 WeakPolarHBondContact O-CD 3.37Å; K136-E140 WeakPolarHBondContact O-CB 3.4Å; K136-E140 PolarHBondContact O-N 2.93Å
137W97Very high92.6Very high0 Ų048.3 Ų48.30%025%0.248CC..Iπ-helixtrans-76.1-41.8-169.1-63.2109.5000113.1V29 G30 D31 M100 N132 V141V29-W137 HydrophobicContact CB-CE3 3.88Å; V29-W137 HydrophobicContact CB-CZ3 4.07Å; V29-W137 HydrophobicContact CG2-CE3 4.26Å; G30-W137 VanDerWaalsContact CA-CE2 3.42Å; G30-W137 WeakPolarHBondContact O-CH2 3.36Å; G30-W137 WeakPolarHBondContact O-CZ2 3.41Å; D31-W137 WeakPolarHBondContact OD1-CZ2 3.41Å; D31-W137 PolarHBondContact OD1-NE1 3.27Å; M100-W137 HydrophobicContact CE-CB 4.11Å; M100-W137 HydrophobicContact CG-CB 4.22Å; M100-W137 HydrophobicContact SD-CB 4.08Å; N132-W137 VanDerWaalsContact O-CD1 3.28Å; N132-W137 PolarHBondContact O-N 2.98Å; W137-V141 WeakPolarHBondContact O-CB 3.46Å; W137-V141 WeakPolarHBondContact O-CG2 3.13Å; W137-V141 PolarHBondContact O-N 2.86Å
138I97.5Very high94.3Very high15 Ų1546.7 Ų46.78%0.07724%0.237CC..Hα-helixtrans-67.6-42.3178.9-16662.3000113.2M100 I133 K134 E140 V141 K142 I150 I189M100-I138 HydrophobicContact CE-CB 4.42Å; M100-I138 HydrophobicContact CE-CD1 4Å; I133-I138 WeakPolarHBondContact O-CB 3.46Å; I133-I138 VanDerWaalsContact O-CG2 3.28Å; I133-I138 WeakPolarHBondContact O-CG2 3.34Å; I133-I138 PolarHBondContact O-N 2.73Å; K134-I138 WeakPolarHBondContact O-CG2 3.26Å; I138-E140 PolarHBondContact O-N 3.12Å; I138-V141 PolarHBondContact O-N 2.96Å; I138-K142 HydrophobicContact CD1-CD 4.38Å; I138-K142 HydrophobicContact CD1-CG 3.74Å; I138-K142 HydrophobicContact CG1-CG 3.97Å; I138-K142 VanDerWaalsContact O-CB 3.31Å; I138-K142 WeakPolarHBondContact O-CB 3.42Å; I138-K142 VanDerWaalsContact O-CG 3.31Å; I138-K142 WeakPolarHBondContact O-CG 3.31Å; I138-K142 PolarHBondContact O-N 3.27Å; I138-I150 HydrophobicContact CD1-CD1 3.41Å; I138-I150 VanDerWaalsContact CD1-CD1 3.41Å; I138-I189 HydrophobicContact CB-CB 4.44Å; I138-I189 HydrophobicContact CB-CG2 3.91Å; I138-I189 HydrophobicContact CD1-CB 3.83Å; I138-I189 HydrophobicContact CD1-CG2 4.26Å; I138-I189 HydrophobicContact CG1-CB 3.89Å; I138-I189 HydrophobicContact CG1-CG2 3.87Å; I138-I189 HydrophobicContact CG2-CG2 4.06Å
139P97.3Very high95Very high71 Ų7147 Ų4746%0.46124%0.239SC..Hα-helixtrans-61.9-42.3175.4-23.437000112.4K136 H143K136-P139 WeakPolarHBondContact O-CD 3.37Å; P139-H143 WeakPolarHBondContact O-CB 3.45Å; P139-H143 PolarHBondContact O-N 3.23Å
140E97.6Very high95.5Very high29 Ų2947 Ų4714%0.13624%0.239CC..Hα-helixtrans-63.1-50.7177.7-172.9-179.5124.900111.5R88 Y92 K136 I138 K142 H143 F144R88-E140 WeakPolarHBondContact CD-OE1 3.47Å; R88-E140 IonicContact CZ-OE1 3.61Å; R88-E140 VanDerWaalsContact NH1-CD 3.34Å; R88-E140 IonicContact NH1-OE1 3.61Å; R88-E140 PolarHBondContact NH1-OE1 3.46Å; R88-E140 IonicContact NH1-OE2 3Å; R88-E140 PolarHBondContact NH1-OE2 2.96Å; Y92-E140 HydrophobicContact CE2-CG 4.18Å; Y92-E140 PolarHBondContact OH-OE1 3.17Å; K136-E140 WeakPolarHBondContact O-CB 3.4Å; K136-E140 PolarHBondContact O-N 2.93Å; I138-E140 PolarHBondContact O-N 3.12Å; E140-K142 PolarHBondContact O-N 3.06Å; E140-H143 WeakPolarHBondContact O-CB 3.33Å; E140-H143 PolarHBondContact O-N 3.48Å; E140-F144 HydrophobicContact CG-CD2 4.13Å; E140-F144 HydrophobicContact CG-CE2 4.14Å; E140-F144 VanDerWaalsContact O-CD2 3.31Å; E140-F144 WeakPolarHBondContact O-CD2 3.47Å; E140-F144 PolarHBondContact O-N 2.97Å
141V97.6Very high95.9Very high0 Ų046.5 Ų46.50%024%0.237CC..Hα-helixtrans-64.1-41.6-179.7169.80000111.2V29 I98 M100 W137 I138 H143 F144 C145 I150V29-V141 HydrophobicContact CG2-CG2 3.91Å; I98-V141 HydrophobicContact CB-CG1 4.45Å; I98-V141 HydrophobicContact CD1-CG1 4.41Å; I98-V141 HydrophobicContact CG1-CG1 3.91Å; I98-V141 HydrophobicContact CG2-CG1 4.27Å; I98-V141 HydrophobicContact CG2-CG2 4.22Å; M100-V141 HydrophobicContact CE-CB 3.86Å; M100-V141 HydrophobicContact CE-CG1 4.27Å; M100-V141 HydrophobicContact CE-CG2 3.66Å; W137-V141 WeakPolarHBondContact O-CB 3.46Å; W137-V141 WeakPolarHBondContact O-CG2 3.13Å; W137-V141 PolarHBondContact O-N 2.86Å; I138-V141 PolarHBondContact O-N 2.96Å; V141-H143 VanDerWaalsContact C-N 3.28Å; V141-H143 PolarHBondContact O-N 3.47Å; V141-F144 PolarHBondContact O-N 2.84Å; V141-C145 HydrophobicContact CG1-CB 4.15Å; V141-C145 CarbonylContact O-C 3.57Å; V141-C145 VanDerWaalsContact O-CA 3.24Å; V141-C145 WeakPolarHBondContact O-CA 3.31Å; V141-C145 VanDerWaalsContact O-CB 3.23Å; V141-C145 WeakPolarHBondContact O-CB 3.41Å; V141-C145 PolarHBondContact O-N 2.97Å; V141-I150 HydrophobicContact CG1-CD1 3.81Å; V141-I150 HydrophobicContact CG1-CG1 4.2Å
142K97Very high96.2Very high88 Ų8845 Ų4538%0.38323%0.226SC..Hα-helixtrans-67.7-28.9178.3-72.2-68.9-177.3-179.20112.7I138 E140 P146I138-K142 HydrophobicContact CD1-CD 4.38Å; I138-K142 HydrophobicContact CD1-CG 3.74Å; I138-K142 HydrophobicContact CG1-CG 3.97Å; I138-K142 VanDerWaalsContact O-CB 3.31Å; I138-K142 WeakPolarHBondContact O-CB 3.42Å; I138-K142 VanDerWaalsContact O-CG 3.31Å; I138-K142 WeakPolarHBondContact O-CG 3.31Å; I138-K142 PolarHBondContact O-N 3.27Å; E140-K142 PolarHBondContact O-N 3.06Å; K142-P146 WeakPolarHBondContact O-CA 3.33Å
143H97.1Very high96.5Very high141 Ų14144.2 Ų44.265%0.65322%0.222SC*.Hα-helixtrans-65.5-47.9173.8-177.378.8000112.2P139 E140 V141P139-H143 WeakPolarHBondContact O-CB 3.45Å; P139-H143 PolarHBondContact O-N 3.23Å; E140-H143 WeakPolarHBondContact O-CB 3.33Å; E140-H143 PolarHBondContact O-N 3.48Å; V141-H143 VanDerWaalsContact C-N 3.28Å; V141-H143 PolarHBondContact O-N 3.47Å
144F97Very high96.6Very high90 Ų9044.2 Ų44.240%0.39522%0.222SC..Hα-helixtrans-93.2-22.1-175.6-65.7-72.9000114.9P89 Y92 E140 V141P89-F144 HydrophobicContact CB-CD1 4.1Å; P89-F144 HydrophobicContact CB-CD2 4.23Å; P89-F144 HydrophobicContact CB-CE1 3.65Å; P89-F144 HydrophobicContact CB-CE2 3.78Å; P89-F144 HydrophobicContact CB-CG 4.39Å; P89-F144 HydrophobicContact CB-CZ 3.48Å; P89-F144 VanDerWaalsContact CB-CZ 3.48Å; P89-F144 HydrophobicContact CG-CD2 4.24Å; P89-F144 HydrophobicContact CG-CE1 4.17Å; P89-F144 HydrophobicContact CG-CE2 3.49Å; P89-F144 VanDerWaalsContact CG-CE2 3.49Å; P89-F144 HydrophobicContact CG-CZ 3.45Å; P89-F144 VanDerWaalsContact CG-CZ 3.45Å; Y92-F144 HydrophobicContact CD2-CB 3.32Å; Y92-F144 HydrophobicContact CD2-CD1 4.38Å; Y92-F144 AromaticContact CD2-CD2 3.53Å; Y92-F144 HydrophobicContact CD2-CD2 3.53Å; Y92-F144 HydrophobicContact CD2-CE2 4.45Å; Y92-F144 AromaticContact CD2-CG 3.5Å; Y92-F144 HydrophobicContact CD2-CG 3.5Å; Y92-F144 VanDerWaalsContact CD2-CG 3.5Å; Y92-F144 HydrophobicContact CE2-CB 4.13Å; Y92-F144 AromaticContact CE2-CD2 3.62Å; Y92-F144 HydrophobicContact CE2-CD2 3.62Å; Y92-F144 HydrophobicContact CE2-CE2 4.36Å; Y92-F144 HydrophobicContact CE2-CG 4.09Å; Y92-F144 HydrophobicContact CG-CB 3.87Å; Y92-F144 HydrophobicContact CG-CG 4.46Å; E140-F144 HydrophobicContact CG-CD2 4.13Å; E140-F144 HydrophobicContact CG-CE2 4.14Å; E140-F144 VanDerWaalsContact O-CD2 3.31Å; E140-F144 WeakPolarHBondContact O-CD2 3.47Å; E140-F144 PolarHBondContact O-N 2.97Å; V141-F144 PolarHBondContact O-N 2.84Å
145C95.9Very high96.7Very high3 Ų340.8 Ų40.82%0.0221%0.207CC..  trans-136.556.4-171.7-79.80000111.6V141 N147 T148V141-C145 HydrophobicContact CG1-CB 4.15Å; V141-C145 CarbonylContact O-C 3.57Å; V141-C145 VanDerWaalsContact O-CA 3.24Å; V141-C145 WeakPolarHBondContact O-CA 3.31Å; V141-C145 VanDerWaalsContact O-CB 3.23Å; V141-C145 WeakPolarHBondContact O-CB 3.41Å; V141-C145 PolarHBondContact O-N 2.97Å; C145-N147 VanDerWaalsContact C-N 3.29Å; C145-N147 PolarHBondContact O-N 3.16Å; C145-N147 VanDerWaalsContact O-N 3.17Å; C145-T148 WeakPolarHBondContact CB-OG1 3.32Å; C145-T148 PolarHBondContact O-N 3.02Å
146P94.4Very high96.9Very high73 Ų7336.6 Ų36.647%0.47419%0.187SC..THydrogen-bonded Turntrans-59.4-35.7-168.621.5-33.9000114.3K142K142-P146 WeakPolarHBondContact O-CA 3.33Å
147N92.9Very high97.1Very high145 Ų14535.5 Ų35.578%0.77518%0.184SC*.THydrogen-bonded Turntrans-106.27.1-175.6-59.4-43000113.6C145C145-N147 VanDerWaalsContact C-N 3.29Å; C145-N147 PolarHBondContact O-N 3.16Å; C145-N147 VanDerWaalsContact O-N 3.17Å
148T96.2Very high97.1Very high10 Ų1037.7 Ų37.76%0.06120%0.196CC..SBendtrans-83.1131.9-177.3-52.60000109.1T95 I98 C145T95-T148 HydrophobicContact CG2-CG2 4Å; I98-T148 HydrophobicContact CG1-CG2 3.88Å; C145-T148 WeakPolarHBondContact CB-OG1 3.32Å; C145-T148 PolarHBondContact O-N 3.02Å
149P97.5Very high97Very high16 Ų1638.5 Ų38.510%0.10420%0.2CC..  trans-65142.8176.728.7-34.5000110.2D96 V97 I98 A215 I219D96-P149 VanDerWaalsContact O-CD 3.23Å; D96-P149 WeakPolarHBondContact O-CD 3.34Å; D96-P149 VanDerWaalsContact O-CG 3.27Å; D96-P149 WeakPolarHBondContact O-CG 3.32Å; V97-P149 HydrophobicContact CB-CG 4.16Å; V97-P149 HydrophobicContact CG2-CG 4.18Å; I98-P149 PolarHBondContact N-O 2.83Å; P149-A215 HydrophobicContact CB-CB 4.06Å; P149-A215 HydrophobicContact CG-CB 4.19Å; P149-I219 HydrophobicContact CB-CD1 3.84Å; P149-I219 VanDerWaalsContact CD-CD1 3.5Å; P149-I219 HydrophobicContact CG-CD1 3.57Å
150I98.3Very high96.9Very high3 Ų336.7 Ų36.72%0.01518%0.184CC..EExtended strand (participates in β ladder)trans-116.9128.5-179-58.2172.1000108.1I98 M100 I138 V141 I189 A191 Y192I98-I150 HydrophobicContact CB-CG1 4.23Å; I98-I150 WeakPolarHBondContact O-CA 3.41Å; M100-I150 HydrophobicContact CB-CG2 3.7Å; M100-I150 HydrophobicContact CE-CD1 4.17Å; M100-I150 HydrophobicContact CE-CG2 4.12Å; M100-I150 HydrophobicContact SD-CG2 4.23Å; I138-I150 HydrophobicContact CD1-CD1 3.41Å; I138-I150 VanDerWaalsContact CD1-CD1 3.41Å; V141-I150 HydrophobicContact CG1-CD1 3.81Å; V141-I150 HydrophobicContact CG1-CG1 4.2Å; I150-I189 HydrophobicContact CG2-CD1 4.19Å; I150-A191 CarbonylContact O-C 3.39Å; I150-A191 WeakPolarHBondContact O-CA 3.25Å; I150-Y192 PolarHBondContact O-N 3.42Å
151I98.6Very high96.7Very high0 Ų044.2 Ų44.20%021%0.212CC..EExtended strand (participates in β ladder)trans-101.7122.2165.9-49.9-52000107.4V97 I98 L99 M100 V153 Y192 G193 I195 L211 A212 A215V97-I151 HydrophobicContact CG2-CG1 4.04Å; I98-I151 PolarHBondContact O-N 3.07Å; L99-I151 HydrophobicContact CD2-CB 3.67Å; L99-I151 HydrophobicContact CD2-CG1 3.98Å; L99-I151 HydrophobicContact CD2-CG2 4.22Å; M100-I151 PolarHBondContact N-O 2.89Å; I151-V153 HydrophobicContact CB-CG2 4.46Å; I151-V153 HydrophobicContact CG2-CG2 3.94Å; I151-Y192 HydrophobicContact CD1-CD1 3.63Å; I151-Y192 HydrophobicContact CD1-CG 4.23Å; I151-G193 WeakPolarHBondContact CA-O 3.49Å; I151-I195 HydrophobicContact CG2-CG2 3.97Å; I151-L211 HydrophobicContact CD1-CD2 4.36Å; I151-L211 HydrophobicContact CD1-CG 3.94Å; I151-L211 HydrophobicContact CG1-CG 4.48Å; I151-L211 HydrophobicContact CG2-CD2 3.69Å; I151-L211 HydrophobicContact CG2-CG 4.23Å; I151-A212 HydrophobicContact CG1-CB 4.07Å; I151-A215 HydrophobicContact CD1-CB 4.09Å
152L98.7Very high96.6Very high0 Ų047.2 Ų47.20%023%0.229CC..EExtended strand (participates in β ladder)trans-79.9125.1171-17467.6000108.6Y102 I133 A182 V185 I189 A191 G193 E194 I195Y102-L152 HydrophobicContact CD1-CD1 3.95Å; Y102-L152 HydrophobicContact CD1-CG 4.17Å; Y102-L152 HydrophobicContact CE1-CD1 4.26Å; Y102-L152 HydrophobicContact CE1-CD2 4.25Å; Y102-L152 HydrophobicContact CE1-CG 3.96Å; I133-L152 HydrophobicContact CD1-CD1 4.11Å; I133-L152 HydrophobicContact CG1-CD1 4.3Å; I133-L152 HydrophobicContact CG2-CD1 4.09Å; L152-A182 WeakPolarHBondContact CD2-O 3.33Å; L152-V185 HydrophobicContact CD2-CB 4.22Å; L152-V185 HydrophobicContact CD2-CG1 4.1Å; L152-I189 HydrophobicContact CB-CD1 4.36Å; L152-I189 HydrophobicContact CD1-CD1 4.11Å; L152-A191 HydrophobicContact CB-CB 4.28Å; L152-G193 PolarHBondContact N-O 2.76Å; L152-E194 HydrophobicContact CB-CB 4.37Å; L152-E194 HydrophobicContact CB-CG 4.31Å; L152-E194 HydrophobicContact CD2-CG 4.11Å; L152-E194 HydrophobicContact CG-CG 4.44Å; L152-E194 WeakPolarHBondContact O-CA 3.15Å; L152-I195 PolarHBondContact O-N 3.33Å
153V98.7Very high96.5Very high0 Ų048.9 Ų48.90%024%0.241CC..EExtended strand (participates in β ladder)trans-121.9117.1-175.9-174.20000110.8L39 L99 M100 C101 Y102 I151 N155 I195 V208L39-V153 HydrophobicContact CD2-CG1 4.02Å; L99-V153 HydrophobicContact CB-CG2 4.35Å; L99-V153 HydrophobicContact CD2-CG2 3.99Å; M100-V153 PolarHBondContact O-N 3.45Å; C101-V153 VanDerWaalsContact CA-O 3.32Å; C101-V153 WeakPolarHBondContact CA-O 3.38Å; Y102-V153 WeakPolarHBondContact CD1-O 3.47Å; Y102-V153 PolarHBondContact N-O 3.02Å; I151-V153 HydrophobicContact CB-CG2 4.46Å; I151-V153 HydrophobicContact CG2-CG2 3.94Å; V153-N155 WeakPolarHBondContact CG1-OD1 3.12Å; V153-I195 CarbonylContact C-O 3.51Å; V153-I195 VanDerWaalsContact CA-O 3.29Å; V153-I195 WeakPolarHBondContact CA-O 3.43Å; V153-I195 HydrophobicContact CG2-CG2 4.25Å; V153-V208 HydrophobicContact CG1-CG1 4.33Å; V153-V208 HydrophobicContact CG1-CG2 4.12Å; V153-V208 HydrophobicContact CG2-CG1 3.86Å
154G98.2Very high96.2Very high0 Ų049.6 Ų49.60%024%0.243CC..EExtended strand (participates in β ladder)trans-89102.9171.900000111.1I195 E196 C197G154-I195 PolarHBondContact N-O 2.72Å; G154-E196 CarbonylContact O-C 3.41Å; G154-E196 VanDerWaalsContact O-CA 3.27Å; G154-E196 WeakPolarHBondContact O-CA 3.33Å; G154-C197 PolarHBondContact O-N 3.23Å
155N97.9Very high95.8Very high4 Ų446.3 Ų46.32%0.02123%0.23CC..EExtended strand (participates in β ladder)trans-83.3159.1179.3-69.7-29.6000112C34 Y102 I104 V153 C197C34-N155 WeakPolarHBondContact O-CB 3.48Å; C34-N155 PolarHBondContact O-ND2 3.37Å; Y102-N155 WeakPolarHBondContact O-CB 3.37Å; Y102-N155 PolarHBondContact O-N 3.4Å; I104-N155 WeakPolarHBondContact CG1-O 3.2Å; I104-N155 PolarHBondContact N-O 3.23Å; V153-N155 WeakPolarHBondContact CG1-OD1 3.12Å; N155-C197 CarbonylContact C-O 3.41Å; N155-C197 WeakPolarHBondContact CA-O 3.13Å; N155-C197 PolarHBondContact OD1-SG 3.14Å; N155-C197 VanDerWaalsContact OD1-SG 3.38Å
156K96.3Very high95.6Very high44 Ų4449.2 Ų49.219%0.19124%0.244CC..  trans6541.5176.7-42-176.2-162.4157.60112.6A33 S103 D105 D158 L159 C197A33-K156 WeakPolarHBondContact O-CE 3.34Å; A33-K156 PolarHBondContact O-NZ 3.14Å; A33-K156 VanDerWaalsContact O-NZ 3.13Å; S103-K156 VanDerWaalsContact OG-CD 3.22Å; S103-K156 WeakPolarHBondContact OG-CD 3.41Å; S103-K156 WeakPolarHBondContact OG-CE 3.23Å; S103-K156 PolarHBondContact OG-NZ 2.82Å; D105-K156 IonicContact OD1-NZ 3.51Å; D105-K156 IonicContact OD2-NZ 3.91Å; D105-K156 PolarHBondContact OD2-NZ 3Å; K156-D158 WeakPolarHBondContact CA-OD1 3.49Å; K156-D158 PolarHBondContact O-N 3.39Å; K156-D158 VanDerWaalsContact O-N 3.13Å; K156-L159 HydrophobicContact CB-CD1 3.9Å; K156-L159 HydrophobicContact CB-CG 4.13Å; K156-L159 HydrophobicContact CD-CD1 3.77Å; K156-L159 HydrophobicContact CG-CD1 4.47Å; K156-L159 WeakPolarHBondContact O-CB 3.44Å; K156-L159 PolarHBondContact O-N 3.14Å; K156-C197 PolarHBondContact N-O 2.9Å
157S97.5Very high95.4Very high14 Ų1450.2 Ų50.210%0.09825%0.246CC..G310 helixtrans-53.7-29175.157.40000113.2L159 R160 C197 S198 E203S157-L159 PolarHBondContact O-N 2.99Å; S157-L159 VanDerWaalsContact O-N 3.14Å; S157-R160 WeakPolarHBondContact O-CB 3.38Å; S157-R160 PolarHBondContact O-N 2.58Å; S157-R160 VanDerWaalsContact O-N 3.14Å; S157-C197 PolarHBondContact N-O 2.97Å; S157-C197 VanDerWaalsContact N-O 3.08Å; S157-C197 PolarHBondContact OG-O 2.83Å; S157-S198 WeakPolarHBondContact OG-CB 3.41Å; S157-S198 PolarHBondContact OG-N 2.73Å; S157-E203 PolarHBondContact OG-OE2 2.94Å; S157-E203 VanDerWaalsContact OG-OE2 3.14Å
158D96.7Very high95.1Very high46 Ų4649 Ų4925%0.24624%0.235CC..G310 helixtrans-58.8-22.9175.459.2-69.2000113.9K156 S198 T201K156-D158 WeakPolarHBondContact CA-OD1 3.49Å; K156-D158 PolarHBondContact O-N 3.39Å; K156-D158 VanDerWaalsContact O-N 3.13Å; D158-S198 VanDerWaalsContact CG-OG 3.24Å; D158-S198 VanDerWaalsContact OD1-CB 3.23Å; D158-S198 WeakPolarHBondContact OD1-CB 2.91Å; D158-S198 PolarHBondContact OD1-OG 3.22Å; D158-T201 HydrophobicContact CB-CG2 3.97Å
159L95.5Very high94.6Very high32 Ų3249 Ų4917%0.16824%0.235CC..G310 helixtrans-88.4-3.4-179-61.7-175.5000114D105 K156 S157 Y161 D162 V165D105-L159 HydrophobicContact CB-CB 4.25Å; D105-L159 HydrophobicContact CB-CD1 3.88Å; K156-L159 HydrophobicContact CB-CD1 3.9Å; K156-L159 HydrophobicContact CB-CG 4.13Å; K156-L159 HydrophobicContact CD-CD1 3.77Å; K156-L159 HydrophobicContact CG-CD1 4.47Å; K156-L159 WeakPolarHBondContact O-CB 3.44Å; K156-L159 PolarHBondContact O-N 3.14Å; S157-L159 PolarHBondContact O-N 2.99Å; S157-L159 VanDerWaalsContact O-N 3.14Å; L159-Y161 VanDerWaalsContact C-N 3.29Å; L159-Y161 PolarHBondContact O-N 2.87Å; L159-D162 HydrophobicContact CD2-CB 4.25Å; L159-D162 PolarHBondContact O-N 2.87Å; L159-V165 HydrophobicContact CB-CG2 4.19Å; L159-V165 HydrophobicContact CD1-CG2 4.38Å; L159-V165 HydrophobicContact CD2-CG2 4.21Å; L159-V165 HydrophobicContact CG-CG2 4.49Å
160R94.5Very high94.2Very high33 Ų3351 Ų5113%0.12525%0.253CS..THydrogen-bonded Turntrans-62.3-37-178.8-175.3170.6-68.1-159.8-1.1113I104 S157 P176 V177 S179 E196I104-R160 HydrophobicContact CG2-CB 3.9Å; I104-R160 HydrophobicContact CG2-CG 4.42Å; S157-R160 WeakPolarHBondContact O-CB 3.38Å; S157-R160 PolarHBondContact O-N 2.58Å; S157-R160 VanDerWaalsContact O-N 3.14Å; R160-P176 HydrophobicContact CG-CB 4.3Å; R160-V177 VanDerWaalsContact CZ-O 3.31Å; R160-V177 PolarHBondContact NH2-O 2.89Å; R160-S179 PolarHBondContact NH1-OG 2.96Å; R160-E196 IonicContact CZ-OE1 3.91Å; R160-E196 IonicContact CZ-OE2 3.63Å; R160-E196 VanDerWaalsContact CZ-OE2 3.28Å; R160-E196 IonicContact NH1-OE1 3.2Å; R160-E196 IonicContact NH1-OE2 3.22Å; R160-E196 IonicContact NH2-OE1 3.95Å; R160-E196 PolarHBondContact NH2-OE1 2.98Å; R160-E196 IonicContact NH2-OE2 2.79Å; R160-E196 PolarHBondContact NH2-OE2 3.13Å
161Y95.2Very high93.5Very high187 Ų18761 Ų6173%0.73329%0.291SS*.THydrogen-bonded Turntrans-112.313.2-176.7-51-66.6000112.1L159 D163L159-Y161 VanDerWaalsContact C-N 3.29Å; L159-Y161 PolarHBondContact O-N 2.87Å; Y161-D163 PolarHBondContact O-N 3.39Å
162D93.8Very high92.6Very high63 Ų6363.4 Ų63.434%0.33730%0.303SS..  trans-75.6118.8176.1178.1-86.5000109.6L159 K164 V165 I166L159-D162 HydrophobicContact CD2-CB 4.25Å; L159-D162 PolarHBondContact O-N 2.87Å; D162-K164 PolarHBondContact O-N 2.85Å; D162-K164 WeakPolarHBondContact OD1-CA 3.3Å; D162-K164 VanDerWaalsContact OD1-CB 3.26Å; D162-K164 WeakPolarHBondContact OD1-CB 3.33Å; D162-K164 PolarHBondContact OD1-N 3.08Å; D162-V165 HydrophobicContact CB-CB 4.2Å; D162-V165 HydrophobicContact CB-CG2 4.2Å; D162-V165 PolarHBondContact O-N 2.64Å; D162-V165 VanDerWaalsContact O-N 3.15Å; D162-V165 WeakPolarHBondContact OD1-CG2 3.16Å; D162-V165 PolarHBondContact OD1-N 3.14Å; D162-I166 WeakPolarHBondContact O-CG1 3.28Å; D162-I166 PolarHBondContact O-N 3.43Å
163D94.9Very high92Very high122 Ų12266.7 Ų66.765%0.65234%0.337SS*.Hα-helixtrans-56.8-36.2-176.2-72.5-32.8000112.3Y161 N167Y161-D163 PolarHBondContact O-N 3.39Å; D163-N167 VanDerWaalsContact O-CB 3.23Å; D163-N167 WeakPolarHBondContact O-CB 3.35Å; D163-N167 PolarHBondContact O-N 2.71Å; D163-N167 PolarHBondContact O-ND2 2.93Å
164K91.6Very high91.4Very high157 Ų15768.2 Ų68.268%0.68334%0.344SS*.Hα-helixtrans-68.7-44.6-179-179.2-174.5175.2-1740110.4D162 N167 E168D162-K164 PolarHBondContact O-N 2.85Å; D162-K164 WeakPolarHBondContact OD1-CA 3.3Å; D162-K164 VanDerWaalsContact OD1-CB 3.26Å; D162-K164 WeakPolarHBondContact OD1-CB 3.33Å; D162-K164 PolarHBondContact OD1-N 3.08Å; K164-N167 PolarHBondContact O-N 3.3Å; K164-E168 WeakPolarHBondContact O-CB 3.21Å; K164-E168 PolarHBondContact O-N 3.22Å
165V89.2Confident91.1Very high21 Ų2172.3 Ų72.313%0.12736%0.363CS..Hα-helixtrans-64-46176.2172.60000111D105 L159 D162 N167 E168 L169 P176D105-V165 HydrophobicContact CB-CG1 3.87Å; L159-V165 HydrophobicContact CB-CG2 4.19Å; L159-V165 HydrophobicContact CD1-CG2 4.38Å; L159-V165 HydrophobicContact CD2-CG2 4.21Å; L159-V165 HydrophobicContact CG-CG2 4.49Å; D162-V165 HydrophobicContact CB-CB 4.2Å; D162-V165 HydrophobicContact CB-CG2 4.2Å; D162-V165 PolarHBondContact O-N 2.64Å; D162-V165 VanDerWaalsContact O-N 3.15Å; D162-V165 WeakPolarHBondContact OD1-CG2 3.16Å; D162-V165 PolarHBondContact OD1-N 3.14Å; V165-N167 VanDerWaalsContact C-N 3.34Å; V165-N167 PolarHBondContact O-N 3.43Å; V165-E168 PolarHBondContact O-N 3.47Å; V165-L169 HydrophobicContact CG1-CD1 3.76Å; V165-L169 HydrophobicContact CG1-CG 4.37Å; V165-L169 WeakPolarHBondContact O-CB 3.47Å; V165-L169 WeakPolarHBondContact O-CG 3.33Å; V165-L169 PolarHBondContact O-N 3.28Å; V165-P176 HydrophobicContact CG1-CG 4.45Å
166I90.8Very high90.9Very high63 Ų6372.8 Ų72.832%0.32337%0.367SS..Hα-helixtrans-57.9-48.6177.1-70.2169.2000110.5D162 E168 L169 A170 P176D162-I166 WeakPolarHBondContact O-CG1 3.28Å; D162-I166 PolarHBondContact O-N 3.43Å; I166-E168 PolarHBondContact O-N 2.87Å; I166-L169 PolarHBondContact O-N 2.96Å; I166-A170 VanDerWaalsContact O-CB 3.24Å; I166-A170 WeakPolarHBondContact O-CB 3.28Å; I166-A170 PolarHBondContact O-N 2.6Å; I166-P176 HydrophobicContact CG1-CG 4.05Å
167N90Very high90.8Very high94 Ų9470.7 Ų70.750%0.50336%0.358SS..Hα-helixtrans-66.1-36.4-179.3-75.4-47.6000112.8D163 K164 V165 R171D163-N167 VanDerWaalsContact O-CB 3.23Å; D163-N167 WeakPolarHBondContact O-CB 3.35Å; D163-N167 PolarHBondContact O-N 2.71Å; D163-N167 PolarHBondContact O-ND2 2.93Å; K164-N167 PolarHBondContact O-N 3.3Å; V165-N167 VanDerWaalsContact C-N 3.34Å; V165-N167 PolarHBondContact O-N 3.43Å; N167-R171 WeakPolarHBondContact O-CG 3.42Å; N167-R171 PolarHBondContact O-N 3.2Å
168E86.7Confident90.7Very high119 Ų11972.5 Ų72.556%0.55637%0.368SS*.Hα-helixtrans-68.1-44.5176.8-174.7169.2-179.700111.7K164 V165 I166 R171K164-E168 WeakPolarHBondContact O-CB 3.21Å; K164-E168 PolarHBondContact O-N 3.22Å; V165-E168 PolarHBondContact O-N 3.47Å; I166-E168 PolarHBondContact O-N 2.87Å; E168-R171 PolarHBondContact O-N 2.86Å
169L86.3Confident90.6Very high10 Ų1072.2 Ų72.25%0.05237%0.37CS..Hα-helixtrans-67-40.4176.6-69.8173.1000111.9R106 V165 I166 R171 L172 G173 Q174 P176R106-L169 HydrophobicContact CB-CD2 4.01Å; V165-L169 HydrophobicContact CG1-CD1 3.76Å; V165-L169 HydrophobicContact CG1-CG 4.37Å; V165-L169 WeakPolarHBondContact O-CB 3.47Å; V165-L169 WeakPolarHBondContact O-CG 3.33Å; V165-L169 PolarHBondContact O-N 3.28Å; I166-L169 PolarHBondContact O-N 2.96Å; L169-R171 PolarHBondContact O-N 2.88Å; L169-L172 CarbonylContact O-C 3.49Å; L169-L172 WeakPolarHBondContact O-CA 3.39Å; L169-L172 WeakPolarHBondContact O-CB 3.41Å; L169-L172 PolarHBondContact O-N 3.2Å; L169-G173 PolarHBondContact O-N 3.18Å; L169-Q174 CarbonylContact C-O 3.5Å; L169-Q174 HydrophobicContact CB-CB 4.17Å; L169-Q174 HydrophobicContact CD2-CB 4.15Å; L169-Q174 WeakPolarHBondContact O-CA 3.36Å; L169-Q174 PolarHBondContact O-N 2.95Å; L169-P176 HydrophobicContact CD1-CB 4.4Å; L169-P176 HydrophobicContact CD1-CG 3.86Å
170A87.9Confident90.7Very high59 Ų5975 Ų7549%0.48839%0.392SS..Hα-helixtrans-59.5-35.9177.700000112.2I166 L172 G173 Q174I166-A170 VanDerWaalsContact O-CB 3.24Å; I166-A170 WeakPolarHBondContact O-CB 3.28Å; I166-A170 PolarHBondContact O-N 2.6Å; A170-L172 PolarHBondContact O-N 3.28Å; A170-G173 PolarHBondContact O-N 2.63Å; A170-Q174 PolarHBondContact N-O 2.9Å
171R85.1Confident90.8Very high214 Ų21476 Ų7681%0.80840%0.398SS*.THydrogen-bonded Turntrans-63.8-21.5174-72.4171.7-177.71791.8113.6N167 E168 L169N167-R171 WeakPolarHBondContact O-CG 3.42Å; N167-R171 PolarHBondContact O-N 3.2Å; E168-R171 PolarHBondContact O-N 2.86Å; L169-R171 PolarHBondContact O-N 2.88Å
172L80Confident90.8Very high50 Ų5067.1 Ų67.126%0.26236%0.363SS..THydrogen-bonded Turntrans-99.36176.5-58.6176.3000112.4L120 L169 A170 Q174L120-L172 HydrophobicContact CD2-CD2 4.21Å; L169-L172 CarbonylContact O-C 3.49Å; L169-L172 WeakPolarHBondContact O-CA 3.39Å; L169-L172 WeakPolarHBondContact O-CB 3.41Å; L169-L172 PolarHBondContact O-N 3.2Å; A170-L172 PolarHBondContact O-N 3.28Å; L172-Q174 VanDerWaalsContact C-N 3.26Å; L172-Q174 HydrophobicContact CB-CG 4.36Å; L172-Q174 PolarHBondContact O-N 3.46Å
173G84.3Confident91Very high69 Ų6970.4 Ų70.471%0.71138%0.375SS*.THydrogen-bonded Turntrans69.424.5-174.100000113.3L169 A170L169-G173 PolarHBondContact O-N 3.18Å; A170-G173 PolarHBondContact O-N 2.63Å
174Q87.7Confident91.1Very high31 Ų3167.2 Ų67.215%0.14537%0.365CS..  trans-118.8170.7-177.1-64.3-172-35.600111.5H108 L169 A170 L172H108-Q174 PolarHBondContact NE2-NE2 3.1Å; H108-Q174 PolarHBondContact NE2-OE1 3.47Å; L169-Q174 CarbonylContact C-O 3.5Å; L169-Q174 HydrophobicContact CB-CB 4.17Å; L169-Q174 HydrophobicContact CD2-CB 4.15Å; L169-Q174 WeakPolarHBondContact O-CA 3.36Å; L169-Q174 PolarHBondContact O-N 2.95Å; A170-Q174 PolarHBondContact N-O 2.9Å; L172-Q174 VanDerWaalsContact C-N 3.26Å; L172-Q174 HydrophobicContact CB-CG 4.36Å; L172-Q174 PolarHBondContact O-N 3.46Å
175H91.3Very high91.4Very high86 Ų8660 Ų6040%0.39833%0.334SS..  trans-140.9159173.557.582.8000109.8R106 E181R106-H175 VanDerWaalsContact CD-O 3.23Å; R106-H175 WeakPolarHBondContact CD-O 3.41Å; R106-H175 PolarHBondContact NE-O 3.46Å; R106-H175 PolarHBondContact NH2-CE1 3.06Å; H175-E181 IonicContact CE1-OE1 2.96Å; H175-E181 IonicContact CE1-OE2 2.67Å; H175-E181 PolarHBondContact CE1-OE2 3.26Å; H175-E181 VanDerWaalsContact CE1-OE2 3.28Å; H175-E181 IonicContact ND1-OE2 3.9Å; H175-E181 IonicContact NE2-OE1 3.91Å
176P93.6Very high91.8Very high15 Ų1559.8 Ų59.810%0.09733%0.334CS..PPolyproline II helixtrans-51.7146.4171-2634.7000111.3I104 R160 V165 I166 L169 T178I104-P176 HydrophobicContact CG2-CB 4.16Å; I104-P176 CarbonylContact O-C 3.15Å; I104-P176 WeakPolarHBondContact O-CA 3.35Å; R160-P176 HydrophobicContact CG-CB 4.3Å; V165-P176 HydrophobicContact CG1-CG 4.45Å; I166-P176 HydrophobicContact CG1-CG 4.05Å; L169-P176 HydrophobicContact CD1-CB 4.4Å; L169-P176 HydrophobicContact CD1-CG 3.86Å; P176-T178 PolarHBondContact O-N 3.45Å
177V94.9Very high92.2Very high0 Ų060.6 Ų60.60%035%0.349CS..PPolyproline II helixtrans-56.4126.9-179.9175.80000109.5Y102 I104 R106 L130 R160 E181 A182Y102-V177 HydrophobicContact CD2-CG1 4.47Å; Y102-V177 HydrophobicContact CD2-CG2 4.18Å; Y102-V177 HydrophobicContact CE2-CB 3.92Å; Y102-V177 HydrophobicContact CE2-CG1 3.61Å; Y102-V177 HydrophobicContact CE2-CG2 4Å; I104-V177 HydrophobicContact CD1-CB 4.2Å; I104-V177 PolarHBondContact O-N 3.36Å; R106-V177 HydrophobicContact CG-CG2 3.64Å; L130-V177 HydrophobicContact CB-CG2 4.29Å; L130-V177 HydrophobicContact CD2-CG1 3.63Å; L130-V177 HydrophobicContact CD2-CG2 4.2Å; R160-V177 VanDerWaalsContact CZ-O 3.31Å; R160-V177 PolarHBondContact NH2-O 2.89Å; V177-E181 HydrophobicContact CG1-CB 4.29Å; V177-A182 HydrophobicContact CG1-CB 4.39Å
178T95.4Very high92.5Very high52 Ų5263.4 Ų63.432%0.31935%0.354SS..PPolyproline II helixtrans-84.2153.2175.166.70000110.6P176 S180 E181 A182P176-T178 PolarHBondContact O-N 3.45Å; T178-S180 PolarHBondContact O-N 3.41Å; T178-S180 VanDerWaalsContact O-N 3.17Å; T178-E181 PolarHBondContact N-OE2 3.09Å; T178-E181 PolarHBondContact O-N 3.15Å; T178-E181 VanDerWaalsContact O-N 3.12Å; T178-E181 VanDerWaalsContact OG1-CG 3.26Å; T178-E181 WeakPolarHBondContact OG1-CG 3.49Å; T178-E181 PolarHBondContact OG1-N 2.97Å; T178-E181 PolarHBondContact OG1-OE2 2.73Å; T178-A182 PolarHBondContact O-N 2.97Å
179S95Very high93Very high40 Ų4058.1 Ų58.128%0.2833%0.33SS..Hα-helixtrans-62.3-24.3174.9-55.70000112.7R160 K183 E196R160-S179 PolarHBondContact NH1-OG 2.96Å; S179-K183 VanDerWaalsContact O-CB 3.31Å; S179-K183 WeakPolarHBondContact O-CB 3.47Å; S179-K183 WeakPolarHBondContact O-CG 3.44Å; S179-K183 PolarHBondContact O-N 3.02Å; S179-E196 PolarHBondContact OG-OE1 3.35Å
180S96.6Very high93.5Very high91 Ų9160.3 Ų60.364%0.63636%0.355SS*.Hα-helixtrans-68.1-42.9174.5-171.10000111.8T178 K183 A184T178-S180 PolarHBondContact O-N 3.41Å; T178-S180 VanDerWaalsContact O-N 3.17Å; S180-K183 PolarHBondContact O-N 2.89Å; S180-A184 WeakPolarHBondContact O-CB 3.46Å; S180-A184 PolarHBondContact O-N 3.04Å
181E95.8Very high94Very high54 Ų5458.5 Ų58.525%0.25234%0.339SS..Hα-helixtrans-66.1-43.6176.1-68.3166.4125.700111.4R106 L130 H175 V177 T178 K183 A184 V185R106-E181 IonicContact CZ-OE1 2.97Å; R106-E181 IonicContact NH2-OE1 3.55Å; R106-E181 PolarHBondContact NH2-OE1 3.19Å; R106-E181 IonicContact NH2-OE2 2.87Å; R106-E181 PolarHBondContact NH2-OE2 3.44Å; L130-E181 HydrophobicContact CD2-CB 3.94Å; H175-E181 IonicContact CE1-OE1 2.96Å; H175-E181 IonicContact CE1-OE2 2.67Å; H175-E181 PolarHBondContact CE1-OE2 3.26Å; H175-E181 VanDerWaalsContact CE1-OE2 3.28Å; H175-E181 IonicContact ND1-OE2 3.9Å; H175-E181 IonicContact NE2-OE1 3.91Å; V177-E181 HydrophobicContact CG1-CB 4.29Å; T178-E181 PolarHBondContact N-OE2 3.09Å; T178-E181 PolarHBondContact O-N 3.15Å; T178-E181 VanDerWaalsContact O-N 3.12Å; T178-E181 VanDerWaalsContact OG1-CG 3.26Å; T178-E181 WeakPolarHBondContact OG1-CG 3.49Å; T178-E181 PolarHBondContact OG1-N 2.97Å; T178-E181 PolarHBondContact OG1-OE2 2.73Å; E181-K183 PolarHBondContact O-N 3.06Å; E181-A184 PolarHBondContact O-N 3.14Å; E181-V185 WeakPolarHBondContact O-CG2 3.4Å; E181-V185 PolarHBondContact O-N 2.79Å
182A96.6Very high94.5Very high0 Ų052.1 Ų52.10%032%0.316CS..Hα-helixtrans-58.6-46.2175.300000111.8Y102 L152 V177 T178 A184 V185 S186 E194Y102-A182 WeakPolarHBondContact OH-CB 3.48Å; L152-A182 WeakPolarHBondContact CD2-O 3.33Å; V177-A182 HydrophobicContact CG1-CB 4.39Å; T178-A182 PolarHBondContact O-N 2.97Å; A182-A184 PolarHBondContact O-N 2.8Å; A182-V185 PolarHBondContact O-N 2.86Å; A182-S186 WeakPolarHBondContact O-CB 3.44Å; A182-S186 PolarHBondContact O-N 2.87Å; A182-E194 HydrophobicContact CB-CG 4.46Å
183K97.4Very high95.4Very high132 Ų13250.5 Ų50.557%0.57431%0.311SS*.Hα-helixtrans-61.8-41.4175.2-76.8173.1-177.5-179.60112.4S179 S180 E181 V185 S186 A187S179-K183 VanDerWaalsContact O-CB 3.31Å; S179-K183 WeakPolarHBondContact O-CB 3.47Å; S179-K183 WeakPolarHBondContact O-CG 3.44Å; S179-K183 PolarHBondContact O-N 3.02Å; S180-K183 PolarHBondContact O-N 2.89Å; E181-K183 PolarHBondContact O-N 3.06Å; K183-V185 VanDerWaalsContact C-N 3.34Å; K183-V185 PolarHBondContact O-N 3.13Å; K183-S186 WeakPolarHBondContact O-CB 3.22Å; K183-S186 PolarHBondContact O-N 2.48Å; K183-A187 WeakPolarHBondContact O-CB 3.31Å; K183-A187 PolarHBondContact O-N 3.27Å
184A97.6Very high96Very high54 Ų5449.4 Ų49.445%0.44629%0.287SS..Hα-helixtrans-63-40176.600000111.9S180 E181 A182 Y188S180-A184 WeakPolarHBondContact O-CB 3.46Å; S180-A184 PolarHBondContact O-N 3.04Å; E181-A184 PolarHBondContact O-N 3.14Å; A182-A184 PolarHBondContact O-N 2.8Å; A184-Y188 WeakPolarHBondContact O-CB 3.47Å; A184-Y188 PolarHBondContact O-N 3.42Å
185V97.3Very high96.6Very high6 Ų649 Ų494%0.03629%0.286CS..Hα-helixtrans-68.4-43.9174.41770000111.3L130 I133 K134 L152 E181 A182 K183 A187 Y188 I189L130-V185 HydrophobicContact CD1-CB 4.05Å; L130-V185 HydrophobicContact CD1-CG1 4.15Å; L130-V185 HydrophobicContact CD1-CG2 3.8Å; L130-V185 HydrophobicContact CD2-CG2 3.97Å; L130-V185 HydrophobicContact CG-CG2 3.73Å; I133-V185 HydrophobicContact CB-CG1 3.96Å; I133-V185 HydrophobicContact CG2-CG1 3.55Å; K134-V185 HydrophobicContact CG-CG1 4.34Å; L152-V185 HydrophobicContact CD2-CB 4.22Å; L152-V185 HydrophobicContact CD2-CG1 4.1Å; E181-V185 WeakPolarHBondContact O-CG2 3.4Å; E181-V185 PolarHBondContact O-N 2.79Å; A182-V185 PolarHBondContact O-N 2.86Å; K183-V185 VanDerWaalsContact C-N 3.34Å; K183-V185 PolarHBondContact O-N 3.13Å; V185-A187 VanDerWaalsContact C-N 3.33Å; V185-A187 PolarHBondContact O-N 3.02Å; V185-Y188 WeakPolarHBondContact O-CB 3.14Å; V185-Y188 PolarHBondContact O-N 3.07Å; V185-Y188 VanDerWaalsContact O-N 3.16Å; V185-I189 HydrophobicContact CG1-CG2 4.39Å; V185-I189 WeakPolarHBondContact O-CG1 3.26Å; V185-I189 PolarHBondContact O-N 2.86Å
186S98.1Very high96.9Very high17 Ų1746.6 Ų46.612%0.11928%0.275CS..Hα-helixtrans-55-47.6176.31780000111.9A182 K183 I189 G190 A191A182-S186 WeakPolarHBondContact O-CB 3.44Å; A182-S186 PolarHBondContact O-N 2.87Å; K183-S186 WeakPolarHBondContact O-CB 3.22Å; K183-S186 PolarHBondContact O-N 2.48Å; S186-I189 WeakPolarHBondContact O-CG1 3.15Å; S186-I189 PolarHBondContact O-N 2.61Å; S186-G190 PolarHBondContact O-N 3Å; S186-A191 PolarHBondContact O-N 3.05Å
187A98Very high97.1Very high79 Ų7945.9 Ų45.965%0.65327%0.27SS*.Hα-helixtrans-63.1-45175.500000112K183 V185 I189 G190K183-A187 WeakPolarHBondContact O-CB 3.31Å; K183-A187 PolarHBondContact O-N 3.27Å; V185-A187 VanDerWaalsContact C-N 3.33Å; V185-A187 PolarHBondContact O-N 3.02Å; A187-I189 PolarHBondContact O-N 3.24Å; A187-G190 PolarHBondContact O-N 3.18Å
188Y97.2Very high97.3Very high154 Ų15445.9 Ų45.960%0.60427%0.27SS*.Hα-helixtrans-59.3-42179.1175-95000113K134 A184 V185 G190K134-Y188 HydrophobicContact CB-CD1 4.32Å; K134-Y188 HydrophobicContact CB-CE1 3.87Å; K134-Y188 HydrophobicContact CD-CD1 3.78Å; K134-Y188 HydrophobicContact CD-CE1 3.92Å; K134-Y188 HydrophobicContact CD-CG 4.23Å; K134-Y188 HydrophobicContact CG-CD1 3.63Å; K134-Y188 HydrophobicContact CG-CE1 3.7Å; A184-Y188 WeakPolarHBondContact O-CB 3.47Å; A184-Y188 PolarHBondContact O-N 3.42Å; V185-Y188 WeakPolarHBondContact O-CB 3.14Å; V185-Y188 PolarHBondContact O-N 3.07Å; V185-Y188 VanDerWaalsContact O-N 3.16Å; Y188-G190 VanDerWaalsContact C-N 3.31Å
189I97Very high97.4Very high8 Ų843.9 Ų43.94%0.04126%0.259CS..Hα-helixtrans-83.9-6.3-178.570.4175.9000113.8M100 I133 I138 I150 L152 V185 S186 A187 A191M100-I189 HydrophobicContact SD-CD1 3.89Å; I133-I189 HydrophobicContact CG2-CD1 4.14Å; I133-I189 HydrophobicContact CG2-CG2 3.99Å; I138-I189 HydrophobicContact CB-CB 4.44Å; I138-I189 HydrophobicContact CB-CG2 3.91Å; I138-I189 HydrophobicContact CD1-CB 3.83Å; I138-I189 HydrophobicContact CD1-CG2 4.26Å; I138-I189 HydrophobicContact CG1-CB 3.89Å; I138-I189 HydrophobicContact CG1-CG2 3.87Å; I138-I189 HydrophobicContact CG2-CG2 4.06Å; I150-I189 HydrophobicContact CG2-CD1 4.19Å; L152-I189 HydrophobicContact CB-CD1 4.36Å; L152-I189 HydrophobicContact CD1-CD1 4.11Å; V185-I189 HydrophobicContact CG1-CG2 4.39Å; V185-I189 WeakPolarHBondContact O-CG1 3.26Å; V185-I189 PolarHBondContact O-N 2.86Å; S186-I189 WeakPolarHBondContact O-CG1 3.15Å; S186-I189 PolarHBondContact O-N 2.61Å; A187-I189 PolarHBondContact O-N 3.24Å; I189-A191 HydrophobicContact CD1-CB 4.05Å; I189-A191 HydrophobicContact CG1-CB 3.89Å
190G96.7Very high97.5Very high56 Ų5648.5 Ų48.558%0.57727%0.274SS*.THydrogen-bonded Turntrans62.743.3-172.400000112.3S186 A187 Y188S186-G190 PolarHBondContact O-N 3Å; A187-G190 PolarHBondContact O-N 3.18Å; Y188-G190 VanDerWaalsContact C-N 3.31Å
191A97.7Very high97.5Very high20 Ų2048 Ų4817%0.16527%0.268CS..  trans-63.2143.8177.100000110.4I150 L152 S186 I189 G193I150-A191 CarbonylContact O-C 3.39Å; I150-A191 WeakPolarHBondContact O-CA 3.25Å; L152-A191 HydrophobicContact CB-CB 4.28Å; S186-A191 PolarHBondContact O-N 3.05Å; I189-A191 HydrophobicContact CD1-CB 4.05Å; I189-A191 HydrophobicContact CG1-CB 3.89Å; A191-G193 PolarHBondContact O-N 3.26Å
192Y97.3Very high97.6Very high81 Ų8149.8 Ų49.832%0.31827%0.274SS..SBendtrans-66.8-30.4172.2175.8-84.3000111.3I150 I151 L211 A215 K218I150-Y192 PolarHBondContact O-N 3.42Å; I151-Y192 HydrophobicContact CD1-CD1 3.63Å; I151-Y192 HydrophobicContact CD1-CG 4.23Å; Y192-L211 HydrophobicContact CD1-CD1 4.23Å; Y192-L211 HydrophobicContact CE1-CD1 3.97Å; Y192-A215 HydrophobicContact CD1-CB 3.46Å; Y192-A215 VanDerWaalsContact CD1-CB 3.46Å; Y192-A215 HydrophobicContact CD2-CB 4.11Å; Y192-A215 HydrophobicContact CE1-CB 3.59Å; Y192-A215 HydrophobicContact CE2-CB 4.22Å; Y192-A215 HydrophobicContact CG-CB 3.74Å; Y192-K218 HydrophobicContact CE2-CD 4.22Å; Y192-K218 VanDerWaalsContact OH-CD 3.29Å; Y192-K218 WeakPolarHBondContact OH-CD 3.33Å; Y192-K218 VanDerWaalsContact OH-CE 3.24Å; Y192-K218 WeakPolarHBondContact OH-CE 3.48Å; Y192-K218 PolarHBondContact OH-NZ 3.34Å; Y192-K218 VanDerWaalsContact OH-NZ 3.12Å
193G97.7Very high97.7Very high15 Ų1554.5 Ų54.516%0.15530%0.296CS..EExtended strand (participates in β ladder)trans-166.6165.4174.100000111.7I151 L152 A191I151-G193 WeakPolarHBondContact CA-O 3.49Å; L152-G193 PolarHBondContact N-O 2.76Å; A191-G193 PolarHBondContact O-N 3.26Å
194E98.1Very high97.7Very high47 Ų4750.8 Ų50.822%0.2228%0.283CS..EExtended strand (participates in β ladder)trans-127.7138.6177.6-179.2-84.8132.800108.7L152 A182 E196L152-E194 HydrophobicContact CB-CB 4.37Å; L152-E194 HydrophobicContact CB-CG 4.31Å; L152-E194 HydrophobicContact CD2-CG 4.11Å; L152-E194 HydrophobicContact CG-CG 4.44Å; L152-E194 WeakPolarHBondContact O-CA 3.15Å; A182-E194 HydrophobicContact CB-CG 4.46Å; E194-E196 WeakPolarHBondContact OE1-CG 3.41Å
195I98.6Very high97.8Very high23 Ų2348.5 Ų48.512%0.11826%0.263CS..EExtended strand (participates in β ladder)trans-152.7136.3179.8-175.3163.5000110.9I151 L152 V153 G154 N204 Q207 V208 L211I151-I195 HydrophobicContact CG2-CG2 3.97Å; L152-I195 PolarHBondContact O-N 3.33Å; V153-I195 CarbonylContact C-O 3.51Å; V153-I195 VanDerWaalsContact CA-O 3.29Å; V153-I195 WeakPolarHBondContact CA-O 3.43Å; V153-I195 HydrophobicContact CG2-CG2 4.25Å; G154-I195 PolarHBondContact N-O 2.72Å; I195-N204 HydrophobicContact CD1-CB 4.24Å; I195-N204 HydrophobicContact CG1-CB 4.38Å; I195-Q207 HydrophobicContact CD1-CB 3.6Å; I195-V208 HydrophobicContact CD1-CG2 4.13Å; I195-V208 HydrophobicContact CG1-CG2 4.24Å; I195-V208 HydrophobicContact CG2-CB 4.35Å; I195-V208 HydrophobicContact CG2-CG1 4.48Å; I195-V208 HydrophobicContact CG2-CG2 3.73Å; I195-L211 HydrophobicContact CB-CD2 4.21Å; I195-L211 HydrophobicContact CG2-CD2 3.99Å
196E98.4Very high97.8Very high34 Ų3454.4 Ų54.416%0.15929%0.285CS..EExtended strand (participates in β ladder)trans-98.4141.2173.2-55.5176.2-178.700109.7I104 G154 R160 S179 E194 N204I104-E196 HydrophobicContact CD1-CG 4.41Å; G154-E196 CarbonylContact O-C 3.41Å; G154-E196 VanDerWaalsContact O-CA 3.27Å; G154-E196 WeakPolarHBondContact O-CA 3.33Å; R160-E196 IonicContact CZ-OE1 3.91Å; R160-E196 IonicContact CZ-OE2 3.63Å; R160-E196 VanDerWaalsContact CZ-OE2 3.28Å; R160-E196 IonicContact NH1-OE1 3.2Å; R160-E196 IonicContact NH1-OE2 3.22Å; R160-E196 IonicContact NH2-OE1 3.95Å; R160-E196 PolarHBondContact NH2-OE1 2.98Å; R160-E196 IonicContact NH2-OE2 2.79Å; R160-E196 PolarHBondContact NH2-OE2 3.13Å; S179-E196 PolarHBondContact OG-OE1 3.35Å; E194-E196 WeakPolarHBondContact OE1-CG 3.41Å; E196-N204 WeakPolarHBondContact O-CB 3.41Å; E196-N204 PolarHBondContact O-ND2 3.29Å
197C98.6Very high97.8Very high0 Ų057.7 Ų57.70%030%0.298CS..EExtended strand (participates in β ladder)trans-147.1161.4179.3720000112.7G154 N155 K156 S157 E203 N204 V208G154-C197 PolarHBondContact O-N 3.23Å; N155-C197 CarbonylContact C-O 3.41Å; N155-C197 WeakPolarHBondContact CA-O 3.13Å; N155-C197 PolarHBondContact OD1-SG 3.14Å; N155-C197 VanDerWaalsContact OD1-SG 3.38Å; K156-C197 PolarHBondContact N-O 2.9Å; S157-C197 PolarHBondContact N-O 2.97Å; S157-C197 VanDerWaalsContact N-O 3.08Å; S157-C197 PolarHBondContact OG-O 2.83Å; C197-E203 WeakPolarHBondContact CA-O 3.23Å; C197-E203 VanDerWaalsContact CB-O 3.28Å; C197-E203 WeakPolarHBondContact CB-O 3.5Å; C197-N204 HydrophobicContact CB-CB 3.85Å; C197-V208 HydrophobicContact CB-CG2 3.9Å
198S98.3Very high97.9Very high0 Ų053.9 Ų53.90%027%0.267CS..  trans-124.9111.7168.2175.40000109.5S157 D158 K200 T201 K202 E203S157-S198 WeakPolarHBondContact OG-CB 3.41Å; S157-S198 PolarHBondContact OG-N 2.73Å; D158-S198 VanDerWaalsContact CG-OG 3.24Å; D158-S198 VanDerWaalsContact OD1-CB 3.23Å; D158-S198 WeakPolarHBondContact OD1-CB 2.91Å; D158-S198 PolarHBondContact OD1-OG 3.22Å; S198-K200 PolarHBondContact O-N 2.81Å; S198-K200 PolarHBondContact OG-N 3.16Å; S198-T201 WeakPolarHBondContact CB-OG1 3.47Å; S198-T201 PolarHBondContact OG-N 2.98Å; S198-T201 VanDerWaalsContact OG-N 3.12Å; S198-T201 PolarHBondContact OG-OG1 2.93Å; S198-K202 CarbonylContact O-C 3.59Å; S198-K202 WeakPolarHBondContact O-CA 3.48Å; S198-K202 PolarHBondContact O-N 3.43Å; S198-E203 PolarHBondContact N-O 2.91Å; S198-E203 PolarHBondContact O-N 2.88Å; S198-E203 VanDerWaalsContact O-N 3.17Å
199A97.8Very high97.9Very high10 Ų1046.6 Ų46.68%0.08324%0.238CC..THydrogen-bonded Turntrans-60.4-32169.900000111.5C38 V42 F48C38-A199 HydrophobicContact CB-CB 3.9Å; V42-A199 HydrophobicContact CB-CB 4.48Å; V42-A199 HydrophobicContact CG2-CB 4.08Å; V42-A199 WeakPolarHBondContact CG2-O 3.21Å; F48-A199 HydrophobicContact CD2-CB 4.13Å; F48-A199 WeakPolarHBondContact CD2-O 3.42Å; F48-A199 HydrophobicContact CE2-CB 3.95Å
200K96.6Very high98Very high137 Ų13748 Ų4860%0.59625%0.245SC*.THydrogen-bonded Turntrans-69.5-45.4-177.3-172.5-178178.9-172.70112.2F48 S198F48-K200 HydrophobicContact CD2-CB 4.31Å; F48-K200 HydrophobicContact CE2-CB 3.97Å; F48-K200 HydrophobicContact CZ-CB 4.28Å; S198-K200 PolarHBondContact O-N 2.81Å; S198-K200 PolarHBondContact OG-N 3.16Å
201T97.1Very high98Very high82 Ų8247 Ų4750%0.50323%0.226SC..THydrogen-bonded Turntrans-92.6-4.1178.3670000113D158 S198 E203D158-T201 HydrophobicContact CB-CG2 3.97Å; S198-T201 WeakPolarHBondContact CB-OG1 3.47Å; S198-T201 PolarHBondContact OG-N 2.98Å; S198-T201 VanDerWaalsContact OG-N 3.12Å; S198-T201 PolarHBondContact OG-OG1 2.93Å; T201-E203 PolarHBondContact O-N 3.44Å; T201-E203 WeakPolarHBondContact OG1-CB 3.28Å; T201-E203 PolarHBondContact OG1-N 3.47Å
202K97.8Very high98Very high91 Ų9146 Ų4640%0.39622%0.218SC..  trans64.88.8-172.4-51.3-178.2177-176.90114.3V42 D46 S198 N204 V205V42-K202 HydrophobicContact CG1-CG 3.93Å; D46-K202 VanDerWaalsContact CG-NZ 3.31Å; D46-K202 PolarHBondContact O-NZ 3.47Å; D46-K202 WeakPolarHBondContact OD1-CE 3.37Å; D46-K202 IonicContact OD1-NZ 3.64Å; D46-K202 PolarHBondContact OD1-NZ 2.93Å; D46-K202 IonicContact OD2-NZ 2.77Å; S198-K202 CarbonylContact O-C 3.59Å; S198-K202 WeakPolarHBondContact O-CA 3.48Å; S198-K202 PolarHBondContact O-N 3.43Å; K202-N204 PolarHBondContact O-N 3.29Å; K202-V205 PolarHBondContact O-N 2.76Å
203E98.4Very high98Very high99 Ų9942.2 Ų42.246%0.46320%0.203SC..THydrogen-bonded Turntrans-60.3129.2176.4-175.4-176.1-165.100110.8S157 C197 S198 T201 V205S157-E203 PolarHBondContact OG-OE2 2.94Å; S157-E203 VanDerWaalsContact OG-OE2 3.14Å; C197-E203 WeakPolarHBondContact CA-O 3.23Å; C197-E203 VanDerWaalsContact CB-O 3.28Å; C197-E203 WeakPolarHBondContact CB-O 3.5Å; S198-E203 PolarHBondContact N-O 2.91Å; S198-E203 PolarHBondContact O-N 2.88Å; S198-E203 VanDerWaalsContact O-N 3.17Å; T201-E203 PolarHBondContact O-N 3.44Å; T201-E203 WeakPolarHBondContact OG1-CB 3.28Å; T201-E203 PolarHBondContact OG1-N 3.47Å; E203-V205 PolarHBondContact O-N 3.36Å
204N98.5Very high98Very high53 Ų5345.3 Ų45.328%0.28321%0.21SC..THydrogen-bonded Turntrans57.44.8178-65.5-27.3000116.7I195 E196 C197 K202 R206 Q207 V208I195-N204 HydrophobicContact CD1-CB 4.24Å; I195-N204 HydrophobicContact CG1-CB 4.38Å; E196-N204 WeakPolarHBondContact O-CB 3.41Å; E196-N204 PolarHBondContact O-ND2 3.29Å; C197-N204 HydrophobicContact CB-CB 3.85Å; K202-N204 PolarHBondContact O-N 3.29Å; N204-R206 PolarHBondContact O-N 3.07Å; N204-Q207 VanDerWaalsContact C-OE1 3.29Å; N204-Q207 HydrophobicContact CB-CB 4.43Å; N204-Q207 WeakPolarHBondContact O-CB 3.03Å; N204-Q207 PolarHBondContact O-N 2.99Å; N204-Q207 VanDerWaalsContact O-N 3.15Å; N204-Q207 PolarHBondContact O-OE1 2.97Å; N204-V208 WeakPolarHBondContact O-CG2 3.39Å; N204-V208 PolarHBondContact O-N 2.99Å
205V98.6Very high97.8Very high7 Ų743.1 Ų43.14%0.04220%0.2CC..Hα-helixtrans-57.1-51.4-177.2171.10000110.5L39 V42 F43 K202 E203 Q207 V208 F209L39-V205 HydrophobicContact CD1-CB 4.42Å; L39-V205 HydrophobicContact CD1-CG1 4.01Å; L39-V205 HydrophobicContact CD1-CG2 4.14Å; V42-V205 HydrophobicContact CG1-CG1 4.1Å; V42-V205 HydrophobicContact CG1-CG2 4.14Å; F43-V205 HydrophobicContact CB-CG1 3.84Å; K202-V205 PolarHBondContact O-N 2.76Å; E203-V205 PolarHBondContact O-N 3.36Å; V205-Q207 VanDerWaalsContact C-N 3.32Å; V205-Q207 PolarHBondContact O-N 2.84Å; V205-V208 WeakPolarHBondContact O-CB 3.23Å; V205-V208 PolarHBondContact O-N 3.28Å; V205-F209 HydrophobicContact CG1-CE2 4.21Å; V205-F209 WeakPolarHBondContact O-CD2 3.07Å
206R97.9Very high97.5Very high130 Ų13042.1 Ų42.149%0.49120%0.195SC..Hα-helixtrans-61.2-42.4178.5-175179.6178.1108.10.4111.6N204 V208 F209 E210N204-R206 PolarHBondContact O-N 3.07Å; R206-V208 VanDerWaalsContact C-N 3.26Å; R206-V208 PolarHBondContact O-N 2.77Å; R206-F209 PolarHBondContact O-N 3.47Å; R206-E210 HydrophobicContact CG-CG 4.21Å; R206-E210 IonicContact NE-OE1 3.57Å; R206-E210 PolarHBondContact NE-OE1 3.26Å; R206-E210 WeakPolarHBondContact O-CG 3.38Å; R206-E210 PolarHBondContact O-N 3.39Å
207Q98.5Very high97Very high85 Ų8542.4 Ų42.440%0.39720%0.197SC..Hα-helixtrans-60.8-33.5-177.9-68.580-14.900112I195 N204 V205 E210 L211I195-Q207 HydrophobicContact CD1-CB 3.6Å; N204-Q207 VanDerWaalsContact C-OE1 3.29Å; N204-Q207 HydrophobicContact CB-CB 4.43Å; N204-Q207 WeakPolarHBondContact O-CB 3.03Å; N204-Q207 PolarHBondContact O-N 2.99Å; N204-Q207 VanDerWaalsContact O-N 3.15Å; N204-Q207 PolarHBondContact O-OE1 2.97Å; V205-Q207 VanDerWaalsContact C-N 3.32Å; V205-Q207 PolarHBondContact O-N 2.84Å; Q207-E210 PolarHBondContact O-N 3.37Å; Q207-L211 WeakPolarHBondContact O-CB 3.46Å; Q207-L211 PolarHBondContact O-N 3.15Å
208V98.7Very high96.2Very high0 Ų049.8 Ų49.80%023%0.229CC..Hα-helixtrans-58.2-49.9172174.50000110.6L39 L99 V153 I195 C197 N204 V205 R206 L211 A212L39-V208 HydrophobicContact CD2-CG1 4.33Å; L99-V208 HydrophobicContact CD1-CG1 3.82Å; L99-V208 HydrophobicContact CD2-CG1 4Å; V153-V208 HydrophobicContact CG1-CG1 4.33Å; V153-V208 HydrophobicContact CG1-CG2 4.12Å; V153-V208 HydrophobicContact CG2-CG1 3.86Å; I195-V208 HydrophobicContact CD1-CG2 4.13Å; I195-V208 HydrophobicContact CG1-CG2 4.24Å; I195-V208 HydrophobicContact CG2-CB 4.35Å; I195-V208 HydrophobicContact CG2-CG1 4.48Å; I195-V208 HydrophobicContact CG2-CG2 3.73Å; C197-V208 HydrophobicContact CB-CG2 3.9Å; N204-V208 WeakPolarHBondContact O-CG2 3.39Å; N204-V208 PolarHBondContact O-N 2.99Å; V205-V208 WeakPolarHBondContact O-CB 3.23Å; V205-V208 PolarHBondContact O-N 3.28Å; R206-V208 VanDerWaalsContact C-N 3.26Å; R206-V208 PolarHBondContact O-N 2.77Å; V208-L211 PolarHBondContact O-N 2.92Å; V208-A212 WeakPolarHBondContact O-CB 3.24Å; V208-A212 PolarHBondContact O-N 2.99Å
209F98.4Very high94.9Very high0 Ų053.3 Ų53.30%025%0.248CC..Hα-helixtrans-74.4-29.6-177.9-64.1-86.9000112.4L26 L39 L40 F43 I64 L73 L75 L99 V205 R206 S213L26-F209 HydrophobicContact CD1-CD1 3.97Å; L26-F209 HydrophobicContact CD1-CE1 4.17Å; L39-F209 HydrophobicContact CD1-CE2 3.97Å; L39-F209 HydrophobicContact CD1-CZ 4.47Å; L39-F209 HydrophobicContact CG-CE2 4.11Å; L39-F209 HydrophobicContact CG-CZ 4.11Å; L40-F209 HydrophobicContact CD2-CE1 3.87Å; L40-F209 HydrophobicContact CD2-CZ 3.86Å; F43-F209 HydrophobicContact CB-CD2 3.68Å; F43-F209 HydrophobicContact CB-CE1 4.38Å; F43-F209 HydrophobicContact CB-CE2 3.2Å; F43-F209 HydrophobicContact CB-CG 4.48Å; F43-F209 HydrophobicContact CB-CZ 3.59Å; F43-F209 HydrophobicContact CD1-CB 4.45Å; F43-F209 AromaticContact CD1-CD1 3.52Å; F43-F209 HydrophobicContact CD1-CD1 3.52Å; F43-F209 AromaticContact CD1-CD2 3.65Å; F43-F209 HydrophobicContact CD1-CD2 3.65Å; F43-F209 AromaticContact CD1-CE1 3.53Å; F43-F209 HydrophobicContact CD1-CE1 3.53Å; F43-F209 AromaticContact CD1-CE2 3.72Å; F43-F209 HydrophobicContact CD1-CE2 3.72Å; F43-F209 AromaticContact CD1-CG 3.58Å; F43-F209 HydrophobicContact CD1-CG 3.58Å; F43-F209 AromaticContact CD1-CZ 3.64Å; F43-F209 HydrophobicContact CD1-CZ 3.64Å; F43-F209 HydrophobicContact CD2-CB 4.11Å; F43-F209 HydrophobicContact CD2-CD1 4.48Å; F43-F209 AromaticContact CD2-CD2 3.28Å; F43-F209 HydrophobicContact CD2-CD2 3.28Å; F43-F209 AromaticContact CD2-CE2 3.82Å; F43-F209 HydrophobicContact CD2-CE2 3.82Å; F43-F209 AromaticContact CD2-CG 3.7Å; F43-F209 HydrophobicContact CD2-CG 3.7Å; F43-F209 HydrophobicContact CE1-CB 4Å; F43-F209 AromaticContact CE1-CD1 3.51Å; F43-F209 HydrophobicContact CE1-CD1 3.51Å; F43-F209 HydrophobicContact CE1-CD2 4.06Å; F43-F209 AromaticContact CE1-CE1 3.98Å; F43-F209 HydrophobicContact CE1-CE1 3.98Å; F43-F209 AromaticContact CE1-CG 3.56Å; F43-F209 HydrophobicContact CE1-CG 3.56Å; F43-F209 HydrophobicContact CE1-CZ 4.46Å; F43-F209 HydrophobicContact CE2-CB 3.63Å; F43-F209 HydrophobicContact CE2-CD1 4.48Å; F43-F209 AromaticContact CE2-CD2 3.75Å; F43-F209 HydrophobicContact CE2-CD2 3.75Å; F43-F209 AromaticContact CE2-CG 3.69Å; F43-F209 HydrophobicContact CE2-CG 3.69Å; F43-F209 HydrophobicContact CG-CB 4.49Å; F43-F209 HydrophobicContact CG-CD1 4.03Å; F43-F209 AromaticContact CG-CD2 3.23Å; F43-F209 HydrophobicContact CG-CD2 3.23Å; F43-F209 HydrophobicContact CG-CE1 4.04Å; F43-F209 AromaticContact CG-CE2 3.29Å; F43-F209 HydrophobicContact CG-CE2 3.29Å; F43-F209 AromaticContact CG-CG 3.65Å; F43-F209 HydrophobicContact CG-CG 3.65Å; F43-F209 AromaticContact CG-CZ 3.69Å; F43-F209 HydrophobicContact CG-CZ 3.69Å; F43-F209 HydrophobicContact CZ-CB 3.57Å; F43-F209 HydrophobicContact CZ-CD1 4.03Å; F43-F209 HydrophobicContact CZ-CD2 4.11Å; F43-F209 AromaticContact CZ-CG 3.62Å; F43-F209 HydrophobicContact CZ-CG 3.62Å; I64-F209 HydrophobicContact CD1-CB 3.88Å; L73-F209 HydrophobicContact CD1-CB 4.24Å; L73-F209 HydrophobicContact CD1-CD1 4.08Å; L75-F209 HydrophobicContact CD1-CE1 4.43Å; L75-F209 HydrophobicContact CD2-CD1 4.18Å; L75-F209 HydrophobicContact CD2-CE1 3.89Å; L99-F209 HydrophobicContact CD1-CE1 4.18Å; L99-F209 HydrophobicContact CD1-CZ 4.41Å; V205-F209 HydrophobicContact CG1-CE2 4.21Å; V205-F209 WeakPolarHBondContact O-CD2 3.07Å; R206-F209 PolarHBondContact O-N 3.47Å; F209-S213 WeakPolarHBondContact O-CB 3.42Å; F209-S213 PolarHBondContact O-N 3.48Å; F209-S213 PolarHBondContact O-OG 3.26Å
210E97.9Very high92.9Very high37 Ų3761.4 Ų61.417%0.17328%0.284CS..Hα-helixtrans-64.6-46.8169.6-66.8-176.2-175.100111.4I64 V66 R206 Q207 A212 S213 R214I64-E210 HydrophobicContact CD1-CB 4.47Å; I64-E210 HydrophobicContact CD1-CG 3.71Å; V66-E210 HydrophobicContact CG2-CB 4.33Å; V66-E210 HydrophobicContact CG2-CG 4.13Å; R206-E210 HydrophobicContact CG-CG 4.21Å; R206-E210 IonicContact NE-OE1 3.57Å; R206-E210 PolarHBondContact NE-OE1 3.26Å; R206-E210 WeakPolarHBondContact O-CG 3.38Å; R206-E210 PolarHBondContact O-N 3.39Å; Q207-E210 PolarHBondContact O-N 3.37Å; E210-A212 PolarHBondContact O-N 3.24Å; E210-S213 PolarHBondContact O-N 2.89Å; E210-R214 WeakPolarHBondContact O-CG 3.25Å; E210-R214 PolarHBondContact O-N 3.22Å; E210-R214 IonicContact OE2-CZ 3.82Å; E210-R214 IonicContact OE2-NH1 3.99Å; E210-R214 IonicContact OE2-NH2 3.03Å; E210-R214 PolarHBondContact OE2-NH2 3.4Å
211L98.2Very high90.8Very high36 Ų3660.3 Ų60.319%0.18828%0.279CS..Hα-helixtrans-60.1-45.5177.2178.560.1000111.5I151 Y192 I195 Q207 V208 R214 A215I151-L211 HydrophobicContact CD1-CD2 4.36Å; I151-L211 HydrophobicContact CD1-CG 3.94Å; I151-L211 HydrophobicContact CG1-CG 4.48Å; I151-L211 HydrophobicContact CG2-CD2 3.69Å; I151-L211 HydrophobicContact CG2-CG 4.23Å; Y192-L211 HydrophobicContact CD1-CD1 4.23Å; Y192-L211 HydrophobicContact CE1-CD1 3.97Å; I195-L211 HydrophobicContact CB-CD2 4.21Å; I195-L211 HydrophobicContact CG2-CD2 3.99Å; Q207-L211 WeakPolarHBondContact O-CB 3.46Å; Q207-L211 PolarHBondContact O-N 3.15Å; V208-L211 PolarHBondContact O-N 2.92Å; L211-R214 PolarHBondContact O-N 3.26Å; L211-A215 PolarHBondContact O-N 3.01Å
212A98Very high88.3Confident0 Ų066.1 Ų66.10%030%0.297CS..Hα-helixtrans-62.3-42.4175.700000112.2L26 V97 L99 I151 V208 E210 A215 C216L26-A212 HydrophobicContact CD1-CB 3.94Å; V97-A212 HydrophobicContact CG1-CB 4.15Å; V97-A212 HydrophobicContact CG2-CB 4.05Å; L99-A212 HydrophobicContact CD2-CB 3.93Å; I151-A212 HydrophobicContact CG1-CB 4.07Å; V208-A212 WeakPolarHBondContact O-CB 3.24Å; V208-A212 PolarHBondContact O-N 2.99Å; E210-A212 PolarHBondContact O-N 3.24Å; A212-A215 WeakPolarHBondContact O-CB 3.24Å; A212-A215 PolarHBondContact O-N 3.3Å; A212-C216 PolarHBondContact O-N 2.96Å; A212-C216 PolarHBondContact O-SG 3.05Å
213S96.8Very high85.6Confident0 Ų070.7 Ų70.70%032%0.32CS..Hα-helixtrans-64-43.3177.3-64.50000112.1F209 E210 A215 C216 L217F209-S213 WeakPolarHBondContact O-CB 3.42Å; F209-S213 PolarHBondContact O-N 3.48Å; F209-S213 PolarHBondContact O-OG 3.26Å; E210-S213 PolarHBondContact O-N 2.89Å; S213-A215 VanDerWaalsContact C-N 3.3Å; S213-A215 PolarHBondContact O-N 3.28Å; S213-C216 WeakPolarHBondContact O-CB 3.15Å; S213-C216 PolarHBondContact O-N 2.91Å; S213-L217 WeakPolarHBondContact O-CG 3.37Å; S213-L217 PolarHBondContact O-N 2.8Å; S213-L217 VanDerWaalsContact O-N 3.11Å
214R96.2Very high83.2Confident81 Ų8171.4 Ų71.431%0.30632%0.318SS..Hα-helixtrans-60.3-40.4173.6-68.6-175.5-166.2101.54.5111.3V66 D67 E210 L211 C216 L217 K218V66-R214 HydrophobicContact CG1-CG 3.49Å; V66-R214 VanDerWaalsContact CG1-CG 3.49Å; D67-R214 IonicContact OD1-NE 3.49Å; D67-R214 PolarHBondContact OD1-NE 3.25Å; D67-R214 IonicContact OD2-NE 3.87Å; E210-R214 WeakPolarHBondContact O-CG 3.25Å; E210-R214 PolarHBondContact O-N 3.22Å; E210-R214 IonicContact OE2-CZ 3.82Å; E210-R214 IonicContact OE2-NH1 3.99Å; E210-R214 IonicContact OE2-NH2 3.03Å; E210-R214 PolarHBondContact OE2-NH2 3.4Å; L211-R214 PolarHBondContact O-N 3.26Å; R214-C216 PolarHBondContact O-N 2.88Å; R214-L217 PolarHBondContact O-N 2.95Å; R214-K218 PolarHBondContact O-N 3.24Å
215A95.8Very high80Confident0 Ų077.4 Ų77.40%034%0.342CS..Hα-helixtrans-60.7-42.8175.300000112.1V97 P149 I151 Y192 L211 A212 S213 L217V97-A215 HydrophobicContact CG2-CB 4.46Å; P149-A215 HydrophobicContact CB-CB 4.06Å; P149-A215 HydrophobicContact CG-CB 4.19Å; I151-A215 HydrophobicContact CD1-CB 4.09Å; Y192-A215 HydrophobicContact CD1-CB 3.46Å; Y192-A215 VanDerWaalsContact CD1-CB 3.46Å; Y192-A215 HydrophobicContact CD2-CB 4.11Å; Y192-A215 HydrophobicContact CE1-CB 3.59Å; Y192-A215 HydrophobicContact CE2-CB 4.22Å; Y192-A215 HydrophobicContact CG-CB 3.74Å; L211-A215 PolarHBondContact O-N 3.01Å; A212-A215 WeakPolarHBondContact O-CB 3.24Å; A212-A215 PolarHBondContact O-N 3.3Å; S213-A215 VanDerWaalsContact C-N 3.3Å; S213-A215 PolarHBondContact O-N 3.28Å; A215-L217 VanDerWaalsContact C-N 3.3Å; A215-L217 PolarHBondContact O-N 3.16Å
216C90.5Very high76.9Confident3 Ų382.5 Ų82.52%0.0238%0.378CS..Hα-helixtrans-64.7-29.3176.2-73.30000114.5K24 V97 A212 S213 R214K24-C216 HydrophobicContact CB-CB 4.44Å; K24-C216 HydrophobicContact CD-CB 3.77Å; K24-C216 HydrophobicContact CG-CB 3.87Å; K24-C216 PolarHBondContact NZ-O 3.12Å; V97-C216 WeakPolarHBondContact CB-SG 3.36Å; V97-C216 WeakPolarHBondContact CG1-SG 3.34Å; A212-C216 PolarHBondContact O-N 2.96Å; A212-C216 PolarHBondContact O-SG 3.05Å; S213-C216 WeakPolarHBondContact O-CB 3.15Å; S213-C216 PolarHBondContact O-N 2.91Å; R214-C216 PolarHBondContact O-N 2.88Å
217L88.8Confident74Confident39 Ų3985.9 Ų85.920%0.20439%0.392CS..Hα-helixtrans-83-30.7-176.3-71.9178.4000113.1I22 K69 I71 S213 R214 A215 I219I22-L217 HydrophobicContact CD1-CD2 3.95Å; I22-L217 HydrophobicContact CG2-CD2 4.29Å; K69-L217 HydrophobicContact CD-CD1 3.92Å; K69-L217 HydrophobicContact CD-CD2 4.2Å; I71-L217 HydrophobicContact CD1-CD1 3.89Å; I71-L217 HydrophobicContact CD1-CD2 4.32Å; I71-L217 HydrophobicContact CD1-CG 4.15Å; S213-L217 WeakPolarHBondContact O-CG 3.37Å; S213-L217 PolarHBondContact O-N 2.8Å; S213-L217 VanDerWaalsContact O-N 3.11Å; R214-L217 PolarHBondContact O-N 2.95Å; A215-L217 VanDerWaalsContact C-N 3.3Å; A215-L217 PolarHBondContact O-N 3.16Å; L217-I219 VanDerWaalsContact C-N 3.33Å
218K81.5Confident70.8Confident155 Ų15591 Ų9167%0.67441%0.413SS*.Hα-helixtrans-72.1-26.7178.4-71.5-167.6-174.5171.20113.2Y192 R214 Q220Y192-K218 HydrophobicContact CE2-CD 4.22Å; Y192-K218 VanDerWaalsContact OH-CD 3.29Å; Y192-K218 WeakPolarHBondContact OH-CD 3.33Å; Y192-K218 VanDerWaalsContact OH-CE 3.24Å; Y192-K218 WeakPolarHBondContact OH-CE 3.48Å; Y192-K218 PolarHBondContact OH-NZ 3.34Å; Y192-K218 VanDerWaalsContact OH-NZ 3.12Å; R214-K218 PolarHBondContact O-N 3.24Å; K218-Q220 PolarHBondContact O-N 3.5Å
219I71.2Confident67.9Low75 Ų7598.7 Ų98.739%0.38545%0.453SS..  trans-90.296.1-178.8-58.6174.9000108.9P149 L217 K221P149-I219 HydrophobicContact CB-CD1 3.84Å; P149-I219 VanDerWaalsContact CD-CD1 3.5Å; P149-I219 HydrophobicContact CG-CD1 3.57Å; L217-I219 VanDerWaalsContact C-N 3.33Å; I219-K221 PolarHBondContact O-N 3.23Å
220Q55.8Low65Low179 Ų179111.9 Ų111.984%0.83651%0.511SS*.  trans-68.9118166.3-64.4-172.412.400108.4K218 K222K218-Q220 PolarHBondContact O-N 3.5Å; Q220-K222 PolarHBondContact O-N 3.46Å
221K53.4Low63.4Low115 Ų115115.6 Ų115.650%0.553%0.528SS..  trans-60.895.6176.9-77.4-178.7175.6165.50109.6D96 I219 H223D96-K221 WeakPolarHBondContact OD1-CE 3.45Å; D96-K221 IonicContact OD1-NZ 2.72Å; D96-K221 PolarHBondContact OD1-NZ 3.21Å; D96-K221 IonicContact OD2-NZ 3.7Å; I219-K221 PolarHBondContact O-N 3.23Å; K221-H223 PolarHBondContact O-N 3.22Å; K221-H223 VanDerWaalsContact O-N 3.15Å
222K43.7Very low61.5Low204 Ų204119.8 Ų119.889%0.88755%0.546SS*.  trans-60.1115.1156.5-82.3-174.9175179.60106.6Q220 R224Q220-K222 PolarHBondContact O-N 3.46Å; K222-R224 PolarHBondContact O-N 3.45Å
223H41.4Very low59.5Low187 Ų187126.4 Ų126.487%0.86658%0.576SS**  trans-2.9104.5177.2-84.7-88.9000115.8K221 K225K221-H223 PolarHBondContact O-N 3.22Å; K221-H223 VanDerWaalsContact O-N 3.15Å; H223-K225 PolarHBondContact O-N 2.64Å
224R47Very low57.3Low114 Ų114133.9 Ų133.943%0.4361%0.61SS.*  trans-66.7111.7164.1-94.2-176.3164.9139.20.5108.1D94 T95 K222 S226D94-R224 PolarHBondContact O-NH1 3.25Å; D94-R224 VanDerWaalsContact O-NH1 3.07Å; D94-R224 IonicContact OD1-CZ 3.85Å; D94-R224 IonicContact OD1-NE 2.69Å; D94-R224 IonicContact OD1-NH1 3.63Å; T95-R224 PolarHBondContact O-NH2 3.39Å; K222-R224 PolarHBondContact O-N 3.45Å; R224-S226 PolarHBondContact O-N 3.16Å
225K32.8Very low54.9Low178 Ų178137.2 Ų137.277%0.77463%0.629SS**  trans-61.8121.1163-75.7-175.5177.3179.70107.4H223 Y227H223-K225 PolarHBondContact O-N 2.64Å; K225-Y227 WeakPolarHBondContact O-CD2 3.41Å; K225-Y227 PolarHBondContact O-N 3.34Å; K225-Y227 VanDerWaalsContact O-N 3.08Å
226S32.6Very low52.2Low115 Ų115146.3 Ų146.380%0.80467%0.671SS**  trans-64.5106.3175.8-169.60000108.8R224 K228R224-S226 PolarHBondContact O-N 3.16Å; S226-K228 PolarHBondContact O-N 3.44Å
227Y37.2Very low49.4Very low201 Ų201156.6 Ų156.679%0.78872%0.717SS**  trans-79.4112.9163.5-72.2-86.5000107.3K225 L229K225-Y227 WeakPolarHBondContact O-CD2 3.41Å; K225-Y227 PolarHBondContact O-N 3.34Å; K225-Y227 VanDerWaalsContact O-N 3.08Å; Y227-L229 PolarHBondContact O-N 3.15Å
228K30.7Very low46.4Very low192 Ų192165.6 Ų165.684%0.83576%0.757SS**  trans-68.3116.7161.2-81.7-177.8175.6-179.60106.7S226S226-K228 PolarHBondContact O-N 3.44Å
229L37.7Very low43.5Very low161 Ų161166.5 Ų166.584%0.84376%0.764SS**  trans-81.6127.4162.5-82.2151000107.3Y227Y227-L229 PolarHBondContact O-N 3.15Å
230F38.4Very low41Very low277 Ų277174.8 Ų174.8100%1.21580%0.798SS**  trans-68.80165-71-88.2000110.2

Retrieved 230 of 230 residues in 281.3 ms (Link to these results)

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