A0A077ZDJ2_TRITR Loading...

NEFA-interacting nuclear protein NIP30

AlphaFold DB , UniProt , Accession A0A077ZDJ2, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 252 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
1M38.4Very low72.5Confident236 Ų236156.1 Ų156.1100%1.16376%0.759SS**  0132.50-70.9-177.718000106.7E3M1-E3 PolarHBondContact O-N 3.4Å
2S52.9Low73.7Confident97 Ų97151.7 Ų151.768%0.67874%0.735SS**  trans-48.2114.4-163.6-71.50000116.1F4S2-F4 VanDerWaalsContact C-N 3.29Å; S2-F4 PolarHBondContact O-N 2.88Å
3E68.6Low74.6Confident182 Ų182146.2 Ų146.285%0.8571%0.71SS**  trans-82.56172.8-78.5154161.700114.1M1M1-E3 PolarHBondContact O-N 3.4Å
4F61.5Low75.6Confident191 Ų191142.1 Ų142.184%0.83869%0.694SS**  trans-100.420.4-165.4-77-77.9000117S2S2-F4 VanDerWaalsContact C-N 3.29Å; S2-F4 PolarHBondContact O-N 2.88Å
5R68.2Low76.6Confident213 Ų213139.2 Ų139.280%0.80468%0.678SS**SBendtrans-127.64.2-172.7-62.4-167.2-152.8-160.86.3117.5
6N80.8Confident77.2Confident148 Ų148136.6 Ų136.679%0.79167%0.665SS**SBendtrans-104.4138.6177-63.2-32000110.4V8N6-V8 PolarHBondContact O-N 3.47Å
7F82.8Confident77.9Confident201 Ų201133.6 Ų133.688%0.88265%0.647SS**PPolyproline II helixtrans-65.5132.2166.5-64.6-77.7000108.2S9F7-S9 PolarHBondContact O-N 3.45Å
8V79.8Confident78.5Confident98 Ų98133.6 Ų133.659%0.59464%0.644SS**PPolyproline II helixtrans-66.2122.4173.5-173.10000107.9N6 E12 I13N6-V8 PolarHBondContact O-N 3.47Å; V8-E12 WeakPolarHBondContact CA-OE2 2.86Å; V8-E12 HydrophobicContact CG1-CB 3.91Å; V8-I13 HydrophobicContact CG1-CD1 4.29Å; V8-I13 HydrophobicContact CG1-CG1 3.6Å
9S86.3Confident79.1Confident62 Ų62134.3 Ų134.343%0.43464%0.639SS.*PPolyproline II helixtrans-75150.5175.9-177.20000110.5F7 F11 E12 I13F7-S9 PolarHBondContact O-N 3.45Å; S9-F11 PolarHBondContact O-N 2.77Å; S9-F11 VanDerWaalsContact O-N 3.16Å; S9-E12 PolarHBondContact N-OE2 2.9Å; S9-E12 WeakPolarHBondContact O-CB 3.22Å; S9-E12 PolarHBondContact O-N 2.89Å; S9-I13 PolarHBondContact O-N 3.42Å; S9-I13 VanDerWaalsContact O-N 3.15Å
10E89.5Confident79.5Confident152 Ų152130.4 Ų130.471%0.7162%0.618SS**Hα-helixtrans-49.7-40.5171.4-178.1179.2-171.300111.5E12 I13 D14E10-E12 VanDerWaalsContact C-N 3.32Å; E10-E12 PolarHBondContact O-N 2.84Å; E10-I13 WeakPolarHBondContact O-CB 3.32Å; E10-I13 PolarHBondContact O-N 3.35Å; E10-D14 PolarHBondContact O-N 2.95Å
11F89.4Confident79.9Confident137 Ų137126 Ų12660%0.60160%0.596SS**Hα-helixtrans-61.7-35.8177-178.9-112.1000113.6S9 Q15S9-F11 PolarHBondContact O-N 2.77Å; S9-F11 VanDerWaalsContact O-N 3.16Å; F11-Q15 HydrophobicContact CZ-CG 4.44Å; F11-Q15 WeakPolarHBondContact O-CG 3.44Å; F11-Q15 PolarHBondContact O-N 2.95Å; F11-Q15 VanDerWaalsContact O-N 3.09Å
12E86.9Confident82.4Confident103 Ų103118.8 Ų118.848%0.48156%0.56SS.*Hα-helixtrans-72.3-38177.2-68.5173.8172.300111.1V8 S9 E10 D14 Q15 E16V8-E12 WeakPolarHBondContact CA-OE2 2.86Å; V8-E12 HydrophobicContact CG1-CB 3.91Å; S9-E12 PolarHBondContact N-OE2 2.9Å; S9-E12 WeakPolarHBondContact O-CB 3.22Å; S9-E12 PolarHBondContact O-N 2.89Å; E10-E12 VanDerWaalsContact C-N 3.32Å; E10-E12 PolarHBondContact O-N 2.84Å; E12-D14 VanDerWaalsContact C-N 3.34Å; E12-D14 PolarHBondContact O-N 3.47Å; E12-Q15 PolarHBondContact O-N 3.21Å; E12-E16 WeakPolarHBondContact O-CB 3.29Å; E12-E16 PolarHBondContact O-N 3.43Å
13I85.5Confident84.1Confident80 Ų80119 Ų11941%0.4155%0.55SS.*Hα-helixtrans-61.2-45.4175-60.4174.8000110.1V8 S9 E10 E16 K17V8-I13 HydrophobicContact CG1-CD1 4.29Å; V8-I13 HydrophobicContact CG1-CG1 3.6Å; S9-I13 PolarHBondContact O-N 3.42Å; S9-I13 VanDerWaalsContact O-N 3.15Å; E10-I13 WeakPolarHBondContact O-CB 3.32Å; E10-I13 PolarHBondContact O-N 3.35Å; I13-E16 PolarHBondContact O-N 3.45Å; I13-K17 HydrophobicContact CG2-CD 4.46Å; I13-K17 WeakPolarHBondContact O-CG 3.29Å; I13-K17 PolarHBondContact O-N 2.88Å
14D88.4Confident85.1Confident89 Ų89112.8 Ų112.848%0.47652%0.519SS..Hα-helixtrans-66.6-41.6-179.9-76.1-15.2000112.7E10 E12 E16 K17 K18E10-D14 PolarHBondContact O-N 2.95Å; E12-D14 VanDerWaalsContact C-N 3.34Å; E12-D14 PolarHBondContact O-N 3.47Å; D14-E16 VanDerWaalsContact C-N 3.31Å; D14-E16 PolarHBondContact O-N 3.47Å; D14-K17 PolarHBondContact O-N 3.31Å; D14-K18 WeakPolarHBondContact O-CB 3.44Å; D14-K18 PolarHBondContact O-N 2.97Å
15Q89.8Confident86.3Confident99 Ų99109 Ų10946%0.46350%0.504SS..Hα-helixtrans-60.5-43.5174.1-79.7-16340.900111.8F11 E12 K18 R19F11-Q15 HydrophobicContact CZ-CG 4.44Å; F11-Q15 WeakPolarHBondContact O-CG 3.44Å; F11-Q15 PolarHBondContact O-N 2.95Å; F11-Q15 VanDerWaalsContact O-N 3.09Å; E12-Q15 PolarHBondContact O-N 3.21Å; Q15-K18 PolarHBondContact O-N 3.43Å; Q15-R19 WeakPolarHBondContact O-CG 3.42Å; Q15-R19 PolarHBondContact O-N 2.96Å
16E87.1Confident87.3Confident98 Ų98107.4 Ų107.446%0.45850%0.498SS..Hα-helixtrans-66.7-40.1179.2-179.654.7-150.100111.5E12 I13 D14 K18 R19 R20E12-E16 WeakPolarHBondContact O-CB 3.29Å; E12-E16 PolarHBondContact O-N 3.43Å; I13-E16 PolarHBondContact O-N 3.45Å; D14-E16 VanDerWaalsContact C-N 3.31Å; D14-E16 PolarHBondContact O-N 3.47Å; E16-K18 VanDerWaalsContact C-N 3.34Å; E16-K18 PolarHBondContact O-N 2.98Å; E16-R19 PolarHBondContact O-N 2.89Å; E16-R20 WeakPolarHBondContact O-CB 3.46Å; E16-R20 PolarHBondContact O-N 3.03Å; E16-R20 IonicContact OE1-CZ 2.96Å; E16-R20 IonicContact OE1-NH2 3.66Å; E16-R20 PolarHBondContact OE1-NH2 2.95Å
17K88.2Confident87.5Confident86 Ų86105.5 Ų105.537%0.37449%0.492SS..Hα-helixtrans-60.4-42.1170.4-73.3-172.1-175.7-152.10111.9I13 D14 R20 Q21 E38I13-K17 HydrophobicContact CG2-CD 4.46Å; I13-K17 WeakPolarHBondContact O-CG 3.29Å; I13-K17 PolarHBondContact O-N 2.88Å; D14-K17 PolarHBondContact O-N 3.31Å; K17-R20 PolarHBondContact O-N 3.25Å; K17-Q21 WeakPolarHBondContact O-CB 3.49Å; K17-Q21 PolarHBondContact O-N 3.25Å; K17-E38 IonicContact NZ-OE1 2.75Å; K17-E38 PolarHBondContact NZ-OE1 3.5Å
18K89.4Confident87.7Confident133 Ų13399.6 Ų99.658%0.57846%0.463SS*.Hα-helixtrans-66.2-46.1178.5-168-174-177.1-1620112D14 Q15 E16 R20 Q21 E22D14-K18 WeakPolarHBondContact O-CB 3.44Å; D14-K18 PolarHBondContact O-N 2.97Å; Q15-K18 PolarHBondContact O-N 3.43Å; E16-K18 VanDerWaalsContact C-N 3.34Å; E16-K18 PolarHBondContact O-N 2.98Å; K18-R20 VanDerWaalsContact C-N 3.31Å; K18-R20 PolarHBondContact O-N 2.98Å; K18-Q21 WeakPolarHBondContact O-CB 3.29Å; K18-Q21 PolarHBondContact O-N 3.26Å; K18-Q21 VanDerWaalsContact O-N 3.12Å; K18-E22 WeakPolarHBondContact CE-OE1 3.3Å; K18-E22 HydrophobicContact CG-CG 4.47Å; K18-E22 WeakPolarHBondContact CG-OE1 3.49Å; K18-E22 IonicContact NZ-OE1 3.94Å; K18-E22 WeakPolarHBondContact O-CG 3.23Å; K18-E22 PolarHBondContact O-N 3.15Å
19R89.4Confident87.9Confident146 Ų146101.6 Ų101.655%0.55146%0.46SS*.Hα-helixtrans-57.5-45.8175.2-75.4-168.667.4149.51.7111.4Q15 E16 Q21 E22 E23Q15-R19 WeakPolarHBondContact O-CG 3.42Å; Q15-R19 PolarHBondContact O-N 2.96Å; E16-R19 PolarHBondContact O-N 2.89Å; R19-Q21 VanDerWaalsContact C-N 3.31Å; R19-Q21 PolarHBondContact O-N 3.47Å; R19-E22 PolarHBondContact O-N 2.98Å; R19-E23 WeakPolarHBondContact O-CB 3.34Å; R19-E23 WeakPolarHBondContact O-CG 3.22Å; R19-E23 PolarHBondContact O-N 3.37Å
20R87.7Confident87.6Confident57 Ų57105 Ų10522%0.21548%0.48CS..Hα-helixtrans-59.8-41.6175.3-169.8-177.3-60.697.814.4112E16 K17 K18 W24 A36 P37E16-R20 WeakPolarHBondContact O-CB 3.46Å; E16-R20 PolarHBondContact O-N 3.03Å; E16-R20 IonicContact OE1-CZ 2.96Å; E16-R20 IonicContact OE1-NH2 3.66Å; E16-R20 PolarHBondContact OE1-NH2 2.95Å; K17-R20 PolarHBondContact O-N 3.25Å; K18-R20 VanDerWaalsContact C-N 3.31Å; K18-R20 PolarHBondContact O-N 2.98Å; R20-W24 WeakPolarHBondContact O-CB 3.32Å; R20-W24 PolarHBondContact O-N 3.37Å; R20-A36 HydrophobicContact CB-CB 4.49Å; R20-A36 HydrophobicContact CG-CB 3.76Å; R20-P37 WeakPolarHBondContact CD-O 3.49Å
21Q88.4Confident87.4Confident37 Ų37103.2 Ų103.217%0.17348%0.476CS..Hα-helixtrans-66.2-43.6176.9-1766224.200112.3K17 K18 R19 W24 E25 R34K17-Q21 WeakPolarHBondContact O-CB 3.49Å; K17-Q21 PolarHBondContact O-N 3.25Å; K18-Q21 WeakPolarHBondContact O-CB 3.29Å; K18-Q21 PolarHBondContact O-N 3.26Å; K18-Q21 VanDerWaalsContact O-N 3.12Å; R19-Q21 VanDerWaalsContact C-N 3.31Å; R19-Q21 PolarHBondContact O-N 3.47Å; Q21-W24 WeakPolarHBondContact O-CB 3.25Å; Q21-W24 PolarHBondContact O-N 2.99Å; Q21-E25 PolarHBondContact NE2-OE1 3.44Å; Q21-E25 WeakPolarHBondContact O-CB 3.5Å; Q21-E25 WeakPolarHBondContact O-CG 3.49Å; Q21-E25 PolarHBondContact O-N 3.33Å; Q21-R34 PolarHBondContact NE2-O 3.01Å
22E89.5Confident87Confident86 Ų8698.6 Ų98.640%0.40246%0.456SS..Hα-helixtrans-64.3-40.2177-70.5171.5-17100111.7K18 R19 R26K18-E22 WeakPolarHBondContact CE-OE1 3.3Å; K18-E22 HydrophobicContact CG-CG 4.47Å; K18-E22 WeakPolarHBondContact CG-OE1 3.49Å; K18-E22 IonicContact NZ-OE1 3.94Å; K18-E22 WeakPolarHBondContact O-CG 3.23Å; K18-E22 PolarHBondContact O-N 3.15Å; R19-E22 PolarHBondContact O-N 2.98Å; E22-R26 PolarHBondContact O-N 2.94Å
23E88.8Confident86.8Confident100 Ų10098 Ų9847%0.46746%0.462SS..Hα-helixtrans-66.3-40.4172.8-72.8172.8-164.200112.1R19 R26 V27R19-E23 WeakPolarHBondContact O-CB 3.34Å; R19-E23 WeakPolarHBondContact O-CG 3.22Å; R19-E23 PolarHBondContact O-N 3.37Å; E23-R26 WeakPolarHBondContact O-CB 2.97Å; E23-R26 PolarHBondContact O-N 2.92Å; E23-V27 PolarHBondContact O-N 3.43Å
24W90.3Very high86.5Confident52 Ų52103.9 Ų103.920%0.19748%0.478CS..Hα-helixtrans-63-50.5174.6-174.6-125.2000111R20 Q21 R26 V27 R28 Q32 P33 A36 P37R20-W24 WeakPolarHBondContact O-CB 3.32Å; R20-W24 PolarHBondContact O-N 3.37Å; Q21-W24 WeakPolarHBondContact O-CB 3.25Å; Q21-W24 PolarHBondContact O-N 2.99Å; W24-R26 PolarHBondContact O-N 3.15Å; W24-R26 VanDerWaalsContact O-N 3.14Å; W24-V27 CarbonylContact O-C 3.55Å; W24-V27 PolarHBondContact O-N 2.93Å; W24-R28 VanDerWaalsContact O-CA 3.29Å; W24-R28 WeakPolarHBondContact O-CA 3.38Å; W24-R28 WeakPolarHBondContact O-CB 3.45Å; W24-R28 PolarHBondContact O-N 3.31Å; W24-Q32 HydrophobicContact CH2-CB 4.31Å; W24-Q32 HydrophobicContact CH2-CG 4.47Å; W24-Q32 HydrophobicContact CZ2-CB 3.76Å; W24-Q32 HydrophobicContact CZ2-CG 4.39Å; W24-P33 PolarHBondContact NE1-O 2.88Å; W24-A36 HydrophobicContact CB-CB 3.52Å; W24-A36 VanDerWaalsContact CD1-CA 3.48Å; W24-A36 HydrophobicContact CD2-CB 4.49Å; W24-A36 HydrophobicContact CG-CB 3.71Å; W24-P37 HydrophobicContact CZ2-CG 4.44Å
25E87Confident86.2Confident112 Ų112106 Ų10652%0.52349%0.486SS..Hα-helixtrans-58.6-29.5178.6-75.4177.2-174.100113Q21Q21-E25 PolarHBondContact NE2-OE1 3.44Å; Q21-E25 WeakPolarHBondContact O-CB 3.5Å; Q21-E25 WeakPolarHBondContact O-CG 3.49Å; Q21-E25 PolarHBondContact O-N 3.33Å
26R87.8Confident85.9Confident180 Ų180101.8 Ų101.868%0.67947%0.467SS*.Hα-helixtrans-70.2-38.2174.3-170.8-179.5-62.499.95.1113.3E22 E23 W24E22-R26 PolarHBondContact O-N 2.94Å; E23-R26 WeakPolarHBondContact O-CB 2.97Å; E23-R26 PolarHBondContact O-N 2.92Å; W24-R26 PolarHBondContact O-N 3.15Å; W24-R26 VanDerWaalsContact O-N 3.14Å
27V86.4Confident85.7Confident108 Ų108101 Ų10166%0.65547%0.471SS*.Hα-helixtrans-101.7-12.7-175.3-177.10000112.6E23 W24 R29E23-V27 PolarHBondContact O-N 3.43Å; W24-V27 CarbonylContact O-C 3.55Å; W24-V27 PolarHBondContact O-N 2.93Å; V27-R29 PolarHBondContact O-N 3.5Å
28R85.5Confident85.4Confident77 Ų77102.5 Ų102.529%0.29148%0.479SS..  trans-61.1129.9-175166.1-168.4178.469.98110.7W24 Q32 P33 R34W24-R28 VanDerWaalsContact O-CA 3.29Å; W24-R28 WeakPolarHBondContact O-CA 3.38Å; W24-R28 WeakPolarHBondContact O-CB 3.45Å; W24-R28 PolarHBondContact O-N 3.31Å; R28-Q32 PolarHBondContact NH1-O 2.94Å; R28-Q32 PolarHBondContact NH2-O 3.38Å; R28-P33 PolarHBondContact NH1-O 3.39Å; R28-R34 VanDerWaalsContact NH1-N 3.19Å
29R83.8Confident85Confident140 Ų14099.9 Ų99.953%0.52848%0.476SS..  trans-90.6157.7166.7-63.7-169.9-52.7-99.72111V27 D31 Q32V27-R29 PolarHBondContact O-N 3.5Å; R29-D31 WeakPolarHBondContact CB-OD1 3.46Å; R29-D31 IonicContact NE-OD1 2.79Å; R29-D31 PolarHBondContact NE-OD1 3.15Å; R29-D31 IonicContact NE-OD2 3.54Å; R29-D31 IonicContact NH2-OD2 3.14Å; R29-D31 PolarHBondContact O-N 3.47Å; R29-D31 VanDerWaalsContact O-N 3.1Å; R29-Q32 HydrophobicContact CB-CG 4.39Å; R29-Q32 PolarHBondContact O-N 2.87Å; R29-Q32 VanDerWaalsContact O-N 3.14Å
30P81.9Confident84.7Confident132 Ų132102.3 Ų102.386%0.85749%0.494SS*.THydrogen-bonded Turntrans-62.4-18.7-175.723.7-34.6000114.6
31D83.9Confident84.5Confident115 Ų115105.1 Ų105.162%0.61552%0.517SS*.THydrogen-bonded Turntrans-83.4-12.317961.2-37.7000114.2R29R29-D31 WeakPolarHBondContact CB-OD1 3.46Å; R29-D31 IonicContact NE-OD1 2.79Å; R29-D31 PolarHBondContact NE-OD1 3.15Å; R29-D31 IonicContact NE-OD2 3.54Å; R29-D31 IonicContact NH2-OD2 3.14Å; R29-D31 PolarHBondContact O-N 3.47Å; R29-D31 VanDerWaalsContact O-N 3.1Å
32Q82.2Confident84.5Confident40 Ų40105.8 Ų105.819%0.18752%0.521CS..SBendtrans-92.5159.4-171-66.7179.5-42.900113.1W24 R28 R29W24-Q32 HydrophobicContact CH2-CB 4.31Å; W24-Q32 HydrophobicContact CH2-CG 4.47Å; W24-Q32 HydrophobicContact CZ2-CB 3.76Å; W24-Q32 HydrophobicContact CZ2-CG 4.39Å; R28-Q32 PolarHBondContact NH1-O 2.94Å; R28-Q32 PolarHBondContact NH2-O 3.38Å; R29-Q32 HydrophobicContact CB-CG 4.39Å; R29-Q32 PolarHBondContact O-N 2.87Å; R29-Q32 VanDerWaalsContact O-N 3.14Å
33P82.9Confident84.6Confident92 Ų92108.1 Ų108.160%0.59754%0.542SS*.  trans-66.1134.8-178.3-22.434000113.6W24 R28 E35W24-P33 PolarHBondContact NE1-O 2.88Å; R28-P33 PolarHBondContact NH1-O 3.39Å; P33-E35 PolarHBondContact O-N 2.94Å
34R79.1Confident84.7Confident202 Ų202108 Ų10876%0.76254%0.537SS*.SBendtrans-52.7-41.8-172.1-174.5175.1176.1174-2112.6Q21 R28Q21-R34 PolarHBondContact NE2-O 3.01Å; R28-R34 VanDerWaalsContact NH1-N 3.19Å
35E80.4Confident84.9Confident135 Ų135109.7 Ų109.763%0.63156%0.555SS**SBendtrans-84.3136.1178.3-168.9166.7-16500110.5P33P33-E35 PolarHBondContact O-N 2.94Å
36A84.3Confident85.1Confident9 Ų9109.8 Ų109.87%0.07456%0.558CS.*PPolyproline II helixtrans-63.1132.1175.500000109.4R20 W24 E38R20-A36 HydrophobicContact CB-CB 4.49Å; R20-A36 HydrophobicContact CG-CB 3.76Å; W24-A36 HydrophobicContact CB-CB 3.52Å; W24-A36 VanDerWaalsContact CD1-CA 3.48Å; W24-A36 HydrophobicContact CD2-CB 4.49Å; W24-A36 HydrophobicContact CG-CB 3.71Å; A36-E38 PolarHBondContact O-N 3.42Å
37P82.7Confident85.5Confident81 Ų81108.7 Ų108.753%0.52656%0.555SS.*PPolyproline II helixtrans-52.9128.6178.2-26.934.6000111.5R20 W24R20-P37 WeakPolarHBondContact CD-O 3.49Å; W24-P37 HydrophobicContact CZ2-CG 4.44Å
38E82.4Confident85.9Confident118 Ų118105.8 Ų105.855%0.55154%0.538SS*.PPolyproline II helixtrans-65.2142.5174.2-66.9-163.614800109.8K17 A36 E40K17-E38 IonicContact NZ-OE1 2.75Å; K17-E38 PolarHBondContact NZ-OE1 3.5Å; A36-E38 PolarHBondContact O-N 3.42Å; E38-E40 PolarHBondContact O-N 2.86Å
39P81.8Confident86.3Confident79 Ų79106 Ų10651%0.51354%0.539SS..PPolyproline II helixtrans-60.3135179.125.8-33.4000109.7V41P39-V41 PolarHBondContact O-N 3.44Å
40E81.7Confident86.9Confident197 Ų197103.5 Ų103.592%0.92154%0.535SS*.  trans-58.4109.3179.2-68.1-178.5-173.600109.9E38 D42E38-E40 PolarHBondContact O-N 2.86Å; E40-D42 PolarHBondContact O-N 3.47Å
41V84.3Confident87.5Confident116 Ų116102.9 Ų102.970%0.70352%0.516SS*.  trans-72.5120.6172.2-178.70000106.9P39 T43P39-V41 PolarHBondContact O-N 3.44Å; V41-T43 PolarHBondContact O-N 3.01Å
42D87.3Confident88Confident50 Ų50100.9 Ų100.927%0.26750%0.503SS..  trans-53.3122.1173.4-174.3-13.9000108E40 R44 R49E40-D42 PolarHBondContact O-N 3.47Å; D42-R44 WeakPolarHBondContact OD1-CB 3.24Å; D42-R44 WeakPolarHBondContact OD1-CG 3.28Å; D42-R44 IonicContact OD1-CZ 3.83Å; D42-R44 PolarHBondContact OD1-N 2.87Å; D42-R44 IonicContact OD1-NE 2.63Å; D42-R44 PolarHBondContact OD1-NE 3.33Å; D42-R44 IonicContact OD2-CZ 3.25Å; D42-R44 IonicContact OD2-NE 2.77Å; D42-R44 PolarHBondContact OD2-NE 3.41Å; D42-R44 IonicContact OD2-NH2 2.7Å; D42-R44 PolarHBondContact OD2-NH2 2.87Å; D42-R49 VanDerWaalsContact CG-NE 3.27Å; D42-R49 PolarHBondContact O-NH2 3.37Å; D42-R49 IonicContact OD1-NE 4Å; D42-R49 WeakPolarHBondContact OD2-CD 3.32Å; D42-R49 VanDerWaalsContact OD2-CG 3.28Å; D42-R49 WeakPolarHBondContact OD2-CG 3.35Å; D42-R49 IonicContact OD2-NE 2.81Å; D42-R49 PolarHBondContact OD2-NE 3.11Å
43T91.8Very high88.6Confident135 Ų135105.3 Ų105.383%0.82852%0.523SS*.  trans-92.4-5.4-178.254.50000112V41V41-T43 PolarHBondContact O-N 3.01Å
44R91.8Very high89.2Confident97 Ų97109.4 Ų109.437%0.36653%0.527SS..SBendtrans-68.2146.1-179.7-60.1175.1-62.6168.612.6110.1D42 V48 R49 E52D42-R44 WeakPolarHBondContact OD1-CB 3.24Å; D42-R44 WeakPolarHBondContact OD1-CG 3.28Å; D42-R44 IonicContact OD1-CZ 3.83Å; D42-R44 PolarHBondContact OD1-N 2.87Å; D42-R44 IonicContact OD1-NE 2.63Å; D42-R44 PolarHBondContact OD1-NE 3.33Å; D42-R44 IonicContact OD2-CZ 3.25Å; D42-R44 IonicContact OD2-NE 2.77Å; D42-R44 PolarHBondContact OD2-NE 3.41Å; D42-R44 IonicContact OD2-NH2 2.7Å; D42-R44 PolarHBondContact OD2-NH2 2.87Å; R44-V48 HydrophobicContact CB-CB 4.32Å; R44-V48 HydrophobicContact CB-CG1 4.44Å; R44-R49 HydrophobicContact CB-CG 4.5Å; R44-R49 VanDerWaalsContact O-CZ 3.3Å; R44-R49 PolarHBondContact O-NE 3.33Å; R44-R49 PolarHBondContact O-NH2 3.41Å; R44-E52 IonicContact CZ-OE1 2.85Å; R44-E52 IonicContact CZ-OE2 3.21Å; R44-E52 IonicContact NH1-OE1 3.07Å; R44-E52 PolarHBondContact NH1-OE1 2.87Å; R44-E52 IonicContact NH1-OE2 3.62Å; R44-E52 PolarHBondContact NH1-OE2 3.05Å; R44-E52 IonicContact NH2-OE1 3.95Å; R44-E52 IonicContact NH2-OE2 3.33Å; R44-E52 PolarHBondContact NH2-OE2 3.41Å
45P93.9Very high90.1Very high88 Ų88104 Ų10457%0.57151%0.511SS*.  trans-54143.5174.3-24.433.4000111.3Y47 V48 R49P45-Y47 PolarHBondContact O-N 3.24Å; P45-V48 HydrophobicContact CB-CG2 4.41Å; P45-V48 HydrophobicContact CG-CG2 4.44Å; P45-V48 WeakPolarHBondContact O-CB 3.29Å; P45-V48 PolarHBondContact O-N 3.3Å; P45-R49 PolarHBondContact O-N 3.32Å
46L92.2Very high90.8Very high115 Ų115104 Ų10460%0.60251%0.508SS*.Hα-helixtrans-51.4-36.6-179.3-17962.7000112.5V48 R49 L50L46-V48 VanDerWaalsContact C-N 3.32Å; L46-V48 PolarHBondContact O-N 2.97Å; L46-R49 PolarHBondContact O-N 2.87Å; L46-L50 HydrophobicContact CD1-CD1 4.3Å; L46-L50 HydrophobicContact CD1-CG 4.13Å; L46-L50 HydrophobicContact CD2-CD1 4.39Å; L46-L50 HydrophobicContact CG-CD1 3.92Å; L46-L50 HydrophobicContact CG-CG 4.19Å; L46-L50 WeakPolarHBondContact O-CG 3.45Å; L46-L50 PolarHBondContact O-N 2.95Å
47Y95.3Very high91.3Very high156 Ų156106.3 Ų106.361%0.61253%0.527SS*.Hα-helixtrans-54.3-44.4175.1170.5-106.4000113P45 R51P45-Y47 PolarHBondContact O-N 3.24Å; Y47-R51 WeakPolarHBondContact O-CB 3.44Å; Y47-R51 PolarHBondContact O-N 3.43Å
48V95.2Very high91.9Very high48 Ų48107.1 Ų107.129%0.29152%0.524SS..Hα-helixtrans-65.4-44.2-179179.20000110R44 P45 L46 R51 E52R44-V48 HydrophobicContact CB-CB 4.32Å; R44-V48 HydrophobicContact CB-CG1 4.44Å; P45-V48 HydrophobicContact CB-CG2 4.41Å; P45-V48 HydrophobicContact CG-CG2 4.44Å; P45-V48 WeakPolarHBondContact O-CB 3.29Å; P45-V48 PolarHBondContact O-N 3.3Å; L46-V48 VanDerWaalsContact C-N 3.32Å; L46-V48 PolarHBondContact O-N 2.97Å; V48-R51 PolarHBondContact O-N 3.41Å; V48-E52 WeakPolarHBondContact O-CG 3.47Å; V48-E52 PolarHBondContact O-N 3.48Å
49R93.9Very high92.4Very high81 Ų81106 Ų10631%0.30652%0.521SS..Hα-helixtrans-63.6-45.8178.9-53.1-174.4-150.71709.7112.4D42 R44 P45 L46 R51 E52 Q53D42-R49 VanDerWaalsContact CG-NE 3.27Å; D42-R49 PolarHBondContact O-NH2 3.37Å; D42-R49 IonicContact OD1-NE 4Å; D42-R49 WeakPolarHBondContact OD2-CD 3.32Å; D42-R49 VanDerWaalsContact OD2-CG 3.28Å; D42-R49 WeakPolarHBondContact OD2-CG 3.35Å; D42-R49 IonicContact OD2-NE 2.81Å; D42-R49 PolarHBondContact OD2-NE 3.11Å; R44-R49 HydrophobicContact CB-CG 4.5Å; R44-R49 VanDerWaalsContact O-CZ 3.3Å; R44-R49 PolarHBondContact O-NE 3.33Å; R44-R49 PolarHBondContact O-NH2 3.41Å; P45-R49 PolarHBondContact O-N 3.32Å; L46-R49 PolarHBondContact O-N 2.87Å; R49-R51 VanDerWaalsContact C-N 3.31Å; R49-R51 PolarHBondContact O-N 3.34Å; R49-E52 PolarHBondContact O-N 2.9Å; R49-Q53 WeakPolarHBondContact O-CG 3.34Å; R49-Q53 PolarHBondContact O-N 3.27Å
50L95Very high92.9Very high87 Ų87107.3 Ų107.346%0.45552%0.52SS..Hα-helixtrans-65.6-37.7177.9-70.4178.2000111.6L46 Q53 R54L46-L50 HydrophobicContact CD1-CD1 4.3Å; L46-L50 HydrophobicContact CD1-CG 4.13Å; L46-L50 HydrophobicContact CD2-CD1 4.39Å; L46-L50 HydrophobicContact CG-CD1 3.92Å; L46-L50 HydrophobicContact CG-CG 4.19Å; L46-L50 WeakPolarHBondContact O-CG 3.45Å; L46-L50 PolarHBondContact O-N 2.95Å; L50-Q53 PolarHBondContact O-N 3.04Å; L50-R54 PolarHBondContact O-N 2.83Å
51R96.1Very high93.4Very high119 Ų119103.3 Ų103.345%0.44950%0.5SS..Hα-helixtrans-63.3-45.9175.1179.9178.9172.6-170.6-5.8111Y47 V48 R49 Q53 R54 E55Y47-R51 WeakPolarHBondContact O-CB 3.44Å; Y47-R51 PolarHBondContact O-N 3.43Å; V48-R51 PolarHBondContact O-N 3.41Å; R49-R51 VanDerWaalsContact C-N 3.31Å; R49-R51 PolarHBondContact O-N 3.34Å; R51-Q53 VanDerWaalsContact C-N 3.34Å; R51-Q53 PolarHBondContact O-N 3.4Å; R51-R54 WeakPolarHBondContact O-CB 3.25Å; R51-R54 PolarHBondContact O-N 3.47Å; R51-R54 VanDerWaalsContact O-N 3.15Å; R51-E55 HydrophobicContact CG-CG 4.28Å; R51-E55 IonicContact CZ-OE1 3.94Å; R51-E55 IonicContact NE-OE1 3.3Å; R51-E55 PolarHBondContact NE-OE1 3.22Å; R51-E55 IonicContact NH2-OE1 3.49Å; R51-E55 PolarHBondContact NH2-OE1 2.93Å; R51-E55 WeakPolarHBondContact O-CB 3.46Å; R51-E55 WeakPolarHBondContact O-CG 3.32Å; R51-E55 PolarHBondContact O-N 3.17Å
52E94.2Very high93.7Very high74 Ų74101.8 Ų101.835%0.34649%0.488SS..Hα-helixtrans-61.4-41176-75.2171.9-174.400112.4R44 V48 R49 R54 E55 K56R44-E52 IonicContact CZ-OE1 2.85Å; R44-E52 IonicContact CZ-OE2 3.21Å; R44-E52 IonicContact NH1-OE1 3.07Å; R44-E52 PolarHBondContact NH1-OE1 2.87Å; R44-E52 IonicContact NH1-OE2 3.62Å; R44-E52 PolarHBondContact NH1-OE2 3.05Å; R44-E52 IonicContact NH2-OE1 3.95Å; R44-E52 IonicContact NH2-OE2 3.33Å; R44-E52 PolarHBondContact NH2-OE2 3.41Å; V48-E52 WeakPolarHBondContact O-CG 3.47Å; V48-E52 PolarHBondContact O-N 3.48Å; R49-E52 PolarHBondContact O-N 2.9Å; E52-R54 VanDerWaalsContact C-N 3.32Å; E52-R54 PolarHBondContact O-N 2.96Å; E52-E55 PolarHBondContact O-N 3.07Å; E52-K56 WeakPolarHBondContact O-CB 3.33Å; E52-K56 PolarHBondContact O-N 3.07Å
53Q94.1Very high93.7Very high132 Ų132105.3 Ų105.362%0.61750%0.503SS*.Hα-helixtrans-60.7-42173.7-74.3-179.9-8.900111.8R49 L50 R51 A57R49-Q53 WeakPolarHBondContact O-CG 3.34Å; R49-Q53 PolarHBondContact O-N 3.27Å; L50-Q53 PolarHBondContact O-N 3.04Å; R51-Q53 VanDerWaalsContact C-N 3.34Å; R51-Q53 PolarHBondContact O-N 3.4Å; Q53-A57 WeakPolarHBondContact O-CB 3.45Å; Q53-A57 PolarHBondContact O-N 3.1Å
54R96.2Very high93.5Very high179 Ų179101.4 Ų101.468%0.67549%0.485SS*.Hα-helixtrans-65.3-47.2175.5-176.1-172.8-63.5155.60.2111.7L50 R51 E52 K56 A57 Q58L50-R54 PolarHBondContact O-N 2.83Å; R51-R54 WeakPolarHBondContact O-CB 3.25Å; R51-R54 PolarHBondContact O-N 3.47Å; R51-R54 VanDerWaalsContact O-N 3.15Å; E52-R54 VanDerWaalsContact C-N 3.32Å; E52-R54 PolarHBondContact O-N 2.96Å; R54-K56 VanDerWaalsContact C-N 3.33Å; R54-A57 PolarHBondContact O-N 2.91Å; R54-Q58 WeakPolarHBondContact O-CB 3.34Å; R54-Q58 PolarHBondContact O-N 3.2Å
55E96.7Very high93.1Very high89 Ų8999.4 Ų99.442%0.41648%0.48SS..Hα-helixtrans-63.2-40.4179.6-74.5176.1171.600111R51 E52 Q58 L59R51-E55 HydrophobicContact CG-CG 4.28Å; R51-E55 IonicContact CZ-OE1 3.94Å; R51-E55 IonicContact NE-OE1 3.3Å; R51-E55 PolarHBondContact NE-OE1 3.22Å; R51-E55 IonicContact NH2-OE1 3.49Å; R51-E55 PolarHBondContact NH2-OE1 2.93Å; R51-E55 WeakPolarHBondContact O-CB 3.46Å; R51-E55 WeakPolarHBondContact O-CG 3.32Å; R51-E55 PolarHBondContact O-N 3.17Å; E52-E55 PolarHBondContact O-N 3.07Å; E55-Q58 PolarHBondContact O-N 3.44Å; E55-L59 VanDerWaalsContact O-CB 3.3Å; E55-L59 WeakPolarHBondContact O-CB 3.35Å; E55-L59 PolarHBondContact O-N 3.36Å
56K95.5Very high92.6Very high135 Ų135102.5 Ų102.559%0.58749%0.485SS*.Hα-helixtrans-60.4-49.6173.1-177.7179.6176.5-178.10111.6E52 R54 Q58 L59 E60E52-K56 WeakPolarHBondContact O-CB 3.33Å; E52-K56 PolarHBondContact O-N 3.07Å; R54-K56 VanDerWaalsContact C-N 3.33Å; K56-Q58 VanDerWaalsContact C-N 3.32Å; K56-Q58 PolarHBondContact O-N 3.28Å; K56-L59 PolarHBondContact O-N 2.91Å; K56-E60 WeakPolarHBondContact CE-OE1 3.39Å; K56-E60 WeakPolarHBondContact CG-OE1 3.48Å; K56-E60 WeakPolarHBondContact O-CG 3.32Å; K56-E60 PolarHBondContact O-N 3.18Å
57A95.3Very high91.6Very high56 Ų56102.7 Ų102.746%0.46349%0.485SS..Hα-helixtrans-63.4-37.9177.800000112.3Q53 R54 F61Q53-A57 WeakPolarHBondContact O-CB 3.45Å; Q53-A57 PolarHBondContact O-N 3.1Å; R54-A57 PolarHBondContact O-N 2.91Å; A57-F61 WeakPolarHBondContact O-CB 3.05Å; A57-F61 PolarHBondContact O-N 3.01Å
58Q95Very high90.6Very high98 Ų98101.8 Ų101.846%0.45849%0.485SS..Hα-helixtrans-65.8-42.8175.5-17463.152.600111.3R54 E55 K56 F61 D62R54-Q58 WeakPolarHBondContact O-CB 3.34Å; R54-Q58 PolarHBondContact O-N 3.2Å; E55-Q58 PolarHBondContact O-N 3.44Å; K56-Q58 VanDerWaalsContact C-N 3.32Å; K56-Q58 PolarHBondContact O-N 3.28Å; Q58-F61 WeakPolarHBondContact O-CB 3.38Å; Q58-F61 PolarHBondContact O-N 3.36Å; Q58-D62 PolarHBondContact NE2-OD1 3.49Å; Q58-D62 WeakPolarHBondContact O-CB 3.42Å; Q58-D62 PolarHBondContact O-N 2.95Å
59L93.6Very high89.5Confident96 Ų96104.2 Ų104.250%0.50349%0.493SS..Hα-helixtrans-65-43.7178.4-176.1142000111.4E55 K56 F61 D62 E63E55-L59 VanDerWaalsContact O-CB 3.3Å; E55-L59 WeakPolarHBondContact O-CB 3.35Å; E55-L59 PolarHBondContact O-N 3.36Å; K56-L59 PolarHBondContact O-N 2.91Å; L59-F61 VanDerWaalsContact C-N 3.3Å; L59-F61 PolarHBondContact O-N 3.09Å; L59-D62 PolarHBondContact O-N 3.43Å; L59-E63 HydrophobicContact CD2-CG 4.38Å; L59-E63 WeakPolarHBondContact CD2-OE1 3.33Å; L59-E63 WeakPolarHBondContact O-CB 3.38Å; L59-E63 WeakPolarHBondContact O-CG 3.45Å; L59-E63 PolarHBondContact O-N 3.37Å
60E92Very high88.4Confident105 Ų105104.4 Ų104.449%0.49151%0.506SS..Hα-helixtrans-60.3-40.4173.3-72172.1-167.700111.7K56 A64K56-E60 WeakPolarHBondContact CE-OE1 3.39Å; K56-E60 WeakPolarHBondContact CG-OE1 3.48Å; K56-E60 WeakPolarHBondContact O-CG 3.32Å; K56-E60 PolarHBondContact O-N 3.18Å; E60-A64 WeakPolarHBondContact O-CB 3.48Å; E60-A64 PolarHBondContact O-N 3.25Å
61F92.3Very high86.9Confident113 Ų113106 Ų10650%0.49652%0.519SS..Hα-helixtrans-65.9-45.5175.4-179-93.7000112.1A57 Q58 L59 E63 A64 M65A57-F61 WeakPolarHBondContact O-CB 3.05Å; A57-F61 PolarHBondContact O-N 3.01Å; Q58-F61 WeakPolarHBondContact O-CB 3.38Å; Q58-F61 PolarHBondContact O-N 3.36Å; L59-F61 VanDerWaalsContact C-N 3.3Å; L59-F61 PolarHBondContact O-N 3.09Å; F61-E63 VanDerWaalsContact C-N 3.35Å; F61-E63 PolarHBondContact O-N 3.12Å; F61-A64 PolarHBondContact O-N 3.25Å; F61-M65 HydrophobicContact CD1-CG 3.92Å; F61-M65 HydrophobicContact CD2-CE 4.41Å; F61-M65 HydrophobicContact CD2-CG 4.32Å; F61-M65 HydrophobicContact CE1-CG 3.49Å; F61-M65 VanDerWaalsContact CE1-CG 3.49Å; F61-M65 HydrophobicContact CE2-CE 3.92Å; F61-M65 HydrophobicContact CE2-CG 3.93Å; F61-M65 HydrophobicContact CE2-SD 4.31Å; F61-M65 HydrophobicContact CG-CG 4.32Å; F61-M65 HydrophobicContact CZ-CE 4.28Å; F61-M65 HydrophobicContact CZ-CG 3.49Å; F61-M65 VanDerWaalsContact CZ-CG 3.49Å; F61-M65 HydrophobicContact CZ-SD 4.06Å; F61-M65 WeakPolarHBondContact O-CB 3.24Å; F61-M65 VanDerWaalsContact O-CG 3.31Å; F61-M65 WeakPolarHBondContact O-CG 3.49Å; F61-M65 PolarHBondContact O-N 3.44Å
62D91Very high85.8Confident84 Ų84106.3 Ų106.345%0.44952%0.521SS..Hα-helixtrans-65.2-39179.5-70-13.1000111Q58 L59 K66Q58-D62 PolarHBondContact NE2-OD1 3.49Å; Q58-D62 WeakPolarHBondContact O-CB 3.42Å; Q58-D62 PolarHBondContact O-N 2.95Å; L59-D62 PolarHBondContact O-N 3.43Å; D62-K66 WeakPolarHBondContact O-CA 3.49Å; D62-K66 WeakPolarHBondContact O-CB 3.28Å; D62-K66 PolarHBondContact O-N 3.19Å
63E87Confident85.1Confident124 Ų124105.4 Ų105.458%0.57953%0.531SS*.Hα-helixtrans-64-46.1173.6-75.1-177.8177.500111.7L59 F61 K66 L67L59-E63 HydrophobicContact CD2-CG 4.38Å; L59-E63 WeakPolarHBondContact CD2-OE1 3.33Å; L59-E63 WeakPolarHBondContact O-CB 3.38Å; L59-E63 WeakPolarHBondContact O-CG 3.45Å; L59-E63 PolarHBondContact O-N 3.37Å; F61-E63 VanDerWaalsContact C-N 3.35Å; F61-E63 PolarHBondContact O-N 3.12Å; E63-K66 PolarHBondContact O-N 3.07Å; E63-L67 WeakPolarHBondContact O-CB 3.31Å; E63-L67 PolarHBondContact O-N 3.33Å
64A86.5Confident84.7Confident54 Ų54104.1 Ų104.145%0.44653%0.528SS..Hα-helixtrans-64.2-43.3177.500000112.1E60 F61 K68E60-A64 WeakPolarHBondContact O-CB 3.48Å; E60-A64 PolarHBondContact O-N 3.25Å; F61-A64 PolarHBondContact O-N 3.25Å; A64-K68 VanDerWaalsContact O-CB 3.24Å; A64-K68 WeakPolarHBondContact O-CB 3.35Å; A64-K68 PolarHBondContact O-N 3Å
65M84.6Confident84.3Confident54 Ų5499.1 Ų99.127%0.26652%0.515SS..Hα-helixtrans-70.1-42177.6-71.6-56.2118.600111.5F61 L67 K68 H69F61-M65 HydrophobicContact CD1-CG 3.92Å; F61-M65 HydrophobicContact CD2-CE 4.41Å; F61-M65 HydrophobicContact CD2-CG 4.32Å; F61-M65 HydrophobicContact CE1-CG 3.49Å; F61-M65 VanDerWaalsContact CE1-CG 3.49Å; F61-M65 HydrophobicContact CE2-CE 3.92Å; F61-M65 HydrophobicContact CE2-CG 3.93Å; F61-M65 HydrophobicContact CE2-SD 4.31Å; F61-M65 HydrophobicContact CG-CG 4.32Å; F61-M65 HydrophobicContact CZ-CE 4.28Å; F61-M65 HydrophobicContact CZ-CG 3.49Å; F61-M65 VanDerWaalsContact CZ-CG 3.49Å; F61-M65 HydrophobicContact CZ-SD 4.06Å; F61-M65 WeakPolarHBondContact O-CB 3.24Å; F61-M65 VanDerWaalsContact O-CG 3.31Å; F61-M65 WeakPolarHBondContact O-CG 3.49Å; F61-M65 PolarHBondContact O-N 3.44Å; M65-L67 VanDerWaalsContact C-N 3.34Å; M65-L67 PolarHBondContact O-N 3.15Å; M65-K68 HydrophobicContact CE-CD 4.36Å; M65-K68 WeakPolarHBondContact O-CB 3.32Å; M65-K68 PolarHBondContact O-N 3.19Å; M65-K68 HydrophobicContact SD-CD 4.26Å; M65-H69 PolarHBondContact O-CD2 2.88Å; M65-H69 PolarHBondContact O-N 2.91Å
66K83Confident84Confident154 Ų154101.5 Ų101.567%0.6753%0.53SS*.Hα-helixtrans-59.8-45.2177.5-177.2177.9-178.1-177.90111.3D62 E63 H69 S70D62-K66 WeakPolarHBondContact O-CA 3.49Å; D62-K66 WeakPolarHBondContact O-CB 3.28Å; D62-K66 PolarHBondContact O-N 3.19Å; E63-K66 PolarHBondContact O-N 3.07Å; K66-H69 PolarHBondContact O-N 3.31Å; K66-S70 VanDerWaalsContact O-CB 3.28Å; K66-S70 WeakPolarHBondContact O-CB 3.49Å; K66-S70 PolarHBondContact O-N 3.42Å; K66-S70 PolarHBondContact O-OG 3.42Å
67L71.7Confident83.9Confident118 Ų118101.3 Ų101.362%0.61854%0.535SS*.Hα-helixtrans-67.2-40.5176.9-171.463.4000111.3E63 M65 H69 S70 V71E63-L67 WeakPolarHBondContact O-CB 3.31Å; E63-L67 PolarHBondContact O-N 3.33Å; M65-L67 VanDerWaalsContact C-N 3.34Å; M65-L67 PolarHBondContact O-N 3.15Å; L67-H69 VanDerWaalsContact C-N 3.29Å; L67-H69 PolarHBondContact O-N 2.95Å; L67-S70 PolarHBondContact O-N 3.35Å; L67-V71 HydrophobicContact CD1-CG2 4.13Å; L67-V71 PolarHBondContact O-N 2.7Å
68K74Confident83.7Confident138 Ų138102.7 Ų102.760%0.653%0.532SS*.Hα-helixtrans-59.9-36.7176-175.4-179.9177.9-174.80112.7A64 M65A64-K68 VanDerWaalsContact O-CB 3.24Å; A64-K68 WeakPolarHBondContact O-CB 3.35Å; A64-K68 PolarHBondContact O-N 3Å; M65-K68 HydrophobicContact CE-CD 4.36Å; M65-K68 WeakPolarHBondContact O-CB 3.32Å; M65-K68 PolarHBondContact O-N 3.19Å; M65-K68 HydrophobicContact SD-CD 4.26Å
69H71.4Confident83.6Confident99 Ų99102.7 Ų102.746%0.45854%0.535SS..Hα-helixtrans-86.1-27.2178.4-62.8-61000113.5M65 K66 L67 R72M65-H69 PolarHBondContact O-CD2 2.88Å; M65-H69 PolarHBondContact O-N 2.91Å; K66-H69 PolarHBondContact O-N 3.31Å; L67-H69 VanDerWaalsContact C-N 3.29Å; L67-H69 PolarHBondContact O-N 2.95Å; H69-R72 PolarHBondContact ND1-NH2 3.07Å; H69-R72 WeakPolarHBondContact O-CB 3.42Å; H69-R72 PolarHBondContact O-N 3.02Å
70S70.5Confident83.7Confident85 Ų85104.1 Ų104.159%0.59454%0.539SS*.Hα-helixtrans-74.1-30.6179.9-59.50000113K66 L67K66-S70 VanDerWaalsContact O-CB 3.28Å; K66-S70 WeakPolarHBondContact O-CB 3.49Å; K66-S70 PolarHBondContact O-N 3.42Å; K66-S70 PolarHBondContact O-OG 3.42Å; L67-S70 PolarHBondContact O-N 3.35Å
71V64.3Low84Confident120 Ų120105.9 Ų105.973%0.72755%0.546SS*.THydrogen-bonded Turntrans-104.420.5175.2-163.60000110.8L67 G73L67-V71 HydrophobicContact CD1-CG2 4.13Å; L67-V71 PolarHBondContact O-N 2.7Å; V71-G73 PolarHBondContact O-N 3.35Å
72R72.8Confident84.1Confident126 Ų126103.7 Ų103.748%0.47554%0.538SS..PPolyproline II helixtrans-78122.9168.2-171.1144.255.290.75107.4H69 D75H69-R72 PolarHBondContact ND1-NH2 3.07Å; H69-R72 WeakPolarHBondContact O-CB 3.42Å; H69-R72 PolarHBondContact O-N 3.02Å; R72-D75 IonicContact NH1-OD1 3.8Å; R72-D75 IonicContact NH1-OD2 2.96Å; R72-D75 PolarHBondContact NH1-OD2 2.8Å
73G80.2Confident84.4Confident55 Ų55105.6 Ų105.657%0.56754%0.544SS*.PPolyproline II helixtrans-55.2158170.500000110.3V71 D75V71-G73 PolarHBondContact O-N 3.35Å; G73-D75 PolarHBondContact O-N 3.1Å
74L85.9Confident84.9Confident105 Ų105103.1 Ų103.155%0.5553%0.533SS..PPolyproline II helixtrans-59.4129.6169.1-67.6164.9000108E78 I82L74-E78 WeakPolarHBondContact CA-OE2 3.49Å; L74-E78 HydrophobicContact CB-CB 4.31Å; L74-E78 HydrophobicContact CD2-CB 4.23Å; L74-I82 HydrophobicContact CD1-CD1 3.55Å; L74-I82 HydrophobicContact CD2-CD1 4.04Å; L74-I82 HydrophobicContact CG-CD1 4.4Å
75D86.9Confident85.4Confident74 Ų74103.5 Ų103.540%0.39653%0.53SS..PPolyproline II helixtrans-67.4156.9175.1-62.9-27.4000109R72 G73 D77 E78 L79R72-D75 IonicContact NH1-OD1 3.8Å; R72-D75 IonicContact NH1-OD2 2.96Å; R72-D75 PolarHBondContact NH1-OD2 2.8Å; G73-D75 PolarHBondContact O-N 3.1Å; D75-D77 PolarHBondContact O-N 3Å; D75-E78 HydrophobicContact CB-CG 4.19Å; D75-E78 PolarHBondContact N-OE2 3.34Å; D75-E78 VanDerWaalsContact N-OE2 3.09Å; D75-E78 WeakPolarHBondContact O-CA 3.03Å; D75-E78 WeakPolarHBondContact O-CB 3.31Å; D75-E78 PolarHBondContact O-N 3.43Å; D75-L79 PolarHBondContact O-N 3.31Å
76D91Very high86Confident138 Ų138105.3 Ų105.374%0.73854%0.54SS*.Hα-helixtrans-55.8-38.6-174.8-71.4-27.7000112.5E78 L79 E80D76-E78 VanDerWaalsContact C-N 3.35Å; D76-L79 PolarHBondContact O-N 2.78Å; D76-E80 PolarHBondContact O-N 3.48Å
77D92.5Very high86.7Confident131 Ų131103.3 Ų103.370%0.70153%0.528SS*.Hα-helixtrans-65.7-36.5175.7-61.7-10.5000112.1D75 F81D75-D77 PolarHBondContact O-N 3Å; D77-F81 PolarHBondContact O-N 3.5Å
78E92.4Very high88Confident85 Ų85101.7 Ų101.740%0.39752%0.52SS..Hα-helixtrans-70.2-38177.2-63.2179.415900110.8L74 D75 D76 F81 I82L74-E78 WeakPolarHBondContact CA-OE2 3.49Å; L74-E78 HydrophobicContact CB-CB 4.31Å; L74-E78 HydrophobicContact CD2-CB 4.23Å; D75-E78 HydrophobicContact CB-CG 4.19Å; D75-E78 PolarHBondContact N-OE2 3.34Å; D75-E78 VanDerWaalsContact N-OE2 3.09Å; D75-E78 WeakPolarHBondContact O-CA 3.03Å; D75-E78 WeakPolarHBondContact O-CB 3.31Å; D75-E78 PolarHBondContact O-N 3.43Å; D76-E78 VanDerWaalsContact C-N 3.35Å; E78-F81 PolarHBondContact O-N 3.32Å; E78-I82 WeakPolarHBondContact O-CG1 3.42Å; E78-I82 PolarHBondContact O-N 2.99Å
79L92.8Very high89.1Confident98 Ų98103 Ų10351%0.51352%0.521SS..Hα-helixtrans-65-45174.3-177.164.3000111.4D75 D76 F81 I82 E83D75-L79 PolarHBondContact O-N 3.31Å; D76-L79 PolarHBondContact O-N 2.78Å; L79-F81 VanDerWaalsContact C-N 3.3Å; L79-F81 PolarHBondContact O-N 3.26Å; L79-I82 PolarHBondContact O-N 3.43Å; L79-I82 VanDerWaalsContact O-N 3.17Å; L79-E83 PolarHBondContact O-N 2.81Å
80E95.5Very high90.3Very high127 Ų127102.1 Ų102.159%0.59353%0.526SS*.Hα-helixtrans-59.6-41.6175.6-177.3177.6-17000111.3D76 I82 E83 Q84D76-E80 PolarHBondContact O-N 3.48Å; E80-I82 PolarHBondContact O-N 3.36Å; E80-E83 PolarHBondContact O-N 2.81Å; E80-Q84 WeakPolarHBondContact O-CB 3.37Å; E80-Q84 PolarHBondContact O-N 3.3Å
81F96.9Very high91.6Very high142 Ų142104 Ų10462%0.62353%0.525SS*.Hα-helixtrans-60.5-44.4174.9175.2-101.9000112.1D77 E78 L79 Q84 V85D77-F81 PolarHBondContact O-N 3.5Å; E78-F81 PolarHBondContact O-N 3.32Å; L79-F81 VanDerWaalsContact C-N 3.3Å; L79-F81 PolarHBondContact O-N 3.26Å; F81-Q84 PolarHBondContact O-N 2.87Å; F81-V85 HydrophobicContact CD1-CG2 4.34Å; F81-V85 HydrophobicContact CD2-CG2 4.43Å; F81-V85 HydrophobicContact CE1-CG2 3.88Å; F81-V85 HydrophobicContact CE2-CG2 3.98Å; F81-V85 HydrophobicContact CZ-CG2 3.68Å; F81-V85 VanDerWaalsContact O-CG2 3.32Å; F81-V85 WeakPolarHBondContact O-CG2 3.33Å; F81-V85 PolarHBondContact O-N 3.21Å
82I95.9Very high93.2Very high66 Ų66103.7 Ų103.734%0.33852%0.517SS..Hα-helixtrans-63.6-44.4177.2-68.5163.1000110.7L74 E78 L79 E80 Q84 V85 D86L74-I82 HydrophobicContact CD1-CD1 3.55Å; L74-I82 HydrophobicContact CD2-CD1 4.04Å; L74-I82 HydrophobicContact CG-CD1 4.4Å; E78-I82 WeakPolarHBondContact O-CG1 3.42Å; E78-I82 PolarHBondContact O-N 2.99Å; L79-I82 PolarHBondContact O-N 3.43Å; L79-I82 VanDerWaalsContact O-N 3.17Å; E80-I82 PolarHBondContact O-N 3.36Å; I82-Q84 VanDerWaalsContact C-N 3.32Å; I82-Q84 PolarHBondContact O-N 2.94Å; I82-V85 PolarHBondContact O-N 3.39Å; I82-D86 WeakPolarHBondContact O-CB 3.41Å; I82-D86 PolarHBondContact O-N 3.24Å
83E96.3Very high94.4Very high124 Ų124100.7 Ų100.758%0.57951%0.511SS*.Hα-helixtrans-60.5-42.2176.2-173-176.7173.300111.6L79 E80 D86 R87L79-E83 PolarHBondContact O-N 2.81Å; E80-E83 PolarHBondContact O-N 2.81Å; E83-D86 PolarHBondContact O-N 2.84Å; E83-R87 WeakPolarHBondContact O-CB 3.41Å; E83-R87 PolarHBondContact O-N 3.36Å
84Q97.5Very high95.2Very high73 Ų73107.4 Ų107.434%0.34152%0.519SS..Hα-helixtrans-63.8-40.8176.5175.764.78400112.1E80 F81 I82 I88E80-Q84 WeakPolarHBondContact O-CB 3.37Å; E80-Q84 PolarHBondContact O-N 3.3Å; F81-Q84 PolarHBondContact O-N 2.87Å; I82-Q84 VanDerWaalsContact C-N 3.32Å; I82-Q84 PolarHBondContact O-N 2.94Å; Q84-I88 HydrophobicContact CG-CD1 4.1Å; Q84-I88 WeakPolarHBondContact O-CD1 3.48Å; Q84-I88 VanDerWaalsContact O-CG1 3.25Å; Q84-I88 WeakPolarHBondContact O-CG1 3.36Å; Q84-I88 PolarHBondContact O-N 3.44Å
85V97.5Very high95.8Very high62 Ų62108.7 Ų108.738%0.37652%0.52SS..Hα-helixtrans-64.9-45.4175.2168.80000110.7F81 I82 R87 I88 R89F81-V85 HydrophobicContact CD1-CG2 4.34Å; F81-V85 HydrophobicContact CD2-CG2 4.43Å; F81-V85 HydrophobicContact CE1-CG2 3.88Å; F81-V85 HydrophobicContact CE2-CG2 3.98Å; F81-V85 HydrophobicContact CZ-CG2 3.68Å; F81-V85 VanDerWaalsContact O-CG2 3.32Å; F81-V85 WeakPolarHBondContact O-CG2 3.33Å; F81-V85 PolarHBondContact O-N 3.21Å; I82-V85 PolarHBondContact O-N 3.39Å; V85-R87 VanDerWaalsContact C-N 3.33Å; V85-R87 PolarHBondContact O-N 3.27Å; V85-I88 PolarHBondContact O-N 3.44Å; V85-R89 WeakPolarHBondContact O-CB 3.33Å; V85-R89 PolarHBondContact O-N 3.32Å
86D97.6Very high96.3Very high91 Ų91108.5 Ų108.549%0.48752%0.518SS..Hα-helixtrans-62.6-40.7177.7-81.6-15.8000111.6I82 E83 R89 S90I82-D86 WeakPolarHBondContact O-CB 3.41Å; I82-D86 PolarHBondContact O-N 3.24Å; E83-D86 PolarHBondContact O-N 2.84Å; D86-R89 PolarHBondContact O-N 3Å; D86-S90 VanDerWaalsContact O-CB 3.24Å; D86-S90 WeakPolarHBondContact O-CB 3.03Å; D86-S90 PolarHBondContact O-N 3.43Å
87R97.6Very high96.6Very high112 Ų112110 Ų11042%0.42351%0.513SS..Hα-helixtrans-57.9-51.5171.8173.216956.1-147.42.4111.5E83 V85 R89 S90 E91E83-R87 WeakPolarHBondContact O-CB 3.41Å; E83-R87 PolarHBondContact O-N 3.36Å; V85-R87 VanDerWaalsContact C-N 3.33Å; V85-R87 PolarHBondContact O-N 3.27Å; R87-R89 VanDerWaalsContact C-N 3.32Å; R87-R89 PolarHBondContact O-N 3.45Å; R87-S90 PolarHBondContact O-N 2.86Å; R87-E91 WeakPolarHBondContact O-CG 3.45Å; R87-E91 PolarHBondContact O-N 2.8Å
88I97.6Very high96.8Very high85 Ų85107.2 Ų107.244%0.43650%0.504SS..Hα-helixtrans-60.1-44.2179.7-70.8163.2000110.9Q84 V85 E91 M92Q84-I88 HydrophobicContact CG-CD1 4.1Å; Q84-I88 WeakPolarHBondContact O-CD1 3.48Å; Q84-I88 VanDerWaalsContact O-CG1 3.25Å; Q84-I88 WeakPolarHBondContact O-CG1 3.36Å; Q84-I88 PolarHBondContact O-N 3.44Å; V85-I88 PolarHBondContact O-N 3.44Å; I88-E91 PolarHBondContact O-N 3.36Å; I88-M92 WeakPolarHBondContact O-CB 3.37Å; I88-M92 PolarHBondContact O-N 3.01Å
89R97.7Very high97.1Very high166 Ų166107.9 Ų107.963%0.62651%0.507SS*.Hα-helixtrans-63.7-45.3179.2-174.2178.4-179.3-179.62111.5V85 D86 R87 E91 M92 D93V85-R89 WeakPolarHBondContact O-CB 3.33Å; V85-R89 PolarHBondContact O-N 3.32Å; D86-R89 PolarHBondContact O-N 3Å; R87-R89 VanDerWaalsContact C-N 3.32Å; R87-R89 PolarHBondContact O-N 3.45Å; R89-E91 PolarHBondContact O-N 2.79Å; R89-M92 PolarHBondContact O-N 2.9Å; R89-D93 WeakPolarHBondContact O-CB 3.45Å; R89-D93 PolarHBondContact O-N 3.15Å
90S97.2Very high97.3Very high80 Ų80108.6 Ų108.656%0.55951%0.508SS*.Hα-helixtrans-63-40.8177.8-174.30000112.2D86 R87 D93 R94D86-S90 VanDerWaalsContact O-CB 3.24Å; D86-S90 WeakPolarHBondContact O-CB 3.03Å; D86-S90 PolarHBondContact O-N 3.43Å; R87-S90 PolarHBondContact O-N 2.86Å; S90-D93 PolarHBondContact O-N 3Å; S90-R94 VanDerWaalsContact O-CB 3.28Å; S90-R94 WeakPolarHBondContact O-CB 3.2Å; S90-R94 PolarHBondContact O-N 3.46Å
91E97.9Very high97.4Very high123 Ų123108 Ų10858%0.57551%0.505SS*.Hα-helixtrans-64.6-42.7175.1-75.1177.7-177.200112.3R87 I88 R89 R94 K95R87-E91 WeakPolarHBondContact O-CG 3.45Å; R87-E91 PolarHBondContact O-N 2.8Å; I88-E91 PolarHBondContact O-N 3.36Å; R89-E91 PolarHBondContact O-N 2.79Å; E91-R94 PolarHBondContact O-N 2.85Å; E91-K95 WeakPolarHBondContact O-CB 3.3Å; E91-K95 PolarHBondContact O-N 2.7Å
92M97.3Very high97.4Very high115 Ų115107.8 Ų107.857%0.56751%0.506SS*.Hα-helixtrans-61.8-49.1175.2-173.5-173.7-65.700111.1I88 R89 R94 K95 I96I88-M92 WeakPolarHBondContact O-CB 3.37Å; I88-M92 PolarHBondContact O-N 3.01Å; R89-M92 PolarHBondContact O-N 2.9Å; M92-R94 VanDerWaalsContact C-N 3.3Å; M92-R94 PolarHBondContact O-N 3.42Å; M92-K95 WeakPolarHBondContact O-CB 3.4Å; M92-K95 PolarHBondContact O-N 2.91Å; M92-K95 VanDerWaalsContact O-N 3.15Å; M92-I96 HydrophobicContact CG-CD1 4.04Å; M92-I96 WeakPolarHBondContact O-CG1 3.44Å; M92-I96 PolarHBondContact O-N 3.3Å
93D97.8Very high97.4Very high63 Ų63109 Ų10934%0.33752%0.517SS..Hα-helixtrans-61.2-39.3177.9-75.7-14.1000111.4R89 S90 R97R89-D93 WeakPolarHBondContact O-CB 3.45Å; R89-D93 PolarHBondContact O-N 3.15Å; S90-D93 PolarHBondContact O-N 3Å; D93-R97 VanDerWaalsContact O-CG 3.29Å; D93-R97 WeakPolarHBondContact O-CG 3.37Å; D93-R97 PolarHBondContact O-N 3.49Å
94R97.7Very high97.4Very high196 Ų196107.1 Ų107.174%0.7451%0.51SS*.Hα-helixtrans-63.2-42.4174.8-177.7-180179.1-175.70.3111.7S90 E91 M92 R97 S98S90-R94 VanDerWaalsContact O-CB 3.28Å; S90-R94 WeakPolarHBondContact O-CB 3.2Å; S90-R94 PolarHBondContact O-N 3.46Å; E91-R94 PolarHBondContact O-N 2.85Å; M92-R94 VanDerWaalsContact C-N 3.3Å; M92-R94 PolarHBondContact O-N 3.42Å; R94-R97 PolarHBondContact O-N 2.96Å; R94-S98 PolarHBondContact O-N 3.35Å
95K97.7Very high97.3Very high132 Ų132107.8 Ų107.857%0.57451%0.512SS*.Hα-helixtrans-64.4-47.1178.2-176.8174.7175.8178.30111.2E91 M92 R97 S98 E99E91-K95 WeakPolarHBondContact O-CB 3.3Å; E91-K95 PolarHBondContact O-N 2.7Å; M92-K95 WeakPolarHBondContact O-CB 3.4Å; M92-K95 PolarHBondContact O-N 2.91Å; M92-K95 VanDerWaalsContact O-N 3.15Å; K95-R97 VanDerWaalsContact C-N 3.34Å; K95-R97 PolarHBondContact O-N 2.79Å; K95-S98 WeakPolarHBondContact O-CB 3.48Å; K95-S98 PolarHBondContact O-N 2.81Å; K95-S98 VanDerWaalsContact O-N 3.15Å; K95-E99 WeakPolarHBondContact CE-OE1 3.43Å; K95-E99 WeakPolarHBondContact CG-OE1 3.37Å; K95-E99 WeakPolarHBondContact O-CG 3.17Å; K95-E99 PolarHBondContact O-N 2.91Å
96I97.3Very high97.1Very high69 Ų69107.4 Ų107.435%0.35452%0.516SS..Hα-helixtrans-56.2-49.4175.9-67.6166.1000110.2M92 S98 E99 E100M92-I96 HydrophobicContact CG-CD1 4.04Å; M92-I96 WeakPolarHBondContact O-CG1 3.44Å; M92-I96 PolarHBondContact O-N 3.3Å; I96-S98 VanDerWaalsContact C-N 3.3Å; I96-S98 PolarHBondContact O-N 2.77Å; I96-E99 PolarHBondContact O-N 3.18Å; I96-E100 HydrophobicContact CG2-CG 4.27Å; I96-E100 WeakPolarHBondContact O-CB 3.37Å; I96-E100 WeakPolarHBondContact O-CG 3.44Å; I96-E100 PolarHBondContact O-N 3.34Å
97R97.6Very high97Very high170 Ų170106.8 Ų106.864%0.64252%0.516SS*.Hα-helixtrans-60.4-38178.3-72176.2-166.7169.17.9113.1D93 R94 K95 Q101D93-R97 VanDerWaalsContact O-CG 3.29Å; D93-R97 WeakPolarHBondContact O-CG 3.37Å; D93-R97 PolarHBondContact O-N 3.49Å; R94-R97 PolarHBondContact O-N 2.96Å; K95-R97 VanDerWaalsContact C-N 3.34Å; K95-R97 PolarHBondContact O-N 2.79Å; R97-Q101 VanDerWaalsContact O-CB 3.25Å; R97-Q101 WeakPolarHBondContact O-CB 3.28Å; R97-Q101 PolarHBondContact O-N 3.24Å
98S97.6Very high96.9Very high72 Ų72109.4 Ų109.450%0.50353%0.525SS..Hα-helixtrans-65.8-45.7177.5-171.50000111.5R94 K95 I96 Q101 E102R94-S98 PolarHBondContact O-N 3.35Å; K95-S98 WeakPolarHBondContact O-CB 3.48Å; K95-S98 PolarHBondContact O-N 2.81Å; K95-S98 VanDerWaalsContact O-N 3.15Å; I96-S98 VanDerWaalsContact C-N 3.3Å; I96-S98 PolarHBondContact O-N 2.77Å; S98-Q101 PolarHBondContact O-N 2.63Å; S98-E102 PolarHBondContact O-N 2.96Å
99E97.2Very high96.7Very high100 Ų100111.7 Ų111.747%0.46753%0.534SS..Hα-helixtrans-64.2-44.6177.5-69.1173.8-172.800111K95 I96 Q101 E102 V103K95-E99 WeakPolarHBondContact CE-OE1 3.43Å; K95-E99 WeakPolarHBondContact CG-OE1 3.37Å; K95-E99 WeakPolarHBondContact O-CG 3.17Å; K95-E99 PolarHBondContact O-N 2.91Å; I96-E99 PolarHBondContact O-N 3.18Å; E99-Q101 VanDerWaalsContact C-N 3.35Å; E99-Q101 PolarHBondContact O-N 3.14Å; E99-E102 PolarHBondContact O-N 3.45Å; E99-V103 WeakPolarHBondContact O-CG2 3.45Å; E99-V103 PolarHBondContact O-N 3.06Å
100E97.3Very high96.3Very high112 Ų112107.3 Ų107.352%0.52353%0.534SS..Hα-helixtrans-60-43.5174.9-73.5177.3169.800111.9I96 V103 I104I96-E100 HydrophobicContact CG2-CG 4.27Å; I96-E100 WeakPolarHBondContact O-CB 3.37Å; I96-E100 WeakPolarHBondContact O-CG 3.44Å; I96-E100 PolarHBondContact O-N 3.34Å; E100-V103 PolarHBondContact O-N 2.99Å; E100-I104 WeakPolarHBondContact O-CB 3.47Å; E100-I104 WeakPolarHBondContact O-CD1 3.12Å; E100-I104 VanDerWaalsContact O-CG1 3.23Å; E100-I104 WeakPolarHBondContact O-CG1 3.44Å; E100-I104 PolarHBondContact O-N 3.3Å
101Q97.7Very high95.9Very high116 Ų116110.5 Ų110.554%0.54254%0.542SS..Hα-helixtrans-64.7-40.8178.3179.1175-400111.9R97 S98 E99 I104 Q105R97-Q101 VanDerWaalsContact O-CB 3.25Å; R97-Q101 WeakPolarHBondContact O-CB 3.28Å; R97-Q101 PolarHBondContact O-N 3.24Å; S98-Q101 PolarHBondContact O-N 2.63Å; E99-Q101 VanDerWaalsContact C-N 3.35Å; E99-Q101 PolarHBondContact O-N 3.14Å; Q101-I104 PolarHBondContact O-N 3.01Å; Q101-Q105 WeakPolarHBondContact O-CB 3.15Å; Q101-Q105 VanDerWaalsContact O-CG 3.29Å; Q101-Q105 WeakPolarHBondContact O-CG 3.19Å; Q101-Q105 PolarHBondContact O-N 3.47Å
102E97.2Very high95.3Very high136 Ų136110.6 Ų110.664%0.63655%0.55SS**Hα-helixtrans-62.5-45.2175.2-174.7178.3176.700111.3S98 E99 I104 Q105 A106S98-E102 PolarHBondContact O-N 2.96Å; E99-E102 PolarHBondContact O-N 3.45Å; E102-I104 PolarHBondContact O-N 3.49Å; E102-Q105 PolarHBondContact O-N 3.29Å; E102-A106 PolarHBondContact O-N 3.5Å
103V96.1Very high93.8Very high93 Ų93108.6 Ų108.656%0.56455%0.547SS*.Hα-helixtrans-61.2-44.9176.21720000111.2E99 E100 Q105 A106 V107E99-V103 WeakPolarHBondContact O-CG2 3.45Å; E99-V103 PolarHBondContact O-N 3.06Å; E100-V103 PolarHBondContact O-N 2.99Å; V103-Q105 VanDerWaalsContact C-N 3.32Å; V103-Q105 PolarHBondContact O-N 3.36Å; V103-A106 PolarHBondContact O-N 3.01Å; V103-V107 WeakPolarHBondContact O-CG2 3.34Å; V103-V107 PolarHBondContact O-N 3.46Å
104I95.6Very high91.9Very high84 Ų84110.1 Ų110.143%0.43156%0.561SS.*Hα-helixtrans-61.2-41.7176.5-69.4164.6000110.8E100 Q101 E102 V107 R108E100-I104 WeakPolarHBondContact O-CB 3.47Å; E100-I104 WeakPolarHBondContact O-CD1 3.12Å; E100-I104 VanDerWaalsContact O-CG1 3.23Å; E100-I104 WeakPolarHBondContact O-CG1 3.44Å; E100-I104 PolarHBondContact O-N 3.3Å; Q101-I104 PolarHBondContact O-N 3.01Å; E102-I104 PolarHBondContact O-N 3.49Å; I104-V107 PolarHBondContact O-N 3.5Å; I104-R108 HydrophobicContact CG2-CG 4.49Å; I104-R108 WeakPolarHBondContact O-CB 3.44Å; I104-R108 VanDerWaalsContact O-CG 3.29Å; I104-R108 WeakPolarHBondContact O-CG 3.33Å; I104-R108 PolarHBondContact O-N 3.25Å
105Q96.1Very high89.9Confident86 Ų86107.1 Ų107.140%0.40256%0.564SS.*Hα-helixtrans-64.7-44.1176.9-74.6178.837.300112Q101 E102 V103 V107 R108 Q109Q101-Q105 WeakPolarHBondContact O-CB 3.15Å; Q101-Q105 VanDerWaalsContact O-CG 3.29Å; Q101-Q105 WeakPolarHBondContact O-CG 3.19Å; Q101-Q105 PolarHBondContact O-N 3.47Å; E102-Q105 PolarHBondContact O-N 3.29Å; V103-Q105 VanDerWaalsContact C-N 3.32Å; V103-Q105 PolarHBondContact O-N 3.36Å; Q105-V107 VanDerWaalsContact C-N 3.34Å; Q105-V107 PolarHBondContact O-N 3.45Å; Q105-R108 PolarHBondContact O-N 2.89Å; Q105-Q109 WeakPolarHBondContact O-CG 3.44Å; Q105-Q109 PolarHBondContact O-N 2.87Å
106A94.2Very high87.8Confident55 Ų55105 Ų10546%0.45557%0.566SS.*Hα-helixtrans-60.8-42.217700000111.9E102 V103 Q109 A110E102-A106 PolarHBondContact O-N 3.5Å; V103-A106 PolarHBondContact O-N 3.01Å; A106-Q109 PolarHBondContact O-N 2.86Å; A106-A110 WeakPolarHBondContact O-CB 3.36Å; A106-A110 PolarHBondContact O-N 3.33Å
107V95.1Very high85.5Confident78 Ų78108.7 Ų108.747%0.47359%0.586SS.*Hα-helixtrans-64.6-44.5175.4173.20000111.1V103 I104 Q105 Q109 A110 M111V103-V107 WeakPolarHBondContact O-CG2 3.34Å; V103-V107 PolarHBondContact O-N 3.46Å; I104-V107 PolarHBondContact O-N 3.5Å; Q105-V107 VanDerWaalsContact C-N 3.34Å; Q105-V107 PolarHBondContact O-N 3.45Å; V107-Q109 VanDerWaalsContact C-N 3.35Å; V107-Q109 PolarHBondContact O-N 3.49Å; V107-A110 PolarHBondContact O-N 3.42Å; V107-M111 HydrophobicContact CG1-CG 4.4Å; V107-M111 HydrophobicContact CG1-SD 3.88Å; V107-M111 VanDerWaalsContact O-CG 3.3Å; V107-M111 WeakPolarHBondContact O-CG 3.4Å; V107-M111 PolarHBondContact O-N 3.33Å
108R94.7Very high83.2Confident167 Ų167107.4 Ų107.463%0.6360%0.597SS**Hα-helixtrans-59.7-43.9175.8-74.3174.6-177.1175.22.8111.8I104 Q105 M111 V112I104-R108 HydrophobicContact CG2-CG 4.49Å; I104-R108 WeakPolarHBondContact O-CB 3.44Å; I104-R108 VanDerWaalsContact O-CG 3.29Å; I104-R108 WeakPolarHBondContact O-CG 3.33Å; I104-R108 PolarHBondContact O-N 3.25Å; Q105-R108 PolarHBondContact O-N 2.89Å; R108-M111 PolarHBondContact O-N 3.07Å; R108-V112 WeakPolarHBondContact O-CB 3.35Å; R108-V112 VanDerWaalsContact O-CG2 3.29Å; R108-V112 WeakPolarHBondContact O-CG2 3.46Å; R108-V112 PolarHBondContact O-N 2.96Å
109Q92.8Very high80.9Confident132 Ų132108 Ų10862%0.61760%0.601SS**Hα-helixtrans-63.3-42.3176.6-71.6174.69.700111.8Q105 A106 V107 M111 V112 S113Q105-Q109 WeakPolarHBondContact O-CG 3.44Å; Q105-Q109 PolarHBondContact O-N 2.87Å; A106-Q109 PolarHBondContact O-N 2.86Å; V107-Q109 VanDerWaalsContact C-N 3.35Å; V107-Q109 PolarHBondContact O-N 3.49Å; Q109-M111 VanDerWaalsContact C-N 3.34Å; Q109-M111 PolarHBondContact O-N 3.23Å; Q109-V112 PolarHBondContact O-N 3.45Å; Q109-S113 VanDerWaalsContact O-CB 3.22Å; Q109-S113 WeakPolarHBondContact O-CB 3.21Å; Q109-S113 PolarHBondContact O-N 3.02Å
110A90.8Very high78.6Confident75 Ų75110.9 Ų110.962%0.6262%0.62SS**Hα-helixtrans-65.8-33.9176.900000113.1A106 V107A106-A110 WeakPolarHBondContact O-CB 3.36Å; A106-A110 PolarHBondContact O-N 3.33Å; V107-A110 PolarHBondContact O-N 3.42Å
111M87.8Confident76.3Confident147 Ų147111.8 Ų111.872%0.72463%0.633SS**Hα-helixtrans-75.4-37175.8-68.1174.9106.900112.8V107 R108 Q109V107-M111 HydrophobicContact CG1-CG 4.4Å; V107-M111 HydrophobicContact CG1-SD 3.88Å; V107-M111 VanDerWaalsContact O-CG 3.3Å; V107-M111 WeakPolarHBondContact O-CG 3.4Å; V107-M111 PolarHBondContact O-N 3.33Å; R108-M111 PolarHBondContact O-N 3.07Å; Q109-M111 VanDerWaalsContact C-N 3.34Å; Q109-M111 PolarHBondContact O-N 3.23Å
112V85.3Confident73.8Confident125 Ų125111.3 Ų111.376%0.75864%0.642SS**Hα-helixtrans-81.6-15.9178.7176.20000112.6R108 Q109 P114R108-V112 WeakPolarHBondContact O-CB 3.35Å; R108-V112 VanDerWaalsContact O-CG2 3.29Å; R108-V112 WeakPolarHBondContact O-CG2 3.46Å; R108-V112 PolarHBondContact O-N 2.96Å; Q109-V112 PolarHBondContact O-N 3.45Å; V112-P114 WeakPolarHBondContact O-CD 3.49Å
113S66.6Low71.2Confident72 Ų72110.6 Ų110.650%0.50365%0.647SS.*  trans-98.561.9170.9-179.80000112.9Q109Q109-S113 VanDerWaalsContact O-CB 3.22Å; Q109-S113 WeakPolarHBondContact O-CB 3.21Å; Q109-S113 PolarHBondContact O-N 3.02Å
114P57.9Low68.7Low95 Ų95109.1 Ų109.162%0.61765%0.65SS**  trans-77135.8158.935.5-28.3000108V112V112-P114 WeakPolarHBondContact O-CD 3.49Å
115V54.9Low66.2Low134 Ų134112.4 Ų112.481%0.81267%0.669SS**SBendtrans80.937.1159.4-139.70000119.5
116S53.8Low63.7Low87 Ų87112.3 Ų112.361%0.60868%0.683SS**SBendtrans-142.859.5161.363.90000113.9
117N49.9Very low60.9Low146 Ų146114.8 Ų114.878%0.78170%0.695SS**  trans-163.861.8150.8-91.5-25000109.5S119N117-S119 VanDerWaalsContact C-N 3.28Å
118V49.4Very low59Low143 Ų143116.8 Ų116.887%0.86771%0.71SS**  trans-96.555.5155.5-71.20000108.6
119S49.2Very low56.6Low86 Ų86117.3 Ų117.360%0.60172%0.717SS**SBendtrans-157.1119.3165.358.80000108.6N117N117-S119 VanDerWaalsContact C-N 3.28Å
120N47.4Very low54.6Low160 Ų160122.7 Ų122.786%0.85673%0.732SS**  trans78.354.1179.4-67-9.1000118.1
121V49.3Very low52.5Low130 Ų130123.6 Ų123.679%0.78874%0.739SS**  trans-105.196131.8-169.70000105.8V123V121-V123 VanDerWaalsContact C-N 3.34Å; V121-V123 PolarHBondContact O-N 2.91Å
122S45Very low50.5Low107 Ų107121 Ų12175%0.74874%0.741SS**  trans-55.2104.7166.6170.90000107G124S122-G124 PolarHBondContact O-N 3.37Å
123V44.1Very low48.7Very low120 Ų120119.8 Ų119.873%0.72774%0.738SS**  trans-63.482.9164-176.10000105.8V121 N125V121-V123 VanDerWaalsContact C-N 3.34Å; V121-V123 PolarHBondContact O-N 2.91Å; V123-N125 PolarHBondContact O-N 3.37Å
124G43.7Very low48.1Very low62 Ų62123.5 Ų123.564%0.63975%0.752SS**  trans-7073.8170.100000109.1S122 A126S122-G124 PolarHBondContact O-N 3.37Å; G124-A126 PolarHBondContact O-N 3.48Å
125N41.3Very low48Very low153 Ų153129.1 Ų129.182%0.81877%0.767SS**  trans-63.684.1157.1-92.820.5000107.7V123V123-N125 PolarHBondContact O-N 3.37Å
126A43.9Very low48.5Very low84 Ų84129.1 Ų129.169%0.69477%0.767SS**  trans-130.383.9165.300000107.7G124 P128G124-A126 PolarHBondContact O-N 3.48Å; A126-P128 VanDerWaalsContact O-CD 3.22Å; A126-P128 WeakPolarHBondContact O-CD 3.4Å
127C35.3Very low49.3Very low107 Ų107131.5 Ų131.572%0.72377%0.769SS**  trans-64.2117.4161.4175.40000108.8
128P55.7Low50.8Low120 Ų120128.2 Ų128.278%0.77976%0.757SS**  trans-98.997.5156.825.3-5.5000106.9A126 R130A126-P128 VanDerWaalsContact O-CD 3.22Å; A126-P128 WeakPolarHBondContact O-CD 3.4Å; P128-R130 PolarHBondContact O-N 2.95Å; P128-R130 VanDerWaalsContact O-N 3.15Å
129K44.7Very low52.3Low179 Ų179130.6 Ų130.678%0.77876%0.756SS**  trans-58115.7155.2-67.7176.9-178.7174.20106.6
130R49.9Very low54Low244 Ų244133.3 Ų133.392%0.92176%0.759SS**  trans177.4128.7137.2-96164.8-126.5-148.14.6112.8P128P128-R130 PolarHBondContact O-N 2.95Å; P128-R130 VanDerWaalsContact O-N 3.15Å
131A47.1Very low55.6Low94 Ų94127.9 Ų127.978%0.77774%0.736SS**  trans71.499.6144.600000119.8
132A45.9Very low57.1Low92 Ų92125.8 Ų125.876%0.7672%0.724SS**  35.6127.9125.700000120.9
133S46.8Very low58.7Low101 Ų101127.5 Ų127.571%0.70672%0.724SS**  trans69.4101.3156.568.10000117.9
134N54.7Low60.5Low149 Ų149126.5 Ų126.580%0.79771%0.714SS**  175.4122110.7-79.9-28.4000109.2V136N134-V136 PolarHBondContact O-N 3.29Å
135K56.2Low62.1Low214 Ų214127 Ų12793%0.9371%0.712SS**  trans-76.388.5-174.6-62.2-179.8-177.4-170.50109.9
136V65.2Low63.5Low134 Ų134122.2 Ų122.281%0.81270%0.699SS**  trans-91.5108.9167-1730000107.3N134 S138N134-V136 PolarHBondContact O-N 3.29Å; V136-S138 PolarHBondContact O-N 2.84Å
137Q70.9Confident65Low137 Ų137122.1 Ų122.164%0.6470%0.698SS**  trans-66132.9176-64.1-157.5-19.800109.8
138S81.7Confident66.6Low76 Ų76123 Ų12353%0.53169%0.694SS.*  trans-57.3140.2173.7167.80000110.4V136 Q140 A141 T142V136-S138 PolarHBondContact O-N 2.84Å; S138-Q140 PolarHBondContact O-N 2.88Å; S138-Q140 PolarHBondContact OG-N 3.12Å; S138-A141 WeakPolarHBondContact O-CA 2.93Å; S138-A141 WeakPolarHBondContact O-CB 3.29Å; S138-A141 PolarHBondContact O-N 2.79Å; S138-T142 PolarHBondContact O-N 3.27Å; S138-T142 VanDerWaalsContact O-N 3.1Å; S138-T142 PolarHBondContact O-OG1 3.42Å
139K81.1Confident67.4Low194 Ų194128.1 Ų128.184%0.84370%0.698SS**Hα-helixtrans-50.4-33.8177.6-66.4-179.2178179.30112.6L143K139-L143 PolarHBondContact O-N 2.82Å
140Q83.8Confident68.7Low142 Ų142129.9 Ų129.966%0.66470%0.7SS**Hα-helixtrans-69.9-40.9176.3-168.5177.86.300111.8S138 T142 L143 L144S138-Q140 PolarHBondContact O-N 2.88Å; S138-Q140 PolarHBondContact OG-N 3.12Å; Q140-T142 VanDerWaalsContact C-N 3.31Å; Q140-T142 PolarHBondContact O-N 2.66Å; Q140-L143 PolarHBondContact O-N 3.14Å; Q140-L144 HydrophobicContact CG-CD1 3.87Å; Q140-L144 WeakPolarHBondContact O-CD1 2.93Å; Q140-L144 PolarHBondContact O-N 3.1Å
141A81.1Confident69.4Low47 Ų47127.3 Ų127.339%0.38870%0.695SS.*Hα-helixtrans-64.9-36176.900000111.9S138 L143 L144 A145S138-A141 WeakPolarHBondContact O-CA 2.93Å; S138-A141 WeakPolarHBondContact O-CB 3.29Å; S138-A141 PolarHBondContact O-N 2.79Å; A141-L143 VanDerWaalsContact C-N 3.34Å; A141-L144 PolarHBondContact O-N 3.25Å; A141-A145 WeakPolarHBondContact O-CB 3.49Å; A141-A145 PolarHBondContact O-N 3.35Å
142T80.6Confident70.3Confident85 Ų85128.9 Ų128.952%0.52170%0.695SS.*Hα-helixtrans-63.4-39.2173.7-48.70000112S138 Q140S138-T142 PolarHBondContact O-N 3.27Å; S138-T142 VanDerWaalsContact O-N 3.1Å; S138-T142 PolarHBondContact O-OG1 3.42Å; Q140-T142 VanDerWaalsContact C-N 3.31Å; Q140-T142 PolarHBondContact O-N 2.66Å
143L79.6Confident70.7Confident143 Ų143131.3 Ų131.375%0.74970%0.695SS**Hα-helixtrans-67.8-40.9177.7-141.280.6000112K139 Q140 A141K139-L143 PolarHBondContact O-N 2.82Å; Q140-L143 PolarHBondContact O-N 3.14Å; A141-L143 VanDerWaalsContact C-N 3.34Å
144L82.2Confident70.8Confident99 Ų99129.9 Ų129.952%0.51870%0.697SS.*Hα-helixtrans-73.2-30.5178.1-84.485.9000113.1Q140 A141 G146 A147Q140-L144 HydrophobicContact CG-CD1 3.87Å; Q140-L144 WeakPolarHBondContact O-CD1 2.93Å; Q140-L144 PolarHBondContact O-N 3.1Å; A141-L144 PolarHBondContact O-N 3.25Å; L144-G146 PolarHBondContact O-N 2.92Å; L144-A147 PolarHBondContact O-N 3.16Å; L144-A147 VanDerWaalsContact O-N 3.12Å
145A75.4Confident70.8Confident72 Ų72132 Ų13260%0.59570%0.702SS**Hα-helixtrans-61.7-28.8-179.900000113A141A141-A145 WeakPolarHBondContact O-CB 3.49Å; A141-A145 PolarHBondContact O-N 3.35Å
146G72Confident70.4Confident53 Ų53131.7 Ų131.755%0.54670%0.7SS.*Hα-helixtrans-85.2-21.8175.300000114.8L144L144-G146 PolarHBondContact O-N 2.92Å
147A74.7Confident70.1Confident82 Ų82131.1 Ų131.168%0.67870%0.699SS**Hα-helixtrans-78.4-27.1-173.500000113.3L144L144-A147 PolarHBondContact O-N 3.16Å; L144-A147 VanDerWaalsContact O-N 3.12Å
148I70.3Confident68.8Low125 Ų125130.7 Ų130.764%0.64171%0.706SS**  trans-106.677-179.1-50.2177.8000109.8R150I148-R150 HydrophobicContact CG2-CG 4.09Å; I148-R150 PolarHBondContact O-N 3.01Å; I148-R150 VanDerWaalsContact O-N 3.15Å
149R71Confident67.5Low229 Ų229138.6 Ų138.686%0.86472%0.724SS**  trans-80.291.2167.3-67.2-179.568.9-151.12.5109.1K151R149-K151 PolarHBondContact O-N 3.2Å; R149-K151 VanDerWaalsContact O-N 3.07Å
150R71.8Confident65.8Low215 Ų215136.3 Ų136.381%0.81172%0.721SS**  trans-67.4104.9165.6-67.6-172.3-62.6165.22.3108.4I148 V152I148-R150 HydrophobicContact CG2-CG 4.09Å; I148-R150 PolarHBondContact O-N 3.01Å; I148-R150 VanDerWaalsContact O-N 3.15Å; R150-V152 PolarHBondContact O-N 3.15Å
151K65.3Low64Low191 Ų191138.7 Ų138.783%0.8373%0.729SS**  trans-7094168.4-173.4177.9164.4-162.30106.9R149R149-K151 PolarHBondContact O-N 3.2Å; R149-K151 VanDerWaalsContact O-N 3.07Å
152V66.5Low62.2Low127 Ų127140.9 Ų140.977%0.7774%0.742SS**  trans-82.7125.6168.9-178.30000107R150R150-V152 PolarHBondContact O-N 3.15Å
153D54.1Low60.7Low143 Ų143142.2 Ų142.277%0.76576%0.755SS**  trans-61.2148.2-177-66-61000113.3
154G49.6Very low58.9Low71 Ų71142.2 Ų142.273%0.73276%0.76SS**  trans96.483.1151.500000116.7
155Q54.6Low57.1Low194 Ų194141.5 Ų141.591%0.90777%0.769SS**  170121.7116.2-92.7-17911.800109.6P157Q155-P157 WeakPolarHBondContact O-CD 3.39Å
156K47.3Very low55.4Low206 Ų206143.7 Ų143.790%0.89678%0.775SS**  trans-64.2133.1173.1-61171.2177.8-179.10109.6
157P58.2Low54.2Low122 Ų122149.1 Ų149.179%0.79279%0.786SS**  trans-102.6105.514931.3-21.8000108.6Q155 R159Q155-P157 WeakPolarHBondContact O-CD 3.39Å; P157-R159 PolarHBondContact O-N 2.75Å
158V43.2Very low52.5Low129 Ų129152.3 Ų152.378%0.78279%0.787SS**  trans-61.8118.5155.3-113.20000107.3
159R56.1Low51.5Low242 Ų242154.2 Ų154.291%0.91379%0.793SS**  trans-150.2106.5153.3-133175.1-179-176-0.7111.1P157P157-R159 PolarHBondContact O-N 2.75Å
160N44.1Very low50.3Low146 Ų146148.1 Ų148.178%0.78179%0.791SS**  trans-54.9138.4166.4-44.3-32.5000109.3
161K46.5Very low48.8Very low191 Ų191143.8 Ų143.883%0.8379%0.794SS**  168.8121.2123.4-162.2107.7178.1174.20110.8
162S42.9Very low48Very low94 Ų94138.8 Ų138.866%0.65779%0.788SS**  trans44.6114.3143.165.40000120.1
163S50Low46.9Very low113 Ų113137.8 Ų137.879%0.7979%0.787SS**  158.594.6114.4470000108.2A165S163-A165 VanDerWaalsContact C-N 3.32Å; S163-A165 PolarHBondContact O-N 3.09Å
164V40.7Very low46.8Very low142 Ų142138.5 Ų138.586%0.86179%0.789SS**  trans-77.396.2159.7171.30000104.6
165A44.9Very low46.4Very low85 Ų85140.1 Ų140.170%0.70279%0.789SS**  trans-83.9107.5167.300000107.5S163S163-A165 VanDerWaalsContact C-N 3.32Å; S163-A165 PolarHBondContact O-N 3.09Å
166T38.9Very low46.2Very low118 Ų118137.9 Ų137.972%0.72479%0.789SS**  trans-75.4117.8159.4-57.40000107.3
167E47.8Very low46Very low167 Ų167135.9 Ų135.978%0.7879%0.788SS**  trans-141.3106.5162.9-68.4-168.8170.100105.5
168E39.6Very low45.5Very low148 Ų148133.6 Ų133.669%0.69279%0.787SS**  82.3144.569.5-70.5-108.5156.700112.8
169H48.9Very low45.9Very low165 Ų165136.7 Ų136.776%0.76479%0.79SS**  trans86.7125.6170.9-39.7-60000115.6
170A44.8Very low45.3Very low101 Ų101131.5 Ų131.584%0.83579%0.785SS**  cis-159.1151.423.200000113.5
171S40Very low45.4Very low124 Ų124129.3 Ų129.387%0.86778%0.781SS**  trans-70.5148.9175.1-36.70000114.6
172A49.3Very low44.8Very low87 Ų87126.1 Ų126.172%0.71978%0.782SS**  trans177.9105.8141.100000108.9
173S42.6Very low45.4Very low106 Ų106129.2 Ų129.274%0.74179%0.791SS**  53.3110.777.669.10000116
174I53.4Low45.3Very low158 Ų158132.1 Ų132.181%0.8179%0.792SS**  trans161.1102.1144-87.3156.2000108.3
175S40.6Very low45.6Very low105 Ų105129.3 Ų129.373%0.73478%0.777SS**  49.6113.794.6-80.90000115.6
176T50.7Low45.6Very low146 Ų146132 Ų13290%0.89678%0.784SS**  -178.1149.3125.5280000112
177D43.6Very low46.5Very low164 Ų164135.9 Ų135.988%0.87779%0.791SS**  trans-62.9155.2-163.1-58.2-86.4000118.5
178G46.1Very low46.3Very low75 Ų75134.7 Ų134.777%0.77379%0.79SS**  trans-179.535.4173.400000121.2
179K52.1Low46.9Very low194 Ų194134.3 Ų134.384%0.84379%0.792SS**  trans43.2134.3144.2-167.5146175.4173.20122.8
180T43.9Very low46.8Very low133 Ų133134.8 Ų134.882%0.81679%0.794SS**  trans99.4125.9162.265.20000115.5
181S45.5Very low46.7Very low99 Ų99134.7 Ų134.769%0.69279%0.794SS**  cis-162.5115.93.7171.30000108
182C35.3Very low46.7Very low125 Ų125132.5 Ų132.585%0.84579%0.791SS**  trans-100.9129.6169.7-62.20000109.1
183N55.7Low46.7Very low159 Ų159133 Ų13385%0.8579%0.789SS**  trans-104.9105164.4-73.5-28.6000109.1
184E46.8Very low47Very low173 Ų173135.7 Ų135.781%0.80879%0.789SS**  trans-73-173.4164.2-105.9-136.4134.500111.6
185P47.9Very low46.7Very low84 Ų84136.9 Ų136.955%0.54579%0.791SS.*  -136.1179.7-55.338.9-20.1000111.9
186V43.5Very low47.2Very low140 Ų140139.7 Ų139.785%0.84879%0.79SS**  trans-52.4134.1170.6-150.60000111.8
187K59.2Low47.1Very low200 Ų200140.7 Ų140.787%0.8778%0.784SS**  trans-116.5115.4163.5-73.7-173.6-178.4-179.90109.9
188D43.4Very low47.2Very low143 Ų143138.7 Ų138.777%0.76578%0.783SS**  trans-80.5160.6170.8-130.3-22.9000110.4
189L51.2Low47.4Very low140 Ų140140.1 Ų140.173%0.73378%0.781SS**  trans90.4126.7156.2-61156000121.9
190Q47.4Very low47.5Very low174 Ų174136.5 Ų136.581%0.81378%0.778SS**  trans80.7107.3144.4-71.9169.213.300117.9
191A41.8Very low47.8Very low100 Ų100139.6 Ų139.683%0.82678%0.783SS**  88.2121.669.400000112.9
192G40.8Very low48.2Very low78 Ų78144.3 Ų144.380%0.80479%0.791SS**  trans90145.317400000112.9
193S48.9Very low49.1Very low96 Ų96144.9 Ų144.967%0.67179%0.791SS**  cis178.3128.20.8156.20000104.6
194H50.1Low48.8Very low163 Ų163144.9 Ų144.976%0.75579%0.791SS**  trans42.9107.8148.6-52.9-56000119.5
195H45.9Very low49.3Very low184 Ų184141.9 Ų141.985%0.85279%0.789SS**  -142.9114.4129-117.357.6000111.2
196K51.1Low49.8Very low164 Ų164143.4 Ų143.471%0.71380%0.802SS**  trans-67.9151.4158.3-65.7-174.5175.7-172.50107.4
197H49.1Very low50.3Low167 Ų167142 Ų14277%0.77380%0.797SS**  144.2130.6110.4-53.1-71.7000100.7
198S46.1Very low50.4Low121 Ų121139.1 Ų139.185%0.84680%0.796SS**  cis-175.5135.441.6-174.20000106.3
199S50.8Low51.4Low106 Ų106137.8 Ų137.874%0.74180%0.796SS**  trans-81.7-169.7162-63.20000109.7
200P53.6Low51.1Low117 Ų117136.6 Ų136.676%0.7680%0.799SS**  -130.7158.9-69.436.4-21.5000111.1
201E49.9Very low51.6Low199 Ų199133.5 Ų133.593%0.9380%0.797SS**  trans-139139.3156.4-88.2-159.9124.300112.9
202K53.2Low52.1Low198 Ų198137.6 Ų137.686%0.86180%0.799SS**  trans-83136.3-174.5-60171.7176.1-178.50108.8
203T55Low52.9Low137 Ų137139.8 Ų139.884%0.8479%0.792SS**  trans-134.5100.9155.852.40000108.4
204D49.8Very low53.3Low159 Ų159143.5 Ų143.585%0.8580%0.796SS**  trans-61.1123.6154.3-88.5-46.3000108.2
205S57.3Low53.3Low109 Ų109140.7 Ų140.776%0.76280%0.795SS**  trans-161.6106.4155.6-79.90000110.7
206S57.8Low53.6Low117 Ų117138.6 Ų138.682%0.81879%0.79SS**  trans26.3123.4138.768.70000118.9
207S54.5Low53.6Low109 Ų109139 Ų13976%0.76280%0.799SS**  161.1109.7103.6-162.60000109.5
208V60.8Low53.7Low140 Ų140139.2 Ų139.285%0.84880%0.8SS**  trans-79.6132.3165.3-100.30000109.1
209P65Low54Low116 Ų116142.1 Ų142.175%0.75380%0.798SS**  trans-109.2111.5143.330.9-23.8000109.4S211P209-S211 PolarHBondContact O-N 2.89Å
210S43.5Very low54.8Low115 Ų115142.9 Ų142.980%0.80480%0.801SS**  trans-64.3116.4158-178.90000108.2
211S59.3Low55Low109 Ų109147.5 Ų147.576%0.76280%0.804SS**  trans-137.5104.916260.70000108.6P209P209-S211 PolarHBondContact O-N 2.89Å
212E52Low55Low185 Ų185143.4 Ų143.486%0.86480%0.798SS**  trans-52.8130.7166.3-57.3164.913800109.1
213D57.3Low55.2Low125 Ų125141.2 Ų141.267%0.66880%0.796SS**  trans-151.9122.7160.1-142.9-3.2000111.7
214K56.5Low55Low173 Ų173143.6 Ų143.675%0.75280%0.797SS**  trans75.778.2157.9-69143.5-173.6156.80119
215S50.4Low55.2Low104 Ų104139.7 Ų139.773%0.72779%0.786SS**  -56159.713048.40000111.8
216D52.4Low54.8Low140 Ų140141.6 Ų141.675%0.74979%0.788SS**  trans94.260.7174.1-60-18.6000117.3Q218D216-Q218 VanDerWaalsContact C-N 3.34Å; D216-Q218 PolarHBondContact O-N 2.58Å
217L51.3Low54.8Low173 Ų173142.6 Ų142.691%0.90679%0.789SS**  trans-86.987.5142.2-76.9176.2000108.9F219L217-F219 PolarHBondContact O-N 3.07Å
218Q51.9Low54.4Low171 Ų171146.5 Ų146.580%0.79980%0.795SS**  trans-66.4111.2170.9-168.41640.900109.2D216 P220D216-Q218 VanDerWaalsContact C-N 3.34Å; D216-Q218 PolarHBondContact O-N 2.58Å; Q218-P220 VanDerWaalsContact O-CD 3.31Å; Q218-P220 WeakPolarHBondContact O-CD 3.11Å
219F51.1Low54.1Low183 Ų183144.8 Ų144.880%0.80379%0.789SS**  trans-59.6121.4164.5-77.1-93.5000109.3L217 Y221L217-F219 PolarHBondContact O-N 3.07Å; F219-Y221 PolarHBondContact O-N 2.87Å
220P68.9Low53.3Low122 Ų122143.9 Ų143.979%0.79279%0.786SS**  trans-82.4105.2159.430.6-24.1000107.4Q218 S222Q218-P220 VanDerWaalsContact O-CD 3.31Å; Q218-P220 WeakPolarHBondContact O-CD 3.11Å; P220-S222 PolarHBondContact O-N 2.75Å
221Y56.3Low54.1Low213 Ų213149.6 Ų149.684%0.83579%0.79SS**  trans-50.7130.8162-99.2-96.8000109.6F219 N223F219-Y221 PolarHBondContact O-N 2.87Å; Y221-N223 PolarHBondContact O-N 3.24Å; Y221-N223 VanDerWaalsContact O-N 3.1Å
222S50.5Low53.9Low113 Ų113151.7 Ų151.779%0.7979%0.792SS**  trans-52.8106.3173.4-161.30000110.8P220P220-S222 PolarHBondContact O-N 2.75Å
223N57.9Low53.9Low153 Ų153149.8 Ų149.882%0.81879%0.788SS**  trans-114.186.8165.8-83.7-25.3000107.8Y221 A225Y221-N223 PolarHBondContact O-N 3.24Å; Y221-N223 VanDerWaalsContact O-N 3.1Å; N223-A225 PolarHBondContact O-N 2.89Å
224H49.7Very low53.9Low186 Ų186155.6 Ų155.686%0.86180%0.8SS**  trans-88.282.3165.2-173.2-68000107.9
225A55Low53.5Low77 Ų77150.8 Ų150.864%0.63680%0.801SS**  trans-113.6118172.800000109.8N223N223-A225 PolarHBondContact O-N 2.89Å
226D48Very low53.9Low149 Ų149158.2 Ų158.280%0.79781%0.812SS**  trans30.4107.5150.8-57-52.2000119.7
227V57.8Low54.5Low138 Ų138160.7 Ų160.784%0.83682%0.817SS**  trans-125.1103.3144.1161.40000108.3S229V227-S229 PolarHBondContact O-N 3.21Å
228E47.1Very low55.1Low192 Ų192163.7 Ų163.790%0.89782%0.816SS**  trans-55.4119.9154.6-75174.6105.500109.2
229S53.8Low56Low104 Ų104161.4 Ų161.473%0.72782%0.816SS**  trans-134.685.2151.9-152.10000109.5V227 R231V227-S229 PolarHBondContact O-N 3.21Å; S229-R231 PolarHBondContact O-N 2.79Å
230S49.2Very low56.6Low96 Ų96160.7 Ų160.767%0.67182%0.819SS**  trans-38.3119.8156.8-173.10000111.7
231R59.4Low56.6Low236 Ų236163.9 Ų163.989%0.89182%0.824SS**  trans-156.180.2155.5-105.9160.4-166-167.65110.6S229 D233S229-R231 PolarHBondContact O-N 2.79Å; R231-D233 PolarHBondContact O-N 2.59Å
232N55.2Low57.4Low153 Ų153159.3 Ų159.382%0.81882%0.82SS**  trans-0.998.3152.4-59.93.8000116.6
233D52.9Low58Low145 Ų145162.5 Ų162.578%0.77582%0.822SS**  trans-112.8105.6153.6-177.339.6000107.3R231R231-D233 PolarHBondContact O-N 2.59Å
234R55.7Low57.9Low246 Ų246159.4 Ų159.493%0.92881%0.813SS**SBendtrans161.5105.4161.2-87.8153.9-160.1-171.17.2109.4
235G49.8Very low58.7Low73 Ų73158 Ų15875%0.75381%0.812SS**  trans106.361.1155.100000116.8K237G235-K237 VanDerWaalsContact C-N 3.34Å; G235-K237 PolarHBondContact O-N 2.69Å; G235-K237 VanDerWaalsContact O-N 3.11Å
236R58.8Low59.3Low259 Ų259159.8 Ų159.898%0.97782%0.817SS**  trans-76.393.3152.8-80-168179.2-130.41.5109.2R238R236-R238 PolarHBondContact O-N 2.81Å
237K64Low60.2Low192 Ų192158.8 Ų158.884%0.83582%0.816SS**PPolyproline II helixtrans-56.6128.7159-73.9-90.8-176172.10108.5G235 P239G235-K237 VanDerWaalsContact C-N 3.34Å; G235-K237 PolarHBondContact O-N 2.69Å; G235-K237 VanDerWaalsContact O-N 3.11Å; K237-P239 VanDerWaalsContact O-CD 3.32Å; K237-P239 WeakPolarHBondContact O-CD 3.5Å
238R64.6Low60.7Low237 Ų237161.1 Ų161.189%0.89482%0.818SS**PPolyproline II helixtrans-54.5120.4170.7-141.6-179.5-71-168.4-2.9109.4R236R236-R238 PolarHBondContact O-N 2.81Å
239P70.1Confident62Low122 Ų122156.2 Ų156.279%0.79281%0.81SS**PPolyproline II helixtrans-72.3132.8165.5-20.335.2000110.1K237K237-P239 VanDerWaalsContact O-CD 3.32Å; K237-P239 WeakPolarHBondContact O-CD 3.5Å
240L63.3Low62.7Low168 Ų168157.1 Ų157.188%0.8881%0.814SS**PPolyproline II helixtrans-72.3127.8177.1-72151.2000109.3P242L240-P242 WeakPolarHBondContact O-CD 3.38Å
241E70.3Confident63.6Low189 Ų189162.6 Ų162.688%0.88383%0.825SS**PPolyproline II helixtrans-71.3126.8164.5-69.5-92.2129.400109.1
242P72.7Confident63.9Low117 Ų117166.7 Ų166.776%0.7684%0.84SS**PPolyproline II helixtrans-92.611816231.2-26.7000111.6L240L240-P242 WeakPolarHBondContact O-CD 3.38Å
243E62.8Low64.4Low180 Ų180167.4 Ų167.484%0.84184%0.842SS**  trans23.4119.9138.8-92-178144.800120.6
244S55.2Low65Low88 Ų88168.5 Ų168.562%0.61585%0.845SS**  35.4122.1126.353.20000120.4
245D67.9Low65.5Low156 Ų156164.2 Ų164.283%0.83484%0.84SS**  -163.1141115.5-91.7-27.1000111.8
246P66Low66.4Low116 Ų116169.6 Ų169.675%0.75385%0.846SS**  trans-102.1130.6-177.236-26.8000112
247V67Low66.9Low127 Ų127164 Ų16477%0.7784%0.837SS**  trans-141.3105.8168.3-1760000111.5
248E69.3Low67.1Low188 Ų188162.1 Ų162.188%0.87984%0.838SS**  trans80.5131.2132.9-150.8167.4-17800121
249A73.6Confident67.2Low89 Ų89156.8 Ų156.874%0.73683%0.834SS**  trans-90.3-177.4-169.200000112
250P68.8Low67Low123 Ų123159.5 Ų159.580%0.79984%0.837SS**  trans-100.2160.8-141.940.1-38.4000115.6
251K69.1Low67.3Low210 Ų210158.8 Ų158.891%0.91383%0.833SS**  trans-114100.8163.5-84.6177.9176.9171.70110.5
252R65.4Low67.1Low322 Ų322156 Ų156100%1.21583%0.829SS**  trans178.10131-103.1-179174.8-167.2-1.2110.9

Retrieved 252 of 252 residues in 153.2 ms (Link to these results)