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Transcriptional repressor p66-beta

Transcriptional repressor1,2. Acts as a component of the histone deacetylase NuRD complex which participates in the remodeling of chromatin3,4. Enhances MBD2-mediated repression5,6. Efficient repression requires the presence of GATAD2A7. Targets MBD3 to discrete loci in the nucleus8. May play a role in synapse development9.

AlphaFold DB , UniProt , Accession Q8WXI9, Species HUMAN (Homo sapiens, Human), Gene GATAD2B, Length 593 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
1M51.2Low65.6Low186 Ų186127.5 Ų127.592%0.91663%0.626SS**  011.10-64.2173.9-171.500112.2R3 M4M1-R3 PolarHBondContact O-N 3.21Å; M1-M4 PolarHBondContact O-N 3.49Å
2D55Low65.9Low128 Ų128125.2 Ų125.268%0.68462%0.618SS**Hα-helixtrans-84.1-25.6-139.8-49.4-88.3000112.9M4 T5 E6D2-M4 VanDerWaalsContact C-N 3.3Å; D2-M4 PolarHBondContact O-N 3.45Å; D2-T5 WeakPolarHBondContact O-CA 3.15Å; D2-T5 VanDerWaalsContact O-CB 3.29Å; D2-T5 WeakPolarHBondContact O-CB 3.48Å; D2-T5 PolarHBondContact O-N 3.15Å; D2-E6 PolarHBondContact O-N 3.28Å
3R57.4Low66Low202 Ų202125.2 Ų125.276%0.76262%0.621SS**Hα-helixtrans-58.9-37.4171-72.8-172.462.8163.9-0.6113.1M1 T5 E6 D7M1-R3 PolarHBondContact O-N 3.21Å; R3-T5 VanDerWaalsContact C-N 3.29Å; R3-T5 PolarHBondContact O-N 3.46Å; R3-E6 PolarHBondContact O-N 3.14Å; R3-D7 PolarHBondContact O-N 3.19Å
4M60.3Low65.9Low148 Ų148124.4 Ų124.473%0.72962%0.619SS**Hα-helixtrans-67.6-32175.2-80-172.2-81.900111.9M1 D2 A8M1-M4 PolarHBondContact O-N 3.49Å; D2-M4 VanDerWaalsContact C-N 3.3Å; D2-M4 PolarHBondContact O-N 3.45Å; M4-A8 VanDerWaalsContact O-CB 3.24Å; M4-A8 WeakPolarHBondContact O-CB 3.25Å; M4-A8 PolarHBondContact O-N 3.18Å; M4-A8 VanDerWaalsContact O-N 3.08Å
5T73.7Confident65.7Low79 Ų79126.4 Ų126.449%0.48562%0.623SS.*Hα-helixtrans-67.7-41.7174.1-40.30000111.2D2 R3 A8 L9D2-T5 WeakPolarHBondContact O-CA 3.15Å; D2-T5 VanDerWaalsContact O-CB 3.29Å; D2-T5 WeakPolarHBondContact O-CB 3.48Å; D2-T5 PolarHBondContact O-N 3.15Å; R3-T5 VanDerWaalsContact C-N 3.29Å; R3-T5 PolarHBondContact O-N 3.46Å; T5-A8 PolarHBondContact O-N 3.39Å; T5-L9 HydrophobicContact CG2-CD1 4.41Å; T5-L9 WeakPolarHBondContact O-CB 3.46Å; T5-L9 VanDerWaalsContact O-CG 3.32Å; T5-L9 WeakPolarHBondContact O-CG 3.49Å; T5-L9 PolarHBondContact O-N 3.14Å
6E70.6Confident65.3Low119 Ų119128.9 Ų128.956%0.55662%0.623SS**Hα-helixtrans-67.7-45.1-179.6-159.5-178.314500112.1D2 R3 A8 L9 R10D2-E6 PolarHBondContact O-N 3.28Å; R3-E6 PolarHBondContact O-N 3.14Å; E6-A8 PolarHBondContact O-N 2.89Å; E6-L9 PolarHBondContact O-N 3.05Å; E6-R10 WeakPolarHBondContact O-CG 3.38Å; E6-R10 PolarHBondContact O-N 3.26Å
7D71.5Confident64.5Low97 Ų97126.9 Ų126.952%0.51963%0.625SS.*Hα-helixtrans-63.7-39174.2-76.8-41.8000111.9R3 L9 R10 L11R3-D7 PolarHBondContact O-N 3.19Å; D7-L9 VanDerWaalsContact C-N 3.32Å; D7-L9 PolarHBondContact O-N 3Å; D7-R10 PolarHBondContact O-N 3.49Å; D7-L11 WeakPolarHBondContact O-CB 3.43Å; D7-L11 PolarHBondContact O-N 3.37Å
8A72.6Confident64.1Low48 Ų48128.1 Ų128.140%0.39763%0.634SS.*Hα-helixtrans-64.7-33.2174.200000113M4 T5 E6 N12M4-A8 VanDerWaalsContact O-CB 3.24Å; M4-A8 WeakPolarHBondContact O-CB 3.25Å; M4-A8 PolarHBondContact O-N 3.18Å; M4-A8 VanDerWaalsContact O-N 3.08Å; T5-A8 PolarHBondContact O-N 3.39Å; E6-A8 PolarHBondContact O-N 2.89Å; A8-N12 PolarHBondContact O-N 3.16Å; A8-N12 PolarHBondContact O-ND2 3.38Å
9L67.9Low63.4Low115 Ų115126.1 Ų126.160%0.60263%0.626SS**Hα-helixtrans-71.5-43.2173.5-75.9167000111.8T5 E6 D7 L11 N12 L13T5-L9 HydrophobicContact CG2-CD1 4.41Å; T5-L9 WeakPolarHBondContact O-CB 3.46Å; T5-L9 VanDerWaalsContact O-CG 3.32Å; T5-L9 WeakPolarHBondContact O-CG 3.49Å; T5-L9 PolarHBondContact O-N 3.14Å; E6-L9 PolarHBondContact O-N 3.05Å; D7-L9 VanDerWaalsContact C-N 3.32Å; D7-L9 PolarHBondContact O-N 3Å; L9-L11 VanDerWaalsContact C-N 3.31Å; L9-L11 PolarHBondContact O-N 3.39Å; L9-N12 PolarHBondContact O-N 2.96Å; L9-L13 PolarHBondContact O-N 2.69Å
10R70.9Confident62.8Low161 Ų161123.7 Ų123.761%0.60862%0.62SS**Hα-helixtrans-58.9-43.3172.8-68.5-17978.2110.71111.3E6 D7 L13 L14E6-R10 WeakPolarHBondContact O-CG 3.38Å; E6-R10 PolarHBondContact O-N 3.26Å; D7-R10 PolarHBondContact O-N 3.49Å; R10-L13 PolarHBondContact O-N 3.05Å; R10-L14 WeakPolarHBondContact O-CB 3.25Å; R10-L14 WeakPolarHBondContact O-CG 3.38Å; R10-L14 PolarHBondContact O-N 3.26Å
11L70.8Confident62.4Low120 Ų120121.7 Ų121.763%0.62862%0.622SS**Hα-helixtrans-65.6-38.4178.4-159.875000112.2D7 L9 K15D7-L11 WeakPolarHBondContact O-CB 3.43Å; D7-L11 PolarHBondContact O-N 3.37Å; L9-L11 VanDerWaalsContact C-N 3.31Å; L9-L11 PolarHBondContact O-N 3.39Å; L11-K15 VanDerWaalsContact O-CB 3.28Å; L11-K15 WeakPolarHBondContact O-CB 3.5Å; L11-K15 PolarHBondContact O-N 2.95Å
12N68.5Low62.7Low99 Ų99119.5 Ų119.553%0.52961%0.614SS.*Hα-helixtrans-65.7-39173-90.8-87000112.6A8 L9 K15 R16A8-N12 PolarHBondContact O-N 3.16Å; A8-N12 PolarHBondContact O-ND2 3.38Å; L9-N12 PolarHBondContact O-N 2.96Å; N12-K15 PolarHBondContact O-N 2.83Å; N12-R16 WeakPolarHBondContact O-CB 3.39Å; N12-R16 WeakPolarHBondContact O-CG 3.32Å; N12-R16 PolarHBondContact O-N 2.89Å
13L67.3Low62.8Low126 Ų126120 Ų12066%0.6661%0.613SS**Hα-helixtrans-67.7-43.3178.7-161.268.8000111.2L9 R10 R16 S17L9-L13 PolarHBondContact O-N 2.69Å; R10-L13 PolarHBondContact O-N 3.05Å; L13-R16 CarbonylContact O-C 3.59Å; L13-R16 PolarHBondContact O-N 2.79Å; L13-S17 PolarHBondContact O-N 3.33Å
14L64.9Low63Low113 Ų113115.4 Ų115.459%0.59260%0.595SS**Hα-helixtrans-60.8-44.5171.8-76.9163.3000112.2R10 R16 S17R10-L14 WeakPolarHBondContact O-CB 3.25Å; R10-L14 WeakPolarHBondContact O-CG 3.38Å; R10-L14 PolarHBondContact O-N 3.26Å; L14-R16 VanDerWaalsContact C-N 3.27Å; L14-R16 PolarHBondContact O-N 3.42Å; L14-S17 WeakPolarHBondContact O-CB 3.15Å; L14-S17 PolarHBondContact O-N 2.8Å
15K63.4Low63.4Low155 Ų155113.8 Ų113.867%0.67459%0.59SS**Hα-helixtrans-63.1-34.7178-164.5169.1-175.5176.20112L11 N12 S17 L18L11-K15 VanDerWaalsContact O-CB 3.28Å; L11-K15 WeakPolarHBondContact O-CB 3.5Å; L11-K15 PolarHBondContact O-N 2.95Å; N12-K15 PolarHBondContact O-N 2.83Å; K15-S17 PolarHBondContact O-N 2.83Å; K15-L18 PolarHBondContact O-N 2.93Å
16R58.4Low63.5Low166 Ų166113.9 Ų113.963%0.62659%0.587SS**THydrogen-bonded Turntrans-74.84.5171.2-73.6176.763.3141.3-1114.7N12 L13 L14 R24N12-R16 WeakPolarHBondContact O-CB 3.39Å; N12-R16 WeakPolarHBondContact O-CG 3.32Å; N12-R16 PolarHBondContact O-N 2.89Å; L13-R16 CarbonylContact O-C 3.59Å; L13-R16 PolarHBondContact O-N 2.79Å; L14-R16 VanDerWaalsContact C-N 3.27Å; L14-R16 PolarHBondContact O-N 3.42Å; R16-R24 PolarHBondContact O-NH1 2.81Å
17S52.7Low63.8Low95 Ų95112.6 Ų112.666%0.66459%0.588SS**THydrogen-bonded Turntrans-105.11.6168.3-68.90000113.3L13 L14 K15L13-S17 PolarHBondContact O-N 3.33Å; L14-S17 WeakPolarHBondContact O-CB 3.15Å; L14-S17 PolarHBondContact O-N 2.8Å; K15-S17 PolarHBondContact O-N 2.83Å
18L55.8Low63.9Low148 Ų148112.4 Ų112.478%0.77559%0.586SS**SBendtrans-106.6-6.6-177.7-64174.7000114.4K15K15-L18 PolarHBondContact O-N 2.93Å
19D52.3Low64.3Low90 Ų90112.5 Ų112.548%0.48159%0.586SS.*SBendtrans-65.3140.7166.6-72.2-63.2000110.6A21 R24D19-A21 PolarHBondContact O-N 3.38Å; D19-R24 HydrophobicContact CB-CG 4.35Å; D19-R24 IonicContact OD2-NH1 3.01Å
20P51.6Low65.1Low78 Ų78112.8 Ų112.851%0.50658%0.583SS.*  trans-59.9128.5174.326.3-33.7000110.3D22 E23P20-D22 PolarHBondContact O-N 3.36Å; P20-E23 HydrophobicContact CG-CB 4.39Å
21A53.6Low65.8Low82 Ų82113.4 Ų113.468%0.67859%0.585SS**Hα-helixtrans-60.8-34-173.700000113.1D19 R24 D25D19-A21 PolarHBondContact O-N 3.38Å; A21-R24 PolarHBondContact O-N 3.48Å; A21-D25 PolarHBondContact O-N 2.93Å; A21-D25 VanDerWaalsContact O-N 3.11Å
22D56.4Low66.4Low140 Ų140113 Ų11375%0.74958%0.583SS**Hα-helixtrans-59.4-53-176.4-154-114.5000112.5P20 R24 D25 D26P20-D22 PolarHBondContact O-N 3.36Å; D22-R24 PolarHBondContact O-N 3.5Å; D22-D25 PolarHBondContact O-N 2.97Å; D22-D26 PolarHBondContact O-N 2.9Å; D22-D26 VanDerWaalsContact O-N 3.08Å
23E59Low67.4Low138 Ų138116.2 Ų116.265%0.64559%0.592SS**Hα-helixtrans-64.4-30.6-177.9-161.2178.4132.300112.1P20 V27P20-E23 HydrophobicContact CG-CB 4.39Å; E23-V27 WeakPolarHBondContact O-CG2 3.22Å; E23-V27 PolarHBondContact O-N 3.01Å; E23-V27 VanDerWaalsContact O-N 3.11Å
24R60.8Low68.2Low106 Ų106117.2 Ų117.240%0.460%0.596SS.*Hα-helixtrans-73.9-38.6176.8-74.3177.951.8172.1-12.3113.1R16 D19 A21 D22 D26 L28R16-R24 PolarHBondContact O-NH1 2.81Å; D19-R24 HydrophobicContact CB-CG 4.35Å; D19-R24 IonicContact OD2-NH1 3.01Å; A21-R24 PolarHBondContact O-N 3.48Å; D22-R24 PolarHBondContact O-N 3.5Å; R24-D26 VanDerWaalsContact C-N 3.34Å; R24-L28 WeakPolarHBondContact O-CB 3.36Å; R24-L28 VanDerWaalsContact O-CG 3.28Å; R24-L28 WeakPolarHBondContact O-CG 3.49Å; R24-L28 PolarHBondContact O-N 3.4Å
25D69.2Low69.2Low115 Ų115117.2 Ų117.262%0.61559%0.592SS**Hα-helixtrans-68.4-38.7176.2-137.1-87.7000110.5A21 D22 L28 A29A21-D25 PolarHBondContact O-N 2.93Å; A21-D25 VanDerWaalsContact O-N 3.11Å; D22-D25 PolarHBondContact O-N 2.97Å; D25-L28 CarbonylContact O-C 3.51Å; D25-L28 PolarHBondContact O-N 3.47Å; D25-A29 VanDerWaalsContact O-CB 3.29Å; D25-A29 WeakPolarHBondContact O-CB 3.33Å; D25-A29 PolarHBondContact O-N 3.37Å
26D75.1Confident70.4Confident81 Ų81111.5 Ų111.543%0.43358%0.578SS.*Hα-helixtrans-65.1-41.3177-159.9-16.1000112.5D22 R24 A29 K30D22-D26 PolarHBondContact O-N 2.9Å; D22-D26 VanDerWaalsContact O-N 3.08Å; R24-D26 VanDerWaalsContact C-N 3.34Å; D26-A29 PolarHBondContact O-N 3.44Å; D26-K30 WeakPolarHBondContact O-CB 3.35Å; D26-K30 VanDerWaalsContact O-CG 3.31Å; D26-K30 WeakPolarHBondContact O-CG 3.47Å; D26-K30 PolarHBondContact O-N 2.83Å; D26-K30 VanDerWaalsContact OD1-CE 3.31Å; D26-K30 WeakPolarHBondContact OD1-CE 3.3Å; D26-K30 IonicContact OD1-NZ 3.1Å; D26-K30 PolarHBondContact OD1-NZ 3.48Å; D26-K30 IonicContact OD2-NZ 2.68Å; D26-K30 PolarHBondContact OD2-NZ 2.99Å
27V76.3Confident72Confident92 Ų92109.4 Ų109.456%0.55858%0.575SS**Hα-helixtrans-63.5-40.4171.6171.10000112E23 R31E23-V27 WeakPolarHBondContact O-CG2 3.22Å; E23-V27 PolarHBondContact O-N 3.01Å; E23-V27 VanDerWaalsContact O-N 3.11Å; V27-R31 PolarHBondContact O-N 2.95Å
28L75Confident73.8Confident93 Ų93109.7 Ų109.749%0.48757%0.566SS.*Hα-helixtrans-66.7-41.1176-73.4170.2000111.9R24 D25 R31 L32R24-L28 WeakPolarHBondContact O-CB 3.36Å; R24-L28 VanDerWaalsContact O-CG 3.28Å; R24-L28 WeakPolarHBondContact O-CG 3.49Å; R24-L28 PolarHBondContact O-N 3.4Å; D25-L28 CarbonylContact O-C 3.51Å; D25-L28 PolarHBondContact O-N 3.47Å; L28-R31 PolarHBondContact O-N 2.97Å; L28-L32 WeakPolarHBondContact O-CB 3.37Å; L28-L32 WeakPolarHBondContact O-CG 3.3Å; L28-L32 PolarHBondContact O-N 3.41Å
29A79.9Confident75.4Confident49 Ų49103.9 Ų103.941%0.40554%0.539SS..Hα-helixtrans-64.1-43176.600000111.7D25 D26 L32 K33D25-A29 VanDerWaalsContact O-CB 3.29Å; D25-A29 WeakPolarHBondContact O-CB 3.33Å; D25-A29 PolarHBondContact O-N 3.37Å; D26-A29 PolarHBondContact O-N 3.44Å; A29-L32 PolarHBondContact O-N 3.34Å; A29-K33 VanDerWaalsContact O-CB 3.29Å; A29-K33 WeakPolarHBondContact O-CB 3.35Å; A29-K33 PolarHBondContact O-N 2.93Å
30K85.4Confident77.1Confident121 Ų121105.7 Ų105.753%0.52655%0.546SS..Hα-helixtrans-59.2-44.9172.1-76.2164.6174.4124.60111.3D26 K33 M34D26-K30 WeakPolarHBondContact O-CB 3.35Å; D26-K30 VanDerWaalsContact O-CG 3.31Å; D26-K30 WeakPolarHBondContact O-CG 3.47Å; D26-K30 PolarHBondContact O-N 2.83Å; D26-K30 VanDerWaalsContact OD1-CE 3.31Å; D26-K30 WeakPolarHBondContact OD1-CE 3.3Å; D26-K30 IonicContact OD1-NZ 3.1Å; D26-K30 PolarHBondContact OD1-NZ 3.48Å; D26-K30 IonicContact OD2-NZ 2.68Å; D26-K30 PolarHBondContact OD2-NZ 2.99Å; K30-K33 PolarHBondContact O-N 3.24Å; K30-M34 WeakPolarHBondContact O-CG 3.37Å; K30-M34 PolarHBondContact O-N 3.46Å; K30-M34 VanDerWaalsContact O-N 3.08Å
31R85.8Confident78.9Confident174 Ų174105.8 Ų105.866%0.65754%0.54SS*.Hα-helixtrans-63.6-49176.5-172.8176.5178.7173.52.4112.5V27 L28 K33 M34 E35V27-R31 PolarHBondContact O-N 2.95Å; L28-R31 PolarHBondContact O-N 2.97Å; R31-K33 PolarHBondContact O-N 3.48Å; R31-M34 WeakPolarHBondContact O-CB 3.27Å; R31-M34 PolarHBondContact O-N 3.32Å; R31-M34 VanDerWaalsContact O-N 3.17Å; R31-E35 WeakPolarHBondContact O-CB 3.34Å; R31-E35 PolarHBondContact O-N 2.96Å
32L83.5Confident80.8Confident112 Ų112109.3 Ų109.359%0.58654%0.536SS*.Hα-helixtrans-60.6-29.8176.4-82.1159.9000112.9L28 A29 G36L28-L32 WeakPolarHBondContact O-CB 3.37Å; L28-L32 WeakPolarHBondContact O-CG 3.3Å; L28-L32 PolarHBondContact O-N 3.41Å; A29-L32 PolarHBondContact O-N 3.34Å; L32-G36 PolarHBondContact O-N 2.84Å
33K88.3Confident82.4Confident166 Ų166107.6 Ų107.672%0.72253%0.526SS*.Hα-helixtrans-74-40175.5-163.6176-176.1179.90112.2A29 K30 R31 H37A29-K33 VanDerWaalsContact O-CB 3.29Å; A29-K33 WeakPolarHBondContact O-CB 3.35Å; A29-K33 PolarHBondContact O-N 2.93Å; K30-K33 PolarHBondContact O-N 3.24Å; R31-K33 PolarHBondContact O-N 3.48Å; K33-H37 PolarHBondContact O-N 2.97Å; K33-H37 VanDerWaalsContact O-N 3.17Å
34M85.8Confident84Confident148 Ų148106.5 Ų106.573%0.72952%0.519SS*.Hα-helixtrans-63.3-53.3172.4-69.4-80.3-74.800111.3K30 R31 G36 H37 E38K30-M34 WeakPolarHBondContact O-CG 3.37Å; K30-M34 PolarHBondContact O-N 3.46Å; K30-M34 VanDerWaalsContact O-N 3.08Å; R31-M34 WeakPolarHBondContact O-CB 3.27Å; R31-M34 PolarHBondContact O-N 3.32Å; R31-M34 VanDerWaalsContact O-N 3.17Å; M34-G36 VanDerWaalsContact C-N 3.33Å; M34-G36 PolarHBondContact O-N 3.13Å; M34-H37 WeakPolarHBondContact O-CB 3.29Å; M34-H37 PolarHBondContact O-N 3.01Å; M34-E38 PolarHBondContact O-N 3.38Å
35E86Confident85.4Confident112 Ų112106.4 Ų106.452%0.52352%0.524SS..Hα-helixtrans-63.6-38.4-178.3-170.7169.4173.100111.9R31 H37 E38 A39R31-E35 WeakPolarHBondContact O-CB 3.34Å; R31-E35 PolarHBondContact O-N 2.96Å; E35-H37 VanDerWaalsContact C-N 3.32Å; E35-H37 PolarHBondContact O-N 2.9Å; E35-E38 PolarHBondContact O-N 3.03Å; E35-A39 WeakPolarHBondContact O-CB 3.28Å; E35-A39 PolarHBondContact O-N 3.23Å
36G88.4Confident86.3Confident36 Ų36105.6 Ų105.637%0.37152%0.519SS..Hα-helixtrans-65.3-29172.200000114.4L32 M34 M40L32-G36 PolarHBondContact O-N 2.84Å; M34-G36 VanDerWaalsContact C-N 3.33Å; M34-G36 PolarHBondContact O-N 3.13Å; G36-M40 PolarHBondContact O-N 2.87Å
37H92Very high86.8Confident121 Ų121104.2 Ų104.256%0.5652%0.519SS*.Hα-helixtrans-75.6-44.6173.7-174.1-7.4000111.2K33 M34 E35 A39 M40 E41K33-H37 PolarHBondContact O-N 2.97Å; K33-H37 VanDerWaalsContact O-N 3.17Å; M34-H37 WeakPolarHBondContact O-CB 3.29Å; M34-H37 PolarHBondContact O-N 3.01Å; E35-H37 VanDerWaalsContact C-N 3.32Å; E35-H37 PolarHBondContact O-N 2.9Å; H37-A39 VanDerWaalsContact C-N 3.34Å; H37-A39 PolarHBondContact O-N 3.37Å; H37-M40 WeakPolarHBondContact O-CA 3.3Å; H37-M40 WeakPolarHBondContact O-CB 3.45Å; H37-M40 PolarHBondContact O-N 2.8Å; H37-E41 PolarHBondContact O-N 3.48Å; H37-E41 VanDerWaalsContact O-N 3.09Å
38E89.7Confident87.3Confident102 Ų102104.2 Ų104.248%0.47752%0.515SS..Hα-helixtrans-61.8-43.3177.6-161.1-163.9152.100111.3M34 E35 M40 E41 R42M34-E38 PolarHBondContact O-N 3.38Å; E35-E38 PolarHBondContact O-N 3.03Å; E38-M40 PolarHBondContact O-N 2.98Å; E38-E41 PolarHBondContact O-N 3.37Å; E38-R42 WeakPolarHBondContact O-CG 3.23Å; E38-R42 PolarHBondContact O-N 3.11Å; E38-R42 IonicContact OE1-CZ 2.68Å; E38-R42 IonicContact OE1-NE 3.58Å; E38-R42 PolarHBondContact OE1-NE 3.4Å; E38-R42 IonicContact OE1-NH2 2.7Å; E38-R42 PolarHBondContact OE1-NH2 3.07Å
39A88.6Confident87.7Confident25 Ų25104.2 Ų104.221%0.20752%0.515CS..Hα-helixtrans-62.1-23.717400000113.4E35 H37 L43 L180E35-A39 WeakPolarHBondContact O-CB 3.28Å; E35-A39 PolarHBondContact O-N 3.23Å; H37-A39 VanDerWaalsContact C-N 3.34Å; H37-A39 PolarHBondContact O-N 3.37Å; A39-L43 WeakPolarHBondContact O-CB 3.46Å; A39-L43 PolarHBondContact O-N 3.46Å; A39-L180 HydrophobicContact CB-CD2 4.26Å
40M89.3Confident87.7Confident129 Ų129109 Ų10964%0.63553%0.527SS*.Hα-helixtrans-78.9-41.6174.4-170.2175.2-67.400111.9G36 H37 E38 L43 K44G36-M40 PolarHBondContact O-N 2.87Å; H37-M40 WeakPolarHBondContact O-CA 3.3Å; H37-M40 WeakPolarHBondContact O-CB 3.45Å; H37-M40 PolarHBondContact O-N 2.8Å; E38-M40 PolarHBondContact O-N 2.98Å; M40-L43 PolarHBondContact O-N 3.43Å; M40-K44 WeakPolarHBondContact O-CB 3.47Å; M40-K44 PolarHBondContact O-N 2.65Å
41E90Very high87.2Confident79 Ų79112.2 Ų112.237%0.36954%0.536SS..Hα-helixtrans-62.5-44.6172.8-83.4-65113.600111.6H37 E38 L43 K44 M45H37-E41 PolarHBondContact O-N 3.48Å; H37-E41 VanDerWaalsContact O-N 3.09Å; E38-E41 PolarHBondContact O-N 3.37Å; E41-L43 VanDerWaalsContact C-N 3.32Å; E41-L43 PolarHBondContact O-N 2.85Å; E41-K44 WeakPolarHBondContact O-CB 3.3Å; E41-K44 PolarHBondContact O-N 2.86Å; E41-K44 WeakPolarHBondContact OE1-CD 3.1Å; E41-K44 IonicContact OE1-NZ 2.64Å; E41-K44 PolarHBondContact OE1-NZ 3.25Å; E41-K44 IonicContact OE2-NZ 2.6Å; E41-K44 PolarHBondContact OE2-NZ 2.91Å; E41-M45 PolarHBondContact O-N 2.84Å
42R92.8Very high86.6Confident157 Ų157111.5 Ų111.559%0.59254%0.538SS*.Hα-helixtrans-57.3-43.2174.6-68.9177-177.9-157.94.2111.9E38 M45 L46E38-R42 WeakPolarHBondContact O-CG 3.23Å; E38-R42 PolarHBondContact O-N 3.11Å; E38-R42 IonicContact OE1-CZ 2.68Å; E38-R42 IonicContact OE1-NE 3.58Å; E38-R42 PolarHBondContact OE1-NE 3.4Å; E38-R42 IonicContact OE1-NH2 2.7Å; E38-R42 PolarHBondContact OE1-NH2 3.07Å; R42-M45 PolarHBondContact O-N 3.35Å; R42-L46 WeakPolarHBondContact O-CG 3.36Å; R42-L46 PolarHBondContact O-N 2.87Å
43L90.1Very high85.5Confident103 Ų103111.6 Ų111.654%0.53954%0.538SS..Hα-helixtrans-68.4-36.7178-173.663.5000112.8A39 M40 E41 L46 A47A39-L43 WeakPolarHBondContact O-CB 3.46Å; A39-L43 PolarHBondContact O-N 3.46Å; M40-L43 PolarHBondContact O-N 3.43Å; E41-L43 VanDerWaalsContact C-N 3.32Å; E41-L43 PolarHBondContact O-N 2.85Å; L43-L46 PolarHBondContact O-N 2.62Å; L43-A47 WeakPolarHBondContact O-CB 3.38Å; L43-A47 PolarHBondContact O-N 2.66Å
44K92.5Very high84Confident115 Ų115109.3 Ų109.350%0.553%0.534SS..Hα-helixtrans-64.9-41.4174.3173.8-178.9154.8-152.70111.5M40 E41 A47 L48M40-K44 WeakPolarHBondContact O-CB 3.47Å; M40-K44 PolarHBondContact O-N 2.65Å; E41-K44 WeakPolarHBondContact O-CB 3.3Å; E41-K44 PolarHBondContact O-N 2.86Å; E41-K44 WeakPolarHBondContact OE1-CD 3.1Å; E41-K44 IonicContact OE1-NZ 2.64Å; E41-K44 PolarHBondContact OE1-NZ 3.25Å; E41-K44 IonicContact OE2-NZ 2.6Å; E41-K44 PolarHBondContact OE2-NZ 2.91Å; K44-A47 PolarHBondContact O-N 3.04Å; K44-L48 WeakPolarHBondContact O-CG 3.39Å; K44-L48 PolarHBondContact O-N 2.88Å
45M90.2Very high82.6Confident105 Ų105105.7 Ų105.752%0.51753%0.527SS..Hα-helixtrans-61.7-46.2172.2-78.5-64-68.200112.4E41 R42 A47 L48 L49E41-M45 PolarHBondContact O-N 2.84Å; R42-M45 PolarHBondContact O-N 3.35Å; M45-A47 VanDerWaalsContact C-N 3.29Å; M45-A47 PolarHBondContact O-N 2.88Å; M45-L48 PolarHBondContact O-N 3.32Å; M45-L48 VanDerWaalsContact O-N 3.12Å; M45-L48 HydrophobicContact SD-CD1 4.4Å; M45-L49 HydrophobicContact CE-CD1 4.45Å; M45-L49 WeakPolarHBondContact O-CD1 3.5Å; M45-L49 PolarHBondContact O-N 3.38Å
46L88.1Confident80.8Confident98 Ų98106.7 Ų106.751%0.51354%0.536SS..Hα-helixtrans-60.6-36.9175.5-72.3167.8000112.5R42 L43 K50R42-L46 WeakPolarHBondContact O-CG 3.36Å; R42-L46 PolarHBondContact O-N 2.87Å; L43-L46 PolarHBondContact O-N 2.62Å; L46-K50 WeakPolarHBondContact O-CB 3.44Å; L46-K50 PolarHBondContact O-N 2.86Å
47A85.9Confident78.8Confident51 Ų51112 Ų11242%0.42156%0.555SS.*Hα-helixtrans-68.6-31.8175.200000113.3L43 K44 M45 R51L43-A47 WeakPolarHBondContact O-CB 3.38Å; L43-A47 PolarHBondContact O-N 2.66Å; K44-A47 PolarHBondContact O-N 3.04Å; M45-A47 VanDerWaalsContact C-N 3.29Å; M45-A47 PolarHBondContact O-N 2.88Å; A47-R51 WeakPolarHBondContact O-CG 3.36Å; A47-R51 PolarHBondContact O-N 3.23Å
48L85.8Confident76.3Confident92 Ų92114.8 Ų114.848%0.48257%0.568SS.*Hα-helixtrans-71.1-45173.4-71.5170.6000111.7K44 M45 R51 K52K44-L48 WeakPolarHBondContact O-CG 3.39Å; K44-L48 PolarHBondContact O-N 2.88Å; M45-L48 PolarHBondContact O-N 3.32Å; M45-L48 VanDerWaalsContact O-N 3.12Å; M45-L48 HydrophobicContact SD-CD1 4.4Å; L48-R51 PolarHBondContact O-N 3.42Å; L48-K52 PolarHBondContact O-N 3.44Å
49L83.4Confident74Confident94 Ų94116.2 Ų116.249%0.49258%0.584SS.*Hα-helixtrans-57.5-50.9173.7-93.367.2000110.9M45 R51 K52 D53M45-L49 HydrophobicContact CE-CD1 4.45Å; M45-L49 WeakPolarHBondContact O-CD1 3.5Å; M45-L49 PolarHBondContact O-N 3.38Å; L49-R51 PolarHBondContact O-N 2.9Å; L49-K52 WeakPolarHBondContact O-CA 3.24Å; L49-K52 WeakPolarHBondContact O-CB 3.26Å; L49-K52 PolarHBondContact O-N 2.96Å; L49-D53 PolarHBondContact O-N 3.35Å
50K81Confident71.8Confident150 Ų150121 Ų12165%0.65261%0.613SS**Hα-helixtrans-61.6-28.3-179.7-171.1170.1-176.7174.40113.8L46 L54L46-K50 WeakPolarHBondContact O-CB 3.44Å; L46-K50 PolarHBondContact O-N 2.86Å; K50-L54 WeakPolarHBondContact O-CD1 3.41Å; K50-L54 WeakPolarHBondContact O-CG 3.32Å; K50-L54 PolarHBondContact O-N 3.43Å
51R75Confident69.2Low187 Ų187121.8 Ų121.871%0.70662%0.615SS**Hα-helixtrans-72.9-35.6170.1-82.4179170.1155.4-3112.4A47 L48 L49 L54 A55A47-R51 WeakPolarHBondContact O-CG 3.36Å; A47-R51 PolarHBondContact O-N 3.23Å; L48-R51 PolarHBondContact O-N 3.42Å; L49-R51 PolarHBondContact O-N 2.9Å; R51-L54 PolarHBondContact O-N 3.24Å; R51-A55 PolarHBondContact O-N 2.8Å; R51-A55 VanDerWaalsContact O-N 3.08Å
52K72.7Confident67Low160 Ų160126 Ų12670%0.69664%0.635SS**Hα-helixtrans-71.8-38.3178.9-164.7169.3-176.8176.20112.4L48 L49 L54 A55 N56L48-K52 PolarHBondContact O-N 3.44Å; L49-K52 WeakPolarHBondContact O-CA 3.24Å; L49-K52 WeakPolarHBondContact O-CB 3.26Å; L49-K52 PolarHBondContact O-N 2.96Å; K52-L54 VanDerWaalsContact C-N 3.34Å; K52-L54 PolarHBondContact O-N 2.93Å; K52-A55 PolarHBondContact O-N 3.08Å; K52-N56 PolarHBondContact O-N 3Å
53D61.1Low64.3Low113 Ų113124.9 Ų124.960%0.60464%0.64SS**Hα-helixtrans-60.4-41.8171.2-75-58.7000112.1L49 N56L49-D53 PolarHBondContact O-N 3.35Å; D53-N56 PolarHBondContact O-N 3.43Å
54L55.9Low61.9Low118 Ų118125.1 Ų125.162%0.61865%0.647SS**Hα-helixtrans-68.2-35177.9-73.4169.9000113K50 R51 K52 N56K50-L54 WeakPolarHBondContact O-CD1 3.41Å; K50-L54 WeakPolarHBondContact O-CG 3.32Å; K50-L54 PolarHBondContact O-N 3.43Å; R51-L54 PolarHBondContact O-N 3.24Å; K52-L54 VanDerWaalsContact C-N 3.34Å; K52-L54 PolarHBondContact O-N 2.93Å; L54-N56 PolarHBondContact O-N 3.23Å
55A55.4Low59.1Low72 Ų72125.5 Ų125.560%0.59566%0.659SS**Hα-helixtrans-72-14.3178.400000113.8R51 K52R51-A55 PolarHBondContact O-N 2.8Å; R51-A55 VanDerWaalsContact O-N 3.08Å; K52-A55 PolarHBondContact O-N 3.08Å
56N50Low56.9Low133 Ų133129.9 Ų129.971%0.71168%0.676SS**THydrogen-bonded Turntrans-95.612.2-175.3-125.964.9000113.4K52 D53 L54K52-N56 PolarHBondContact O-N 3Å; D53-N56 PolarHBondContact O-N 3.43Å; L54-N56 PolarHBondContact O-N 3.23Å
57L46.5Very low54.6Low147 Ų147132.6 Ų132.677%0.7769%0.686SS**  trans-122.73.8-174.2-87.1163.6000115
58E38.1Very low52.4Low180 Ų180137.3 Ų137.384%0.84170%0.704SS**  trans-91.7106167.6-75.9-175.473.400110.6
59V42.4Very low50.1Low132 Ų132135.8 Ų135.880%0.871%0.71SS**  trans-130.9130.4167.3-179.70000108.3
60P41.3Very low48Very low127 Ų127137.8 Ų137.883%0.82573%0.732SS**  trans-75.8165.9-167.5-20.735.2000117.5
61H35.7Very low45.9Very low145 Ų145133.8 Ų133.867%0.67173%0.733SS**  trans-72.6143.1175.5171.7-76.9000113.1
62E43.2Very low44.1Very low168 Ų168131.1 Ų131.179%0.78574%0.738SS**  trans-160.5157.2138.1-84.9-46.763.800112.1
63L36.9Very low42.5Very low132 Ų132133 Ų13369%0.69175%0.746SS**  trans-136.7162.9-176.2-101.8165000107.7
64P38Very low41.2Very low108 Ų108131 Ų13170%0.70175%0.752SS**  -159.1167.158.443.2-20.7000120.5
65T34.3Very low40.4Very low123 Ų123135.8 Ų135.876%0.75576%0.763SS**  trans16.4134.3149.362.10000123.5
66K43.5Very low39.5Very low197 Ų197139.7 Ų139.786%0.85777%0.769SS**  -161.3177112.8-113.3179.6-179.7-1750113.8
67Q40.4Very low39.6Very low156 Ų156140.9 Ų140.973%0.72977%0.77SS**  trans-85.1171.6-170.1-57.7149.7-103.300111.7
68D39.6Very low39.3Very low149 Ų149141.6 Ų141.680%0.79777%0.767SS**  cis-166.6165.143.7-102.8-54.9000114.7
69G36.8Very low40Very low60 Ų60140.4 Ų140.462%0.61977%0.766SS**  trans75.8103.5133.600000124.2
70S39.3Very low39.8Very low136 Ų136142.5 Ų142.595%0.95177%0.772SS**  trans67.4157.1152.777.50000119.7
71G37Very low40.2Very low66 Ų66140.2 Ų140.268%0.6877%0.772SS**  cis171.3132.1-15.100000116.5
72V39.2Very low40.2Very low131 Ų131140.3 Ų140.379%0.79478%0.778SS**  trans68.7133.8147.1178.70000121.1
73K37.9Very low40.4Very low201 Ų201140.8 Ų140.887%0.87479%0.785SS**  trans67.6148.1172.3-69.6160.6-176.2178.70116.5
74G34.5Very low40.6Very low70 Ų70145.5 Ų145.572%0.72279%0.793SS**  cis114.1101.5-11.400000115.2
75Y38.2Very low40.9Very low219 Ų219146.1 Ų146.186%0.85980%0.797SS**  trans-150.1146.7167.260.1-86.1000111.8
76E36.5Very low41.1Very low154 Ų154148.9 Ų148.972%0.7280%0.801SS**  trans-112.1142.1160-136.1-160.3123.100105.5K78E76-K78 WeakPolarHBondContact OE1-CE 3.39Å; E76-K78 IonicContact OE1-NZ 2.79Å; E76-K78 PolarHBondContact OE1-NZ 3.31Å
77E53.2Low41.3Very low158 Ų158142.9 Ų142.974%0.73880%0.795SS**  trans-137.3136.9168.1-163.9170.3113.400111.1
78K40.4Very low41.3Very low161 Ų161142.2 Ų142.270%0.780%0.797SS**  trans-136.6120.2176.5-73.3177.4174.5109.60108.3E76E76-K78 WeakPolarHBondContact OE1-CE 3.39Å; E76-K78 IonicContact OE1-NZ 2.79Å; E76-K78 PolarHBondContact OE1-NZ 3.31Å
79L52.9Low41.6Very low156 Ų156142.5 Ų142.582%0.81780%0.798SS**  trans-136.5132.5164.1-72.1176.5000110.1
80N37.1Very low42Very low175 Ų175150.1 Ų150.194%0.93681%0.808SS**  trans-91.3145171.7-71.1-18.9000109.5
81G50.3Low42.3Very low80 Ų80149.9 Ų149.983%0.82580%0.801SS**  trans-143.5127.5168.600000110.3
82N34.4Very low42.5Very low146 Ų146151.6 Ų151.678%0.78181%0.809SS**  trans-151.2113.1-171-176.2100.1000111
83L49.1Very low42.9Very low178 Ų178149 Ų14993%0.93281%0.808SS**  trans-131.2158177.2-71.8176000111.5
84R40.7Very low43.1Very low232 Ų232151 Ų15188%0.87581%0.811SS**  trans-111.7159.6-168.7-62.8-173.173.5-161.92.1112.7
85P44.3Very low43.9Very low120 Ų120153.5 Ų153.578%0.77981%0.814SS**  trans-98.4149.5-178.737.2-34.4000114.6
86H38.1Very low44Very low182 Ų182146.9 Ų146.984%0.84381%0.813SS**  trans-170.6155.6146.2-152.2-80.3000110.7D88H86-D88 IonicContact CE1-OD2 3.16Å
87G47.8Very low44.1Very low70 Ų70149 Ų14972%0.72282%0.819SS**  trans146.190.6160.300000117.3
88D40.4Very low43.7Very low143 Ų143150.2 Ų150.277%0.76583%0.825SS**  trans-78.8151.8173.3-54.5-103.7000114.2H86H86-D88 IonicContact CE1-OD2 3.16Å
89N46.2Very low43.8Very low155 Ų155148.7 Ų148.783%0.82982%0.824SS**  trans-154.3167.7136.5-145.3-12.7000113.5
90R44Very low43.5Very low219 Ų219149 Ų14983%0.82683%0.825SS**  trans-83.7174.8-172.7-56.4168.5175.2177.8-3.3111.3
91T45.5Very low44Very low132 Ų132147.1 Ų147.181%0.8182%0.815SS**  cis-160.5158.427-34.50000113.5
92A41.8Very low44.1Very low102 Ų102151.2 Ų151.284%0.84382%0.818SS**  trans-10.9142.4169.800000123.5
93G47.6Very low45.1Very low76 Ų76152.3 Ų152.378%0.78482%0.819SS**  trans178.9135.3158.800000113.6
94R42.2Very low45.1Very low243 Ų243148.4 Ų148.492%0.91780%0.804SS**  trans-149.8171.8175.3-74-175.5165.7-119.46.1108.7
95P50.5Low46.3Very low123 Ų123144 Ų14480%0.79980%0.803SS**  -126.5166.2-62.238.1-22.9000111.6
96G40.2Very low46.4Very low80 Ų80144.1 Ų144.183%0.82580%0.797SS**  trans-154161.4-179.800000114.7
97K39.9Very low47.3Very low198 Ų198144 Ų14486%0.86180%0.799SS**  trans-102.9-178.2175.3-92.7-174.6175.7-178.40110.6
98E45.3Very low46.8Very low184 Ų184144.3 Ų144.386%0.8679%0.79SS**  trans77.8118.5163.390.1-154.7101.800116.2
99N42.4Very low47Very low128 Ų128142.1 Ų142.168%0.68479%0.791SS**  cis93.599.942.7-179.124.9000112.1N101N99-N101 PolarHBondContact OD1-ND2 2.68Å
100I46.5Very low46.7Very low162 Ų162146 Ų14683%0.83180%0.795SS**  trans-146.5152144.1-145.860.1000108.7
101N46.2Very low46.5Very low137 Ų137147.2 Ų147.273%0.73380%0.799SS**  trans-110.5171.3177.8-67.4-99.8000109.3N99N99-N101 PolarHBondContact OD1-ND2 2.68Å
102D53.5Low46.3Very low166 Ų166146.3 Ų146.389%0.88880%0.798SS**  trans-136.8156.9152.5-163.1-158.1000110
103E54.5Low45.9Very low168 Ų168150.4 Ų150.479%0.78580%0.8SS**  trans-106.9-156.3-157.4-110.7-169.252.400112.7
104P50.4Low45.9Very low96 Ų96151.7 Ų151.762%0.62379%0.794SS**  -129.2168-64.336.4-22.5000113.7
105V65.8Low45.5Very low141 Ų141148.2 Ų148.286%0.85579%0.789SS**  trans-142.1120.2152.2179.50000110.5M107V105-M107 HydrophobicContact CG1-CG 4.47Å
106D46.1Very low44.7Very low121 Ų121153.2 Ų153.265%0.64779%0.791SS**  trans-111.3145.7163.517829000109.9S108D106-S108 VanDerWaalsContact OD1-CB 3.27Å; D106-S108 WeakPolarHBondContact OD1-CB 3.16Å; D106-S108 PolarHBondContact OD1-N 2.79Å; D106-S108 VanDerWaalsContact OD1-N 3.14Å; D106-S108 PolarHBondContact OD1-OG 3.26Å; D106-S108 PolarHBondContact OD2-OG 2.94Å
107M56.1Low44.5Very low180 Ų180153 Ų15389%0.88779%0.79SS**  trans-141.466.9167.4-71.6-144.580.400110.7V105V105-M107 HydrophobicContact CG1-CG 4.47Å
108S38.4Very low44.2Very low77 Ų77154.3 Ų154.354%0.53879%0.789SS.*  trans-99.293.6-175.362.70000114.8D106D106-S108 VanDerWaalsContact OD1-CB 3.27Å; D106-S108 WeakPolarHBondContact OD1-CB 3.16Å; D106-S108 PolarHBondContact OD1-N 2.79Å; D106-S108 VanDerWaalsContact OD1-N 3.14Å; D106-S108 PolarHBondContact OD1-OG 3.26Å; D106-S108 PolarHBondContact OD2-OG 2.94Å
109A44.3Very low44Very low96 Ų96152.1 Ų152.179%0.79378%0.783SS**  trans-132.599.6165.200000108.9
110R40.5Very low43.5Very low238 Ų238152.6 Ų152.690%0.89879%0.79SS**  76.5148.175-68.6-171.2-177.3-94.4-3.3113.9
111R39Very low43.8Very low243 Ų243150.6 Ų150.692%0.91779%0.788SS**  trans-104142.7-159.6-50.3164.3175.5-99.93.8112.3
112S40.3Very low43.5Very low114 Ų114149 Ų14980%0.79779%0.788SS**  trans174.6129.8138.751.50000113.8
113E34.7Very low43.4Very low188 Ų188146.2 Ų146.288%0.87978%0.779SS**  trans42.1157.5145.7-78.6-80.993.200123.4
114P48.1Very low42.9Very low102 Ų102144.5 Ų144.566%0.66278%0.775SS**  trans-109.4152.5-176.239.9-31.4000114.9
115E33.4Very low43.2Very low171 Ų171147.4 Ų147.480%0.79978%0.783SS**  trans-153.3178.2147.4-124.6-151.8112.400115.5
116R34.1Very low42.7Very low227 Ų227147.5 Ų147.586%0.85778%0.778SS**  trans-65.5150-164.8-59.1162.2175.6178.8-7.2115
117G34Very low43.2Very low77 Ų77147.4 Ų147.479%0.79478%0.781SS**  trans-166.244.2-179.800000120.3
118R34.6Very low43Very low225 Ų225146.4 Ų146.485%0.84978%0.779SS**  trans35125157.5-90.9-168.7167.8-132.5-4.4122.2
119L40.5Very low43.5Very low137 Ų137147.3 Ų147.372%0.71779%0.785SS**  trans80.9105.6137.2-61.6171.6000121.6
120T33.5Very low43.5Very low138 Ų138149.6 Ų149.685%0.84778%0.784SS**  trans-128.1130.6141.9510000108.9
121P51.3Low44Very low120 Ų120145.6 Ų145.678%0.77978%0.78SS**  trans-105.898.6-17735.4-28.8000114.8
122S41.4Very low44.4Very low104 Ų104141.5 Ų141.573%0.72777%0.772SS**  trans59.5169.7152.1-85.30000119.7
123P50Low44.5Very low108 Ų108140.2 Ų140.270%0.70177%0.767SS**  cis-120.3138.55.537.6-22.2000117.4
124D44.8Very low44.7Very low132 Ų132136.8 Ų136.871%0.70676%0.764SS**  52.993125.7-44.6-13.9000119.4
125I57.1Low44.5Very low156 Ų156136.5 Ų136.580%0.877%0.765SS**  trans-112.6110.2152.3-61.8177.2000107.9V127I125-V127 PolarHBondContact O-N 3.34Å; I125-V127 VanDerWaalsContact O-N 3.15Å
126I55.2Low45.2Very low144 Ų144133 Ų13374%0.73876%0.757SS**  trans-76.5101.1178.8-56174.9000109.1L128I126-L128 HydrophobicContact CG2-CD2 3.77Å; I126-L128 HydrophobicContact CG2-CG 4.13Å; I126-L128 PolarHBondContact O-N 2.82Å
127V55.9Low45.9Very low118 Ų118133.9 Ų133.972%0.71576%0.76SS**  trans-82.1103168.2-178.70000108.4I125 S129I125-V127 PolarHBondContact O-N 3.34Å; I125-V127 VanDerWaalsContact O-N 3.15Å; V127-S129 PolarHBondContact O-N 3.49Å; V127-S129 VanDerWaalsContact O-N 3.1Å
128L52.6Low46.7Very low160 Ų160134.3 Ų134.384%0.83875%0.751SS**  trans-7593.3174-65.5175.7000109.9I126I126-L128 HydrophobicContact CG2-CD2 3.77Å; I126-L128 HydrophobicContact CG2-CG 4.13Å; I126-L128 PolarHBondContact O-N 2.82Å
129S47.7Very low47.5Very low96 Ų96126.2 Ų126.267%0.67173%0.729SS**  trans-73.8145.4170.6-63.40000112V127V127-S129 PolarHBondContact O-N 3.49Å; V127-S129 VanDerWaalsContact O-N 3.1Å
130D45.8Very low48.3Very low143 Ų143123.8 Ų123.877%0.76572%0.724SS**  trans46.2113.2164.2-73.4-64.3000120.5
131N49.6Very low49.6Very low154 Ų154126 Ų12682%0.82472%0.717SS**  trans-117.594.3137.9178.4104.7000107.4A133N131-A133 PolarHBondContact O-N 3.17Å
132E47.7Very low50.2Low158 Ų158125.6 Ų125.674%0.73871%0.706SS**  trans-61133.2177-86.5-133.185.200112.1
133A43.1Very low51.5Low86 Ų86125.1 Ų125.171%0.71169%0.692SS**  trans-136.457.3166.200000109.9N131 S135N131-A133 PolarHBondContact O-N 3.17Å; A133-S135 PolarHBondContact O-N 2.84Å
134S38Very low52.5Low116 Ų116125.9 Ų125.981%0.81169%0.686SS**  trans41.173.5161.5-59.30000116.7
135S45.3Very low53.7Low97 Ų97128.5 Ų128.568%0.67869%0.686SS**  trans-101.8133172.1-170.60000111.6A133 R137A133-S135 PolarHBondContact O-N 2.84Å; S135-R137 PolarHBondContact O-N 3.14Å
136P47.7Very low54.4Low97 Ų97125.9 Ų125.963%0.6367%0.673SS**  trans-67.3121.3-174.126.2-34000112S138P136-S138 PolarHBondContact O-N 3.21Å
137R47.8Very low55.3Low245 Ų245125 Ų12593%0.92566%0.664SS**THydrogen-bonded Turntrans-67.712.5-172.7-59.9176.671.4-169.74.5115.3S135S135-R137 PolarHBondContact O-N 3.14Å
138S51.3Low56.1Low87 Ų87121.9 Ų121.961%0.60865%0.65SS**THydrogen-bonded Turntrans-79-26.7177.451.40000113.9P136 S140 R141P136-S138 PolarHBondContact O-N 3.21Å; S138-S140 PolarHBondContact O-N 2.89Å; S138-R141 PolarHBondContact O-N 3.33Å
139S51.9Low57.1Low55 Ų55116.7 Ų116.739%0.38563%0.63SS.*Hα-helixtrans-61.4-38.8-174.5-1670000113.5R141 M142 E143S139-R141 VanDerWaalsContact C-N 3.25Å; S139-R141 PolarHBondContact O-N 3.45Å; S139-R141 VanDerWaalsContact O-N 3.11Å; S139-M142 WeakPolarHBondContact O-CG 3.49Å; S139-M142 PolarHBondContact O-N 3.25Å; S139-E143 PolarHBondContact O-N 2.88Å
140S57.4Low58.6Low86 Ų86116.1 Ų116.160%0.60162%0.62SS**Hα-helixtrans-50.1-44.2-177.7179.10000112.8S138 M142 E143 E144S138-S140 PolarHBondContact O-N 2.89Å; S140-M142 PolarHBondContact O-N 2.92Å; S140-E143 PolarHBondContact O-N 2.88Å; S140-E144 VanDerWaalsContact O-CB 3.29Å; S140-E144 WeakPolarHBondContact O-CB 3.34Å; S140-E144 PolarHBondContact O-N 2.94Å
141R60.3Low60Low185 Ų185115.3 Ų115.370%0.69862%0.615SS**Hα-helixtrans-76.8-17.9-175.6-143.7179.8-166-1473.4114.5S138 S139 R145S138-R141 PolarHBondContact O-N 3.33Å; S139-R141 VanDerWaalsContact C-N 3.25Å; S139-R141 PolarHBondContact O-N 3.45Å; S139-R141 VanDerWaalsContact O-N 3.11Å; R141-R145 WeakPolarHBondContact O-CD 2.78Å; R141-R145 WeakPolarHBondContact O-CG 3.05Å
142M63.1Low61.5Low111 Ų111113 Ų11355%0.54760%0.599SS.*Hα-helixtrans-88.3-37.3169.453.6172.2-88.100111.5S139 S140 R145 L146S139-M142 WeakPolarHBondContact O-CG 3.49Å; S139-M142 PolarHBondContact O-N 3.25Å; S140-M142 PolarHBondContact O-N 2.92Å; M142-R145 PolarHBondContact O-N 2.96Å; M142-L146 VanDerWaalsContact O-CG 3.32Å; M142-L146 WeakPolarHBondContact O-CG 3.14Å; M142-L146 PolarHBondContact O-N 3.46Å
143E69.6Low63Low94 Ų94108.6 Ų108.644%0.43958%0.579SS.*Hα-helixtrans-65.7-40.3175.9-163.1-175.5121.700111.7S139 S140 L146 K147S139-E143 PolarHBondContact O-N 2.88Å; S140-E143 PolarHBondContact O-N 2.88Å; E143-L146 PolarHBondContact O-N 3.42Å; E143-K147 WeakPolarHBondContact O-CG 3.39Å; E143-K147 PolarHBondContact O-N 3.31Å; E143-K147 WeakPolarHBondContact OE1-CE 3.44Å; E143-K147 IonicContact OE1-NZ 3.88Å; E143-K147 PolarHBondContact OE1-NZ 2.86Å
144E70.7Confident64.9Low123 Ų123106.5 Ų106.558%0.57555%0.554SS**Hα-helixtrans-61.9-43.3172.4-175177.7-146.400112.1S140 L146 K147 A148S140-E144 VanDerWaalsContact O-CB 3.29Å; S140-E144 WeakPolarHBondContact O-CB 3.34Å; S140-E144 PolarHBondContact O-N 2.94Å; E144-L146 VanDerWaalsContact C-N 3.35Å; E144-L146 PolarHBondContact O-N 3.17Å; E144-K147 PolarHBondContact O-N 2.83Å; E144-A148 WeakPolarHBondContact O-CB 3.1Å; E144-A148 PolarHBondContact O-N 2.87Å
145R69.1Low66.9Low187 Ų187107 Ų10771%0.70654%0.542SS*.Hα-helixtrans-62.3-39.5173.8-82.8176.6162.5-178-6.7112.6R141 M142 A148 A149R141-R145 WeakPolarHBondContact O-CD 2.78Å; R141-R145 WeakPolarHBondContact O-CG 3.05Å; M142-R145 PolarHBondContact O-N 2.96Å; R145-A148 PolarHBondContact O-N 3.35Å; R145-A149 WeakPolarHBondContact O-CB 3.37Å; R145-A149 PolarHBondContact O-N 3Å
146L72.2Confident68.4Low101 Ų101106.6 Ų106.653%0.52955%0.553SS.*Hα-helixtrans-66.7-42.6175.5-73.9163.8000111.4M142 E143 E144 A149 N150M142-L146 VanDerWaalsContact O-CG 3.32Å; M142-L146 WeakPolarHBondContact O-CG 3.14Å; M142-L146 PolarHBondContact O-N 3.46Å; E143-L146 PolarHBondContact O-N 3.42Å; E144-L146 VanDerWaalsContact C-N 3.35Å; E144-L146 PolarHBondContact O-N 3.17Å; L146-A149 PolarHBondContact O-N 3.19Å; L146-N150 PolarHBondContact O-N 3.13Å; L146-N150 PolarHBondContact O-ND2 3.06Å
147K74Confident70.1Confident126 Ų126105.8 Ų105.855%0.54854%0.54SS..Hα-helixtrans-62-43.5174-73.4168.6-176.3168.30111.8E143 E144 N150 L151E143-K147 WeakPolarHBondContact O-CG 3.39Å; E143-K147 PolarHBondContact O-N 3.31Å; E143-K147 WeakPolarHBondContact OE1-CE 3.44Å; E143-K147 IonicContact OE1-NZ 3.88Å; E143-K147 PolarHBondContact OE1-NZ 2.86Å; E144-K147 PolarHBondContact O-N 2.83Å; K147-N150 PolarHBondContact O-N 3.37Å; K147-L151 WeakPolarHBondContact O-CB 3.27Å; K147-L151 PolarHBondContact O-N 3.42Å
148A73Confident71.9Confident52 Ų5296 Ų9643%0.4351%0.514SS..Hα-helixtrans-61-47.3175.300000111.9E144 R145 N150 L151 E152E144-A148 WeakPolarHBondContact O-CB 3.1Å; E144-A148 PolarHBondContact O-N 2.87Å; R145-A148 PolarHBondContact O-N 3.35Å; A148-N150 PolarHBondContact O-N 3.33Å; A148-L151 PolarHBondContact O-N 2.75Å; A148-L151 VanDerWaalsContact O-N 3.1Å; A148-E152 WeakPolarHBondContact O-CG 3.4Å; A148-E152 PolarHBondContact O-N 2.99Å
149A73.4Confident73.6Confident51 Ų5198 Ų9842%0.42152%0.517SS..Hα-helixtrans-59.7-44.1176.400000112.4R145 L146 L151 E152 M153R145-A149 WeakPolarHBondContact O-CB 3.37Å; R145-A149 PolarHBondContact O-N 3Å; L146-A149 PolarHBondContact O-N 3.19Å; A149-L151 VanDerWaalsContact C-N 3.28Å; A149-L151 PolarHBondContact O-N 2.86Å; A149-E152 PolarHBondContact O-N 2.92Å; A149-M153 VanDerWaalsContact O-CG 3.27Å; A149-M153 WeakPolarHBondContact O-CG 3.35Å; A149-M153 PolarHBondContact O-N 3.4Å
150N79.2Confident75.4Confident85 Ų85102.1 Ų102.146%0.45553%0.53SS..Hα-helixtrans-61.3-34.2174.5-83.7-89.4000112.7L146 K147 A148 F154L146-N150 PolarHBondContact O-N 3.13Å; L146-N150 PolarHBondContact O-ND2 3.06Å; K147-N150 PolarHBondContact O-N 3.37Å; A148-N150 PolarHBondContact O-N 3.33Å; N150-F154 VanDerWaalsContact O-CD2 3.26Å; N150-F154 WeakPolarHBondContact O-CD2 3.13Å
151L76Confident76.8Confident125 Ų125102.8 Ų102.865%0.65452%0.524SS*.Hα-helixtrans-76.4-43.6179.3-166.968000111.9K147 A148 A149 M153 F154 K155K147-L151 WeakPolarHBondContact O-CB 3.27Å; K147-L151 PolarHBondContact O-N 3.42Å; A148-L151 PolarHBondContact O-N 2.75Å; A148-L151 VanDerWaalsContact O-N 3.1Å; A149-L151 VanDerWaalsContact C-N 3.28Å; A149-L151 PolarHBondContact O-N 2.86Å; L151-M153 VanDerWaalsContact C-N 3.28Å; L151-M153 PolarHBondContact O-N 3.37Å; L151-F154 PolarHBondContact O-N 2.93Å; L151-K155 PolarHBondContact O-N 3.45Å
152E80.9Confident78.2Confident105 Ų10599.3 Ų99.349%0.49151%0.511SS..Hα-helixtrans-61.5-35.2175-64.7-62.4118.600111.7A148 A149 F154 K155A148-E152 WeakPolarHBondContact O-CG 3.4Å; A148-E152 PolarHBondContact O-N 2.99Å; A149-E152 PolarHBondContact O-N 2.92Å; E152-F154 PolarHBondContact O-N 3.4Å; E152-F154 VanDerWaalsContact O-N 3.08Å; E152-K155 VanDerWaalsContact CD-CD 3.45Å; E152-K155 WeakPolarHBondContact O-CB 3.39Å; E152-K155 PolarHBondContact O-N 3.49Å; E152-K155 VanDerWaalsContact O-N 3.07Å; E152-K155 WeakPolarHBondContact OE1-CD 3.43Å; E152-K155 WeakPolarHBondContact OE1-CE 3.43Å; E152-K155 IonicContact OE1-NZ 2.79Å; E152-K155 PolarHBondContact OE1-NZ 2.85Å; E152-K155 VanDerWaalsContact OE2-CD 3.25Å; E152-K155 WeakPolarHBondContact OE2-CD 3.27Å; E152-K155 IonicContact OE2-NZ 2.64Å; E152-K155 PolarHBondContact OE2-NZ 2.85Å
153M78.3Confident79.4Confident66 Ų6699.6 Ų99.633%0.32551%0.511SS..THydrogen-bonded Turntrans-54.2-28174.9-82.1166.755.100114.4A149 L151 K157 L165 L169A149-M153 VanDerWaalsContact O-CG 3.27Å; A149-M153 WeakPolarHBondContact O-CG 3.35Å; A149-M153 PolarHBondContact O-N 3.4Å; L151-M153 VanDerWaalsContact C-N 3.28Å; L151-M153 PolarHBondContact O-N 3.37Å; M153-K157 WeakPolarHBondContact O-CD 3.5Å; M153-K157 WeakPolarHBondContact O-CE 3.33Å; M153-K157 PolarHBondContact O-NZ 2.97Å; M153-L165 HydrophobicContact CB-CD2 4.3Å; M153-L165 VanDerWaalsContact O-CD2 3.25Å; M153-L165 WeakPolarHBondContact O-CD2 3.48Å; M153-L169 HydrophobicContact CE-CD1 3.84Å; M153-L169 HydrophobicContact CE-CD2 4.08Å
154F82.9Confident80.5Confident43 Ų43101.6 Ų101.619%0.18952%0.52CS..THydrogen-bonded Turntrans-106.2-1.5-179.8-69.1-63.4000114.3N150 L151 E152 R162 L165 I166 L169N150-F154 VanDerWaalsContact O-CD2 3.26Å; N150-F154 WeakPolarHBondContact O-CD2 3.13Å; L151-F154 PolarHBondContact O-N 2.93Å; E152-F154 PolarHBondContact O-N 3.4Å; E152-F154 VanDerWaalsContact O-N 3.08Å; F154-R162 HydrophobicContact CD1-CB 4.44Å; F154-R162 HydrophobicContact CD1-CG 3.79Å; F154-R162 HydrophobicContact CE1-CG 4.19Å; F154-R162 PolarHBondContact O-NH2 2.88Å; F154-L165 HydrophobicContact CD1-CD2 3.85Å; F154-L165 HydrophobicContact CE1-CB 4.04Å; F154-L165 HydrophobicContact CE1-CD2 3.65Å; F154-L165 HydrophobicContact CE1-CG 3.88Å; F154-L165 HydrophobicContact CZ-CD2 4.27Å; F154-L165 HydrophobicContact CZ-CG 4.38Å; F154-I166 HydrophobicContact CE1-CD1 4.38Å; F154-I166 HydrophobicContact CE1-CG1 3.79Å; F154-I166 HydrophobicContact CZ-CG1 3.89Å; F154-L169 HydrophobicContact CZ-CD1 3.97Å
155K81.2Confident81.5Confident126 Ų12696.8 Ų96.855%0.54850%0.498SS..SBendtrans-82.6144.5-176.5-171.2-178.4175.1-171.80110.6L151 E152 K157L151-K155 PolarHBondContact O-N 3.45Å; E152-K155 VanDerWaalsContact CD-CD 3.45Å; E152-K155 WeakPolarHBondContact O-CB 3.39Å; E152-K155 PolarHBondContact O-N 3.49Å; E152-K155 VanDerWaalsContact O-N 3.07Å; E152-K155 WeakPolarHBondContact OE1-CD 3.43Å; E152-K155 WeakPolarHBondContact OE1-CE 3.43Å; E152-K155 IonicContact OE1-NZ 2.79Å; E152-K155 PolarHBondContact OE1-NZ 2.85Å; E152-K155 VanDerWaalsContact OE2-CD 3.25Å; E152-K155 WeakPolarHBondContact OE2-CD 3.27Å; E152-K155 IonicContact OE2-NZ 2.64Å; E152-K155 PolarHBondContact OE2-NZ 2.85Å; K155-K157 PolarHBondContact O-N 3.01Å
156G76.8Confident82.5Confident88 Ų8890.6 Ų90.691%0.90748%0.478SS*.SBendtrans70.1-17.7-176.200000115.9
157K82.9Confident83.5Confident81 Ų8190.1 Ų90.135%0.35247%0.472SS..  trans-79.4140.9-179-69.4-178.4-175.3166.40113.2M153 K155 E161M153-K157 WeakPolarHBondContact O-CD 3.5Å; M153-K157 WeakPolarHBondContact O-CE 3.33Å; M153-K157 PolarHBondContact O-NZ 2.97Å; K155-K157 PolarHBondContact O-N 3.01Å; K157-E161 VanDerWaalsContact CA-OE2 3.26Å; K157-E161 WeakPolarHBondContact CA-OE2 3.25Å; K157-E161 HydrophobicContact CB-CB 4.01Å; K157-E161 HydrophobicContact CD-CB 4.46Å; K157-E161 HydrophobicContact CG-CB 4.41Å
158G86.8Confident84.5Confident38 Ų3889.8 Ų89.839%0.39247%0.473SS..  trans-65.2166.7174.100000113.2E160 E161 R162G158-E160 PolarHBondContact O-N 3.36Å; G158-E161 PolarHBondContact N-OE2 2.9Å; G158-E161 PolarHBondContact O-N 2.84Å; G158-R162 VanDerWaalsContact O-CB 3.29Å; G158-R162 WeakPolarHBondContact O-CB 3.49Å; G158-R162 PolarHBondContact O-N 3.07Å
159I86.9Confident85.5Confident131 Ų13190 Ų9067%0.67247%0.466SS*.Hα-helixtrans-63.6-28.8-178.1-163.9168.1000112.7Q163I159-Q163 VanDerWaalsContact O-CG 3.3Å; I159-Q163 WeakPolarHBondContact O-CG 3.3Å; I159-Q163 PolarHBondContact O-N 3.28Å; I159-Q163 PolarHBondContact O-NE2 2.87Å
160E87.8Confident86.4Confident141 Ų14195.1 Ų95.166%0.65948%0.475SS*.Hα-helixtrans-75.7-49.1176.5-58.9-172153.300111.7G158 R162 Q163 Q164G158-E160 PolarHBondContact O-N 3.36Å; E160-R162 VanDerWaalsContact C-N 3.26Å; E160-R162 PolarHBondContact O-N 3.2Å; E160-Q163 CarbonylContact O-C 3.59Å; E160-Q163 WeakPolarHBondContact O-CA 3.42Å; E160-Q163 WeakPolarHBondContact O-CB 3.45Å; E160-Q163 PolarHBondContact O-N 3.05Å; E160-Q164 WeakPolarHBondContact O-CG 3.32Å; E160-Q164 PolarHBondContact O-N 3.42Å
161E87.9Confident87.1Confident99 Ų9993.4 Ų93.446%0.46347%0.465SS..Hα-helixtrans-58.4-38.7174.1-62179.4112.900111.9K157 G158 Q163 Q164 L165K157-E161 VanDerWaalsContact CA-OE2 3.26Å; K157-E161 WeakPolarHBondContact CA-OE2 3.25Å; K157-E161 HydrophobicContact CB-CB 4.01Å; K157-E161 HydrophobicContact CD-CB 4.46Å; K157-E161 HydrophobicContact CG-CB 4.41Å; G158-E161 PolarHBondContact N-OE2 2.9Å; G158-E161 PolarHBondContact O-N 2.84Å; E161-Q163 VanDerWaalsContact C-N 3.35Å; E161-Q164 PolarHBondContact O-N 3.35Å; E161-L165 WeakPolarHBondContact O-CB 3.35Å; E161-L165 PolarHBondContact O-N 2.89Å
162R88.9Confident88Confident113 Ų11392.7 Ų92.743%0.42646%0.459SS..Hα-helixtrans-61.6-41.5173.4178.7172-66.4-162.6-0.5111.5F154 G158 E160 I166F154-R162 HydrophobicContact CD1-CB 4.44Å; F154-R162 HydrophobicContact CD1-CG 3.79Å; F154-R162 HydrophobicContact CE1-CG 4.19Å; F154-R162 PolarHBondContact O-NH2 2.88Å; G158-R162 VanDerWaalsContact O-CB 3.29Å; G158-R162 WeakPolarHBondContact O-CB 3.49Å; G158-R162 PolarHBondContact O-N 3.07Å; E160-R162 VanDerWaalsContact C-N 3.26Å; E160-R162 PolarHBondContact O-N 3.2Å; R162-I166 HydrophobicContact CG-CD1 4.06Å; R162-I166 WeakPolarHBondContact O-CB 3.39Å; R162-I166 WeakPolarHBondContact O-CD1 3.48Å; R162-I166 WeakPolarHBondContact O-CG1 3.35Å; R162-I166 PolarHBondContact O-N 3.24Å
163Q89.9Confident88.7Confident117 Ų11792.7 Ų92.755%0.54746%0.462SS..Hα-helixtrans-69.1-40175.3-75.6170.693.600112.4I159 E160 E161 I166 K167I159-Q163 VanDerWaalsContact O-CG 3.3Å; I159-Q163 WeakPolarHBondContact O-CG 3.3Å; I159-Q163 PolarHBondContact O-N 3.28Å; I159-Q163 PolarHBondContact O-NE2 2.87Å; E160-Q163 CarbonylContact O-C 3.59Å; E160-Q163 WeakPolarHBondContact O-CA 3.42Å; E160-Q163 WeakPolarHBondContact O-CB 3.45Å; E160-Q163 PolarHBondContact O-N 3.05Å; E161-Q163 VanDerWaalsContact C-N 3.35Å; Q163-I166 PolarHBondContact O-N 2.88Å; Q163-K167 PolarHBondContact O-N 2.8Å
164Q92.2Very high89.4Confident135 Ų13595.3 Ų95.363%0.63147%0.468SS*.Hα-helixtrans-61-45.8174.4-70175.68.300111.3E160 E161 I166 K167 Q168E160-Q164 WeakPolarHBondContact O-CG 3.32Å; E160-Q164 PolarHBondContact O-N 3.42Å; E161-Q164 PolarHBondContact O-N 3.35Å; Q164-I166 PolarHBondContact O-N 3.41Å; Q164-K167 WeakPolarHBondContact O-CB 3.47Å; Q164-K167 PolarHBondContact O-N 2.89Å; Q164-K167 VanDerWaalsContact O-N 3.11Å; Q164-Q168 PolarHBondContact O-N 2.94Å
165L91.4Very high89.9Confident22 Ų2299 Ų9912%0.11549%0.489CS..Hα-helixtrans-65.3-38.3176.6-174.161.1000112.2M153 F154 E161 K167 Q168 L169M153-L165 HydrophobicContact CB-CD2 4.3Å; M153-L165 VanDerWaalsContact O-CD2 3.25Å; M153-L165 WeakPolarHBondContact O-CD2 3.48Å; F154-L165 HydrophobicContact CD1-CD2 3.85Å; F154-L165 HydrophobicContact CE1-CB 4.04Å; F154-L165 HydrophobicContact CE1-CD2 3.65Å; F154-L165 HydrophobicContact CE1-CG 3.88Å; F154-L165 HydrophobicContact CZ-CD2 4.27Å; F154-L165 HydrophobicContact CZ-CG 4.38Å; E161-L165 WeakPolarHBondContact O-CB 3.35Å; E161-L165 PolarHBondContact O-N 2.89Å; L165-K167 VanDerWaalsContact C-N 3.31Å; L165-K167 PolarHBondContact O-N 3.11Å; L165-Q168 PolarHBondContact O-N 2.93Å; L165-L169 HydrophobicContact CD1-CD1 4.35Å; L165-L169 HydrophobicContact CD1-CG 4.36Å; L165-L169 HydrophobicContact CG-CD1 4.04Å; L165-L169 HydrophobicContact CG-CG 4.5Å; L165-L169 WeakPolarHBondContact O-CB 3.42Å; L165-L169 VanDerWaalsContact O-CG 3.28Å; L165-L169 WeakPolarHBondContact O-CG 3.29Å; L165-L169 PolarHBondContact O-N 3.22Å
166I90.7Very high90.6Very high57 Ų5797.2 Ų97.229%0.29248%0.483SS..Hα-helixtrans-62.7-37.2171.4-72.3164.8000111.3F154 R162 Q163 Q164 R170F154-I166 HydrophobicContact CE1-CD1 4.38Å; F154-I166 HydrophobicContact CE1-CG1 3.79Å; F154-I166 HydrophobicContact CZ-CG1 3.89Å; R162-I166 HydrophobicContact CG-CD1 4.06Å; R162-I166 WeakPolarHBondContact O-CB 3.39Å; R162-I166 WeakPolarHBondContact O-CD1 3.48Å; R162-I166 WeakPolarHBondContact O-CG1 3.35Å; R162-I166 PolarHBondContact O-N 3.24Å; Q163-I166 PolarHBondContact O-N 2.88Å; Q164-I166 PolarHBondContact O-N 3.41Å; I166-R170 WeakPolarHBondContact O-CB 3.25Å; I166-R170 WeakPolarHBondContact O-CD 3.27Å; I166-R170 WeakPolarHBondContact O-CG 3.46Å; I166-R170 PolarHBondContact O-N 2.9Å; I166-R170 VanDerWaalsContact O-N 3.16Å
167K93.3Very high91.5Very high91 Ų9197.7 Ų97.740%0.39646%0.461SS..Hα-helixtrans-64.4-51.9174-166.6-165.6-178.8-70.10110.6Q163 Q164 L165 L169 R170 D171 D426Q163-K167 PolarHBondContact O-N 2.8Å; Q164-K167 WeakPolarHBondContact O-CB 3.47Å; Q164-K167 PolarHBondContact O-N 2.89Å; Q164-K167 VanDerWaalsContact O-N 3.11Å; L165-K167 VanDerWaalsContact C-N 3.31Å; L165-K167 PolarHBondContact O-N 3.11Å; K167-L169 PolarHBondContact O-N 3.39Å; K167-R170 CarbonylContact O-C 3.58Å; K167-R170 WeakPolarHBondContact O-CA 3.49Å; K167-R170 WeakPolarHBondContact O-CB 3.36Å; K167-R170 PolarHBondContact O-N 3.15Å; K167-D171 IonicContact NZ-OD1 2.66Å; K167-D171 IonicContact NZ-OD2 2.62Å; K167-D171 PolarHBondContact NZ-OD2 2.94Å; K167-D171 VanDerWaalsContact O-CG 3.31Å; K167-D171 PolarHBondContact O-N 2.85Å; K167-D426 VanDerWaalsContact CE-OD2 3.3Å; K167-D426 WeakPolarHBondContact CE-OD2 3.28Å; K167-D426 IonicContact NZ-OD2 2.64Å; K167-D426 PolarHBondContact NZ-OD2 3.37Å
168Q94.2Very high92Very high120 Ų12096.7 Ų96.756%0.56147%0.468SS*.Hα-helixtrans-54-51.3179.6-176.8179.5-300111.8Q164 L165 R170 D171 E172Q164-Q168 PolarHBondContact O-N 2.94Å; L165-Q168 PolarHBondContact O-N 2.93Å; Q168-R170 VanDerWaalsContact C-N 3.27Å; Q168-R170 PolarHBondContact O-N 3.25Å; Q168-D171 PolarHBondContact O-N 3.16Å; Q168-E172 WeakPolarHBondContact O-CB 3.29Å; Q168-E172 PolarHBondContact O-N 2.71Å
169L94.3Very high92.4Very high56 Ų56101.9 Ų101.929%0.29348%0.476SS..Hα-helixtrans-63.2-31.1178.7-67.5167.5000112.8M153 F154 L165 K167 L173M153-L169 HydrophobicContact CE-CD1 3.84Å; M153-L169 HydrophobicContact CE-CD2 4.08Å; F154-L169 HydrophobicContact CZ-CD1 3.97Å; L165-L169 HydrophobicContact CD1-CD1 4.35Å; L165-L169 HydrophobicContact CD1-CG 4.36Å; L165-L169 HydrophobicContact CG-CD1 4.04Å; L165-L169 HydrophobicContact CG-CG 4.5Å; L165-L169 WeakPolarHBondContact O-CB 3.42Å; L165-L169 VanDerWaalsContact O-CG 3.28Å; L165-L169 WeakPolarHBondContact O-CG 3.29Å; L165-L169 PolarHBondContact O-N 3.22Å; K167-L169 PolarHBondContact O-N 3.39Å; L169-L173 VanDerWaalsContact O-CB 3.27Å; L169-L173 WeakPolarHBondContact O-CB 3.32Å; L169-L173 PolarHBondContact O-N 3.38Å
170R92.7Very high92.9Very high159 Ų15998.7 Ų98.760%0.646%0.46SS*.Hα-helixtrans-75.7-27.8173.7-74.2169.7174.9179.9-0.4113.2I166 K167 Q168 R174I166-R170 WeakPolarHBondContact O-CB 3.25Å; I166-R170 WeakPolarHBondContact O-CD 3.27Å; I166-R170 WeakPolarHBondContact O-CG 3.46Å; I166-R170 PolarHBondContact O-N 2.9Å; I166-R170 VanDerWaalsContact O-N 3.16Å; K167-R170 CarbonylContact O-C 3.58Å; K167-R170 WeakPolarHBondContact O-CA 3.49Å; K167-R170 WeakPolarHBondContact O-CB 3.36Å; K167-R170 PolarHBondContact O-N 3.15Å; Q168-R170 VanDerWaalsContact C-N 3.27Å; Q168-R170 PolarHBondContact O-N 3.25Å; R170-R174 VanDerWaalsContact C-NH2 3.25Å; R170-R174 VanDerWaalsContact O-CZ 3.3Å; R170-R174 PolarHBondContact O-N 3.43Å; R170-R174 PolarHBondContact O-NE 2.8Å; R170-R174 PolarHBondContact O-NH2 3.41Å
171D93.2Very high93.3Very high48 Ų4895.6 Ų95.626%0.25745%0.45SS..Hα-helixtrans-77.8-42.9176-65.3-32.6000109.9K167 Q168 R174 L175K167-D171 IonicContact NZ-OD1 2.66Å; K167-D171 IonicContact NZ-OD2 2.62Å; K167-D171 PolarHBondContact NZ-OD2 2.94Å; K167-D171 VanDerWaalsContact O-CG 3.31Å; K167-D171 PolarHBondContact O-N 2.85Å; Q168-D171 PolarHBondContact O-N 3.16Å; D171-R174 WeakPolarHBondContact O-CB 3.17Å; D171-R174 PolarHBondContact O-N 3.47Å; D171-R174 IonicContact OD1-CZ 2.97Å; D171-R174 IonicContact OD1-NH1 3.47Å; D171-R174 PolarHBondContact OD1-NH1 2.78Å; D171-R174 IonicContact OD1-NH2 3.18Å; D171-R174 PolarHBondContact OD1-NH2 3.14Å; D171-L175 PolarHBondContact O-N 2.81Å
172E94.3Very high93.6Very high111 Ų11196.7 Ų96.752%0.51946%0.459SS..Hα-helixtrans-61.4-44.8173.8-173.2172.6-168.300112.1Q168 R174 L175 E176Q168-E172 WeakPolarHBondContact O-CB 3.29Å; Q168-E172 PolarHBondContact O-N 2.71Å; E172-R174 VanDerWaalsContact C-N 3.33Å; E172-R174 PolarHBondContact O-N 2.84Å; E172-L175 WeakPolarHBondContact O-CB 3.4Å; E172-L175 PolarHBondContact O-N 3.46Å; E172-L175 VanDerWaalsContact O-N 3.15Å; E172-E176 PolarHBondContact O-N 3.4Å
173L96.4Very high93.9Very high105 Ų10595.9 Ų95.955%0.5546%0.462SS..Hα-helixtrans-58.2-43.1173.2179.162.1000112.1L169 L175 E176 E177L169-L173 VanDerWaalsContact O-CB 3.27Å; L169-L173 WeakPolarHBondContact O-CB 3.32Å; L169-L173 PolarHBondContact O-N 3.38Å; L173-L175 VanDerWaalsContact C-N 3.31Å; L173-L175 PolarHBondContact O-N 3.05Å; L173-E176 PolarHBondContact O-N 3.16Å; L173-E177 HydrophobicContact CD1-CG 4.42Å; L173-E177 WeakPolarHBondContact O-CB 3.48Å; L173-E177 WeakPolarHBondContact O-CG 3.26Å; L173-E177 PolarHBondContact O-N 3.36Å
174R93.7Very high94.2Very high120 Ų12095.1 Ų95.145%0.45346%0.457SS..Hα-helixtrans-64-34.8176.9-98.2176-80.9132.14.3112.5R170 D171 E172 A178R170-R174 VanDerWaalsContact C-NH2 3.25Å; R170-R174 VanDerWaalsContact O-CZ 3.3Å; R170-R174 PolarHBondContact O-N 3.43Å; R170-R174 PolarHBondContact O-NE 2.8Å; R170-R174 PolarHBondContact O-NH2 3.41Å; D171-R174 WeakPolarHBondContact O-CB 3.17Å; D171-R174 PolarHBondContact O-N 3.47Å; D171-R174 IonicContact OD1-CZ 2.97Å; D171-R174 IonicContact OD1-NH1 3.47Å; D171-R174 PolarHBondContact OD1-NH1 2.78Å; D171-R174 IonicContact OD1-NH2 3.18Å; D171-R174 PolarHBondContact OD1-NH2 3.14Å; E172-R174 VanDerWaalsContact C-N 3.33Å; E172-R174 PolarHBondContact O-N 2.84Å; R174-A178 WeakPolarHBondContact O-CB 3.47Å; R174-A178 PolarHBondContact O-N 3.5Å
175L93.3Very high94.3Very high122 Ų12295.1 Ų95.164%0.63946%0.455SS*.Hα-helixtrans-67.2-46.2176.8-175.463.3000111.5D171 E172 L173 A178 R179D171-L175 PolarHBondContact O-N 2.81Å; E172-L175 WeakPolarHBondContact O-CB 3.4Å; E172-L175 PolarHBondContact O-N 3.46Å; E172-L175 VanDerWaalsContact O-N 3.15Å; L173-L175 VanDerWaalsContact C-N 3.31Å; L173-L175 PolarHBondContact O-N 3.05Å; L175-A178 PolarHBondContact O-N 2.83Å; L175-R179 WeakPolarHBondContact O-CB 3.45Å; L175-R179 PolarHBondContact O-N 3.31Å
176E95.3Very high94.3Very high88 Ų8898.6 Ų98.641%0.41147%0.473SS..Hα-helixtrans-71.2-32.3176.8-77.5-60.7139.700112.9E172 L173 R179 L180E172-E176 PolarHBondContact O-N 3.4Å; L173-E176 PolarHBondContact O-N 3.16Å; E176-R179 PolarHBondContact O-N 2.95Å; E176-R179 WeakPolarHBondContact OE1-CD 3.28Å; E176-R179 IonicContact OE1-CZ 3.75Å; E176-R179 IonicContact OE1-NE 2.68Å; E176-R179 IonicContact OE1-NH1 3.16Å; E176-R179 PolarHBondContact OE1-NH1 3.27Å; E176-R179 VanDerWaalsContact OE2-CD 3.23Å; E176-R179 WeakPolarHBondContact OE2-CD 3.33Å; E176-L180 VanDerWaalsContact O-CB 3.28Å; E176-L180 WeakPolarHBondContact O-CB 3.16Å; E176-L180 PolarHBondContact O-N 2.88Å
177E95.5Very high94.4Very high98 Ų98103.9 Ų103.946%0.45849%0.49SS..Hα-helixtrans-60.1-45.4168.2-77.7-175.9148.500111.7L173 L180 V181L173-E177 HydrophobicContact CD1-CG 4.42Å; L173-E177 WeakPolarHBondContact O-CB 3.48Å; L173-E177 WeakPolarHBondContact O-CG 3.26Å; L173-E177 PolarHBondContact O-N 3.36Å; E177-L180 PolarHBondContact O-N 3.33Å; E177-V181 WeakPolarHBondContact O-CG2 3Å; E177-V181 PolarHBondContact O-N 3.46Å
178A92.8Very high94.2Very high60 Ų60105 Ų10550%0.49650%0.496SS..Hα-helixtrans-64.1-41.7176.500000112R174 L175 V181 L182R174-A178 WeakPolarHBondContact O-CB 3.47Å; R174-A178 PolarHBondContact O-N 3.5Å; L175-A178 PolarHBondContact O-N 2.83Å; A178-V181 PolarHBondContact O-N 3.03Å; A178-L182 PolarHBondContact O-N 3.05Å
179R96.8Very high93.9Very high146 Ų146101.6 Ų101.655%0.55149%0.486SS*.Hα-helixtrans-60-45.6174.1-168.1-174.3-161.8152.64.5111.7L175 E176 V181 L182 L183L175-R179 WeakPolarHBondContact O-CB 3.45Å; L175-R179 PolarHBondContact O-N 3.31Å; E176-R179 PolarHBondContact O-N 2.95Å; E176-R179 WeakPolarHBondContact OE1-CD 3.28Å; E176-R179 IonicContact OE1-CZ 3.75Å; E176-R179 IonicContact OE1-NE 2.68Å; E176-R179 IonicContact OE1-NH1 3.16Å; E176-R179 PolarHBondContact OE1-NH1 3.27Å; E176-R179 VanDerWaalsContact OE2-CD 3.23Å; E176-R179 WeakPolarHBondContact OE2-CD 3.33Å; R179-V181 VanDerWaalsContact C-N 3.34Å; R179-V181 PolarHBondContact O-N 3.35Å; R179-L182 PolarHBondContact O-N 3.1Å; R179-L183 HydrophobicContact CG-CD1 4.24Å; R179-L183 WeakPolarHBondContact O-CG 3.49Å; R179-L183 PolarHBondContact O-N 3.47Å
180L95.8Very high93.4Very high64 Ų64104.7 Ų104.734%0.33550%0.499SS..Hα-helixtrans-64.9-36.2177.7-176.361.5000112A39 E176 E177 K184A39-L180 HydrophobicContact CB-CD2 4.26Å; E176-L180 VanDerWaalsContact O-CB 3.28Å; E176-L180 WeakPolarHBondContact O-CB 3.16Å; E176-L180 PolarHBondContact O-N 2.88Å; E177-L180 PolarHBondContact O-N 3.33Å; L180-K184 HydrophobicContact CG-CD 4.21Å; L180-K184 WeakPolarHBondContact O-CB 3.03Å; L180-K184 VanDerWaalsContact O-CG 3.23Å; L180-K184 WeakPolarHBondContact O-CG 3.49Å; L180-K184 PolarHBondContact O-N 3.45Å
181V96Very high93.1Very high77 Ų77101 Ų10147%0.46749%0.49SS..Hα-helixtrans-65.3-42.2172.3168.60000111.5E177 A178 R179 K184 K185E177-V181 WeakPolarHBondContact O-CG2 3Å; E177-V181 PolarHBondContact O-N 3.46Å; A178-V181 PolarHBondContact O-N 3.03Å; R179-V181 VanDerWaalsContact C-N 3.34Å; R179-V181 PolarHBondContact O-N 3.35Å; V181-K184 PolarHBondContact O-N 2.85Å; V181-K185 HydrophobicContact CG1-CD 4.48Å; V181-K185 WeakPolarHBondContact O-CG 3.36Å; V181-K185 PolarHBondContact O-N 2.77Å
182L95.2Very high92.1Very high121 Ų121104.2 Ų104.263%0.63450%0.504SS*.Hα-helixtrans-62.9-47.2175.9-179.661000111.6A178 R179 K184 K185 L186A178-L182 PolarHBondContact O-N 3.05Å; R179-L182 PolarHBondContact O-N 3.1Å; L182-K184 PolarHBondContact O-N 2.89Å; L182-K185 PolarHBondContact O-N 3.32Å; L182-L186 WeakPolarHBondContact O-CB 3.22Å; L182-L186 PolarHBondContact O-N 2.95Å
183L95.4Very high90.8Very high97 Ų97106.1 Ų106.151%0.50851%0.51SS..Hα-helixtrans-61.4-41176.6-71.5168.7000112.2R179 L186 R187R179-L183 HydrophobicContact CG-CD1 4.24Å; R179-L183 WeakPolarHBondContact O-CG 3.49Å; R179-L183 PolarHBondContact O-N 3.47Å; L183-L186 PolarHBondContact O-N 3.14Å; L183-R187 WeakPolarHBondContact O-CB 3.47Å; L183-R187 PolarHBondContact O-N 3.26Å
184K95.4Very high88.9Confident100 Ų100106 Ų10644%0.43551%0.507SS..Hα-helixtrans-61.9-43.8173.8-77.8169.6178.9172.10112L180 V181 L182 R187 Q188L180-K184 HydrophobicContact CG-CD 4.21Å; L180-K184 WeakPolarHBondContact O-CB 3.03Å; L180-K184 VanDerWaalsContact O-CG 3.23Å; L180-K184 WeakPolarHBondContact O-CG 3.49Å; L180-K184 PolarHBondContact O-N 3.45Å; V181-K184 PolarHBondContact O-N 2.85Å; L182-K184 PolarHBondContact O-N 2.89Å; K184-R187 PolarHBondContact O-N 2.83Å; K184-Q188 WeakPolarHBondContact O-CB 3.48Å; K184-Q188 PolarHBondContact O-N 3.14Å
185K94.3Very high87.2Confident135 Ų135103.4 Ų103.459%0.58750%0.502SS*.Hα-helixtrans-65.2-40.6175.4-75.6-177.2177.2-176.10112.5V181 L182 Q188 S189V181-K185 HydrophobicContact CG1-CD 4.48Å; V181-K185 WeakPolarHBondContact O-CG 3.36Å; V181-K185 PolarHBondContact O-N 2.77Å; L182-K185 PolarHBondContact O-N 3.32Å; K185-Q188 PolarHBondContact O-N 2.92Å; K185-S189 PolarHBondContact O-N 2.94Å
186L92.3Very high85.4Confident96 Ų96103 Ų10350%0.50351%0.505SS..Hα-helixtrans-62.4-46.7176.2-178.661.4000111.2L182 L183 Q188 S189 Q190L182-L186 WeakPolarHBondContact O-CB 3.22Å; L182-L186 PolarHBondContact O-N 2.95Å; L183-L186 PolarHBondContact O-N 3.14Å; L186-Q188 PolarHBondContact O-N 3.03Å; L186-S189 PolarHBondContact O-N 2.93Å; L186-Q190 PolarHBondContact O-N 3.26Å
187R92.8Very high83.4Confident168 Ų168104.3 Ų104.363%0.63452%0.519SS*.Hα-helixtrans-62.8-40.3175.7-171176.1-176.7171.53.9112.2L183 K184 Q190 L191L183-R187 WeakPolarHBondContact O-CB 3.47Å; L183-R187 PolarHBondContact O-N 3.26Å; K184-R187 PolarHBondContact O-N 2.83Å; R187-Q190 PolarHBondContact O-N 3.5Å; R187-L191 HydrophobicContact CG-CD1 4.12Å; R187-L191 WeakPolarHBondContact O-CB 3.39Å; R187-L191 WeakPolarHBondContact O-CG 3.39Å; R187-L191 PolarHBondContact O-N 3.32Å
188Q89.6Confident81.6Confident114 Ų114106.6 Ų106.653%0.53353%0.529SS..Hα-helixtrans-61.8-41.9174.1-175.3177.842.900111.7K184 K185 L186 L191 Q192K184-Q188 WeakPolarHBondContact O-CB 3.48Å; K184-Q188 PolarHBondContact O-N 3.14Å; K185-Q188 PolarHBondContact O-N 2.92Å; L186-Q188 PolarHBondContact O-N 3.03Å; Q188-L191 PolarHBondContact O-N 2.98Å; Q188-Q192 WeakPolarHBondContact O-CB 3.17Å; Q188-Q192 VanDerWaalsContact O-CG 3.31Å; Q188-Q192 WeakPolarHBondContact O-CG 3.45Å; Q188-Q192 PolarHBondContact O-N 3.29Å
189S87.1Confident79.2Confident49 Ų49110.9 Ų110.934%0.34354%0.536SS..Hα-helixtrans-64.5-40177.3-171.80000112.4K185 L186 Q192 K193K185-S189 PolarHBondContact O-N 2.94Å; L186-S189 PolarHBondContact O-N 2.93Å; S189-Q192 PolarHBondContact O-N 3.05Å; S189-K193 WeakPolarHBondContact O-CG 3.32Å; S189-K193 PolarHBondContact O-N 3.13Å
190Q83.8Confident76.4Confident120 Ų120109.1 Ų109.156%0.56154%0.542SS*.Hα-helixtrans-64-50.4174.1-68.8-174.350.200111.6L186 R187 Q192 K193 E194L186-Q190 PolarHBondContact O-N 3.26Å; R187-Q190 PolarHBondContact O-N 3.5Å; Q190-Q192 PolarHBondContact O-N 3.31Å; Q190-K193 PolarHBondContact O-N 2.8Å; Q190-K193 VanDerWaalsContact O-N 3.08Å; Q190-E194 PolarHBondContact O-N 3.36Å
191L85.2Confident73.8Confident82 Ų82111.9 Ų111.943%0.42956%0.564SS.*Hα-helixtrans-59.8-32.6177.6-72.7167.5000113.1R187 Q188 N195R187-L191 HydrophobicContact CG-CD1 4.12Å; R187-L191 WeakPolarHBondContact O-CB 3.39Å; R187-L191 WeakPolarHBondContact O-CG 3.39Å; R187-L191 PolarHBondContact O-N 3.32Å; Q188-L191 PolarHBondContact O-N 2.98Å; L191-N195 VanDerWaalsContact O-CB 3.31Å; L191-N195 WeakPolarHBondContact O-CB 3.41Å; L191-N195 PolarHBondContact O-N 3.36Å; L191-N195 PolarHBondContact O-ND2 3.3Å
192Q72.8Confident70.8Confident116 Ų116115 Ų11554%0.54258%0.583SS.*Hα-helixtrans-70.8-42.6173.5-77.7175.5-11.700112.4Q188 S189 Q190 E194 N195 V196Q188-Q192 WeakPolarHBondContact O-CB 3.17Å; Q188-Q192 VanDerWaalsContact O-CG 3.31Å; Q188-Q192 WeakPolarHBondContact O-CG 3.45Å; Q188-Q192 PolarHBondContact O-N 3.29Å; S189-Q192 PolarHBondContact O-N 3.05Å; Q190-Q192 PolarHBondContact O-N 3.31Å; Q192-E194 VanDerWaalsContact C-N 3.35Å; Q192-N195 PolarHBondContact O-N 3.35Å; Q192-V196 WeakPolarHBondContact O-CG2 3.3Å; Q192-V196 PolarHBondContact O-N 3.06Å; Q192-V196 VanDerWaalsContact O-N 3.1Å
193K66.6Low68.2Low150 Ų150114.7 Ų114.765%0.65259%0.586SS**Hα-helixtrans-61.8-43.4174.7-73.1177-179.8-175.30111.5S189 Q190 V196 V197S189-K193 WeakPolarHBondContact O-CG 3.32Å; S189-K193 PolarHBondContact O-N 3.13Å; Q190-K193 PolarHBondContact O-N 2.8Å; Q190-K193 VanDerWaalsContact O-N 3.08Å; K193-V196 PolarHBondContact O-N 2.7Å; K193-V197 PolarHBondContact O-N 2.68Å
194E58Low65.6Low102 Ų102119 Ų11948%0.47760%0.603SS.*Hα-helixtrans-62.8-44.4176.2-166.1-175.9129.300111.9Q190 Q192 V196 V197 Q198Q190-E194 PolarHBondContact O-N 3.36Å; Q192-E194 VanDerWaalsContact C-N 3.35Å; E194-V196 VanDerWaalsContact C-N 3.26Å; E194-V196 PolarHBondContact O-N 3.39Å; E194-V197 PolarHBondContact O-N 3.37Å; E194-V197 VanDerWaalsContact O-N 3.11Å; E194-Q198 PolarHBondContact O-N 2.85Å
195N56.7Low62.7Low66 Ų66121.8 Ų121.835%0.35362%0.623SS.*Hα-helixtrans-64.1-26.4176.4-93.9-102.7000113.9L191 Q192 K199L191-N195 VanDerWaalsContact O-CB 3.31Å; L191-N195 WeakPolarHBondContact O-CB 3.41Å; L191-N195 PolarHBondContact O-N 3.36Å; L191-N195 PolarHBondContact O-ND2 3.3Å; Q192-N195 PolarHBondContact O-N 3.35Å; N195-K199 WeakPolarHBondContact O-CB 3.46Å; N195-K199 WeakPolarHBondContact O-CD 3.39Å; N195-K199 WeakPolarHBondContact O-CG 3.13Å; N195-K199 PolarHBondContact OD1-NZ 3.33Å
196V56.1Low59.9Low115 Ų115120 Ų12070%0.69763%0.633SS**Hα-helixtrans-76.3-32.3174.3168.60000111.4Q192 K193 E194Q192-V196 WeakPolarHBondContact O-CG2 3.3Å; Q192-V196 PolarHBondContact O-N 3.06Å; Q192-V196 VanDerWaalsContact O-N 3.1Å; K193-V196 PolarHBondContact O-N 2.7Å; E194-V196 VanDerWaalsContact C-N 3.26Å; E194-V196 PolarHBondContact O-N 3.39Å
197V54.1Low57.5Low115 Ų115119.6 Ų119.670%0.69764%0.644SS**Hα-helixtrans-76.9-34.2178.3174.40000112.3K193 E194K193-V197 PolarHBondContact O-N 2.68Å; E194-V197 PolarHBondContact O-N 3.37Å; E194-V197 VanDerWaalsContact O-N 3.11Å
198Q56Low54.9Low146 Ų146116.9 Ų116.968%0.68265%0.651SS**SBendtrans-90.74.4-177.7-68.7-175.3-4.500115.3E194E194-Q198 PolarHBondContact O-N 2.85Å
199K42.9Very low52.6Low149 Ų149118.9 Ų118.965%0.64866%0.663SS**  trans-119.241.9-175.5-72.7177.5172.3162.60114.8N195N195-K199 WeakPolarHBondContact O-CB 3.46Å; N195-K199 WeakPolarHBondContact O-CD 3.39Å; N195-K199 WeakPolarHBondContact O-CG 3.13Å; N195-K199 PolarHBondContact OD1-NZ 3.33Å
200T38.9Very low50.4Low110 Ų110122.4 Ų122.468%0.67568%0.682SS**  trans-92.9119.4159.745.40000110.5V202T200-V202 PolarHBondContact O-N 2.88Å
201P40.4Very low48.3Very low121 Ų121124.8 Ų124.879%0.78669%0.694SS**  trans-74.2120.1-178.429.1-33.6000111.8V203P201-V203 PolarHBondContact O-N 3.02Å
202V34.2Very low46.1Very low143 Ų143125.6 Ų125.687%0.86770%0.704SS**  trans-80.794.1173.3175.60000109.7T200T200-V202 PolarHBondContact O-N 2.88Å
203V39.8Very low44.3Very low115 Ų115125.4 Ų125.470%0.69772%0.715SS**  trans-148.8143.3163.7-156.50000109.2P201P201-V203 PolarHBondContact O-N 3.02Å
204Q41.5Very low43.2Very low187 Ų187123.8 Ų123.887%0.87472%0.72SS**  trans69.2128.1178.7-44.4-179.96.200113
205N34.7Very low42.4Very low158 Ų158123.6 Ų123.685%0.84574%0.736SS**  cis-141.8142.623.6-167.829.6000111.2
206A34.9Very low41.7Very low97 Ų97128.6 Ų128.680%0.80276%0.757SS**  trans-126.8135.2179.100000110.7
207A40.4Very low41Very low88 Ų88129.2 Ų129.273%0.72776%0.761SS**  trans-135.1108.4179.700000111.4
208S38.9Very low40.4Very low111 Ų111127 Ų12778%0.77676%0.761SS**  trans57.5113145.7-50.50000119.9
209I40.8Very low39.8Very low156 Ų156128.7 Ų128.780%0.877%0.769SS**  169.5126.8110.4-90.9160.3000112.1
210V40.6Very low39.6Very low123 Ų123130.7 Ų130.775%0.74578%0.78SS**  trans64.2134.3155164.30000117.4
211Q40.2Very low39.8Very low171 Ų171128.6 Ų128.680%0.79978%0.781SS**  cis-156.3-167.4-3.5-124.5-172.1-2700110.7
212P39.1Very low40Very low99 Ų99130.5 Ų130.564%0.64378%0.783SS**  trans-130.3164.2-130.944.5-27000120
213S35.2Very low40.3Very low111 Ų111127.9 Ų127.978%0.77677%0.771SS**  trans69.5164.3137.8-790000121.7
214P43.7Very low40.2Very low117 Ų117131.4 Ų131.476%0.7678%0.777SS**  cis-141.5176.3-21.435.5-15.6000117.6
215A40.5Very low40.3Very low97 Ų97129.8 Ų129.880%0.80277%0.774SS**  trans74.5117.6141.800000124.4
216H42.7Very low40.6Very low172 Ų172127.5 Ų127.580%0.79677%0.768SS**  165.991.8121.2-172.5-71.8000111.1
217V41.5Very low40.6Very low128 Ų128128.7 Ų128.778%0.77677%0.77SS**  79.1122.487.1170.70000116.7
218G40.3Very low40.6Very low68 Ų68135.9 Ų135.970%0.70178%0.778SS**  trans97.5159.1166.700000116.6
219Q44.2Very low40.8Very low181 Ų181135.5 Ų135.585%0.84677%0.773SS**  cis-151.8129.6-26.3-73.8-159.926.100107
220Q39.4Very low40.8Very low192 Ų192131.7 Ų131.790%0.89777%0.773SS**  75.8129.680-64.9-162.520.800118.4
221G43.3Very low40.9Very low66 Ų66130 Ų13068%0.6877%0.771SS**  trans132.492.7175.400000113.3
222L43.8Very low40.8Very low161 Ų161131.4 Ų131.484%0.84378%0.778SS**  71.3131.665.6-57.1170.2000113.6
223S40Very low40.9Very low87 Ų87129.9 Ų129.961%0.60878%0.78SS**  cis-173175.9-2.1-95.10000112.8
224K38.8Very low41.3Very low190 Ų190131.9 Ų131.983%0.82679%0.788SS**  trans86.4143.6158.2-50.2-170.4179.8177.20117.9
225L44.2Very low41.2Very low152 Ų152134.2 Ų134.280%0.79679%0.788SS**  cis-151.8-177.6-12.5-128.888.4000108.4
226P40.2Very low41.5Very low111 Ų111133.8 Ų133.872%0.72178%0.777SS**  trans-134.1-161.9-141.440.7-16.8000116.5
227S34.9Very low41.7Very low122 Ų122134.5 Ų134.585%0.85378%0.781SS**  trans-152136.7168.2-69.60000113.2
228R40.2Very low41.6Very low238 Ų238134.6 Ų134.690%0.89878%0.777SS**  trans-179.8179.9-179.9-123.8-165.2150.6-127.8-1.6109
229P42.5Very low41.6Very low103 Ų103137.4 Ų137.467%0.66978%0.775SS**  cis-136.5173-24.838.9-22.4000116.1
230G41.5Very low41.6Very low77 Ų77139.6 Ų139.679%0.79478%0.776SS**  trans122.9151.1145.600000117.7
231A41.9Very low41.5Very low86 Ų86135.4 Ų135.471%0.71176%0.764SS**  cis-165.4157.7-13.400000112.7
232Q39.5Very low41.5Very low201 Ų201139.7 Ų139.794%0.93977%0.77SS**  trans65.5142.6162.5-63.3162.3-18.100118.8
233G41.4Very low41.3Very low67 Ų67140 Ų14069%0.69177%0.767SS**  cis172.4169.2-10.400000113.8
234V43.7Very low41.7Very low154 Ų154139.5 Ų139.593%0.93378%0.776SS**  trans74.3154.8168.2-177.60000116.7
235E40.1Very low41.9Very low165 Ų165138 Ų13877%0.77177%0.771SS**  cis-167.3153.1-48.7-136.3-81.5135.600109.2
236P47.6Very low41.5Very low89 Ų89135.4 Ų135.458%0.57877%0.766SS**  trans-132.7166.1-164.440.4-22.7000119.3
237Q47.8Very low41.5Very low187 Ų187135.9 Ų135.987%0.87477%0.767SS**  trans-154170171-76.9-167.3-7.500113.5
238N37.8Very low41.8Very low129 Ų129136.5 Ų136.569%0.6976%0.759SS**  -168.7142.7-57.4-118.5-52.9000112.2
239L42Very low41.9Very low127 Ų127135.6 Ų135.667%0.66576%0.756SS**  trans47.7126.2153-60.8163.7000123.8
240R42.8Very low41.9Very low227 Ų227136.2 Ų136.286%0.85776%0.762SS**  160.1168.1107.9-85.2-172-179.588.2-3.1112.1
241T37.2Very low41.7Very low104 Ų104136.8 Ų136.864%0.63876%0.76SS**  cis166.1130.5-45.6-78.80000108.2
242L44.2Very low41.8Very low157 Ų157140 Ų14082%0.82277%0.77SS**  trans154.2118.2157.3-86.5152.4000107.6
243Q39.9Very low41.6Very low167 Ų167137.4 Ų137.478%0.7876%0.763SS**  79.5123.550.4-73.4-167.2-19.800115.6
244G48.5Very low41.5Very low76 Ų76139.4 Ų139.478%0.78476%0.762SS**  trans178.473.4-174.500000115.3
245H41.4Very low41.1Very low159 Ų159138 Ų13874%0.73675%0.754SS**  trans-15.4130.5163.3-57.296.2000121.3
246S35.6Very low41.1Very low98 Ų98137.5 Ų137.569%0.68576%0.756SS**  29.7164.3113.8530000121.5
247V41.7Very low41.1Very low121 Ų121139.9 Ų139.973%0.73377%0.771SS**  cis-162.5152.234-142.80000114.7
248I41.3Very low40.6Very low134 Ų134138.3 Ų138.369%0.68776%0.763SS**  trans81.1135.7136.6-108.7171.3000125.1
249R42.4Very low40.5Very low220 Ų220139.3 Ų139.383%0.8377%0.766SS**  trans62.7153.3155.6-74174.8-178.8164.7-0.7119.9
250S40.9Very low41Very low115 Ų115140.6 Ų140.680%0.80477%0.772SS**  cis-148.3168.6-1.8-122.50000111.5
251A37.6Very low40.9Very low90 Ų90138 Ų13874%0.74477%0.772SS**  trans-105.7156.2-174.400000114.8
252T43.8Very low41Very low153 Ų153137.9 Ų137.994%0.93978%0.776SS**  trans-158.8167.3138.55.50000109.6
253N36.4Very low40.8Very low146 Ų146137.1 Ų137.178%0.78177%0.768SS**  trans-113.9178.2-163.9-165.59.3000112.3
254T38Very low41Very low110 Ų110139 Ų13968%0.67577%0.768SS**  trans95124.8163.768.80000119.7
255T35.8Very low40.2Very low123 Ų123142 Ų14276%0.75577%0.771SS**  trans65.4116.8146.745.10000122.6
256L41.3Very low40.1Very low156 Ų156142.2 Ų142.282%0.81778%0.776SS**  trans66.7108.5140.7-57.4173.3000119.1H258L256-H258 PolarHBondContact O-N 3.19Å
257P46.1Very low40.1Very low139 Ų139141.4 Ų141.490%0.90378%0.775SS**  trans-83.6110170.932.7-31.2000112
258H38.8Very low40.5Very low153 Ų153141.7 Ų141.771%0.70878%0.779SS**  trans-112.6116.1166.3-179.3-113.1000110.5L256L256-H258 PolarHBondContact O-N 3.19Å
259M35Very low40.3Very low150 Ų150141.5 Ų141.574%0.73978%0.779SS**  trans72.1176.4147-115.2-160.5-156.800122.1
260L52.2Low40.1Very low154 Ų154137.2 Ų137.281%0.80678%0.78SS**  trans96.8125.9157.3-79.2160.9000120
261M41.8Very low39.9Very low172 Ų172134.5 Ų134.585%0.84777%0.765SS**  trans-76.5172.9173.2-69.781.9160.400112.6
262S37.7Very low40Very low103 Ų103138 Ų13872%0.7277%0.765SS**  trans85.4119.3158.1-150.30000114.6
263Q40.3Very low40.1Very low140 Ų140138.5 Ų138.565%0.65476%0.762SS**  -160.1153.373.5-97.117389.100116.1
264R44.1Very low40Very low208 Ų208140.4 Ų140.479%0.78577%0.766SS**  trans64.288.1152.1-63.3168.6-153.7-140.94.1117.6
265V32.1Very low39.8Very low139 Ų139138.5 Ų138.584%0.84277%0.768SS**  trans-69.8133.1155.1175.50000109.9
266I40Very low40Very low163 Ų163140.4 Ų140.484%0.83677%0.769SS**  trans-133.3118.5160.2-61.3178.2000106.8
267A35.3Very low39.7Very low80 Ų80144 Ų14466%0.66177%0.771SS**PPolyproline II helixtrans-102.4135.3-175.400000111.8N269A267-N269 PolarHBondContact O-N 3.33Å
268P50.5Low39.1Very low127 Ų127140.6 Ų140.683%0.82576%0.762SS**PPolyproline II helixtrans-74.6119167.9-12.528.6000110.8
269N35.9Very low39.5Very low130 Ų130139.7 Ų139.770%0.69577%0.769SS**PPolyproline II helixtrans-78.7128.9173.9177.931.9000110.8A267 A271A267-N269 PolarHBondContact O-N 3.33Å; N269-A271 VanDerWaalsContact C-N 3.31Å; N269-A271 PolarHBondContact O-N 2.78Å
270P37.9Very low40Very low130 Ų130138 Ų13884%0.84477%0.77SS**SBendtrans-79.870.4178.933.2-36.7000112.7
271A37.4Very low39.5Very low58 Ų58140.3 Ų140.348%0.47977%0.773SS.*  trans-154.7155.5171.100000113.1N269N269-A271 VanDerWaalsContact C-N 3.31Å; N269-A271 PolarHBondContact O-N 2.78Å
272Q39Very low39.4Very low163 Ų163138.1 Ų138.176%0.76277%0.772SS**  trans78.7158.4176.9-47.6-59-16.300117.4
273L46.3Very low39.5Very low165 Ų165136.8 Ų136.886%0.86477%0.774SS**  trans67.199178.5-46.2-178.5000114.5
274Q34.2Very low39.9Very low186 Ų186138 Ų13887%0.86978%0.784SS**  cis82.7110.115.7-166.2174.6-17.600117.8
275G34.8Very low39.7Very low70 Ų70133.8 Ų133.872%0.72278%0.781SS**  trans97.1137.7168.400000114.3
276Q38.4Very low39.9Very low163 Ų163137.5 Ų137.576%0.76278%0.78SS**  cis-151.3176.3-4.6-48.3-179.93.400107.9
277R35.1Very low39.7Very low230 Ų230134.7 Ų134.787%0.86877%0.771SS**  cis-141.3164.24.4-71.7-177.2174.2178.7-0.9109.6
278G35.2Very low39.9Very low69 Ų69137.2 Ų137.271%0.71178%0.778SS**  trans164.9119.8170.800000110.7
279P46Very low39.3Very low133 Ų133137.3 Ų137.386%0.86478%0.777SS**  trans-98.2170.9-15738-36.7000116.2
280P45.9Very low39.5Very low115 Ų115136.5 Ų136.575%0.74778%0.778SS**  trans-134.9-175.6-133.444.6-30.5000116.5
281K40.7Very low39.4Very low203 Ų203136.8 Ų136.888%0.88377%0.773SS**  trans-174.8162.6136.6-98.9163.7-178.8-177.80112.2
282P40.3Very low39.7Very low126 Ų126141.6 Ų141.682%0.81879%0.787SS**  -140.9176.1-129.343.7-25.6000118.7
283G40.9Very low39.6Very low74 Ų74141.1 Ų141.176%0.76379%0.79SS**  trans99.5148.7158.600000115.8
284L47.7Very low39.9Very low166 Ų166138.2 Ų138.287%0.86978%0.781SS**  cis-150.3171.4-8.6-170.156.2000110.3
285V39.8Very low40.1Very low119 Ų119133.3 Ų133.372%0.72177%0.772SS**  trans-81.5178.5-175.5-61.10000112.9
286R37.4Very low40.5Very low217 Ų217137.1 Ų137.182%0.81977%0.774SS**  cis-168.1158.616-151.1-173.7-158.8-174.76.1113.5
287T35.7Very low40.5Very low105 Ų105135.5 Ų135.564%0.64477%0.771SS**  trans71.9138.2145.8210000124.7
288T38.8Very low40.5Very low133 Ų133134.4 Ų134.482%0.81677%0.768SS**  trans70.5133.5146.539.60000123.4
289T37.7Very low40.5Very low129 Ų129140 Ų14079%0.79178%0.776SS**  trans-75.7176.9162.152.40000111.2
290P41.1Very low40.1Very low112 Ų112138.8 Ų138.873%0.72777%0.768SS**  cis-137.5170.66.644.7-28.8000117
291N34.9Very low39.8Very low137 Ų137142.2 Ų142.273%0.73377%0.774SS**  trans59.2160.6141-155.826.1000122
292M42.8Very low39.7Very low159 Ų159137.3 Ų137.378%0.78377%0.765SS**  trans82.6152168.8-49.9-80.46200118.8
293N38.8Very low39.5Very low152 Ų152136.2 Ų136.281%0.81376%0.761SS**  trans-133.6173.3-169-145.112.2000105.9
294P50.8Low39.3Very low104 Ų104137.9 Ų137.968%0.67576%0.761SS**  cis-138.6-178.1-7.843.5-26.7000115.7
295A39.2Very low38.7Very low83 Ų83134.9 Ų134.969%0.68675%0.754SS**  trans84.8148.4137.400000124
296I42.6Very low38.5Very low150 Ų150136 Ų13677%0.76976%0.76SS**  trans93.9104.1150.4-72.4155.7000121.1
297N39.7Very low38.4Very low129 Ų129131.3 Ų131.369%0.6976%0.758SS**  trans78.1138.1137.9-69.73.2000125.7
298Y33.7Very low38.3Very low208 Ų208132.8 Ų132.882%0.81677%0.771SS**  trans-3151.3154.1-49.5-81000120
299Q35.4Very low38.2Very low187 Ų187134.4 Ų134.487%0.87477%0.769SS**  cis-148172.235.5-123.1-145.4-25.400114.1
300P38.4Very low38.1Very low106 Ų106139.6 Ų139.669%0.68877%0.774SS**  trans-121.7157.1-17041.6-30.7000117.3
301Q38.9Very low37.9Very low188 Ų188140.4 Ų140.488%0.87978%0.777SS**  trans-158.7149.4147.8-134.7171.7-5.800113.8
302S38.6Very low37.9Very low99 Ų99140 Ų14069%0.69278%0.78SS**  trans21.7139.3155.749.40000122.1
303S36.4Very low37.7Very low104 Ų104137.2 Ų137.273%0.72778%0.776SS**  cis-174.1163.60.244.70000113.5
304S36Very low37.5Very low109 Ų109135.3 Ų135.376%0.76278%0.775SS**  trans83.1136.9158.272.40000122
305S36.5Very low36.9Very low103 Ų103134.6 Ų134.672%0.7278%0.778SS**  trans66.985.6159.438.10000122.5
306V35.7Very low37.2Very low141 Ų141138.4 Ų138.486%0.85579%0.785SS**  trans46.7115.4133.6-650000122.7
307P35.6Very low37Very low119 Ų119141 Ų14177%0.77379%0.787SS**  trans-129.6149.7143.537-25.9000113.4
308C33.3Very low37.3Very low136 Ų136143.3 Ų143.392%0.91980%0.795SS**  trans-97.3132.3176.2-170.30000111.3
309Q36.8Very low37.5Very low167 Ų167140.1 Ų140.178%0.7879%0.792SS**  trans-104156.7-174.5-66.5-167.913.900114.1
310R35.2Very low37.8Very low239 Ų239140 Ų14090%0.90280%0.796SS**  trans-134.799.3173.5179.3-153.3-68.7-158.9-2.8110.3
311T37.9Very low38Very low129 Ų129138.2 Ų138.279%0.79179%0.791SS**  trans-154.7165.11661.10000111.9
312T33.8Very low37.8Very low128 Ų128135 Ų13579%0.78579%0.789SS**  trans-97.8158.2-162.1-25.70000113.8
313S37.8Very low37.9Very low100 Ų100138.4 Ų138.470%0.69979%0.794SS**  trans80.1121156.2-56.10000119.4
314S34.7Very low38.7Very low113 Ų113141.3 Ų141.379%0.7980%0.799SS**  trans47103.114559.60000119.6
315A38.7Very low38.8Very low89 Ų89143.4 Ų143.474%0.73680%0.797SS**  175.7174.9104.500000113.1
316I45.3Very low39Very low162 Ų162144.4 Ų144.483%0.83180%0.801SS**  trans75.3140.6159.9-39.3-169.5000118.2
317Y39.9Very low39.1Very low206 Ų206140.5 Ų140.581%0.80879%0.789SS**  trans-72.1171.8173.9-81.4-122000113
318M45.7Very low39.3Very low176 Ų176141.3 Ų141.387%0.86779%0.792SS**  trans5997.4161.9-59.8-54.8-171.300117.8
319N38.3Very low39.7Very low141 Ų141140.6 Ų140.675%0.75478%0.784SS**  -163.7132.9109.2-156-49.3000110.8A321N319-A321 PolarHBondContact OD1-N 2.91Å
320L41.2Very low39.7Very low184 Ų184139.2 Ų139.296%0.96378%0.782SS**  trans-147.868.9161.4-170.666.5000109.9
321A41.3Very low40Very low69 Ų69138.1 Ų138.157%0.5778%0.777SS**  trans-117.9134.1173.300000111.7N319N319-A321 PolarHBondContact OD1-N 2.91Å
322S36.3Very low40.1Very low122 Ų122138.1 Ų138.185%0.85378%0.777SS**  trans48.3103.9156.458.40000119.8
323H39.5Very low40.6Very low170 Ų170137.6 Ų137.679%0.78778%0.778SS**  trans-155.3107.3133.4179.1-80000111.6
324I52.4Low40.7Very low164 Ų164138.4 Ų138.484%0.84178%0.784SS**  trans-157.4130.3144.3-95.4140.8000107.6
325Q39.5Very low41.1Very low154 Ų154138.7 Ų138.772%0.7278%0.783SS**  trans-126.1167.9167.5-83.1-81.114.700105
326P40.3Very low41.5Very low123 Ų123141.6 Ų141.680%0.79979%0.786SS**  cis-125179.719.441.3-26.1000114.6
327G38.1Very low41.8Very low59 Ų59139.8 Ų139.861%0.60879%0.785SS**  trans-139177.2168.800000112.7
328T39.7Very low42.1Very low136 Ų136133.3 Ų133.383%0.83477%0.77SS**  trans-156.4133.6166.223.80000111.8
329V40.7Very low42.5Very low122 Ų122130.5 Ų130.574%0.73976%0.764SS**  trans55.4129.1156-54.10000122.1
330N37.4Very low43.1Very low138 Ų138126.4 Ų126.474%0.73875%0.747SS**  trans62145.9144.9-64.1-9.7000120
331R41.8Very low43.5Very low215 Ų215121.3 Ų121.381%0.81173%0.731SS**  cis-157149.5-8.1-119.4-175.9-171.7-1733.3109.4
332V39.8Very low44.2Very low130 Ų130125.7 Ų125.779%0.78874%0.742SS**  trans17.8113.2151.8-170.70000118.9
333S44.1Very low45.3Very low116 Ų116124.5 Ų124.581%0.81173%0.73SS**  trans-171.9153130.5-82.20000112.3
334S40.3Very low46.6Very low117 Ų117120.9 Ų120.982%0.81872%0.716SS**  trans-145.8174.9172.2-49.60000107.6
335P43.1Very low47.5Very low119 Ų119115.4 Ų115.477%0.77370%0.695SS**  cis-125.9166-13.139.3-25.7000113.1
336L47.3Very low49.3Very low151 Ų151110.6 Ų110.679%0.79168%0.682SS**  trans-157.3134.3158.9-158.570.6000112.3S338L336-S338 PolarHBondContact O-N 3.26Å
337P50.9Low51.2Low124 Ų124109.6 Ų109.681%0.80567%0.67SS**  trans-82.787.5172.632.9-32.7000110.8
338S45.8Very low53Low70 Ų70110.2 Ų110.249%0.4967%0.665SS.*  trans-66.8145.6176.2-61.90000112.2L336 S340L336-S338 PolarHBondContact O-N 3.26Å; S338-S340 WeakPolarHBondContact CB-OG 3.3Å; S338-S340 PolarHBondContact O-N 2.92Å
339P54.1Low54.8Low117 Ų117107.9 Ų107.976%0.7664%0.644SS**THydrogen-bonded Turntrans-71.818177.631.5-36.9000114.3A341P339-A341 VanDerWaalsContact C-N 3.31Å; P339-A341 PolarHBondContact O-N 3.45Å
340S52.3Low56.8Low55 Ų55104.8 Ų104.839%0.38563%0.632SS.*Hα-helixtrans-63.3-29.3-169.3-50.90000114.2S338 M342 T343 D344S338-S340 WeakPolarHBondContact CB-OG 3.3Å; S338-S340 PolarHBondContact O-N 2.92Å; S340-M342 PolarHBondContact O-N 3.29Å; S340-T343 CarbonylContact O-C 3.57Å; S340-T343 WeakPolarHBondContact O-CA 3.43Å; S340-T343 WeakPolarHBondContact O-CB 3.48Å; S340-T343 PolarHBondContact O-N 3.19Å; S340-D344 WeakPolarHBondContact CB-OD2 3.29Å; S340-D344 PolarHBondContact O-N 3.4Å
341A49.7Very low59Low77 Ų77100.8 Ų100.864%0.63662%0.618SS**Hα-helixtrans-53.9-33.4-174.300000114.3P339 A345P339-A341 VanDerWaalsContact C-N 3.31Å; P339-A341 PolarHBondContact O-N 3.45Å; A341-A345 WeakPolarHBondContact O-CB 3.45Å; A341-A345 PolarHBondContact O-N 2.96Å; A341-A345 VanDerWaalsContact O-N 3.14Å
342M54.2Low60.7Low161 Ų16192.3 Ų92.379%0.79359%0.594SS**Hα-helixtrans-69.2-42.3174.5-65.5-100.3-74.900111.7S340 A346S340-M342 PolarHBondContact O-N 3.29Å; M342-A346 PolarHBondContact O-N 2.88Å
343T60.5Low62.6Low97 Ų9790.1 Ų90.160%0.59557%0.573SS**Hα-helixtrans-69.2-39.6176.9-49.30000111.5S340 A346 N347S340-T343 CarbonylContact O-C 3.57Å; S340-T343 WeakPolarHBondContact O-CA 3.43Å; S340-T343 WeakPolarHBondContact O-CB 3.48Å; S340-T343 PolarHBondContact O-N 3.19Å; T343-A346 PolarHBondContact O-N 3.17Å; T343-N347 WeakPolarHBondContact O-CB 3.26Å; T343-N347 PolarHBondContact O-N 2.91Å
344D66.9Low64.3Low93 Ų9389.2 Ų89.250%0.49756%0.559SS.*Hα-helixtrans-66.4-38.1178.3-71.3-49.9000111.7S340 S348S340-D344 WeakPolarHBondContact CB-OD2 3.29Å; S340-D344 PolarHBondContact O-N 3.4Å; D344-S348 WeakPolarHBondContact O-CB 3.46Å; D344-S348 PolarHBondContact O-N 2.84Å
345A71.4Confident66.2Low50 Ų5086.3 Ų86.341%0.41354%0.542SS..Hα-helixtrans-62.3-46.7172.200000112.1A341 S348 Q349A341-A345 WeakPolarHBondContact O-CB 3.45Å; A341-A345 PolarHBondContact O-N 2.96Å; A341-A345 VanDerWaalsContact O-N 3.14Å; A345-S348 PolarHBondContact O-N 3.44Å; A345-Q349 PolarHBondContact O-N 3.06Å
346A76.1Confident67.9Low53 Ų5381 Ų8144%0.43851%0.508SS..Hα-helixtrans-66.7-39.1177.600000112.7M342 T343 Q349 A350M342-A346 PolarHBondContact O-N 2.88Å; T343-A346 PolarHBondContact O-N 3.17Å; A346-Q349 PolarHBondContact O-N 3.36Å; A346-A350 WeakPolarHBondContact O-CB 3.23Å; A346-A350 PolarHBondContact O-N 2.91Å
347N81.1Confident69.3Low102 Ų10281.8 Ų81.855%0.54550%0.5SS..Hα-helixtrans-67.8-40.1175.8-173.337.2000111.4T343 A350 A351T343-N347 WeakPolarHBondContact O-CB 3.26Å; T343-N347 PolarHBondContact O-N 2.91Å; N347-A350 PolarHBondContact O-N 3.44Å; N347-A351 VanDerWaalsContact O-CB 3.29Å; N347-A351 WeakPolarHBondContact O-CB 3.3Å; N347-A351 PolarHBondContact O-N 2.9Å
348S76.5Confident70.7Confident71 Ų7182.1 Ų82.150%0.49749%0.489SS..Hα-helixtrans-60.9-45172.3-177.30000111.6D344 A345 A350 A351 A352D344-S348 WeakPolarHBondContact O-CB 3.46Å; D344-S348 PolarHBondContact O-N 2.84Å; A345-S348 PolarHBondContact O-N 3.44Å; S348-A350 PolarHBondContact O-N 3.12Å; S348-A351 PolarHBondContact O-N 3.38Å; S348-A352 VanDerWaalsContact O-CB 3.3Å; S348-A352 WeakPolarHBondContact O-CB 3.27Å; S348-A352 PolarHBondContact O-N 3.43Å
349Q77.5Confident72Confident87 Ų8783.4 Ų83.441%0.40749%0.487SS..Hα-helixtrans-59-46.5173.6-177.8-176.827.700112A345 A346 A352 K353 L479A345-Q349 PolarHBondContact O-N 3.06Å; A346-Q349 PolarHBondContact O-N 3.36Å; Q349-A352 PolarHBondContact O-N 3Å; Q349-K353 WeakPolarHBondContact O-CB 3.49Å; Q349-K353 PolarHBondContact O-N 2.91Å; Q349-L479 HydrophobicContact CB-CD2 3.74Å; Q349-L479 HydrophobicContact CG-CD2 3.49Å; Q349-L479 VanDerWaalsContact CG-CD2 3.49Å
350A81Confident72.8Confident58 Ų5879.7 Ų79.748%0.47946%0.461SS..Hα-helixtrans-62.8-44.2177.700000111.9A346 N347 S348 K353 L354A346-A350 WeakPolarHBondContact O-CB 3.23Å; A346-A350 PolarHBondContact O-N 2.91Å; N347-A350 PolarHBondContact O-N 3.44Å; S348-A350 PolarHBondContact O-N 3.12Å; A350-K353 PolarHBondContact O-N 3.04Å; A350-L354 VanDerWaalsContact O-CB 3.23Å; A350-L354 WeakPolarHBondContact O-CB 3.24Å; A350-L354 PolarHBondContact O-N 2.79Å
351A83.7Confident73.9Confident54 Ų5482.7 Ų82.745%0.44647%0.469SS..Hα-helixtrans-63.9-43.8176.600000112.1N347 S348 L354 A355N347-A351 VanDerWaalsContact O-CB 3.29Å; N347-A351 WeakPolarHBondContact O-CB 3.3Å; N347-A351 PolarHBondContact O-N 2.9Å; S348-A351 PolarHBondContact O-N 3.38Å; A351-L354 PolarHBondContact O-N 2.7Å; A351-A355 VanDerWaalsContact O-CB 3.28Å; A351-A355 WeakPolarHBondContact O-CB 3.44Å; A351-A355 PolarHBondContact O-N 2.9Å
352A78.4Confident75.3Confident36 Ų3684.3 Ų84.330%0.29846%0.461SS..Hα-helixtrans-63.6-44176.900000112S348 Q349 A355 L356 I475S348-A352 VanDerWaalsContact O-CB 3.3Å; S348-A352 WeakPolarHBondContact O-CB 3.27Å; S348-A352 PolarHBondContact O-N 3.43Å; Q349-A352 PolarHBondContact O-N 3Å; A352-A355 PolarHBondContact O-N 2.64Å; A352-L356 WeakPolarHBondContact O-CB 3.26Å; A352-L356 PolarHBondContact O-N 2.83Å; A352-I475 HydrophobicContact CB-CG2 4.34Å
353K79.2Confident76Confident84 Ų8479 Ų7937%0.36544%0.438SS..Hα-helixtrans-67.5-34.9176.6-171.1162.2178.4127.50112.3Q349 A350 R357 E472Q349-K353 WeakPolarHBondContact O-CB 3.49Å; Q349-K353 PolarHBondContact O-N 2.91Å; A350-K353 PolarHBondContact O-N 3.04Å; K353-R357 WeakPolarHBondContact O-CG 3.39Å; K353-R357 PolarHBondContact O-N 2.95Å; K353-E472 WeakPolarHBondContact CE-OE1 3.47Å; K353-E472 IonicContact NZ-OE1 2.75Å; K353-E472 PolarHBondContact NZ-OE1 2.94Å
354L81.1Confident76.3Confident97 Ų9777.2 Ų77.251%0.50843%0.425SS..Hα-helixtrans-72.5-37.3174-174.6139.8000112.3A350 A351 R357 K358A350-L354 VanDerWaalsContact O-CB 3.23Å; A350-L354 WeakPolarHBondContact O-CB 3.24Å; A350-L354 PolarHBondContact O-N 2.79Å; A351-L354 PolarHBondContact O-N 2.7Å; L354-R357 PolarHBondContact O-N 3.39Å; L354-K358 HydrophobicContact CD2-CD 3.93Å; L354-K358 WeakPolarHBondContact O-CG 3.41Å; L354-K358 PolarHBondContact O-N 3.39Å
355A80.1Confident76.2Confident57 Ų5779.6 Ų79.647%0.47144%0.436SS..Hα-helixtrans-65.2-42.6172.400000111.5A351 A352 K358 Q359A351-A355 VanDerWaalsContact O-CB 3.28Å; A351-A355 WeakPolarHBondContact O-CB 3.44Å; A351-A355 PolarHBondContact O-N 2.9Å; A352-A355 PolarHBondContact O-N 2.64Å; A355-K358 PolarHBondContact O-N 3.49Å; A355-Q359 WeakPolarHBondContact O-CB 3.34Å; A355-Q359 PolarHBondContact O-N 2.9Å
356L78.7Confident76Confident8 Ų883 Ų834%0.04244%0.444CS..Hα-helixtrans-58.7-51.8171.7179.259.4000110.6A352 K358 Q359 L360 Q471 E472 I475A352-L356 WeakPolarHBondContact O-CB 3.26Å; A352-L356 PolarHBondContact O-N 2.83Å; L356-K358 VanDerWaalsContact C-N 3.33Å; L356-K358 PolarHBondContact O-N 3.06Å; L356-Q359 CarbonylContact O-C 3.59Å; L356-Q359 PolarHBondContact O-N 3.07Å; L356-L360 HydrophobicContact CD1-CD1 4.13Å; L356-L360 HydrophobicContact CD1-CD2 4.41Å; L356-L360 HydrophobicContact CD1-CG 4.07Å; L356-L360 HydrophobicContact CG-CD1 3.95Å; L356-L360 HydrophobicContact CG-CG 4.34Å; L356-L360 VanDerWaalsContact O-CG 3.26Å; L356-L360 WeakPolarHBondContact O-CG 3.42Å; L356-L360 PolarHBondContact O-N 3.4Å; L356-Q471 HydrophobicContact CD1-CB 4.22Å; L356-Q471 HydrophobicContact CD1-CG 3.94Å; L356-E472 HydrophobicContact CD2-CB 3.75Å; L356-E472 HydrophobicContact CD2-CG 4.3Å; L356-I475 HydrophobicContact CD2-CD1 4.29Å
357R75.5Confident75.4Confident166 Ų16681.7 Ų81.763%0.62643%0.429SS*.Hα-helixtrans-54.9-44.8177.3-77.9176.8173.7-173.1-3.2112.8K353 L354 L360 E361K353-R357 WeakPolarHBondContact O-CG 3.39Å; K353-R357 PolarHBondContact O-N 2.95Å; L354-R357 PolarHBondContact O-N 3.39Å; R357-L360 PolarHBondContact O-N 3Å; R357-E361 WeakPolarHBondContact O-CB 3.45Å; R357-E361 PolarHBondContact O-N 2.89Å
358K81.2Confident74.5Confident131 Ų13181.1 Ų81.157%0.5743%0.431SS*.Hα-helixtrans-64.2-38.1174.6-75.9-179.9173.9179.90113.1L354 A355 L356 L360 K362L354-K358 HydrophobicContact CD2-CD 3.93Å; L354-K358 WeakPolarHBondContact O-CG 3.41Å; L354-K358 PolarHBondContact O-N 3.39Å; A355-K358 PolarHBondContact O-N 3.49Å; L356-K358 VanDerWaalsContact C-N 3.33Å; L356-K358 PolarHBondContact O-N 3.06Å; K358-L360 VanDerWaalsContact C-N 3.31Å; K358-K362 VanDerWaalsContact O-CB 3.27Å; K358-K362 WeakPolarHBondContact O-CB 3.29Å; K358-K362 PolarHBondContact O-N 3.11Å
359Q73Confident73.9Confident97 Ų9783 Ų8345%0.45344%0.441SS..Hα-helixtrans-68.2-32.1175.6-179.260.213.400111.7A355 L356 T363A355-Q359 WeakPolarHBondContact O-CB 3.34Å; A355-Q359 PolarHBondContact O-N 2.9Å; L356-Q359 CarbonylContact O-C 3.59Å; L356-Q359 PolarHBondContact O-N 3.07Å; Q359-T363 VanDerWaalsContact O-CB 3.24Å; Q359-T363 WeakPolarHBondContact O-CB 3.39Å; Q359-T363 PolarHBondContact O-N 3.05Å; Q359-T363 PolarHBondContact O-OG1 3.19Å
360L70.5Confident73Confident40 Ų4081.4 Ų81.421%0.20944%0.439CS..Hα-helixtrans-75.1-43.9175-64.9173000112.4L356 R357 K358 K362 T363 L364 A468L356-L360 HydrophobicContact CD1-CD1 4.13Å; L356-L360 HydrophobicContact CD1-CD2 4.41Å; L356-L360 HydrophobicContact CD1-CG 4.07Å; L356-L360 HydrophobicContact CG-CD1 3.95Å; L356-L360 HydrophobicContact CG-CG 4.34Å; L356-L360 VanDerWaalsContact O-CG 3.26Å; L356-L360 WeakPolarHBondContact O-CG 3.42Å; L356-L360 PolarHBondContact O-N 3.4Å; R357-L360 PolarHBondContact O-N 3Å; K358-L360 VanDerWaalsContact C-N 3.31Å; L360-K362 VanDerWaalsContact C-N 3.35Å; L360-T363 PolarHBondContact O-N 2.9Å; L360-L364 WeakPolarHBondContact O-CB 3.15Å; L360-L364 VanDerWaalsContact O-CG 3.27Å; L360-L364 WeakPolarHBondContact O-CG 3.34Å; L360-L364 PolarHBondContact O-N 2.92Å; L360-A468 HydrophobicContact CD1-CB 3.5Å; L360-A468 HydrophobicContact CD2-CB 3.33Å; L360-A468 HydrophobicContact CG-CB 4.01Å
361E76Confident72.2Confident118 Ų11887.6 Ų87.655%0.55146%0.455SS*.Hα-helixtrans-55.5-50.5170.9177.8172.9-145.700110.4R357 T363 L364 L365R357-E361 WeakPolarHBondContact O-CB 3.45Å; R357-E361 PolarHBondContact O-N 2.89Å; E361-T363 PolarHBondContact O-N 2.95Å; E361-L364 PolarHBondContact O-N 3.43Å; E361-L365 HydrophobicContact CG-CD1 3.93Å; E361-L365 WeakPolarHBondContact O-CB 3.2Å; E361-L365 WeakPolarHBondContact O-CG 3.25Å; E361-L365 PolarHBondContact O-N 3.35Å
362K77.7Confident71.1Confident110 Ų11090 Ų9048%0.47847%0.466SS..Hα-helixtrans-56.1-50.8171177174.4171.2174.80111.7K358 L360 L364 L365 E366K358-K362 VanDerWaalsContact O-CB 3.27Å; K358-K362 WeakPolarHBondContact O-CB 3.29Å; K358-K362 PolarHBondContact O-N 3.11Å; L360-K362 VanDerWaalsContact C-N 3.35Å; K362-L364 VanDerWaalsContact C-N 3.28Å; K362-L364 PolarHBondContact O-N 2.99Å; K362-L365 PolarHBondContact O-N 3.47Å; K362-E366 WeakPolarHBondContact CE-OE2 3.49Å; K362-E366 IonicContact NZ-OE2 3.55Å; K362-E366 WeakPolarHBondContact O-CB 3.43Å; K362-E366 PolarHBondContact O-N 3.36Å
363T69.8Low70.5Confident49 Ų4991 Ų9130%0.30147%0.469SS..Hα-helixtrans-61.4-35.6-177.6-61.60000112.1Q359 L360 E361 I367 A464Q359-T363 VanDerWaalsContact O-CB 3.24Å; Q359-T363 WeakPolarHBondContact O-CB 3.39Å; Q359-T363 PolarHBondContact O-N 3.05Å; Q359-T363 PolarHBondContact O-OG1 3.19Å; L360-T363 PolarHBondContact O-N 2.9Å; E361-T363 PolarHBondContact O-N 2.95Å; T363-I367 WeakPolarHBondContact O-CG1 3.41Å; T363-I367 PolarHBondContact O-N 3.05Å; T363-A464 HydrophobicContact CG2-CB 4.22Å
364L65.8Low69.8Low61 Ų6191.2 Ų91.232%0.31949%0.486SS..Hα-helixtrans-73.6-39.6176.9-72.6166000112.2L360 E361 K362 E366 I367 L461 F465L360-L364 WeakPolarHBondContact O-CB 3.15Å; L360-L364 VanDerWaalsContact O-CG 3.27Å; L360-L364 WeakPolarHBondContact O-CG 3.34Å; L360-L364 PolarHBondContact O-N 2.92Å; E361-L364 PolarHBondContact O-N 3.43Å; K362-L364 VanDerWaalsContact C-N 3.28Å; K362-L364 PolarHBondContact O-N 2.99Å; L364-E366 VanDerWaalsContact C-N 3.35Å; L364-I367 HydrophobicContact CD2-CD1 4.39Å; L364-L461 HydrophobicContact CD2-CD2 4.48Å; L364-L461 HydrophobicContact CD2-CG 4.18Å; L364-F465 HydrophobicContact CD1-CE1 3.97Å; L364-F465 HydrophobicContact CD1-CZ 3.88Å; L364-F465 HydrophobicContact CD2-CE1 4.45Å; L364-F465 HydrophobicContact CD2-CE2 4.02Å; L364-F465 HydrophobicContact CD2-CZ 3.85Å
365L65.7Low69Low143 Ų14391.3 Ų91.375%0.74949%0.493SS*.Hα-helixtrans-70.9-28.8174.2-75.9162.5000112.9E361 K362E361-L365 HydrophobicContact CG-CD1 3.93Å; E361-L365 WeakPolarHBondContact O-CB 3.2Å; E361-L365 WeakPolarHBondContact O-CG 3.25Å; E361-L365 PolarHBondContact O-N 3.35Å; K362-L365 PolarHBondContact O-N 3.47Å
366E67.3Low68.3Low121 Ų12193.4 Ų93.457%0.56550%0.496SS*.SBendtrans-92.6-1.2-177.8-165.6168.6-164.200113K362 L364 P368K362-E366 WeakPolarHBondContact CE-OE2 3.49Å; K362-E366 IonicContact NZ-OE2 3.55Å; K362-E366 WeakPolarHBondContact O-CB 3.43Å; K362-E366 PolarHBondContact O-N 3.36Å; L364-E366 VanDerWaalsContact C-N 3.35Å; E366-P368 WeakPolarHBondContact O-CD 3.38Å; E366-P368 VanDerWaalsContact O-N 3.07Å
367I62.5Low67.2Low26 Ų2698.9 Ų98.913%0.13352%0.524CS..SBendtrans-62.7111.4167.5-54-170.1000107.4T363 L364 R460 L461T363-I367 WeakPolarHBondContact O-CG1 3.41Å; T363-I367 PolarHBondContact O-N 3.05Å; L364-I367 HydrophobicContact CD2-CD1 4.39Å; I367-R460 HydrophobicContact CG2-CB 4.37Å; I367-L461 HydrophobicContact CD1-CD1 3.56Å; I367-L461 HydrophobicContact CD1-CG 3.84Å
368P63.4Low66.5Low89 Ų8995.8 Ų95.858%0.57852%0.517SS*.PPolyproline II helixtrans-66.7136.1-175.9-19.334000109E366E366-P368 WeakPolarHBondContact O-CD 3.38Å; E366-P368 VanDerWaalsContact O-N 3.07Å
369P62.8Low65.3Low110 Ų11098 Ų9871%0.71453%0.527SS*.PPolyproline II helixtrans-56.3137.1173.824.2-33.2000108.7K371P369-K371 PolarHBondContact O-N 3.45Å
370P60.6Low64.7Low55 Ų55100.9 Ų100.936%0.35754%0.544SS..PPolyproline II helixtrans-55.8116.7-176.820.9-31.7000109.1L453P370-L453 HydrophobicContact CB-CB 4.09Å; P370-L453 HydrophobicContact CB-CD2 4.08Å; P370-L453 HydrophobicContact CB-CG 4.48Å; P370-L453 HydrophobicContact CG-CB 4.34Å
371K62.4Low64.5Low188 Ų188101.9 Ų101.982%0.81755%0.554SS**PPolyproline II helixtrans-53.8126.5-173.5-173.1173-177.2173.30108.3P369P369-K371 PolarHBondContact O-N 3.45Å
372P61Low64.2Low104 Ų104100 Ų10068%0.67555%0.553SS**PPolyproline II helixtrans-56.3142.1-17922.4-33.2000109.3A374P372-A374 PolarHBondContact O-N 2.94Å
373P66.6Low63.8Low57 Ų5798.9 Ų98.937%0.3757%0.565SS.*PPolyproline II helixtrans-49.9137.6169.5-24.134000109.1P375 Q449 L453P373-P375 WeakPolarHBondContact O-CD 3.43Å; P373-Q449 HydrophobicContact CG-CG 4.07Å; P373-L453 HydrophobicContact CG-CD1 4.28Å
374A63.1Low64.3Low88 Ų88100.9 Ų100.973%0.72759%0.586SS**PPolyproline II helixtrans-53.6127.5172.100000107.9P372 L376P372-A374 PolarHBondContact O-N 2.94Å; A374-L376 PolarHBondContact O-N 3.19Å
375P66.3Low65.1Low100 Ų100101.2 Ų101.265%0.64959%0.589SS**PPolyproline II helixtrans-51.6132.9177.4-28.135.5000109.6P373 L377P373-P375 WeakPolarHBondContact O-CD 3.43Å; P375-L377 HydrophobicContact CB-CD2 4.36Å; P375-L377 PolarHBondContact O-N 3.29Å
376L63.6Low66.2Low101 Ų10197.8 Ų97.853%0.52958%0.576SS.*  trans-70.582.5171-93.4162.8000107.8A374 H378A374-L376 PolarHBondContact O-N 3.19Å; L376-H378 PolarHBondContact O-CD2 2.88Å; L376-H378 PolarHBondContact O-N 2.9Å
377L57.3Low67.1Low122 Ų12298.9 Ų98.964%0.63958%0.581SS**  trans-68.777.7167.9-62.8-176.4000108P375 F379P375-L377 HydrophobicContact CB-CD2 4.36Å; P375-L377 PolarHBondContact O-N 3.29Å; L377-F379 HydrophobicContact CB-CD2 4.07Å; L377-F379 HydrophobicContact CB-CE2 3.83Å; L377-F379 HydrophobicContact CB-CZ 4.43Å; L377-F379 HydrophobicContact CD1-CE2 4.21Å; L377-F379 HydrophobicContact CD1-CZ 4.12Å; L377-F379 WeakPolarHBondContact O-CD2 3.22Å; L377-F379 PolarHBondContact O-N 2.82Å
378H59.7Low68.1Low102 Ų102100.2 Ų100.247%0.47259%0.586SS.*  trans-60.694.3151-65.3-79.7000105.7L376 L380 H430L376-H378 PolarHBondContact O-CD2 2.88Å; L376-H378 PolarHBondContact O-N 2.9Å; H378-L380 PolarHBondContact O-N 3.41Å; H378-H430 AromaticContact CE1-CE1 3.87Å; H378-H430 AromaticContact CE1-ND1 3.84Å; H378-H430 AromaticContact NE2-CG 3.97Å
379F56.5Low69.1Low176 Ų176100.3 Ų100.377%0.77258%0.581SS**  trans-64.383.6169.1-77.2-90.1000107.4L377 P381L377-F379 HydrophobicContact CB-CD2 4.07Å; L377-F379 HydrophobicContact CB-CE2 3.83Å; L377-F379 HydrophobicContact CB-CZ 4.43Å; L377-F379 HydrophobicContact CD1-CE2 4.21Å; L377-F379 HydrophobicContact CD1-CZ 4.12Å; L377-F379 WeakPolarHBondContact O-CD2 3.22Å; L377-F379 PolarHBondContact O-N 2.82Å; F379-P381 WeakPolarHBondContact O-CD 3.43Å; F379-P381 WeakPolarHBondContact O-CG 3.41Å
380L60.5Low70.3Confident158 Ų158103 Ų10383%0.82758%0.578SS**  trans-67.2104.6163.8-70.4166.1000106H378H378-L380 PolarHBondContact O-N 3.41Å
381P66.4Low71.7Confident62 Ų62106.1 Ų106.140%0.40359%0.589SS.*  trans-68.5144.7-177.4-18.437.5000107.8F379 A383 F388F379-P381 WeakPolarHBondContact O-CD 3.43Å; F379-P381 WeakPolarHBondContact O-CG 3.41Å; P381-A383 PolarHBondContact O-N 2.86Å; P381-A383 VanDerWaalsContact O-N 3.12Å; P381-F388 HydrophobicContact CB-CD1 3.75Å; P381-F388 HydrophobicContact CB-CD2 3.78Å; P381-F388 HydrophobicContact CB-CE1 3.78Å; P381-F388 HydrophobicContact CB-CE2 3.84Å; P381-F388 HydrophobicContact CB-CG 3.74Å; P381-F388 HydrophobicContact CB-CZ 3.83Å; P381-F388 HydrophobicContact CG-CD1 4.3Å; P381-F388 HydrophobicContact CG-CD2 3.95Å; P381-F388 HydrophobicContact CG-CE1 3.86Å; P381-F388 HydrophobicContact CG-CE2 3.5Å; P381-F388 VanDerWaalsContact CG-CE2 3.5Å; P381-F388 HydrophobicContact CG-CG 4.34Å; P381-F388 HydrophobicContact CG-CZ 3.43Å; P381-F388 VanDerWaalsContact CG-CZ 3.43Å
382S69.9Low72.8Confident77 Ų7799.5 Ų99.554%0.53857%0.565SS.*  trans-58122.6-167.2-176.80000111.1A384 N385S382-A384 PolarHBondContact O-N 3.35Å; S382-A384 PolarHBondContact OG-N 2.98Å; S382-N385 WeakPolarHBondContact O-CB 3.46Å; S382-N385 PolarHBondContact O-N 2.97Å
383A69.4Low74.1Confident88 Ų8896 Ų9673%0.72755%0.548SS*.THydrogen-bonded Turntrans-67.25.2172.100000113.5P381P381-A383 PolarHBondContact O-N 2.86Å; P381-A383 VanDerWaalsContact O-N 3.12Å
384A78.7Confident75.4Confident91 Ų9198.7 Ų98.775%0.75256%0.558SS**THydrogen-bonded Turntrans-93.7-5.6164.200000113.3S382S382-A384 PolarHBondContact O-N 3.35Å; S382-A384 PolarHBondContact OG-N 2.98Å
385N84.2Confident76.7Confident68 Ų68101.1 Ų101.136%0.36455%0.554SS.*  trans-90.3106.7170.6-174.94000109.8S382 E387 F388 I389S382-N385 WeakPolarHBondContact O-CB 3.46Å; S382-N385 PolarHBondContact O-N 2.97Å; N385-E387 VanDerWaalsContact C-N 3.31Å; N385-E387 PolarHBondContact O-N 3.15Å; N385-E387 VanDerWaalsContact OD1-CB 3.29Å; N385-E387 WeakPolarHBondContact OD1-CB 3.28Å; N385-E387 PolarHBondContact OD1-N 3.39Å; N385-F388 HydrophobicContact CB-CB 4.21Å; N385-F388 PolarHBondContact O-N 3.03Å; N385-I389 PolarHBondContact O-N 3.3Å
386S87.3Confident77.7Confident70 Ų70103.1 Ų103.149%0.4956%0.555SS.*Hα-helixtrans-63.7-33.5177.145.90000113.2F388 I389 Y390S386-F388 VanDerWaalsContact C-N 3.32Å; S386-F388 PolarHBondContact O-N 3.23Å; S386-I389 PolarHBondContact O-N 3.03Å; S386-Y390 WeakPolarHBondContact O-CD2 3.35Å; S386-Y390 PolarHBondContact O-N 3.07Å
387E86.8Confident79Confident144 Ų144102.4 Ų102.467%0.67356%0.555SS**Hα-helixtrans-60.1-43.1176.9-169.3-171.9116.800111.2N385 Y390 M391N385-E387 VanDerWaalsContact C-N 3.31Å; N385-E387 PolarHBondContact O-N 3.15Å; N385-E387 VanDerWaalsContact OD1-CB 3.29Å; N385-E387 WeakPolarHBondContact OD1-CB 3.28Å; N385-E387 PolarHBondContact OD1-N 3.39Å; E387-Y390 PolarHBondContact O-N 2.89Å; E387-M391 WeakPolarHBondContact O-CB 3.29Å; E387-M391 PolarHBondContact O-N 3.4Å
388F84.4Confident80.7Confident55 Ų55100.6 Ų100.624%0.24155%0.549CS..Hα-helixtrans-65.7-40.8175.4177.8-106.8000112.3P381 N385 S386 Y390 M391 V392P381-F388 HydrophobicContact CB-CD1 3.75Å; P381-F388 HydrophobicContact CB-CD2 3.78Å; P381-F388 HydrophobicContact CB-CE1 3.78Å; P381-F388 HydrophobicContact CB-CE2 3.84Å; P381-F388 HydrophobicContact CB-CG 3.74Å; P381-F388 HydrophobicContact CB-CZ 3.83Å; P381-F388 HydrophobicContact CG-CD1 4.3Å; P381-F388 HydrophobicContact CG-CD2 3.95Å; P381-F388 HydrophobicContact CG-CE1 3.86Å; P381-F388 HydrophobicContact CG-CE2 3.5Å; P381-F388 VanDerWaalsContact CG-CE2 3.5Å; P381-F388 HydrophobicContact CG-CG 4.34Å; P381-F388 HydrophobicContact CG-CZ 3.43Å; P381-F388 VanDerWaalsContact CG-CZ 3.43Å; N385-F388 HydrophobicContact CB-CB 4.21Å; N385-F388 PolarHBondContact O-N 3.03Å; S386-F388 VanDerWaalsContact C-N 3.32Å; S386-F388 PolarHBondContact O-N 3.23Å; F388-Y390 VanDerWaalsContact C-N 3.32Å; F388-Y390 PolarHBondContact O-N 3.43Å; F388-M391 HydrophobicContact CD2-CE 4.01Å; F388-M391 HydrophobicContact CE2-CE 4.28Å; F388-M391 PolarHBondContact O-N 2.97Å; F388-V392 HydrophobicContact CD1-CG2 4.22Å; F388-V392 HydrophobicContact CD2-CG2 4.15Å; F388-V392 HydrophobicContact CE1-CG2 3.61Å; F388-V392 HydrophobicContact CE2-CG2 3.5Å; F388-V392 HydrophobicContact CG-CG2 4.46Å; F388-V392 HydrophobicContact CZ-CG2 3.2Å; F388-V392 WeakPolarHBondContact O-CG2 3.09Å; F388-V392 PolarHBondContact O-N 3.3Å
389I83.7Confident82Confident91 Ų91100.3 Ų100.347%0.46755%0.547SS..Hα-helixtrans-60.9-42.6176.2-65.9169.7000110.6N385 S386 G393N385-I389 PolarHBondContact O-N 3.3Å; S386-I389 PolarHBondContact O-N 3.03Å; I389-G393 PolarHBondContact O-N 3.16Å
390Y88.7Confident83.4Confident167 Ų16795.1 Ų95.166%0.65553%0.533SS*.Hα-helixtrans-65.6-40.1174.7-61.5-45.4000112.2S386 E387 F388 G393 L394S386-Y390 WeakPolarHBondContact O-CD2 3.35Å; S386-Y390 PolarHBondContact O-N 3.07Å; E387-Y390 PolarHBondContact O-N 2.89Å; F388-Y390 VanDerWaalsContact C-N 3.32Å; F388-Y390 PolarHBondContact O-N 3.43Å; Y390-G393 PolarHBondContact O-N 2.87Å; Y390-L394 WeakPolarHBondContact O-CB 3.47Å; Y390-L394 VanDerWaalsContact O-CG 3.28Å; Y390-L394 WeakPolarHBondContact O-CG 3.07Å; Y390-L394 PolarHBondContact O-N 3.07Å
391M89.4Confident84.8Confident119 Ų11991 Ų9159%0.58651%0.514SS*.Hα-helixtrans-65.1-40.7178.1-166.9175.27200112.5E387 F388 L394 E395E387-M391 WeakPolarHBondContact O-CB 3.29Å; E387-M391 PolarHBondContact O-N 3.4Å; F388-M391 HydrophobicContact CD2-CE 4.01Å; F388-M391 HydrophobicContact CE2-CE 4.28Å; F388-M391 PolarHBondContact O-N 2.97Å; M391-L394 PolarHBondContact O-N 3.31Å; M391-E395 WeakPolarHBondContact O-CB 3.45Å; M391-E395 PolarHBondContact O-N 3.18Å
392V86Confident85.8Confident50 Ų5092.5 Ų92.530%0.30352%0.518SS..Hα-helixtrans-66.7-41.7173.5172.90000111.5F388 L394 E395 E396F388-V392 HydrophobicContact CD1-CG2 4.22Å; F388-V392 HydrophobicContact CD2-CG2 4.15Å; F388-V392 HydrophobicContact CE1-CG2 3.61Å; F388-V392 HydrophobicContact CE2-CG2 3.5Å; F388-V392 HydrophobicContact CG-CG2 4.46Å; F388-V392 HydrophobicContact CZ-CG2 3.2Å; F388-V392 WeakPolarHBondContact O-CG2 3.09Å; F388-V392 PolarHBondContact O-N 3.3Å; V392-L394 VanDerWaalsContact C-N 3.27Å; V392-L394 PolarHBondContact O-N 2.79Å; V392-E395 WeakPolarHBondContact O-CB 3.41Å; V392-E395 PolarHBondContact O-N 3.38Å; V392-E396 PolarHBondContact O-N 3.39Å
393G88.1Confident86.3Confident31 Ų3191 Ų9132%0.3250%0.504SS..Hα-helixtrans-62.3-34.8174.800000112.8I389 Y390 V397I389-G393 PolarHBondContact O-N 3.16Å; Y390-G393 PolarHBondContact O-N 2.87Å; G393-V397 WeakPolarHBondContact O-CB 3.48Å; G393-V397 VanDerWaalsContact O-CG2 3.26Å; G393-V397 WeakPolarHBondContact O-CG2 3.41Å; G393-V397 PolarHBondContact O-N 3.45Å
394L92.9Very high86.7Confident113 Ų11391.3 Ų91.359%0.59250%0.501SS*.Hα-helixtrans-70.9-39.1172.3-71.9168.9000112.1Y390 M391 V392 V397 V398Y390-L394 WeakPolarHBondContact O-CB 3.47Å; Y390-L394 VanDerWaalsContact O-CG 3.28Å; Y390-L394 WeakPolarHBondContact O-CG 3.07Å; Y390-L394 PolarHBondContact O-N 3.07Å; M391-L394 PolarHBondContact O-N 3.31Å; V392-L394 VanDerWaalsContact C-N 3.27Å; V392-L394 PolarHBondContact O-N 2.79Å; L394-V397 PolarHBondContact O-N 3.08Å; L394-V398 WeakPolarHBondContact O-CB 3.28Å; L394-V398 VanDerWaalsContact O-CG2 3.24Å; L394-V398 WeakPolarHBondContact O-CG2 3.27Å; L394-V398 PolarHBondContact O-N 3.35Å
395E90.3Very high86.5Confident138 Ų13894 Ų9465%0.64550%0.498SS*.Hα-helixtrans-60.9-46.1173.7-176.7173.2-137.400111.5M391 V392 V398 Q399M391-E395 WeakPolarHBondContact O-CB 3.45Å; M391-E395 PolarHBondContact O-N 3.18Å; V392-E395 WeakPolarHBondContact O-CB 3.41Å; V392-E395 PolarHBondContact O-N 3.38Å; E395-V398 PolarHBondContact O-N 3.49Å; E395-Q399 WeakPolarHBondContact O-CB 3.43Å; E395-Q399 PolarHBondContact O-N 3.47Å
396E88.5Confident85.7Confident142 Ų14292.4 Ų92.466%0.66450%0.498SS*.Hα-helixtrans-64.7-40.6177.1-171.9172-159.900112.2V392 S400V392-E396 PolarHBondContact O-N 3.39Å; E396-S400 VanDerWaalsContact O-CB 3.25Å; E396-S400 WeakPolarHBondContact O-CB 3.25Å; E396-S400 PolarHBondContact O-N 2.99Å
397V90.4Very high84.3Confident87 Ų8799.6 Ų99.653%0.52752%0.52SS..Hα-helixtrans-66.3-42.8173.6167.60000111.7G393 L394 S400 V401G393-V397 WeakPolarHBondContact O-CB 3.48Å; G393-V397 VanDerWaalsContact O-CG2 3.26Å; G393-V397 WeakPolarHBondContact O-CG2 3.41Å; G393-V397 PolarHBondContact O-N 3.45Å; L394-V397 PolarHBondContact O-N 3.08Å; V397-S400 PolarHBondContact O-N 2.94Å; V397-V401 HydrophobicContact CG1-CG2 4.44Å; V397-V401 WeakPolarHBondContact O-CB 3.44Å; V397-V401 VanDerWaalsContact O-CG2 3.27Å; V397-V401 WeakPolarHBondContact O-CG2 3.33Å; V397-V401 PolarHBondContact O-N 3.38Å
398V92.2Very high82.8Confident83 Ų8397.4 Ų97.450%0.50352%0.521SS..Hα-helixtrans-64-44.3177.3165.60000110.7L394 E395 V401 I402L394-V398 WeakPolarHBondContact O-CB 3.28Å; L394-V398 VanDerWaalsContact O-CG2 3.24Å; L394-V398 WeakPolarHBondContact O-CG2 3.27Å; L394-V398 PolarHBondContact O-N 3.35Å; E395-V398 PolarHBondContact O-N 3.49Å; V398-V401 PolarHBondContact O-N 3.36Å; V398-I402 HydrophobicContact CG1-CD1 3.73Å; V398-I402 HydrophobicContact CG1-CG1 4.45Å; V398-I402 VanDerWaalsContact O-CG1 3.28Å; V398-I402 WeakPolarHBondContact O-CG1 3.42Å; V398-I402 PolarHBondContact O-N 3.08Å
399Q86.9Confident81.3Confident96 Ų9697.4 Ų97.445%0.44953%0.527SS..Hα-helixtrans-61.2-47.6175.6-174.857.753.600111E395 V401 I402 D403E395-Q399 WeakPolarHBondContact O-CB 3.43Å; E395-Q399 PolarHBondContact O-N 3.47Å; Q399-V401 VanDerWaalsContact C-N 3.3Å; Q399-V401 PolarHBondContact O-N 2.71Å; Q399-I402 PolarHBondContact O-N 3.21Å; Q399-I402 VanDerWaalsContact O-N 3.14Å; Q399-D403 PolarHBondContact NE2-OD1 3.29Å; Q399-D403 PolarHBondContact NE2-OD2 3.14Å; Q399-D403 WeakPolarHBondContact O-CB 3.46Å; Q399-D403 VanDerWaalsContact O-CG 3.29Å; Q399-D403 PolarHBondContact O-N 2.97Å
400S86.4Confident79.8Confident68 Ų6897.2 Ų97.248%0.47654%0.539SS..Hα-helixtrans-59-37.5175.8-176.60000113.1E396 V397 S404E396-S400 VanDerWaalsContact O-CB 3.25Å; E396-S400 WeakPolarHBondContact O-CB 3.25Å; E396-S400 PolarHBondContact O-N 2.99Å; V397-S400 PolarHBondContact O-N 2.94Å; S400-S404 WeakPolarHBondContact O-CB 3.19Å; S400-S404 PolarHBondContact O-N 2.98Å; S400-S404 PolarHBondContact O-OG 2.75Å
401V90.1Very high78.1Confident71 Ų7193.5 Ų93.543%0.4354%0.537SS..Hα-helixtrans-72.9-34.7175.9166.30000112.4V397 V398 Q399 Q405V397-V401 HydrophobicContact CG1-CG2 4.44Å; V397-V401 WeakPolarHBondContact O-CB 3.44Å; V397-V401 VanDerWaalsContact O-CG2 3.27Å; V397-V401 WeakPolarHBondContact O-CG2 3.33Å; V397-V401 PolarHBondContact O-N 3.38Å; V398-V401 PolarHBondContact O-N 3.36Å; Q399-V401 VanDerWaalsContact C-N 3.3Å; Q399-V401 PolarHBondContact O-N 2.71Å; V401-Q405 VanDerWaalsContact CG1-NE2 3.3Å; V401-Q405 WeakPolarHBondContact O-CB 3.27Å; V401-Q405 WeakPolarHBondContact O-CG 3.46Å; V401-Q405 PolarHBondContact O-N 3.36Å; V401-Q405 VanDerWaalsContact O-N 3.1Å; V401-Q405 PolarHBondContact O-NE2 2.91Å
402I87.4Confident76.5Confident94 Ų9492.4 Ų92.448%0.48253%0.534SS..Hα-helixtrans-66.6-49.1172.7-72.4165.1000109.8V398 Q399 S404 Q405 G406V398-I402 HydrophobicContact CG1-CD1 3.73Å; V398-I402 HydrophobicContact CG1-CG1 4.45Å; V398-I402 VanDerWaalsContact O-CG1 3.28Å; V398-I402 WeakPolarHBondContact O-CG1 3.42Å; V398-I402 PolarHBondContact O-N 3.08Å; Q399-I402 PolarHBondContact O-N 3.21Å; Q399-I402 VanDerWaalsContact O-N 3.14Å; I402-S404 VanDerWaalsContact C-N 3.34Å; I402-S404 PolarHBondContact O-N 3.43Å; I402-Q405 PolarHBondContact O-N 2.85Å; I402-G406 PolarHBondContact O-N 3.29Å
403D80.5Confident75Confident44 Ų4497.3 Ų97.324%0.23556%0.557CS.*Hα-helixtrans-61.9-41.9178.8-70.5-28.7000111.2Q399 Q405 G406 C409 L412Q399-D403 PolarHBondContact NE2-OD1 3.29Å; Q399-D403 PolarHBondContact NE2-OD2 3.14Å; Q399-D403 WeakPolarHBondContact O-CB 3.46Å; Q399-D403 VanDerWaalsContact O-CG 3.29Å; Q399-D403 PolarHBondContact O-N 2.97Å; D403-Q405 PolarHBondContact O-N 3.46Å; D403-G406 PolarHBondContact O-N 3.31Å; D403-C409 WeakPolarHBondContact O-CB 3.26Å; D403-L412 HydrophobicContact CB-CD1 4.42Å
404S78Confident73.5Confident96 Ų96106.9 Ų106.967%0.67158%0.584SS**Hα-helixtrans-67.9-31.6177.3-61.70000113.9S400 I402S400-S404 WeakPolarHBondContact O-CB 3.19Å; S400-S404 PolarHBondContact O-N 2.98Å; S400-S404 PolarHBondContact O-OG 2.75Å; I402-S404 VanDerWaalsContact C-N 3.34Å; I402-S404 PolarHBondContact O-N 3.43Å
405Q75.2Confident72.3Confident146 Ų146106.3 Ų106.368%0.68258%0.584SS**Hα-helixtrans-82.1-24.5173.4-74.6-178.584.900112.5V401 I402 D403 K407V401-Q405 VanDerWaalsContact CG1-NE2 3.3Å; V401-Q405 WeakPolarHBondContact O-CB 3.27Å; V401-Q405 WeakPolarHBondContact O-CG 3.46Å; V401-Q405 PolarHBondContact O-N 3.36Å; V401-Q405 VanDerWaalsContact O-N 3.1Å; V401-Q405 PolarHBondContact O-NE2 2.91Å; I402-Q405 PolarHBondContact O-N 2.85Å; D403-Q405 PolarHBondContact O-N 3.46Å; Q405-K407 PolarHBondContact O-N 3.37Å; Q405-K407 VanDerWaalsContact O-N 3.16Å
406G66.8Low71.6Confident35 Ų35107.1 Ų107.136%0.36159%0.588SS.*SBendtrans-66.3106.5171.600000111.4I402 D403 S408 C409I402-G406 PolarHBondContact O-N 3.29Å; D403-G406 PolarHBondContact O-N 3.31Å; G406-S408 PolarHBondContact O-N 3.03Å; G406-C409 PolarHBondContact O-N 3.4Å; G406-C409 VanDerWaalsContact O-N 3.14Å
407K58.3Low71.3Confident222 Ų222104 Ų10497%0.96558%0.581SS**THydrogen-bonded Turntrans-66.828.4175.2-60.7176.6-178.2174.40114.2Q405Q405-K407 PolarHBondContact O-N 3.37Å; Q405-K407 VanDerWaalsContact O-N 3.16Å
408S55Low71.2Confident98 Ų98104.7 Ų104.769%0.68558%0.577SS**THydrogen-bonded Turntrans-132-1.7-178.7-169.20000112.7G406 A410 S411G406-S408 PolarHBondContact O-N 3.03Å; S408-A410 PolarHBondContact O-N 2.89Å; S408-S411 PolarHBondContact O-N 2.97Å
409C51.6Low71.3Confident55 Ų55103.7 Ų103.737%0.37257%0.571SS.*THydrogen-bonded Turntrans-75.637.1-174.6-165.80000115.1D403 G406D403-C409 WeakPolarHBondContact O-CB 3.26Å; G406-C409 PolarHBondContact O-N 3.4Å; G406-C409 VanDerWaalsContact O-N 3.14Å
410A52.5Low71.8Confident87 Ų8799.1 Ų99.172%0.71955%0.549SS*.THydrogen-bonded Turntrans-85.5-24.715900000111.8S408S408-A410 PolarHBondContact O-N 2.89Å
411S54.6Low72.2Confident88 Ų8898.3 Ų98.362%0.61555%0.547SS*.G310 helixtrans-80.2-23.6-169.6-163.50000115S408 L413 R414S408-S411 PolarHBondContact O-N 2.97Å; S411-L413 VanDerWaalsContact C-N 3.26Å; S411-L413 PolarHBondContact O-N 2.99Å; S411-R414 PolarHBondContact O-N 2.99Å
412L54.1Low72.4Confident97 Ų9799.4 Ų99.451%0.50855%0.547SS..G310 helixtrans-71.9-20.3-179.2-64.5-178.3000112.9D403 R414D403-L412 HydrophobicContact CB-CD1 4.42Å; L412-R414 PolarHBondContact O-N 3.36Å
413L55.9Low72.8Confident153 Ų15398.2 Ų98.280%0.80155%0.546SS*.G310 helixtrans-78.93.2176.9-60.1178.8000113.9S411S411-L413 VanDerWaalsContact C-N 3.26Å; S411-L413 PolarHBondContact O-N 2.99Å
414R55.7Low73.5Confident231 Ų231105.6 Ų105.687%0.87257%0.571SS**G310 helixtrans-135.444.2175.5-74.7-163.3175.1-148.22.1113S411 L412 E416S411-R414 PolarHBondContact O-N 2.99Å; L412-R414 PolarHBondContact O-N 3.36Å; R414-E416 PolarHBondContact O-N 3.32Å; R414-E416 VanDerWaalsContact O-N 3.16Å
415V67.3Low74.3Confident101 Ų101103.1 Ų103.161%0.61255%0.552SS**  trans-73.5101.4162.7-1780000108.3
416E75.4Confident75.2Confident155 Ų15598.8 Ų98.872%0.72453%0.533SS*.PPolyproline II helixtrans-56.8127.1172.1-177.963.8-156.500109.4R414 F418R414-E416 PolarHBondContact O-N 3.32Å; R414-E416 VanDerWaalsContact O-N 3.16Å; E416-F418 PolarHBondContact O-N 3.2Å
417P83.6Confident76.4Confident78 Ų78104.5 Ų104.551%0.50655%0.548SS..PPolyproline II helixtrans-60.6132.4-176.823.4-34.2000111.3V419P417-V419 PolarHBondContact O-N 3.27Å
418F88.5Confident78Confident100 Ų10094.7 Ų94.744%0.43951%0.507SS..PPolyproline II helixtrans-58.9138.9178.2-66.2-59.9000111.5E416 W431 I439E416-F418 PolarHBondContact O-N 3.2Å; F418-W431 HydrophobicContact CB-CD2 3.69Å; F418-W431 VanDerWaalsContact CB-CE2 3.49Å; F418-W431 HydrophobicContact CB-CE3 4.12Å; F418-W431 HydrophobicContact CB-CG 4.19Å; F418-W431 HydrophobicContact CB-CH2 4.16Å; F418-W431 HydrophobicContact CB-CZ2 3.75Å; F418-W431 HydrophobicContact CB-CZ3 4.33Å; F418-W431 AromaticContact CD2-CD1 3.79Å; F418-W431 HydrophobicContact CD2-CD2 4.42Å; F418-W431 HydrophobicContact CD2-CG 4.02Å; F418-W431 HydrophobicContact CG-CD2 4.38Å; F418-W431 HydrophobicContact CG-CG 4.41Å; F418-W431 VanDerWaalsContact O-CH2 3.26Å; F418-W431 WeakPolarHBondContact O-CH2 3.23Å; F418-W431 WeakPolarHBondContact O-CZ2 3.19Å; F418-I439 HydrophobicContact CB-CG2 4.07Å; F418-I439 HydrophobicContact CD1-CG1 4.01Å; F418-I439 HydrophobicContact CD1-CG2 4.18Å; F418-I439 HydrophobicContact CE1-CD1 4.41Å; F418-I439 HydrophobicContact CE1-CG1 4.3Å; F418-I439 HydrophobicContact CG-CG2 4.2Å
419V94.2Very high79.5Confident62 Ų6295.4 Ų95.438%0.37651%0.509SS..  trans-123.9131.3174.5176.70000108.8P417 A421 R424 T425 D426P417-V419 PolarHBondContact O-N 3.27Å; V419-A421 PolarHBondContact O-N 3.19Å; V419-R424 HydrophobicContact CG1-CB 4.32Å; V419-T425 WeakPolarHBondContact CA-O 3.45Å; V419-D426 HydrophobicContact CG2-CB 4.34Å
420C96Very high81.2Confident0 Ų095.9 Ų95.90%051%0.506CS..  trans-62.8120.4-178.8179.20000111.2Q422 R424 T425 W431 C441 C444C420-Q422 PolarHBondContact O-N 2.74Å; C420-R424 VanDerWaalsContact O-CA 3.29Å; C420-R424 WeakPolarHBondContact O-CA 3.37Å; C420-R424 PolarHBondContact O-N 3.04Å; C420-T425 HydrophobicContact CB-CG2 3.92Å; C420-T425 PolarHBondContact N-O 2.92Å; C420-W431 HydrophobicContact CB-CH2 4.33Å; C420-W431 HydrophobicContact CB-CZ3 3.96Å; C420-C441 HydrophobicContact CB-CB 4.1Å; C420-C441 PolarHBondContact SG-N 3.38Å; C420-C441 VanDerWaalsContact SG-N 3.39Å; C420-C444 VanDerWaalsContact SG-SG 3.66Å
421A95.6Very high83.1Confident51 Ų5194.8 Ų94.842%0.42148%0.483SS..THydrogen-bonded Turntrans-63.7-4.1-178.400000115V419 K438 I439 L440V419-A421 PolarHBondContact O-N 3.19Å; A421-K438 HydrophobicContact CB-CB 4.04Å; A421-K438 HydrophobicContact CB-CG 4.45Å; A421-I439 WeakPolarHBondContact CB-O 3.41Å; A421-I439 PolarHBondContact N-O 3.37Å; A421-L440 HydrophobicContact CB-CD2 4.25Å
422Q94.9Very high84.8Confident95 Ų9594.3 Ų94.344%0.44447%0.47SS..THydrogen-bonded Turntrans-112.8-60.7175.1-77.1-175-12.500113.3C420 L440 C444 N448C420-Q422 PolarHBondContact O-N 2.74Å; Q422-L440 HydrophobicContact CB-CD2 4.14Å; Q422-L440 HydrophobicContact CG-CD2 3.76Å; Q422-C444 HydrophobicContact CB-CB 4.36Å; Q422-N448 VanDerWaalsContact CD-ND2 3.26Å; Q422-N448 PolarHBondContact NE2-ND2 2.96Å; Q422-N448 PolarHBondContact NE2-OD1 2.99Å; Q422-N448 PolarHBondContact OE1-ND2 3.2Å; Q422-N448 PolarHBondContact OE1-OD1 2.8Å
423C95.6Very high86.6Confident69 Ų6995.8 Ų95.847%0.46648%0.475SS..THydrogen-bonded Turntrans-94.7-0.2-175.567.30000114.7T425 C441 C444C423-T425 PolarHBondContact O-N 3.45Å; C423-T425 VanDerWaalsContact SG-CG2 3.55Å; C423-C441 PolarHBondContact SG-SG 3.23Å; C423-C444 VanDerWaalsContact SG-SG 3.62Å
424R95.2Very high88.1Confident198 Ų19892.4 Ų92.475%0.74746%0.455SS*.  trans56.315.5-179-59.6-63.5-166.2136.96.3116V419 C420V419-R424 HydrophobicContact CG1-CB 4.32Å; C420-R424 VanDerWaalsContact O-CA 3.29Å; C420-R424 WeakPolarHBondContact O-CA 3.37Å; C420-R424 PolarHBondContact O-N 3.04Å
425T94.3Very high89.6Confident45 Ų4592 Ų9228%0.27646%0.459SS..  trans-65.6145.1166.4-164.40000110.4V419 C420 C423 F427 W431 C441V419-T425 WeakPolarHBondContact CA-O 3.45Å; C420-T425 HydrophobicContact CB-CG2 3.92Å; C420-T425 PolarHBondContact N-O 2.92Å; C423-T425 PolarHBondContact O-N 3.45Å; C423-T425 VanDerWaalsContact SG-CG2 3.55Å; T425-F427 VanDerWaalsContact CG2-O 3.3Å; T425-F427 WeakPolarHBondContact CG2-O 3.35Å; T425-F427 PolarHBondContact OG1-N 3.1Å; T425-F427 PolarHBondContact OG1-O 2.99Å; T425-W431 WeakPolarHBondContact O-CH2 3.27Å; T425-C441 HydrophobicContact CG2-CB 3.88Å
426D93.8Very high90.6Very high54 Ų5491.2 Ų91.229%0.28945%0.452SS..SBendtrans-100.93.9173.453.6-10.2000112.5K167 V419K167-D426 VanDerWaalsContact CE-OD2 3.3Å; K167-D426 WeakPolarHBondContact CE-OD2 3.28Å; K167-D426 IonicContact NZ-OD2 2.64Å; K167-D426 PolarHBondContact NZ-OD2 3.37Å; V419-D426 HydrophobicContact CG2-CB 4.34Å
427F91.8Very high91.3Very high155 Ų15585.8 Ų85.868%0.6844%0.437SS*.  trans-133.1138.5179.3-178.4-95.9000113T425T425-F427 VanDerWaalsContact CG2-O 3.3Å; T425-F427 WeakPolarHBondContact CG2-O 3.35Å; T425-F427 PolarHBondContact OG1-N 3.1Å; T425-F427 PolarHBondContact OG1-O 2.99Å
428T91.6Very high91.7Very high17 Ų1787.6 Ų87.610%0.10444%0.437CS..  trans-164.3148175.8-179.30000108.8H430 W431 C441 E442T428-H430 VanDerWaalsContact C-N 3.26Å; T428-H430 WeakPolarHBondContact CG2-O 3.45Å; T428-H430 PolarHBondContact O-N 3.43Å; T428-H430 PolarHBondContact OG1-O 3.38Å; T428-W431 HydrophobicContact CG2-CB 4.46Å; T428-W431 HydrophobicContact CG2-CD2 3.2Å; T428-W431 HydrophobicContact CG2-CE3 3.49Å; T428-W431 VanDerWaalsContact CG2-CE3 3.49Å; T428-W431 HydrophobicContact CG2-CG 3.66Å; T428-W431 HydrophobicContact CG2-CH2 3.93Å; T428-W431 HydrophobicContact CG2-CZ2 3.67Å; T428-W431 HydrophobicContact CG2-CZ3 3.85Å; T428-C441 HydrophobicContact CG2-CB 4.03Å; T428-E442 PolarHBondContact OG1-N 3.48Å
429P87.5Confident91.9Very high112 Ų11284.6 Ų84.673%0.72743%0.425SS*.SBendtrans-62.5-34.7174.2-21.533.5000112.6E442P429-E442 WeakPolarHBondContact CG-OE2 3.48Å
430H87.1Confident92Very high65 Ų6581.8 Ų81.830%0.30141%0.408SS..SBendtrans-136.2134.1174.7-177.459.8000111.4H378 T428 E442H378-H430 AromaticContact CE1-CE1 3.87Å; H378-H430 AromaticContact CE1-ND1 3.84Å; H378-H430 AromaticContact NE2-CG 3.97Å; T428-H430 VanDerWaalsContact C-N 3.26Å; T428-H430 WeakPolarHBondContact CG2-O 3.45Å; T428-H430 PolarHBondContact O-N 3.43Å; T428-H430 PolarHBondContact OG1-O 3.38Å; H430-E442 PolarHBondContact O-N 2.99Å
431W92.3Very high91.9Very high64 Ų6482 Ų8224%0.24241%0.41CS..EExtended strand (participates in β ladder)trans-94.6137.4170.7-75.2114.6000110.2F418 C420 T425 T428 I439 C441F418-W431 HydrophobicContact CB-CD2 3.69Å; F418-W431 VanDerWaalsContact CB-CE2 3.49Å; F418-W431 HydrophobicContact CB-CE3 4.12Å; F418-W431 HydrophobicContact CB-CG 4.19Å; F418-W431 HydrophobicContact CB-CH2 4.16Å; F418-W431 HydrophobicContact CB-CZ2 3.75Å; F418-W431 HydrophobicContact CB-CZ3 4.33Å; F418-W431 AromaticContact CD2-CD1 3.79Å; F418-W431 HydrophobicContact CD2-CD2 4.42Å; F418-W431 HydrophobicContact CD2-CG 4.02Å; F418-W431 HydrophobicContact CG-CD2 4.38Å; F418-W431 HydrophobicContact CG-CG 4.41Å; F418-W431 VanDerWaalsContact O-CH2 3.26Å; F418-W431 WeakPolarHBondContact O-CH2 3.23Å; F418-W431 WeakPolarHBondContact O-CZ2 3.19Å; C420-W431 HydrophobicContact CB-CH2 4.33Å; C420-W431 HydrophobicContact CB-CZ3 3.96Å; T425-W431 WeakPolarHBondContact O-CH2 3.27Å; T428-W431 HydrophobicContact CG2-CB 4.46Å; T428-W431 HydrophobicContact CG2-CD2 3.2Å; T428-W431 HydrophobicContact CG2-CE3 3.49Å; T428-W431 VanDerWaalsContact CG2-CE3 3.49Å; T428-W431 HydrophobicContact CG2-CG 3.66Å; T428-W431 HydrophobicContact CG2-CH2 3.93Å; T428-W431 HydrophobicContact CG2-CZ2 3.67Å; T428-W431 HydrophobicContact CG2-CZ3 3.85Å; W431-I439 HydrophobicContact CB-CG2 4.48Å; W431-I439 HydrophobicContact CD2-CG2 4.09Å; W431-I439 HydrophobicContact CE3-CG2 3.42Å; W431-I439 VanDerWaalsContact CE3-CG2 3.42Å; W431-I439 HydrophobicContact CZ3-CG2 3.99Å; W431-C441 HydrophobicContact CZ3-CB 4.15Å
432K89.8Confident91.8Very high78 Ų7883.9 Ų83.934%0.33941%0.41SS..EExtended strand (participates in β ladder)trans-137.5131.9178.4-167.7158.7-178.11710112.5L440 M445K432-L440 PolarHBondContact N-O 2.91Å; K432-L440 PolarHBondContact O-N 2.87Å; K432-M445 HydrophobicContact CB-CG 4.26Å; K432-M445 HydrophobicContact CD-CE 4.19Å; K432-M445 HydrophobicContact CD-CG 4.07Å; K432-M445 HydrophobicContact CD-SD 4.14Å; K432-M445 HydrophobicContact CG-CG 4.34Å
433Q91.9Very high91.7Very high128 Ų12886.4 Ų86.460%0.59842%0.422SS*.EExtended strand (participates in β ladder)trans-85.3130.8173.9-162.4166.338.800110.5G437 K438 I439Q433-G437 WeakPolarHBondContact CG-O 3.49Å; Q433-G437 PolarHBondContact NE2-O 3.06Å; Q433-K438 WeakPolarHBondContact CA-O 3.39Å; Q433-I439 HydrophobicContact CB-CD1 3.77Å; Q433-I439 HydrophobicContact CG-CD1 3.81Å
434E88.3Confident91.7Very high82 Ų8283.9 Ų83.938%0.38341%0.405SS..  trans-83.1159.2170.2-179168.7-123.100110.4N436 G437 K438 L440E434-N436 WeakPolarHBondContact CB-OD1 3.25Å; E434-N436 PolarHBondContact O-N 3.14Å; E434-N436 PolarHBondContact OE2-ND2 3.36Å; E434-N436 PolarHBondContact OE2-OD1 3.38Å; E434-G437 PolarHBondContact O-N 3.05Å; E434-K438 PolarHBondContact N-O 2.66Å; E434-L440 HydrophobicContact CB-CD1 4.38Å
435K87.8Confident91.6Very high222 Ų22276.1 Ų76.197%0.96538%0.377SS*.THydrogen-bonded Turntrans-55.9-13.6-177.8-60.1-175.7179.1-174.90115.3
436N88.3Confident91.4Very high86 Ų8676.9 Ų76.946%0.4638%0.382SS..THydrogen-bonded Turntrans-97.914177.459.718.8000112.9E434 K438E434-N436 WeakPolarHBondContact CB-OD1 3.25Å; E434-N436 PolarHBondContact O-N 3.14Å; E434-N436 PolarHBondContact OE2-ND2 3.36Å; E434-N436 PolarHBondContact OE2-OD1 3.38Å; N436-K438 VanDerWaalsContact C-N 3.27Å; N436-K438 PolarHBondContact O-N 2.91Å; N436-K438 VanDerWaalsContact OD1-CB 3.25Å; N436-K438 WeakPolarHBondContact OD1-CB 3.44Å; N436-K438 VanDerWaalsContact OD1-CG 3.3Å; N436-K438 WeakPolarHBondContact OD1-CG 3.45Å; N436-K438 PolarHBondContact OD1-N 3.01Å
437G88.9Confident91.3Very high41 Ų4176.6 Ų76.642%0.42338%0.384SS..SBendtrans81.1-9.3-179.400000115.3Q433 E434Q433-G437 WeakPolarHBondContact CG-O 3.49Å; Q433-G437 PolarHBondContact NE2-O 3.06Å; E434-G437 PolarHBondContact O-N 3.05Å
438K92.5Very high91.3Very high116 Ų11670.7 Ų70.750%0.50436%0.359SS..  trans-74.4130.9-174.5-63.3178.8-175.8-178.50111.8A421 Q433 E434 N436A421-K438 HydrophobicContact CB-CB 4.04Å; A421-K438 HydrophobicContact CB-CG 4.45Å; Q433-K438 WeakPolarHBondContact CA-O 3.39Å; E434-K438 PolarHBondContact N-O 2.66Å; N436-K438 VanDerWaalsContact C-N 3.27Å; N436-K438 PolarHBondContact O-N 2.91Å; N436-K438 VanDerWaalsContact OD1-CB 3.25Å; N436-K438 WeakPolarHBondContact OD1-CB 3.44Å; N436-K438 VanDerWaalsContact OD1-CG 3.3Å; N436-K438 WeakPolarHBondContact OD1-CG 3.45Å; N436-K438 PolarHBondContact OD1-N 3.01Å
439I93.7Very high91.2Very high36 Ų3673.6 Ų73.619%0.18537%0.372CS..EExtended strand (participates in β ladder)trans-82.8129.3172.8-54.9-62.1000109.7F418 A421 W431 Q433F418-I439 HydrophobicContact CB-CG2 4.07Å; F418-I439 HydrophobicContact CD1-CG1 4.01Å; F418-I439 HydrophobicContact CD1-CG2 4.18Å; F418-I439 HydrophobicContact CE1-CD1 4.41Å; F418-I439 HydrophobicContact CE1-CG1 4.3Å; F418-I439 HydrophobicContact CG-CG2 4.2Å; A421-I439 WeakPolarHBondContact CB-O 3.41Å; A421-I439 PolarHBondContact N-O 3.37Å; W431-I439 HydrophobicContact CB-CG2 4.48Å; W431-I439 HydrophobicContact CD2-CG2 4.09Å; W431-I439 HydrophobicContact CE3-CG2 3.42Å; W431-I439 VanDerWaalsContact CE3-CG2 3.42Å; W431-I439 HydrophobicContact CZ3-CG2 3.99Å; Q433-I439 HydrophobicContact CB-CD1 3.77Å; Q433-I439 HydrophobicContact CG-CD1 3.81Å
440L95.3Very high91.2Very high3 Ų375 Ų752%0.01637%0.367CS..EExtended strand (participates in β ladder)trans-126.4144.9178.6-62.4176000110.5A421 Q422 K432 E434 C444 M445A421-L440 HydrophobicContact CB-CD2 4.25Å; Q422-L440 HydrophobicContact CB-CD2 4.14Å; Q422-L440 HydrophobicContact CG-CD2 3.76Å; K432-L440 PolarHBondContact N-O 2.91Å; K432-L440 PolarHBondContact O-N 2.87Å; E434-L440 HydrophobicContact CB-CD1 4.38Å; L440-C444 HydrophobicContact CB-CB 4.43Å; L440-C444 HydrophobicContact CD2-CB 4.4Å; L440-M445 HydrophobicContact CB-CB 4.29Å
441C94.5Very high91.4Very high5 Ų578 Ų783%0.03438%0.379CS..EExtended strand (participates in β ladder)trans-72.1158.9165.666.40000111.1C420 C423 T425 T428 W431 Q443 C444 M445C420-C441 HydrophobicContact CB-CB 4.1Å; C420-C441 PolarHBondContact SG-N 3.38Å; C420-C441 VanDerWaalsContact SG-N 3.39Å; C423-C441 PolarHBondContact SG-SG 3.23Å; T425-C441 HydrophobicContact CG2-CB 3.88Å; T428-C441 HydrophobicContact CG2-CB 4.03Å; W431-C441 HydrophobicContact CZ3-CB 4.15Å; C441-Q443 VanDerWaalsContact C-N 3.28Å; C441-Q443 PolarHBondContact O-N 2.87Å; C441-C444 PolarHBondContact O-N 3.46Å; C441-C444 VanDerWaalsContact O-N 3.11Å; C441-M445 WeakPolarHBondContact O-CB 3.48Å; C441-M445 PolarHBondContact O-N 2.94Å
442E92.6Very high91.3Very high91 Ų9177.8 Ų77.843%0.42539%0.391SS..Hα-helixtrans-51.1-45.1-179.2-174.4-175.6168.200112.6T428 P429 H430 M445 T446T428-E442 PolarHBondContact OG1-N 3.48Å; P429-E442 WeakPolarHBondContact CG-OE2 3.48Å; H430-E442 PolarHBondContact O-N 2.99Å; E442-M445 PolarHBondContact O-N 2.94Å; E442-T446 VanDerWaalsContact O-CB 3.25Å; E442-T446 WeakPolarHBondContact O-CB 3.49Å; E442-T446 PolarHBondContact O-N 2.64Å; E442-T446 PolarHBondContact O-OG1 3.28Å
443Q93.7Very high91Very high148 Ų14876.1 Ų76.169%0.69239%0.385SS*.Hα-helixtrans-66.9-39.9-179.5-177.164.5-700112.7C441 S447C441-Q443 VanDerWaalsContact C-N 3.28Å; C441-Q443 PolarHBondContact O-N 2.87Å; Q443-S447 WeakPolarHBondContact O-CB 3.38Å; Q443-S447 PolarHBondContact O-N 3.34Å
444C94.9Very high90.9Very high16 Ų1676.6 Ų76.611%0.10839%0.385CS..Hα-helixtrans-68-47174-85.60000111.2C420 Q422 C423 L440 C441 T446 S447 N448C420-C444 VanDerWaalsContact SG-SG 3.66Å; Q422-C444 HydrophobicContact CB-CB 4.36Å; C423-C444 VanDerWaalsContact SG-SG 3.62Å; L440-C444 HydrophobicContact CB-CB 4.43Å; L440-C444 HydrophobicContact CD2-CB 4.4Å; C441-C444 PolarHBondContact O-N 3.46Å; C441-C444 VanDerWaalsContact O-N 3.11Å; C444-T446 VanDerWaalsContact C-N 3.34Å; C444-T446 PolarHBondContact O-N 2.97Å; C444-S447 WeakPolarHBondContact O-CB 3.38Å; C444-S447 PolarHBondContact O-N 3.37Å; C444-S447 VanDerWaalsContact O-N 3.15Å; C444-N448 VanDerWaalsContact O-CG 3.28Å; C444-N448 PolarHBondContact O-N 3.05Å; C444-N448 PolarHBondContact O-ND2 3.42Å
445M93Very high91Very high35 Ų3575 Ų7517%0.17239%0.386CS..Hα-helixtrans-58.1-46.9179.2-158.6-71-53.200110.9K432 L440 C441 E442 N448 Q449K432-M445 HydrophobicContact CB-CG 4.26Å; K432-M445 HydrophobicContact CD-CE 4.19Å; K432-M445 HydrophobicContact CD-CG 4.07Å; K432-M445 HydrophobicContact CD-SD 4.14Å; K432-M445 HydrophobicContact CG-CG 4.34Å; L440-M445 HydrophobicContact CB-CB 4.29Å; C441-M445 WeakPolarHBondContact O-CB 3.48Å; C441-M445 PolarHBondContact O-N 2.94Å; E442-M445 PolarHBondContact O-N 2.94Å; M445-N448 PolarHBondContact O-N 2.95Å; M445-Q449 WeakPolarHBondContact O-CB 3.23Å; M445-Q449 PolarHBondContact O-N 3.12Å
446T90Very high90.9Very high61 Ų6168.5 Ų68.537%0.37436%0.359SS..Hα-helixtrans-64.1-40.4174.5-57.30000112.4E442 C444 Q449 K450E442-T446 VanDerWaalsContact O-CB 3.25Å; E442-T446 WeakPolarHBondContact O-CB 3.49Å; E442-T446 PolarHBondContact O-N 2.64Å; E442-T446 PolarHBondContact O-OG1 3.28Å; C444-T446 VanDerWaalsContact C-N 3.34Å; C444-T446 PolarHBondContact O-N 2.97Å; T446-Q449 PolarHBondContact O-N 3.06Å; T446-K450 VanDerWaalsContact O-CB 3.29Å; T446-K450 WeakPolarHBondContact O-CB 3.29Å; T446-K450 PolarHBondContact O-N 2.96Å
447S91.8Very high90.7Very high47 Ų4767.6 Ų67.633%0.32935%0.352SS..Hα-helixtrans-63.1-43.2175.3-174.60000112.1Q443 C444 K450 K451Q443-S447 WeakPolarHBondContact O-CB 3.38Å; Q443-S447 PolarHBondContact O-N 3.34Å; C444-S447 WeakPolarHBondContact O-CB 3.38Å; C444-S447 PolarHBondContact O-N 3.37Å; C444-S447 VanDerWaalsContact O-N 3.15Å; S447-K450 PolarHBondContact O-N 3.4Å; S447-K451 VanDerWaalsContact O-CG 3.27Å; S447-K451 WeakPolarHBondContact O-CG 3.42Å; S447-K451 PolarHBondContact O-N 2.86Å
448N92Very high90.7Very high31 Ų3168.8 Ų68.817%0.16635%0.351CS..Hα-helixtrans-65.6-43.1175.3-64.7-43.1000111.6Q422 C444 M445 K450 K451 A452Q422-N448 VanDerWaalsContact CD-ND2 3.26Å; Q422-N448 PolarHBondContact NE2-ND2 2.96Å; Q422-N448 PolarHBondContact NE2-OD1 2.99Å; Q422-N448 PolarHBondContact OE1-ND2 3.2Å; Q422-N448 PolarHBondContact OE1-OD1 2.8Å; C444-N448 VanDerWaalsContact O-CG 3.28Å; C444-N448 PolarHBondContact O-N 3.05Å; C444-N448 PolarHBondContact O-ND2 3.42Å; M445-N448 PolarHBondContact O-N 2.95Å; N448-K450 VanDerWaalsContact C-N 3.34Å; N448-K450 PolarHBondContact O-N 3.48Å; N448-K451 WeakPolarHBondContact O-CB 3.45Å; N448-K451 PolarHBondContact O-N 3.42Å; N448-A452 WeakPolarHBondContact O-CB 3.42Å; N448-A452 PolarHBondContact O-N 3.31Å
449Q89Confident90.6Very high78 Ų7867.2 Ų67.236%0.36435%0.348SS..Hα-helixtrans-62.4-41.7176.1-165.6168.929.500111.6P373 M445 T446 K451 A452 L453P373-Q449 HydrophobicContact CG-CG 4.07Å; M445-Q449 WeakPolarHBondContact O-CB 3.23Å; M445-Q449 PolarHBondContact O-N 3.12Å; T446-Q449 PolarHBondContact O-N 3.06Å; Q449-K451 PolarHBondContact O-N 2.91Å; Q449-A452 PolarHBondContact O-N 3.08Å; Q449-L453 HydrophobicContact CG-CD1 4.34Å; Q449-L453 WeakPolarHBondContact O-CG 3.5Å; Q449-L453 PolarHBondContact O-N 3.38Å
450K88.2Confident90.3Very high142 Ų14271.8 Ų71.862%0.61736%0.363SS*.Hα-helixtrans-64.5-36.5174.2-169.5170.9-173.7170.80112.5T446 S447 N448 K454T446-K450 VanDerWaalsContact O-CB 3.29Å; T446-K450 WeakPolarHBondContact O-CB 3.29Å; T446-K450 PolarHBondContact O-N 2.96Å; S447-K450 PolarHBondContact O-N 3.4Å; N448-K450 VanDerWaalsContact C-N 3.34Å; N448-K450 PolarHBondContact O-N 3.48Å; K450-K454 WeakPolarHBondContact O-CB 3.33Å; K450-K454 WeakPolarHBondContact O-CG 3.39Å; K450-K454 PolarHBondContact O-N 3.33Å; K450-K454 VanDerWaalsContact O-N 3.13Å
451K91.4Very high89.8Confident129 Ų12974 Ų7456%0.56138%0.375SS*.Hα-helixtrans-66.9-44.9172.1-72.8168.9-174.3177.20111.6S447 N448 Q449 K454 A455S447-K451 VanDerWaalsContact O-CG 3.27Å; S447-K451 WeakPolarHBondContact O-CG 3.42Å; S447-K451 PolarHBondContact O-N 2.86Å; N448-K451 WeakPolarHBondContact O-CB 3.45Å; N448-K451 PolarHBondContact O-N 3.42Å; Q449-K451 PolarHBondContact O-N 2.91Å; K451-K454 PolarHBondContact O-N 2.92Å; K451-A455 WeakPolarHBondContact O-CB 3.42Å; K451-A455 PolarHBondContact O-N 2.87Å
452A88.8Confident89.6Confident59 Ų5979.5 Ų79.549%0.48840%0.398SS..Hα-helixtrans-62.6-49.2179.400000111.9N448 Q449 K454 A455 E456N448-A452 WeakPolarHBondContact O-CB 3.42Å; N448-A452 PolarHBondContact O-N 3.31Å; Q449-A452 PolarHBondContact O-N 3.08Å; A452-K454 VanDerWaalsContact C-N 3.33Å; A452-K454 PolarHBondContact O-N 3.04Å; A452-A455 PolarHBondContact O-N 3.1Å; A452-A455 VanDerWaalsContact O-N 3.17Å; A452-E456 WeakPolarHBondContact O-CB 3.44Å; A452-E456 PolarHBondContact O-N 3.48Å
453L85.2Confident89.4Confident42 Ų4280 Ų8022%0.2240%0.404CS..Hα-helixtrans-63.5-36.7177-66.4174.3000112.3P370 P373 Q449 H457P370-L453 HydrophobicContact CB-CB 4.09Å; P370-L453 HydrophobicContact CB-CD2 4.08Å; P370-L453 HydrophobicContact CB-CG 4.48Å; P370-L453 HydrophobicContact CG-CB 4.34Å; P373-L453 HydrophobicContact CG-CD1 4.28Å; Q449-L453 HydrophobicContact CG-CD1 4.34Å; Q449-L453 WeakPolarHBondContact O-CG 3.5Å; Q449-L453 PolarHBondContact O-N 3.38Å; L453-H457 WeakPolarHBondContact O-CB 3.4Å; L453-H457 PolarHBondContact O-N 2.94Å
454K88.4Confident89Confident139 Ų13973.6 Ų73.660%0.60438%0.377SS*.Hα-helixtrans-64.2-44.9171.2-82.8-173.1170.1-162.60112.3K450 K451 A452 H457 T458K450-K454 WeakPolarHBondContact O-CB 3.33Å; K450-K454 WeakPolarHBondContact O-CG 3.39Å; K450-K454 PolarHBondContact O-N 3.33Å; K450-K454 VanDerWaalsContact O-N 3.13Å; K451-K454 PolarHBondContact O-N 2.92Å; A452-K454 VanDerWaalsContact C-N 3.33Å; A452-K454 PolarHBondContact O-N 3.04Å; K454-H457 PolarHBondContact O-N 3.24Å; K454-T458 WeakPolarHBondContact O-CB 3.46Å; K454-T458 PolarHBondContact O-N 3.44Å; K454-T458 PolarHBondContact O-OG1 3.39Å
455A90Very high88.6Confident49 Ų4978.4 Ų78.441%0.40540%0.396SS..Hα-helixtrans-64.9-40.9178.900000111.8K451 A452 T458 N459K451-A455 WeakPolarHBondContact O-CB 3.42Å; K451-A455 PolarHBondContact O-N 2.87Å; A452-A455 PolarHBondContact O-N 3.1Å; A452-A455 VanDerWaalsContact O-N 3.17Å; A455-T458 PolarHBondContact O-N 3.03Å; A455-N459 WeakPolarHBondContact O-CB 3.33Å; A455-N459 VanDerWaalsContact O-CG 3.27Å; A455-N459 PolarHBondContact O-N 3.22Å; A455-N459 PolarHBondContact O-ND2 3Å
456E86.6Confident88.4Confident84 Ų8481.5 Ų81.539%0.39342%0.416SS..Hα-helixtrans-60.2-48.7173.2-165.2-159.7145.700111.2A452 N459 R460A452-E456 WeakPolarHBondContact O-CB 3.44Å; A452-E456 PolarHBondContact O-N 3.48Å; E456-N459 PolarHBondContact O-N 3.04Å; E456-R460 WeakPolarHBondContact O-CG 3.4Å; E456-R460 PolarHBondContact O-N 3.19Å; E456-R460 IonicContact OE1-CZ 3.88Å; E456-R460 IonicContact OE1-NE 2.66Å; E456-R460 PolarHBondContact OE1-NE 3.22Å; E456-R460 IonicContact OE1-NH2 2.74Å; E456-R460 PolarHBondContact OE1-NH2 3.47Å
457H84.8Confident88.3Confident67 Ų6786 Ų8631%0.3143%0.43SS..Hα-helixtrans-58.7-49.5176.1-179.1-102.6000111.8L453 K454 N459 R460 L461L453-H457 WeakPolarHBondContact O-CB 3.4Å; L453-H457 PolarHBondContact O-N 2.94Å; K454-H457 PolarHBondContact O-N 3.24Å; H457-N459 VanDerWaalsContact C-N 3.29Å; H457-N459 PolarHBondContact O-N 3.32Å; H457-R460 WeakPolarHBondContact O-CB 3.21Å; H457-R460 PolarHBondContact O-N 2.97Å; H457-R460 VanDerWaalsContact O-N 3.14Å; H457-L461 VanDerWaalsContact CE1-CD1 3.43Å; H457-L461 WeakPolarHBondContact CE1-CD1 3.5Å; H457-L461 WeakPolarHBondContact O-CD1 3.45Å; H457-L461 PolarHBondContact O-N 3.47Å
458T89Confident87.8Confident67 Ų6784.1 Ų84.141%0.41142%0.418SS..Hα-helixtrans-59.7-37.2175.7-65.40000112.5K454 A455 L461 K462K454-T458 WeakPolarHBondContact O-CB 3.46Å; K454-T458 PolarHBondContact O-N 3.44Å; K454-T458 PolarHBondContact O-OG1 3.39Å; A455-T458 PolarHBondContact O-N 3.03Å; T458-L461 PolarHBondContact O-N 3.43Å; T458-K462 HydrophobicContact CG2-CD 4.33Å; T458-K462 WeakPolarHBondContact O-CB 3.37Å; T458-K462 WeakPolarHBondContact O-CG 3.31Å; T458-K462 PolarHBondContact O-N 2.97Å
459N89.5Confident87.6Confident83 Ų8387.4 Ų87.444%0.44444%0.435SS..Hα-helixtrans-71.2-36175.4-73.8-26.7000112.3A455 E456 H457 K462 N463A455-N459 WeakPolarHBondContact O-CB 3.33Å; A455-N459 VanDerWaalsContact O-CG 3.27Å; A455-N459 PolarHBondContact O-N 3.22Å; A455-N459 PolarHBondContact O-ND2 3Å; E456-N459 PolarHBondContact O-N 3.04Å; H457-N459 VanDerWaalsContact C-N 3.29Å; H457-N459 PolarHBondContact O-N 3.32Å; N459-K462 PolarHBondContact O-N 3.46Å; N459-N463 VanDerWaalsContact O-CB 3.32Å; N459-N463 WeakPolarHBondContact O-CB 3.5Å; N459-N463 PolarHBondContact O-N 3.08Å; N459-N463 PolarHBondContact O-ND2 3.46Å
460R87.1Confident87.6Confident131 Ų13189.1 Ų89.149%0.49444%0.443SS..Hα-helixtrans-59.8-45.9170.5-72.2171.7178.7-104.34.7111.2I367 E456 H457 N463 A464I367-R460 HydrophobicContact CG2-CB 4.37Å; E456-R460 WeakPolarHBondContact O-CG 3.4Å; E456-R460 PolarHBondContact O-N 3.19Å; E456-R460 IonicContact OE1-CZ 3.88Å; E456-R460 IonicContact OE1-NE 2.66Å; E456-R460 PolarHBondContact OE1-NE 3.22Å; E456-R460 IonicContact OE1-NH2 2.74Å; E456-R460 PolarHBondContact OE1-NH2 3.47Å; H457-R460 WeakPolarHBondContact O-CB 3.21Å; H457-R460 PolarHBondContact O-N 2.97Å; H457-R460 VanDerWaalsContact O-N 3.14Å; R460-N463 PolarHBondContact O-N 3.43Å; R460-A464 PolarHBondContact O-N 2.94Å
461L86.1Confident87.5Confident49 Ų4986.4 Ų86.426%0.25743%0.433SS..Hα-helixtrans-61.7-49.7174.4-87.178.9000111.9L364 I367 H457 T458 N463 A464 F465L364-L461 HydrophobicContact CD2-CD2 4.48Å; L364-L461 HydrophobicContact CD2-CG 4.18Å; I367-L461 HydrophobicContact CD1-CD1 3.56Å; I367-L461 HydrophobicContact CD1-CG 3.84Å; H457-L461 VanDerWaalsContact CE1-CD1 3.43Å; H457-L461 WeakPolarHBondContact CE1-CD1 3.5Å; H457-L461 WeakPolarHBondContact O-CD1 3.45Å; H457-L461 PolarHBondContact O-N 3.47Å; T458-L461 PolarHBondContact O-N 3.43Å; L461-N463 VanDerWaalsContact C-N 3.31Å; L461-N463 PolarHBondContact O-N 3.38Å; L461-A464 WeakPolarHBondContact O-CB 3.24Å; L461-A464 PolarHBondContact O-N 3.21Å; L461-A464 VanDerWaalsContact O-N 3.08Å; L461-F465 HydrophobicContact CB-CE2 4.36Å; L461-F465 WeakPolarHBondContact O-CD2 3.4Å; L461-F465 PolarHBondContact O-N 3.41Å
462K89.8Confident86.9Confident121 Ų12183.2 Ų83.253%0.52642%0.42SS..Hα-helixtrans-56-44.8177.3-76.5176.7176.5-175.70111.9T458 N459 A464 F465 V466T458-K462 HydrophobicContact CG2-CD 4.33Å; T458-K462 WeakPolarHBondContact O-CB 3.37Å; T458-K462 WeakPolarHBondContact O-CG 3.31Å; T458-K462 PolarHBondContact O-N 2.97Å; N459-K462 PolarHBondContact O-N 3.46Å; K462-A464 VanDerWaalsContact C-N 3.32Å; K462-A464 PolarHBondContact O-N 3.09Å; K462-F465 PolarHBondContact O-N 3.4Å; K462-V466 WeakPolarHBondContact O-CG2 3.41Å; K462-V466 PolarHBondContact O-N 3.21Å
463N88.9Confident86.9Confident101 Ų10185.2 Ų85.254%0.5442%0.419SS..Hα-helixtrans-66-32.6177.6-71.8-23.4000112.6N459 R460 L461 K467N459-N463 VanDerWaalsContact O-CB 3.32Å; N459-N463 WeakPolarHBondContact O-CB 3.5Å; N459-N463 PolarHBondContact O-N 3.08Å; N459-N463 PolarHBondContact O-ND2 3.46Å; R460-N463 PolarHBondContact O-N 3.43Å; L461-N463 VanDerWaalsContact C-N 3.31Å; L461-N463 PolarHBondContact O-N 3.38Å; N463-K467 WeakPolarHBondContact O-CB 3.32Å; N463-K467 VanDerWaalsContact O-CG 3.3Å; N463-K467 WeakPolarHBondContact O-CG 3.5Å; N463-K467 PolarHBondContact O-N 3.03Å; N463-K467 VanDerWaalsContact O-N 3.11Å
464A83.9Confident87.1Confident15 Ų1587.2 Ų87.212%0.12443%0.427CS..Hα-helixtrans-66.6-45.517100000111.6T363 R460 L461 K462 K467 A468T363-A464 HydrophobicContact CG2-CB 4.22Å; R460-A464 PolarHBondContact O-N 2.94Å; L461-A464 WeakPolarHBondContact O-CB 3.24Å; L461-A464 PolarHBondContact O-N 3.21Å; L461-A464 VanDerWaalsContact O-N 3.08Å; K462-A464 VanDerWaalsContact C-N 3.32Å; K462-A464 PolarHBondContact O-N 3.09Å; A464-K467 PolarHBondContact O-N 2.91Å; A464-A468 WeakPolarHBondContact O-CB 3.35Å; A464-A468 PolarHBondContact O-N 3.31Å
465F86.7Confident86.7Confident117 Ų11783 Ų8351%0.51341%0.411SS..Hα-helixtrans-66.5-34176.6-72.3-63.6000113.9L364 L461 K462 A468 L469L364-F465 HydrophobicContact CD1-CE1 3.97Å; L364-F465 HydrophobicContact CD1-CZ 3.88Å; L364-F465 HydrophobicContact CD2-CE1 4.45Å; L364-F465 HydrophobicContact CD2-CE2 4.02Å; L364-F465 HydrophobicContact CD2-CZ 3.85Å; L461-F465 HydrophobicContact CB-CE2 4.36Å; L461-F465 WeakPolarHBondContact O-CD2 3.4Å; L461-F465 PolarHBondContact O-N 3.41Å; K462-F465 PolarHBondContact O-N 3.4Å; F465-A468 VanDerWaalsContact O-CB 3.3Å; F465-A468 WeakPolarHBondContact O-CB 3.4Å; F465-A468 PolarHBondContact O-N 3.47Å; F465-L469 PolarHBondContact O-N 3.47Å
466V89.6Confident86.4Confident99 Ų9986.3 Ų86.360%0.642%0.418SS*.Hα-helixtrans-69-42.7174171.20000110.7K462 A468 L469 Q470K462-V466 WeakPolarHBondContact O-CG2 3.41Å; K462-V466 PolarHBondContact O-N 3.21Å; V466-A468 VanDerWaalsContact C-N 3.31Å; V466-A468 PolarHBondContact O-N 2.64Å; V466-L469 PolarHBondContact O-N 3.29Å; V466-Q470 WeakPolarHBondContact O-CB 3.38Å; V466-Q470 PolarHBondContact O-N 2.95Å
467K87.3Confident86.5Confident155 Ų15588.2 Ų88.267%0.67443%0.427SS*.Hα-helixtrans-62.9-37.4173.1-74.2178.8177.6-170.60112.3N463 A464 Q470 Q471N463-K467 WeakPolarHBondContact O-CB 3.32Å; N463-K467 VanDerWaalsContact O-CG 3.3Å; N463-K467 WeakPolarHBondContact O-CG 3.5Å; N463-K467 PolarHBondContact O-N 3.03Å; N463-K467 VanDerWaalsContact O-N 3.11Å; A464-K467 PolarHBondContact O-N 2.91Å; K467-Q470 PolarHBondContact O-N 2.6Å; K467-Q471 VanDerWaalsContact O-CB 3.3Å; K467-Q471 WeakPolarHBondContact O-CB 3.5Å; K467-Q471 PolarHBondContact O-N 3.06Å
468A80.8Confident86.4Confident8 Ų891.8 Ų91.87%0.06644%0.438CS..Hα-helixtrans-56-55.4173.700000112L360 A464 F465 V466 Q470 Q471 E472L360-A468 HydrophobicContact CD1-CB 3.5Å; L360-A468 HydrophobicContact CD2-CB 3.33Å; L360-A468 HydrophobicContact CG-CB 4.01Å; A464-A468 WeakPolarHBondContact O-CB 3.35Å; A464-A468 PolarHBondContact O-N 3.31Å; F465-A468 VanDerWaalsContact O-CB 3.3Å; F465-A468 WeakPolarHBondContact O-CB 3.4Å; F465-A468 PolarHBondContact O-N 3.47Å; V466-A468 VanDerWaalsContact C-N 3.31Å; V466-A468 PolarHBondContact O-N 2.64Å; A468-Q470 VanDerWaalsContact C-N 3.33Å; A468-Q470 PolarHBondContact O-N 3.01Å; A468-Q471 PolarHBondContact O-N 3.11Å; A468-E472 PolarHBondContact O-N 3.29Å
469L88.1Confident85.9Confident100 Ų10090.3 Ų90.352%0.52443%0.427SS..Hα-helixtrans-64.2-40-177.9-171.966000111.3F465 V466 E472 Q473F465-L469 PolarHBondContact O-N 3.47Å; V466-L469 PolarHBondContact O-N 3.29Å; L469-E472 PolarHBondContact O-N 2.89Å; L469-Q473 WeakPolarHBondContact O-CG 3.36Å; L469-Q473 PolarHBondContact O-N 3.36Å
470Q89.2Confident85.6Confident114 Ų11493 Ų9353%0.53344%0.437SS..Hα-helixtrans-64.3-39.8176.2-173.960.886.600112.4V466 K467 A468 E474V466-Q470 WeakPolarHBondContact O-CB 3.38Å; V466-Q470 PolarHBondContact O-N 2.95Å; K467-Q470 PolarHBondContact O-N 2.6Å; A468-Q470 VanDerWaalsContact C-N 3.33Å; A468-Q470 PolarHBondContact O-N 3.01Å; Q470-E474 WeakPolarHBondContact O-CB 3.32Å; Q470-E474 PolarHBondContact O-N 3.28Å
471Q85.5Confident85.5Confident86 Ų8691.6 Ų91.640%0.40244%0.436SS..Hα-helixtrans-72.5-34.4177.4-172.6174.7-2.400112L356 K467 A468 E474 I475L356-Q471 HydrophobicContact CD1-CB 4.22Å; L356-Q471 HydrophobicContact CD1-CG 3.94Å; K467-Q471 VanDerWaalsContact O-CB 3.3Å; K467-Q471 WeakPolarHBondContact O-CB 3.5Å; K467-Q471 PolarHBondContact O-N 3.06Å; A468-Q471 PolarHBondContact O-N 3.11Å; Q471-E474 PolarHBondContact O-N 2.9Å; Q471-I475 HydrophobicContact CG-CD1 4.15Å; Q471-I475 VanDerWaalsContact O-CG1 3.27Å; Q471-I475 WeakPolarHBondContact O-CG1 3.35Å; Q471-I475 PolarHBondContact O-N 2.95Å
472E80.3Confident85Confident61 Ų6195.6 Ų95.629%0.28545%0.453SS..Hα-helixtrans-63.3-45.6172.7-169.2160.2-155.200111K353 L356 A468 L469 E474 I475 E476K353-E472 WeakPolarHBondContact CE-OE1 3.47Å; K353-E472 IonicContact NZ-OE1 2.75Å; K353-E472 PolarHBondContact NZ-OE1 2.94Å; L356-E472 HydrophobicContact CD2-CB 3.75Å; L356-E472 HydrophobicContact CD2-CG 4.3Å; A468-E472 PolarHBondContact O-N 3.29Å; L469-E472 PolarHBondContact O-N 2.89Å; E472-E474 PolarHBondContact O-N 3.44Å; E472-I475 PolarHBondContact O-N 3.27Å; E472-E476 WeakPolarHBondContact O-CB 3.48Å; E472-E476 PolarHBondContact O-N 3.37Å
473Q88.7Confident84.3Confident101 Ų10192.9 Ų92.947%0.47245%0.454SS..Hα-helixtrans-63.7-37.5174.1-71.6175.1-1.400113.2L469 E476 Q477L469-Q473 WeakPolarHBondContact O-CG 3.36Å; L469-Q473 PolarHBondContact O-N 3.36Å; Q473-E476 PolarHBondContact O-N 3.26Å; Q473-Q477 WeakPolarHBondContact O-CB 3.36Å; Q473-Q477 PolarHBondContact O-N 3.31Å
474E88.5Confident83.3Confident85 Ų8591.9 Ų91.940%0.39746%0.459SS..Hα-helixtrans-66.8-41176.6-164.4-166.7149.800111.6Q470 Q471 E472 Q477 R478Q470-E474 WeakPolarHBondContact O-CB 3.32Å; Q470-E474 PolarHBondContact O-N 3.28Å; Q471-E474 PolarHBondContact O-N 2.9Å; E472-E474 PolarHBondContact O-N 3.44Å; E474-Q477 PolarHBondContact O-N 2.9Å; E474-R478 WeakPolarHBondContact O-CB 3.42Å; E474-R478 VanDerWaalsContact O-CG 3.25Å; E474-R478 WeakPolarHBondContact O-CG 3.35Å; E474-R478 PolarHBondContact O-N 2.95Å; E474-R478 IonicContact OE1-CZ 2.83Å; E474-R478 IonicContact OE1-NE 3.71Å; E474-R478 PolarHBondContact OE1-NE 3.43Å; E474-R478 IonicContact OE1-NH2 2.69Å; E474-R478 PolarHBondContact OE1-NH2 2.85Å
475I80Confident82.2Confident51 Ų5197.5 Ų97.526%0.26249%0.487SS..Hα-helixtrans-64.6-43.5175.7-70.1166.3000110.6A352 L356 Q471 E472 R478 L479A352-I475 HydrophobicContact CB-CG2 4.34Å; L356-I475 HydrophobicContact CD2-CD1 4.29Å; Q471-I475 HydrophobicContact CG-CD1 4.15Å; Q471-I475 VanDerWaalsContact O-CG1 3.27Å; Q471-I475 WeakPolarHBondContact O-CG1 3.35Å; Q471-I475 PolarHBondContact O-N 2.95Å; E472-I475 PolarHBondContact O-N 3.27Å; I475-R478 PolarHBondContact O-N 2.99Å; I475-L479 WeakPolarHBondContact O-CB 3.5Å; I475-L479 PolarHBondContact O-N 3.47Å
476E84.9Confident80.3Confident118 Ų11896.5 Ų96.555%0.55149%0.494SS*.Hα-helixtrans-64.1-42.3177.6-169.8159.4-113.100112E472 Q473 L479 Q480E472-E476 WeakPolarHBondContact O-CB 3.48Å; E472-E476 PolarHBondContact O-N 3.37Å; Q473-E476 PolarHBondContact O-N 3.26Å; E476-L479 PolarHBondContact O-N 3.27Å; E476-Q480 PolarHBondContact O-N 3.33Å
477Q87.5Confident78.4Confident124 Ų12497.1 Ų97.158%0.57950%0.5SS*.Hα-helixtrans-63.8-44.3174.3-172.8-176.410700112.3Q473 E474 L479 Q480 Q481Q473-Q477 WeakPolarHBondContact O-CB 3.36Å; Q473-Q477 PolarHBondContact O-N 3.31Å; E474-Q477 PolarHBondContact O-N 2.9Å; Q477-L479 VanDerWaalsContact C-N 3.33Å; Q477-L479 PolarHBondContact O-N 2.75Å; Q477-Q480 PolarHBondContact O-N 2.87Å; Q477-Q481 WeakPolarHBondContact O-CG 3.4Å; Q477-Q481 PolarHBondContact O-N 3.05Å
478R82.7Confident76.5Confident142 Ų14296.4 Ų96.454%0.53651%0.509SS..Hα-helixtrans-62.9-39.2176.5-75.1172179.8-92.45.8111.8E474 I475 Q481 Q482E474-R478 WeakPolarHBondContact O-CB 3.42Å; E474-R478 VanDerWaalsContact O-CG 3.25Å; E474-R478 WeakPolarHBondContact O-CG 3.35Å; E474-R478 PolarHBondContact O-N 2.95Å; E474-R478 IonicContact OE1-CZ 2.83Å; E474-R478 IonicContact OE1-NE 3.71Å; E474-R478 PolarHBondContact OE1-NE 3.43Å; E474-R478 IonicContact OE1-NH2 2.69Å; E474-R478 PolarHBondContact OE1-NH2 2.85Å; I475-R478 PolarHBondContact O-N 2.99Å; R478-Q481 PolarHBondContact O-N 3.27Å; R478-Q482 WeakPolarHBondContact O-CG 3.45Å; R478-Q482 PolarHBondContact O-N 3.17Å
479L78.9Confident74.8Confident36 Ų36102.1 Ų102.119%0.18854%0.543CS..Hα-helixtrans-66.5-42.9176.6-176.664.4000111.7Q349 I475 E476 Q477 Q481 Q482 A483Q349-L479 HydrophobicContact CB-CD2 3.74Å; Q349-L479 HydrophobicContact CG-CD2 3.49Å; Q349-L479 VanDerWaalsContact CG-CD2 3.49Å; I475-L479 WeakPolarHBondContact O-CB 3.5Å; I475-L479 PolarHBondContact O-N 3.47Å; E476-L479 PolarHBondContact O-N 3.27Å; Q477-L479 VanDerWaalsContact C-N 3.33Å; Q477-L479 PolarHBondContact O-N 2.75Å; L479-Q481 VanDerWaalsContact C-N 3.28Å; L479-Q481 PolarHBondContact O-N 3.27Å; L479-Q482 PolarHBondContact O-N 3.01Å; L479-Q482 VanDerWaalsContact O-N 3.16Å; L479-A483 PolarHBondContact O-N 2.94Å
480Q83.2Confident72.7Confident138 Ų138101.6 Ų101.665%0.64555%0.553SS**Hα-helixtrans-62.1-36.4175.6-170.962.229.500112.1E476 Q477 A484E476-Q480 PolarHBondContact O-N 3.33Å; Q477-Q480 PolarHBondContact O-N 2.87Å; Q480-A484 WeakPolarHBondContact O-CB 3.5Å; Q480-A484 PolarHBondContact O-N 3.08Å; Q480-A484 VanDerWaalsContact O-N 3.14Å
481Q84.1Confident70.7Confident103 Ų103102.2 Ų102.248%0.48157%0.567SS.*Hα-helixtrans-66.6-41.8172.5-70.6173.120.900112.1Q477 R478 L479 A484 L485Q477-Q481 WeakPolarHBondContact O-CG 3.4Å; Q477-Q481 PolarHBondContact O-N 3.05Å; R478-Q481 PolarHBondContact O-N 3.27Å; L479-Q481 VanDerWaalsContact C-N 3.28Å; L479-Q481 PolarHBondContact O-N 3.27Å; Q481-A484 PolarHBondContact O-N 2.97Å; Q481-L485 WeakPolarHBondContact O-CB 3.31Å; Q481-L485 WeakPolarHBondContact O-CD1 3.46Å; Q481-L485 VanDerWaalsContact O-CG 3.25Å; Q481-L485 WeakPolarHBondContact O-CG 3.4Å; Q481-L485 PolarHBondContact O-N 2.92Å
482Q76.4Confident68.5Low132 Ų132102.8 Ų102.862%0.61759%0.586SS**Hα-helixtrans-64.7-40.4175.8-73177.12.100112.3R478 L479 A484 L485R478-Q482 WeakPolarHBondContact O-CG 3.45Å; R478-Q482 PolarHBondContact O-N 3.17Å; L479-Q482 PolarHBondContact O-N 3.01Å; L479-Q482 VanDerWaalsContact O-N 3.16Å; Q482-A484 VanDerWaalsContact C-N 3.29Å; Q482-A484 PolarHBondContact O-N 3.04Å; Q482-L485 PolarHBondContact O-N 3.17Å
483A74.2Confident66.7Low65 Ų65106.5 Ų106.554%0.53761%0.613SS.*Hα-helixtrans-60.5-38.2174.400000112.1L479 L485L479-A483 PolarHBondContact O-N 2.94Å; A483-L485 VanDerWaalsContact C-N 3.32Å; A483-L485 PolarHBondContact O-N 3.42Å
484A68.3Low64.6Low79 Ų79106.8 Ų106.865%0.65363%0.626SS**Hα-helixtrans-76.2-12.217800000114.8Q480 Q481 Q482Q480-A484 WeakPolarHBondContact O-CB 3.5Å; Q480-A484 PolarHBondContact O-N 3.08Å; Q480-A484 VanDerWaalsContact O-N 3.14Å; Q481-A484 PolarHBondContact O-N 2.97Å; Q482-A484 VanDerWaalsContact C-N 3.29Å; Q482-A484 PolarHBondContact O-N 3.04Å
485L61Low62.4Low134 Ų134107.8 Ų107.870%0.70264%0.642SS**THydrogen-bonded Turntrans-108.68.4-173.9-71.5172.2000114.3Q481 Q482 A483 P487Q481-L485 WeakPolarHBondContact O-CB 3.31Å; Q481-L485 WeakPolarHBondContact O-CD1 3.46Å; Q481-L485 VanDerWaalsContact O-CG 3.25Å; Q481-L485 WeakPolarHBondContact O-CG 3.4Å; Q481-L485 PolarHBondContact O-N 2.92Å; Q482-L485 PolarHBondContact O-N 3.17Å; A483-L485 VanDerWaalsContact C-N 3.32Å; A483-L485 PolarHBondContact O-N 3.42Å; L485-P487 WeakPolarHBondContact O-CD 3.28Å
486S47.8Very low60.8Low95 Ų95111.5 Ų111.566%0.66467%0.667SS**  trans-72.8108.6171.6-63.70000111T488S486-T488 PolarHBondContact O-N 3.11Å
487P49.9Very low58.6Low112 Ų112110.4 Ų110.473%0.72767%0.673SS**  trans-81.3120.5-177.8-5.525.3000109.7L485 T489L485-P487 WeakPolarHBondContact O-CD 3.28Å; P487-T489 PolarHBondContact O-N 3.02Å; P487-T489 VanDerWaalsContact O-N 3.15Å
488T46.4Very low56.4Low141 Ų141113.3 Ų113.387%0.86568%0.683SS**  trans-77.9103.4179.2-158.90000111S486 A490S486-T488 PolarHBondContact O-N 3.11Å; T488-A490 PolarHBondContact O-N 3.47Å
489T45.5Very low54.4Low128 Ų128114.7 Ų114.779%0.78570%0.696SS**  trans-93.192173.853.50000109.7P487P487-T489 PolarHBondContact O-N 3.02Å; P487-T489 VanDerWaalsContact O-N 3.15Å
490A43.1Very low52.7Low88 Ų88119.7 Ų119.773%0.72772%0.718SS**  trans-82140.2179.500000112.7T488T488-A490 PolarHBondContact O-N 3.47Å
491P47Very low50.7Low127 Ų127117.8 Ų117.883%0.82572%0.716SS**  trans-114.1129.6147.534.1-25.2000110
492A39.4Very low49Very low98 Ų98119.6 Ų119.681%0.8173%0.728SS**  trans-124.1114.7-18000000111.2
493V44.1Very low47.5Very low139 Ų139119.3 Ų119.384%0.84273%0.728SS**  trans-143.2139168.3-75.80000111.4
494S44.8Very low46.3Very low107 Ų107125.5 Ų125.575%0.74874%0.737SS**  trans61.271.7150.2-52.30000120.9
495S41.9Very low45.1Very low106 Ų106130.5 Ų130.574%0.74175%0.747SS**  44.7128.8112.2680000123
496V45Very low44.3Very low129 Ų129131.8 Ų131.878%0.78275%0.749SS**  trans99.3118.3135167.90000121.1
497S40.3Very low43.7Very low96 Ų96133.7 Ų133.767%0.67176%0.756SS**  trans71.7143.6153.4-76.10000120.6
498K41Very low43.3Very low185 Ų185135.8 Ų135.880%0.80476%0.761SS**  cis-169.1172.2-20.5-123.5173-171.8178.60108.6
499Q41Very low42.9Very low170 Ų170138.8 Ų138.879%0.79476%0.756SS**  trans64.9151.4-179.9-71.7-175.8-86.200113.3
500E41.3Very low42.7Very low142 Ų142141.1 Ų141.166%0.66476%0.758SS**  cis-170.2169.3-20.4-121.9-1718800108.4
501T41.4Very low42.4Very low97 Ų97141 Ų14160%0.59576%0.757SS**  cis-149.5-174.2-5.6-25.70000108.1
502I48.6Very low42Very low141 Ų141141 Ų14172%0.72376%0.758SS**  trans80.4121.8147.2-78163.3000120.6
503M46.3Very low42.1Very low126 Ų126144.7 Ų144.762%0.62176%0.758SS**  trans94.7103.2147.6-120.556.699.200123.9
504R47.5Very low41.8Very low196 Ų196143 Ų14374%0.7475%0.749SS**  trans62.7112.3143.1-65.1170.8-175.8123.15.3118.5
505H44.6Very low41.6Very low183 Ų183146.8 Ų146.885%0.84776%0.755SS**  62.2129.766.4-57.7-60.6000113.1
506H42.8Very low41.4Very low162 Ų162147.2 Ų147.275%0.7576%0.758SS**  cis-156169.516.969.1-60.4000112.3
507T36.2Very low40.9Very low134 Ų134146 Ų14682%0.82276%0.755SS**  trans-139.9124.6170.1460000112
508L42.1Very low41Very low156 Ų156148.7 Ų148.782%0.81776%0.762SS**  trans-149.2147.2161.1-73.8174.8000106.5
509R37.5Very low40.9Very low204 Ų204146.3 Ų146.377%0.7775%0.754SS**  cis166.7147.7-14.2172.6-174.5167.8-128.4-5.8103
510Q41.1Very low40.7Very low177 Ų177148.5 Ų148.583%0.82775%0.754SS**  trans95.5143.9178.7-56.8164.793.500114.3
511A37.3Very low40.4Very low85 Ų85145.2 Ų145.270%0.70276%0.759SS**  cis-163.1139-24.800000109.3
512P37.4Very low40.5Very low129 Ų129148.3 Ų148.384%0.83877%0.77SS**  trans-89.8142.6172.734.3-31.9000112.3
513Q42.6Very low40.1Very low175 Ų175147.3 Ų147.382%0.81877%0.773SS**  trans-129.3124.7174.6-101.6-75.414.600109.6
514P36.2Very low39.9Very low102 Ų102148 Ų14866%0.66278%0.784SS**  trans-98.4-168.1176.339.1-34.5000112.5
515Q42.2Very low39.6Very low187 Ų187144 Ų14487%0.87479%0.787SS**  trans76.9147.5-178.9-55.4-175.9-18.400114.2
516S37.7Very low39.5Very low115 Ų115139.9 Ų139.980%0.80478%0.784SS**  cis-146.6165.6-3.4390000111.9
517S34.4Very low39.4Very low103 Ų103143.1 Ų143.172%0.7279%0.789SS**  trans-81.1150.9174.4530000113.1
518L41.6Very low39.4Very low153 Ų153141.7 Ų141.780%0.80179%0.785SS**  -178169.9125.2-97.3166000113.5
519Q39.7Very low39.7Very low136 Ų136142.6 Ų142.664%0.63679%0.787SS**  trans-45.1167.5-179-50.9164.13.800115.7
520R37.2Very low39.8Very low215 Ų215141.8 Ų141.881%0.81180%0.797SS**  cis-170.3140.330.5-166.5175.6-72.1-166.9-1.4113.4
521G33.6Very low39.7Very low73 Ų73137.7 Ų137.775%0.75379%0.788SS**  trans70.1166.6162.800000116.5
522I43.4Very low39.8Very low163 Ų163141 Ų14184%0.83679%0.794SS**  cis-138.3135.6-2.4-54171.8000107.6
523P41.3Very low39.9Very low120 Ų120144 Ų14478%0.77979%0.794SS**  trans-99.9135-177.735.5-30.2000113.6
524T42.4Very low39.8Very low139 Ų139139.5 Ų139.585%0.85379%0.787SS**  trans-141135.7156.1-40.10000112
525S40.1Very low40Very low114 Ų114143.9 Ų143.980%0.79780%0.798SS**  trans-43.4159.3164-119.10000113.9
526A41.7Very low39.8Very low95 Ų95139 Ų13979%0.78579%0.79SS**  cis-142.9165.125.300000115.7
527R41.4Very low40.3Very low230 Ų230138.8 Ų138.887%0.86879%0.786SS**  trans-78.3159.1174.3-92.8173.2157.3161.7-8.7112.7
528S37.5Very low40.4Very low105 Ų105142.3 Ų142.373%0.73479%0.791SS**  trans65.8119.9153.1-59.10000118.8
529M47.1Very low40.2Very low174 Ų174142.4 Ų142.486%0.85779%0.791SS**  -177.982.4120.8-94.5-54.9-169.500109.8
530L39.5Very low40.1Very low187 Ų187141.1 Ų141.198%0.97980%0.798SS**  trans-115.764.8168.2-86.5175.8000110.3
531S38.4Very low40.2Very low91 Ų91137.5 Ų137.564%0.63680%0.799SS**  trans-164.4114.7158.3-167.10000112.1
532N41.2Very low40.3Very low155 Ų155140.1 Ų140.183%0.82980%0.803SS**  trans-173.9107.9138.1-97.5-11.6000105.3
533F38Very low40Very low192 Ų192136.5 Ų136.584%0.84281%0.805SS**  71.1135.867.3-154.6-86000112.2
534A40.3Very low39.7Very low80 Ų80133.9 Ų133.966%0.66180%0.801SS**  trans-85138.6-159.900000113.6
535Q41.5Very low39.5Very low194 Ų194135.2 Ų135.291%0.90780%0.802SS**  trans-152.9143.3148.4-108.7160.931.500109.7
536A38.3Very low39.5Very low86 Ų86137.6 Ų137.671%0.71180%0.804SS**  trans-97.7134.9179.600000110.2Q538A536-Q538 PolarHBondContact O-N 3.35Å; A536-Q538 VanDerWaalsContact O-N 3.13Å
537P48.5Very low39.2Very low110 Ų110135.8 Ų135.871%0.71480%0.795SS**  trans-75.3101.9172.630.3-32.6000110L539P537-L539 VanDerWaalsContact C-N 3.35Å; P537-L539 HydrophobicContact CB-CG 4.45Å; P537-L539 PolarHBondContact O-N 3.15Å
538Q35.5Very low39.4Very low177 Ų177133.6 Ų133.683%0.82780%0.797SS**  trans-69.591163.5-73.8-77.221.800108.8A536 S540A536-Q538 PolarHBondContact O-N 3.35Å; A536-Q538 VanDerWaalsContact O-N 3.13Å; Q538-S540 PolarHBondContact O-N 3.35Å
539L38Very low39.4Very low154 Ų154134.2 Ų134.281%0.80680%0.798SS**  trans-84.890.3175.1-72.7177000110.7P537P537-L539 VanDerWaalsContact C-N 3.35Å; P537-L539 HydrophobicContact CB-CG 4.45Å; P537-L539 PolarHBondContact O-N 3.15Å
540S37Very low38.9Very low109 Ų109129.4 Ų129.476%0.76279%0.793SS**  trans-71.2133.1163.7-56.40000110.5Q538Q538-S540 PolarHBondContact O-N 3.35Å
541V40.1Very low38.9Very low139 Ų139127.2 Ų127.284%0.84279%0.788SS**  trans-123.6113.7168.8-83.10000109
542P35.3Very low38.7Very low129 Ų129129.8 Ų129.884%0.83879%0.794SS**  trans-96.4156.5-177.636.2-33.9000113.4
543G36.7Very low38.6Very low86 Ų86130 Ų13089%0.88779%0.794SS**  trans102.3133.8170.200000114.5
544G35.2Very low38.4Very low66 Ų66124.4 Ų124.468%0.6878%0.783SS**  cis153.6137.4-10.900000112.7
545L38.6Very low38.1Very low166 Ų166131 Ų13187%0.86979%0.792SS**  trans63.9131.3174.3-65.8142.4000114.8
546L40.4Very low38.3Very low164 Ų164129.7 Ų129.786%0.85979%0.79SS**  cis-135.6167.5-4.5-54.893000107.7
547G34.4Very low38Very low57 Ų57132.4 Ų132.459%0.58879%0.793SS**  cis129.382.4-5.300000114.3
548M46.5Very low37.6Very low184 Ų184133.1 Ų133.191%0.90680%0.796SS**  trans-159.6154.9151.9-93.4-50.3101.100111.4
549P37.7Very low37.6Very low118 Ų118127.7 Ų127.777%0.76679%0.787SS**  trans-119.7168.3-170.242.4-32000116
550G34.9Very low37.9Very low73 Ų73129 Ų12975%0.75379%0.793SS**  trans110.4150.4171.500000113.3
551V40.8Very low38Very low141 Ų141127.4 Ų127.486%0.85579%0.794SS**  cis-135.31453.3-166.10000109.6
552N32.9Very low37.8Very low146 Ų146124.6 Ų124.678%0.78179%0.794SS**  trans-102.2125167.5174.4-9.4000108.7
553I41Very low38.2Very low159 Ų159127.3 Ų127.382%0.81579%0.794SS**  trans-145.8138.4157.1-104.9154.3000108.5
554A32.5Very low38.5Very low74 Ų74133.6 Ų133.661%0.61280%0.797SS**  trans-111.4174.5175.500000110.2
555Y34.9Very low39.6Very low219 Ų219133 Ų13386%0.85979%0.792SS**  trans64.8116.3172.7-92.2-105.2000116.5
556L44.3Very low40.9Very low166 Ų166128.7 Ų128.787%0.86977%0.774SS**  -163.3168.191.2-97.6167.4000110.8
557N33.8Very low42.8Very low143 Ų143123.8 Ų123.877%0.76575%0.753SS**  trans-139.3161.3-174.5-172.314.6000109.6
558T38.8Very low44.8Very low126 Ų126127.7 Ų127.777%0.77376%0.76SS**  trans73.6134.1174.7-39.90000114.9
559G37.1Very low46.5Very low63 Ų63121.8 Ų121.865%0.64974%0.74SS**  cis129.7108.8-11.500000114.6
560I42.3Very low48.5Very low180 Ų180119.7 Ų119.792%0.92372%0.723SS**  trans-158.5133.9167.426.8172.4000107.9
561G40.4Very low50.6Low77 Ų77124.2 Ų124.279%0.79472%0.717SS**  trans163.727.4-177.100000121.7H563G561-H563 PolarHBondContact O-N 3.43Å; G561-H563 VanDerWaalsContact O-N 3.14Å
562G35.6Very low52.6Low80 Ų80123 Ų12383%0.82570%0.702SS**SBendtrans79.3-5.6146.300000122.2
563H44Very low55.2Low185 Ų185124.1 Ų124.186%0.85670%0.695SS**  trans-132.6135.8168.7-76.9-78.5000112.6G561 G565G561-H563 PolarHBondContact O-N 3.43Å; G561-H563 VanDerWaalsContact O-N 3.14Å; H563-G565 PolarHBondContact O-N 3.39Å
564K41.8Very low57Low218 Ų218122.2 Ų122.295%0.94868%0.683SS**  trans-76.683174.4-68.4-170.4179.6-178.40110.5
565G58.9Low59.6Low55 Ų55126 Ų12657%0.56768%0.682SS**PPolyproline II helixtrans-61.7157.416200000111.2H563 S567H563-G565 PolarHBondContact O-N 3.39Å; G565-S567 PolarHBondContact O-N 2.91Å
566P66.7Low62.2Low75 Ų75120.5 Ų120.549%0.48767%0.668SS.*PPolyproline II helixtrans-57.8134.9178.224.6-33.9000110.4D570 R571P566-D570 HydrophobicContact CB-CB 3.84Å; P566-R571 HydrophobicContact CB-CG 3.94Å; P566-R571 HydrophobicContact CG-CG 3.84Å
567S79.6Confident63.8Low61 Ų61117.8 Ų117.843%0.42765%0.653SS.*PPolyproline II helixtrans-56.9158.8176.1-177.60000110.7G565 A569 D570 R571G565-S567 PolarHBondContact O-N 2.91Å; S567-A569 PolarHBondContact O-N 2.71Å; S567-A569 PolarHBondContact OG-N 3.36Å; S567-D570 WeakPolarHBondContact CB-OD2 3.39Å; S567-D570 PolarHBondContact N-OD2 3.42Å; S567-D570 WeakPolarHBondContact O-CA 3.47Å; S567-D570 PolarHBondContact O-N 3.25Å; S567-R571 PolarHBondContact O-N 3.28Å
568L77.4Confident66.1Low138 Ų138118.3 Ų118.372%0.72366%0.656SS**Hα-helixtrans-54.2-35.5166.7-171.5151.3000110.5Q572L568-Q572 VanDerWaalsContact O-CB 3.23Å; L568-Q572 WeakPolarHBondContact O-CB 3.5Å; L568-Q572 PolarHBondContact O-N 2.95Å
569A81.2Confident68Low61 Ų61117.8 Ų117.850%0.50465%0.646SS.*Hα-helixtrans-67-32.4172.700000113.8S567 R573S567-A569 PolarHBondContact O-N 2.71Å; S567-A569 PolarHBondContact OG-N 3.36Å; A569-R573 WeakPolarHBondContact O-CB 3.28Å; A569-R573 PolarHBondContact O-N 3.06Å
570D79.5Confident69.9Low73 Ų73119.6 Ų119.639%0.3964%0.64SS.*Hα-helixtrans-76.6-42.4177.6-60.6-45.2000110.9P566 S567 Q572 R573 E574P566-D570 HydrophobicContact CB-CB 3.84Å; S567-D570 WeakPolarHBondContact CB-OD2 3.39Å; S567-D570 PolarHBondContact N-OD2 3.42Å; S567-D570 WeakPolarHBondContact O-CA 3.47Å; S567-D570 PolarHBondContact O-N 3.25Å; D570-Q572 VanDerWaalsContact C-N 3.29Å; D570-Q572 PolarHBondContact O-N 3.36Å; D570-R573 CarbonylContact O-C 3.51Å; D570-R573 WeakPolarHBondContact O-CA 3.29Å; D570-R573 WeakPolarHBondContact O-CB 3.42Å; D570-R573 PolarHBondContact O-N 3.24Å; D570-E574 PolarHBondContact O-N 3.3Å
571R79.9Confident71.2Confident168 Ų168116 Ų11663%0.63463%0.628SS**Hα-helixtrans-65.4-34.6174.4-58.6-17380.7173.34.6111.7P566 S567 Y575P566-R571 HydrophobicContact CB-CG 3.94Å; P566-R571 HydrophobicContact CG-CG 3.84Å; S567-R571 PolarHBondContact O-N 3.28Å; R571-Y575 WeakPolarHBondContact O-CB 3.46Å; R571-Y575 PolarHBondContact O-N 3.11Å
572Q82.4Confident72.5Confident117 Ų117118.4 Ų118.455%0.54763%0.63SS.*Hα-helixtrans-69.8-31.9170.9-172.1170.3-15.900112L568 D570 L576L568-Q572 VanDerWaalsContact O-CB 3.23Å; L568-Q572 WeakPolarHBondContact O-CB 3.5Å; L568-Q572 PolarHBondContact O-N 2.95Å; D570-Q572 VanDerWaalsContact C-N 3.29Å; D570-Q572 PolarHBondContact O-N 3.36Å; Q572-L576 HydrophobicContact CG-CD1 4.39Å; Q572-L576 WeakPolarHBondContact O-CB 3.4Å; Q572-L576 WeakPolarHBondContact O-CD1 3.29Å; Q572-L576 VanDerWaalsContact O-CG 3.22Å; Q572-L576 WeakPolarHBondContact O-CG 2.98Å; Q572-L576 PolarHBondContact O-N 3.19Å
573R86.9Confident73.6Confident169 Ų169125.6 Ų125.664%0.63863%0.632SS**Hα-helixtrans-69-44.4171.2-176.3-171.3-69.8-103.13.1111.8A569 D570 L576 L577A569-R573 WeakPolarHBondContact O-CB 3.28Å; A569-R573 PolarHBondContact O-N 3.06Å; D570-R573 CarbonylContact O-C 3.51Å; D570-R573 WeakPolarHBondContact O-CA 3.29Å; D570-R573 WeakPolarHBondContact O-CB 3.42Å; D570-R573 PolarHBondContact O-N 3.24Å; R573-L576 PolarHBondContact O-N 3.2Å; R573-L577 HydrophobicContact CG-CD1 4.09Å; R573-L577 VanDerWaalsContact O-CG 3.29Å; R573-L577 WeakPolarHBondContact O-CG 3.39Å; R573-L577 PolarHBondContact O-N 2.91Å
574E80.1Confident73.7Confident118 Ų118121.5 Ų121.555%0.55162%0.624SS**Hα-helixtrans-56.8-50.8173.3-73.7-178.6132.500110.8D570 L576 L577 D578D570-E574 PolarHBondContact O-N 3.3Å; E574-L576 VanDerWaalsContact C-N 3.29Å; E574-L576 PolarHBondContact O-N 3.02Å; E574-L577 PolarHBondContact O-N 3.39Å; E574-D578 PolarHBondContact O-N 3.08Å
575Y87.2Confident73.9Confident154 Ų154119.2 Ų119.260%0.60462%0.621SS**Hα-helixtrans-58.5-39.1177.3-177.5-100.2000112.8R571 M579R571-Y575 WeakPolarHBondContact O-CB 3.46Å; R571-Y575 PolarHBondContact O-N 3.11Å; Y575-M579 HydrophobicContact CD1-CG 4.46Å; Y575-M579 HydrophobicContact CE1-CG 4.16Å; Y575-M579 HydrophobicContact CE1-SD 4.47Å; Y575-M579 WeakPolarHBondContact O-CB 3.29Å; Y575-M579 WeakPolarHBondContact O-CG 3.31Å; Y575-M579 PolarHBondContact O-N 2.76Å; Y575-M579 VanDerWaalsContact O-N 3.14Å
576L87.4Confident73.3Confident104 Ų104121.3 Ų121.355%0.54563%0.627SS.*Hα-helixtrans-71.5-26.8175.4-75.3170.3000113.5Q572 R573 E574 I580Q572-L576 HydrophobicContact CG-CD1 4.39Å; Q572-L576 WeakPolarHBondContact O-CB 3.4Å; Q572-L576 WeakPolarHBondContact O-CD1 3.29Å; Q572-L576 VanDerWaalsContact O-CG 3.22Å; Q572-L576 WeakPolarHBondContact O-CG 2.98Å; Q572-L576 PolarHBondContact O-N 3.19Å; R573-L576 PolarHBondContact O-N 3.2Å; E574-L576 VanDerWaalsContact C-N 3.29Å; E574-L576 PolarHBondContact O-N 3.02Å; L576-I580 WeakPolarHBondContact O-CG1 3.39Å
577L78.6Confident71.9Confident108 Ų108127 Ų12757%0.56565%0.647SS**Hα-helixtrans-77.8-43.8175.2-72.7167.5000111.5R573 E574 M579 I580R573-L577 HydrophobicContact CG-CD1 4.09Å; R573-L577 VanDerWaalsContact O-CG 3.29Å; R573-L577 WeakPolarHBondContact O-CG 3.39Å; R573-L577 PolarHBondContact O-N 2.91Å; E574-L577 PolarHBondContact O-N 3.39Å; L577-M579 PolarHBondContact O-N 3.25Å; L577-I580 HydrophobicContact CD2-CD1 4.27Å; L577-I580 WeakPolarHBondContact O-CB 3.39Å; L577-I580 PolarHBondContact O-N 3.1Å
578D81.9Confident70.3Confident155 Ų155129.6 Ų129.683%0.82967%0.665SS**Hα-helixtrans-67.2-22177.1-148.146.4000111.8E574 I580E574-D578 PolarHBondContact O-N 3.08Å; D578-I580 VanDerWaalsContact C-N 3.31Å; D578-I580 PolarHBondContact O-N 2.82Å
579M78.9Confident69Low115 Ų115130.9 Ų130.957%0.56767%0.671SS**THydrogen-bonded Turntrans-74.1-9.3169.1-82.8-103.856.300114.9Y575 L577 P581Y575-M579 HydrophobicContact CD1-CG 4.46Å; Y575-M579 HydrophobicContact CE1-CG 4.16Å; Y575-M579 HydrophobicContact CE1-SD 4.47Å; Y575-M579 WeakPolarHBondContact O-CB 3.29Å; Y575-M579 WeakPolarHBondContact O-CG 3.31Å; Y575-M579 PolarHBondContact O-N 2.76Å; Y575-M579 VanDerWaalsContact O-N 3.14Å; L577-M579 PolarHBondContact O-N 3.25Å; M579-P581 WeakPolarHBondContact O-CD 3.31Å
580I76.5Confident67.2Low101 Ų101133.7 Ų133.752%0.51869%0.687SS.*SBendtrans-88.8115.2176.9-60.8171.1000109L576 L577 D578L576-I580 WeakPolarHBondContact O-CG1 3.39Å; L577-I580 HydrophobicContact CD2-CD1 4.27Å; L577-I580 WeakPolarHBondContact O-CB 3.39Å; L577-I580 PolarHBondContact O-N 3.1Å; D578-I580 VanDerWaalsContact C-N 3.31Å; D578-I580 PolarHBondContact O-N 2.82Å
581P69.4Low65.7Low103 Ų103133.2 Ų133.267%0.66970%0.7SS**  trans-60135.6174.8-21.333.5000110.3M579 R583M579-P581 WeakPolarHBondContact O-CD 3.31Å; P581-R583 PolarHBondContact O-N 3.21Å
582P67.7Low63.8Low128 Ų128134.8 Ų134.883%0.83171%0.714SS**  trans-58118.1-179.323-33.1000109.5S584P582-S584 PolarHBondContact O-N 3.11Å
583R59.7Low61.8Low231 Ų231142.5 Ų142.587%0.87275%0.746SS**  trans-65.5110.4-178.8-64.4-102.3-87.5-140.6-6.1107.4P581 I585P581-R583 PolarHBondContact O-N 3.21Å; R583-I585 PolarHBondContact O-N 3.24Å; R583-I585 VanDerWaalsContact O-N 3.13Å
584S46.9Very low60.5Low100 Ų100141.2 Ų141.270%0.69975%0.751SS**  trans-52.4120.217551.30000109.1P582 S586P582-S584 PolarHBondContact O-N 3.11Å; S584-S586 PolarHBondContact O-N 3.01Å
585I45.2Very low59.5Low169 Ų169142.4 Ų142.487%0.86776%0.762SS**  trans-78.170.5-174.5-165165.2000110.2R583 Q587R583-I585 PolarHBondContact O-N 3.24Å; R583-I585 VanDerWaalsContact O-N 3.13Å; I585-Q587 PolarHBondContact O-N 2.68Å
586S45.7Very low57.9Low100 Ų100141.8 Ų141.870%0.69977%0.771SS**  trans-64.5125.8-179.7-64.10000110.2S584 S588S584-S586 PolarHBondContact O-N 3.01Å; S586-S588 PolarHBondContact O-N 3.46Å
587Q37.2Very low56.2Low193 Ų193144 Ų14490%0.90278%0.784SS**  trans-59.1122.4-170.4-60.8158.95.400111.9I585I585-Q587 PolarHBondContact O-N 2.68Å
588S45.9Very low54.8Low117 Ų117146.3 Ų146.382%0.81880%0.798SS**  trans-94.494.2163.857.90000109.1S586 S590S586-S588 PolarHBondContact O-N 3.46Å; S588-S590 PolarHBondContact O-N 3.44Å
589I51.3Low53Low164 Ų164145.7 Ų145.784%0.84180%0.796SS**  trans-62.2126.1174.9-175.9170.1000110.5
590S41.9Very low51.1Low120 Ų120147.9 Ų147.984%0.83981%0.812SS**  trans-84.7110.4175.752.90000110.2S588S588-S590 PolarHBondContact O-N 3.44Å
591G48Very low49.2Very low64 Ų64151.5 Ų151.566%0.6684%0.835SS**  trans-153.5116.718000000113.4
592Q40.8Very low47.5Very low201 Ų201155.5 Ų155.594%0.93985%0.848SS**  trans46.1100160.6-62.9-178.3-1000118.5
593K39.8Very low45.7Very low279 Ų279158 Ų158100%1.21385%0.85SS**  -148.70103.8-158.5169-176.3179.20110.8

Retrieved 593 of 593 residues in 214.9 ms (Link to these results)

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