A0A087XSJ1_POEFO Loading...

CCR4-NOT transcription complex subunit 3

AlphaFold DB , UniProt , Accession A0A087XSJ1, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 935 aa.

						>A0A087XSJ1_POEFO|A0A087XSJ1
MSAVRLVGVNVSFSLCKPISLFDRRNVEIVVVRAMADKRKLQGEIDRCLKKVAEGVEQFEDIWQKLHNAANANQKEKYEADLKKEIKKLQRLRDQIKTWVASNEIKDKRQLVENRKLIETQMERFKVVERETKTKAYSKEGLGLAQKVDPAQREKEETGQWLTNTIDTLNMQVDQFESEVESLSVQTRKKKGDKEKQDRIDELKRLIERHRYHIRMLETILRMLDNDSVPVDAIQKIKDDVEYYIDSCQDPDFEENEFLYDDLDLEDIPPALVATSPSGNVEDDMYLHSSSTPTSTTSSSPIPPSPATCTAENSEDDKKRGRSTDSQVSQSPVKNGAPSLQSSFSSSATSGSSSSSSLSMASVVGGIPAVPTSSSLIGSFSSAVQQHQHQSAQQQQQSQPSNPSQQQQQQQQSQTKPSAPSNNNNPSPPSNPLLPASTAPSLSTPSTPSLTAPNSQSSAGPTPASSLGLGLGLDLRKGGMSGTSSANQMPSLGLAGHSTPLNTMAGLIQGSTSALYAHAAASGGLGLSSTTQSSILPESSTSISNSSSSGVTTNGAGSGLSLLGSSPAHNSLTGSILGLVPGQSVAPATSQVPPSPASSAPGSVSMMVGNGGSAGVVGVNAAPARPPSGLKQNGSPSYSAVVAESSTESALSTPSQSQSSQTSSLSSSTSQPMDNGPSLISSITLPPSSPSPSFSDSTPGGGSLLNGPHSYPQASEGLKAPEPLSSLKAMAERAALGSGLDGEISNMHVNDIFSGSSAAPGTPAAPQPSVSEVSIPPSLGVCPLGPTPLSKDQLYQQAMQEAAWTHMPHPSDSERIRQYLMRNPCPTLPYHHQVPPHHSDTIEFYQRLSTETLFFIFYYLEGTKAQYLSAKALKKQSWRFHTKYMMWFQRHEEPKTITDEFEQGTYIYFDYEKWGQRKKEGFTFEYRYLEDRDLQ
					

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(Predicted Aligned Error values between residue pairs)

Download Structure PDB PAE Table

Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	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
1	M	33	Very low	34	Very low	242 Å²	242	139.1 Å²	139.1	100%	1.192	80%	0.801	S	S	*	*				0	94.2	0	-65.3	163.6	168.8	0	0	108.6
2	S	36.6	Very low	33.9	Very low	112 Å²	112	137.9 Å²	137.9	78%	0.783	81%	0.807	S	S	*	*			cis	-148.7	115.5	-21.4	-70.4	0	0	0	0	105
3	A	33.6	Very low	34	Very low	93 Å²	93	142.7 Å²	142.7	77%	0.769	81%	0.813	S	S	*	*				64.5	121.3	81.4	0	0	0	0	0	111.5
4	V	35.3	Very low	34.6	Very low	130 Å²	130	139.4 Å²	139.4	79%	0.788	80%	0.803	S	S	*	*			cis	-146.5	130.8	9.5	-178.2	0	0	0	0	107
5	R	35	Very low	34.7	Very low	227 Å²	227	138.8 Å²	138.8	86%	0.857	80%	0.795	S	S	*	*				74.2	135.5	70.3	-124	-166.4	-172.6	-172	3.8	116.1
6	L	31.7	Very low	35.3	Very low	140 Å²	140	138.5 Å²	138.5	73%	0.733	80%	0.802	S	S	*	*			trans	85.5	120.3	166.6	-83.9	73.4	0	0	0	121.8
7	V	33.9	Very low	35.8	Very low	143 Å²	143	139.8 Å²	139.8	87%	0.867	80%	0.796	S	S	*	*				53.3	134.2	129.8	-175.6	0	0	0	0	119.8
8	G	31.5	Very low	36.5	Very low	57 Å²	57	138.8 Å²	138.8	59%	0.588	80%	0.796	S	S	*	*			cis	-166.9	159.2	2.2	0	0	0	0	0	111.5
9	V	35.2	Very low	37.1	Very low	143 Å²	143	138.6 Å²	138.6	87%	0.867	79%	0.79	S	S	*	*				59.9	119.8	94.1	178.2	0	0	0	0	112.4
10	N	34.1	Very low	37.8	Very low	141 Å²	141	134.9 Å²	134.9	75%	0.754	77%	0.773	S	S	*	*			cis	-168.5	-177.9	-8.1	-147.9	7.5	0	0	0	106.5
11	V	34.3	Very low	38.5	Very low	102 Å²	102	134.2 Å²	134.2	62%	0.618	77%	0.766	S	S	*	*			cis	-148.6	153.7	6.7	-158.4	0	0	0	0	108.9
12	S	33.2	Very low	39.4	Very low	125 Å²	125	129.5 Å²	129.5	87%	0.874	74%	0.739	S	S	*	*			trans	-161.3	101.9	148.6	-85.6	0	0	0	0	110.9
13	F	34.4	Very low	40.3	Very low	200 Å²	200	128.1 Å²	128.1	88%	0.877	72%	0.723	S	S	*	*			trans	-109.3	136.5	-179.5	-128.7	-90.3	0	0	0	111.6
14	S	43.1	Very low	41.4	Very low	96 Å²	96	132.7 Å²	132.7	67%	0.671	72%	0.721	S	S	*	*			trans	-54.3	141.8	175.3	175.9	0	0	0	0	113.1
15	L	35.7	Very low	42.4	Very low	131 Å²	131	132.8 Å²	132.8	69%	0.686	71%	0.707	S	S	*	*				-163.5	96.5	129.5	-130.7	70.9	0	0	0	113.1	K17	L15-K17 HydrophobicContact CD2-CD 3.84Å; L15-K17 HydrophobicContact CD2-CG 4.16Å; L15-K17 HydrophobicContact CG-CG 4.33Å; L15-K17 PolarHBondContact O-N 3.14Å
16	C	44.1	Very low	43.6	Very low	134 Å²	134	125.6 Å²	125.6	91%	0.905	69%	0.685	S	S	*	*			trans	-88.4	99.9	164.3	-143.1	0	0	0	0	108.7
17	K	43.9	Very low	45.4	Very low	161 Å²	161	123.1 Å²	123.1	70%	0.7	68%	0.676	S	S	*	*	P	Polyproline II helix	trans	-103.4	140.2	175.3	-88.9	-178.6	174.6	169.7	0	110.8	L15 I19	L15-K17 HydrophobicContact CD2-CD 3.84Å; L15-K17 HydrophobicContact CD2-CG 4.16Å; L15-K17 HydrophobicContact CG-CG 4.33Å; L15-K17 PolarHBondContact O-N 3.14Å; K17-I19 PolarHBondContact O-N 3.37Å
18	P	49	Very low	47	Very low	122 Å²	122	122.1 Å²	122.1	79%	0.792	66%	0.662	S	S	*	*	P	Polyproline II helix	trans	-69.9	131.2	178.8	28.6	-33.9	0	0	0	111.1	S20	P18-S20 PolarHBondContact O-N 2.97Å
19	I	47.6	Very low	48.9	Very low	135 Å²	135	124.5 Å²	124.5	69%	0.692	66%	0.66	S	S	*	*	P	Polyproline II helix	trans	-59.5	129.3	168.2	-64.4	172.3	0	0	0	108.1	K17 D23	K17-I19 PolarHBondContact O-N 3.37Å; I19-D23 HydrophobicContact CG2-CB 4.48Å
20	S	50.6	Low	50.7	Low	64 Å²	64	122.4 Å²	122.4	45%	0.448	65%	0.647	S	S	.	*	P	Polyproline II helix	trans	-65.4	143.5	-170.1	82.5	0	0	0	0	112.3	P18 F22 D23 R24	P18-S20 PolarHBondContact O-N 2.97Å; S20-F22 PolarHBondContact O-N 3.31Å; S20-F22 VanDerWaalsContact O-N 3.11Å; S20-F22 PolarHBondContact OG-N 3.03Å; S20-D23 PolarHBondContact O-N 3.32Å; S20-D23 VanDerWaalsContact O-N 3.13Å; S20-D23 PolarHBondContact OG-N 3.12Å; S20-R24 PolarHBondContact O-N 2.64Å
21	L	53.8	Low	52.6	Low	121 Å²	121	119 Å²	119	63%	0.634	63%	0.632	S	S	*	*	H	α-helix	trans	-62.9	-15.6	173.5	-130	167.2	0	0	0	112.2	R25	L21-R25 VanDerWaalsContact O-CG 3.3Å; L21-R25 WeakPolarHBondContact O-CG 3.42Å; L21-R25 PolarHBondContact O-N 3.35Å
22	F	51.7	Low	54.6	Low	142 Å²	142	118.5 Å²	118.5	62%	0.623	63%	0.628	S	S	*	*	H	α-helix	trans	-75.5	-40.3	175.5	-155.3	-95.9	0	0	0	111.9	S20 R25 N26	S20-F22 PolarHBondContact O-N 3.31Å; S20-F22 VanDerWaalsContact O-N 3.11Å; S20-F22 PolarHBondContact OG-N 3.03Å; F22-R25 PolarHBondContact O-N 2.94Å; F22-N26 PolarHBondContact O-N 3.27Å
23	D	54.8	Low	56.6	Low	84 Å²	84	120.9 Å²	120.9	45%	0.449	62%	0.618	S	S	.	*	H	α-helix	trans	-69.9	-43.5	-178.8	-165.3	26.4	0	0	0	111.5	I19 S20 R25 N26 V27	I19-D23 HydrophobicContact CG2-CB 4.48Å; S20-D23 PolarHBondContact O-N 3.32Å; S20-D23 VanDerWaalsContact O-N 3.13Å; S20-D23 PolarHBondContact OG-N 3.12Å; D23-R25 VanDerWaalsContact C-N 3.31Å; D23-R25 PolarHBondContact O-N 3.46Å; D23-N26 PolarHBondContact O-N 3.3Å; D23-N26 VanDerWaalsContact O-N 3.1Å; D23-V27 PolarHBondContact O-N 3.12Å
24	R	56.1	Low	58.5	Low	189 Å²	189	114.2 Å²	114.2	71%	0.713	60%	0.6	S	S	*	*	H	α-helix	trans	-55.1	-43.6	170.2	-85.8	-167.9	174	-166.4	-0.7	112.5	S20 V27 E28	S20-R24 PolarHBondContact O-N 2.64Å; R24-V27 PolarHBondContact O-N 3.05Å; R24-E28 VanDerWaalsContact O-CB 3.23Å; R24-E28 WeakPolarHBondContact O-CB 3.31Å; R24-E28 PolarHBondContact O-N 3.11Å
25	R	57.8	Low	60.1	Low	132 Å²	132	115.3 Å²	115.3	50%	0.498	60%	0.596	S	S	.	*	H	α-helix	trans	-64.3	-38.6	176.6	-72.8	173.9	-165.8	167.5	3.9	112.2	L21 F22 D23 E28 I29	L21-R25 VanDerWaalsContact O-CG 3.3Å; L21-R25 WeakPolarHBondContact O-CG 3.42Å; L21-R25 PolarHBondContact O-N 3.35Å; F22-R25 PolarHBondContact O-N 2.94Å; D23-R25 VanDerWaalsContact C-N 3.31Å; D23-R25 PolarHBondContact O-N 3.46Å; R25-E28 PolarHBondContact O-N 3.47Å; R25-I29 VanDerWaalsContact O-CB 3.32Å; R25-I29 WeakPolarHBondContact O-CB 3.36Å; R25-I29 WeakPolarHBondContact O-CD1 3.07Å; R25-I29 WeakPolarHBondContact O-CG1 3.26Å; R25-I29 PolarHBondContact O-N 3.49Å
26	N	60.1	Low	62.2	Low	75 Å²	75	111.5 Å²	111.5	40%	0.401	58%	0.583	S	S	.	*	H	α-helix	trans	-66.1	-44.3	177.3	-74.2	-23.2	0	0	0	111.6	F22 D23 E28 I29 V30	F22-N26 PolarHBondContact O-N 3.27Å; D23-N26 PolarHBondContact O-N 3.3Å; D23-N26 VanDerWaalsContact O-N 3.1Å; N26-E28 VanDerWaalsContact C-N 3.35Å; N26-I29 PolarHBondContact O-N 3.22Å; N26-V30 WeakPolarHBondContact O-CB 3.49Å; N26-V30 VanDerWaalsContact O-CG2 3.32Å; N26-V30 WeakPolarHBondContact O-CG2 3.26Å; N26-V30 PolarHBondContact O-N 3.07Å
27	V	67.9	Low	64	Low	88 Å²	88	109 Å²	109	53%	0.533	56%	0.561	S	S	.	*	H	α-helix	trans	-61.3	-44	173.4	175.4	0	0	0	0	110.9	D23 R24 V30 V31	D23-V27 PolarHBondContact O-N 3.12Å; R24-V27 PolarHBondContact O-N 3.05Å; V27-V30 PolarHBondContact O-N 2.95Å; V27-V31 HydrophobicContact CG1-CG2 4.38Å; V27-V31 WeakPolarHBondContact O-CB 3.39Å; V27-V31 VanDerWaalsContact O-CG2 3.3Å; V27-V31 WeakPolarHBondContact O-CG2 3.5Å; V27-V31 PolarHBondContact O-N 3.22Å
28	E	67.5	Low	65.8	Low	123 Å²	123	106.8 Å²	106.8	58%	0.575	55%	0.551	S	S	*	*	H	α-helix	trans	-62.1	-44.2	176.9	-173.8	171.2	-155.3	0	0	112.1	R24 R25 N26 V31 V32	R24-E28 VanDerWaalsContact O-CB 3.23Å; R24-E28 WeakPolarHBondContact O-CB 3.31Å; R24-E28 PolarHBondContact O-N 3.11Å; R25-E28 PolarHBondContact O-N 3.47Å; N26-E28 VanDerWaalsContact C-N 3.35Å; E28-V31 PolarHBondContact O-N 2.97Å; E28-V32 VanDerWaalsContact O-CB 3.31Å; E28-V32 WeakPolarHBondContact O-CB 3.4Å; E28-V32 VanDerWaalsContact O-CG2 3.23Å; E28-V32 WeakPolarHBondContact O-CG2 3.41Å; E28-V32 PolarHBondContact O-N 2.84Å
29	I	72.9	Confident	67.5	Low	107 Å²	107	110.5 Å²	110.5	55%	0.549	55%	0.549	S	S	.	.	H	α-helix	trans	-62.6	-42.4	175	-72.6	163.1	0	0	0	111.2	R25 N26 R33	R25-I29 VanDerWaalsContact O-CB 3.32Å; R25-I29 WeakPolarHBondContact O-CB 3.36Å; R25-I29 WeakPolarHBondContact O-CD1 3.07Å; R25-I29 WeakPolarHBondContact O-CG1 3.26Å; R25-I29 PolarHBondContact O-N 3.49Å; N26-I29 PolarHBondContact O-N 3.22Å; I29-R33 VanDerWaalsContact O-CB 3.22Å; I29-R33 WeakPolarHBondContact O-CB 3.44Å; I29-R33 PolarHBondContact O-N 2.91Å
30	V	72.4	Confident	69.3	Low	99 Å²	99	110 Å²	110	60%	0.6	54%	0.542	S	S	*	.	H	α-helix	trans	-65.7	-42.6	176.9	168.7	0	0	0	0	111.1	N26 V27 R33 A34	N26-V30 WeakPolarHBondContact O-CB 3.49Å; N26-V30 VanDerWaalsContact O-CG2 3.32Å; N26-V30 WeakPolarHBondContact O-CG2 3.26Å; N26-V30 PolarHBondContact O-N 3.07Å; V27-V30 PolarHBondContact O-N 2.95Å; V30-R33 PolarHBondContact O-N 3.37Å; V30-A34 WeakPolarHBondContact O-CB 3.19Å; V30-A34 PolarHBondContact O-N 3.35Å
31	V	73.8	Confident	71.1	Confident	70 Å²	70	108.2 Å²	108.2	42%	0.424	53%	0.528	S	S	.	.	H	α-helix	trans	-66.9	-45	176.9	170.1	0	0	0	0	111.4	V27 E28 R33 A34 M35	V27-V31 HydrophobicContact CG1-CG2 4.38Å; V27-V31 WeakPolarHBondContact O-CB 3.39Å; V27-V31 VanDerWaalsContact O-CG2 3.3Å; V27-V31 WeakPolarHBondContact O-CG2 3.5Å; V27-V31 PolarHBondContact O-N 3.22Å; E28-V31 PolarHBondContact O-N 2.97Å; V31-R33 VanDerWaalsContact C-N 3.31Å; V31-R33 PolarHBondContact O-N 3.35Å; V31-A34 PolarHBondContact O-N 3.38Å; V31-M35 HydrophobicContact CG1-CE 3.78Å; V31-M35 HydrophobicContact CG1-SD 4.34Å; V31-M35 WeakPolarHBondContact O-CB 3.47Å; V31-M35 VanDerWaalsContact O-CG 3.31Å; V31-M35 WeakPolarHBondContact O-CG 3.44Å; V31-M35 PolarHBondContact O-N 3.47Å
32	V	76.9	Confident	72.6	Confident	91 Å²	91	106.5 Å²	106.5	55%	0.552	52%	0.516	S	S	*	.	H	α-helix	trans	-61.4	-40.7	175.6	167.3	0	0	0	0	110.9	E28 M35 A36	E28-V32 VanDerWaalsContact O-CB 3.31Å; E28-V32 WeakPolarHBondContact O-CB 3.4Å; E28-V32 VanDerWaalsContact O-CG2 3.23Å; E28-V32 WeakPolarHBondContact O-CG2 3.41Å; E28-V32 PolarHBondContact O-N 2.84Å; V32-M35 PolarHBondContact O-N 3.2Å; V32-A36 WeakPolarHBondContact O-CB 3.28Å; V32-A36 PolarHBondContact O-N 2.99Å
33	R	74.8	Confident	74.4	Confident	175 Å²	175	100.6 Å²	100.6	66%	0.66	50%	0.495	S	S	*	.	H	α-helix	trans	-64.5	-49	174.9	-175.1	170.2	-174.6	128.9	2.2	111.8	I29 V30 V31 M35 A36 D37	I29-R33 VanDerWaalsContact O-CB 3.22Å; I29-R33 WeakPolarHBondContact O-CB 3.44Å; I29-R33 PolarHBondContact O-N 2.91Å; V30-R33 PolarHBondContact O-N 3.37Å; V31-R33 VanDerWaalsContact C-N 3.31Å; V31-R33 PolarHBondContact O-N 3.35Å; R33-M35 VanDerWaalsContact C-N 3.27Å; R33-M35 PolarHBondContact O-N 3.04Å; R33-A36 WeakPolarHBondContact O-CB 3.47Å; R33-A36 PolarHBondContact O-N 3.1Å; R33-D37 WeakPolarHBondContact CG-OD2 3.47Å; R33-D37 IonicContact NE-OD2 3.49Å; R33-D37 PolarHBondContact O-N 3.04Å
34	A	74.3	Confident	76.1	Confident	59 Å²	59	100 Å²	100	49%	0.488	49%	0.489	S	S	.	.	H	α-helix	trans	-60.4	-35.7	176.1	0	0	0	0	0	112.6	V30 V31 K38	V30-A34 WeakPolarHBondContact O-CB 3.19Å; V30-A34 PolarHBondContact O-N 3.35Å; V31-A34 PolarHBondContact O-N 3.38Å; A34-K38 VanDerWaalsContact O-CB 3.23Å; A34-K38 WeakPolarHBondContact O-CB 3.36Å; A34-K38 PolarHBondContact O-N 3.26Å
35	M	75.5	Confident	77.7	Confident	120 Å²	120	91.2 Å²	91.2	59%	0.591	46%	0.457	S	S	*	.	H	α-helix	trans	-68.4	-37	172.5	-73.7	-173.9	-178.2	0	0	112.8	V31 V32 R33 R39	V31-M35 HydrophobicContact CG1-CE 3.78Å; V31-M35 HydrophobicContact CG1-SD 4.34Å; V31-M35 WeakPolarHBondContact O-CB 3.47Å; V31-M35 VanDerWaalsContact O-CG 3.31Å; V31-M35 WeakPolarHBondContact O-CG 3.44Å; V31-M35 PolarHBondContact O-N 3.47Å; V32-M35 PolarHBondContact O-N 3.2Å; R33-M35 VanDerWaalsContact C-N 3.27Å; R33-M35 PolarHBondContact O-N 3.04Å; M35-R39 WeakPolarHBondContact O-CB 3.17Å; M35-R39 PolarHBondContact O-N 3.22Å
36	A	79.9	Confident	79.4	Confident	51 Å²	51	88.7 Å²	88.7	42%	0.421	45%	0.453	S	S	.	.	H	α-helix	trans	-68.9	-45.6	175.4	0	0	0	0	0	111.8	V32 R33 R39 K40	V32-A36 WeakPolarHBondContact O-CB 3.28Å; V32-A36 PolarHBondContact O-N 2.99Å; R33-A36 WeakPolarHBondContact O-CB 3.47Å; R33-A36 PolarHBondContact O-N 3.1Å; A36-R39 PolarHBondContact O-N 3.48Å; A36-K40 WeakPolarHBondContact O-CB 3.3Å; A36-K40 PolarHBondContact O-N 3.29Å
37	D	82.2	Confident	80.9	Confident	80 Å²	80	92.1 Å²	92.1	43%	0.428	46%	0.46	S	S	.	.	H	α-helix	trans	-64.5	-40.8	176.9	-71.5	-38.8	0	0	0	110.9	R33 R39 K40 L41	R33-D37 WeakPolarHBondContact CG-OD2 3.47Å; R33-D37 IonicContact NE-OD2 3.49Å; R33-D37 PolarHBondContact O-N 3.04Å; D37-R39 PolarHBondContact O-N 2.71Å; D37-K40 WeakPolarHBondContact O-CB 3.44Å; D37-K40 PolarHBondContact O-N 2.66Å; D37-L41 WeakPolarHBondContact O-CB 3.27Å; D37-L41 PolarHBondContact O-N 3.31Å
38	K	81.9	Confident	82	Confident	115 Å²	115	88.1 Å²	88.1	50%	0.5	44%	0.436	S	S	.	.	H	α-helix	trans	-61.9	-41.3	171.1	-170.2	-168.4	177.4	-155.9	0	112.6	A34 K40 L41 Q42	A34-K38 VanDerWaalsContact O-CB 3.23Å; A34-K38 WeakPolarHBondContact O-CB 3.36Å; A34-K38 PolarHBondContact O-N 3.26Å; K38-K40 VanDerWaalsContact C-N 3.33Å; K38-L41 PolarHBondContact O-N 3.33Å; K38-Q42 PolarHBondContact O-N 2.71Å
39	R	85.1	Confident	83.2	Confident	200 Å²	200	83.4 Å²	83.4	76%	0.755	42%	0.415	S	S	*	.	H	α-helix	trans	-65.2	-37.4	176.6	-173.2	-176.6	-64.1	171.4	0.5	111.4	M35 A36 D37 G43	M35-R39 WeakPolarHBondContact O-CB 3.17Å; M35-R39 PolarHBondContact O-N 3.22Å; A36-R39 PolarHBondContact O-N 3.48Å; D37-R39 PolarHBondContact O-N 2.71Å; R39-G43 PolarHBondContact O-N 3.29Å
40	K	86.1	Confident	84.3	Confident	125 Å²	125	84.6 Å²	84.6	54%	0.543	42%	0.416	S	S	.	.	H	α-helix	trans	-64.5	-47.9	173.9	-176.9	-171.1	170.9	-163.1	0	111.3	A36 D37 K38 Q42 G43 E44	A36-K40 WeakPolarHBondContact O-CB 3.3Å; A36-K40 PolarHBondContact O-N 3.29Å; D37-K40 WeakPolarHBondContact O-CB 3.44Å; D37-K40 PolarHBondContact O-N 2.66Å; K38-K40 VanDerWaalsContact C-N 3.33Å; K40-Q42 PolarHBondContact O-N 2.69Å; K40-G43 CarbonylContact O-C 3.57Å; K40-G43 PolarHBondContact O-N 3.2Å; K40-E44 WeakPolarHBondContact CE-OE1 3.13Å; K40-E44 PolarHBondContact O-N 2.97Å
41	L	86.9	Confident	85.3	Confident	27 Å²	27	85.8 Å²	85.8	14%	0.141	41%	0.413	C	S	.	.	H	α-helix	trans	-58.8	-44.1	176.1	178.9	62.6	0	0	0	111.7	D37 K38 G43 E44 I45 E104 I105	D37-L41 WeakPolarHBondContact O-CB 3.27Å; D37-L41 PolarHBondContact O-N 3.31Å; K38-L41 PolarHBondContact O-N 3.33Å; L41-G43 PolarHBondContact O-N 3.05Å; L41-E44 WeakPolarHBondContact O-CB 3.41Å; L41-E44 PolarHBondContact O-N 3.45Å; L41-E44 VanDerWaalsContact O-N 3.08Å; L41-I45 HydrophobicContact CG-CD1 4.16Å; L41-I45 WeakPolarHBondContact O-CG1 3.26Å; L41-I45 PolarHBondContact O-N 3.2Å; L41-E104 HydrophobicContact CD2-CB 4.16Å; L41-I105 HydrophobicContact CD2-CD1 4.44Å; L41-I105 HydrophobicContact CD2-CG1 4.07Å
42	Q	85.7	Confident	86.3	Confident	85 Å²	85	82.4 Å²	82.4	40%	0.397	39%	0.393	S	S	.	.	H	α-helix	trans	-59.2	-47	174.3	-169.7	63.8	55.3	0	0	111.3	K38 K40 E44 I45 D46	K38-Q42 PolarHBondContact O-N 2.71Å; K40-Q42 PolarHBondContact O-N 2.69Å; Q42-E44 PolarHBondContact O-N 2.87Å; Q42-I45 WeakPolarHBondContact O-CA 3.19Å; Q42-I45 WeakPolarHBondContact O-CB 3.24Å; Q42-I45 PolarHBondContact O-N 3.05Å; Q42-D46 PolarHBondContact NE2-OD1 3.12Å; Q42-D46 PolarHBondContact O-N 3.17Å
43	G	90	Very high	87.2	Confident	17 Å²	17	80.7 Å²	80.7	18%	0.175	39%	0.388	C	S	.	.	H	α-helix	trans	-63.2	-22.3	175.3	0	0	0	0	0	114.5	R39 K40 L41 R47	R39-G43 PolarHBondContact O-N 3.29Å; K40-G43 CarbonylContact O-C 3.57Å; K40-G43 PolarHBondContact O-N 3.2Å; L41-G43 PolarHBondContact O-N 3.05Å; G43-R47 WeakPolarHBondContact O-CB 3.32Å; G43-R47 VanDerWaalsContact O-CG 3.26Å; G43-R47 WeakPolarHBondContact O-CG 3.14Å; G43-R47 PolarHBondContact O-N 3.15Å; G43-R47 PolarHBondContact O-NE 2.92Å; G43-R47 PolarHBondContact O-NH1 3.47Å; G43-R47 PolarHBondContact O-NH2 3.39Å
44	E	90.4	Very high	88.1	Confident	71 Å²	71	75.7 Å²	75.7	33%	0.332	37%	0.372	S	S	.	.	H	α-helix	trans	-79.3	-37.8	170.9	-71.9	175.8	-157.9	0	0	112.1	K40 L41 Q42 C48 W99	K40-E44 WeakPolarHBondContact CE-OE1 3.13Å; K40-E44 PolarHBondContact O-N 2.97Å; L41-E44 WeakPolarHBondContact O-CB 3.41Å; L41-E44 PolarHBondContact O-N 3.45Å; L41-E44 VanDerWaalsContact O-N 3.08Å; Q42-E44 PolarHBondContact O-N 2.87Å; E44-C48 WeakPolarHBondContact O-CB 3.47Å; E44-C48 PolarHBondContact O-N 3.36Å; E44-W99 HydrophobicContact CB-CH2 4.47Å; E44-W99 HydrophobicContact CB-CZ2 4.32Å
45	I	90.6	Very high	89.1	Confident	5 Å²	5	73 Å²	73	3%	0.026	35%	0.35	C	S	.	.	H	α-helix	trans	-60.8	-52.1	171.1	-69.7	161.8	0	0	0	110.4	L41 Q42 R47 C48 L49 W99 I105 L111	L41-I45 HydrophobicContact CG-CD1 4.16Å; L41-I45 WeakPolarHBondContact O-CG1 3.26Å; L41-I45 PolarHBondContact O-N 3.2Å; Q42-I45 WeakPolarHBondContact O-CA 3.19Å; Q42-I45 WeakPolarHBondContact O-CB 3.24Å; Q42-I45 PolarHBondContact O-N 3.05Å; I45-R47 VanDerWaalsContact C-N 3.31Å; I45-R47 PolarHBondContact O-N 3.34Å; I45-C48 CarbonylContact O-C 3.53Å; I45-C48 WeakPolarHBondContact O-CA 3.08Å; I45-C48 VanDerWaalsContact O-CB 3.29Å; I45-C48 WeakPolarHBondContact O-CB 3.34Å; I45-C48 PolarHBondContact O-N 2.87Å; I45-L49 HydrophobicContact CG2-CD1 3.77Å; I45-L49 HydrophobicContact CG2-CG 4.21Å; I45-L49 WeakPolarHBondContact O-CG 3.25Å; I45-L49 PolarHBondContact O-N 2.86Å; I45-W99 HydrophobicContact CB-CZ3 4.35Å; I45-W99 HydrophobicContact CG1-CD2 4.06Å; I45-W99 HydrophobicContact CG1-CE3 3.85Å; I45-W99 HydrophobicContact CG1-CH2 4.15Å; I45-W99 HydrophobicContact CG1-CZ2 4.37Å; I45-W99 HydrophobicContact CG1-CZ3 3.89Å; I45-I105 HydrophobicContact CD1-CD1 3.55Å; I45-I105 HydrophobicContact CD1-CG1 3.85Å; I45-I105 HydrophobicContact CD1-CG2 4.49Å; I45-I105 HydrophobicContact CG1-CD1 4.47Å; I45-L111 HydrophobicContact CG2-CD2 3.96Å; I45-L111 HydrophobicContact CG2-CG 4.41Å
46	D	91.9	Very high	90	Very high	80 Å²	80	68.1 Å²	68.1	43%	0.428	33%	0.327	S	S	.	.	H	α-helix	trans	-62.5	-39.4	-176.3	-54.7	-23	0	0	0	111.2	Q42 C48 L49 K50	Q42-D46 PolarHBondContact NE2-OD1 3.12Å; Q42-D46 PolarHBondContact O-N 3.17Å; D46-C48 VanDerWaalsContact C-N 3.31Å; D46-C48 PolarHBondContact O-N 3.45Å; D46-L49 PolarHBondContact O-N 3.37Å; D46-K50 PolarHBondContact O-N 3.39Å
47	R	92.7	Very high	90.7	Very high	146 Å²	146	72.3 Å²	72.3	55%	0.551	34%	0.338	S	S	*	.	H	α-helix	trans	-66.2	-29.2	171.9	-77.6	-172.3	-63.1	-94.9	3.3	113.5	G43 I45 K51	G43-R47 WeakPolarHBondContact O-CB 3.32Å; G43-R47 VanDerWaalsContact O-CG 3.26Å; G43-R47 WeakPolarHBondContact O-CG 3.14Å; G43-R47 PolarHBondContact O-N 3.15Å; G43-R47 PolarHBondContact O-NE 2.92Å; G43-R47 PolarHBondContact O-NH1 3.47Å; G43-R47 PolarHBondContact O-NH2 3.39Å; I45-R47 VanDerWaalsContact C-N 3.31Å; I45-R47 PolarHBondContact O-N 3.34Å; R47-K51 WeakPolarHBondContact O-CG 3.2Å; R47-K51 PolarHBondContact O-N 3.49Å
48	C	91.1	Very high	91.2	Very high	4 Å²	4	72.5 Å²	72.5	3%	0.027	34%	0.337	C	S	.	.	H	α-helix	trans	-75.4	-46.8	175.4	-171.6	0	0	0	0	110.8	E44 I45 D46 K50 K51 V52 W99	E44-C48 WeakPolarHBondContact O-CB 3.47Å; E44-C48 PolarHBondContact O-N 3.36Å; I45-C48 CarbonylContact O-C 3.53Å; I45-C48 WeakPolarHBondContact O-CA 3.08Å; I45-C48 VanDerWaalsContact O-CB 3.29Å; I45-C48 WeakPolarHBondContact O-CB 3.34Å; I45-C48 PolarHBondContact O-N 2.87Å; D46-C48 VanDerWaalsContact C-N 3.31Å; D46-C48 PolarHBondContact O-N 3.45Å; C48-K50 VanDerWaalsContact C-N 3.31Å; C48-K50 PolarHBondContact O-N 3.4Å; C48-K51 CarbonylContact O-C 3.58Å; C48-K51 WeakPolarHBondContact O-CB 3.37Å; C48-K51 PolarHBondContact O-N 2.57Å; C48-V52 WeakPolarHBondContact O-CG2 2.75Å; C48-V52 PolarHBondContact O-N 3.08Å; C48-W99 HydrophobicContact CB-CH2 3.74Å; C48-W99 HydrophobicContact CB-CZ3 3.5Å
49	L	92.4	Very high	91.9	Very high	24 Å²	24	67 Å²	67	13%	0.126	31%	0.313	C	S	.	.	H	α-helix	trans	-57.9	-42.3	176.1	-65.1	171.6	0	0	0	111.5	I45 D46 K51 V52 A53 I96 Q110 L111 N114	I45-L49 HydrophobicContact CG2-CD1 3.77Å; I45-L49 HydrophobicContact CG2-CG 4.21Å; I45-L49 WeakPolarHBondContact O-CG 3.25Å; I45-L49 PolarHBondContact O-N 2.86Å; D46-L49 PolarHBondContact O-N 3.37Å; L49-K51 VanDerWaalsContact C-N 3.34Å; L49-K51 PolarHBondContact O-N 2.86Å; L49-V52 WeakPolarHBondContact O-CB 3.42Å; L49-V52 PolarHBondContact O-N 3.21Å; L49-V52 VanDerWaalsContact O-N 3.12Å; L49-A53 PolarHBondContact O-N 2.92Å; L49-I96 HydrophobicContact CD2-CD1 4.46Å; L49-Q110 HydrophobicContact CD1-CB 4.44Å; L49-Q110 HydrophobicContact CD1-CG 3.84Å; L49-Q110 HydrophobicContact CD2-CG 4.48Å; L49-L111 HydrophobicContact CD2-CD2 4.37Å; L49-N114 HydrophobicContact CD2-CB 3.64Å; L49-N114 VanDerWaalsContact CD2-CG 3.48Å
50	K	95	Very high	92.3	Very high	133 Å²	133	60.4 Å²	60.4	58%	0.578	29%	0.29	S	S	*	.	H	α-helix	trans	-60.3	-41.1	174.1	-165.2	175.2	-168.2	-73.3	0	112.7	D46 C48 V52 A53 E54	D46-K50 PolarHBondContact O-N 3.39Å; C48-K50 VanDerWaalsContact C-N 3.31Å; C48-K50 PolarHBondContact O-N 3.4Å; K50-V52 VanDerWaalsContact C-N 3.32Å; K50-V52 PolarHBondContact O-N 2.89Å; K50-A53 PolarHBondContact O-N 2.91Å; K50-E54 IonicContact NZ-OE1 2.57Å; K50-E54 PolarHBondContact NZ-OE1 2.79Å; K50-E54 VanDerWaalsContact O-CG 3.3Å; K50-E54 WeakPolarHBondContact O-CG 3.32Å; K50-E54 PolarHBondContact O-N 3.29Å
51	K	94.6	Very high	92.7	Very high	123 Å²	123	58.8 Å²	58.8	54%	0.535	29%	0.288	S	S	.	.	H	α-helix	trans	-68.5	-27.8	174.9	-72.6	174.7	179.3	-175.9	0	113.4	R47 C48 L49 G55 L92	R47-K51 WeakPolarHBondContact O-CG 3.2Å; R47-K51 PolarHBondContact O-N 3.49Å; C48-K51 CarbonylContact O-C 3.58Å; C48-K51 WeakPolarHBondContact O-CB 3.37Å; C48-K51 PolarHBondContact O-N 2.57Å; L49-K51 VanDerWaalsContact C-N 3.34Å; L49-K51 PolarHBondContact O-N 2.86Å; K51-G55 PolarHBondContact O-N 2.87Å; K51-L92 HydrophobicContact CB-CD1 3.95Å; K51-L92 HydrophobicContact CB-CD2 4.42Å
52	V	95.4	Very high	93	Very high	0 Å²	0	59 Å²	59	0%	0	29%	0.288	C	S	.	.	H	α-helix	trans	-68.5	-47.6	171.9	173.3	0	0	0	0	109.9	C48 L49 K50 G55 V56 L92 I96 N114 I118	C48-V52 WeakPolarHBondContact O-CG2 2.75Å; C48-V52 PolarHBondContact O-N 3.08Å; L49-V52 WeakPolarHBondContact O-CB 3.42Å; L49-V52 PolarHBondContact O-N 3.21Å; L49-V52 VanDerWaalsContact O-N 3.12Å; K50-V52 VanDerWaalsContact C-N 3.32Å; K50-V52 PolarHBondContact O-N 2.89Å; V52-G55 PolarHBondContact O-N 3.44Å; V52-V56 HydrophobicContact CG1-CG2 4.18Å; V52-V56 WeakPolarHBondContact O-CB 3.42Å; V52-V56 WeakPolarHBondContact O-CG2 3.41Å; V52-V56 PolarHBondContact O-N 3.38Å; V52-L92 HydrophobicContact CG2-CB 3.82Å; V52-L92 HydrophobicContact CG2-CD1 3.9Å; V52-L92 HydrophobicContact CG2-CG 4.44Å; V52-I96 HydrophobicContact CG2-CD1 3.81Å; V52-N114 HydrophobicContact CG1-CB 4.27Å; V52-I118 HydrophobicContact CB-CD1 4.44Å; V52-I118 HydrophobicContact CG1-CD1 3.75Å; V52-I118 HydrophobicContact CG1-CG1 3.71Å; V52-I118 HydrophobicContact CG2-CD1 3.77Å
53	A	94.4	Very high	93.3	Very high	54 Å²	54	57.6 Å²	57.6	45%	0.446	28%	0.28	S	S	.	.	H	α-helix	trans	-57.7	-52.6	175.2	0	0	0	0	0	111.8	L49 K50 G55 V56 E57	L49-A53 PolarHBondContact O-N 2.92Å; K50-A53 PolarHBondContact O-N 2.91Å; A53-G55 VanDerWaalsContact C-N 3.29Å; A53-G55 PolarHBondContact O-N 3.25Å; A53-V56 PolarHBondContact O-N 2.85Å; A53-E57 WeakPolarHBondContact O-CB 3.21Å; A53-E57 PolarHBondContact O-N 3.27Å
54	E	94.8	Very high	93.4	Very high	70 Å²	70	61.3 Å²	61.3	33%	0.327	29%	0.292	S	S	.	.	H	α-helix	trans	-58.3	-37.2	178.1	-71.2	166.1	-178.2	0	0	113	K50 Q58	K50-E54 IonicContact NZ-OE1 2.57Å; K50-E54 PolarHBondContact NZ-OE1 2.79Å; K50-E54 VanDerWaalsContact O-CG 3.3Å; K50-E54 WeakPolarHBondContact O-CG 3.32Å; K50-E54 PolarHBondContact O-N 3.29Å; E54-Q58 WeakPolarHBondContact O-CB 3.34Å; E54-Q58 WeakPolarHBondContact O-CG 3.46Å; E54-Q58 PolarHBondContact O-N 3.09Å; E54-Q58 VanDerWaalsContact O-N 3.07Å; E54-Q58 PolarHBondContact O-NE2 3.26Å
55	G	93.7	Very high	93.4	Very high	3 Å²	3	61.6 Å²	61.6	3%	0.031	29%	0.293	C	S	.	.	H	α-helix	trans	-78.3	-30.5	178.6	0	0	0	0	0	113.8	K51 V52 A53 F59 E85	K51-G55 PolarHBondContact O-N 2.87Å; V52-G55 PolarHBondContact O-N 3.44Å; A53-G55 VanDerWaalsContact C-N 3.29Å; A53-G55 PolarHBondContact O-N 3.25Å; G55-F59 WeakPolarHBondContact O-CB 3.21Å; G55-F59 PolarHBondContact O-N 3.17Å; G55-E85 WeakPolarHBondContact O-CG 3.46Å
56	V	94.6	Very high	93.3	Very high	17 Å²	17	61.8 Å²	61.8	10%	0.103	29%	0.294	C	S	.	.	H	α-helix	trans	-72.8	-39.8	174.2	167.6	0	0	0	0	110.4	V52 A53 F59 E60 L89 L117 Q121	V52-V56 HydrophobicContact CG1-CG2 4.18Å; V52-V56 WeakPolarHBondContact O-CB 3.42Å; V52-V56 WeakPolarHBondContact O-CG2 3.41Å; V52-V56 PolarHBondContact O-N 3.38Å; A53-V56 PolarHBondContact O-N 2.85Å; V56-F59 PolarHBondContact O-N 2.63Å; V56-E60 PolarHBondContact O-N 2.78Å; V56-L89 HydrophobicContact CG2-CD1 4.05Å; V56-L89 HydrophobicContact CG2-CD2 4.03Å; V56-L117 HydrophobicContact CG1-CD1 4.41Å; V56-L117 HydrophobicContact CG1-CD2 4.24Å; V56-L117 HydrophobicContact CG1-CG 4.27Å; V56-L117 HydrophobicContact CG2-CD2 4.18Å; V56-L117 HydrophobicContact CG2-CG 4.14Å; V56-Q121 HydrophobicContact CG1-CG 4.13Å; V56-Q121 HydrophobicContact CG2-CG 4.37Å
57	E	95.1	Very high	92.9	Very high	139 Å²	139	62.1 Å²	62.1	65%	0.65	29%	0.292	S	S	*	.	H	α-helix	trans	-59.6	-52.7	170.5	-174.9	178.2	-166.5	0	0	110.6	A53 F59 E60 D61	A53-E57 WeakPolarHBondContact O-CB 3.21Å; A53-E57 PolarHBondContact O-N 3.27Å; E57-F59 VanDerWaalsContact C-N 3.27Å; E57-F59 PolarHBondContact O-N 2.79Å; E57-E60 PolarHBondContact O-N 3.02Å; E57-D61 WeakPolarHBondContact O-CB 3.4Å; E57-D61 PolarHBondContact O-N 3.47Å
58	Q	93.6	Very high	92.6	Very high	85 Å²	85	60.8 Å²	60.8	40%	0.397	30%	0.296	S	S	.	.	H	α-helix	trans	-57.2	-36.5	174.6	-81.2	163.1	72.1	0	0	113.3	E54 I62 E85	E54-Q58 WeakPolarHBondContact O-CB 3.34Å; E54-Q58 WeakPolarHBondContact O-CG 3.46Å; E54-Q58 PolarHBondContact O-N 3.09Å; E54-Q58 VanDerWaalsContact O-N 3.07Å; E54-Q58 PolarHBondContact O-NE2 3.26Å; Q58-I62 WeakPolarHBondContact O-CD1 3.42Å; Q58-I62 WeakPolarHBondContact O-CG1 3.46Å; Q58-I62 PolarHBondContact O-N 3.08Å; Q58-I62 VanDerWaalsContact O-N 3.08Å; Q58-E85 HydrophobicContact CB-CG 4.23Å
59	F	95.2	Very high	92.3	Very high	0 Å²	0	61 Å²	61	0%	0	30%	0.298	C	S	.	.	H	α-helix	trans	-64.7	-51.8	176.1	175.1	-88.1	0	0	0	111.7	G55 V56 E57 D61 I62 W63 L82 E85 I86 L89 Q121 R124 F125	G55-F59 WeakPolarHBondContact O-CB 3.21Å; G55-F59 PolarHBondContact O-N 3.17Å; V56-F59 PolarHBondContact O-N 2.63Å; E57-F59 VanDerWaalsContact C-N 3.27Å; E57-F59 PolarHBondContact O-N 2.79Å; F59-D61 VanDerWaalsContact C-N 3.27Å; F59-D61 PolarHBondContact O-N 3Å; F59-I62 PolarHBondContact O-N 3.04Å; F59-W63 HydrophobicContact CE1-CB 4.35Å; F59-W63 VanDerWaalsContact O-CB 3.29Å; F59-W63 WeakPolarHBondContact O-CB 3.5Å; F59-W63 PolarHBondContact O-N 3.25Å; F59-L82 HydrophobicContact CD2-CD2 4.18Å; F59-L82 HydrophobicContact CD2-CG 3.96Å; F59-L82 HydrophobicContact CE2-CD1 4.26Å; F59-L82 HydrophobicContact CE2-CD2 3.37Å; F59-L82 HydrophobicContact CE2-CG 3.59Å; F59-L82 HydrophobicContact CZ-CD2 4.01Å; F59-L82 HydrophobicContact CZ-CG 4.29Å; F59-E85 HydrophobicContact CB-CG 4.22Å; F59-I86 HydrophobicContact CD2-CD1 3.58Å; F59-I86 HydrophobicContact CD2-CG1 3.72Å; F59-I86 HydrophobicContact CE2-CD1 3.38Å; F59-I86 HydrophobicContact CE2-CG1 3.43Å; F59-I86 VanDerWaalsContact CE2-CG1 3.43Å; F59-I86 HydrophobicContact CG-CD1 4.48Å; F59-I86 HydrophobicContact CZ-CD1 4.16Å; F59-L89 HydrophobicContact CB-CD1 4.25Å; F59-Q121 HydrophobicContact CD1-CB 3.99Å; F59-Q121 VanDerWaalsContact CD1-CD 3.46Å; F59-Q121 HydrophobicContact CD1-CG 4.04Å; F59-Q121 HydrophobicContact CE1-CB 4.06Å; F59-Q121 HydrophobicContact CE1-CG 4.36Å; F59-Q121 HydrophobicContact CG-CB 4.42Å; F59-R124 HydrophobicContact CE1-CB 4.37Å; F59-R124 HydrophobicContact CZ-CB 4.42Å; F59-F125 HydrophobicContact CE2-CB 4.06Å; F59-F125 HydrophobicContact CZ-CB 4.13Å
60	E	93.9	Very high	91.5	Very high	61 Å²	61	65 Å²	65	29%	0.285	33%	0.334	S	S	.	.	H	α-helix	trans	-61.2	-40.7	180	-157	80.1	170.4	0	0	110.6	V56 E57 I62 W63 Q64 Q121 R124	V56-E60 PolarHBondContact O-N 2.78Å; E57-E60 PolarHBondContact O-N 3.02Å; E60-I62 PolarHBondContact O-N 2.81Å; E60-W63 WeakPolarHBondContact O-CB 3.22Å; E60-W63 PolarHBondContact O-N 3.44Å; E60-Q64 PolarHBondContact O-N 3.02Å; E60-Q121 PolarHBondContact OE2-NE2 3.01Å; E60-Q121 PolarHBondContact OE2-OE1 3.49Å; E60-R124 IonicContact OE1-CZ 2.64Å; E60-R124 IonicContact OE1-NH1 3.08Å; E60-R124 PolarHBondContact OE1-NH1 2.86Å; E60-R124 IonicContact OE1-NH2 2.68Å; E60-R124 IonicContact OE2-NH1 2.59Å; E60-R124 PolarHBondContact OE2-NH1 3.31Å
61	D	94.6	Very high	90.9	Very high	91 Å²	91	62.3 Å²	62.3	49%	0.487	33%	0.326	S	S	.	.	H	α-helix	trans	-68	-31.5	-178.3	-163.8	46.9	0	0	0	112.5	E57 F59 K65	E57-D61 WeakPolarHBondContact O-CB 3.4Å; E57-D61 PolarHBondContact O-N 3.47Å; F59-D61 VanDerWaalsContact C-N 3.27Å; F59-D61 PolarHBondContact O-N 3Å; D61-K65 VanDerWaalsContact O-CD 3.32Å; D61-K65 WeakPolarHBondContact O-CD 3.4Å; D61-K65 WeakPolarHBondContact O-CG 3.43Å; D61-K65 PolarHBondContact O-NZ 3.18Å; D61-K65 IonicContact OD1-NZ 2.68Å; D61-K65 PolarHBondContact OD1-NZ 2.81Å; D61-K65 IonicContact OD2-NZ 3.79Å; D61-K65 PolarHBondContact OD2-NZ 2.9Å
62	I	92.9	Very high	90.2	Very high	30 Å²	30	59.4 Å²	59.4	15%	0.154	33%	0.326	C	S	.	.	H	α-helix	trans	-81.2	-35.5	170.3	-60.8	162.9	0	0	0	111.1	Q58 F59 E60 K65 L66 Y78 D81 L82	Q58-I62 WeakPolarHBondContact O-CD1 3.42Å; Q58-I62 WeakPolarHBondContact O-CG1 3.46Å; Q58-I62 PolarHBondContact O-N 3.08Å; Q58-I62 VanDerWaalsContact O-N 3.08Å; F59-I62 PolarHBondContact O-N 3.04Å; E60-I62 PolarHBondContact O-N 2.81Å; I62-K65 PolarHBondContact O-N 2.95Å; I62-L66 PolarHBondContact O-N 3Å; I62-Y78 HydrophobicContact CG2-CD1 4.26Å; I62-Y78 WeakPolarHBondContact CG2-O 3.34Å; I62-D81 HydrophobicContact CD1-CB 4.42Å; I62-D81 HydrophobicContact CG2-CB 4.41Å; I62-L82 HydrophobicContact CG2-CB 3.83Å; I62-L82 HydrophobicContact CG2-CD1 4.35Å
63	W	91.8	Very high	89.6	Confident	57 Å²	57	65.1 Å²	65.1	22%	0.216	36%	0.356	C	S	.	.	H	α-helix	trans	-61.9	-45.1	177.6	179.9	82.3	0	0	0	111.8	F59 E60 K65 L66 H67 L82	F59-W63 HydrophobicContact CE1-CB 4.35Å; F59-W63 VanDerWaalsContact O-CB 3.29Å; F59-W63 WeakPolarHBondContact O-CB 3.5Å; F59-W63 PolarHBondContact O-N 3.25Å; E60-W63 WeakPolarHBondContact O-CB 3.22Å; E60-W63 PolarHBondContact O-N 3.44Å; W63-K65 VanDerWaalsContact C-N 3.33Å; W63-K65 PolarHBondContact O-N 3.35Å; W63-L66 WeakPolarHBondContact O-CB 3.35Å; W63-L66 PolarHBondContact O-N 2.82Å; W63-H67 AromaticContact CE2-CD2 3.5Å; W63-H67 AromaticContact CE2-NE2 3.54Å; W63-H67 AromaticContact CZ2-CD2 3.64Å; W63-H67 AromaticContact CZ2-NE2 3.49Å; W63-H67 WeakPolarHBondContact CZ2-NE2 3.25Å; W63-H67 AromaticContact NE1-CD2 3.64Å; W63-H67 AromaticContact NE1-NE2 3.45Å; W63-H67 PolarHBondContact NE1-NE2 2.88Å; W63-H67 PolarHBondContact O-N 3.11Å; W63-H67 VanDerWaalsContact O-N 3.09Å; W63-L82 HydrophobicContact CB-CD1 3.77Å; W63-L82 HydrophobicContact CG-CD1 4.37Å
64	Q	91.8	Very high	89.1	Confident	95 Å²	95	67 Å²	67	44%	0.444	36%	0.355	S	S	.	.	H	α-helix	trans	-61.3	-42.6	173.8	-164.3	66.1	55.7	0	0	111.1	E60 L66 H67 N68	E60-Q64 PolarHBondContact O-N 3.02Å; Q64-L66 VanDerWaalsContact C-N 3.3Å; Q64-L66 PolarHBondContact O-N 3.3Å; Q64-H67 PolarHBondContact O-N 3.36Å; Q64-N68 PolarHBondContact NE2-OD1 2.93Å; Q64-N68 WeakPolarHBondContact O-CB 3.36Å; Q64-N68 PolarHBondContact O-N 2.84Å; Q64-N68 PolarHBondContact O-OD1 3.37Å
65	K	91.4	Very high	88.7	Confident	77 Å²	77	68 Å²	68	34%	0.335	36%	0.359	S	S	.	.	H	α-helix	trans	-63.9	-32.7	176.1	-70.1	172.2	-172.1	79.8	0	112.7	D61 I62 W63 A69 Y78	D61-K65 VanDerWaalsContact O-CD 3.32Å; D61-K65 WeakPolarHBondContact O-CD 3.4Å; D61-K65 WeakPolarHBondContact O-CG 3.43Å; D61-K65 PolarHBondContact O-NZ 3.18Å; D61-K65 IonicContact OD1-NZ 2.68Å; D61-K65 PolarHBondContact OD1-NZ 2.81Å; D61-K65 IonicContact OD2-NZ 3.79Å; D61-K65 PolarHBondContact OD2-NZ 2.9Å; I62-K65 PolarHBondContact O-N 2.95Å; W63-K65 VanDerWaalsContact C-N 3.33Å; W63-K65 PolarHBondContact O-N 3.35Å; K65-A69 WeakPolarHBondContact O-CB 3.41Å; K65-A69 PolarHBondContact O-N 3.2Å; K65-Y78 HydrophobicContact CB-CD1 4.3Å; K65-Y78 HydrophobicContact CB-CD2 4.21Å; K65-Y78 HydrophobicContact CB-CE1 4.15Å; K65-Y78 HydrophobicContact CB-CE2 4.06Å; K65-Y78 HydrophobicContact CB-CG 4.35Å; K65-Y78 HydrophobicContact CD-CE1 4.4Å
66	L	88.1	Confident	88.4	Confident	9 Å²	9	74.4 Å²	74.4	5%	0.047	39%	0.388	C	S	.	.	H	α-helix	trans	-67.9	-40.9	173.9	176.2	58.7	0	0	0	112.6	I62 W63 Q64 K75 L82 V128	I62-L66 PolarHBondContact O-N 3Å; W63-L66 WeakPolarHBondContact O-CB 3.35Å; W63-L66 PolarHBondContact O-N 2.82Å; Q64-L66 VanDerWaalsContact C-N 3.3Å; Q64-L66 PolarHBondContact O-N 3.3Å; L66-K75 HydrophobicContact CD1-CB 3.71Å; L66-K75 HydrophobicContact CD1-CD 4.38Å; L66-K75 HydrophobicContact CD1-CG 4Å; L66-K75 VanDerWaalsContact CD1-O 3.26Å; L66-K75 WeakPolarHBondContact CD1-O 3.21Å; L66-K75 WeakPolarHBondContact O-CE 3.44Å; L66-L82 HydrophobicContact CD2-CD1 4.09Å; L66-V128 HydrophobicContact CD2-CG1 3.45Å; L66-V128 VanDerWaalsContact CD2-CG1 3.45Å
67	H	83.1	Confident	88.3	Confident	87 Å²	87	79.5 Å²	79.5	40%	0.403	41%	0.409	S	S	.	.	H	α-helix	trans	-70.7	-44.2	175.5	-84.6	-94.7	0	0	0	112.1	W63 Q64 A69	W63-H67 AromaticContact CE2-CD2 3.5Å; W63-H67 AromaticContact CE2-NE2 3.54Å; W63-H67 AromaticContact CZ2-CD2 3.64Å; W63-H67 AromaticContact CZ2-NE2 3.49Å; W63-H67 WeakPolarHBondContact CZ2-NE2 3.25Å; W63-H67 AromaticContact NE1-CD2 3.64Å; W63-H67 AromaticContact NE1-NE2 3.45Å; W63-H67 PolarHBondContact NE1-NE2 2.88Å; W63-H67 PolarHBondContact O-N 3.11Å; W63-H67 VanDerWaalsContact O-N 3.09Å; Q64-H67 PolarHBondContact O-N 3.36Å; H67-A69 PolarHBondContact O-N 3.41Å
68	N	87.7	Confident	88.2	Confident	118 Å²	118	75.8 Å²	75.8	63%	0.631	39%	0.389	S	S	*	.	H	α-helix	trans	-74.4	-17.1	-179.7	-75.9	74.9	0	0	0	114.9	Q64 A70	Q64-N68 PolarHBondContact NE2-OD1 2.93Å; Q64-N68 WeakPolarHBondContact O-CB 3.36Å; Q64-N68 PolarHBondContact O-N 2.84Å; Q64-N68 PolarHBondContact O-OD1 3.37Å; N68-A70 PolarHBondContact O-N 2.88Å
69	A	85.2	Confident	88	Confident	8 Å²	8	73.1 Å²	73.1	7%	0.066	38%	0.377	C	S	.	.			trans	-72	114.4	179.8	0	0	0	0	0	112.1	K65 H67 N71 Q74 K75 Y78	K65-A69 WeakPolarHBondContact O-CB 3.41Å; K65-A69 PolarHBondContact O-N 3.2Å; H67-A69 PolarHBondContact O-N 3.41Å; A69-N71 VanDerWaalsContact C-N 3.33Å; A69-N71 PolarHBondContact O-N 3.23Å; A69-Q74 HydrophobicContact CB-CB 4.09Å; A69-K75 HydrophobicContact CB-CG 4.11Å; A69-K75 WeakPolarHBondContact O-CE 3.49Å; A69-Y78 HydrophobicContact CB-CD2 4.04Å; A69-Y78 HydrophobicContact CB-CE2 3.98Å
70	A	74.4	Confident	87.8	Confident	107 Å²	107	75.2 Å²	75.2	88%	0.884	39%	0.394	S	S	*	.			trans	-73.4	-21.9	174.8	0	0	0	0	0	113.8	N68	N68-A70 PolarHBondContact O-N 2.88Å
71	N	82.3	Confident	87.7	Confident	77 Å²	77	74.4 Å²	74.4	41%	0.412	39%	0.391	S	S	.	.	S	Bend	trans	-93.6	127.4	-172.9	-175.2	-41.2	0	0	0	112	A69 N73 Q74 K75	A69-N71 VanDerWaalsContact C-N 3.33Å; A69-N71 PolarHBondContact O-N 3.23Å; N71-N73 VanDerWaalsContact C-N 3.34Å; N71-N73 PolarHBondContact O-N 3.31Å; N71-N73 WeakPolarHBondContact OD1-CB 3.42Å; N71-N73 PolarHBondContact OD1-N 3.29Å; N71-Q74 HydrophobicContact CB-CB 4.24Å; N71-Q74 HydrophobicContact CB-CG 4.01Å; N71-Q74 WeakPolarHBondContact O-CB 3.48Å; N71-Q74 PolarHBondContact O-N 3.42Å; N71-K75 PolarHBondContact O-N 3.24Å
72	A	80.3	Confident	87.6	Confident	63 Å²	63	70 Å²	70	52%	0.521	37%	0.368	S	S	.	.	H	α-helix	trans	-55.3	-42.5	-179.5	0	0	0	0	0	113.8	Q74 K75 E76	A72-Q74 PolarHBondContact O-N 2.81Å; A72-K75 PolarHBondContact O-N 3.45Å; A72-K75 VanDerWaalsContact O-N 3.12Å; A72-E76 PolarHBondContact O-N 3.38Å
73	N	83.1	Confident	87.6	Confident	120 Å²	120	71.8 Å²	71.8	64%	0.642	38%	0.375	S	S	*	.	H	α-helix	trans	-68.2	-25.8	-179.9	-59.7	2.5	0	0	0	111.6	N71 K77	N71-N73 VanDerWaalsContact C-N 3.34Å; N71-N73 PolarHBondContact O-N 3.31Å; N71-N73 WeakPolarHBondContact OD1-CB 3.42Å; N71-N73 PolarHBondContact OD1-N 3.29Å; N73-K77 PolarHBondContact O-N 2.87Å
74	Q	84.8	Confident	87.8	Confident	92 Å²	92	74.6 Å²	74.6	43%	0.43	39%	0.389	S	S	.	.	H	α-helix	trans	-78.2	-38.4	172.2	-65.1	179.8	-5.5	0	0	111.1	A69 N71 A72 K77 Y78	A69-Q74 HydrophobicContact CB-CB 4.09Å; N71-Q74 HydrophobicContact CB-CB 4.24Å; N71-Q74 HydrophobicContact CB-CG 4.01Å; N71-Q74 WeakPolarHBondContact O-CB 3.48Å; N71-Q74 PolarHBondContact O-N 3.42Å; A72-Q74 PolarHBondContact O-N 2.81Å; Q74-K77 PolarHBondContact O-N 2.98Å; Q74-Y78 HydrophobicContact CB-CD2 4.4Å; Q74-Y78 HydrophobicContact CB-CE2 4.09Å; Q74-Y78 WeakPolarHBondContact O-CD2 3.44Å; Q74-Y78 PolarHBondContact O-N 3.12Å
75	K	86.1	Confident	87.8	Confident	91 Å²	91	70.6 Å²	70.6	40%	0.396	37%	0.37	S	S	.	.	H	α-helix	trans	-60	-48.5	173.5	-68.8	-157	176.9	-163.2	0	112.1	L66 A69 N71 A72 K77 Y78 E79	L66-K75 HydrophobicContact CD1-CB 3.71Å; L66-K75 HydrophobicContact CD1-CD 4.38Å; L66-K75 HydrophobicContact CD1-CG 4Å; L66-K75 VanDerWaalsContact CD1-O 3.26Å; L66-K75 WeakPolarHBondContact CD1-O 3.21Å; L66-K75 WeakPolarHBondContact O-CE 3.44Å; A69-K75 HydrophobicContact CB-CG 4.11Å; A69-K75 WeakPolarHBondContact O-CE 3.49Å; N71-K75 PolarHBondContact O-N 3.24Å; A72-K75 PolarHBondContact O-N 3.45Å; A72-K75 VanDerWaalsContact O-N 3.12Å; K75-K77 VanDerWaalsContact C-N 3.31Å; K75-K77 PolarHBondContact O-N 3.2Å; K75-Y78 PolarHBondContact O-N 3.19Å; K75-E79 PolarHBondContact O-N 3.01Å
76	E	87.4	Confident	88	Confident	138 Å²	138	67.3 Å²	67.3	65%	0.645	36%	0.356	S	S	*	.	H	α-helix	trans	-58.6	-42.8	177.1	-174.1	-179.7	-179.2	0	0	111.8	A72 E79 A80	A72-E76 PolarHBondContact O-N 3.38Å; E76-E79 PolarHBondContact O-N 2.87Å; E76-A80 WeakPolarHBondContact O-CB 3.36Å; E76-A80 PolarHBondContact O-N 3.19Å
77	K	92	Very high	88.3	Confident	125 Å²	125	72.9 Å²	72.9	54%	0.543	38%	0.38	S	S	.	.	H	α-helix	trans	-60.9	-49	174.5	-173.3	-167.5	171.2	-167.5	0	112	N73 Q74 K75 A80 D81	N73-K77 PolarHBondContact O-N 2.87Å; Q74-K77 PolarHBondContact O-N 2.98Å; K75-K77 VanDerWaalsContact C-N 3.31Å; K75-K77 PolarHBondContact O-N 3.2Å; K77-A80 PolarHBondContact O-N 2.64Å; K77-D81 PolarHBondContact O-N 3.29Å
78	Y	92.4	Very high	88.9	Confident	60 Å²	60	73 Å²	73	24%	0.235	38%	0.379	C	S	.	.	H	α-helix	trans	-67.4	-35.7	-179.4	-66.3	-48.9	0	0	0	112.1	I62 K65 A69 Q74 K75 D81 L82	I62-Y78 HydrophobicContact CG2-CD1 4.26Å; I62-Y78 WeakPolarHBondContact CG2-O 3.34Å; K65-Y78 HydrophobicContact CB-CD1 4.3Å; K65-Y78 HydrophobicContact CB-CD2 4.21Å; K65-Y78 HydrophobicContact CB-CE1 4.15Å; K65-Y78 HydrophobicContact CB-CE2 4.06Å; K65-Y78 HydrophobicContact CB-CG 4.35Å; K65-Y78 HydrophobicContact CD-CE1 4.4Å; A69-Y78 HydrophobicContact CB-CD2 4.04Å; A69-Y78 HydrophobicContact CB-CE2 3.98Å; Q74-Y78 HydrophobicContact CB-CD2 4.4Å; Q74-Y78 HydrophobicContact CB-CE2 4.09Å; Q74-Y78 WeakPolarHBondContact O-CD2 3.44Å; Q74-Y78 PolarHBondContact O-N 3.12Å; K75-Y78 PolarHBondContact O-N 3.19Å; Y78-D81 PolarHBondContact O-N 3.07Å; Y78-L82 WeakPolarHBondContact O-CB 3.3Å; Y78-L82 PolarHBondContact O-N 2.97Å
79	E	89.3	Confident	89.3	Confident	30 Å²	30	67.5 Å²	67.5	14%	0.14	35%	0.349	C	S	.	.	H	α-helix	trans	-59.4	-46.9	169.7	-168.3	-155.8	148	0	0	110.8	K75 E76 D81 L82 K83 T132	K75-E79 PolarHBondContact O-N 3.01Å; E76-E79 PolarHBondContact O-N 2.87Å; E79-D81 VanDerWaalsContact C-N 3.32Å; E79-D81 PolarHBondContact O-N 3.2Å; E79-L82 PolarHBondContact O-N 2.93Å; E79-K83 WeakPolarHBondContact O-CB 3.43Å; E79-K83 PolarHBondContact O-N 3.4Å; E79-K83 IonicContact OE1-NZ 2.66Å; E79-T132 VanDerWaalsContact OE2-CG2 3.26Å; E79-T132 WeakPolarHBondContact OE2-CG2 3.47Å
80	A	90.8	Very high	89.7	Confident	43 Å²	43	71 Å²	71	36%	0.355	36%	0.364	S	S	.	.	H	α-helix	trans	-63.1	-35.4	179.1	0	0	0	0	0	113	E76 K77 K84	E76-A80 WeakPolarHBondContact O-CB 3.36Å; E76-A80 PolarHBondContact O-N 3.19Å; K77-A80 PolarHBondContact O-N 2.64Å; A80-K84 VanDerWaalsContact O-CE 3.26Å; A80-K84 WeakPolarHBondContact O-CE 3.21Å; A80-K84 VanDerWaalsContact O-CG 3.31Å; A80-K84 WeakPolarHBondContact O-CG 3.49Å; A80-K84 PolarHBondContact O-N 2.59Å
81	D	92	Very high	90.7	Very high	44 Å²	44	74.9 Å²	74.9	24%	0.235	36%	0.356	C	S	.	.	H	α-helix	trans	-74.6	-42.9	175.5	-73.5	-29.7	0	0	0	112.2	I62 K77 Y78 E79 K83 K84 E85	I62-D81 HydrophobicContact CD1-CB 4.42Å; I62-D81 HydrophobicContact CG2-CB 4.41Å; K77-D81 PolarHBondContact O-N 3.29Å; Y78-D81 PolarHBondContact O-N 3.07Å; E79-D81 VanDerWaalsContact C-N 3.32Å; E79-D81 PolarHBondContact O-N 3.2Å; D81-K83 VanDerWaalsContact C-N 3.29Å; D81-K83 PolarHBondContact O-N 3.24Å; D81-K84 WeakPolarHBondContact O-CA 3.49Å; D81-K84 VanDerWaalsContact O-CB 3.3Å; D81-K84 WeakPolarHBondContact O-CB 3.29Å; D81-K84 PolarHBondContact O-N 3.02Å; D81-K84 IonicContact OD1-NZ 2.64Å; D81-K84 PolarHBondContact OD1-NZ 2.86Å; D81-E85 PolarHBondContact O-N 3.2Å
82	L	92.9	Very high	91.2	Very high	0 Å²	0	72.4 Å²	72.4	0%	0	34%	0.343	C	S	.	.	H	α-helix	trans	-61.8	-36.8	175.6	-170.4	154	0	0	0	111.9	F59 I62 W63 L66 Y78 E79 K84 E85 I86 F125	F59-L82 HydrophobicContact CD2-CD2 4.18Å; F59-L82 HydrophobicContact CD2-CG 3.96Å; F59-L82 HydrophobicContact CE2-CD1 4.26Å; F59-L82 HydrophobicContact CE2-CD2 3.37Å; F59-L82 HydrophobicContact CE2-CG 3.59Å; F59-L82 HydrophobicContact CZ-CD2 4.01Å; F59-L82 HydrophobicContact CZ-CG 4.29Å; I62-L82 HydrophobicContact CG2-CB 3.83Å; I62-L82 HydrophobicContact CG2-CD1 4.35Å; W63-L82 HydrophobicContact CB-CD1 3.77Å; W63-L82 HydrophobicContact CG-CD1 4.37Å; L66-L82 HydrophobicContact CD2-CD1 4.09Å; Y78-L82 WeakPolarHBondContact O-CB 3.3Å; Y78-L82 PolarHBondContact O-N 2.97Å; E79-L82 PolarHBondContact O-N 2.93Å; L82-K84 VanDerWaalsContact C-N 3.31Å; L82-K84 PolarHBondContact O-N 3.27Å; L82-E85 PolarHBondContact O-N 2.85Å; L82-I86 PolarHBondContact O-N 2.92Å; L82-F125 HydrophobicContact CD2-CB 4.29Å; L82-F125 HydrophobicContact CD2-CD2 3.14Å; L82-F125 HydrophobicContact CD2-CE2 3.7Å; L82-F125 HydrophobicContact CD2-CG 3.96Å
83	K	93.2	Very high	91.9	Very high	67 Å²	67	72 Å²	72	29%	0.291	33%	0.328	S	S	.	.	H	α-helix	trans	-69.1	-21.8	172.1	-169.9	164.2	-170.1	150.7	0	113.7	E79 D81 K87 F125 E129	E79-K83 WeakPolarHBondContact O-CB 3.43Å; E79-K83 PolarHBondContact O-N 3.4Å; E79-K83 IonicContact OE1-NZ 2.66Å; D81-K83 VanDerWaalsContact C-N 3.29Å; D81-K83 PolarHBondContact O-N 3.24Å; K83-K87 WeakPolarHBondContact O-CG 3.46Å; K83-F125 HydrophobicContact CB-CE2 4.2Å; K83-F125 HydrophobicContact CB-CZ 3.83Å; K83-F125 HydrophobicContact CD-CZ 3.94Å; K83-F125 HydrophobicContact CG-CE1 4.32Å; K83-F125 HydrophobicContact CG-CZ 3.69Å; K83-E129 WeakPolarHBondContact CE-OE1 3.17Å; K83-E129 IonicContact NZ-OE1 3.5Å; K83-E129 PolarHBondContact NZ-OE1 2.97Å
84	K	94.8	Very high	92.5	Very high	116 Å²	116	68.6 Å²	68.6	50%	0.504	31%	0.31	S	S	.	.	H	α-helix	trans	-77.6	-41	167.7	-64.3	159.6	-157.1	164.1	0	110.4	A80 D81 L82 K87 K88	A80-K84 VanDerWaalsContact O-CE 3.26Å; A80-K84 WeakPolarHBondContact O-CE 3.21Å; A80-K84 VanDerWaalsContact O-CG 3.31Å; A80-K84 WeakPolarHBondContact O-CG 3.49Å; A80-K84 PolarHBondContact O-N 2.59Å; D81-K84 WeakPolarHBondContact O-CA 3.49Å; D81-K84 VanDerWaalsContact O-CB 3.3Å; D81-K84 WeakPolarHBondContact O-CB 3.29Å; D81-K84 PolarHBondContact O-N 3.02Å; D81-K84 IonicContact OD1-NZ 2.64Å; D81-K84 PolarHBondContact OD1-NZ 2.86Å; L82-K84 VanDerWaalsContact C-N 3.31Å; L82-K84 PolarHBondContact O-N 3.27Å; K84-K87 WeakPolarHBondContact O-CB 3.39Å; K84-K87 PolarHBondContact O-N 3.32Å; K84-K88 PolarHBondContact O-N 2.92Å; K84-K88 VanDerWaalsContact O-N 3.15Å
85	E	93.9	Very high	92.9	Very high	11 Å²	11	68.2 Å²	68.2	5%	0.051	31%	0.308	C	S	.	.	H	α-helix	trans	-65.4	-45	-178.1	-154.2	57.6	-125.7	0	0	112.5	G55 Q58 F59 D81 L82 K87 K88 L89	G55-E85 WeakPolarHBondContact O-CG 3.46Å; Q58-E85 HydrophobicContact CB-CG 4.23Å; F59-E85 HydrophobicContact CB-CG 4.22Å; D81-E85 PolarHBondContact O-N 3.2Å; L82-E85 PolarHBondContact O-N 2.85Å; E85-K87 PolarHBondContact O-N 3.45Å; E85-K88 WeakPolarHBondContact O-CA 3.36Å; E85-K88 WeakPolarHBondContact O-CB 3.36Å; E85-K88 PolarHBondContact O-N 3.44Å; E85-K88 VanDerWaalsContact OE1-CD 3.27Å; E85-K88 WeakPolarHBondContact OE1-CD 3.25Å; E85-K88 VanDerWaalsContact OE1-CE 3.25Å; E85-K88 WeakPolarHBondContact OE1-CE 3.2Å; E85-K88 IonicContact OE1-NZ 2.69Å; E85-K88 PolarHBondContact OE1-NZ 3.48Å; E85-K88 WeakPolarHBondContact OE2-CE 3.39Å; E85-K88 IonicContact OE2-NZ 3.95Å; E85-K88 PolarHBondContact OE2-NZ 3.17Å; E85-L89 PolarHBondContact O-N 3.44Å
86	I	94.6	Very high	93.2	Very high	7 Å²	7	63.9 Å²	63.9	4%	0.036	29%	0.289	C	S	.	.	H	α-helix	trans	-56.4	-37.9	172.6	-72.7	-63.2	0	0	0	112	F59 L82 K88 L89 Q90 Q121 M122 F125	F59-I86 HydrophobicContact CD2-CD1 3.58Å; F59-I86 HydrophobicContact CD2-CG1 3.72Å; F59-I86 HydrophobicContact CE2-CD1 3.38Å; F59-I86 HydrophobicContact CE2-CG1 3.43Å; F59-I86 VanDerWaalsContact CE2-CG1 3.43Å; F59-I86 HydrophobicContact CG-CD1 4.48Å; F59-I86 HydrophobicContact CZ-CD1 4.16Å; L82-I86 PolarHBondContact O-N 2.92Å; I86-K88 VanDerWaalsContact C-N 3.29Å; I86-K88 PolarHBondContact O-N 2.85Å; I86-L89 HydrophobicContact CD1-CD1 4.48Å; I86-L89 PolarHBondContact O-N 3.09Å; I86-Q90 VanDerWaalsContact O-CB 3.25Å; I86-Q90 WeakPolarHBondContact O-CB 3.35Å; I86-Q90 PolarHBondContact O-N 2.97Å; I86-Q121 HydrophobicContact CD1-CB 4.38Å; I86-M122 HydrophobicContact CD1-CG 4.25Å; I86-M122 HydrophobicContact CG2-CG 4.2Å; I86-F125 HydrophobicContact CB-CD1 4.17Å; I86-F125 HydrophobicContact CD1-CB 4.04Å; I86-F125 HydrophobicContact CG1-CB 3.75Å; I86-F125 HydrophobicContact CG1-CD1 3.91Å; I86-F125 HydrophobicContact CG1-CG 3.82Å; I86-F125 HydrophobicContact CG2-CD1 3.89Å; I86-F125 HydrophobicContact CG2-CE1 4.41Å
87	K	95.2	Very high	93.6	Very high	127 Å²	127	61.6 Å²	61.6	55%	0.552	28%	0.277	S	S	*	.	H	α-helix	trans	-69.1	-23	174.8	-74.8	-179.9	177.2	-177.8	0	113.4	K83 K84 E85 R91	K83-K87 WeakPolarHBondContact O-CG 3.46Å; K84-K87 WeakPolarHBondContact O-CB 3.39Å; K84-K87 PolarHBondContact O-N 3.32Å; E85-K87 PolarHBondContact O-N 3.45Å; K87-R91 WeakPolarHBondContact O-CD 3.49Å; K87-R91 WeakPolarHBondContact O-CG 3.46Å
88	K	94.8	Very high	93.6	Very high	90 Å²	90	59.7 Å²	59.7	39%	0.391	28%	0.276	S	S	.	.	H	α-helix	trans	-75.1	-52.4	168.2	-57.5	-167.7	-137	145.8	0	110.4	K84 E85 I86 Q90 R91 L92	K84-K88 PolarHBondContact O-N 2.92Å; K84-K88 VanDerWaalsContact O-N 3.15Å; E85-K88 WeakPolarHBondContact O-CA 3.36Å; E85-K88 WeakPolarHBondContact O-CB 3.36Å; E85-K88 PolarHBondContact O-N 3.44Å; E85-K88 VanDerWaalsContact OE1-CD 3.27Å; E85-K88 WeakPolarHBondContact OE1-CD 3.25Å; E85-K88 VanDerWaalsContact OE1-CE 3.25Å; E85-K88 WeakPolarHBondContact OE1-CE 3.2Å; E85-K88 IonicContact OE1-NZ 2.69Å; E85-K88 PolarHBondContact OE1-NZ 3.48Å; E85-K88 WeakPolarHBondContact OE2-CE 3.39Å; E85-K88 IonicContact OE2-NZ 3.95Å; E85-K88 PolarHBondContact OE2-NZ 3.17Å; I86-K88 VanDerWaalsContact C-N 3.29Å; I86-K88 PolarHBondContact O-N 2.85Å; K88-Q90 VanDerWaalsContact C-N 3.33Å; K88-Q90 PolarHBondContact O-N 3.38Å; K88-R91 WeakPolarHBondContact O-CB 3.13Å; K88-R91 PolarHBondContact O-N 3.37Å; K88-R91 VanDerWaalsContact O-N 3.11Å; K88-L92 PolarHBondContact O-N 3.17Å
89	L	95.1	Very high	93.6	Very high	1 Å²	1	58.1 Å²	58.1	1%	0.005	27%	0.27	C	S	.	.	H	α-helix	trans	-58.2	-42.7	-179.1	-69.8	178.5	0	0	0	112.1	V56 F59 E85 I86 R91 L92 R93 I118	V56-L89 HydrophobicContact CG2-CD1 4.05Å; V56-L89 HydrophobicContact CG2-CD2 4.03Å; F59-L89 HydrophobicContact CB-CD1 4.25Å; E85-L89 PolarHBondContact O-N 3.44Å; I86-L89 HydrophobicContact CD1-CD1 4.48Å; I86-L89 PolarHBondContact O-N 3.09Å; L89-R91 VanDerWaalsContact C-N 3.29Å; L89-R91 PolarHBondContact O-N 2.86Å; L89-L92 HydrophobicContact CD2-CD1 4.45Å; L89-L92 PolarHBondContact O-N 2.88Å; L89-L92 VanDerWaalsContact O-N 3.11Å; L89-R93 WeakPolarHBondContact O-CB 3.38Å; L89-R93 PolarHBondContact O-N 2.83Å; L89-I118 HydrophobicContact CB-CG1 4.43Å; L89-I118 HydrophobicContact CB-CG2 3.8Å; L89-I118 HydrophobicContact CD2-CG1 4.39Å
90	Q	94.5	Very high	93.6	Very high	81 Å²	81	58.4 Å²	58.4	38%	0.379	27%	0.273	S	S	.	.	H	α-helix	trans	-60.6	-34.9	177.7	-171.6	174.2	4.1	0	0	112.9	I86 K88 R93 D94 M122	I86-Q90 VanDerWaalsContact O-CB 3.25Å; I86-Q90 WeakPolarHBondContact O-CB 3.35Å; I86-Q90 PolarHBondContact O-N 2.97Å; K88-Q90 VanDerWaalsContact C-N 3.33Å; K88-Q90 PolarHBondContact O-N 3.38Å; Q90-R93 PolarHBondContact O-N 3.32Å; Q90-D94 PolarHBondContact O-N 2.91Å; Q90-D94 VanDerWaalsContact O-N 3.07Å; Q90-M122 HydrophobicContact CB-CE 4.27Å; Q90-M122 HydrophobicContact CB-SD 4.16Å; Q90-M122 HydrophobicContact CG-CE 3.82Å; Q90-M122 HydrophobicContact CG-SD 4.1Å
91	R	94.8	Very high	93.5	Very high	190 Å²	190	60.2 Å²	60.2	72%	0.717	29%	0.288	S	S	*	.	H	α-helix	trans	-67.8	-43.1	173.7	-68.2	168	178.2	171.5	-1.4	111.6	K87 K88 L89 R93 D94 Q95	K87-R91 WeakPolarHBondContact O-CD 3.49Å; K87-R91 WeakPolarHBondContact O-CG 3.46Å; K88-R91 WeakPolarHBondContact O-CB 3.13Å; K88-R91 PolarHBondContact O-N 3.37Å; K88-R91 VanDerWaalsContact O-N 3.11Å; L89-R91 VanDerWaalsContact C-N 3.29Å; L89-R91 PolarHBondContact O-N 2.86Å; R91-R93 VanDerWaalsContact C-N 3.34Å; R91-D94 PolarHBondContact O-N 3.16Å; R91-Q95 PolarHBondContact O-N 3.49Å
92	L	93.6	Very high	93.2	Very high	25 Å²	25	59.9 Å²	59.9	13%	0.131	29%	0.29	C	S	.	.	H	α-helix	trans	-63.5	-40.8	175.6	-62	172.1	0	0	0	111.1	K51 V52 K88 L89 D94 Q95 I96 I118	K51-L92 HydrophobicContact CB-CD1 3.95Å; K51-L92 HydrophobicContact CB-CD2 4.42Å; V52-L92 HydrophobicContact CG2-CB 3.82Å; V52-L92 HydrophobicContact CG2-CD1 3.9Å; V52-L92 HydrophobicContact CG2-CG 4.44Å; K88-L92 PolarHBondContact O-N 3.17Å; L89-L92 HydrophobicContact CD2-CD1 4.45Å; L89-L92 PolarHBondContact O-N 2.88Å; L89-L92 VanDerWaalsContact O-N 3.11Å; L92-D94 VanDerWaalsContact C-N 3.34Å; L92-D94 PolarHBondContact O-N 2.99Å; L92-Q95 PolarHBondContact O-N 2.79Å; L92-I96 WeakPolarHBondContact O-CB 3.36Å; L92-I96 VanDerWaalsContact O-CG1 3.28Å; L92-I96 WeakPolarHBondContact O-CG1 3.41Å; L92-I96 PolarHBondContact O-N 3.43Å; L92-I118 HydrophobicContact CB-CD1 4.46Å
93	R	95.1	Very high	92.9	Very high	53 Å²	53	67.1 Å²	67.1	20%	0.2	33%	0.328	C	S	.	.	H	α-helix	trans	-56.6	-44.4	172.9	-180	-79.8	-171.1	163.2	7.7	111.8	L89 Q90 R91 I96 K97 R115 I118 E119	L89-R93 WeakPolarHBondContact O-CB 3.38Å; L89-R93 PolarHBondContact O-N 2.83Å; Q90-R93 PolarHBondContact O-N 3.32Å; R91-R93 VanDerWaalsContact C-N 3.34Å; R93-I96 PolarHBondContact O-N 3.26Å; R93-K97 WeakPolarHBondContact O-CB 3.31Å; R93-K97 PolarHBondContact O-N 2.83Å; R93-R115 HydrophobicContact CG-CG 4.06Å; R93-I118 HydrophobicContact CB-CB 4.2Å; R93-I118 HydrophobicContact CB-CD1 3.75Å; R93-I118 HydrophobicContact CB-CG2 3.76Å; R93-I118 HydrophobicContact CG-CB 4.46Å; R93-I118 HydrophobicContact CG-CG2 4.21Å; R93-E119 HydrophobicContact CG-CG 4.45Å; R93-E119 IonicContact CZ-OE1 2.64Å; R93-E119 IonicContact NE-OE1 3.97Å; R93-E119 PolarHBondContact NE-OE1 2.96Å; R93-E119 IonicContact NH2-OE1 3.43Å; R93-E119 PolarHBondContact NH2-OE1 3.46Å
94	D	95.3	Very high	92.3	Very high	49 Å²	49	70.7 Å²	70.7	26%	0.262	35%	0.346	S	S	.	.	H	α-helix	trans	-77.2	-27.8	-179.5	-78.2	-32.7	0	0	0	113.7	Q90 R91 L92 K97 T98	Q90-D94 PolarHBondContact O-N 2.91Å; Q90-D94 VanDerWaalsContact O-N 3.07Å; R91-D94 PolarHBondContact O-N 3.16Å; L92-D94 VanDerWaalsContact C-N 3.34Å; L92-D94 PolarHBondContact O-N 2.99Å; D94-K97 VanDerWaalsContact OD1-CE 3.32Å; D94-K97 WeakPolarHBondContact OD1-CE 3.37Å; D94-K97 IonicContact OD1-NZ 3.31Å; D94-K97 PolarHBondContact OD1-NZ 2.91Å; D94-K97 IonicContact OD2-NZ 3.86Å; D94-T98 PolarHBondContact O-N 3Å; D94-T98 VanDerWaalsContact O-N 3.12Å; D94-T98 PolarHBondContact O-OG1 2.63Å
95	Q	92.4	Very high	91.7	Very high	85 Å²	85	65.9 Å²	65.9	40%	0.397	33%	0.325	S	S	.	.	H	α-helix	trans	-63.6	-48.4	165.5	-177.9	172.7	-1.5	0	0	110.9	R91 L92 K97 T98 W99	R91-Q95 PolarHBondContact O-N 3.49Å; L92-Q95 PolarHBondContact O-N 2.79Å; Q95-K97 VanDerWaalsContact C-N 3.35Å; Q95-K97 PolarHBondContact O-N 2.92Å; Q95-T98 WeakPolarHBondContact O-CB 3.32Å; Q95-T98 PolarHBondContact O-N 3.29Å; Q95-W99 HydrophobicContact CG-CD2 4.38Å; Q95-W99 HydrophobicContact CG-CE3 4.26Å; Q95-W99 HydrophobicContact CG-CH2 4Å; Q95-W99 HydrophobicContact CG-CZ2 4.1Å; Q95-W99 HydrophobicContact CG-CZ3 4.07Å; Q95-W99 VanDerWaalsContact NE2-CZ2 3.28Å; Q95-W99 PolarHBondContact O-N 3.49Å; Q95-W99 VanDerWaalsContact O-N 3.14Å
96	I	93.6	Very high	90.9	Very high	0 Å²	0	74.5 Å²	74.5	0%	0	36%	0.363	C	S	.	.	H	α-helix	trans	-60.3	-41.7	175.3	-73.6	169.9	0	0	0	111.5	L49 V52 L92 R93 T98 W99 V100 L111 N114 R115 I118	L49-I96 HydrophobicContact CD2-CD1 4.46Å; V52-I96 HydrophobicContact CG2-CD1 3.81Å; L92-I96 WeakPolarHBondContact O-CB 3.36Å; L92-I96 VanDerWaalsContact O-CG1 3.28Å; L92-I96 WeakPolarHBondContact O-CG1 3.41Å; L92-I96 PolarHBondContact O-N 3.43Å; R93-I96 PolarHBondContact O-N 3.26Å; I96-T98 VanDerWaalsContact C-N 3.31Å; I96-T98 PolarHBondContact O-N 3.28Å; I96-W99 HydrophobicContact CG1-CE3 4.34Å; I96-W99 PolarHBondContact O-N 2.97Å; I96-V100 HydrophobicContact CG2-CG2 4.32Å; I96-V100 WeakPolarHBondContact O-CG2 3.48Å; I96-V100 PolarHBondContact O-N 2.81Å; I96-L111 HydrophobicContact CB-CD2 4.39Å; I96-L111 HydrophobicContact CG1-CD2 3.99Å; I96-L111 HydrophobicContact CG2-CB 4.06Å; I96-L111 HydrophobicContact CG2-CD2 3.96Å; I96-L111 VanDerWaalsContact CG2-O 3.22Å; I96-L111 WeakPolarHBondContact CG2-O 3.46Å; I96-N114 HydrophobicContact CD1-CB 4.33Å; I96-R115 HydrophobicContact CG2-CB 3.88Å; I96-R115 HydrophobicContact CG2-CG 4.48Å; I96-I118 HydrophobicContact CD1-CD1 4.49Å
97	K	94.9	Very high	90.1	Very high	89 Å²	89	79.4 Å²	79.4	39%	0.387	39%	0.389	S	S	.	.	H	α-helix	trans	-57.6	-42.8	174.8	-177.8	-170.1	73.1	-164.4	0	111.8	R93 D94 Q95 V100 A101	R93-K97 WeakPolarHBondContact O-CB 3.31Å; R93-K97 PolarHBondContact O-N 2.83Å; D94-K97 VanDerWaalsContact OD1-CE 3.32Å; D94-K97 WeakPolarHBondContact OD1-CE 3.37Å; D94-K97 IonicContact OD1-NZ 3.31Å; D94-K97 PolarHBondContact OD1-NZ 2.91Å; D94-K97 IonicContact OD2-NZ 3.86Å; Q95-K97 VanDerWaalsContact C-N 3.35Å; Q95-K97 PolarHBondContact O-N 2.92Å; K97-V100 PolarHBondContact O-N 3.4Å; K97-A101 PolarHBondContact O-N 2.57Å; K97-A101 VanDerWaalsContact O-N 3.08Å
98	T	93.2	Very high	89.8	Confident	86 Å²	86	76.1 Å²	76.1	53%	0.528	38%	0.375	S	S	.	.	H	α-helix	trans	-61.3	-47	176.4	-54.5	0	0	0	0	110.9	D94 Q95 I96 V100 A101 S102	D94-T98 PolarHBondContact O-N 3Å; D94-T98 VanDerWaalsContact O-N 3.12Å; D94-T98 PolarHBondContact O-OG1 2.63Å; Q95-T98 WeakPolarHBondContact O-CB 3.32Å; Q95-T98 PolarHBondContact O-N 3.29Å; I96-T98 VanDerWaalsContact C-N 3.31Å; I96-T98 PolarHBondContact O-N 3.28Å; T98-V100 PolarHBondContact O-N 2.96Å; T98-A101 WeakPolarHBondContact O-CB 3.32Å; T98-A101 PolarHBondContact O-N 3.25Å; T98-A101 VanDerWaalsContact O-N 3.15Å; T98-S102 PolarHBondContact O-N 2.94Å; T98-S102 PolarHBondContact O-OG 2.89Å; T98-S102 VanDerWaalsContact O-OG 3.05Å
99	W	91.6	Very high	89.6	Confident	27 Å²	27	80.9 Å²	80.9	10%	0.102	39%	0.39	C	S	.	.	H	α-helix	trans	-64.9	-36.4	175.9	-72.1	-29.2	0	0	0	114.1	E44 I45 C48 Q95 I96 A101 S102 I105 L111	E44-W99 HydrophobicContact CB-CH2 4.47Å; E44-W99 HydrophobicContact CB-CZ2 4.32Å; I45-W99 HydrophobicContact CB-CZ3 4.35Å; I45-W99 HydrophobicContact CG1-CD2 4.06Å; I45-W99 HydrophobicContact CG1-CE3 3.85Å; I45-W99 HydrophobicContact CG1-CH2 4.15Å; I45-W99 HydrophobicContact CG1-CZ2 4.37Å; I45-W99 HydrophobicContact CG1-CZ3 3.89Å; C48-W99 HydrophobicContact CB-CH2 3.74Å; C48-W99 HydrophobicContact CB-CZ3 3.5Å; Q95-W99 HydrophobicContact CG-CD2 4.38Å; Q95-W99 HydrophobicContact CG-CE3 4.26Å; Q95-W99 HydrophobicContact CG-CH2 4Å; Q95-W99 HydrophobicContact CG-CZ2 4.1Å; Q95-W99 HydrophobicContact CG-CZ3 4.07Å; Q95-W99 VanDerWaalsContact NE2-CZ2 3.28Å; Q95-W99 PolarHBondContact O-N 3.49Å; Q95-W99 VanDerWaalsContact O-N 3.14Å; I96-W99 HydrophobicContact CG1-CE3 4.34Å; I96-W99 PolarHBondContact O-N 2.97Å; W99-A101 PolarHBondContact O-N 2.87Å; W99-S102 WeakPolarHBondContact O-CB 3.42Å; W99-S102 PolarHBondContact O-N 3.43Å; W99-I105 HydrophobicContact CB-CD1 3.57Å; W99-I105 HydrophobicContact CG-CD1 3.95Å; W99-L111 HydrophobicContact CB-CD1 4.3Å; W99-L111 HydrophobicContact CE3-CD2 4.04Å
100	V	88.9	Confident	89.2	Confident	35 Å²	35	85.4 Å²	85.4	21%	0.212	41%	0.411	C	S	.	.	H	α-helix	trans	-64.8	-30.8	173.2	170.1	0	0	0	0	111.3	I96 K97 T98 K108 L111 V112	I96-V100 HydrophobicContact CG2-CG2 4.32Å; I96-V100 WeakPolarHBondContact O-CG2 3.48Å; I96-V100 PolarHBondContact O-N 2.81Å; K97-V100 PolarHBondContact O-N 3.4Å; T98-V100 PolarHBondContact O-N 2.96Å; V100-K108 WeakPolarHBondContact O-CD 3.18Å; V100-K108 WeakPolarHBondContact O-CE 3.19Å; V100-K108 PolarHBondContact O-NZ 3.29Å; V100-L111 HydrophobicContact CG2-CB 3.67Å; V100-L111 HydrophobicContact CG2-CD1 4.44Å; V100-V112 HydrophobicContact CG1-CG2 4.05Å; V100-V112 HydrophobicContact CG2-CG2 4.06Å
101	A	89.6	Confident	89	Confident	81 Å²	81	81.7 Å²	81.7	67%	0.669	39%	0.394	S	S	*	.	H	α-helix	trans	-77.2	-25.4	172.7	0	0	0	0	0	113.7	K97 T98 W99	K97-A101 PolarHBondContact O-N 2.57Å; K97-A101 VanDerWaalsContact O-N 3.08Å; T98-A101 WeakPolarHBondContact O-CB 3.32Å; T98-A101 PolarHBondContact O-N 3.25Å; T98-A101 VanDerWaalsContact O-N 3.15Å; W99-A101 PolarHBondContact O-N 2.87Å
102	S	85.9	Confident	88.8	Confident	38 Å²	38	75.2 Å²	75.2	27%	0.266	38%	0.375	S	S	.	.			trans	-69.6	145.3	177.1	-51.8	0	0	0	0	113	T98 W99 K108	T98-S102 PolarHBondContact O-N 2.94Å; T98-S102 PolarHBondContact O-OG 2.89Å; T98-S102 VanDerWaalsContact O-OG 3.05Å; W99-S102 WeakPolarHBondContact O-CB 3.42Å; W99-S102 PolarHBondContact O-N 3.43Å; S102-K108 WeakPolarHBondContact O-CE 3.45Å; S102-K108 PolarHBondContact O-NZ 2.71Å
103	N	85.1	Confident	88.8	Confident	152 Å²	152	78.9 Å²	78.9	81%	0.813	39%	0.392	S	S	*	.	S	Bend	trans	-90.3	-3.3	177.2	-90.2	14.3	0	0	0	115	I105	N103-I105 VanDerWaalsContact C-N 3.26Å; N103-I105 PolarHBondContact O-N 3.29Å
104	E	81.4	Confident	88.6	Confident	142 Å²	142	77.1 Å²	77.1	66%	0.664	39%	0.387	S	S	*	.	S	Bend	trans	-72.6	-20.5	-178.9	-57.7	-176.6	162.6	0	0	113.3	L41	L41-E104 HydrophobicContact CD2-CB 4.16Å
105	I	82.4	Confident	88.5	Confident	14 Å²	14	77.9 Å²	77.9	7%	0.072	39%	0.386	C	S	.	.			trans	-102	115.6	-173.4	-62.1	162.1	0	0	0	109.3	L41 I45 W99 N103 D107 K108 L111	L41-I105 HydrophobicContact CD2-CD1 4.44Å; L41-I105 HydrophobicContact CD2-CG1 4.07Å; I45-I105 HydrophobicContact CD1-CD1 3.55Å; I45-I105 HydrophobicContact CD1-CG1 3.85Å; I45-I105 HydrophobicContact CD1-CG2 4.49Å; I45-I105 HydrophobicContact CG1-CD1 4.47Å; W99-I105 HydrophobicContact CB-CD1 3.57Å; W99-I105 HydrophobicContact CG-CD1 3.95Å; N103-I105 VanDerWaalsContact C-N 3.26Å; N103-I105 PolarHBondContact O-N 3.29Å; I105-D107 WeakPolarHBondContact CG2-O 3.47Å; I105-K108 HydrophobicContact CG2-CG 4.28Å; I105-K108 VanDerWaalsContact O-CE 3.3Å; I105-K108 WeakPolarHBondContact O-CE 3.29Å; I105-L111 HydrophobicContact CD1-CD1 4.18Å; I105-L111 HydrophobicContact CG2-CD1 3.92Å
106	K	77.3	Confident	88.6	Confident	193 Å²	193	80 Å²	80	84%	0.839	39%	0.394	S	S	*	.	S	Bend	trans	-81	-37.3	-175.3	-66.3	-162.7	174.2	-165.6	0	114
107	D	78.3	Confident	88.6	Confident	110 Å²	110	83.5 Å²	83.5	59%	0.588	41%	0.412	S	S	*	.			trans	-104.5	113.8	172.2	-169.6	-12.5	0	0	0	109.6	I105 R109	I105-D107 WeakPolarHBondContact CG2-O 3.47Å; D107-R109 WeakPolarHBondContact OD1-CB 3.48Å; D107-R109 PolarHBondContact OD1-N 3.31Å
108	K	88.7	Confident	88.5	Confident	57 Å²	57	79.3 Å²	79.3	25%	0.248	39%	0.394	C	S	.	.			trans	-104.2	-1.4	178.9	-62.9	-178.7	176.4	-173.5	0	112.4	V100 S102 I105 L111 V112	V100-K108 WeakPolarHBondContact O-CD 3.18Å; V100-K108 WeakPolarHBondContact O-CE 3.19Å; V100-K108 PolarHBondContact O-NZ 3.29Å; S102-K108 WeakPolarHBondContact O-CE 3.45Å; S102-K108 PolarHBondContact O-NZ 2.71Å; I105-K108 HydrophobicContact CG2-CG 4.28Å; I105-K108 VanDerWaalsContact O-CE 3.3Å; I105-K108 WeakPolarHBondContact O-CE 3.29Å; K108-L111 PolarHBondContact O-N 2.96Å; K108-V112 WeakPolarHBondContact O-CG2 3.41Å; K108-V112 PolarHBondContact O-N 3.44Å
109	R	89.2	Confident	88.5	Confident	191 Å²	191	77.8 Å²	77.8	72%	0.721	38%	0.381	S	S	*	.	H	α-helix	trans	-61.4	-53.9	-173.9	-174.1	176.8	177.1	167.1	-0.1	111.5	D107 L111 V112 E113	D107-R109 WeakPolarHBondContact OD1-CB 3.48Å; D107-R109 PolarHBondContact OD1-N 3.31Å; R109-L111 VanDerWaalsContact C-N 3.28Å; R109-L111 PolarHBondContact O-N 3.49Å; R109-V112 PolarHBondContact O-N 2.99Å; R109-E113 WeakPolarHBondContact O-CB 3.28Å; R109-E113 PolarHBondContact O-N 3.27Å
110	Q	86.8	Confident	88.6	Confident	95 Å²	95	80 Å²	80	44%	0.444	40%	0.397	S	S	.	.	H	α-helix	trans	-60.2	-37.7	-179.7	-156.3	64.1	34	0	0	112.6	L49 E113 N114	L49-Q110 HydrophobicContact CD1-CB 4.44Å; L49-Q110 HydrophobicContact CD1-CG 3.84Å; L49-Q110 HydrophobicContact CD2-CG 4.48Å; Q110-E113 PolarHBondContact NE2-OE2 3.42Å; Q110-N114 WeakPolarHBondContact O-CB 3.5Å; Q110-N114 PolarHBondContact O-N 3.07Å; Q110-N114 PolarHBondContact O-ND2 3.17Å
111	L	90.5	Very high	88.6	Confident	3 Å²	3	78.8 Å²	78.8	2%	0.016	39%	0.389	C	S	.	.	H	α-helix	trans	-67.1	-46	176.6	-73.8	167.5	0	0	0	111.6	I45 L49 I96 W99 V100 I105 K108 R109 E113 R115	I45-L111 HydrophobicContact CG2-CD2 3.96Å; I45-L111 HydrophobicContact CG2-CG 4.41Å; L49-L111 HydrophobicContact CD2-CD2 4.37Å; I96-L111 HydrophobicContact CB-CD2 4.39Å; I96-L111 HydrophobicContact CG1-CD2 3.99Å; I96-L111 HydrophobicContact CG2-CB 4.06Å; I96-L111 HydrophobicContact CG2-CD2 3.96Å; I96-L111 VanDerWaalsContact CG2-O 3.22Å; I96-L111 WeakPolarHBondContact CG2-O 3.46Å; W99-L111 HydrophobicContact CB-CD1 4.3Å; W99-L111 HydrophobicContact CE3-CD2 4.04Å; V100-L111 HydrophobicContact CG2-CB 3.67Å; V100-L111 HydrophobicContact CG2-CD1 4.44Å; I105-L111 HydrophobicContact CD1-CD1 4.18Å; I105-L111 HydrophobicContact CG2-CD1 3.92Å; K108-L111 PolarHBondContact O-N 2.96Å; R109-L111 VanDerWaalsContact C-N 3.28Å; R109-L111 PolarHBondContact O-N 3.49Å; L111-E113 VanDerWaalsContact C-N 3.35Å; L111-R115 VanDerWaalsContact O-CB 3.23Å; L111-R115 WeakPolarHBondContact O-CB 3.34Å; L111-R115 PolarHBondContact O-N 3.05Å
112	V	91.6	Very high	88.6	Confident	54 Å²	54	76.7 Å²	76.7	33%	0.327	37%	0.366	S	S	.	.	H	α-helix	trans	-65.7	-37.9	177.4	169.8	0	0	0	0	111.5	V100 K108 R109 R115 K116	V100-V112 HydrophobicContact CG1-CG2 4.05Å; V100-V112 HydrophobicContact CG2-CG2 4.06Å; K108-V112 WeakPolarHBondContact O-CG2 3.41Å; K108-V112 PolarHBondContact O-N 3.44Å; R109-V112 PolarHBondContact O-N 2.99Å; V112-R115 WeakPolarHBondContact O-CB 3.48Å; V112-R115 PolarHBondContact O-N 2.83Å; V112-K116 WeakPolarHBondContact O-CG 3.36Å; V112-K116 PolarHBondContact O-N 3.08Å
113	E	93.4	Very high	88.8	Confident	102 Å²	102	80.5 Å²	80.5	48%	0.477	38%	0.38	S	S	.	.	H	α-helix	trans	-64.6	-49	175.7	-175.8	168.3	-115.7	0	0	112	R109 Q110 L111 R115 K116 L117	R109-E113 WeakPolarHBondContact O-CB 3.28Å; R109-E113 PolarHBondContact O-N 3.27Å; Q110-E113 PolarHBondContact NE2-OE2 3.42Å; L111-E113 VanDerWaalsContact C-N 3.35Å; E113-R115 VanDerWaalsContact C-N 3.31Å; E113-R115 PolarHBondContact O-N 3.11Å; E113-K116 WeakPolarHBondContact O-CB 3.32Å; E113-K116 PolarHBondContact O-N 3.21Å; E113-K116 VanDerWaalsContact O-N 3.12Å; E113-L117 PolarHBondContact O-N 3Å
114	N	90.9	Very high	88.8	Confident	17 Å²	17	78 Å²	78	9%	0.091	36%	0.359	C	S	.	.	H	α-helix	trans	-66.6	-32.8	176.8	-83.1	-104.6	0	0	0	112.3	L49 V52 I96 Q110 L117 I118	L49-N114 HydrophobicContact CD2-CB 3.64Å; L49-N114 VanDerWaalsContact CD2-CG 3.48Å; V52-N114 HydrophobicContact CG1-CB 4.27Å; I96-N114 HydrophobicContact CD1-CB 4.33Å; Q110-N114 WeakPolarHBondContact O-CB 3.5Å; Q110-N114 PolarHBondContact O-N 3.07Å; Q110-N114 PolarHBondContact O-ND2 3.17Å; N114-L117 PolarHBondContact O-N 3.2Å; N114-I118 WeakPolarHBondContact O-CD1 3.26Å; N114-I118 WeakPolarHBondContact O-CG1 3.38Å; N114-I118 PolarHBondContact O-N 3.46Å
115	R	93.8	Very high	89.3	Confident	64 Å²	64	72.2 Å²	72.2	24%	0.242	33%	0.332	C	S	.	.	H	α-helix	trans	-61.2	-42.8	170.6	-172.3	-170.3	161.4	-69.1	-3.4	111.6	R93 I96 L111 V112 E113 E119	R93-R115 HydrophobicContact CG-CG 4.06Å; I96-R115 HydrophobicContact CG2-CB 3.88Å; I96-R115 HydrophobicContact CG2-CG 4.48Å; L111-R115 VanDerWaalsContact O-CB 3.23Å; L111-R115 WeakPolarHBondContact O-CB 3.34Å; L111-R115 PolarHBondContact O-N 3.05Å; V112-R115 WeakPolarHBondContact O-CB 3.48Å; V112-R115 PolarHBondContact O-N 2.83Å; E113-R115 VanDerWaalsContact C-N 3.31Å; E113-R115 PolarHBondContact O-N 3.11Å; R115-E119 IonicContact CZ-OE1 3.18Å; R115-E119 IonicContact CZ-OE2 2.79Å; R115-E119 IonicContact NE-OE1 3.64Å; R115-E119 IonicContact NH1-OE1 2.97Å; R115-E119 PolarHBondContact NH1-OE1 3.3Å; R115-E119 IonicContact NH1-OE2 3.77Å; R115-E119 PolarHBondContact NH1-OE2 3.45Å; R115-E119 IonicContact NH2-OE1 2.65Å; R115-E119 PolarHBondContact NH2-OE1 3.23Å; R115-E119 IonicContact NH2-OE2 2.7Å; R115-E119 WeakPolarHBondContact O-CG 3.48Å; R115-E119 PolarHBondContact O-N 3.17Å
116	K	94.6	Very high	89.8	Confident	130 Å²	130	77.2 Å²	77.2	57%	0.565	35%	0.353	S	S	*	.	H	α-helix	trans	-66.3	-44.9	175.8	-76.3	-179.4	175.6	-171.1	0	112	V112 E113 I118 E119 T120	V112-K116 WeakPolarHBondContact O-CG 3.36Å; V112-K116 PolarHBondContact O-N 3.08Å; E113-K116 WeakPolarHBondContact O-CB 3.32Å; E113-K116 PolarHBondContact O-N 3.21Å; E113-K116 VanDerWaalsContact O-N 3.12Å; K116-I118 VanDerWaalsContact C-N 3.27Å; K116-I118 PolarHBondContact O-N 3.15Å; K116-E119 WeakPolarHBondContact O-CA 3.43Å; K116-E119 WeakPolarHBondContact O-CB 3.41Å; K116-E119 PolarHBondContact O-N 3.2Å; K116-T120 PolarHBondContact O-N 3.37Å; K116-T120 PolarHBondContact O-OG1 2.85Å
117	L	93.6	Very high	90.1	Very high	74 Å²	74	70.8 Å²	70.8	39%	0.387	33%	0.33	S	S	.	.	H	α-helix	trans	-55.6	-42.4	178.5	-177.7	62.9	0	0	0	112	V56 E113 N114 T120 Q121	V56-L117 HydrophobicContact CG1-CD1 4.41Å; V56-L117 HydrophobicContact CG1-CD2 4.24Å; V56-L117 HydrophobicContact CG1-CG 4.27Å; V56-L117 HydrophobicContact CG2-CD2 4.18Å; V56-L117 HydrophobicContact CG2-CG 4.14Å; E113-L117 PolarHBondContact O-N 3Å; N114-L117 PolarHBondContact O-N 3.2Å; L117-T120 PolarHBondContact O-N 3.46Å; L117-Q121 PolarHBondContact O-N 2.93Å; L117-Q121 VanDerWaalsContact O-N 3.17Å
118	I	92.8	Very high	90.3	Very high	0 Å²	0	65.9 Å²	65.9	0%	0	30%	0.304	C	S	.	.	H	α-helix	trans	-65.1	-41.7	173.9	-62.9	162	0	0	0	111.5	V52 L89 L92 R93 I96 N114 K116 T120 Q121 M122	V52-I118 HydrophobicContact CB-CD1 4.44Å; V52-I118 HydrophobicContact CG1-CD1 3.75Å; V52-I118 HydrophobicContact CG1-CG1 3.71Å; V52-I118 HydrophobicContact CG2-CD1 3.77Å; L89-I118 HydrophobicContact CB-CG1 4.43Å; L89-I118 HydrophobicContact CB-CG2 3.8Å; L89-I118 HydrophobicContact CD2-CG1 4.39Å; L92-I118 HydrophobicContact CB-CD1 4.46Å; R93-I118 HydrophobicContact CB-CB 4.2Å; R93-I118 HydrophobicContact CB-CD1 3.75Å; R93-I118 HydrophobicContact CB-CG2 3.76Å; R93-I118 HydrophobicContact CG-CB 4.46Å; R93-I118 HydrophobicContact CG-CG2 4.21Å; I96-I118 HydrophobicContact CD1-CD1 4.49Å; N114-I118 WeakPolarHBondContact O-CD1 3.26Å; N114-I118 WeakPolarHBondContact O-CG1 3.38Å; N114-I118 PolarHBondContact O-N 3.46Å; K116-I118 VanDerWaalsContact C-N 3.27Å; K116-I118 PolarHBondContact O-N 3.15Å; I118-T120 VanDerWaalsContact C-N 3.32Å; I118-T120 PolarHBondContact O-N 3.38Å; I118-Q121 PolarHBondContact O-N 3.23Å; I118-M122 HydrophobicContact CG2-CG 4.22Å; I118-M122 HydrophobicContact CG2-SD 4.11Å; I118-M122 WeakPolarHBondContact O-CG 3.46Å; I118-M122 PolarHBondContact O-N 3.41Å
119	E	93.3	Very high	90.2	Very high	54 Å²	54	65.2 Å²	65.2	25%	0.252	30%	0.301	S	S	.	.	H	α-helix	trans	-63.9	-36.6	179.5	-73.5	170.7	169.8	0	0	112	R93 R115 K116 M122 E123	R93-E119 HydrophobicContact CG-CG 4.45Å; R93-E119 IonicContact CZ-OE1 2.64Å; R93-E119 IonicContact NE-OE1 3.97Å; R93-E119 PolarHBondContact NE-OE1 2.96Å; R93-E119 IonicContact NH2-OE1 3.43Å; R93-E119 PolarHBondContact NH2-OE1 3.46Å; R115-E119 IonicContact CZ-OE1 3.18Å; R115-E119 IonicContact CZ-OE2 2.79Å; R115-E119 IonicContact NE-OE1 3.64Å; R115-E119 IonicContact NH1-OE1 2.97Å; R115-E119 PolarHBondContact NH1-OE1 3.3Å; R115-E119 IonicContact NH1-OE2 3.77Å; R115-E119 PolarHBondContact NH1-OE2 3.45Å; R115-E119 IonicContact NH2-OE1 2.65Å; R115-E119 PolarHBondContact NH2-OE1 3.23Å; R115-E119 IonicContact NH2-OE2 2.7Å; R115-E119 WeakPolarHBondContact O-CG 3.48Å; R115-E119 PolarHBondContact O-N 3.17Å; K116-E119 WeakPolarHBondContact O-CA 3.43Å; K116-E119 WeakPolarHBondContact O-CB 3.41Å; K116-E119 PolarHBondContact O-N 3.2Å; E119-M122 PolarHBondContact O-N 3.12Å; E119-E123 PolarHBondContact O-N 3.48Å
120	T	93.3	Very high	89.8	Confident	73 Å²	73	63.2 Å²	63.2	45%	0.448	29%	0.294	S	S	.	.	H	α-helix	trans	-63.2	-43.6	170.7	-56.9	0	0	0	0	112.5	K116 L117 I118 E123 R124	K116-T120 PolarHBondContact O-N 3.37Å; K116-T120 PolarHBondContact O-OG1 2.85Å; L117-T120 PolarHBondContact O-N 3.46Å; I118-T120 VanDerWaalsContact C-N 3.32Å; I118-T120 PolarHBondContact O-N 3.38Å; T120-E123 WeakPolarHBondContact O-CB 3.35Å; T120-E123 PolarHBondContact O-N 3.42Å; T120-E123 VanDerWaalsContact O-N 3.15Å; T120-R124 PolarHBondContact O-N 3.03Å
121	Q	88.6	Confident	89.2	Confident	10 Å²	10	62.1 Å²	62.1	5%	0.047	29%	0.289	C	S	.	.	H	α-helix	trans	-70.3	-33.5	176.9	-63.5	-65.8	26.3	0	0	112.5	V56 F59 E60 I86 L117 I118 E123 R124 F125	V56-Q121 HydrophobicContact CG1-CG 4.13Å; V56-Q121 HydrophobicContact CG2-CG 4.37Å; F59-Q121 HydrophobicContact CD1-CB 3.99Å; F59-Q121 VanDerWaalsContact CD1-CD 3.46Å; F59-Q121 HydrophobicContact CD1-CG 4.04Å; F59-Q121 HydrophobicContact CE1-CB 4.06Å; F59-Q121 HydrophobicContact CE1-CG 4.36Å; F59-Q121 HydrophobicContact CG-CB 4.42Å; E60-Q121 PolarHBondContact OE2-NE2 3.01Å; E60-Q121 PolarHBondContact OE2-OE1 3.49Å; I86-Q121 HydrophobicContact CD1-CB 4.38Å; L117-Q121 PolarHBondContact O-N 2.93Å; L117-Q121 VanDerWaalsContact O-N 3.17Å; I118-Q121 PolarHBondContact O-N 3.23Å; Q121-E123 PolarHBondContact O-N 3.06Å; Q121-R124 PolarHBondContact O-N 3.41Å; Q121-F125 PolarHBondContact O-N 3.34Å
122	M	88.4	Confident	88.4	Confident	37 Å²	37	64.5 Å²	64.5	18%	0.182	30%	0.304	C	S	.	.	H	α-helix	trans	-62.2	-31.8	169	-71.8	-178.8	70.7	0	0	112.4	I86 Q90 I118 E119 K126	I86-M122 HydrophobicContact CD1-CG 4.25Å; I86-M122 HydrophobicContact CG2-CG 4.2Å; Q90-M122 HydrophobicContact CB-CE 4.27Å; Q90-M122 HydrophobicContact CB-SD 4.16Å; Q90-M122 HydrophobicContact CG-CE 3.82Å; Q90-M122 HydrophobicContact CG-SD 4.1Å; I118-M122 HydrophobicContact CG2-CG 4.22Å; I118-M122 HydrophobicContact CG2-SD 4.11Å; I118-M122 WeakPolarHBondContact O-CG 3.46Å; I118-M122 PolarHBondContact O-N 3.41Å; E119-M122 PolarHBondContact O-N 3.12Å; M122-K126 WeakPolarHBondContact O-CG 3.02Å; M122-K126 PolarHBondContact O-N 2.94Å
123	E	91.4	Very high	87.4	Confident	119 Å²	119	67.5 Å²	67.5	56%	0.556	31%	0.312	S	S	*	.	H	α-helix	trans	-74.7	-45.4	175.5	-176	147.1	-112.2	0	0	112.5	E119 T120 Q121 F125 K126 V127	E119-E123 PolarHBondContact O-N 3.48Å; T120-E123 WeakPolarHBondContact O-CB 3.35Å; T120-E123 PolarHBondContact O-N 3.42Å; T120-E123 VanDerWaalsContact O-N 3.15Å; Q121-E123 PolarHBondContact O-N 3.06Å; E123-F125 PolarHBondContact O-N 3.37Å; E123-K126 WeakPolarHBondContact O-CB 3.48Å; E123-K126 PolarHBondContact O-N 3.44Å; E123-V127 PolarHBondContact O-N 2.97Å
124	R	84.8	Confident	85.4	Confident	99 Å²	99	67 Å²	67	37%	0.374	32%	0.316	S	S	.	.	H	α-helix	trans	-54.8	-40.9	170.6	-77	168.8	156.4	-155	-7.1	111.9	F59 E60 T120 Q121 K126 V127 V128	F59-R124 HydrophobicContact CE1-CB 4.37Å; F59-R124 HydrophobicContact CZ-CB 4.42Å; E60-R124 IonicContact OE1-CZ 2.64Å; E60-R124 IonicContact OE1-NH1 3.08Å; E60-R124 PolarHBondContact OE1-NH1 2.86Å; E60-R124 IonicContact OE1-NH2 2.68Å; E60-R124 IonicContact OE2-NH1 2.59Å; E60-R124 PolarHBondContact OE2-NH1 3.31Å; T120-R124 PolarHBondContact O-N 3.03Å; Q121-R124 PolarHBondContact O-N 3.41Å; R124-K126 PolarHBondContact O-N 3.17Å; R124-V127 WeakPolarHBondContact O-CB 3.22Å; R124-V127 PolarHBondContact O-N 2.92Å; R124-V128 PolarHBondContact O-N 3.21Å
125	F	92.1	Very high	83.8	Confident	21 Å²	21	72.1 Å²	72.1	9%	0.092	34%	0.337	C	S	.	.	H	α-helix	trans	-63.7	-36.5	173	177.4	-125.6	0	0	0	113.7	F59 L82 K83 I86 Q121 E123 V127 V128 E129	F59-F125 HydrophobicContact CE2-CB 4.06Å; F59-F125 HydrophobicContact CZ-CB 4.13Å; L82-F125 HydrophobicContact CD2-CB 4.29Å; L82-F125 HydrophobicContact CD2-CD2 3.14Å; L82-F125 HydrophobicContact CD2-CE2 3.7Å; L82-F125 HydrophobicContact CD2-CG 3.96Å; K83-F125 HydrophobicContact CB-CE2 4.2Å; K83-F125 HydrophobicContact CB-CZ 3.83Å; K83-F125 HydrophobicContact CD-CZ 3.94Å; K83-F125 HydrophobicContact CG-CE1 4.32Å; K83-F125 HydrophobicContact CG-CZ 3.69Å; I86-F125 HydrophobicContact CB-CD1 4.17Å; I86-F125 HydrophobicContact CD1-CB 4.04Å; I86-F125 HydrophobicContact CG1-CB 3.75Å; I86-F125 HydrophobicContact CG1-CD1 3.91Å; I86-F125 HydrophobicContact CG1-CG 3.82Å; I86-F125 HydrophobicContact CG2-CD1 3.89Å; I86-F125 HydrophobicContact CG2-CE1 4.41Å; Q121-F125 PolarHBondContact O-N 3.34Å; E123-F125 PolarHBondContact O-N 3.37Å; F125-V127 VanDerWaalsContact C-N 3.26Å; F125-V127 PolarHBondContact O-N 3.49Å; F125-V128 PolarHBondContact O-N 2.97Å; F125-E129 HydrophobicContact CE2-CB 4.14Å; F125-E129 HydrophobicContact CE2-CG 4.44Å; F125-E129 HydrophobicContact CZ-CB 4.16Å; F125-E129 HydrophobicContact CZ-CG 4.14Å; F125-E129 WeakPolarHBondContact O-CB 3.29Å; F125-E129 PolarHBondContact O-N 3.35Å
126	K	92.1	Very high	81.7	Confident	118 Å²	118	72.2 Å²	72.2	51%	0.513	35%	0.352	S	S	.	.	H	α-helix	trans	-63.4	-32.9	174.5	-68.7	169.3	-169.1	169.4	0	112.2	M122 E123 R124 R130	M122-K126 WeakPolarHBondContact O-CG 3.02Å; M122-K126 PolarHBondContact O-N 2.94Å; E123-K126 WeakPolarHBondContact O-CB 3.48Å; E123-K126 PolarHBondContact O-N 3.44Å; R124-K126 PolarHBondContact O-N 3.17Å; K126-R130 WeakPolarHBondContact O-CB 3.29Å; K126-R130 PolarHBondContact O-N 2.67Å
127	V	84.6	Confident	79.2	Confident	58 Å²	58	76.2 Å²	76.2	35%	0.352	37%	0.365	S	S	.	.	H	α-helix	trans	-64.4	-52	174.3	-177.9	0	0	0	0	109.7	E123 R124 F125 E129 R130 E131	E123-V127 PolarHBondContact O-N 2.97Å; R124-V127 WeakPolarHBondContact O-CB 3.22Å; R124-V127 PolarHBondContact O-N 2.92Å; F125-V127 VanDerWaalsContact C-N 3.26Å; F125-V127 PolarHBondContact O-N 3.49Å; V127-E129 PolarHBondContact O-N 3Å; V127-R130 WeakPolarHBondContact O-CB 3.41Å; V127-R130 PolarHBondContact O-N 3.02Å; V127-E131 PolarHBondContact O-N 3.29Å
128	V	82.9	Confident	77.1	Confident	7 Å²	7	75.5 Å²	75.5	4%	0.042	37%	0.366	C	S	.	.	H	α-helix	trans	-57.6	-47.8	176.3	172.4	0	0	0	0	112.2	L66 R124 F125 R130 E131 T132	L66-V128 HydrophobicContact CD2-CG1 3.45Å; L66-V128 VanDerWaalsContact CD2-CG1 3.45Å; R124-V128 PolarHBondContact O-N 3.21Å; F125-V128 PolarHBondContact O-N 2.97Å; V128-R130 VanDerWaalsContact C-N 3.31Å; V128-R130 PolarHBondContact O-N 2.84Å; V128-E131 PolarHBondContact O-N 3.04Å; V128-T132 PolarHBondContact O-N 3.33Å; V128-T132 PolarHBondContact O-OG1 2.87Å
129	E	84.9	Confident	74.9	Confident	43 Å²	43	83 Å²	83	20%	0.201	40%	0.399	C	S	.	.	H	α-helix	trans	-67.2	-33.5	-178.9	-154.2	-161.6	-144.1	0	0	111.7	K83 F125 V127 K133	K83-E129 WeakPolarHBondContact CE-OE1 3.17Å; K83-E129 IonicContact NZ-OE1 3.5Å; K83-E129 PolarHBondContact NZ-OE1 2.97Å; F125-E129 HydrophobicContact CE2-CB 4.14Å; F125-E129 HydrophobicContact CE2-CG 4.44Å; F125-E129 HydrophobicContact CZ-CB 4.16Å; F125-E129 HydrophobicContact CZ-CG 4.14Å; F125-E129 WeakPolarHBondContact O-CB 3.29Å; F125-E129 PolarHBondContact O-N 3.35Å; V127-E129 PolarHBondContact O-N 3Å; E129-K133 HydrophobicContact CG-CD 4.22Å; E129-K133 VanDerWaalsContact O-CB 3.28Å; E129-K133 WeakPolarHBondContact O-CB 3.42Å; E129-K133 WeakPolarHBondContact O-CD 3.45Å; E129-K133 WeakPolarHBondContact O-CG 3.46Å; E129-K133 PolarHBondContact O-N 2.79Å; E129-K133 VanDerWaalsContact O-N 3.12Å; E129-K133 IonicContact OE1-NZ 3.22Å; E129-K133 PolarHBondContact OE1-NZ 2.97Å; E129-K133 IonicContact OE2-NZ 3.29Å; E129-K133 PolarHBondContact OE2-NZ 3.44Å
130	R	82.4	Confident	72.6	Confident	149 Å²	149	88.9 Å²	88.9	56%	0.562	43%	0.426	S	S	*	.	H	α-helix	trans	-65.4	-50.7	171.8	-172.7	-164.4	-57.2	115.7	-4.8	110.5	K126 V127 V128 T132 K133 T134	K126-R130 WeakPolarHBondContact O-CB 3.29Å; K126-R130 PolarHBondContact O-N 2.67Å; V127-R130 WeakPolarHBondContact O-CB 3.41Å; V127-R130 PolarHBondContact O-N 3.02Å; V128-R130 VanDerWaalsContact C-N 3.31Å; V128-R130 PolarHBondContact O-N 2.84Å; R130-T132 PolarHBondContact O-N 2.77Å; R130-K133 PolarHBondContact O-N 2.7Å; R130-T134 WeakPolarHBondContact O-CB 3.33Å; R130-T134 PolarHBondContact O-N 3.48Å; R130-T134 PolarHBondContact O-OG1 3Å; R130-T134 VanDerWaalsContact O-OG1 3.12Å
131	E	74	Confident	70.3	Confident	72 Å²	72	87.9 Å²	87.9	34%	0.336	43%	0.431	S	S	.	.	H	α-helix	trans	-57.2	-49.4	179.4	-80.8	-169.8	-125.1	0	0	112.1	V127 V128 K133 T134 K135	V127-E131 PolarHBondContact O-N 3.29Å; V128-E131 PolarHBondContact O-N 3.04Å; E131-K133 PolarHBondContact O-N 2.89Å; E131-T134 PolarHBondContact O-N 2.98Å; E131-K135 HydrophobicContact CB-CD 4.48Å; E131-K135 VanDerWaalsContact O-CB 3.24Å; E131-K135 WeakPolarHBondContact O-CB 3.31Å; E131-K135 WeakPolarHBondContact O-CD 3.27Å; E131-K135 WeakPolarHBondContact O-CG 3.46Å; E131-K135 PolarHBondContact O-N 2.9Å; E131-K135 IonicContact OE2-NZ 2.79Å; E131-K135 PolarHBondContact OE2-NZ 2.96Å
132	T	74.1	Confident	67.9	Low	54 Å²	54	92.6 Å²	92.6	33%	0.331	46%	0.456	S	S	.	.	H	α-helix	trans	-68.2	-36.8	-178.5	-50.6	0	0	0	0	111.9	E79 V128 R130 K135 A136	E79-T132 VanDerWaalsContact OE2-CG2 3.26Å; E79-T132 WeakPolarHBondContact OE2-CG2 3.47Å; V128-T132 PolarHBondContact O-N 3.33Å; V128-T132 PolarHBondContact O-OG1 2.87Å; R130-T132 PolarHBondContact O-N 2.77Å; T132-K135 PolarHBondContact O-N 3.17Å; T132-A136 WeakPolarHBondContact O-CB 3.37Å; T132-A136 PolarHBondContact O-N 3.22Å
133	K	69.7	Low	65.8	Low	117 Å²	117	94 Å²	94	51%	0.509	48%	0.479	S	S	.	.	H	α-helix	trans	-64.6	-44.2	174.1	-75.8	170.8	177.9	172.1	0	112.6	E129 R130 E131 A136 Y137	E129-K133 HydrophobicContact CG-CD 4.22Å; E129-K133 VanDerWaalsContact O-CB 3.28Å; E129-K133 WeakPolarHBondContact O-CB 3.42Å; E129-K133 WeakPolarHBondContact O-CD 3.45Å; E129-K133 WeakPolarHBondContact O-CG 3.46Å; E129-K133 PolarHBondContact O-N 2.79Å; E129-K133 VanDerWaalsContact O-N 3.12Å; E129-K133 IonicContact OE1-NZ 3.22Å; E129-K133 PolarHBondContact OE1-NZ 2.97Å; E129-K133 IonicContact OE2-NZ 3.29Å; E129-K133 PolarHBondContact OE2-NZ 3.44Å; R130-K133 PolarHBondContact O-N 2.7Å; E131-K133 PolarHBondContact O-N 2.89Å; K133-A136 PolarHBondContact O-N 3.34Å; K133-Y137 PolarHBondContact O-N 2.84Å
134	T	51.8	Low	63.5	Low	90 Å²	90	95 Å²	95	55%	0.552	49%	0.488	S	S	*	.	H	α-helix	trans	-65.9	-41.9	176.1	-59.5	0	0	0	0	111.1	R130 E131 A136 Y137 S138	R130-T134 WeakPolarHBondContact O-CB 3.33Å; R130-T134 PolarHBondContact O-N 3.48Å; R130-T134 PolarHBondContact O-OG1 3Å; R130-T134 VanDerWaalsContact O-OG1 3.12Å; E131-T134 PolarHBondContact O-N 2.98Å; T134-A136 VanDerWaalsContact C-N 3.29Å; T134-A136 PolarHBondContact O-N 3Å; T134-Y137 PolarHBondContact O-N 2.87Å; T134-S138 VanDerWaalsContact O-CB 3.32Å; T134-S138 WeakPolarHBondContact O-CB 3.4Å; T134-S138 PolarHBondContact O-N 2.9Å
135	K	56	Low	61.6	Low	125 Å²	125	92.7 Å²	92.7	54%	0.543	49%	0.49	S	S	.	.	H	α-helix	trans	-66.8	-27.7	176.6	-71.4	164.4	-178	173.7	0	112.5	E131 T132 K139	E131-K135 HydrophobicContact CB-CD 4.48Å; E131-K135 VanDerWaalsContact O-CB 3.24Å; E131-K135 WeakPolarHBondContact O-CB 3.31Å; E131-K135 WeakPolarHBondContact O-CD 3.27Å; E131-K135 WeakPolarHBondContact O-CG 3.46Å; E131-K135 PolarHBondContact O-N 2.9Å; E131-K135 IonicContact OE2-NZ 2.79Å; E131-K135 PolarHBondContact OE2-NZ 2.96Å; T132-K135 PolarHBondContact O-N 3.17Å; K135-K139 PolarHBondContact O-N 3.08Å
136	A	49.9	Very low	59.3	Low	67 Å²	67	100.9 Å²	100.9	55%	0.554	53%	0.529	S	S	*	.	H	α-helix	trans	-68.7	-47.3	171.7	0	0	0	0	0	112.3	T132 K133 T134 S138 K139	T132-A136 WeakPolarHBondContact O-CB 3.37Å; T132-A136 PolarHBondContact O-N 3.22Å; K133-A136 PolarHBondContact O-N 3.34Å; T134-A136 VanDerWaalsContact C-N 3.29Å; T134-A136 PolarHBondContact O-N 3Å; A136-S138 VanDerWaalsContact C-N 3.31Å; A136-S138 PolarHBondContact O-N 3.33Å; A136-K139 WeakPolarHBondContact O-CB 3.47Å; A136-K139 PolarHBondContact O-N 2.81Å
137	Y	43.3	Very low	57.3	Low	214 Å²	214	104.6 Å²	104.6	84%	0.839	55%	0.545	S	S	*	.	H	α-helix	trans	-68.1	-29.6	175.9	-114.4	-84.9	0	0	0	113	K133 T134 K139	K133-Y137 PolarHBondContact O-N 2.84Å; T134-Y137 PolarHBondContact O-N 2.87Å; Y137-K139 VanDerWaalsContact C-N 3.3Å; Y137-K139 PolarHBondContact O-N 3.05Å
138	S	48.2	Very low	55.8	Low	58 Å²	58	104.7 Å²	104.7	41%	0.406	55%	0.546	S	S	.	.	H	α-helix	trans	-71.8	-19.5	175	176.4	0	0	0	0	113.7	T134 A136 E140 G141 L142	T134-S138 VanDerWaalsContact O-CB 3.32Å; T134-S138 WeakPolarHBondContact O-CB 3.4Å; T134-S138 PolarHBondContact O-N 2.9Å; A136-S138 VanDerWaalsContact C-N 3.31Å; A136-S138 PolarHBondContact O-N 3.33Å; S138-E140 VanDerWaalsContact C-N 3.25Å; S138-E140 PolarHBondContact O-N 2.79Å; S138-G141 PolarHBondContact O-N 3.49Å; S138-G141 VanDerWaalsContact O-N 3.12Å; S138-L142 PolarHBondContact O-N 3.22Å
139	K	46.9	Very low	54.9	Low	157 Å²	157	109.6 Å²	109.6	68%	0.683	57%	0.572	S	S	*	*	T	Hydrogen-bonded Turn	trans	-66.8	-22.5	-173.1	-164.5	175	178.7	-174.7	0	114	K135 A136 Y137	K135-K139 PolarHBondContact O-N 3.08Å; A136-K139 WeakPolarHBondContact O-CB 3.47Å; A136-K139 PolarHBondContact O-N 2.81Å; Y137-K139 VanDerWaalsContact C-N 3.3Å; Y137-K139 PolarHBondContact O-N 3.05Å
140	E	44.8	Very low	54.3	Low	178 Å²	178	111.5 Å²	111.5	83%	0.832	59%	0.588	S	S	*	*	T	Hydrogen-bonded Turn	trans	-77.6	-37	173.8	-165	165	-178	0	0	111.8	S138 G143	S138-E140 VanDerWaalsContact C-N 3.25Å; S138-E140 PolarHBondContact O-N 2.79Å; E140-G143 PolarHBondContact O-N 3.18Å
141	G	45.6	Very low	53.8	Low	52 Å²	52	107.4 Å²	107.4	54%	0.536	59%	0.586	S	S	.	*	G	3₁₀ helix	trans	-70.1	-30.1	173.3	0	0	0	0	0	113.9	S138 G143 L144	S138-G141 PolarHBondContact O-N 3.49Å; S138-G141 VanDerWaalsContact O-N 3.12Å; G141-G143 PolarHBondContact O-N 2.95Å; G141-L144 PolarHBondContact O-N 3.44Å; G141-L144 VanDerWaalsContact O-N 3.11Å
142	L	37.6	Very low	53.8	Low	110 Å²	110	108.7 Å²	108.7	58%	0.576	59%	0.591	S	S	*	*	G	3₁₀ helix	trans	-64.4	-7.8	177.4	-94.1	158.8	0	0	0	114.6	S138 L144 A145	S138-L142 PolarHBondContact O-N 3.22Å; L142-L144 VanDerWaalsContact C-N 3.32Å; L142-A145 HydrophobicContact CD2-CB 4.33Å
143	G	44.6	Very low	54.1	Low	66 Å²	66	110.7 Å²	110.7	68%	0.68	59%	0.593	S	S	*	*	G	3₁₀ helix	trans	-71.3	-19.9	169.8	0	0	0	0	0	114.8	E140 G141	E140-G143 PolarHBondContact O-N 3.18Å; G141-G143 PolarHBondContact O-N 2.95Å
144	L	44.2	Very low	54.6	Low	140 Å²	140	109.8 Å²	109.8	73%	0.733	59%	0.591	S	S	*	*	T	Hydrogen-bonded Turn	trans	-104.9	-18.9	-178.7	-83.6	79.1	0	0	0	114.2	G141 L142 Q146 K147	G141-L144 PolarHBondContact O-N 3.44Å; G141-L144 VanDerWaalsContact O-N 3.11Å; L142-L144 VanDerWaalsContact C-N 3.32Å; L144-Q146 PolarHBondContact O-N 3.46Å; L144-K147 PolarHBondContact O-N 2.85Å
145	A	43.5	Very low	56.1	Low	51 Å²	51	106.7 Å²	106.7	42%	0.421	57%	0.569	S	S	.	*	G	3₁₀ helix	trans	-58.9	-24.8	-172.7	0	0	0	0	0	114.3	L142 K147 V148	L142-A145 HydrophobicContact CD2-CB 4.33Å; A145-K147 PolarHBondContact O-N 3.36Å; A145-K147 VanDerWaalsContact O-N 3.1Å; A145-V148 PolarHBondContact O-N 2.83Å
146	Q	43.7	Very low	57.4	Low	193 Å²	193	107 Å²	107	90%	0.902	57%	0.573	S	S	*	*	G	3₁₀ helix	trans	-78	16.5	176.8	-149.7	172	11	0	0	113.9	L144	L144-Q146 PolarHBondContact O-N 3.46Å
147	K	50.6	Low	59.2	Low	195 Å²	195	109.7 Å²	109.7	85%	0.848	57%	0.574	S	S	*	*	G	3₁₀ helix	trans	-127.7	17.3	171.3	-89.5	-166.2	170.9	-168.4	0	114.3	L144 A145 D149	L144-K147 PolarHBondContact O-N 2.85Å; A145-K147 PolarHBondContact O-N 3.36Å; A145-K147 VanDerWaalsContact O-N 3.1Å; K147-D149 PolarHBondContact O-N 3.24Å
148	V	52.4	Low	61.2	Low	61 Å²	61	100 Å²	100	37%	0.37	54%	0.537	S	S	.	.			trans	-68.1	117.1	163.1	-178.8	0	0	0	0	108.3	A145 Q152 R153	A145-V148 PolarHBondContact O-N 2.83Å; V148-Q152 HydrophobicContact CG1-CB 4.09Å; V148-Q152 HydrophobicContact CG1-CG 4.17Å; V148-R153 PolarHBondContact O-NH2 3.03Å
149	D	63.6	Low	63.1	Low	110 Å²	110	97.8 Å²	97.8	59%	0.588	52%	0.523	S	S	*	.			trans	-56.9	140.3	-178.8	-160.2	24.7	0	0	0	110.8	K147 A151 Q152 R153	K147-D149 PolarHBondContact O-N 3.24Å; D149-A151 VanDerWaalsContact C-N 3.31Å; D149-A151 PolarHBondContact O-N 3.15Å; D149-Q152 HydrophobicContact CB-CB 4.42Å; D149-Q152 PolarHBondContact O-N 3.01Å; D149-Q152 VanDerWaalsContact O-N 3.08Å; D149-R153 PolarHBondContact O-N 3.02Å
150	P	73.8	Confident	65.2	Low	83 Å²	83	95.3 Å²	95.3	54%	0.539	51%	0.514	S	S	.	.	H	α-helix	trans	-53.6	-42.3	-176.7	-30.5	38.8	0	0	0	114.6	Q152 R153 E154	P150-Q152 VanDerWaalsContact C-N 3.33Å; P150-Q152 PolarHBondContact O-N 2.85Å; P150-R153 WeakPolarHBondContact O-CB 3.41Å; P150-R153 PolarHBondContact O-N 3.05Å; P150-R153 VanDerWaalsContact O-N 3.17Å; P150-E154 PolarHBondContact O-N 2.97Å
151	A	71.3	Confident	67.5	Low	63 Å²	63	88 Å²	88	52%	0.521	48%	0.479	S	S	.	.	H	α-helix	trans	-61.6	-37.5	177.7	0	0	0	0	0	113.1	D149 R153 E154 K155	D149-A151 VanDerWaalsContact C-N 3.31Å; D149-A151 PolarHBondContact O-N 3.15Å; A151-R153 VanDerWaalsContact C-N 3.31Å; A151-R153 PolarHBondContact O-N 3.06Å; A151-E154 PolarHBondContact O-N 2.81Å; A151-K155 PolarHBondContact O-N 3.27Å
152	Q	74.8	Confident	69.6	Low	98 Å²	98	85.5 Å²	85.5	46%	0.458	45%	0.453	S	S	.	.	H	α-helix	trans	-67.7	-32.7	178	-173.3	63.1	43.1	0	0	112.1	V148 D149 P150 E156	V148-Q152 HydrophobicContact CG1-CB 4.09Å; V148-Q152 HydrophobicContact CG1-CG 4.17Å; D149-Q152 HydrophobicContact CB-CB 4.42Å; D149-Q152 PolarHBondContact O-N 3.01Å; D149-Q152 VanDerWaalsContact O-N 3.08Å; P150-Q152 VanDerWaalsContact C-N 3.33Å; P150-Q152 PolarHBondContact O-N 2.85Å; Q152-E156 PolarHBondContact O-N 3.12Å; Q152-E156 VanDerWaalsContact O-N 3.09Å
153	R	79.1	Confident	72.2	Confident	96 Å²	96	82.7 Å²	82.7	36%	0.362	44%	0.441	S	S	.	.	H	α-helix	trans	-70.5	-42.2	173.8	-177.9	-175.6	-53.9	88.6	19	111.4	V148 D149 P150 A151 K155 E156 E157	V148-R153 PolarHBondContact O-NH2 3.03Å; D149-R153 PolarHBondContact O-N 3.02Å; P150-R153 WeakPolarHBondContact O-CB 3.41Å; P150-R153 PolarHBondContact O-N 3.05Å; P150-R153 VanDerWaalsContact O-N 3.17Å; A151-R153 VanDerWaalsContact C-N 3.31Å; A151-R153 PolarHBondContact O-N 3.06Å; R153-K155 VanDerWaalsContact C-N 3.33Å; R153-K155 PolarHBondContact O-N 3.43Å; R153-E156 PolarHBondContact O-N 3.35Å; R153-E157 WeakPolarHBondContact CD-OE1 3.42Å; R153-E157 HydrophobicContact CG-CG 4.35Å; R153-E157 WeakPolarHBondContact CG-OE1 3.25Å; R153-E157 WeakPolarHBondContact O-CB 3.5Å; R153-E157 WeakPolarHBondContact O-CG 2.96Å; R153-E157 PolarHBondContact O-N 3.41Å
154	E	81.2	Confident	74.6	Confident	99 Å²	99	83.4 Å²	83.4	46%	0.463	43%	0.429	S	S	.	.	H	α-helix	trans	-59.5	-44.7	175.4	-130.9	173.5	147.6	0	0	110.9	P150 A151 E156 E157 T158 V231	P150-E154 PolarHBondContact O-N 2.97Å; A151-E154 PolarHBondContact O-N 2.81Å; E154-E156 PolarHBondContact O-N 3.46Å; E154-E157 PolarHBondContact O-N 2.91Å; E154-T158 WeakPolarHBondContact O-CB 3.44Å; E154-T158 PolarHBondContact O-N 3.5Å; E154-T158 PolarHBondContact O-OG1 3.35Å; E154-V231 HydrophobicContact CB-CG1 4.32Å; E154-V231 HydrophobicContact CG-CG1 4.04Å
155	K	82.3	Confident	76.8	Confident	24 Å²	24	77.1 Å²	77.1	10%	0.104	40%	0.396	C	S	.	.	H	α-helix	trans	-57.1	-45.2	171.7	174.1	169.7	176.3	170.5	0	112.7	A151 R153 T158 G159 L224 D225 D227 V231	A151-K155 PolarHBondContact O-N 3.27Å; R153-K155 VanDerWaalsContact C-N 3.33Å; R153-K155 PolarHBondContact O-N 3.43Å; K155-T158 PolarHBondContact O-N 2.86Å; K155-G159 PolarHBondContact O-N 3.17Å; K155-L224 HydrophobicContact CD-CD1 4.36Å; K155-L224 WeakPolarHBondContact CE-O 3.32Å; K155-L224 HydrophobicContact CG-CD1 3.94Å; K155-L224 HydrophobicContact CG-CG 4.14Å; K155-L224 PolarHBondContact NZ-O 3.46Å; K155-D225 PolarHBondContact NZ-O 2.91Å; K155-D227 IonicContact NZ-OD1 2.79Å; K155-D227 PolarHBondContact NZ-OD1 3.28Å; K155-D227 IonicContact NZ-OD2 2.63Å; K155-D227 PolarHBondContact NZ-OD2 2.87Å; K155-V231 HydrophobicContact CB-CG2 4.2Å
156	E	84.1	Confident	79.1	Confident	133 Å²	133	75.3 Å²	75.3	62%	0.621	38%	0.38	S	S	*	.	H	α-helix	trans	-66.1	-42.3	178.7	-171.6	173.7	-163.6	0	0	112.1	Q152 R153 E154 Q160	Q152-E156 PolarHBondContact O-N 3.12Å; Q152-E156 VanDerWaalsContact O-N 3.09Å; R153-E156 PolarHBondContact O-N 3.35Å; E154-E156 PolarHBondContact O-N 3.46Å; E156-Q160 VanDerWaalsContact O-CB 3.29Å; E156-Q160 WeakPolarHBondContact O-CB 3.5Å; E156-Q160 PolarHBondContact O-N 2.85Å
157	E	87.8	Confident	81.6	Confident	123 Å²	123	71 Å²	71	58%	0.575	36%	0.363	S	S	*	.	H	α-helix	trans	-65.5	-39	176.2	-72	174.5	-165.2	0	0	111.8	R153 E154 W161	R153-E157 WeakPolarHBondContact CD-OE1 3.42Å; R153-E157 HydrophobicContact CG-CG 4.35Å; R153-E157 WeakPolarHBondContact CG-OE1 3.25Å; R153-E157 WeakPolarHBondContact O-CB 3.5Å; R153-E157 WeakPolarHBondContact O-CG 2.96Å; R153-E157 PolarHBondContact O-N 3.41Å; E154-E157 PolarHBondContact O-N 2.91Å; E157-W161 PolarHBondContact O-N 3.15Å
158	T	85.3	Confident	83.5	Confident	10 Å²	10	64.2 Å²	64.2	6%	0.061	34%	0.338	C	S	.	.	H	α-helix	trans	-72.5	-40.7	176.2	-58.2	0	0	0	0	113	E154 K155 Q160 W161 L162 L224 V231 I234	E154-T158 WeakPolarHBondContact O-CB 3.44Å; E154-T158 PolarHBondContact O-N 3.5Å; E154-T158 PolarHBondContact O-OG1 3.35Å; K155-T158 PolarHBondContact O-N 2.86Å; T158-Q160 VanDerWaalsContact C-N 3.33Å; T158-W161 WeakPolarHBondContact O-CB 3.46Å; T158-W161 PolarHBondContact O-N 3.05Å; T158-L162 PolarHBondContact O-N 3.07Å; T158-L224 HydrophobicContact CG2-CD2 3.94Å; T158-V231 HydrophobicContact CG2-CG1 4.48Å; T158-V231 VanDerWaalsContact OG1-CG1 3.29Å; T158-V231 WeakPolarHBondContact OG1-CG1 3.4Å; T158-I234 HydrophobicContact CG2-CB 3.93Å; T158-I234 HydrophobicContact CG2-CD1 4.14Å; T158-I234 HydrophobicContact CG2-CG2 3.59Å
159	G	87.1	Confident	85.4	Confident	11 Å²	11	61.3 Å²	61.3	11%	0.113	32%	0.32	C	S	.	.	H	α-helix	trans	-64.7	-37.4	174.1	0	0	0	0	0	112.5	K155 L162 T163	K155-G159 PolarHBondContact O-N 3.17Å; G159-L162 PolarHBondContact O-N 3.33Å; G159-T163 WeakPolarHBondContact O-CB 3.32Å; G159-T163 PolarHBondContact O-N 2.96Å; G159-T163 PolarHBondContact O-OG1 3.41Å
160	Q	91.4	Very high	86.8	Confident	106 Å²	106	59.1 Å²	59.1	50%	0.495	31%	0.309	S	S	.	.	H	α-helix	trans	-67.8	-36.6	173.2	-174.5	62.6	90.9	0	0	112.1	E156 T158 N164	E156-Q160 VanDerWaalsContact O-CB 3.29Å; E156-Q160 WeakPolarHBondContact O-CB 3.5Å; E156-Q160 PolarHBondContact O-N 2.85Å; T158-Q160 VanDerWaalsContact C-N 3.33Å; Q160-N164 PolarHBondContact NE2-OD1 2.84Å; Q160-N164 PolarHBondContact O-N 3.19Å; Q160-N164 VanDerWaalsContact O-N 3.11Å; Q160-N164 PolarHBondContact O-ND2 3.32Å; Q160-N164 PolarHBondContact O-OD1 2.81Å
161	W	93.5	Very high	87.8	Confident	23 Å²	23	61.3 Å²	61.3	9%	0.087	31%	0.313	C	S	.	.	H	α-helix	trans	-61.1	-54.9	170.7	170.2	77.6	0	0	0	111.3	E157 T158 T163 N164 T165 I234 K238 V241 E242	E157-W161 PolarHBondContact O-N 3.15Å; T158-W161 WeakPolarHBondContact O-CB 3.46Å; T158-W161 PolarHBondContact O-N 3.05Å; W161-T163 VanDerWaalsContact C-N 3.25Å; W161-T163 PolarHBondContact O-N 3.04Å; W161-N164 PolarHBondContact O-N 3.18Å; W161-T165 HydrophobicContact CZ2-CG2 4.36Å; W161-T165 PolarHBondContact NE1-OG1 2.68Å; W161-T165 WeakPolarHBondContact O-CB 3.43Å; W161-T165 PolarHBondContact O-N 2.86Å; W161-T165 PolarHBondContact O-OG1 3.44Å; W161-I234 HydrophobicContact CE3-CG2 4.3Å; W161-I234 HydrophobicContact CZ3-CG2 3.77Å; W161-K238 HydrophobicContact CD2-CD 3.82Å; W161-K238 HydrophobicContact CD2-CG 4.31Å; W161-K238 HydrophobicContact CE3-CD 4.31Å; W161-K238 HydrophobicContact CG-CD 4.2Å; W161-K238 HydrophobicContact CH2-CB 3.79Å; W161-K238 HydrophobicContact CH2-CG 4.06Å; W161-K238 HydrophobicContact CZ2-CB 3.8Å; W161-K238 HydrophobicContact CZ2-CD 4.01Å; W161-K238 HydrophobicContact CZ2-CG 3.54Å; W161-K238 HydrophobicContact CZ3-CB 4.24Å; W161-V241 HydrophobicContact CH2-CB 4.29Å; W161-V241 HydrophobicContact CH2-CG1 4.21Å; W161-V241 HydrophobicContact CZ2-CB 4.34Å; W161-V241 HydrophobicContact CZ2-CG1 4.15Å; W161-E242 HydrophobicContact CZ2-CG 4.39Å; W161-E242 PolarHBondContact NE1-OE1 2.89Å
162	L	90.5	Very high	88.6	Confident	0 Å²	0	59.7 Å²	59.7	0%	0	30%	0.295	C	S	.	.	H	α-helix	trans	-50.4	-45.9	176.8	-76.9	168.9	0	0	0	111.9	T158 G159 T165 I166 L217 I220 L221 L224 I234	T158-L162 PolarHBondContact O-N 3.07Å; G159-L162 PolarHBondContact O-N 3.33Å; L162-T165 WeakPolarHBondContact O-CB 3.3Å; L162-T165 PolarHBondContact O-N 2.83Å; L162-I166 WeakPolarHBondContact O-CB 3.44Å; L162-I166 WeakPolarHBondContact O-CD1 3.42Å; L162-I166 VanDerWaalsContact O-CG1 3.24Å; L162-I166 WeakPolarHBondContact O-CG1 3.42Å; L162-I166 PolarHBondContact O-N 2.8Å; L162-L217 HydrophobicContact CD2-CB 4.4Å; L162-L217 HydrophobicContact CD2-CD2 3.69Å; L162-I220 HydrophobicContact CD1-CG2 4.08Å; L162-I220 HydrophobicContact CD2-CG2 4.19Å; L162-L221 HydrophobicContact CB-CB 4.42Å; L162-L221 HydrophobicContact CB-CD1 4.13Å; L162-L221 HydrophobicContact CD1-CB 4.04Å; L162-L221 HydrophobicContact CD1-CD1 4.02Å; L162-L224 HydrophobicContact CD1-CD2 3.93Å; L162-I234 HydrophobicContact CD1-CD1 4.35Å; L162-I234 HydrophobicContact CD1-CG2 4.29Å; L162-I234 HydrophobicContact CD2-CG2 4.25Å; L162-I234 HydrophobicContact CG-CG2 4.38Å
163	T	91.9	Very high	89.5	Confident	52 Å²	52	55.4 Å²	55.4	32%	0.319	28%	0.275	S	S	.	.	H	α-helix	trans	-60	-48.6	177.9	-54.4	0	0	0	0	111.9	G159 W161 T165 I166 D167	G159-T163 WeakPolarHBondContact O-CB 3.32Å; G159-T163 PolarHBondContact O-N 2.96Å; G159-T163 PolarHBondContact O-OG1 3.41Å; W161-T163 VanDerWaalsContact C-N 3.25Å; W161-T163 PolarHBondContact O-N 3.04Å; T163-T165 VanDerWaalsContact C-N 3.3Å; T163-T165 PolarHBondContact O-N 3.22Å; T163-I166 PolarHBondContact O-N 3.01Å; T163-D167 PolarHBondContact O-N 3.14Å
164	N	94.1	Very high	90.2	Very high	80 Å²	80	56.1 Å²	56.1	43%	0.428	29%	0.286	S	S	.	.	H	α-helix	trans	-64	-35.9	179.3	-62.3	-13.5	0	0	0	112.2	Q160 W161 T168	Q160-N164 PolarHBondContact NE2-OD1 2.84Å; Q160-N164 PolarHBondContact O-N 3.19Å; Q160-N164 VanDerWaalsContact O-N 3.11Å; Q160-N164 PolarHBondContact O-ND2 3.32Å; Q160-N164 PolarHBondContact O-OD1 2.81Å; W161-N164 PolarHBondContact O-N 3.18Å; N164-T168 WeakPolarHBondContact O-CB 3.48Å; N164-T168 PolarHBondContact O-N 3.12Å; N164-T168 PolarHBondContact O-OG1 3.44Å
165	T	91.2	Very high	90.7	Very high	8 Å²	8	56.9 Å²	56.9	5%	0.049	29%	0.29	C	S	.	.	H	α-helix	trans	-67.2	-43.9	177.2	-58.8	0	0	0	0	110.8	W161 L162 T163 T168 L169 L217 V241 I245	W161-T165 HydrophobicContact CZ2-CG2 4.36Å; W161-T165 PolarHBondContact NE1-OG1 2.68Å; W161-T165 WeakPolarHBondContact O-CB 3.43Å; W161-T165 PolarHBondContact O-N 2.86Å; W161-T165 PolarHBondContact O-OG1 3.44Å; L162-T165 WeakPolarHBondContact O-CB 3.3Å; L162-T165 PolarHBondContact O-N 2.83Å; T163-T165 VanDerWaalsContact C-N 3.3Å; T163-T165 PolarHBondContact O-N 3.22Å; T165-T168 PolarHBondContact O-N 2.89Å; T165-L169 HydrophobicContact CG2-CD1 4.44Å; T165-L169 WeakPolarHBondContact O-CG 3.41Å; T165-L169 PolarHBondContact O-N 3.48Å; T165-L217 HydrophobicContact CG2-CD1 3.68Å; T165-V241 HydrophobicContact CG2-CG1 3.62Å; T165-I245 HydrophobicContact CG2-CD1 3.41Å; T165-I245 VanDerWaalsContact CG2-CD1 3.41Å
166	I	92.6	Very high	91.2	Very high	13 Å²	13	56 Å²	56	7%	0.067	29%	0.286	C	S	.	.	H	α-helix	trans	-62.5	-45.8	173.3	-68.7	159.9	0	0	0	111.1	L162 T163 T168 L169 N170 I214 L217 E218 L221	L162-I166 WeakPolarHBondContact O-CB 3.44Å; L162-I166 WeakPolarHBondContact O-CD1 3.42Å; L162-I166 VanDerWaalsContact O-CG1 3.24Å; L162-I166 WeakPolarHBondContact O-CG1 3.42Å; L162-I166 PolarHBondContact O-N 2.8Å; T163-I166 PolarHBondContact O-N 3.01Å; I166-T168 VanDerWaalsContact C-N 3.29Å; I166-T168 PolarHBondContact O-N 3.06Å; I166-L169 PolarHBondContact O-N 2.86Å; I166-N170 WeakPolarHBondContact CG2-ND2 3.49Å; I166-N170 PolarHBondContact O-N 3.19Å; I166-N170 PolarHBondContact O-ND2 2.93Å; I166-I214 HydrophobicContact CG2-CG2 4.31Å; I166-L217 HydrophobicContact CD1-CB 4Å; I166-L217 HydrophobicContact CG1-CB 3.7Å; I166-L217 HydrophobicContact CG1-CD1 4.49Å; I166-E218 HydrophobicContact CD1-CG 3.94Å; I166-E218 HydrophobicContact CG1-CG 4.48Å; I166-E218 HydrophobicContact CG2-CG 4.37Å; I166-L221 HydrophobicContact CD1-CD2 4.09Å
167	D	94.3	Very high	91.5	Very high	102 Å²	102	53.5 Å²	53.5	55%	0.545	27%	0.274	S	S	.	.	H	α-helix	trans	-59.9	-39.3	176.3	-80.1	-21.4	0	0	0	111.7	T163 N170 M171	T163-D167 PolarHBondContact O-N 3.14Å; D167-N170 PolarHBondContact O-N 2.91Å; D167-M171 PolarHBondContact O-N 3.4Å
168	T	92.5	Very high	91.8	Very high	54 Å²	54	50.5 Å²	50.5	33%	0.331	27%	0.267	S	S	.	.	H	α-helix	trans	-66.3	-44.7	178.3	-58.8	0	0	0	0	111.8	N164 T165 I166 M171 Q172 I245	N164-T168 WeakPolarHBondContact O-CB 3.48Å; N164-T168 PolarHBondContact O-N 3.12Å; N164-T168 PolarHBondContact O-OG1 3.44Å; T165-T168 PolarHBondContact O-N 2.89Å; I166-T168 VanDerWaalsContact C-N 3.29Å; I166-T168 PolarHBondContact O-N 3.06Å; T168-M171 PolarHBondContact O-N 3.06Å; T168-Q172 PolarHBondContact O-N 3.27Å; T168-I245 HydrophobicContact CG2-CG2 3.99Å
169	L	91.4	Very high	92	Very high	0 Å²	0	52.8 Å²	52.8	0%	0	28%	0.277	C	S	.	.	H	α-helix	trans	-64	-40.8	175.5	-72.6	163.9	0	0	0	112.2	T165 I166 M171 Q172 V173 H210 H213 I214 L217 Y244 I245	T165-L169 HydrophobicContact CG2-CD1 4.44Å; T165-L169 WeakPolarHBondContact O-CG 3.41Å; T165-L169 PolarHBondContact O-N 3.48Å; I166-L169 PolarHBondContact O-N 2.86Å; L169-M171 VanDerWaalsContact C-N 3.35Å; L169-M171 PolarHBondContact O-N 3.47Å; L169-Q172 PolarHBondContact O-N 3.4Å; L169-V173 WeakPolarHBondContact O-CG2 3.33Å; L169-V173 PolarHBondContact O-N 3.22Å; L169-H210 HydrophobicContact CD2-CB 4.43Å; L169-H210 WeakPolarHBondContact CD2-ND1 3.41Å; L169-H213 HydrophobicContact CD1-CB 4.09Å; L169-I214 HydrophobicContact CB-CD1 3.9Å; L169-I214 HydrophobicContact CB-CG1 3.54Å; L169-I214 HydrophobicContact CD1-CG1 4.13Å; L169-I214 HydrophobicContact CG-CG1 4.45Å; L169-L217 HydrophobicContact CD1-CD1 3.48Å; L169-L217 VanDerWaalsContact CD1-CD1 3.48Å; L169-Y244 HydrophobicContact CD2-CE1 3.88Å; L169-I245 HydrophobicContact CD1-CD1 4.28Å; L169-I245 HydrophobicContact CD2-CD1 4.17Å; L169-I245 HydrophobicContact CD2-CG1 3.75Å; L169-I245 HydrophobicContact CG-CD1 3.98Å; L169-I245 HydrophobicContact CG-CG1 4.12Å
170	N	93.8	Very high	92.2	Very high	64 Å²	64	53.4 Å²	53.4	34%	0.342	28%	0.279	S	S	.	.	H	α-helix	trans	-63	-41.2	175.2	-82.5	-82.4	0	0	0	111.5	I166 D167 Q172 V173 D174	I166-N170 WeakPolarHBondContact CG2-ND2 3.49Å; I166-N170 PolarHBondContact O-N 3.19Å; I166-N170 PolarHBondContact O-ND2 2.93Å; D167-N170 PolarHBondContact O-N 2.91Å; N170-Q172 VanDerWaalsContact C-N 3.33Å; N170-Q172 PolarHBondContact O-N 2.98Å; N170-V173 WeakPolarHBondContact O-CB 3.5Å; N170-V173 PolarHBondContact O-N 2.95Å; N170-D174 PolarHBondContact O-N 3.47Å
171	M	93.2	Very high	92.2	Very high	128 Å²	128	54.9 Å²	54.9	63%	0.631	29%	0.285	S	S	*	.	H	α-helix	trans	-64.8	-34.3	175	-174.8	177.8	61.9	0	0	112.7	D167 T168 L169 Q175	D167-M171 PolarHBondContact O-N 3.4Å; T168-M171 PolarHBondContact O-N 3.06Å; L169-M171 VanDerWaalsContact C-N 3.35Å; L169-M171 PolarHBondContact O-N 3.47Å; M171-Q175 WeakPolarHBondContact O-CB 3.3Å; M171-Q175 PolarHBondContact O-N 2.91Å; M171-Q175 VanDerWaalsContact O-N 3.11Å
172	Q	89.4	Confident	91.9	Very high	30 Å²	30	56.9 Å²	56.9	14%	0.14	30%	0.303	C	S	.	.	H	α-helix	trans	-65.9	-42.9	171	-73.9	178.8	-22.8	0	0	111.4	T168 L169 N170 Q175 F176 H210 I245	T168-Q172 PolarHBondContact O-N 3.27Å; L169-Q172 PolarHBondContact O-N 3.4Å; N170-Q172 VanDerWaalsContact C-N 3.33Å; N170-Q172 PolarHBondContact O-N 2.98Å; Q172-Q175 PolarHBondContact O-N 3.07Å; Q172-F176 HydrophobicContact CB-CE2 4.04Å; Q172-F176 WeakPolarHBondContact O-CD2 3.45Å; Q172-F176 WeakPolarHBondContact O-CG 3.39Å; Q172-F176 PolarHBondContact O-N 3.18Å; Q172-H210 PolarHBondContact OE1-CE1 3.3Å; Q172-H210 PolarHBondContact OE1-ND1 3.18Å; Q172-I245 PolarHBondContact NE2-O 3.08Å
173	V	92.9	Very high	91.7	Very high	7 Å²	7	58 Å²	58	4%	0.042	31%	0.308	C	S	.	.	H	α-helix	trans	-58.8	-52	174.5	168.8	0	0	0	0	111.6	L169 N170 Q175 F176 E177 I207 H210 I214	L169-V173 WeakPolarHBondContact O-CG2 3.33Å; L169-V173 PolarHBondContact O-N 3.22Å; N170-V173 WeakPolarHBondContact O-CB 3.5Å; N170-V173 PolarHBondContact O-N 2.95Å; V173-Q175 VanDerWaalsContact C-N 3.25Å; V173-Q175 PolarHBondContact O-N 2.96Å; V173-F176 PolarHBondContact O-N 3.47Å; V173-E177 HydrophobicContact CG1-CG 4.33Å; V173-E177 WeakPolarHBondContact O-CG 3.39Å; V173-E177 PolarHBondContact O-N 2.92Å; V173-I207 HydrophobicContact CG1-CG2 4.15Å; V173-H210 HydrophobicContact CG2-CB 3.54Å; V173-I214 HydrophobicContact CG2-CD1 4.13Å
174	D	94.7	Very high	91.3	Very high	111 Å²	111	57 Å²	57	59%	0.594	30%	0.304	S	S	*	.	H	α-helix	trans	-55	-42.1	176.5	-82.8	-3.3	0	0	0	111.6	N170 S178	N170-D174 PolarHBondContact O-N 3.47Å; D174-S178 PolarHBondContact O-N 3.16Å; D174-S178 VanDerWaalsContact O-N 3.08Å
175	Q	91.8	Very high	90.8	Very high	115 Å²	115	57.2 Å²	57.2	54%	0.537	31%	0.308	S	S	.	.	H	α-helix	trans	-65.6	-45	178.7	-178.1	55.2	88.2	0	0	111.6	M171 Q172 V173 S178 E179	M171-Q175 WeakPolarHBondContact O-CB 3.3Å; M171-Q175 PolarHBondContact O-N 2.91Å; M171-Q175 VanDerWaalsContact O-N 3.11Å; Q172-Q175 PolarHBondContact O-N 3.07Å; V173-Q175 VanDerWaalsContact C-N 3.25Å; V173-Q175 PolarHBondContact O-N 2.96Å; Q175-S178 PolarHBondContact NE2-OG 2.97Å; Q175-S178 VanDerWaalsContact NE2-OG 3.1Å; Q175-S178 PolarHBondContact O-N 2.93Å; Q175-S178 PolarHBondContact O-OG 2.85Å; Q175-E179 PolarHBondContact O-N 2.8Å; Q175-E179 VanDerWaalsContact O-N 3.12Å
176	F	91.8	Very high	90	Very high	7 Å²	7	60.9 Å²	60.9	3%	0.031	32%	0.324	C	S	.	.	H	α-helix	trans	-70.4	-35.9	177.6	-62.1	-43.8	0	0	0	112.8	Q172 V173 S178 E179 V180 L203 L206 I207 H210 Q249	Q172-F176 HydrophobicContact CB-CE2 4.04Å; Q172-F176 WeakPolarHBondContact O-CD2 3.45Å; Q172-F176 WeakPolarHBondContact O-CG 3.39Å; Q172-F176 PolarHBondContact O-N 3.18Å; V173-F176 PolarHBondContact O-N 3.47Å; F176-S178 VanDerWaalsContact C-N 3.3Å; F176-S178 PolarHBondContact O-N 3.29Å; F176-E179 PolarHBondContact O-N 2.92Å; F176-V180 WeakPolarHBondContact O-CG2 3.4Å; F176-V180 PolarHBondContact O-N 3.3Å; F176-L203 HydrophobicContact CB-CD2 4.21Å; F176-L203 HydrophobicContact CD1-CD2 3.57Å; F176-L203 HydrophobicContact CE1-CD2 4.28Å; F176-L203 HydrophobicContact CG-CD2 4.13Å; F176-L206 HydrophobicContact CD2-CB 4.47Å; F176-I207 HydrophobicContact CB-CD1 3.85Å; F176-I207 HydrophobicContact CB-CG1 3.61Å; F176-H210 AromaticContact CE2-CD2 3.74Å; F176-H210 AromaticContact CE2-NE2 3.48Å; F176-H210 WeakPolarHBondContact CE2-NE2 3.48Å; F176-Q249 HydrophobicContact CE1-CG 4.42Å; F176-Q249 HydrophobicContact CZ-CG 3.91Å
177	E	91.4	Very high	88.9	Confident	79 Å²	79	61.4 Å²	61.4	37%	0.369	33%	0.328	S	S	.	.	H	α-helix	trans	-61.8	-39.4	173.8	-74.8	-161.9	161.8	0	0	111.3	V173 V180 E181 I207 R211	V173-E177 HydrophobicContact CG1-CG 4.33Å; V173-E177 WeakPolarHBondContact O-CG 3.39Å; V173-E177 PolarHBondContact O-N 2.92Å; E177-V180 PolarHBondContact O-N 3.45Å; E177-E181 PolarHBondContact O-N 3.3Å; E177-I207 HydrophobicContact CG-CD1 3.76Å; E177-I207 HydrophobicContact CG-CG1 4.29Å; E177-I207 HydrophobicContact CG-CG2 4.45Å; E177-R211 IonicContact OE1-CZ 3.01Å; E177-R211 IonicContact OE1-NH1 2.69Å; E177-R211 IonicContact OE1-NH2 3.03Å; E177-R211 PolarHBondContact OE1-NH2 3.39Å
178	S	92.9	Very high	87.5	Confident	60 Å²	60	67.1 Å²	67.1	42%	0.42	34%	0.342	S	S	.	.	H	α-helix	trans	-67.8	-33.4	174.1	80.4	0	0	0	0	113.5	D174 Q175 F176 S182	D174-S178 PolarHBondContact O-N 3.16Å; D174-S178 VanDerWaalsContact O-N 3.08Å; Q175-S178 PolarHBondContact NE2-OG 2.97Å; Q175-S178 VanDerWaalsContact NE2-OG 3.1Å; Q175-S178 PolarHBondContact O-N 2.93Å; Q175-S178 PolarHBondContact O-OG 2.85Å; F176-S178 VanDerWaalsContact C-N 3.3Å; F176-S178 PolarHBondContact O-N 3.29Å; S178-S182 WeakPolarHBondContact O-CB 3.22Å; S178-S182 PolarHBondContact O-N 2.91Å
179	E	90.4	Very high	86.2	Confident	58 Å²	58	74 Å²	74	27%	0.271	37%	0.368	S	S	.	.	H	α-helix	trans	-68.4	-42.6	173	-166.2	-177.2	149	0	0	110.6	Q175 F176 S182 L183 R199 L203	Q175-E179 PolarHBondContact O-N 2.8Å; Q175-E179 VanDerWaalsContact O-N 3.12Å; F176-E179 PolarHBondContact O-N 2.92Å; E179-S182 PolarHBondContact O-N 3.28Å; E179-L183 HydrophobicContact CG-CD1 3.95Å; E179-L183 HydrophobicContact CG-CG 4.36Å; E179-L183 WeakPolarHBondContact O-CB 3.33Å; E179-L183 VanDerWaalsContact O-CG 3.3Å; E179-L183 WeakPolarHBondContact O-CG 3.42Å; E179-L183 PolarHBondContact O-N 3.22Å; E179-R199 VanDerWaalsContact CD-NH2 3.34Å; E179-R199 IonicContact OE1-CZ 3.75Å; E179-R199 VanDerWaalsContact OE1-CZ 3.25Å; E179-R199 IonicContact OE1-NE 3.95Å; E179-R199 PolarHBondContact OE1-NE 2.85Å; E179-R199 IonicContact OE1-NH2 3.14Å; E179-R199 PolarHBondContact OE1-NH2 2.92Å; E179-R199 IonicContact OE2-NH2 3.89Å; E179-R199 PolarHBondContact OE2-NH2 2.84Å; E179-L203 HydrophobicContact CB-CD1 4.01Å; E179-L203 HydrophobicContact CG-CD1 3.73Å; E179-L203 WeakPolarHBondContact OE1-CD1 3.46Å
180	V	90.3	Very high	84.6	Confident	25 Å²	25	79.8 Å²	79.8	15%	0.152	39%	0.393	C	S	.	.	H	α-helix	trans	-60.4	-46.9	174.6	166.9	0	0	0	0	111.6	F176 E177 S184 I200 L203 I207	F176-V180 WeakPolarHBondContact O-CG2 3.4Å; F176-V180 PolarHBondContact O-N 3.3Å; E177-V180 PolarHBondContact O-N 3.45Å; V180-S184 VanDerWaalsContact O-CB 3.22Å; V180-S184 WeakPolarHBondContact O-CB 3.49Å; V180-S184 PolarHBondContact O-N 3.43Å; V180-S184 PolarHBondContact O-OG 3.01Å; V180-I200 HydrophobicContact CG1-CG2 4.28Å; V180-L203 HydrophobicContact CG2-CB 3.46Å; V180-L203 VanDerWaalsContact CG2-CB 3.46Å; V180-L203 HydrophobicContact CG2-CD1 3.95Å; V180-L203 HydrophobicContact CG2-CG 4.36Å; V180-I207 HydrophobicContact CG2-CD1 4.07Å
181	E	91.4	Very high	82.6	Confident	137 Å²	137	87.3 Å²	87.3	64%	0.64	42%	0.422	S	S	*	.	H	α-helix	trans	-61.4	-51.1	176.7	-172.3	177.3	-148.1	0	0	110.5	E177 L183 S184 V185	E177-E181 PolarHBondContact O-N 3.3Å; E181-L183 PolarHBondContact O-N 3.48Å; E181-S184 PolarHBondContact O-N 3.16Å; E181-S184 VanDerWaalsContact O-N 3.12Å; E181-S184 PolarHBondContact O-OG 2.82Å; E181-V185 HydrophobicContact CG-CG2 4.49Å; E181-V185 WeakPolarHBondContact O-CG2 3.46Å; E181-V185 PolarHBondContact O-N 3.47Å
182	S	88.4	Confident	80.9	Confident	64 Å²	64	84.2 Å²	84.2	45%	0.448	42%	0.423	S	S	.	.	H	α-helix	trans	-56	-45.2	180	179.9	0	0	0	0	113.1	S178 E179 Q186	S178-S182 WeakPolarHBondContact O-CB 3.22Å; S178-S182 PolarHBondContact O-N 2.91Å; E179-S182 PolarHBondContact O-N 3.28Å; S182-Q186 WeakPolarHBondContact O-CG 3.34Å; S182-Q186 PolarHBondContact O-N 2.98Å; S182-Q186 PolarHBondContact O-NE2 2.71Å; S182-Q186 VanDerWaalsContact O-NE2 3.17Å
183	L	84.5	Confident	80.2	Confident	23 Å²	23	84.1 Å²	84.1	12%	0.12	42%	0.424	C	S	.	.	H	α-helix	trans	-69.4	-41.1	176.1	-70.1	172.9	0	0	0	111.5	E179 E181 V185 Q186 T187 R199 I200 L203	E179-L183 HydrophobicContact CG-CD1 3.95Å; E179-L183 HydrophobicContact CG-CG 4.36Å; E179-L183 WeakPolarHBondContact O-CB 3.33Å; E179-L183 VanDerWaalsContact O-CG 3.3Å; E179-L183 WeakPolarHBondContact O-CG 3.42Å; E179-L183 PolarHBondContact O-N 3.22Å; E181-L183 PolarHBondContact O-N 3.48Å; L183-V185 VanDerWaalsContact C-N 3.33Å; L183-V185 PolarHBondContact O-N 3.49Å; L183-Q186 WeakPolarHBondContact O-CB 3.39Å; L183-Q186 PolarHBondContact O-N 2.92Å; L183-Q186 VanDerWaalsContact O-N 3.11Å; L183-T187 PolarHBondContact O-N 3.44Å; L183-T187 PolarHBondContact O-OG1 3.19Å; L183-R199 HydrophobicContact CD1-CB 4.45Å; L183-R199 HydrophobicContact CD1-CG 3.7Å; L183-I200 HydrophobicContact CB-CD1 3.77Å; L183-I200 HydrophobicContact CB-CG1 3.56Å; L183-I200 HydrophobicContact CD1-CG1 4.16Å; L183-L203 HydrophobicContact CD1-CD1 3.81Å
184	S	83.6	Confident	79.7	Confident	32 Å²	32	90.5 Å²	90.5	22%	0.224	45%	0.451	C	S	.	.	H	α-helix	trans	-62.5	-38.2	-178.7	79.9	0	0	0	0	112.8	V180 E181 Q186 T187 R188	V180-S184 VanDerWaalsContact O-CB 3.22Å; V180-S184 WeakPolarHBondContact O-CB 3.49Å; V180-S184 PolarHBondContact O-N 3.43Å; V180-S184 PolarHBondContact O-OG 3.01Å; E181-S184 PolarHBondContact O-N 3.16Å; E181-S184 VanDerWaalsContact O-N 3.12Å; E181-S184 PolarHBondContact O-OG 2.82Å; S184-Q186 VanDerWaalsContact C-N 3.31Å; S184-Q186 PolarHBondContact O-N 2.8Å; S184-T187 PolarHBondContact O-N 3.11Å; S184-R188 WeakPolarHBondContact O-CG 3.42Å; S184-R188 PolarHBondContact O-N 3.29Å
185	V	84.1	Confident	79.1	Confident	85 Å²	85	93.1 Å²	93.1	52%	0.515	46%	0.459	S	S	.	.	H	α-helix	trans	-64.7	-35.9	176	171.5	0	0	0	0	111.2	E181 L183	E181-V185 HydrophobicContact CG-CG2 4.49Å; E181-V185 WeakPolarHBondContact O-CG2 3.46Å; E181-V185 PolarHBondContact O-N 3.47Å; L183-V185 VanDerWaalsContact C-N 3.33Å; L183-V185 PolarHBondContact O-N 3.49Å
186	Q	75.1	Confident	78.7	Confident	84 Å²	84	90.5 Å²	90.5	39%	0.393	45%	0.446	S	S	.	.	H	α-helix	trans	-69.5	-47	175.1	-65.6	173.1	54.5	0	0	111.6	S182 L183 S184 R188 K189 K190	S182-Q186 WeakPolarHBondContact O-CG 3.34Å; S182-Q186 PolarHBondContact O-N 2.98Å; S182-Q186 PolarHBondContact O-NE2 2.71Å; S182-Q186 VanDerWaalsContact O-NE2 3.17Å; L183-Q186 WeakPolarHBondContact O-CB 3.39Å; L183-Q186 PolarHBondContact O-N 2.92Å; L183-Q186 VanDerWaalsContact O-N 3.11Å; S184-Q186 VanDerWaalsContact C-N 3.31Å; S184-Q186 PolarHBondContact O-N 2.8Å; Q186-R188 VanDerWaalsContact C-N 3.3Å; Q186-R188 PolarHBondContact O-N 3.25Å; Q186-K189 PolarHBondContact O-N 3.16Å; Q186-K189 VanDerWaalsContact O-N 3.07Å; Q186-K190 PolarHBondContact O-N 3.18Å
187	T	68.8	Low	78.4	Confident	24 Å²	24	93.5 Å²	93.5	15%	0.147	46%	0.461	C	S	.	.	H	α-helix	trans	-62.5	-36.1	-179.7	-54.1	0	0	0	0	111.7	L183 S184 K189 K190	L183-T187 PolarHBondContact O-N 3.44Å; L183-T187 PolarHBondContact O-OG1 3.19Å; S184-T187 PolarHBondContact O-N 3.11Å; T187-K189 PolarHBondContact O-N 3.43Å; T187-K190 CarbonylContact O-C 3.6Å; T187-K190 PolarHBondContact O-N 2.9Å; T187-K190 VanDerWaalsContact O-N 3.08Å
188	R	65.3	Low	78.3	Confident	223 Å²	223	93.2 Å²	93.2	84%	0.842	46%	0.462	S	S	*	.	H	α-helix	trans	-60	-26	173.8	-76.3	178.6	-176.7	-167.2	3.8	114.2	S184 Q186	S184-R188 WeakPolarHBondContact O-CG 3.42Å; S184-R188 PolarHBondContact O-N 3.29Å; Q186-R188 VanDerWaalsContact C-N 3.3Å; Q186-R188 PolarHBondContact O-N 3.25Å
189	K	65.2	Low	78	Confident	199 Å²	199	95.4 Å²	95.4	87%	0.865	46%	0.46	S	S	*	.	H	α-helix	trans	-86.6	-15.4	175.3	-90.5	-176.8	174.7	176.6	0	114.3	Q186 T187	Q186-K189 PolarHBondContact O-N 3.16Å; Q186-K189 VanDerWaalsContact O-N 3.07Å; T187-K189 PolarHBondContact O-N 3.43Å
190	K	58.3	Low	77.9	Confident	121 Å²	121	92.9 Å²	92.9	53%	0.526	45%	0.449	S	S	.	.			trans	-141.6	91.8	-175.4	-171.3	-175.4	171	-150.8	0	111.1	Q186 T187 G192 D193	Q186-K190 PolarHBondContact O-N 3.18Å; T187-K190 CarbonylContact O-C 3.6Å; T187-K190 PolarHBondContact O-N 2.9Å; T187-K190 VanDerWaalsContact O-N 3.08Å; K190-G192 VanDerWaalsContact C-N 3.3Å; K190-G192 PolarHBondContact O-N 3.4Å; K190-D193 WeakPolarHBondContact CD-OD1 3.49Å; K190-D193 WeakPolarHBondContact CE-OD1 3.22Å; K190-D193 IonicContact NZ-OD1 2.64Å; K190-D193 PolarHBondContact NZ-OD1 3.27Å; K190-D193 IonicContact NZ-OD2 3.57Å
191	K	51.2	Low	77.8	Confident	222 Å²	222	94.9 Å²	94.9	97%	0.965	46%	0.459	S	S	*	.	T	Hydrogen-bonded Turn	trans	-67.1	80.4	178.2	-171.2	174.2	-177.7	173.8	0	111.5
192	G	56.4	Low	77.7	Confident	63 Å²	63	91.9 Å²	91.9	65%	0.649	45%	0.445	S	S	*	.	T	Hydrogen-bonded Turn	trans	172	-13.2	178.5	0	0	0	0	0	117.4	K190 K194	K190-G192 VanDerWaalsContact C-N 3.3Å; K190-G192 PolarHBondContact O-N 3.4Å; G192-K194 VanDerWaalsContact C-N 3.31Å; G192-K194 PolarHBondContact O-N 3.46Å
193	D	75.3	Confident	77.7	Confident	28 Å²	28	88.9 Å²	88.9	15%	0.15	42%	0.424	C	S	.	.			trans	-78.5	71.7	-178.1	-71.7	0.8	0	0	0	112.1	K190 E195 K196 Q197	K190-D193 WeakPolarHBondContact CD-OD1 3.49Å; K190-D193 WeakPolarHBondContact CE-OD1 3.22Å; K190-D193 IonicContact NZ-OD1 2.64Å; K190-D193 PolarHBondContact NZ-OD1 3.27Å; K190-D193 IonicContact NZ-OD2 3.57Å; D193-E195 VanDerWaalsContact C-N 3.29Å; D193-E195 PolarHBondContact O-N 3.01Å; D193-K196 HydrophobicContact CB-CB 4.14Å; D193-K196 HydrophobicContact CB-CD 3.85Å; D193-K196 HydrophobicContact CB-CG 4.06Å; D193-K196 PolarHBondContact O-N 3.39Å; D193-K196 WeakPolarHBondContact OD2-CE 3.48Å; D193-K196 IonicContact OD2-NZ 2.77Å; D193-K196 PolarHBondContact OD2-NZ 2.94Å; D193-Q197 PolarHBondContact O-N 3.12Å
194	K	83.1	Confident	77.9	Confident	140 Å²	140	92.4 Å²	92.4	61%	0.609	44%	0.438	S	S	*	.	H	α-helix	trans	-56.7	-40.2	179.9	170	158.1	165.4	47.3	0	112.8	G192 K196 Q197 D198	G192-K194 VanDerWaalsContact C-N 3.31Å; G192-K194 PolarHBondContact O-N 3.46Å; K194-K196 PolarHBondContact O-N 3.42Å; K194-Q197 CarbonylContact O-C 3.35Å; K194-Q197 WeakPolarHBondContact O-CA 3.23Å; K194-Q197 WeakPolarHBondContact O-CB 3.35Å; K194-Q197 PolarHBondContact O-N 2.77Å; K194-D198 WeakPolarHBondContact CE-OD2 3.45Å; K194-D198 VanDerWaalsContact CG-OD2 3.3Å; K194-D198 WeakPolarHBondContact CG-OD2 3.47Å; K194-D198 IonicContact NZ-OD1 2.63Å; K194-D198 PolarHBondContact NZ-OD1 2.98Å; K194-D198 IonicContact NZ-OD2 2.75Å; K194-D198 PolarHBondContact NZ-OD2 3.29Å; K194-D198 VanDerWaalsContact O-CG 3.22Å; K194-D198 PolarHBondContact O-N 2.99Å
195	E	82.6	Confident	78.2	Confident	166 Å²	166	96.5 Å²	96.5	78%	0.776	45%	0.448	S	S	*	.	H	α-helix	trans	-53.5	-36.5	174.8	-176	178.6	-158	0	0	113.2	D193 R199	D193-E195 VanDerWaalsContact C-N 3.29Å; D193-E195 PolarHBondContact O-N 3.01Å; E195-R199 PolarHBondContact O-N 3.14Å
196	K	83.3	Confident	78.3	Confident	60 Å²	60	92.8 Å²	92.8	26%	0.261	43%	0.426	S	S	.	.	H	α-helix	trans	-76.2	-31.7	174.7	-66.8	-179.2	-175.8	161.5	0	112.8	D193 K194 I200	D193-K196 HydrophobicContact CB-CB 4.14Å; D193-K196 HydrophobicContact CB-CD 3.85Å; D193-K196 HydrophobicContact CB-CG 4.06Å; D193-K196 PolarHBondContact O-N 3.39Å; D193-K196 WeakPolarHBondContact OD2-CE 3.48Å; D193-K196 IonicContact OD2-NZ 2.77Å; D193-K196 PolarHBondContact OD2-NZ 2.94Å; K194-K196 PolarHBondContact O-N 3.42Å; K196-I200 WeakPolarHBondContact O-CB 3.44Å; K196-I200 WeakPolarHBondContact O-CD1 3.36Å; K196-I200 WeakPolarHBondContact O-CG1 3.42Å; K196-I200 PolarHBondContact O-N 3.17Å
197	Q	85.1	Confident	79	Confident	71 Å²	71	89.2 Å²	89.2	33%	0.332	41%	0.409	S	S	.	.	H	α-helix	trans	-66.3	-44.6	173	-172.9	57	53.1	0	0	110.1	D193 K194 R199 I200 D201	D193-Q197 PolarHBondContact O-N 3.12Å; K194-Q197 CarbonylContact O-C 3.35Å; K194-Q197 WeakPolarHBondContact O-CA 3.23Å; K194-Q197 WeakPolarHBondContact O-CB 3.35Å; K194-Q197 PolarHBondContact O-N 2.77Å; Q197-R199 PolarHBondContact O-N 2.63Å; Q197-I200 WeakPolarHBondContact O-CB 3.39Å; Q197-I200 PolarHBondContact O-N 2.69Å; Q197-I200 VanDerWaalsContact O-N 3.12Å; Q197-D201 VanDerWaalsContact NE2-CG 3.28Å; Q197-D201 PolarHBondContact NE2-OD1 3.22Å; Q197-D201 VanDerWaalsContact NE2-OD1 3.13Å; Q197-D201 PolarHBondContact NE2-OD2 3.42Å; Q197-D201 PolarHBondContact O-N 3.36Å
198	D	88.1	Confident	80.1	Confident	73 Å²	73	93 Å²	93	39%	0.39	43%	0.425	S	S	.	.	H	α-helix	trans	-63.4	-40.1	178.3	-59.1	-19	0	0	0	111.1	K194 D201 E202	K194-D198 WeakPolarHBondContact CE-OD2 3.45Å; K194-D198 VanDerWaalsContact CG-OD2 3.3Å; K194-D198 WeakPolarHBondContact CG-OD2 3.47Å; K194-D198 IonicContact NZ-OD1 2.63Å; K194-D198 PolarHBondContact NZ-OD1 2.98Å; K194-D198 IonicContact NZ-OD2 2.75Å; K194-D198 PolarHBondContact NZ-OD2 3.29Å; K194-D198 VanDerWaalsContact O-CG 3.22Å; K194-D198 PolarHBondContact O-N 2.99Å; D198-D201 PolarHBondContact O-N 3.2Å; D198-E202 PolarHBondContact O-N 3.32Å
199	R	87	Confident	81	Confident	105 Å²	105	83.6 Å²	83.6	40%	0.396	39%	0.39	S	S	.	.	H	α-helix	trans	-64.3	-40.6	170.4	176.9	61.2	176.8	-177	3.4	113.2	E179 L183 E195 Q197 D201 L203	E179-R199 VanDerWaalsContact CD-NH2 3.34Å; E179-R199 IonicContact OE1-CZ 3.75Å; E179-R199 VanDerWaalsContact OE1-CZ 3.25Å; E179-R199 IonicContact OE1-NE 3.95Å; E179-R199 PolarHBondContact OE1-NE 2.85Å; E179-R199 IonicContact OE1-NH2 3.14Å; E179-R199 PolarHBondContact OE1-NH2 2.92Å; E179-R199 IonicContact OE2-NH2 3.89Å; E179-R199 PolarHBondContact OE2-NH2 2.84Å; L183-R199 HydrophobicContact CD1-CB 4.45Å; L183-R199 HydrophobicContact CD1-CG 3.7Å; E195-R199 PolarHBondContact O-N 3.14Å; Q197-R199 PolarHBondContact O-N 2.63Å; R199-D201 VanDerWaalsContact C-N 3.3Å; R199-D201 PolarHBondContact O-N 3.48Å; R199-L203 HydrophobicContact CG-CD1 4.08Å; R199-L203 WeakPolarHBondContact O-CB 3.42Å; R199-L203 WeakPolarHBondContact O-CD1 3.39Å; R199-L203 VanDerWaalsContact O-CG 3.24Å; R199-L203 WeakPolarHBondContact O-CG 3.5Å; R199-L203 PolarHBondContact O-N 2.88Å
200	I	87.9	Confident	82.2	Confident	5 Å²	5	74.1 Å²	74.1	3%	0.026	35%	0.349	C	S	.	.	H	α-helix	trans	-60.4	-42.1	175	-77	162.4	0	0	0	110.8	V180 L183 K196 Q197 L203 K204	V180-I200 HydrophobicContact CG1-CG2 4.28Å; L183-I200 HydrophobicContact CB-CD1 3.77Å; L183-I200 HydrophobicContact CB-CG1 3.56Å; L183-I200 HydrophobicContact CD1-CG1 4.16Å; K196-I200 WeakPolarHBondContact O-CB 3.44Å; K196-I200 WeakPolarHBondContact O-CD1 3.36Å; K196-I200 WeakPolarHBondContact O-CG1 3.42Å; K196-I200 PolarHBondContact O-N 3.17Å; Q197-I200 WeakPolarHBondContact O-CB 3.39Å; Q197-I200 PolarHBondContact O-N 2.69Å; Q197-I200 VanDerWaalsContact O-N 3.12Å; I200-L203 PolarHBondContact O-N 2.75Å; I200-K204 WeakPolarHBondContact O-CG 3.17Å; I200-K204 PolarHBondContact O-N 3.25Å; I200-K204 VanDerWaalsContact O-N 3.13Å
201	D	89.8	Confident	83.7	Confident	68 Å²	68	73 Å²	73	36%	0.364	34%	0.341	S	S	.	.	H	α-helix	trans	-77.5	-30.9	-175.4	-63.8	-33.9	0	0	0	112.1	Q197 D198 R199 K204 R205	Q197-D201 VanDerWaalsContact NE2-CG 3.28Å; Q197-D201 PolarHBondContact NE2-OD1 3.22Å; Q197-D201 VanDerWaalsContact NE2-OD1 3.13Å; Q197-D201 PolarHBondContact NE2-OD2 3.42Å; Q197-D201 PolarHBondContact O-N 3.36Å; D198-D201 PolarHBondContact O-N 3.2Å; R199-D201 VanDerWaalsContact C-N 3.3Å; R199-D201 PolarHBondContact O-N 3.48Å; D201-K204 PolarHBondContact O-N 3Å; D201-K204 IonicContact OD1-NZ 3.55Å; D201-K204 PolarHBondContact OD1-NZ 3.07Å; D201-R205 PolarHBondContact O-N 3.35Å; D201-R205 VanDerWaalsContact O-N 3.16Å
202	E	89.3	Confident	85.6	Confident	74 Å²	74	66.8 Å²	66.8	35%	0.346	31%	0.312	S	S	.	.	H	α-helix	trans	-67.8	-41.2	168.4	-178.5	56.4	-161.1	0	0	112.6	D198 K204 R205 L206	D198-E202 PolarHBondContact O-N 3.32Å; E202-K204 VanDerWaalsContact C-N 3.3Å; E202-K204 PolarHBondContact O-N 3.41Å; E202-R205 VanDerWaalsContact O-CB 3.3Å; E202-R205 WeakPolarHBondContact O-CB 3.28Å; E202-R205 PolarHBondContact O-N 2.91Å; E202-R205 VanDerWaalsContact O-N 3.08Å; E202-R205 IonicContact OE1-CZ 2.69Å; E202-R205 IonicContact OE1-NE 2.99Å; E202-R205 PolarHBondContact OE1-NE 3.36Å; E202-R205 IonicContact OE1-NH2 2.78Å; E202-R205 PolarHBondContact OE1-NH2 3.24Å; E202-R205 IonicContact OE2-CZ 3.14Å; E202-R205 IonicContact OE2-NE 2.75Å; E202-R205 PolarHBondContact OE2-NE 2.86Å; E202-R205 IonicContact OE2-NH2 2.68Å; E202-L206 PolarHBondContact O-N 2.99Å
203	L	88.1	Confident	87.1	Confident	0 Å²	0	64.1 Å²	64.1	0%	0	28%	0.283	C	S	.	.	H	α-helix	trans	-60.7	-38.6	174.4	-73.9	162.9	0	0	0	112.3	F176 E179 V180 L183 R199 I200 R205 L206 I207	F176-L203 HydrophobicContact CB-CD2 4.21Å; F176-L203 HydrophobicContact CD1-CD2 3.57Å; F176-L203 HydrophobicContact CE1-CD2 4.28Å; F176-L203 HydrophobicContact CG-CD2 4.13Å; E179-L203 HydrophobicContact CB-CD1 4.01Å; E179-L203 HydrophobicContact CG-CD1 3.73Å; E179-L203 WeakPolarHBondContact OE1-CD1 3.46Å; V180-L203 HydrophobicContact CG2-CB 3.46Å; V180-L203 VanDerWaalsContact CG2-CB 3.46Å; V180-L203 HydrophobicContact CG2-CD1 3.95Å; V180-L203 HydrophobicContact CG2-CG 4.36Å; L183-L203 HydrophobicContact CD1-CD1 3.81Å; R199-L203 HydrophobicContact CG-CD1 4.08Å; R199-L203 WeakPolarHBondContact O-CB 3.42Å; R199-L203 WeakPolarHBondContact O-CD1 3.39Å; R199-L203 VanDerWaalsContact O-CG 3.24Å; R199-L203 WeakPolarHBondContact O-CG 3.5Å; R199-L203 PolarHBondContact O-N 2.88Å; I200-L203 PolarHBondContact O-N 2.75Å; L203-R205 VanDerWaalsContact C-N 3.32Å; L203-L206 PolarHBondContact O-N 3.35Å; L203-I207 WeakPolarHBondContact O-CD1 3.3Å; L203-I207 VanDerWaalsContact O-CG1 3.29Å; L203-I207 WeakPolarHBondContact O-CG1 3.49Å; L203-I207 PolarHBondContact O-N 2.77Å
204	K	89.4	Confident	87.8	Confident	98 Å²	98	63.4 Å²	63.4	43%	0.426	28%	0.279	S	S	.	.	H	α-helix	trans	-62.7	-39.2	172.7	-69.7	169.7	-167.6	162.9	0	112.2	I200 D201 E202 L206 I207 E208	I200-K204 WeakPolarHBondContact O-CG 3.17Å; I200-K204 PolarHBondContact O-N 3.25Å; I200-K204 VanDerWaalsContact O-N 3.13Å; D201-K204 PolarHBondContact O-N 3Å; D201-K204 IonicContact OD1-NZ 3.55Å; D201-K204 PolarHBondContact OD1-NZ 3.07Å; E202-K204 VanDerWaalsContact C-N 3.3Å; E202-K204 PolarHBondContact O-N 3.41Å; K204-L206 VanDerWaalsContact C-N 3.32Å; K204-I207 PolarHBondContact O-N 3.46Å; K204-E208 PolarHBondContact O-N 3.31Å
205	R	88	Confident	88.2	Confident	117 Å²	117	61.6 Å²	61.6	44%	0.442	27%	0.268	S	S	.	.	H	α-helix	trans	-62	-42.4	176.8	-162.2	-176.4	71.1	82.4	2.3	110.8	D201 E202 L203 R209	D201-R205 PolarHBondContact O-N 3.35Å; D201-R205 VanDerWaalsContact O-N 3.16Å; E202-R205 VanDerWaalsContact O-CB 3.3Å; E202-R205 WeakPolarHBondContact O-CB 3.28Å; E202-R205 PolarHBondContact O-N 2.91Å; E202-R205 VanDerWaalsContact O-N 3.08Å; E202-R205 IonicContact OE1-CZ 2.69Å; E202-R205 IonicContact OE1-NE 2.99Å; E202-R205 PolarHBondContact OE1-NE 3.36Å; E202-R205 IonicContact OE1-NH2 2.78Å; E202-R205 PolarHBondContact OE1-NH2 3.24Å; E202-R205 IonicContact OE2-CZ 3.14Å; E202-R205 IonicContact OE2-NE 2.75Å; E202-R205 PolarHBondContact OE2-NE 2.86Å; E202-R205 IonicContact OE2-NH2 2.68Å; L203-R205 VanDerWaalsContact C-N 3.32Å; R205-R209 WeakPolarHBondContact O-CB 3.16Å; R205-R209 PolarHBondContact O-N 2.95Å; R205-R209 VanDerWaalsContact O-N 3.09Å
206	L	87.4	Confident	88.3	Confident	7 Å²	7	55 Å²	55	4%	0.037	24%	0.238	C	C	.	.	H	α-helix	trans	-63.7	-46.9	172.1	-68.3	172.9	0	0	0	112.1	F176 E202 L203 K204 E208 R209 H210 C248	F176-L206 HydrophobicContact CD2-CB 4.47Å; E202-L206 PolarHBondContact O-N 2.99Å; L203-L206 PolarHBondContact O-N 3.35Å; K204-L206 VanDerWaalsContact C-N 3.32Å; L206-E208 VanDerWaalsContact C-N 3.35Å; L206-E208 PolarHBondContact O-N 3.11Å; L206-R209 PolarHBondContact O-N 3.03Å; L206-H210 PolarHBondContact O-CD2 3.04Å; L206-H210 PolarHBondContact O-N 3.38Å; L206-C248 WeakPolarHBondContact CD2-O 3.45Å
207	I	90.5	Very high	88.7	Confident	10 Å²	10	52.1 Å²	52.1	5%	0.051	23%	0.225	C	C	.	.	H	α-helix	trans	-55.7	-47	177.5	-71.8	156.3	0	0	0	111.8	V173 F176 E177 V180 L203 K204 H210 R211	V173-I207 HydrophobicContact CG1-CG2 4.15Å; F176-I207 HydrophobicContact CB-CD1 3.85Å; F176-I207 HydrophobicContact CB-CG1 3.61Å; E177-I207 HydrophobicContact CG-CD1 3.76Å; E177-I207 HydrophobicContact CG-CG1 4.29Å; E177-I207 HydrophobicContact CG-CG2 4.45Å; V180-I207 HydrophobicContact CG2-CD1 4.07Å; L203-I207 WeakPolarHBondContact O-CD1 3.3Å; L203-I207 VanDerWaalsContact O-CG1 3.29Å; L203-I207 WeakPolarHBondContact O-CG1 3.49Å; L203-I207 PolarHBondContact O-N 2.77Å; K204-I207 PolarHBondContact O-N 3.46Å; I207-H210 PolarHBondContact O-N 2.93Å; I207-R211 WeakPolarHBondContact O-CB 3.32Å; I207-R211 WeakPolarHBondContact O-CG 3.15Å; I207-R211 PolarHBondContact O-N 2.67Å
208	E	90.6	Very high	88.9	Confident	102 Å²	102	53.6 Å²	53.6	48%	0.477	23%	0.232	S	C	.	.	H	α-helix	trans	-69.1	-35.6	-179.3	-163.1	55.9	-139.7	0	0	112	K204 L206 R211 Y212 R215	K204-E208 PolarHBondContact O-N 3.31Å; L206-E208 VanDerWaalsContact C-N 3.35Å; L206-E208 PolarHBondContact O-N 3.11Å; E208-R211 WeakPolarHBondContact O-CB 3.4Å; E208-R211 PolarHBondContact O-N 3.07Å; E208-Y212 PolarHBondContact O-N 3.43Å; E208-R215 IonicContact OE1-NH2 3.06Å
209	R	85.1	Confident	88.7	Confident	27 Å²	27	51.8 Å²	51.8	10%	0.102	22%	0.224	C	C	.	.	H	α-helix	trans	-62.8	-50	171.8	-168.6	-165	-83.2	162.3	-22.8	111.5	R205 L206 R211 Y212 H213 Y244 E255	R205-R209 WeakPolarHBondContact O-CB 3.16Å; R205-R209 PolarHBondContact O-N 2.95Å; R205-R209 VanDerWaalsContact O-N 3.09Å; L206-R209 PolarHBondContact O-N 3.03Å; R209-R211 VanDerWaalsContact C-N 3.26Å; R209-R211 PolarHBondContact O-N 2.81Å; R209-Y212 WeakPolarHBondContact O-CA 3.46Å; R209-Y212 VanDerWaalsContact O-CB 3.31Å; R209-Y212 WeakPolarHBondContact O-CB 3.35Å; R209-Y212 PolarHBondContact O-N 2.88Å; R209-H213 PolarHBondContact O-CD2 3.15Å; R209-H213 PolarHBondContact O-N 2.92Å; R209-Y244 WeakPolarHBondContact CD-OH 3.38Å; R209-Y244 HydrophobicContact CG-CE2 4.37Å; R209-E255 WeakPolarHBondContact CD-OE1 3.48Å; R209-E255 VanDerWaalsContact CG-OE1 3.28Å; R209-E255 WeakPolarHBondContact CG-OE1 3.49Å; R209-E255 IonicContact CZ-OE1 2.82Å; R209-E255 IonicContact CZ-OE2 2.81Å; R209-E255 IonicContact NE-OE1 3.67Å; R209-E255 PolarHBondContact NE-OE1 3.28Å; R209-E255 IonicContact NE-OE2 3.38Å; R209-E255 PolarHBondContact NE-OE2 3.49Å; R209-E255 IonicContact NH2-OE1 3.24Å; R209-E255 IonicContact NH2-OE2 3.68Å; R209-E255 PolarHBondContact NH2-OE2 3.11Å
210	H	89.8	Confident	88.7	Confident	0 Å²	0	46.8 Å²	46.8	0%	0	21%	0.205	C	C	.	.	H	α-helix	trans	-59.8	-37.3	176.4	-71.6	-68.6	0	0	0	111.7	L169 Q172 V173 F176 L206 I207 Y212 H213 I214 Y244	L169-H210 HydrophobicContact CD2-CB 4.43Å; L169-H210 WeakPolarHBondContact CD2-ND1 3.41Å; Q172-H210 PolarHBondContact OE1-CE1 3.3Å; Q172-H210 PolarHBondContact OE1-ND1 3.18Å; V173-H210 HydrophobicContact CG2-CB 3.54Å; F176-H210 AromaticContact CE2-CD2 3.74Å; F176-H210 AromaticContact CE2-NE2 3.48Å; F176-H210 WeakPolarHBondContact CE2-NE2 3.48Å; L206-H210 PolarHBondContact O-CD2 3.04Å; L206-H210 PolarHBondContact O-N 3.38Å; I207-H210 PolarHBondContact O-N 2.93Å; H210-Y212 VanDerWaalsContact C-N 3.33Å; H210-Y212 PolarHBondContact O-N 3.44Å; H210-H213 PolarHBondContact O-N 3.1Å; H210-I214 WeakPolarHBondContact O-CB 3.37Å; H210-I214 WeakPolarHBondContact O-CD1 3.48Å; H210-I214 VanDerWaalsContact O-CG1 3.22Å; H210-I214 WeakPolarHBondContact O-CG1 3.17Å; H210-I214 PolarHBondContact O-N 3.35Å; H210-Y244 AromaticContact CE1-CZ 3.78Å; H210-Y244 PolarHBondContact CE1-OH 2.77Å; H210-Y244 VanDerWaalsContact CE1-OH 3.24Å; H210-Y244 AromaticContact ND1-CE1 3.84Å; H210-Y244 AromaticContact ND1-CZ 3.75Å; H210-Y244 PolarHBondContact ND1-OH 2.71Å
211	R	90.2	Very high	88.7	Confident	98 Å²	98	48.1 Å²	48.1	37%	0.37	21%	0.212	S	C	.	.	H	α-helix	trans	-63.7	-32.8	171.8	-77.1	175.3	167.1	158.2	4.8	113.7	E177 I207 E208 R209 R215	E177-R211 IonicContact OE1-CZ 3.01Å; E177-R211 IonicContact OE1-NH1 2.69Å; E177-R211 IonicContact OE1-NH2 3.03Å; E177-R211 PolarHBondContact OE1-NH2 3.39Å; I207-R211 WeakPolarHBondContact O-CB 3.32Å; I207-R211 WeakPolarHBondContact O-CG 3.15Å; I207-R211 PolarHBondContact O-N 2.67Å; E208-R211 WeakPolarHBondContact O-CB 3.4Å; E208-R211 PolarHBondContact O-N 3.07Å; R209-R211 VanDerWaalsContact C-N 3.26Å; R209-R211 PolarHBondContact O-N 2.81Å; R211-R215 WeakPolarHBondContact O-CB 3.31Å; R211-R215 PolarHBondContact O-N 3.33Å; R211-R215 VanDerWaalsContact O-N 3.15Å
212	Y	89.8	Confident	88.5	Confident	90 Å²	90	49.5 Å²	49.5	35%	0.353	21%	0.212	S	C	.	.	H	α-helix	trans	-65.1	-52.6	169.6	173.7	-90.8	0	0	0	111.1	E208 R209 H210 I214 R215 M216 Y260	E208-Y212 PolarHBondContact O-N 3.43Å; R209-Y212 WeakPolarHBondContact O-CA 3.46Å; R209-Y212 VanDerWaalsContact O-CB 3.31Å; R209-Y212 WeakPolarHBondContact O-CB 3.35Å; R209-Y212 PolarHBondContact O-N 2.88Å; H210-Y212 VanDerWaalsContact C-N 3.33Å; H210-Y212 PolarHBondContact O-N 3.44Å; Y212-I214 VanDerWaalsContact C-N 3.35Å; Y212-I214 PolarHBondContact O-N 2.87Å; Y212-R215 WeakPolarHBondContact O-CB 3.46Å; Y212-R215 PolarHBondContact O-N 2.86Å; Y212-R215 VanDerWaalsContact O-N 3.13Å; Y212-M216 HydrophobicContact CD1-CG 4.19Å; Y212-M216 HydrophobicContact CD2-CG 4.46Å; Y212-M216 HydrophobicContact CE1-CG 3.81Å; Y212-M216 HydrophobicContact CE2-CG 4.1Å; Y212-M216 HydrophobicContact CE2-SD 4.14Å; Y212-M216 HydrophobicContact CG-CG 4.49Å; Y212-M216 WeakPolarHBondContact O-CG 3.25Å; Y212-M216 PolarHBondContact O-N 2.74Å; Y212-Y260 AromaticContact CE1-CD2 3.89Å; Y212-Y260 HydrophobicContact CE1-CD2 3.89Å; Y212-Y260 AromaticContact CE1-CE2 3.94Å; Y212-Y260 HydrophobicContact CE1-CE2 3.94Å
213	H	88.2	Confident	88	Confident	7 Å²	7	47.9 Å²	47.9	3%	0.032	21%	0.205	C	C	.	.	H	α-helix	trans	-61.1	-39.4	178.4	-68.2	-82.9	0	0	0	113	L169 R209 H210 R215 M216 L217 Y244 Y260	L169-H213 HydrophobicContact CD1-CB 4.09Å; R209-H213 PolarHBondContact O-CD2 3.15Å; R209-H213 PolarHBondContact O-N 2.92Å; H210-H213 PolarHBondContact O-N 3.1Å; H213-R215 PolarHBondContact O-N 3.4Å; H213-M216 PolarHBondContact O-N 3.4Å; H213-L217 WeakPolarHBondContact O-CB 3.39Å; H213-L217 VanDerWaalsContact O-CG 3.22Å; H213-L217 WeakPolarHBondContact O-CG 3.35Å; H213-L217 PolarHBondContact O-N 3.08Å; H213-Y244 HydrophobicContact CB-CE1 4Å; H213-Y244 AromaticContact CD2-CD1 3.9Å; H213-Y244 AromaticContact CD2-CE1 3.14Å; H213-Y244 WeakPolarHBondContact CD2-CE1 3.28Å; H213-Y244 AromaticContact CD2-CZ 3.22Å; H213-Y244 PolarHBondContact CD2-OH 2.81Å; H213-Y244 VanDerWaalsContact CD2-OH 3.31Å; H213-Y244 AromaticContact CE1-CD1 3.95Å; H213-Y244 AromaticContact CE1-CE1 3.96Å; H213-Y244 AromaticContact CG-CD1 3.92Å; H213-Y244 AromaticContact CG-CE1 3.44Å; H213-Y244 VanDerWaalsContact CG-CE1 3.44Å; H213-Y244 AromaticContact ND1-CD1 3.94Å; H213-Y244 AromaticContact ND1-CE1 3.92Å; H213-Y244 AromaticContact NE2-CD1 3.94Å; H213-Y244 AromaticContact NE2-CE1 3.53Å; H213-Y244 AromaticContact NE2-CE2 3.7Å; H213-Y244 AromaticContact NE2-CZ 3.4Å; H213-Y260 AromaticContact CE1-CE2 3.99Å; H213-Y260 AromaticContact ND1-CE2 3.4Å; H213-Y260 WeakPolarHBondContact ND1-CE2 3.39Å; H213-Y260 AromaticContact ND1-CZ 3.59Å; H213-Y260 PolarHBondContact ND1-OH 2.8Å
214	I	91.2	Very high	87.9	Confident	13 Å²	13	48 Å²	48	7%	0.067	21%	0.205	C	C	.	.	H	α-helix	trans	-55.1	-53.4	172.3	-72	160.5	0	0	0	110.1	I166 L169 V173 H210 Y212 M216 L217 E218	I166-I214 HydrophobicContact CG2-CG2 4.31Å; L169-I214 HydrophobicContact CB-CD1 3.9Å; L169-I214 HydrophobicContact CB-CG1 3.54Å; L169-I214 HydrophobicContact CD1-CG1 4.13Å; L169-I214 HydrophobicContact CG-CG1 4.45Å; V173-I214 HydrophobicContact CG2-CD1 4.13Å; H210-I214 WeakPolarHBondContact O-CB 3.37Å; H210-I214 WeakPolarHBondContact O-CD1 3.48Å; H210-I214 VanDerWaalsContact O-CG1 3.22Å; H210-I214 WeakPolarHBondContact O-CG1 3.17Å; H210-I214 PolarHBondContact O-N 3.35Å; Y212-I214 VanDerWaalsContact C-N 3.35Å; Y212-I214 PolarHBondContact O-N 2.87Å; I214-M216 VanDerWaalsContact C-N 3.32Å; I214-M216 PolarHBondContact O-N 2.88Å; I214-L217 PolarHBondContact O-N 3.32Å; I214-E218 HydrophobicContact CG2-CG 4.19Å; I214-E218 WeakPolarHBondContact O-CB 3.34Å; I214-E218 VanDerWaalsContact O-CG 3.31Å; I214-E218 WeakPolarHBondContact O-CG 3.45Å; I214-E218 PolarHBondContact O-N 2.94Å
215	R	90.4	Very high	87.6	Confident	103 Å²	103	48.4 Å²	48.4	39%	0.389	21%	0.212	S	C	.	.	H	α-helix	trans	-59.5	-39.8	-179.2	-168.5	-167.7	-51.1	115.1	2.9	112.7	E208 R211 Y212 H213 T219	E208-R215 IonicContact OE1-NH2 3.06Å; R211-R215 WeakPolarHBondContact O-CB 3.31Å; R211-R215 PolarHBondContact O-N 3.33Å; R211-R215 VanDerWaalsContact O-N 3.15Å; Y212-R215 WeakPolarHBondContact O-CB 3.46Å; Y212-R215 PolarHBondContact O-N 2.86Å; Y212-R215 VanDerWaalsContact O-N 3.13Å; H213-R215 PolarHBondContact O-N 3.4Å; R215-T219 WeakPolarHBondContact O-CB 3.33Å; R215-T219 PolarHBondContact O-N 3.38Å; R215-T219 PolarHBondContact O-OG1 2.93Å
216	M	86.1	Confident	87.4	Confident	27 Å²	27	47.8 Å²	47.8	13%	0.133	22%	0.218	C	C	.	.	H	α-helix	trans	-68.3	-45.5	177.5	-62.5	-58.4	-82.9	0	0	111	Y212 H213 I214 T219 I220 Y260 L265	Y212-M216 HydrophobicContact CD1-CG 4.19Å; Y212-M216 HydrophobicContact CD2-CG 4.46Å; Y212-M216 HydrophobicContact CE1-CG 3.81Å; Y212-M216 HydrophobicContact CE2-CG 4.1Å; Y212-M216 HydrophobicContact CE2-SD 4.14Å; Y212-M216 HydrophobicContact CG-CG 4.49Å; Y212-M216 WeakPolarHBondContact O-CG 3.25Å; Y212-M216 PolarHBondContact O-N 2.74Å; H213-M216 PolarHBondContact O-N 3.4Å; I214-M216 VanDerWaalsContact C-N 3.32Å; I214-M216 PolarHBondContact O-N 2.88Å; M216-T219 WeakPolarHBondContact O-CB 3.41Å; M216-T219 PolarHBondContact O-N 2.68Å; M216-I220 WeakPolarHBondContact O-CD1 3.42Å; M216-I220 VanDerWaalsContact O-CG1 3.24Å; M216-I220 WeakPolarHBondContact O-CG1 3.16Å; M216-I220 PolarHBondContact O-N 3.19Å; M216-Y260 HydrophobicContact CB-CD1 4.29Å; M216-Y260 HydrophobicContact CB-CD2 3.8Å; M216-Y260 HydrophobicContact CB-CE1 4.12Å; M216-Y260 HydrophobicContact CB-CE2 3.59Å; M216-Y260 HydrophobicContact CB-CG 4.15Å; M216-Y260 HydrophobicContact CE-CD2 3.87Å; M216-Y260 HydrophobicContact CE-CG 3.85Å; M216-Y260 HydrophobicContact CG-CD2 3.7Å; M216-Y260 HydrophobicContact CG-CE2 3.76Å; M216-Y260 HydrophobicContact CG-CG 4.33Å; M216-L265 HydrophobicContact CE-CB 4.02Å; M216-L265 HydrophobicContact CE-CD1 3.79Å; M216-L265 HydrophobicContact CE-CG 4.47Å
217	L	89.8	Confident	87.1	Confident	0 Å²	0	53.2 Å²	53.2	0%	0	25%	0.247	C	C	.	.	H	α-helix	trans	-68.3	-35.9	178.1	-65.9	167.6	0	0	0	112.8	L162 T165 I166 L169 H213 I214 T219 I220 L221 V241 Y260	L162-L217 HydrophobicContact CD2-CB 4.4Å; L162-L217 HydrophobicContact CD2-CD2 3.69Å; T165-L217 HydrophobicContact CG2-CD1 3.68Å; I166-L217 HydrophobicContact CD1-CB 4Å; I166-L217 HydrophobicContact CG1-CB 3.7Å; I166-L217 HydrophobicContact CG1-CD1 4.49Å; L169-L217 HydrophobicContact CD1-CD1 3.48Å; L169-L217 VanDerWaalsContact CD1-CD1 3.48Å; H213-L217 WeakPolarHBondContact O-CB 3.39Å; H213-L217 VanDerWaalsContact O-CG 3.22Å; H213-L217 WeakPolarHBondContact O-CG 3.35Å; H213-L217 PolarHBondContact O-N 3.08Å; I214-L217 PolarHBondContact O-N 3.32Å; L217-T219 VanDerWaalsContact C-N 3.32Å; L217-I220 PolarHBondContact O-N 3.38Å; L217-L221 VanDerWaalsContact O-CB 3.29Å; L217-L221 WeakPolarHBondContact O-CB 3.42Å; L217-L221 PolarHBondContact O-N 3Å; L217-V241 HydrophobicContact CD1-CG1 4.09Å; L217-V241 HydrophobicContact CD2-CG1 4.25Å; L217-V241 HydrophobicContact CD2-CG2 4.32Å; L217-Y260 HydrophobicContact CD2-CE1 4.34Å
218	E	89.9	Confident	86.3	Confident	102 Å²	102	56.5 Å²	56.5	48%	0.477	27%	0.271	S	S	.	.	H	α-helix	trans	-62.3	-39.4	170.3	-75.6	178.7	148.5	0	0	111.5	I166 I214 L221 R222	I166-E218 HydrophobicContact CD1-CG 3.94Å; I166-E218 HydrophobicContact CG1-CG 4.48Å; I166-E218 HydrophobicContact CG2-CG 4.37Å; I214-E218 HydrophobicContact CG2-CG 4.19Å; I214-E218 WeakPolarHBondContact O-CB 3.34Å; I214-E218 VanDerWaalsContact O-CG 3.31Å; I214-E218 WeakPolarHBondContact O-CG 3.45Å; I214-E218 PolarHBondContact O-N 2.94Å; E218-L221 PolarHBondContact O-N 2.78Å; E218-R222 WeakPolarHBondContact O-CB 3.48Å; E218-R222 PolarHBondContact O-N 2.71Å
219	T	85.1	Confident	85.7	Confident	34 Å²	34	52.3 Å²	52.3	21%	0.209	25%	0.252	C	S	.	.	H	α-helix	trans	-67.2	-45	176	-57.7	0	0	0	0	111	R215 M216 L217 L221 R222 M223 L265 I268	R215-T219 WeakPolarHBondContact O-CB 3.33Å; R215-T219 PolarHBondContact O-N 3.38Å; R215-T219 PolarHBondContact O-OG1 2.93Å; M216-T219 WeakPolarHBondContact O-CB 3.41Å; M216-T219 PolarHBondContact O-N 2.68Å; L217-T219 VanDerWaalsContact C-N 3.32Å; T219-L221 VanDerWaalsContact C-N 3.33Å; T219-L221 PolarHBondContact O-N 3.41Å; T219-R222 WeakPolarHBondContact O-CB 3.47Å; T219-R222 PolarHBondContact O-N 3.31Å; T219-M223 HydrophobicContact CG2-SD 4.15Å; T219-M223 WeakPolarHBondContact O-CG 3.12Å; T219-M223 PolarHBondContact O-N 3Å; T219-L265 HydrophobicContact CG2-CD2 3.68Å; T219-I268 HydrophobicContact CG2-CD1 3.75Å
220	I	86.9	Confident	85.5	Confident	0 Å²	0	54.8 Å²	54.8	0%	0	27%	0.272	C	S	.	.	H	α-helix	trans	-63.1	-39	175.8	-66.6	160.5	0	0	0	111	L162 M216 L217 M223 L224 I234 I237 Y260 L263 L265	L162-I220 HydrophobicContact CD1-CG2 4.08Å; L162-I220 HydrophobicContact CD2-CG2 4.19Å; M216-I220 WeakPolarHBondContact O-CD1 3.42Å; M216-I220 VanDerWaalsContact O-CG1 3.24Å; M216-I220 WeakPolarHBondContact O-CG1 3.16Å; M216-I220 PolarHBondContact O-N 3.19Å; L217-I220 PolarHBondContact O-N 3.38Å; I220-M223 PolarHBondContact O-N 2.92Å; I220-L224 WeakPolarHBondContact O-CB 3.34Å; I220-L224 PolarHBondContact O-N 3.21Å; I220-I234 HydrophobicContact CG2-CD1 3.8Å; I220-I234 HydrophobicContact CG2-CG1 3.84Å; I220-I234 HydrophobicContact CG2-CG2 4.22Å; I220-I237 HydrophobicContact CD1-CD1 3.81Å; I220-Y260 HydrophobicContact CD1-CD1 3.79Å; I220-Y260 HydrophobicContact CD1-CE1 3.9Å; I220-L263 HydrophobicContact CD1-CD1 3.57Å; I220-L263 HydrophobicContact CG1-CD1 3.97Å; I220-L265 HydrophobicContact CD1-CD1 4.03Å; I220-L265 HydrophobicContact CG1-CD1 3.92Å; I220-L265 HydrophobicContact CG1-CD2 4.39Å
221	L	87.3	Confident	85.2	Confident	34 Å²	34	55.8 Å²	55.8	18%	0.178	28%	0.278	C	S	.	.	H	α-helix	trans	-63.1	-43.9	173.8	-178.2	58.8	0	0	0	111.4	L162 I166 L217 E218 T219 M223 L224 D225	L162-L221 HydrophobicContact CB-CB 4.42Å; L162-L221 HydrophobicContact CB-CD1 4.13Å; L162-L221 HydrophobicContact CD1-CB 4.04Å; L162-L221 HydrophobicContact CD1-CD1 4.02Å; I166-L221 HydrophobicContact CD1-CD2 4.09Å; L217-L221 VanDerWaalsContact O-CB 3.29Å; L217-L221 WeakPolarHBondContact O-CB 3.42Å; L217-L221 PolarHBondContact O-N 3Å; E218-L221 PolarHBondContact O-N 2.78Å; T219-L221 VanDerWaalsContact C-N 3.33Å; T219-L221 PolarHBondContact O-N 3.41Å; L221-M223 VanDerWaalsContact C-N 3.32Å; L221-M223 PolarHBondContact O-N 3.12Å; L221-L224 PolarHBondContact O-N 2.88Å; L221-D225 PolarHBondContact O-N 3.31Å
222	R	84.9	Confident	84.8	Confident	97 Å²	97	56.9 Å²	56.9	37%	0.366	29%	0.291	S	S	.	.	H	α-helix	trans	-61.5	-38.4	173.9	-166.9	175.9	88.4	129.5	5	112.1	E218 T219 N226 L934 Q935	E218-R222 WeakPolarHBondContact O-CB 3.48Å; E218-R222 PolarHBondContact O-N 2.71Å; T219-R222 WeakPolarHBondContact O-CB 3.47Å; T219-R222 PolarHBondContact O-N 3.31Å; R222-N226 WeakPolarHBondContact O-CB 3.48Å; R222-N226 VanDerWaalsContact O-CG 3.23Å; R222-N226 PolarHBondContact O-N 2.92Å; R222-N226 VanDerWaalsContact O-N 3.16Å; R222-N226 PolarHBondContact O-ND2 3.31Å; R222-N226 VanDerWaalsContact O-ND2 3.16Å; R222-L934 PolarHBondContact NH1-O 3.35Å; R222-Q935 VanDerWaalsContact CZ-OXT 3.28Å; R222-Q935 PolarHBondContact NH1-OXT 3.43Å; R222-Q935 PolarHBondContact NH2-OXT 3.43Å
223	M	80.1	Confident	84.4	Confident	39 Å²	39	53.4 Å²	53.4	19%	0.192	28%	0.28	C	S	.	.	H	α-helix	trans	-73.3	-35.3	177	-68.5	170.8	89.2	0	0	112.7	T219 I220 L221 N226 D227 S228 V229 L265	T219-M223 HydrophobicContact CG2-SD 4.15Å; T219-M223 WeakPolarHBondContact O-CG 3.12Å; T219-M223 PolarHBondContact O-N 3Å; I220-M223 PolarHBondContact O-N 2.92Å; L221-M223 VanDerWaalsContact C-N 3.32Å; L221-M223 PolarHBondContact O-N 3.12Å; M223-N226 CarbonylContact O-C 3.57Å; M223-N226 PolarHBondContact O-N 3.39Å; M223-D227 PolarHBondContact O-N 2.84Å; M223-S228 WeakPolarHBondContact O-CB 2.9Å; M223-S228 PolarHBondContact O-N 3.42Å; M223-V229 HydrophobicContact CB-CB 4.26Å; M223-V229 HydrophobicContact CB-CG2 3.7Å; M223-V229 HydrophobicContact CE-CG2 3.73Å; M223-V229 HydrophobicContact CG-CG2 4.45Å; M223-V229 PolarHBondContact O-N 2.96Å; M223-V229 HydrophobicContact SD-CG2 4.12Å; M223-L265 HydrophobicContact CE-CD2 4.34Å; M223-L265 HydrophobicContact SD-CD2 3.46Å; M223-L265 WeakPolarHBondContact SD-CD2 3.5Å
224	L	84.7	Confident	84.2	Confident	3 Å²	3	53 Å²	53	2%	0.016	28%	0.279	C	S	.	.	H	α-helix	trans	-65.3	-47.9	173.2	179.8	60.1	0	0	0	110.9	K155 T158 L162 I220 L221 N226 D227 V231 I234	K155-L224 HydrophobicContact CD-CD1 4.36Å; K155-L224 WeakPolarHBondContact CE-O 3.32Å; K155-L224 HydrophobicContact CG-CD1 3.94Å; K155-L224 HydrophobicContact CG-CG 4.14Å; K155-L224 PolarHBondContact NZ-O 3.46Å; T158-L224 HydrophobicContact CG2-CD2 3.94Å; L162-L224 HydrophobicContact CD1-CD2 3.93Å; I220-L224 WeakPolarHBondContact O-CB 3.34Å; I220-L224 PolarHBondContact O-N 3.21Å; L221-L224 PolarHBondContact O-N 2.88Å; L224-N226 VanDerWaalsContact C-N 3.27Å; L224-N226 PolarHBondContact O-N 3.46Å; L224-D227 PolarHBondContact O-N 3.39Å; L224-V231 HydrophobicContact CD1-CG2 4.1Å; L224-I234 HydrophobicContact CB-CD1 3.86Å; L224-I234 HydrophobicContact CD1-CD1 3.82Å; L224-I234 HydrophobicContact CD2-CD1 3.86Å; L224-I234 HydrophobicContact CG-CD1 4.04Å
225	D	83.8	Confident	83.8	Confident	107 Å²	107	56.5 Å²	56.5	57%	0.572	30%	0.295	S	S	*	.	H	α-helix	trans	-55.5	-44.5	175.7	-87.9	-12.4	0	0	0	111.2	K155 L221 D227	K155-D225 PolarHBondContact NZ-O 2.91Å; L221-D225 PolarHBondContact O-N 3.31Å; D225-D227 PolarHBondContact O-N 3.05Å
226	N	84.7	Confident	83.5	Confident	104 Å²	104	58.1 Å²	58.1	56%	0.556	30%	0.304	S	S	*	.	T	Hydrogen-bonded Turn	trans	-75.8	10.6	176.2	-69.4	-25.1	0	0	0	115.1	R222 M223 L224 S228	R222-N226 WeakPolarHBondContact O-CB 3.48Å; R222-N226 VanDerWaalsContact O-CG 3.23Å; R222-N226 PolarHBondContact O-N 2.92Å; R222-N226 VanDerWaalsContact O-N 3.16Å; R222-N226 PolarHBondContact O-ND2 3.31Å; R222-N226 VanDerWaalsContact O-ND2 3.16Å; M223-N226 CarbonylContact O-C 3.57Å; M223-N226 PolarHBondContact O-N 3.39Å; L224-N226 VanDerWaalsContact C-N 3.27Å; L224-N226 PolarHBondContact O-N 3.46Å; N226-S228 PolarHBondContact O-N 2.88Å; N226-S228 PolarHBondContact O-OG 3.21Å
227	D	80.1	Confident	83.5	Confident	121 Å²	121	57.2 Å²	57.2	65%	0.647	30%	0.3	S	S	*	.	T	Hydrogen-bonded Turn	trans	53.7	25.1	-178.7	-70.5	-57.8	0	0	0	114.3	K155 M223 L224 D225	K155-D227 IonicContact NZ-OD1 2.79Å; K155-D227 PolarHBondContact NZ-OD1 3.28Å; K155-D227 IonicContact NZ-OD2 2.63Å; K155-D227 PolarHBondContact NZ-OD2 2.87Å; M223-D227 PolarHBondContact O-N 2.84Å; L224-D227 PolarHBondContact O-N 3.39Å; D225-D227 PolarHBondContact O-N 3.05Å
228	S	74.1	Confident	83.3	Confident	79 Å²	79	59.3 Å²	59.3	55%	0.552	31%	0.309	S	S	*	.			trans	-93	-20.7	-173.8	-54.6	0	0	0	0	113.2	M223 N226	M223-S228 WeakPolarHBondContact O-CB 2.9Å; M223-S228 PolarHBondContact O-N 3.42Å; N226-S228 PolarHBondContact O-N 2.88Å; N226-S228 PolarHBondContact O-OG 3.21Å
229	V	78.6	Confident	83	Confident	14 Å²	14	59.4 Å²	59.4	9%	0.085	31%	0.313	C	S	.	.	S	Bend	trans	-123.9	128.6	174.8	171.6	0	0	0	0	109.1	M223 A233 I234 L263	M223-V229 HydrophobicContact CB-CB 4.26Å; M223-V229 HydrophobicContact CB-CG2 3.7Å; M223-V229 HydrophobicContact CE-CG2 3.73Å; M223-V229 HydrophobicContact CG-CG2 4.45Å; M223-V229 PolarHBondContact O-N 2.96Å; M223-V229 HydrophobicContact SD-CG2 4.12Å; V229-A233 HydrophobicContact CG1-CB 4.15Å; V229-I234 HydrophobicContact CG1-CD1 3.95Å; V229-I234 HydrophobicContact CG1-CG1 3.62Å; V229-L263 HydrophobicContact CG1-CD2 4.3Å
230	P	80.2	Confident	82.9	Confident	79 Å²	79	61.9 Å²	61.9	51%	0.513	33%	0.325	S	S	.	.			trans	-74.3	148.4	178.4	31.2	-34.7	0	0	0	111.6	D232 A233	P230-D232 PolarHBondContact O-N 2.93Å; P230-A233 HydrophobicContact CG-CB 4.04Å; P230-A233 WeakPolarHBondContact O-CB 3.49Å; P230-A233 PolarHBondContact O-N 2.99Å
231	V	83.5	Confident	82.8	Confident	20 Å²	20	61.9 Å²	61.9	12%	0.121	33%	0.325	C	S	.	.	H	α-helix	trans	-55.1	-38.9	177.6	175.1	0	0	0	0	111.8	E154 K155 T158 L224 A233 I234 Q235	E154-V231 HydrophobicContact CB-CG1 4.32Å; E154-V231 HydrophobicContact CG-CG1 4.04Å; K155-V231 HydrophobicContact CB-CG2 4.2Å; T158-V231 HydrophobicContact CG2-CG1 4.48Å; T158-V231 VanDerWaalsContact OG1-CG1 3.29Å; T158-V231 WeakPolarHBondContact OG1-CG1 3.4Å; L224-V231 HydrophobicContact CD1-CG2 4.1Å; V231-A233 PolarHBondContact O-N 3.38Å; V231-A233 VanDerWaalsContact O-N 3.08Å; V231-I234 PolarHBondContact O-N 2.96Å; V231-Q235 VanDerWaalsContact O-CB 3.31Å; V231-Q235 WeakPolarHBondContact O-CB 3.45Å; V231-Q235 PolarHBondContact O-N 3.45Å
232	D	81.6	Confident	82.8	Confident	122 Å²	122	64.2 Å²	64.2	65%	0.652	34%	0.335	S	S	*	.	H	α-helix	trans	-55.4	-22.6	175	-66.6	-70.1	0	0	0	115	P230 K236	P230-D232 PolarHBondContact O-N 2.93Å; D232-K236 VanDerWaalsContact O-CE 3.27Å; D232-K236 WeakPolarHBondContact O-CE 3.38Å; D232-K236 WeakPolarHBondContact O-CG 3.3Å
233	A	81.1	Confident	82.8	Confident	16 Å²	16	66.2 Å²	66.2	13%	0.132	34%	0.344	C	S	.	.	H	α-helix	trans	-87.9	-43.9	177.5	0	0	0	0	0	111.3	V229 P230 V231 Q235 K236 L263	V229-A233 HydrophobicContact CG1-CB 4.15Å; P230-A233 HydrophobicContact CG-CB 4.04Å; P230-A233 WeakPolarHBondContact O-CB 3.49Å; P230-A233 PolarHBondContact O-N 2.99Å; V231-A233 PolarHBondContact O-N 3.38Å; V231-A233 VanDerWaalsContact O-N 3.08Å; A233-Q235 VanDerWaalsContact C-N 3.3Å; A233-Q235 PolarHBondContact O-N 3.05Å; A233-K236 WeakPolarHBondContact O-CB 3.32Å; A233-K236 PolarHBondContact O-N 2.97Å; A233-K236 VanDerWaalsContact O-N 3.16Å; A233-L263 HydrophobicContact CB-CD2 3.64Å
234	I	83.9	Confident	83.1	Confident	0 Å²	0	64.7 Å²	64.7	0%	0	34%	0.336	C	S	.	.	H	α-helix	trans	-65.1	-37	177.6	-52.1	175.6	0	0	0	110.6	T158 W161 L162 I220 L224 V229 V231 K236 I237 K238	T158-I234 HydrophobicContact CG2-CB 3.93Å; T158-I234 HydrophobicContact CG2-CD1 4.14Å; T158-I234 HydrophobicContact CG2-CG2 3.59Å; W161-I234 HydrophobicContact CE3-CG2 4.3Å; W161-I234 HydrophobicContact CZ3-CG2 3.77Å; L162-I234 HydrophobicContact CD1-CD1 4.35Å; L162-I234 HydrophobicContact CD1-CG2 4.29Å; L162-I234 HydrophobicContact CD2-CG2 4.25Å; L162-I234 HydrophobicContact CG-CG2 4.38Å; I220-I234 HydrophobicContact CG2-CD1 3.8Å; I220-I234 HydrophobicContact CG2-CG1 3.84Å; I220-I234 HydrophobicContact CG2-CG2 4.22Å; L224-I234 HydrophobicContact CB-CD1 3.86Å; L224-I234 HydrophobicContact CD1-CD1 3.82Å; L224-I234 HydrophobicContact CD2-CD1 3.86Å; L224-I234 HydrophobicContact CG-CD1 4.04Å; V229-I234 HydrophobicContact CG1-CD1 3.95Å; V229-I234 HydrophobicContact CG1-CG1 3.62Å; V231-I234 PolarHBondContact O-N 2.96Å; I234-K236 PolarHBondContact O-N 3.07Å; I234-I237 VanDerWaalsContact O-CG1 3.28Å; I234-I237 WeakPolarHBondContact O-CG1 3.15Å; I234-I237 PolarHBondContact O-N 2.9Å; I234-K238 PolarHBondContact O-N 2.75Å
235	Q	83.2	Confident	83.1	Confident	85 Å²	85	65.2 Å²	65.2	40%	0.397	34%	0.339	S	S	.	.	H	α-helix	trans	-70.5	-6.1	178	-173	49.4	72.5	0	0	113.7	V231 A233	V231-Q235 VanDerWaalsContact O-CB 3.31Å; V231-Q235 WeakPolarHBondContact O-CB 3.45Å; V231-Q235 PolarHBondContact O-N 3.45Å; A233-Q235 VanDerWaalsContact C-N 3.3Å; A233-Q235 PolarHBondContact O-N 3.05Å
236	K	84.9	Confident	83	Confident	137 Å²	137	66.7 Å²	66.7	60%	0.596	35%	0.346	S	S	*	.	H	α-helix	trans	-85.5	-54.4	169.2	-64.6	166.1	-171.8	170.3	0	111.6	D232 A233 I234 K238	D232-K236 VanDerWaalsContact O-CE 3.27Å; D232-K236 WeakPolarHBondContact O-CE 3.38Å; D232-K236 WeakPolarHBondContact O-CG 3.3Å; A233-K236 WeakPolarHBondContact O-CB 3.32Å; A233-K236 PolarHBondContact O-N 2.97Å; A233-K236 VanDerWaalsContact O-N 3.16Å; I234-K236 PolarHBondContact O-N 3.07Å; K236-K238 PolarHBondContact O-N 2.88Å; K236-K238 VanDerWaalsContact O-N 3.13Å
237	I	85.5	Confident	82.9	Confident	8 Å²	8	62.7 Å²	62.7	4%	0.041	33%	0.327	C	S	.	.	H	α-helix	trans	-66.2	-14.9	-180	63.4	150.1	0	0	0	112.9	I220 I234 D239 D240 V241 L259 Y260 L263	I220-I237 HydrophobicContact CD1-CD1 3.81Å; I234-I237 VanDerWaalsContact O-CG1 3.28Å; I234-I237 WeakPolarHBondContact O-CG1 3.15Å; I234-I237 PolarHBondContact O-N 2.9Å; I237-D239 PolarHBondContact O-N 3.39Å; I237-D240 PolarHBondContact O-N 3.25Å; I237-V241 HydrophobicContact CD1-CG2 4.31Å; I237-V241 WeakPolarHBondContact O-CB 3.31Å; I237-V241 VanDerWaalsContact O-CG2 3.26Å; I237-V241 WeakPolarHBondContact O-CG2 3.23Å; I237-V241 PolarHBondContact O-N 2.94Å; I237-L259 HydrophobicContact CB-CD1 4.43Å; I237-L259 WeakPolarHBondContact CG2-O 3.37Å; I237-Y260 HydrophobicContact CD1-CD1 4.09Å; I237-Y260 HydrophobicContact CD1-CE1 3.91Å; I237-L263 HydrophobicContact CD1-CD1 3.67Å; I237-L263 HydrophobicContact CG1-CD1 4.22Å; I237-L263 HydrophobicContact CG2-CD1 4.21Å; I237-L263 HydrophobicContact CG2-CG 4.49Å
238	K	84.4	Confident	82.8	Confident	45 Å²	45	57.2 Å²	57.2	20%	0.196	30%	0.297	C	S	.	.	H	α-helix	trans	-56.2	-51.9	-176.3	164.1	159.5	174.7	168.2	0	113.2	W161 I234 K236 D240 V241 E242	W161-K238 HydrophobicContact CD2-CD 3.82Å; W161-K238 HydrophobicContact CD2-CG 4.31Å; W161-K238 HydrophobicContact CE3-CD 4.31Å; W161-K238 HydrophobicContact CG-CD 4.2Å; W161-K238 HydrophobicContact CH2-CB 3.79Å; W161-K238 HydrophobicContact CH2-CG 4.06Å; W161-K238 HydrophobicContact CZ2-CB 3.8Å; W161-K238 HydrophobicContact CZ2-CD 4.01Å; W161-K238 HydrophobicContact CZ2-CG 3.54Å; W161-K238 HydrophobicContact CZ3-CB 4.24Å; I234-K238 PolarHBondContact O-N 2.75Å; K236-K238 PolarHBondContact O-N 2.88Å; K236-K238 VanDerWaalsContact O-N 3.13Å; K238-D240 VanDerWaalsContact C-N 3.26Å; K238-D240 PolarHBondContact O-N 3.13Å; K238-V241 PolarHBondContact O-N 3.37Å; K238-E242 WeakPolarHBondContact CE-OE1 3.43Å; K238-E242 IonicContact NZ-OE1 3.87Å; K238-E242 WeakPolarHBondContact O-CG 3.31Å; K238-E242 PolarHBondContact O-N 3.37Å
239	D	84.6	Confident	82.8	Confident	103 Å²	103	58.8 Å²	58.8	55%	0.551	30%	0.296	S	S	*	.	H	α-helix	trans	-66.6	-34.3	-174.9	-65.6	7.1	0	0	0	110.3	I237 Y243	I237-D239 PolarHBondContact O-N 3.39Å; D239-Y243 WeakPolarHBondContact O-CB 3.23Å; D239-Y243 PolarHBondContact O-N 3.5Å
240	D	83.1	Confident	82.7	Confident	86 Å²	86	62.2 Å²	62.2	46%	0.46	31%	0.314	S	S	.	.	H	α-helix	trans	-73.3	-35.1	175.7	-61.2	-44.8	0	0	0	112.9	I237 K238 Y243 Y244 L259	I237-D240 PolarHBondContact O-N 3.25Å; K238-D240 VanDerWaalsContact C-N 3.26Å; K238-D240 PolarHBondContact O-N 3.13Å; D240-Y243 PolarHBondContact O-N 2.97Å; D240-Y244 WeakPolarHBondContact O-CB 3.16Å; D240-Y244 PolarHBondContact O-N 3.36Å; D240-L259 HydrophobicContact CB-CD1 3.42Å; D240-L259 VanDerWaalsContact CB-CD1 3.42Å
241	V	85.4	Confident	81.9	Confident	0 Å²	0	64.6 Å²	64.6	0%	0	33%	0.329	C	S	.	.	H	α-helix	trans	-69	-39.2	172.7	167.7	0	0	0	0	111.4	W161 T165 L217 I237 K238 Y244 I245 L259 Y260	W161-V241 HydrophobicContact CH2-CB 4.29Å; W161-V241 HydrophobicContact CH2-CG1 4.21Å; W161-V241 HydrophobicContact CZ2-CB 4.34Å; W161-V241 HydrophobicContact CZ2-CG1 4.15Å; T165-V241 HydrophobicContact CG2-CG1 3.62Å; L217-V241 HydrophobicContact CD1-CG1 4.09Å; L217-V241 HydrophobicContact CD2-CG1 4.25Å; L217-V241 HydrophobicContact CD2-CG2 4.32Å; I237-V241 HydrophobicContact CD1-CG2 4.31Å; I237-V241 WeakPolarHBondContact O-CB 3.31Å; I237-V241 VanDerWaalsContact O-CG2 3.26Å; I237-V241 WeakPolarHBondContact O-CG2 3.23Å; I237-V241 PolarHBondContact O-N 2.94Å; K238-V241 PolarHBondContact O-N 3.37Å; V241-Y244 PolarHBondContact O-N 2.89Å; V241-I245 HydrophobicContact CG1-CD1 4.19Å; V241-I245 WeakPolarHBondContact O-CG1 3.39Å; V241-I245 PolarHBondContact O-N 3.44Å; V241-I245 VanDerWaalsContact O-N 3.09Å; V241-L259 HydrophobicContact CG2-CD1 4.33Å; V241-L259 HydrophobicContact CG2-CD2 3.94Å; V241-L259 HydrophobicContact CG2-CG 4.38Å; V241-Y260 HydrophobicContact CG2-CE1 4.17Å
242	E	85.9	Confident	80.7	Confident	84 Å²	84	71.2 Å²	71.2	39%	0.393	36%	0.364	S	S	.	.	H	α-helix	trans	-65.5	-42.9	172.9	-72.6	-176.7	-177.2	0	0	110.8	W161 K238 Y244 I245 D246	W161-E242 HydrophobicContact CZ2-CG 4.39Å; W161-E242 PolarHBondContact NE1-OE1 2.89Å; K238-E242 WeakPolarHBondContact CE-OE1 3.43Å; K238-E242 IonicContact NZ-OE1 3.87Å; K238-E242 WeakPolarHBondContact O-CG 3.31Å; K238-E242 PolarHBondContact O-N 3.37Å; E242-Y244 PolarHBondContact O-N 3.42Å; E242-I245 PolarHBondContact O-N 3.36Å; E242-D246 PolarHBondContact O-N 2.88Å; E242-D246 VanDerWaalsContact O-N 3.13Å
243	Y	85.3	Confident	80.3	Confident	139 Å²	139	66.9 Å²	66.9	55%	0.545	34%	0.34	S	S	.	.	H	α-helix	trans	-60.4	-41	173.7	-178.5	-114.6	0	0	0	113	D239 D240 S247 F253	D239-Y243 WeakPolarHBondContact O-CB 3.23Å; D239-Y243 PolarHBondContact O-N 3.5Å; D240-Y243 PolarHBondContact O-N 2.97Å; Y243-S247 PolarHBondContact O-N 3.03Å; Y243-F253 HydrophobicContact CD1-CE2 4.05Å; Y243-F253 HydrophobicContact CE1-CD2 4.31Å; Y243-F253 AromaticContact CE1-CE2 3.73Å; Y243-F253 HydrophobicContact CE1-CE2 3.73Å
244	Y	86.3	Confident	79.3	Confident	6 Å²	6	74.8 Å²	74.8	2%	0.024	37%	0.374	C	S	.	.	H	α-helix	trans	-60	-45.8	172.6	166	-109.9	0	0	0	112.1	L169 R209 H210 H213 D240 V241 E242 D246 C248 F253	L169-Y244 HydrophobicContact CD2-CE1 3.88Å; R209-Y244 WeakPolarHBondContact CD-OH 3.38Å; R209-Y244 HydrophobicContact CG-CE2 4.37Å; H210-Y244 AromaticContact CE1-CZ 3.78Å; H210-Y244 PolarHBondContact CE1-OH 2.77Å; H210-Y244 VanDerWaalsContact CE1-OH 3.24Å; H210-Y244 AromaticContact ND1-CE1 3.84Å; H210-Y244 AromaticContact ND1-CZ 3.75Å; H210-Y244 PolarHBondContact ND1-OH 2.71Å; H213-Y244 HydrophobicContact CB-CE1 4Å; H213-Y244 AromaticContact CD2-CD1 3.9Å; H213-Y244 AromaticContact CD2-CE1 3.14Å; H213-Y244 WeakPolarHBondContact CD2-CE1 3.28Å; H213-Y244 AromaticContact CD2-CZ 3.22Å; H213-Y244 PolarHBondContact CD2-OH 2.81Å; H213-Y244 VanDerWaalsContact CD2-OH 3.31Å; H213-Y244 AromaticContact CE1-CD1 3.95Å; H213-Y244 AromaticContact CE1-CE1 3.96Å; H213-Y244 AromaticContact CG-CD1 3.92Å; H213-Y244 AromaticContact CG-CE1 3.44Å; H213-Y244 VanDerWaalsContact CG-CE1 3.44Å; H213-Y244 AromaticContact ND1-CD1 3.94Å; H213-Y244 AromaticContact ND1-CE1 3.92Å; H213-Y244 AromaticContact NE2-CD1 3.94Å; H213-Y244 AromaticContact NE2-CE1 3.53Å; H213-Y244 AromaticContact NE2-CE2 3.7Å; H213-Y244 AromaticContact NE2-CZ 3.4Å; D240-Y244 WeakPolarHBondContact O-CB 3.16Å; D240-Y244 PolarHBondContact O-N 3.36Å; V241-Y244 PolarHBondContact O-N 2.89Å; E242-Y244 PolarHBondContact O-N 3.42Å; Y244-D246 VanDerWaalsContact C-N 3.34Å; Y244-D246 PolarHBondContact O-N 3.23Å; Y244-C248 HydrophobicContact CD2-CB 4.14Å; Y244-C248 HydrophobicContact CE2-CB 3.73Å; Y244-C248 WeakPolarHBondContact O-CA 3.48Å; Y244-C248 WeakPolarHBondContact O-CB 3.47Å; Y244-C248 PolarHBondContact O-N 2.94Å; Y244-F253 AromaticContact CD2-CE1 3.87Å; Y244-F253 HydrophobicContact CD2-CE1 3.87Å; Y244-F253 AromaticContact CD2-CZ 3.82Å; Y244-F253 HydrophobicContact CD2-CZ 3.82Å; Y244-F253 HydrophobicContact CE2-CE1 4.45Å
245	I	84.4	Confident	78.1	Confident	15 Å²	15	78.6 Å²	78.6	8%	0.077	39%	0.392	C	S	.	.	H	α-helix	trans	-64	-39.2	-177.1	-74.9	167.4	0	0	0	112.2	T165 T168 L169 Q172 V241 E242 C248	T165-I245 HydrophobicContact CG2-CD1 3.41Å; T165-I245 VanDerWaalsContact CG2-CD1 3.41Å; T168-I245 HydrophobicContact CG2-CG2 3.99Å; L169-I245 HydrophobicContact CD1-CD1 4.28Å; L169-I245 HydrophobicContact CD2-CD1 4.17Å; L169-I245 HydrophobicContact CD2-CG1 3.75Å; L169-I245 HydrophobicContact CG-CD1 3.98Å; L169-I245 HydrophobicContact CG-CG1 4.12Å; Q172-I245 PolarHBondContact NE2-O 3.08Å; V241-I245 HydrophobicContact CG1-CD1 4.19Å; V241-I245 WeakPolarHBondContact O-CG1 3.39Å; V241-I245 PolarHBondContact O-N 3.44Å; V241-I245 VanDerWaalsContact O-N 3.09Å; E242-I245 PolarHBondContact O-N 3.36Å; I245-C248 PolarHBondContact O-SG 3.43Å
246	D	82.9	Confident	77.3	Confident	138 Å²	138	79 Å²	79	74%	0.738	40%	0.396	S	S	*	.	H	α-helix	trans	-76	-41.3	179.8	-83.3	-7.5	0	0	0	112.7	E242 Y244	E242-D246 PolarHBondContact O-N 2.88Å; E242-D246 VanDerWaalsContact O-N 3.13Å; Y244-D246 VanDerWaalsContact C-N 3.34Å; Y244-D246 PolarHBondContact O-N 3.23Å
247	S	82.4	Confident	76.4	Confident	20 Å²	20	80 Å²	80	14%	0.14	40%	0.403	C	S	.	.	H	α-helix	trans	-102.9	4.3	-175	-84.2	0	0	0	0	116	Y243 Q249 D250 F253	Y243-S247 PolarHBondContact O-N 3.03Å; S247-Q249 PolarHBondContact O-N 3.31Å; S247-D250 WeakPolarHBondContact CA-OD2 3.32Å; S247-D250 VanDerWaalsContact CB-OD2 3.27Å; S247-D250 WeakPolarHBondContact CB-OD2 3.22Å; S247-D250 WeakPolarHBondContact O-CB 3.34Å; S247-D250 PolarHBondContact O-N 3.12Å; S247-D250 PolarHBondContact OG-OD2 2.97Å; S247-F253 WeakPolarHBondContact O-CB 3.43Å; S247-F253 WeakPolarHBondContact O-CG 3.45Å
248	C	78.6	Confident	75.3	Confident	5 Å²	5	86.1 Å²	86.1	3%	0.034	43%	0.43	C	S	.	.	T	Hydrogen-bonded Turn	trans	-53.6	-19.4	177	57.3	0	0	0	0	115.8	L206 Y244 I245	L206-C248 WeakPolarHBondContact CD2-O 3.45Å; Y244-C248 HydrophobicContact CD2-CB 4.14Å; Y244-C248 HydrophobicContact CE2-CB 3.73Å; Y244-C248 WeakPolarHBondContact O-CA 3.48Å; Y244-C248 WeakPolarHBondContact O-CB 3.47Å; Y244-C248 PolarHBondContact O-N 2.94Å; I245-C248 PolarHBondContact O-SG 3.43Å
249	Q	73.1	Confident	74.9	Confident	113 Å²	113	84.6 Å²	84.6	53%	0.528	42%	0.424	S	S	.	.	T	Hydrogen-bonded Turn	trans	-101.8	-4.1	-179.8	-71.1	172.1	88.4	0	0	113.9	F176 S247	F176-Q249 HydrophobicContact CE1-CG 4.42Å; F176-Q249 HydrophobicContact CZ-CG 3.91Å; S247-Q249 PolarHBondContact O-N 3.31Å
250	D	77.4	Confident	74.5	Confident	86 Å²	86	79.9 Å²	79.9	46%	0.46	40%	0.398	S	S	.	.			trans	-75.8	131.1	179.7	-74.8	-44.7	0	0	0	111	S247 D252 F253	S247-D250 WeakPolarHBondContact CA-OD2 3.32Å; S247-D250 VanDerWaalsContact CB-OD2 3.27Å; S247-D250 WeakPolarHBondContact CB-OD2 3.22Å; S247-D250 WeakPolarHBondContact O-CB 3.34Å; S247-D250 PolarHBondContact O-N 3.12Å; S247-D250 PolarHBondContact OG-OD2 2.97Å; D250-D252 PolarHBondContact O-N 3.49Å; D250-D252 VanDerWaalsContact O-N 3.15Å; D250-F253 HydrophobicContact CB-CB 4.29Å; D250-F253 VanDerWaalsContact O-CB 3.3Å; D250-F253 WeakPolarHBondContact O-CB 3.41Å; D250-F253 PolarHBondContact O-N 3.47Å; D250-F253 VanDerWaalsContact O-N 3.12Å
251	P	62.8	Low	73.9	Confident	128 Å²	128	80.1 Å²	80.1	83%	0.831	40%	0.399	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.6	-22.6	-177	-25.7	35.3	0	0	0	115.5
252	D	57.6	Low	72.8	Confident	159 Å²	159	87 Å²	87	85%	0.85	44%	0.436	S	S	*	.	T	Hydrogen-bonded Turn	trans	-100.2	13.4	-179.4	-59.5	-49.1	0	0	0	112.3	D250 E254	D250-D252 PolarHBondContact O-N 3.49Å; D250-D252 VanDerWaalsContact O-N 3.15Å; D252-E254 PolarHBondContact O-N 3.09Å
253	F	73.7	Confident	71.8	Confident	32 Å²	32	83.7 Å²	83.7	14%	0.14	42%	0.421	C	S	.	.			trans	-75.3	106.2	-179.2	-177.8	-97.8	0	0	0	112.3	Y243 Y244 S247 D250 E255	Y243-F253 HydrophobicContact CD1-CE2 4.05Å; Y243-F253 HydrophobicContact CE1-CD2 4.31Å; Y243-F253 AromaticContact CE1-CE2 3.73Å; Y243-F253 HydrophobicContact CE1-CE2 3.73Å; Y244-F253 AromaticContact CD2-CE1 3.87Å; Y244-F253 HydrophobicContact CD2-CE1 3.87Å; Y244-F253 AromaticContact CD2-CZ 3.82Å; Y244-F253 HydrophobicContact CD2-CZ 3.82Å; Y244-F253 HydrophobicContact CE2-CE1 4.45Å; S247-F253 WeakPolarHBondContact O-CB 3.43Å; S247-F253 WeakPolarHBondContact O-CG 3.45Å; D250-F253 HydrophobicContact CB-CB 4.29Å; D250-F253 VanDerWaalsContact O-CB 3.3Å; D250-F253 WeakPolarHBondContact O-CB 3.41Å; D250-F253 PolarHBondContact O-N 3.47Å; D250-F253 VanDerWaalsContact O-N 3.12Å; F253-E255 HydrophobicContact CE1-CB 4.15Å
254	E	59.4	Low	70.4	Confident	181 Å²	181	84 Å²	84	85%	0.846	43%	0.432	S	S	*	.			trans	-78.1	119.8	166.4	-67.8	-172.8	164.1	0	0	110	D252	D252-E254 PolarHBondContact O-N 3.09Å
255	E	59.3	Low	69.1	Low	81 Å²	81	84.9 Å²	84.9	38%	0.379	44%	0.437	S	S	.	.			trans	-78.1	124.4	180	172.5	173.1	-142	0	0	110.9	R209 F253 E257	R209-E255 WeakPolarHBondContact CD-OE1 3.48Å; R209-E255 VanDerWaalsContact CG-OE1 3.28Å; R209-E255 WeakPolarHBondContact CG-OE1 3.49Å; R209-E255 IonicContact CZ-OE1 2.82Å; R209-E255 IonicContact CZ-OE2 2.81Å; R209-E255 IonicContact NE-OE1 3.67Å; R209-E255 PolarHBondContact NE-OE1 3.28Å; R209-E255 IonicContact NE-OE2 3.38Å; R209-E255 PolarHBondContact NE-OE2 3.49Å; R209-E255 IonicContact NH2-OE1 3.24Å; R209-E255 IonicContact NH2-OE2 3.68Å; R209-E255 PolarHBondContact NH2-OE2 3.11Å; F253-E255 HydrophobicContact CE1-CB 4.15Å; E255-E257 PolarHBondContact O-N 3.2Å
256	N	67.3	Low	67.6	Low	92 Å²	92	93 Å²	93	49%	0.492	48%	0.475	S	S	.	.			trans	-78.3	89.5	173	-172.9	47.1	0	0	0	110.2	F258 L259	N256-F258 PolarHBondContact O-N 3.45Å; N256-F258 VanDerWaalsContact O-N 3.13Å; N256-L259 VanDerWaalsContact O-CB 3.31Å; N256-L259 WeakPolarHBondContact O-CB 3.34Å; N256-L259 PolarHBondContact O-N 3.32Å; N256-L259 VanDerWaalsContact O-N 3.13Å
257	E	64.3	Low	65.8	Low	159 Å²	159	93.9 Å²	93.9	74%	0.743	48%	0.479	S	S	*	.	T	Hydrogen-bonded Turn	trans	-55.5	-29.6	-179	-164.1	166	-156.7	0	0	112.6	E255 L259	E255-E257 PolarHBondContact O-N 3.2Å; E257-L259 VanDerWaalsContact C-N 3.3Å; E257-L259 PolarHBondContact O-N 2.98Å
258	F	63.3	Low	64.1	Low	136 Å²	136	96.3 Å²	96.3	60%	0.596	49%	0.49	S	S	*	.	T	Hydrogen-bonded Turn	trans	-83.4	13.2	-179.6	-58.2	-86.7	0	0	0	115	N256 Y260 D261	N256-F258 PolarHBondContact O-N 3.45Å; N256-F258 VanDerWaalsContact O-N 3.13Å; F258-Y260 PolarHBondContact O-N 3.43Å; F258-Y260 VanDerWaalsContact O-N 3.13Å; F258-D261 WeakPolarHBondContact CA-OD1 3.46Å; F258-D261 WeakPolarHBondContact CD1-OD2 3.24Å; F258-D261 PolarHBondContact O-N 3.13Å
259	L	75.7	Confident	62.3	Low	13 Å²	13	100.3 Å²	100.3	7%	0.068	52%	0.516	C	S	.	.	T	Hydrogen-bonded Turn	trans	-58.5	-26.7	-172.3	177	60.4	0	0	0	114.5	I237 D240 V241 N256 E257	I237-L259 HydrophobicContact CB-CD1 4.43Å; I237-L259 WeakPolarHBondContact CG2-O 3.37Å; D240-L259 HydrophobicContact CB-CD1 3.42Å; D240-L259 VanDerWaalsContact CB-CD1 3.42Å; V241-L259 HydrophobicContact CG2-CD1 4.33Å; V241-L259 HydrophobicContact CG2-CD2 3.94Å; V241-L259 HydrophobicContact CG2-CG 4.38Å; N256-L259 VanDerWaalsContact O-CB 3.31Å; N256-L259 WeakPolarHBondContact O-CB 3.34Å; N256-L259 PolarHBondContact O-N 3.32Å; N256-L259 VanDerWaalsContact O-N 3.13Å; E257-L259 VanDerWaalsContact C-N 3.3Å; E257-L259 PolarHBondContact O-N 2.98Å
260	Y	76.1	Confident	60.8	Low	4 Å²	4	100.7 Å²	100.7	2%	0.016	53%	0.528	C	S	.	.	T	Hydrogen-bonded Turn	trans	-116	-5.8	-173.7	-62.7	-59.8	0	0	0	114	Y212 H213 M216 L217 I220 I237 V241 F258 D262 L263	Y212-Y260 AromaticContact CE1-CD2 3.89Å; Y212-Y260 HydrophobicContact CE1-CD2 3.89Å; Y212-Y260 AromaticContact CE1-CE2 3.94Å; Y212-Y260 HydrophobicContact CE1-CE2 3.94Å; H213-Y260 AromaticContact CE1-CE2 3.99Å; H213-Y260 AromaticContact ND1-CE2 3.4Å; H213-Y260 WeakPolarHBondContact ND1-CE2 3.39Å; H213-Y260 AromaticContact ND1-CZ 3.59Å; H213-Y260 PolarHBondContact ND1-OH 2.8Å; M216-Y260 HydrophobicContact CB-CD1 4.29Å; M216-Y260 HydrophobicContact CB-CD2 3.8Å; M216-Y260 HydrophobicContact CB-CE1 4.12Å; M216-Y260 HydrophobicContact CB-CE2 3.59Å; M216-Y260 HydrophobicContact CB-CG 4.15Å; M216-Y260 HydrophobicContact CE-CD2 3.87Å; M216-Y260 HydrophobicContact CE-CG 3.85Å; M216-Y260 HydrophobicContact CG-CD2 3.7Å; M216-Y260 HydrophobicContact CG-CE2 3.76Å; M216-Y260 HydrophobicContact CG-CG 4.33Å; L217-Y260 HydrophobicContact CD2-CE1 4.34Å; I220-Y260 HydrophobicContact CD1-CD1 3.79Å; I220-Y260 HydrophobicContact CD1-CE1 3.9Å; I237-Y260 HydrophobicContact CD1-CD1 4.09Å; I237-Y260 HydrophobicContact CD1-CE1 3.91Å; V241-Y260 HydrophobicContact CG2-CE1 4.17Å; F258-Y260 PolarHBondContact O-N 3.43Å; F258-Y260 VanDerWaalsContact O-N 3.13Å; Y260-D262 VanDerWaalsContact C-N 3.31Å; Y260-D262 PolarHBondContact O-N 3.33Å; Y260-L263 WeakPolarHBondContact O-CB 3.49Å; Y260-L263 PolarHBondContact O-N 3.47Å
261	D	70.8	Confident	58.7	Low	91 Å²	91	100.8 Å²	100.8	49%	0.487	54%	0.541	S	S	.	.	G	3₁₀ helix	trans	-62.7	-36.9	-176.5	-64.1	38.4	0	0	0	112.1	F258 L263 D264	F258-D261 WeakPolarHBondContact CA-OD1 3.46Å; F258-D261 WeakPolarHBondContact CD1-OD2 3.24Å; F258-D261 PolarHBondContact O-N 3.13Å; D261-L263 PolarHBondContact O-N 2.99Å; D261-D264 PolarHBondContact O-N 3.47Å
262	D	61.3	Low	57.6	Low	145 Å²	145	97.8 Å²	97.8	78%	0.775	52%	0.518	S	S	*	.	G	3₁₀ helix	trans	-61.8	-5.3	175	-101	18.6	0	0	0	113.9	Y260	Y260-D262 VanDerWaalsContact C-N 3.31Å; Y260-D262 PolarHBondContact O-N 3.33Å
263	L	65.4	Low	57	Low	15 Å²	15	96 Å²	96	8%	0.079	51%	0.512	C	S	.	.	G	3₁₀ helix	trans	-110.3	4.5	177.2	-61.3	176.8	0	0	0	114.1	I220 V229 A233 I237 Y260 D261 L265	I220-L263 HydrophobicContact CD1-CD1 3.57Å; I220-L263 HydrophobicContact CG1-CD1 3.97Å; V229-L263 HydrophobicContact CG1-CD2 4.3Å; A233-L263 HydrophobicContact CB-CD2 3.64Å; I237-L263 HydrophobicContact CD1-CD1 3.67Å; I237-L263 HydrophobicContact CG1-CD1 4.22Å; I237-L263 HydrophobicContact CG2-CD1 4.21Å; I237-L263 HydrophobicContact CG2-CG 4.49Å; Y260-L263 WeakPolarHBondContact O-CB 3.49Å; Y260-L263 PolarHBondContact O-N 3.47Å; D261-L263 PolarHBondContact O-N 2.99Å; L263-L265 VanDerWaalsContact C-N 3.33Å; L263-L265 HydrophobicContact CB-CD1 3.71Å; L263-L265 HydrophobicContact CB-CG 4.05Å; L263-L265 HydrophobicContact CD1-CD1 4.26Å; L263-L265 PolarHBondContact O-N 3.36Å
264	D	55.9	Low	55	Low	145 Å²	145	98.5 Å²	98.5	78%	0.775	54%	0.539	S	S	*	.	T	Hydrogen-bonded Turn	trans	57.1	40.6	170.5	-140	2.8	0	0	0	113.6	D261 E266	D261-D264 PolarHBondContact O-N 3.47Å; D264-E266 VanDerWaalsContact C-N 3.35Å; D264-E266 PolarHBondContact O-N 2.88Å
265	L	59.4	Low	53.5	Low	24 Å²	24	96.6 Å²	96.6	13%	0.126	54%	0.54	C	S	.	.	T	Hydrogen-bonded Turn	trans	-81.8	1.3	-168.5	-79.7	157.8	0	0	0	115.5	M216 T219 I220 M223 L263	M216-L265 HydrophobicContact CE-CB 4.02Å; M216-L265 HydrophobicContact CE-CD1 3.79Å; M216-L265 HydrophobicContact CE-CG 4.47Å; T219-L265 HydrophobicContact CG2-CD2 3.68Å; I220-L265 HydrophobicContact CD1-CD1 4.03Å; I220-L265 HydrophobicContact CG1-CD1 3.92Å; I220-L265 HydrophobicContact CG1-CD2 4.39Å; M223-L265 HydrophobicContact CE-CD2 4.34Å; M223-L265 HydrophobicContact SD-CD2 3.46Å; M223-L265 WeakPolarHBondContact SD-CD2 3.5Å; L263-L265 VanDerWaalsContact C-N 3.33Å; L263-L265 HydrophobicContact CB-CD1 3.71Å; L263-L265 HydrophobicContact CB-CG 4.05Å; L263-L265 HydrophobicContact CD1-CD1 4.26Å; L263-L265 PolarHBondContact O-N 3.36Å
266	E	52.3	Low	52	Low	186 Å²	186	98.1 Å²	98.1	87%	0.869	56%	0.559	S	S	*	*	T	Hydrogen-bonded Turn	trans	-76.4	-24.7	-171.8	-64.4	-158.4	123.3	0	0	115.1	D264 I268	D264-E266 VanDerWaalsContact C-N 3.35Å; D264-E266 PolarHBondContact O-N 2.88Å; E266-I268 VanDerWaalsContact C-N 3.26Å; E266-I268 PolarHBondContact O-N 2.82Å; E266-I268 VanDerWaalsContact O-N 3.09Å
267	D	46.2	Very low	50.6	Low	156 Å²	156	100 Å²	100	83%	0.834	58%	0.577	S	S	*	*			trans	-87	31.6	-167.8	-155.3	24.8	0	0	0	114.6
268	I	47.1	Very low	48.8	Very low	72 Å²	72	98.2 Å²	98.2	37%	0.369	58%	0.582	S	S	.	*			trans	-110.1	109.3	177.6	-55.8	-179.1	0	0	0	110.4	T219 E266	T219-I268 HydrophobicContact CG2-CD1 3.75Å; E266-I268 VanDerWaalsContact C-N 3.26Å; E266-I268 PolarHBondContact O-N 2.82Å; E266-I268 VanDerWaalsContact O-N 3.09Å
269	P	39.5	Very low	47.1	Very low	88 Å²	88	95.7 Å²	95.7	57%	0.571	59%	0.594	S	S	*	*			trans	-62.8	138.3	-177.2	-25.6	35	0	0	0	113.8	A271	P269-A271 PolarHBondContact O-N 3.2Å
270	P	41.1	Very low	44.8	Very low	121 Å²	121	102 Å²	102	79%	0.786	63%	0.628	S	S	*	*	G	3₁₀ helix	trans	-70.8	10.8	-175.6	29.1	-36.8	0	0	0	115.2	L272	P270-L272 VanDerWaalsContact C-N 3.27Å; P270-L272 PolarHBondContact O-N 3.04Å
271	A	33.2	Very low	42.7	Very low	88 Å²	88	108.2 Å²	108.2	73%	0.727	67%	0.666	S	S	*	*	G	3₁₀ helix	trans	-73.6	-11.5	-174.8	0	0	0	0	0	114.7	P269	P269-A271 PolarHBondContact O-N 3.2Å
272	L	40.2	Very low	40.7	Very low	66 Å²	66	112.5 Å²	112.5	35%	0.346	68%	0.683	S	S	.	*	G	3₁₀ helix	trans	-98.6	-6.7	-173.4	-60.8	171.4	0	0	0	114	P270 A274 Q935	P270-L272 VanDerWaalsContact C-N 3.27Å; P270-L272 PolarHBondContact O-N 3.04Å; L272-A274 PolarHBondContact O-N 2.73Å; L272-Q935 WeakPolarHBondContact CD1-O 3.44Å; L272-Q935 WeakPolarHBondContact CD1-OXT 3.44Å
273	V	45.9	Very low	39.2	Very low	121 Å²	121	112.7 Å²	112.7	73%	0.733	68%	0.684	S	S	*	*			trans	-102.8	74.5	-171.5	-169.8	0	0	0	0	111
274	A	30.2	Very low	37.5	Very low	85 Å²	85	117.7 Å²	117.7	70%	0.702	71%	0.711	S	S	*	*			trans	-144.1	69.2	-171.6	0	0	0	0	0	115.8	L272	L272-A274 PolarHBondContact O-N 2.73Å
275	T	29.8	Very low	36	Very low	140 Å²	140	118.7 Å²	118.7	86%	0.859	71%	0.713	S	S	*	*			trans	-135.7	57.8	166.9	55.2	0	0	0	0	115.1
276	S	27.1	Very low	34.5	Very low	113 Å²	113	125.7 Å²	125.7	79%	0.79	74%	0.739	S	S	*	*			trans	-161.8	128.9	154.5	-87	0	0	0	0	112.4
277	P	37.8	Very low	33.3	Very low	132 Å²	132	124 Å²	124	86%	0.857	74%	0.735	S	S	*	*			trans	-90.7	111.8	172.5	33.4	-29.6	0	0	0	111.3
278	S	26.6	Very low	32.3	Very low	121 Å²	121	123 Å²	123	85%	0.846	73%	0.725	S	S	*	*			trans	-132.7	129.3	160	-78.5	0	0	0	0	107.9
279	G	28.3	Very low	31.2	Very low	83 Å²	83	124.9 Å²	124.9	86%	0.856	75%	0.745	S	S	*	*			trans	-76.4	129.9	-168.3	0	0	0	0	0	112.7
280	N	26.2	Very low	30.4	Very low	146 Å²	146	126.2 Å²	126.2	78%	0.781	76%	0.756	S	S	*	*			trans	-86.7	129.5	167.2	-151.6	51.8	0	0	0	110
281	V	32.4	Very low	29.6	Very low	135 Å²	135	125.6 Å²	125.6	82%	0.818	76%	0.755	S	S	*	*			trans	-113.3	113.4	163.9	-79.1	0	0	0	0	107.7
282	E	29.1	Very low	29.5	Very low	181 Å²	181	126.9 Å²	126.9	85%	0.846	75%	0.753	S	S	*	*			trans	-157.7	148.5	160.5	-117.2	162.1	-179.9	0	0	109.3
283	D	28.5	Very low	29.4	Very low	148 Å²	148	129.3 Å²	129.3	79%	0.791	77%	0.773	S	S	*	*			trans	-145.5	148	-164.7	-173.4	-144.8	0	0	0	109.2
284	D	30.1	Very low	28.4	Very low	120 Å²	120	128.6 Å²	128.6	64%	0.642	77%	0.769	S	S	*	*			trans	48	115.1	174.6	-98.3	-16.7	0	0	0	119.4
285	M	25.2	Very low	28.2	Very low	167 Å²	167	129.1 Å²	129.1	82%	0.823	77%	0.767	S	S	*	*				-162.3	121.3	102.3	-161.8	55.7	54.9	0	0	114.4
286	Y	27	Very low	28	Very low	171 Å²	171	128.7 Å²	128.7	67%	0.671	77%	0.765	S	S	*	*			trans	-18.6	141.5	159.3	-113	-116.7	0	0	0	119.6
287	L	27.9	Very low	27.9	Very low	151 Å²	151	129.6 Å²	129.6	79%	0.791	77%	0.766	S	S	*	*				-170.5	101.9	119.5	-102.1	169.5	0	0	0	115.6
288	H	25.6	Very low	27.5	Very low	135 Å²	135	127.9 Å²	127.9	63%	0.625	76%	0.757	S	S	*	*			trans	54.1	104.5	145	-60.9	162.6	0	0	0	124
289	S	23.2	Very low	27.6	Very low	111 Å²	111	127.8 Å²	127.8	78%	0.776	76%	0.756	S	S	*	*				65.9	113.2	111.9	-53.8	0	0	0	0	122.4
290	S	23	Very low	27.7	Very low	116 Å²	116	129.3 Å²	129.3	81%	0.811	75%	0.754	S	S	*	*				-159	150.4	108.5	62.4	0	0	0	0	111.6
291	S	25.2	Very low	28.2	Very low	108 Å²	108	128.2 Å²	128.2	76%	0.755	76%	0.755	S	S	*	*			trans	-165.8	152.5	178.4	-75.1	0	0	0	0	113.1
292	T	31	Very low	28.5	Very low	114 Å²	114	129.7 Å²	129.7	70%	0.699	76%	0.756	S	S	*	*			trans	69.5	165.2	171.9	80.1	0	0	0	0	115.4	T294	T292-T294 HydrophobicContact CG2-CG2 4.19Å
293	P	36.7	Very low	29.2	Very low	117 Å²	117	126.3 Å²	126.3	76%	0.76	75%	0.75	S	S	*	*			cis	-73.7	159.2	26	-20	35.9	0	0	0	115.4
294	T	25.4	Very low	30.1	Very low	107 Å²	107	124.9 Å²	124.9	66%	0.656	75%	0.749	S	S	*	*			cis	65.5	142.2	28.3	65.7	0	0	0	0	115.6	T292	T292-T294 HydrophobicContact CG2-CG2 4.19Å
295	S	26.1	Very low	30.5	Very low	95 Å²	95	124.3 Å²	124.3	66%	0.664	75%	0.754	S	S	*	*			cis	-167.1	-169.8	-15.7	-99.8	0	0	0	0	109.5
296	T	26.7	Very low	31	Very low	132 Å²	132	122.2 Å²	122.2	81%	0.81	75%	0.753	S	S	*	*			trans	80.9	130.3	176	74.6	0	0	0	0	114.5
297	T	24.8	Very low	31.2	Very low	131 Å²	131	118.2 Å²	118.2	80%	0.804	76%	0.756	S	S	*	*			cis	-162.3	171.4	0.6	4.3	0	0	0	0	108.8
298	S	28	Very low	31.1	Very low	96 Å²	96	117.2 Å²	117.2	67%	0.671	76%	0.756	S	S	*	*			cis	-168	159	3.4	43.2	0	0	0	0	111.5
299	S	29.1	Very low	31	Very low	119 Å²	119	115.6 Å²	115.6	83%	0.832	76%	0.759	S	S	*	*			trans	74.9	121.6	151.6	-56.3	0	0	0	0	121.9
300	S	30.8	Very low	31.2	Very low	116 Å²	116	116.5 Å²	116.5	81%	0.811	76%	0.76	S	S	*	*			trans	-88.4	-177	161.1	-37.3	0	0	0	0	110.9
301	P	37.3	Very low	31.4	Very low	123 Å²	123	115.3 Å²	115.3	80%	0.799	76%	0.757	S	S	*	*				-147.7	-179.6	62	39.4	-17.9	0	0	0	117.3
302	I	38	Very low	31.3	Very low	165 Å²	165	118 Å²	118	85%	0.846	76%	0.757	S	S	*	*			trans	-128.8	140	173.1	-48.7	167.5	0	0	0	107.9
303	P	44.1	Very low	31.1	Very low	111 Å²	111	119.3 Å²	119.3	72%	0.721	76%	0.76	S	S	*	*			trans	-153.2	-173.3	131.6	40.3	-23.5	0	0	0	113.1
304	P	47.7	Very low	30.8	Very low	118 Å²	118	117.4 Å²	117.4	77%	0.766	75%	0.75	S	S	*	*			cis	-127.4	175.3	-18	17	7.1	0	0	0	114.4
305	S	37.2	Very low	31.1	Very low	107 Å²	107	120.5 Å²	120.5	75%	0.748	76%	0.757	S	S	*	*			trans	-121.9	146.8	139	-57.6	0	0	0	0	108
306	P	36.7	Very low	31.3	Very low	124 Å²	124	123.1 Å²	123.1	81%	0.805	76%	0.764	S	S	*	*			trans	-70.1	125.1	169	29.3	-31.7	0	0	0	108.8
307	A	30	Very low	31.4	Very low	87 Å²	87	121.7 Å²	121.7	72%	0.719	75%	0.751	S	S	*	*				69.6	135.2	60.5	0	0	0	0	0	111.2
308	T	27	Very low	31.7	Very low	129 Å²	129	122.2 Å²	122.2	79%	0.791	74%	0.742	S	S	*	*			cis	-151.4	172.3	30.3	45.8	0	0	0	0	110.4
309	C	24.3	Very low	31.8	Very low	101 Å²	101	126.2 Å²	126.2	68%	0.682	75%	0.747	S	S	*	*			cis	-163.8	156.9	-16.3	-108	0	0	0	0	111
310	T	26	Very low	31.8	Very low	131 Å²	131	132.2 Å²	132.2	80%	0.804	75%	0.752	S	S	*	*			trans	21.4	141.5	141.5	66.1	0	0	0	0	120.8
311	A	28.3	Very low	31.6	Very low	91 Å²	91	130.2 Å²	130.2	75%	0.752	75%	0.749	S	S	*	*			cis	-159	-158.5	10.8	0	0	0	0	0	109.7
312	E	23.4	Very low	31.3	Very low	163 Å²	163	135.7 Å²	135.7	76%	0.762	75%	0.754	S	S	*	*			cis	-161.2	164.3	4.2	-149	-168.1	-86.9	0	0	112.3
313	N	25.4	Very low	30.9	Very low	143 Å²	143	131.9 Å²	131.9	77%	0.765	74%	0.742	S	S	*	*			trans	69.9	174.9	152.2	-124.2	-60.2	0	0	0	120.9
314	S	31.5	Very low	30.3	Very low	77 Å²	77	132.6 Å²	132.6	54%	0.538	74%	0.744	S	S	.	*			trans	-121.5	161.9	-136.3	-134.8	0	0	0	0	117.1
315	E	30.8	Very low	29.3	Very low	171 Å²	171	133.6 Å²	133.6	80%	0.799	74%	0.743	S	S	*	*			trans	47.5	119.9	141.6	-70.7	159.7	120.7	0	0	122.2
316	D	30.3	Very low	28.9	Very low	151 Å²	151	132.7 Å²	132.7	81%	0.807	74%	0.737	S	S	*	*				131.6	145.4	110	-135.7	-20.5	0	0	0	118.2
317	D	29.9	Very low	28.5	Very low	102 Å²	102	135.2 Å²	135.2	55%	0.545	74%	0.738	S	S	.	*			trans	79.9	125.8	143.8	-136.4	8.9	0	0	0	124.9
318	K	29.9	Very low	28.4	Very low	142 Å²	142	137 Å²	137	62%	0.617	74%	0.74	S	S	*	*			trans	56	125.2	149.2	-87.2	160.4	-158.7	78.8	0	122.4
319	K	31.3	Very low	28.4	Very low	179 Å²	179	136.8 Å²	136.8	78%	0.778	74%	0.743	S	S	*	*				86.1	113.2	129.9	-74.9	171.4	-179	174.9	0	120.9
320	R	27.8	Very low	28.6	Very low	246 Å²	246	140.4 Å²	140.4	93%	0.928	75%	0.75	S	S	*	*				67.7	109.4	114.4	-170.3	-163.6	-153.1	-121.8	6.6	118.4
321	G	28	Very low	28.8	Very low	73 Å²	73	139.6 Å²	139.6	75%	0.753	75%	0.75	S	S	*	*			trans	156.2	84.4	143.3	0	0	0	0	0	119.8
322	R	30	Very low	29.4	Very low	239 Å²	239	140.3 Å²	140.3	90%	0.902	75%	0.747	S	S	*	*				33.6	103.9	128.5	-172	179.5	-176.4	-153.7	-0	119.1
323	S	29.7	Very low	29.5	Very low	85 Å²	85	140.2 Å²	140.2	59%	0.594	76%	0.757	S	S	*	*				74.7	135.8	124.8	-160.3	0	0	0	0	121.5
324	T	31.6	Very low	29.6	Very low	126 Å²	126	142.1 Å²	142.1	77%	0.773	76%	0.759	S	S	*	*			trans	60.8	147.8	143.3	45.5	0	0	0	0	119.8
325	D	25.7	Very low	29.3	Very low	138 Å²	138	146 Å²	146	74%	0.738	77%	0.773	S	S	*	*			cis	-157.6	165.3	-11.7	176.7	-138.1	0	0	0	109.4
326	S	30.6	Very low	28.9	Very low	89 Å²	89	141.8 Å²	141.8	62%	0.622	78%	0.776	S	S	*	*			trans	-23.1	131.3	166.6	-48.4	0	0	0	0	118.8
327	Q	26.7	Very low	28.8	Very low	177 Å²	177	139.3 Å²	139.3	83%	0.827	78%	0.776	S	S	*	*				170.1	122.9	112.9	-89.6	-169.4	30.3	0	0	110.5
328	V	27.7	Very low	29.1	Very low	124 Å²	124	140.3 Å²	140.3	75%	0.752	79%	0.788	S	S	*	*				64.5	97.1	85.7	177.8	0	0	0	0	114.6
329	S	27.7	Very low	29	Very low	124 Å²	124	138.9 Å²	138.9	87%	0.867	80%	0.796	S	S	*	*			trans	-172.7	163.8	132.8	-84.3	0	0	0	0	111.3
330	Q	28.5	Very low	28.9	Very low	178 Å²	178	138.7 Å²	138.7	83%	0.832	80%	0.803	S	S	*	*			trans	-114.3	132.9	-157.6	-62.5	172.9	-16.1	0	0	115.3
331	S	30	Very low	28.9	Very low	113 Å²	113	135.9 Å²	135.9	79%	0.79	80%	0.8	S	S	*	*			trans	65	-176.9	145.5	83.2	0	0	0	0	117
332	P	40.7	Very low	28.8	Very low	107 Å²	107	136.7 Å²	136.7	70%	0.695	79%	0.794	S	S	*	*			cis	-131.3	145.7	-11.2	36.1	-19.5	0	0	0	115.4
333	V	25.7	Very low	28.7	Very low	160 Å²	160	130 Å²	130	97%	0.97	78%	0.784	S	S	*	*			trans	-148.2	162.7	150.3	-116.8	0	0	0	0	110.8
334	K	26.9	Very low	28.6	Very low	184 Å²	184	134.3 Å²	134.3	80%	0.8	79%	0.792	S	S	*	*			trans	-134.6	131.3	-158.2	170.9	-172.5	176.7	-178.3	0	111
335	N	25.2	Very low	28.3	Very low	157 Å²	157	133.6 Å²	133.6	84%	0.84	79%	0.792	S	S	*	*			trans	174.4	137	136.8	-89.2	-20.6	0	0	0	113.6
336	G	23.9	Very low	28.6	Very low	83 Å²	83	131.7 Å²	131.7	86%	0.856	79%	0.79	S	S	*	*			trans	90.3	79.5	143.6	0	0	0	0	0	120.5
337	A	26.8	Very low	28.6	Very low	99 Å²	99	132.8 Å²	132.8	82%	0.818	80%	0.798	S	S	*	*			trans	-153.1	153.7	154.4	0	0	0	0	0	110.8
338	P	36.7	Very low	28.8	Very low	124 Å²	124	128.5 Å²	128.5	81%	0.805	79%	0.793	S	S	*	*			trans	-104.8	170.8	-165.3	40	-36.6	0	0	0	117
339	S	27.3	Very low	28.9	Very low	112 Å²	112	128.5 Å²	128.5	78%	0.783	79%	0.793	S	S	*	*			trans	-22.2	138.7	168.9	-45.1	0	0	0	0	120.7
340	L	29.6	Very low	28.9	Very low	174 Å²	174	128.2 Å²	128.2	91%	0.911	79%	0.791	S	S	*	*			trans	-142	153.7	145.5	-77.3	-178.3	0	0	0	110.4
341	Q	27.1	Very low	28.8	Very low	188 Å²	188	123 Å²	123	88%	0.879	79%	0.785	S	S	*	*			trans	-140.6	158.1	173.8	-78.9	-170.9	-14	0	0	111.9
342	S	26.9	Very low	28.7	Very low	90 Å²	90	123.3 Å²	123.3	63%	0.629	79%	0.787	S	S	*	*			trans	-36.3	149.5	165	46.8	0	0	0	0	116.3
343	S	28.1	Very low	28	Very low	97 Å²	97	123.2 Å²	123.2	68%	0.678	79%	0.789	S	S	*	*			cis	-162	-143.2	-0.4	-97.3	0	0	0	0	109.1
344	F	26.7	Very low	28.1	Very low	177 Å²	177	120.9 Å²	120.9	78%	0.776	78%	0.78	S	S	*	*			cis	-162.8	153.5	19.8	-61.7	-94.9	0	0	0	113.9
345	S	26.3	Very low	28.1	Very low	110 Å²	110	117.3 Å²	117.3	77%	0.769	78%	0.778	S	S	*	*			trans	3.9	154.4	130.4	-57	0	0	0	0	120.4
346	S	31.2	Very low	28.2	Very low	99 Å²	99	114.7 Å²	114.7	69%	0.692	77%	0.772	S	S	*	*			cis	175.6	173.9	0.5	47.4	0	0	0	0	113.4
347	S	30.3	Very low	28.3	Very low	112 Å²	112	115.7 Å²	115.7	78%	0.783	77%	0.766	S	S	*	*			trans	77	172.4	149.8	-58.6	0	0	0	0	117.5
348	A	31.8	Very low	28.3	Very low	87 Å²	87	118.8 Å²	118.8	72%	0.719	77%	0.768	S	S	*	*			cis	-160.3	178.3	18.3	0	0	0	0	0	110.6
349	T	29.1	Very low	27.7	Very low	123 Å²	123	117.9 Å²	117.9	76%	0.755	77%	0.765	S	S	*	*			cis	178.1	166.7	-23.4	33.8	0	0	0	0	107.5
350	S	29	Very low	27.7	Very low	118 Å²	118	121.3 Å²	121.3	83%	0.825	77%	0.77	S	S	*	*			cis	179.7	134.9	-33.8	-82	0	0	0	0	109.9
351	G	25.6	Very low	27.6	Very low	69 Å²	69	118 Å²	118	71%	0.711	77%	0.769	S	S	*	*			trans	170.9	156.7	174.7	0	0	0	0	0	112.4
352	S	27.3	Very low	27.5	Very low	119 Å²	119	114.3 Å²	114.3	83%	0.832	76%	0.763	S	S	*	*			cis	86.5	137.3	18.3	-54.5	0	0	0	0	115.6
353	S	27.4	Very low	27.7	Very low	106 Å²	106	116.7 Å²	116.7	74%	0.741	77%	0.774	S	S	*	*			cis	-171.4	176.5	-8.6	-98.9	0	0	0	0	112.5
354	S	27.8	Very low	27.6	Very low	110 Å²	110	118.6 Å²	118.6	77%	0.769	78%	0.781	S	S	*	*			trans	101.2	123.6	145.6	-54.6	0	0	0	0	123
355	S	25.5	Very low	27.6	Very low	109 Å²	109	113.7 Å²	113.7	76%	0.762	78%	0.78	S	S	*	*			trans	36.7	128.2	136.2	65	0	0	0	0	124.8
356	S	29	Very low	27.6	Very low	103 Å²	103	112 Å²	112	72%	0.72	78%	0.78	S	S	*	*			trans	-43	150.3	153.9	50.9	0	0	0	0	119
357	S	25.4	Very low	28.1	Very low	103 Å²	103	114.5 Å²	114.5	72%	0.72	78%	0.784	S	S	*	*				167.9	152.9	105.4	-68	0	0	0	0	116.1
358	L	25.5	Very low	28.2	Very low	164 Å²	164	115.2 Å²	115.2	86%	0.859	79%	0.786	S	S	*	*			trans	66.2	134.9	165.2	-48.3	-172	0	0	0	117.8
359	S	25.8	Very low	28	Very low	106 Å²	106	114.1 Å²	114.1	74%	0.741	78%	0.777	S	S	*	*				-167.7	152.4	64.7	-67.4	0	0	0	0	115.9
360	M	26.4	Very low	28.2	Very low	183 Å²	183	115.1 Å²	115.1	90%	0.901	78%	0.782	S	S	*	*			trans	47.6	115.3	146.3	-61.7	-65.6	-169.8	0	0	122.4
361	A	26.6	Very low	28.5	Very low	106 Å²	106	114.5 Å²	114.5	88%	0.876	78%	0.775	S	S	*	*				-160.4	149.9	127.1	0	0	0	0	0	110.6
362	S	26.5	Very low	28.5	Very low	110 Å²	110	117.1 Å²	117.1	77%	0.769	78%	0.778	S	S	*	*			trans	-115.2	150.8	-178.9	-57.6	0	0	0	0	112
363	V	29.9	Very low	28.5	Very low	140 Å²	140	117.3 Å²	117.3	85%	0.848	78%	0.779	S	S	*	*				-170	143.8	125.1	-94.9	0	0	0	0	112.6
364	V	27.1	Very low	28.5	Very low	137 Å²	137	117.7 Å²	117.7	83%	0.83	78%	0.782	S	S	*	*			trans	49.8	110.7	150.7	175.4	0	0	0	0	119.5
365	G	25.4	Very low	28.6	Very low	74 Å²	74	118.2 Å²	118.2	76%	0.763	79%	0.785	S	S	*	*			trans	-102.9	175	137.6	0	0	0	0	0	110.3
366	G	26.7	Very low	28.8	Very low	73 Å²	73	120.5 Å²	120.5	75%	0.753	79%	0.789	S	S	*	*			cis	172.4	-164.8	0.2	0	0	0	0	0	113.7
367	I	41.3	Very low	28.8	Very low	153 Å²	153	123.8 Å²	123.8	79%	0.785	80%	0.796	S	S	*	*			trans	-33.6	154.6	171.1	55.4	179.7	0	0	0	117.2	A369	I367-A369 HydrophobicContact CB-CB 4.45Å; I367-A369 HydrophobicContact CD1-CB 4.28Å; I367-A369 HydrophobicContact CG1-CB 4.49Å
368	P	34	Very low	28.7	Very low	127 Å²	127	122.1 Å²	122.1	83%	0.825	80%	0.795	S	S	*	*				-121.6	147.3	96.4	35.8	-34.3	0	0	0	112.8
369	A	25.8	Very low	28.8	Very low	64 Å²	64	119.8 Å²	119.8	53%	0.529	79%	0.792	S	S	.	*			cis	113.3	93.6	11.1	0	0	0	0	0	114.5	I367	I367-A369 HydrophobicContact CB-CB 4.45Å; I367-A369 HydrophobicContact CD1-CB 4.28Å; I367-A369 HydrophobicContact CG1-CB 4.49Å
370	V	34.5	Very low	28.8	Very low	143 Å²	143	124.1 Å²	124.1	87%	0.867	80%	0.798	S	S	*	*			trans	61.8	161.9	148.6	-101.6	0	0	0	0	118.1
371	P	34.7	Very low	28.8	Very low	105 Å²	105	120.5 Å²	120.5	68%	0.682	79%	0.791	S	S	*	*			cis	-141	167.3	37.4	43	-23.2	0	0	0	119.9
372	T	26.4	Very low	28.8	Very low	125 Å²	125	120.4 Å²	120.4	77%	0.767	78%	0.784	S	S	*	*			trans	51	128.1	146.8	51.1	0	0	0	0	121.9
373	S	26.1	Very low	28.9	Very low	123 Å²	123	119.8 Å²	119.8	86%	0.86	79%	0.785	S	S	*	*			trans	-124.5	129.7	141.7	56.3	0	0	0	0	110.1
374	S	29.1	Very low	28.9	Very low	113 Å²	113	119.1 Å²	119.1	79%	0.79	78%	0.781	S	S	*	*			trans	-148.2	121.1	174.3	57.3	0	0	0	0	109.2
375	S	29.7	Very low	29	Very low	121 Å²	121	121.8 Å²	121.8	85%	0.846	79%	0.785	S	S	*	*			trans	-92.7	130.4	-171.9	-51.1	0	0	0	0	112.7
376	L	29.5	Very low	29.2	Very low	158 Å²	158	126 Å²	126	83%	0.827	79%	0.785	S	S	*	*			trans	-149.8	145.4	164.5	-79.6	-175.9	0	0	0	111.5
377	I	27.7	Very low	29.2	Very low	171 Å²	171	130.1 Å²	130.1	88%	0.877	78%	0.784	S	S	*	*			trans	67.5	145.6	165	-59.2	155.8	0	0	0	114.3
378	G	23.8	Very low	28.6	Very low	68 Å²	68	129.5 Å²	129.5	70%	0.701	78%	0.778	S	S	*	*			cis	159.8	141.5	-7.2	0	0	0	0	0	111
379	S	27.3	Very low	28.4	Very low	115 Å²	115	130 Å²	130	80%	0.804	77%	0.769	S	S	*	*			trans	-75.3	146.4	-172.3	-43.3	0	0	0	0	114.6
380	F	26.6	Very low	28.7	Very low	197 Å²	197	135.7 Å²	135.7	86%	0.864	78%	0.784	S	S	*	*				-178.6	147.9	115.9	48.5	-116.9	0	0	0	115.5
381	S	26.5	Very low	28.3	Very low	107 Å²	107	134.7 Å²	134.7	75%	0.748	78%	0.784	S	S	*	*			trans	58.8	154.4	150.4	-68.8	0	0	0	0	122.5
382	S	27.2	Very low	28.1	Very low	105 Å²	105	134.1 Å²	134.1	73%	0.734	79%	0.788	S	S	*	*			cis	-171.5	149.4	-18.7	-93.5	0	0	0	0	111.8
383	A	28.7	Very low	28.4	Very low	96 Å²	96	136.9 Å²	136.9	79%	0.793	79%	0.792	S	S	*	*			trans	65.5	158	150.5	0	0	0	0	0	120.2
384	V	28.9	Very low	28.6	Very low	126 Å²	126	140.3 Å²	140.3	76%	0.764	80%	0.795	S	S	*	*			cis	-164.3	142.1	-18.2	131.8	0	0	0	0	109.5
385	Q	29	Very low	28.8	Very low	193 Å²	193	143.2 Å²	143.2	90%	0.902	80%	0.796	S	S	*	*			trans	-167.6	169.8	135.9	-117.4	172.6	-12.5	0	0	113
386	Q	29.1	Very low	29	Very low	163 Å²	163	145.9 Å²	145.9	76%	0.762	80%	0.795	S	S	*	*			trans	-123.7	150.6	-157.4	-54	162.6	-80.9	0	0	114.8
387	H	28	Very low	29.1	Very low	160 Å²	160	147 Å²	147	74%	0.741	80%	0.796	S	S	*	*			trans	144.5	159.1	142.1	-85.8	75.3	0	0	0	111.2
388	Q	27.8	Very low	29	Very low	139 Å²	139	143.3 Å²	143.3	65%	0.65	79%	0.785	S	S	*	*			cis	-164	162.8	-42.4	-151.5	-173.1	2	0	0	108.4
389	H	29.1	Very low	29.3	Very low	139 Å²	139	148.6 Å²	148.6	64%	0.644	79%	0.792	S	S	*	*			trans	44.1	98.6	165.5	-70.9	-64.9	0	0	0	121.6
390	Q	32.6	Very low	30.3	Very low	182 Å²	182	148.2 Å²	148.2	85%	0.85	79%	0.786	S	S	*	*				26.9	123	103.5	-176.5	-178.4	65.6	0	0	119.3
391	S	27.1	Very low	30.4	Very low	122 Å²	122	144 Å²	144	85%	0.853	78%	0.782	S	S	*	*			trans	-148.3	168	157	62.2	0	0	0	0	111.1
392	A	30.9	Very low	30.4	Very low	94 Å²	94	146.3 Å²	146.3	78%	0.777	79%	0.786	S	S	*	*			trans	-124.4	-176.3	-159.6	0	0	0	0	0	115.9
393	Q	31.3	Very low	31.6	Very low	182 Å²	182	146.5 Å²	146.5	85%	0.85	79%	0.785	S	S	*	*			trans	-65	155.6	178.1	-53.1	151.2	-82.9	0	0	113.1
394	Q	31.1	Very low	31.7	Very low	195 Å²	195	147.2 Å²	147.2	91%	0.911	78%	0.783	S	S	*	*				-175.1	-176.1	114.3	-102.4	-179.6	4	0	0	113.7
395	Q	32	Very low	32	Very low	174 Å²	174	149.8 Å²	149.8	81%	0.813	79%	0.787	S	S	*	*			trans	-123.7	145.6	-157.9	-63.9	168.2	-83.8	0	0	114.6
396	Q	35	Very low	32.1	Very low	178 Å²	178	148.3 Å²	148.3	83%	0.832	78%	0.78	S	S	*	*				62.2	113.4	128.8	-169.7	173.8	44.4	0	0	122.5
397	Q	30.8	Very low	32.3	Very low	182 Å²	182	148.9 Å²	148.9	85%	0.85	78%	0.783	S	S	*	*			trans	-170.4	166.6	146.7	-116.9	-165.4	93.4	0	0	109.5
398	S	27	Very low	32.7	Very low	93 Å²	93	149.9 Å²	149.9	65%	0.65	79%	0.788	S	S	*	*			cis	-156.1	-168.7	-4.6	-148.4	0	0	0	0	111.9
399	Q	29.8	Very low	32.8	Very low	178 Å²	178	151.5 Å²	151.5	83%	0.832	80%	0.796	S	S	*	*			trans	-110.4	-176	163.5	-79.9	-170.3	-13.6	0	0	109.4
400	P	48.8	Very low	33.1	Very low	107 Å²	107	151.7 Å²	151.7	70%	0.695	80%	0.797	S	S	*	*			cis	-148.2	179.1	14.8	45.7	-25	0	0	0	120.1
401	S	27.7	Very low	33.2	Very low	110 Å²	110	150.2 Å²	150.2	77%	0.769	79%	0.79	S	S	*	*			trans	52.5	119.2	141.8	-63.7	0	0	0	0	126.6
402	N	27.1	Very low	33.7	Very low	155 Å²	155	151.6 Å²	151.6	83%	0.829	78%	0.783	S	S	*	*				50.9	169.7	126.5	-102.7	1.1	0	0	0	123.2
403	P	52.2	Low	33.9	Very low	109 Å²	109	151.2 Å²	151.2	71%	0.708	78%	0.775	S	S	*	*			cis	-135.6	178.4	-27.9	37.7	-18.8	0	0	0	116.4
404	S	29.8	Very low	34.5	Very low	110 Å²	110	147.5 Å²	147.5	77%	0.769	76%	0.757	S	S	*	*			trans	-26.3	150	170	-41	0	0	0	0	123.7
405	Q	36	Very low	35	Very low	181 Å²	181	144.1 Å²	144.1	85%	0.846	75%	0.75	S	S	*	*				179.3	171	111.1	-100.4	-159.7	24.4	0	0	116.6
406	Q	31.8	Very low	36.2	Very low	162 Å²	162	145.4 Å²	145.4	76%	0.757	75%	0.753	S	S	*	*			trans	72.4	140	169.6	-70.7	-175.6	4.3	0	0	119.3
407	Q	32.4	Very low	36.7	Very low	174 Å²	174	141.7 Å²	141.7	81%	0.813	74%	0.744	S	S	*	*			cis	-158.5	171.1	-22.8	-147.2	161.4	2.5	0	0	111.1
408	Q	35.6	Very low	37	Very low	182 Å²	182	138.7 Å²	138.7	85%	0.85	74%	0.743	S	S	*	*			trans	-123.7	160.7	-172.9	-63.7	176.6	-30.8	0	0	114
409	Q	31.7	Very low	37.6	Very low	173 Å²	173	138.7 Å²	138.7	81%	0.808	75%	0.749	S	S	*	*			trans	171.7	155.1	144.5	-96.9	167.2	13.1	0	0	110.7
410	Q	33.4	Very low	38.2	Very low	143 Å²	143	135.8 Å²	135.8	67%	0.668	75%	0.745	S	S	*	*			cis	-170.1	143.5	-24.2	-120.3	176.3	-2.3	0	0	111.3
411	Q	34.8	Very low	37.1	Very low	151 Å²	151	135.9 Å²	135.9	71%	0.706	75%	0.749	S	S	*	*			trans	50.3	155.5	144.5	-65.4	176.5	-4.1	0	0	122.3
412	Q	38	Very low	37.2	Very low	150 Å²	150	137.9 Å²	137.9	70%	0.701	75%	0.751	S	S	*	*			cis	-166.9	170.1	-5.7	-117.3	178.4	18.5	0	0	113.6
413	S	36	Very low	37.3	Very low	87 Å²	87	137.2 Å²	137.2	61%	0.608	75%	0.747	S	S	*	*			trans	116.1	-178.7	155.6	78	0	0	0	0	122	P428	S413-P428 VanDerWaalsContact CB-CB 3.46Å
414	Q	42.5	Very low	36.3	Very low	103 Å²	103	139.1 Å²	139.1	48%	0.481	75%	0.752	S	S	.	*			trans	-121	150.6	-140.3	-81.3	172.6	-34.5	0	0	120.3	P429	Q414-P429 PolarHBondContact NE2-O 3.09Å; Q414-P429 VanDerWaalsContact NE2-O 3.14Å
415	T	43.3	Very low	36.2	Very low	125 Å²	125	141.8 Å²	141.8	77%	0.767	76%	0.757	S	S	*	*			trans	33.6	123.7	148.2	60.6	0	0	0	0	126.4
416	K	55.8	Low	37.2	Very low	200 Å²	200	138.1 Å²	138.1	87%	0.87	75%	0.749	S	S	*	*			trans	51.8	143	133.4	-175.8	172.9	-178.2	-178.7	0	120.2
417	P	46.3	Very low	37.1	Very low	100 Å²	100	135.1 Å²	135.1	65%	0.649	75%	0.746	S	S	*	*			cis	-132.4	-166.9	7.9	39.1	-19.2	0	0	0	116.6
418	S	37.5	Very low	38.7	Very low	119 Å²	119	130.4 Å²	130.4	83%	0.832	73%	0.731	S	S	*	*			trans	85.4	158.9	146.9	-66.8	0	0	0	0	120.8
419	A	39.4	Very low	39.8	Very low	93 Å²	93	125.5 Å²	125.5	77%	0.769	72%	0.715	S	S	*	*			trans	-100.5	-161.7	-173.3	0	0	0	0	0	111.6
420	P	41.8	Very low	39.7	Very low	117 Å²	117	122.9 Å²	122.9	76%	0.76	72%	0.715	S	S	*	*	S	Bend	trans	-73.3	157.6	-136.4	32.3	-40.7	0	0	0	118.4
421	S	27	Very low	39.4	Very low	109 Å²	109	123.7 Å²	123.7	76%	0.762	72%	0.724	S	S	*	*			trans	92.9	118	156.2	-54.9	0	0	0	0	120.3
422	N	28.2	Very low	40.5	Very low	152 Å²	152	121.1 Å²	121.1	81%	0.813	72%	0.721	S	S	*	*			trans	74.2	122.3	157.9	-64.8	-10.8	0	0	0	122.9
423	N	29.3	Very low	40.2	Very low	142 Å²	142	121.2 Å²	121.2	76%	0.759	73%	0.725	S	S	*	*			trans	75.9	114.3	150.7	-65.1	-0.6	0	0	0	125.1
424	N	32.3	Very low	39.9	Very low	149 Å²	149	124.3 Å²	124.3	80%	0.797	73%	0.734	S	S	*	*			trans	69.4	117.1	135.8	-58.3	-16	0	0	0	127.5
425	N	27.2	Very low	40.6	Very low	165 Å²	165	124.8 Å²	124.8	88%	0.882	75%	0.746	S	S	*	*			trans	80.4	165.6	141	-99.1	4.3	0	0	0	124.9
426	P	56.2	Low	40	Very low	105 Å²	105	123.5 Å²	123.5	68%	0.682	75%	0.748	S	S	*	*			trans	-145.2	177.9	-135.7	43	-21	0	0	0	123.8
427	S	31.2	Very low	38.8	Very low	99 Å²	99	119.2 Å²	119.2	69%	0.692	74%	0.743	S	S	*	*			trans	123.4	0	147.5	-32.6	0	0	0	0	122
428	P	64.3	Low	38.1	Very low	75 Å²	75	120.5 Å²	120.5	49%	0.487	75%	0.749	S	S	.	*				0	0	0	46.9	-25.5	0	0	0	118	S413	S413-P428 VanDerWaalsContact CB-CB 3.46Å
429	P	59	Low	37.9	Very low	79 Å²	79	119.3 Å²	119.3	51%	0.513	75%	0.747	S	S	.	*				0	-170.7	0	43.4	-24.1	0	0	0	117.5	Q414	Q414-P429 PolarHBondContact NE2-O 3.09Å; Q414-P429 VanDerWaalsContact NE2-O 3.14Å
430	S	30.4	Very low	38.3	Very low	118 Å²	118	120.2 Å²	120.2	83%	0.825	75%	0.745	S	S	*	*			trans	167.4	161.1	155.3	-80.3	0	0	0	0	120.2
431	N	28	Very low	37.8	Very low	160 Å²	160	119.8 Å²	119.8	86%	0.856	75%	0.745	S	S	*	*			trans	-176.8	0	167.1	-140.5	-12.8	0	0	0	113
432	P	56.9	Low	38.2	Very low	97 Å²	97	122.7 Å²	122.7	63%	0.63	75%	0.751	S	S	*	*				0	-171.7	0	43.7	-22.5	0	0	0	120.2
433	L	30.9	Very low	38.1	Very low	152 Å²	152	121.2 Å²	121.2	80%	0.796	75%	0.753	S	S	*	*			trans	102.9	114.9	141.2	-116.4	82.4	0	0	0	129.7
434	L	29.5	Very low	38.2	Very low	152 Å²	152	121 Å²	121	80%	0.796	76%	0.756	S	S	*	*			trans	41.8	176	131.4	-62.7	-179.6	0	0	0	127.4
435	P	57.4	Low	39	Very low	113 Å²	113	119.1 Å²	119.1	73%	0.734	75%	0.752	S	S	*	*			cis	-145.5	176.7	-49.8	43.7	-25.2	0	0	0	120.4
436	A	30.7	Very low	38.9	Very low	98 Å²	98	117 Å²	117	81%	0.81	75%	0.75	S	S	*	*			trans	88.6	118.7	141.7	0	0	0	0	0	129
437	S	32.3	Very low	37.8	Very low	110 Å²	110	118.5 Å²	118.5	77%	0.769	76%	0.758	S	S	*	*			trans	64.2	127.3	133.5	-144.2	0	0	0	0	129.5
438	T	31.5	Very low	38.8	Very low	126 Å²	126	119.4 Å²	119.4	77%	0.773	76%	0.761	S	S	*	*			trans	77.9	110.3	143.2	17.5	0	0	0	0	126.3
439	A	32.2	Very low	36.8	Very low	94 Å²	94	121.6 Å²	121.6	78%	0.777	78%	0.779	S	S	*	*			trans	59.8	171.4	143.2	0	0	0	0	0	122.1
440	P	49	Very low	35.7	Very low	112 Å²	112	125.3 Å²	125.3	73%	0.727	79%	0.793	S	S	*	*				-134	177.2	-51.4	39.5	-23.2	0	0	0	116.7
441	S	30.9	Very low	35.5	Very low	108 Å²	108	126.3 Å²	126.3	76%	0.755	80%	0.795	S	S	*	*			trans	66.8	120.4	150.4	58.6	0	0	0	0	125.7
442	L	35.2	Very low	35.8	Very low	170 Å²	170	122.8 Å²	122.8	89%	0.89	79%	0.787	S	S	*	*			trans	53.7	130.2	139.8	-118.9	80.4	0	0	0	124.9
443	S	25.2	Very low	35.9	Very low	122 Å²	122	123.9 Å²	123.9	85%	0.853	80%	0.795	S	S	*	*			trans	-175.8	159.9	137.3	-82.6	0	0	0	0	114.2
444	T	32.3	Very low	35.8	Very low	136 Å²	136	123.3 Å²	123.3	83%	0.834	79%	0.793	S	S	*	*			trans	-110	-156	177.1	55.2	0	0	0	0	109.9
445	P	48	Very low	36.2	Very low	110 Å²	110	120.3 Å²	120.3	71%	0.714	78%	0.784	S	S	*	*			cis	-140.8	-167.6	-7.1	44.4	-25.5	0	0	0	115.6
446	S	25.2	Very low	35	Very low	120 Å²	120	123.1 Å²	123.1	84%	0.839	79%	0.787	S	S	*	*			trans	-168.4	131.1	147.9	-82	0	0	0	0	114
447	T	33.3	Very low	35	Very low	138 Å²	138	122.6 Å²	122.6	85%	0.847	78%	0.778	S	S	*	*			trans	-161.1	-175.2	176.2	63.4	0	0	0	0	109.1
448	P	53.4	Low	34.8	Very low	118 Å²	118	122.2 Å²	122.2	77%	0.766	78%	0.775	S	S	*	*			cis	-132.4	-163.6	-10.8	43.6	-26.4	0	0	0	113.7
449	S	21.9	Very low	34.6	Very low	121 Å²	121	121 Å²	121	85%	0.846	78%	0.778	S	S	*	*			trans	-151.8	173.3	153.1	-160.1	0	0	0	0	112.8
450	L	34.7	Very low	34.4	Very low	157 Å²	157	120 Å²	120	82%	0.822	78%	0.776	S	S	*	*			trans	-110	162.6	-159	-65	158.9	0	0	0	113.5
451	T	26.7	Very low	34.4	Very low	139 Å²	139	119.8 Å²	119.8	85%	0.853	78%	0.775	S	S	*	*				-175.1	171.5	71.5	-45.7	0	0	0	0	111.4
452	A	34.5	Very low	34.3	Very low	85 Å²	85	120.7 Å²	120.7	70%	0.702	78%	0.776	S	S	*	*			trans	-133.1	-161	-176.4	0	0	0	0	0	111.3
453	P	59.2	Low	35	Very low	121 Å²	121	118.5 Å²	118.5	79%	0.786	77%	0.772	S	S	*	*			cis	-141.4	-178.4	-7.8	42.6	-23.7	0	0	0	117
454	N	29.3	Very low	35.2	Very low	140 Å²	140	117.1 Å²	117.1	75%	0.749	77%	0.768	S	S	*	*				149.5	124.4	115.5	-165.4	24.9	0	0	0	116.8
455	S	38.1	Very low	35.1	Very low	88 Å²	88	116.1 Å²	116.1	62%	0.615	77%	0.766	S	S	*	*			trans	38	137.5	153.1	-58.2	0	0	0	0	121.8
456	Q	31.1	Very low	34.1	Very low	173 Å²	173	115.9 Å²	115.9	81%	0.808	77%	0.768	S	S	*	*			cis	-159.7	-165.9	12.7	-124.7	174.8	-103.9	0	0	108.6
457	S	30.5	Very low	34.2	Very low	87 Å²	87	118.2 Å²	118.2	61%	0.608	77%	0.77	S	S	*	*			cis	-158.8	169	11.3	-147.2	0	0	0	0	114.3
458	S	29.2	Very low	33.8	Very low	102 Å²	102	114.9 Å²	114.9	71%	0.713	76%	0.762	S	S	*	*			trans	3.3	115.5	161.6	58.8	0	0	0	0	124.5
459	A	27.2	Very low	32.7	Very low	101 Å²	101	117.9 Å²	117.9	84%	0.835	77%	0.771	S	S	*	*				55	140.3	123.4	0	0	0	0	0	122
460	G	26.6	Very low	32.8	Very low	71 Å²	71	115.6 Å²	115.6	73%	0.732	77%	0.767	S	S	*	*			cis	88.1	157.8	3.2	0	0	0	0	0	115.3
461	P	50.1	Low	32.4	Very low	109 Å²	109	117 Å²	117	71%	0.708	77%	0.774	S	S	*	*			cis	-121	167.8	-11.5	41.9	-26.2	0	0	0	113.1
462	T	28.8	Very low	32.3	Very low	126 Å²	126	114.1 Å²	114.1	77%	0.773	77%	0.772	S	S	*	*				45.3	163.7	88.3	104.3	0	0	0	0	116.1
463	P	50.8	Low	32	Very low	125 Å²	125	117.6 Å²	117.6	81%	0.812	78%	0.778	S	S	*	*			cis	-108.2	-151.2	8.3	31.9	-9.5	0	0	0	111.2
464	A	28.8	Very low	30.4	Very low	92 Å²	92	118.5 Å²	118.5	76%	0.76	78%	0.776	S	S	*	*			cis	-155.7	-170.4	11.9	0	0	0	0	0	113
465	S	29.4	Very low	30.4	Very low	115 Å²	115	118.7 Å²	118.7	80%	0.804	78%	0.776	S	S	*	*			trans	-145.3	162.5	-164.8	-32.2	0	0	0	0	113.2
466	S	26.5	Very low	29.9	Very low	106 Å²	106	124.7 Å²	124.7	74%	0.741	79%	0.785	S	S	*	*				160.2	155.6	112.2	67.9	0	0	0	0	115.5
467	L	29	Very low	29.8	Very low	169 Å²	169	125 Å²	125	89%	0.885	78%	0.784	S	S	*	*			trans	57.7	125.1	153.5	-65.2	168.9	0	0	0	121.7
468	G	25	Very low	29.6	Very low	67 Å²	67	124.6 Å²	124.6	69%	0.691	79%	0.793	S	S	*	*				116.8	107.1	106.8	0	0	0	0	0	119.9
469	L	28.6	Very low	29.4	Very low	181 Å²	181	122.7 Å²	122.7	95%	0.948	79%	0.79	S	S	*	*			trans	41.3	101.8	140.6	-60.7	174.3	0	0	0	120.4
470	G	24.7	Very low	29.7	Very low	73 Å²	73	126.6 Å²	126.6	75%	0.753	79%	0.793	S	S	*	*				90.3	147.7	112.8	0	0	0	0	0	120.9
471	L	26.8	Very low	29.8	Very low	187 Å²	187	129.4 Å²	129.4	98%	0.979	80%	0.801	S	S	*	*			trans	64.1	156	166.5	-56.3	176.2	0	0	0	117.7
472	G	24.6	Very low	28.8	Very low	78 Å²	78	127.4 Å²	127.4	80%	0.804	80%	0.801	S	S	*	*			trans	115.8	78.9	149.3	0	0	0	0	0	116.7
473	L	28.8	Very low	28.8	Very low	159 Å²	159	128.1 Å²	128.1	83%	0.832	81%	0.805	S	S	*	*			trans	-21.5	148.5	154.1	-76.3	156.6	0	0	0	118.4
474	D	25.7	Very low	27.9	Very low	139 Å²	139	127.1 Å²	127.1	74%	0.743	80%	0.801	S	S	*	*			trans	90.9	158	137.7	-88.5	-49.8	0	0	0	122.9
475	L	28.5	Very low	27.8	Very low	144 Å²	144	128.7 Å²	128.7	75%	0.754	81%	0.807	S	S	*	*			trans	89.6	67.7	157.8	-107.9	67.7	0	0	0	121.9
476	R	27.6	Very low	27.9	Very low	214 Å²	214	127.6 Å²	127.6	81%	0.808	80%	0.804	S	S	*	*				56.3	125.2	102.5	-166.8	-138.4	-162.8	177.3	9	119.4
477	K	29.9	Very low	28	Very low	181 Å²	181	129.1 Å²	129.1	79%	0.787	80%	0.804	S	S	*	*				122.3	118.6	126	-161	-178.7	179.9	-171.3	0	119.3
478	G	24.4	Very low	28	Very low	77 Å²	77	128.9 Å²	128.9	79%	0.794	80%	0.798	S	S	*	*			trans	78.8	162.1	152.7	0	0	0	0	0	116.4
479	G	25.6	Very low	28.1	Very low	63 Å²	63	133 Å²	133	65%	0.649	80%	0.802	S	S	*	*			cis	-169.3	143.4	-6.9	0	0	0	0	0	109.9
480	M	33	Very low	29.1	Very low	182 Å²	182	130.1 Å²	130.1	90%	0.897	79%	0.794	S	S	*	*				89.7	123.6	86.7	-71.1	155.7	58	0	0	115.4
481	S	29.3	Very low	29.1	Very low	130 Å²	130	131.3 Å²	131.3	91%	0.909	79%	0.791	S	S	*	*			trans	72.4	143.8	174.8	-152.9	0	0	0	0	116.2
482	G	28.5	Very low	29.2	Very low	67 Å²	67	130.9 Å²	130.9	69%	0.691	79%	0.788	S	S	*	*			cis	-164.3	-159.5	0.7	0	0	0	0	0	109.9
483	T	29.1	Very low	29.3	Very low	141 Å²	141	130.9 Å²	130.9	87%	0.865	79%	0.788	S	S	*	*			cis	-138	-105.8	3.2	57.8	0	0	0	0	113
484	S	31.6	Very low	29.3	Very low	104 Å²	104	131.9 Å²	131.9	73%	0.727	79%	0.793	S	S	*	*			trans	-168	150.6	-164.1	59.4	0	0	0	0	119.3
485	S	27.3	Very low	29.4	Very low	126 Å²	126	130.1 Å²	130.1	88%	0.881	80%	0.798	S	S	*	*			trans	-178.4	165.5	158.5	-81.9	0	0	0	0	109.4
486	A	32.3	Very low	29.3	Very low	91 Å²	91	126.3 Å²	126.3	75%	0.752	79%	0.793	S	S	*	*			cis	-169.7	-179.7	-26.7	0	0	0	0	0	106.9
487	N	27.6	Very low	29.4	Very low	138 Å²	138	125.2 Å²	125.2	74%	0.738	80%	0.797	S	S	*	*			cis	-149.4	-111.8	5.1	-159.8	-3.6	0	0	0	114
488	Q	30.1	Very low	29.2	Very low	164 Å²	164	120.5 Å²	120.5	77%	0.766	79%	0.787	S	S	*	*			trans	-135	144.6	-167.1	-77.9	162.3	71.8	0	0	111.5
489	M	27.5	Very low	29.4	Very low	155 Å²	155	123.2 Å²	123.2	76%	0.764	79%	0.788	S	S	*	*			cis	88.9	156.4	48.1	-75.2	-71.6	-75.7	0	0	114.1
490	P	47.7	Very low	30.2	Very low	119 Å²	119	125.3 Å²	125.3	77%	0.773	79%	0.791	S	S	*	*			cis	-127.7	-134.1	11.4	42.9	-23.4	0	0	0	114.2
491	S	26.5	Very low	30	Very low	99 Å²	99	123.6 Å²	123.6	69%	0.692	78%	0.784	S	S	*	*				-156.2	-168.5	-88.1	-169.7	0	0	0	0	112.4
492	L	27.4	Very low	29.8	Very low	178 Å²	178	124 Å²	124	93%	0.932	78%	0.776	S	S	*	*			trans	83.9	150.8	179.3	-51.6	172.8	0	0	0	116.9
493	G	26.8	Very low	29.8	Very low	77 Å²	77	125.9 Å²	125.9	79%	0.794	77%	0.774	S	S	*	*			cis	-163.8	-173.2	3	0	0	0	0	0	113.1
494	L	30.2	Very low	29.7	Very low	181 Å²	181	127.6 Å²	127.6	95%	0.948	78%	0.775	S	S	*	*			trans	-137.5	166.1	-156.4	-159.2	72.1	0	0	0	118
495	A	28	Very low	29.4	Very low	101 Å²	101	127.8 Å²	127.8	84%	0.835	78%	0.783	S	S	*	*			trans	92.9	151.8	161.4	0	0	0	0	0	119.4
496	G	26	Very low	29.2	Very low	64 Å²	64	125 Å²	125	66%	0.66	77%	0.774	S	S	*	*			cis	165.7	159.5	-11.2	0	0	0	0	0	115.3
497	H	28.3	Very low	28.9	Very low	192 Å²	192	129 Å²	129	89%	0.889	78%	0.782	S	S	*	*			trans	52.3	158.5	155.7	-70.3	-98.9	0	0	0	123.1
498	S	26.4	Very low	29	Very low	82 Å²	82	129.9 Å²	129.9	57%	0.573	79%	0.785	S	S	*	*			cis	-178.2	140.5	-33	56.7	0	0	0	0	114.1
499	T	27.9	Very low	28.9	Very low	134 Å²	134	131.2 Å²	131.2	82%	0.822	79%	0.791	S	S	*	*			trans	67.5	174.4	161.3	66.7	0	0	0	0	118.2
500	P	43.9	Very low	28.8	Very low	107 Å²	107	127 Å²	127	70%	0.695	79%	0.788	S	S	*	*			cis	-150.3	179.8	12.3	47.9	-27.7	0	0	0	122
501	L	27.2	Very low	28	Very low	146 Å²	146	126.4 Å²	126.4	76%	0.764	79%	0.786	S	S	*	*			trans	84.6	122.4	143.2	-79	160.4	0	0	0	127.3
502	N	26.7	Very low	28.2	Very low	138 Å²	138	128 Å²	128	74%	0.738	79%	0.792	S	S	*	*				97.4	118.4	126.2	-91.8	5.9	0	0	0	128.7
503	T	28.1	Very low	28.3	Very low	107 Å²	107	124.4 Å²	124.4	66%	0.656	78%	0.782	S	S	*	*				90.1	110.5	119.1	-57.3	0	0	0	0	126.4
504	M	26	Very low	28.5	Very low	177 Å²	177	125 Å²	125	87%	0.872	78%	0.779	S	S	*	*			trans	34.5	139.2	136.5	-55.7	-173.5	-174.7	0	0	127
505	A	24.8	Very low	28.4	Very low	108 Å²	108	122.9 Å²	122.9	89%	0.893	77%	0.768	S	S	*	*			trans	65.6	155.7	143	0	0	0	0	0	121.2
506	G	24.8	Very low	28.4	Very low	68 Å²	68	128 Å²	128	70%	0.701	77%	0.767	S	S	*	*			cis	167.9	150.4	-13.5	0	0	0	0	0	116.4
507	L	25.6	Very low	28.9	Very low	174 Å²	174	128.1 Å²	128.1	91%	0.911	76%	0.762	S	S	*	*			trans	71.3	154.8	155.9	-56.4	175.5	0	0	0	124.3
508	I	29.3	Very low	29.1	Very low	156 Å²	156	127.8 Å²	127.8	80%	0.8	76%	0.76	S	S	*	*			trans	80.3	75.8	159.1	-38.4	-162.9	0	0	0	122.2
509	Q	27.4	Very low	29.4	Very low	192 Å²	192	127.8 Å²	127.8	90%	0.897	77%	0.766	S	S	*	*				20.1	133.9	112.4	-174.4	170.6	-12.7	0	0	124.2
510	G	25.4	Very low	29.7	Very low	68 Å²	68	125.5 Å²	125.5	70%	0.701	76%	0.76	S	S	*	*			trans	145.9	152.4	147.6	0	0	0	0	0	115.1
511	S	31.2	Very low	29	Very low	106 Å²	106	124.9 Å²	124.9	74%	0.741	76%	0.764	S	S	*	*			cis	-168.4	137.9	-13.9	-81.1	0	0	0	0	112.1
512	T	30.2	Very low	29.2	Very low	132 Å²	132	123.5 Å²	123.5	81%	0.81	77%	0.766	S	S	*	*			trans	59.4	151.2	151	57.7	0	0	0	0	120
513	S	30	Very low	29.2	Very low	103 Å²	103	121 Å²	121	72%	0.72	77%	0.773	S	S	*	*			cis	-153	142.1	26.5	-43.7	0	0	0	0	111.7
514	A	30.3	Very low	29.2	Very low	88 Å²	88	119.3 Å²	119.3	73%	0.727	78%	0.778	S	S	*	*				79.2	151.4	102	0	0	0	0	0	116.8
515	L	29.3	Very low	29.4	Very low	138 Å²	138	119.8 Å²	119.8	72%	0.723	78%	0.782	S	S	*	*			cis	-168.1	144	-13.7	-106.4	169.4	0	0	0	106.4
516	Y	27.5	Very low	29.5	Very low	208 Å²	208	118.3 Å²	118.3	82%	0.816	78%	0.778	S	S	*	*				-171.6	132.8	73.6	-104	-102.6	0	0	0	106.1
517	A	36.1	Very low	29.7	Very low	67 Å²	67	123.3 Å²	123.3	55%	0.554	79%	0.788	S	S	*	*				85.7	106.7	62.3	0	0	0	0	0	114.1
518	H	32.3	Very low	29.8	Very low	184 Å²	184	121.2 Å²	121.2	85%	0.852	79%	0.788	S	S	*	*				90.5	159.1	91.4	-97.5	-94.5	0	0	0	113.9
519	A	34.2	Very low	29.7	Very low	83 Å²	83	118.8 Å²	118.8	69%	0.686	79%	0.785	S	S	*	*			cis	-144.4	149.9	15.5	0	0	0	0	0	111.3
520	A	32.8	Very low	29.7	Very low	85 Å²	85	115.1 Å²	115.1	70%	0.702	78%	0.776	S	S	*	*				73.7	159.5	80.2	0	0	0	0	0	114.8
521	A	29.1	Very low	29.8	Very low	94 Å²	94	117.5 Å²	117.5	78%	0.777	78%	0.776	S	S	*	*			cis	-158.2	-167.7	17.3	0	0	0	0	0	111.8
522	S	32.1	Very low	29.6	Very low	117 Å²	117	120.5 Å²	120.5	82%	0.818	78%	0.779	S	S	*	*				-175.3	154.1	-63.5	-76.1	0	0	0	0	111.1
523	G	27.3	Very low	29.4	Very low	85 Å²	85	118.2 Å²	118.2	88%	0.876	77%	0.768	S	S	*	*			trans	108.6	147.7	159.2	0	0	0	0	0	117
524	G	28.2	Very low	29.3	Very low	73 Å²	73	118.4 Å²	118.4	75%	0.753	77%	0.769	S	S	*	*			cis	178.9	134.5	-8.3	0	0	0	0	0	116.1
525	L	30	Very low	29.2	Very low	186 Å²	186	121.9 Å²	121.9	97%	0.974	77%	0.774	S	S	*	*			trans	32.2	134.3	151	-53.3	178.6	0	0	0	122.9
526	G	25.8	Very low	29.4	Very low	78 Å²	78	123 Å²	123	80%	0.804	78%	0.78	S	S	*	*			trans	178	134	156.3	0	0	0	0	0	114.8
527	L	30	Very low	29.9	Very low	173 Å²	173	118.4 Å²	118.4	91%	0.906	78%	0.776	S	S	*	*			trans	-108.2	139.8	170.1	-87.2	77.6	0	0	0	110.6
528	S	27.7	Very low	29.3	Very low	129 Å²	129	123.4 Å²	123.4	90%	0.902	79%	0.787	S	S	*	*			trans	173.9	165	135.7	39.6	0	0	0	0	111.4
529	S	27.2	Very low	29.1	Very low	106 Å²	106	119.1 Å²	119.1	74%	0.741	78%	0.778	S	S	*	*			trans	-102.4	159	177	51.8	0	0	0	0	111.9
530	T	27.4	Very low	28.8	Very low	115 Å²	115	119.9 Å²	119.9	71%	0.706	78%	0.779	S	S	*	*			trans	146.2	114.3	134.6	-61.9	0	0	0	0	114
531	T	27.1	Very low	28.4	Very low	117 Å²	117	122.4 Å²	122.4	72%	0.718	79%	0.786	S	S	*	*			trans	58.7	149.2	157.2	62.2	0	0	0	0	123.9
532	Q	26.9	Very low	28.4	Very low	169 Å²	169	122.7 Å²	122.7	79%	0.79	78%	0.782	S	S	*	*			trans	80.8	101	143	-90.7	-178.8	88.5	0	0	121.5
533	S	26.8	Very low	28.3	Very low	85 Å²	85	124 Å²	124	59%	0.594	78%	0.778	S	S	*	*				53.6	109.9	120.2	64	0	0	0	0	121.8
534	S	26.9	Very low	28.2	Very low	106 Å²	106	124.9 Å²	124.9	74%	0.741	77%	0.771	S	S	*	*				82.2	152.7	118.3	-54.9	0	0	0	0	121.4
535	I	28	Very low	28	Very low	161 Å²	161	127.9 Å²	127.9	83%	0.826	77%	0.769	S	S	*	*			trans	83.2	118.3	157.2	-66.4	150.2	0	0	0	117.6
536	L	33.5	Very low	28.1	Very low	163 Å²	163	123.1 Å²	123.1	85%	0.853	75%	0.752	S	S	*	*			trans	-69.2	151.4	160.2	-68.7	157	0	0	0	110.1
537	P	38.7	Very low	28.1	Very low	110 Å²	110	124 Å²	124	71%	0.714	75%	0.746	S	S	*	*				-148	149.8	110.8	36.7	-21.2	0	0	0	116.9
538	E	23.6	Very low	28.1	Very low	172 Å²	172	121.1 Å²	121.1	80%	0.804	74%	0.74	S	S	*	*			trans	41.6	120.2	135.4	-62.2	-159.7	75.6	0	0	123.9
539	S	27.5	Very low	28.3	Very low	94 Å²	94	120.4 Å²	120.4	66%	0.657	74%	0.735	S	S	*	*				60.6	119	114.9	-45.3	0	0	0	0	121.3
540	S	27.6	Very low	28.2	Very low	100 Å²	100	118.9 Å²	118.9	70%	0.699	74%	0.736	S	S	*	*				156.2	142.2	105.5	-69.9	0	0	0	0	115.4
541	T	26	Very low	28.2	Very low	138 Å²	138	119.8 Å²	119.8	85%	0.847	74%	0.741	S	S	*	*			trans	61.9	153.9	149.3	51	0	0	0	0	119.1
542	S	28.3	Very low	28.3	Very low	99 Å²	99	119.8 Å²	119.8	69%	0.692	74%	0.741	S	S	*	*			cis	-167.1	-168.9	-4.5	41.6	0	0	0	0	107.6
543	I	28.8	Very low	28.4	Very low	146 Å²	146	118.7 Å²	118.7	75%	0.749	75%	0.746	S	S	*	*			cis	-155.8	146.8	10.3	-21.6	149.5	0	0	0	109.6
544	S	25.7	Very low	28.3	Very low	102 Å²	102	123 Å²	123	71%	0.713	76%	0.762	S	S	*	*			trans	59.3	164.7	147.6	-82.1	0	0	0	0	120.7
545	N	25.5	Very low	28.2	Very low	136 Å²	136	121.3 Å²	121.3	73%	0.727	76%	0.762	S	S	*	*			cis	-151.5	159.3	4.5	-136.1	19.2	0	0	0	114.7
546	S	30.6	Very low	28.3	Very low	87 Å²	87	119 Å²	119	61%	0.608	77%	0.767	S	S	*	*			trans	18.6	150.4	139.6	67.1	0	0	0	0	123.1
547	S	25.8	Very low	28	Very low	96 Å²	96	114.5 Å²	114.5	67%	0.671	76%	0.76	S	S	*	*			cis	173.4	143.7	-7.4	50.6	0	0	0	0	113.6
548	S	31.5	Very low	27.6	Very low	112 Å²	112	115.4 Å²	115.4	78%	0.783	77%	0.769	S	S	*	*			trans	64.4	166.3	147	83.7	0	0	0	0	119.2
549	S	30.9	Very low	27.6	Very low	114 Å²	114	110.7 Å²	110.7	80%	0.797	77%	0.766	S	S	*	*			cis	-166.6	144.5	-5.9	-127.8	0	0	0	0	112.7
550	G	25.9	Very low	27.6	Very low	74 Å²	74	113.8 Å²	113.8	76%	0.763	78%	0.775	S	S	*	*			trans	54	-174.5	153	0	0	0	0	0	120.7
551	V	27.5	Very low	27.4	Very low	134 Å²	134	113.9 Å²	113.9	81%	0.812	78%	0.776	S	S	*	*			cis	-165.4	149.6	-28.2	124.1	0	0	0	0	109
552	T	28.5	Very low	27.5	Very low	118 Å²	118	114.1 Å²	114.1	72%	0.724	77%	0.771	S	S	*	*			trans	-5.3	146.8	172.4	63.9	0	0	0	0	122.8
553	T	28	Very low	27.3	Very low	146 Å²	146	117.3 Å²	117.3	90%	0.896	78%	0.779	S	S	*	*				-170.9	163.7	120.6	16.3	0	0	0	0	113.9
554	N	26.1	Very low	27	Very low	174 Å²	174	113.6 Å²	113.6	93%	0.93	78%	0.777	S	S	*	*			trans	-99.7	163.8	-179.3	-69.8	-26.8	0	0	0	113.3
555	G	25	Very low	27	Very low	71 Å²	71	114.5 Å²	114.5	73%	0.732	78%	0.783	S	S	*	*				138.5	119.7	120.9	0	0	0	0	0	120.6
556	A	29.1	Very low	27	Very low	113 Å²	113	113.7 Å²	113.7	93%	0.934	79%	0.788	S	S	*	*			trans	63.1	157	155.8	0	0	0	0	0	118.8
557	G	27.7	Very low	27.8	Very low	69 Å²	69	115.6 Å²	115.6	71%	0.711	80%	0.799	S	S	*	*			cis	152.1	165.2	1.5	0	0	0	0	0	109.2
558	S	29.1	Very low	27.8	Very low	129 Å²	129	114.7 Å²	114.7	90%	0.902	80%	0.797	S	S	*	*			cis	-162.6	175	-4.5	-68.6	0	0	0	0	106.6
559	G	24.7	Very low	27.6	Very low	72 Å²	72	117.1 Å²	117.1	74%	0.742	80%	0.795	S	S	*	*			cis	-155	-120.8	10.2	0	0	0	0	0	109.5
560	L	26.7	Very low	27.3	Very low	159 Å²	159	118.1 Å²	118.1	83%	0.832	79%	0.792	S	S	*	*			cis	-171.6	149.3	-5	-125.8	174.3	0	0	0	108.4
561	S	24.1	Very low	27.3	Very low	103 Å²	103	119.4 Å²	119.4	72%	0.72	79%	0.789	S	S	*	*			trans	66.3	162.9	162	-67.3	0	0	0	0	119.7
562	L	27	Very low	27.4	Very low	143 Å²	143	119.7 Å²	119.7	75%	0.749	79%	0.785	S	S	*	*			cis	-172.4	139.5	-29.2	179	64.2	0	0	0	110.9
563	L	25.3	Very low	27.4	Very low	166 Å²	166	120.6 Å²	120.6	87%	0.869	79%	0.791	S	S	*	*			trans	60.1	125.6	161.3	-76.5	165.5	0	0	0	122.8
564	G	22	Very low	27.4	Very low	67 Å²	67	116.8 Å²	116.8	69%	0.691	78%	0.781	S	S	*	*			trans	145.6	163.9	156.5	0	0	0	0	0	114.1
565	S	27	Very low	27.6	Very low	121 Å²	121	114.1 Å²	114.1	85%	0.846	78%	0.775	S	S	*	*			cis	-165.4	155.4	-19.5	-86.6	0	0	0	0	111
566	S	23.7	Very low	28	Very low	119 Å²	119	117.5 Å²	117.5	83%	0.832	78%	0.775	S	S	*	*			trans	-157.3	-161.4	168.7	-39.6	0	0	0	0	108.3
567	P	47.8	Very low	28	Very low	128 Å²	128	120 Å²	120	83%	0.831	77%	0.772	S	S	*	*			cis	-99.3	-147.9	3.7	30	-8.5	0	0	0	110.9
568	A	26.1	Very low	27.9	Very low	77 Å²	77	119.7 Å²	119.7	64%	0.636	77%	0.769	S	S	*	*			cis	-159.2	-164.2	8.4	0	0	0	0	0	109.4
569	H	27.1	Very low	27.8	Very low	162 Å²	162	121.5 Å²	121.5	75%	0.75	77%	0.768	S	S	*	*			cis	-161.3	138.9	1.4	-135	-54.8	0	0	0	109.9
570	N	24.2	Very low	27.8	Very low	136 Å²	136	124.2 Å²	124.2	73%	0.727	77%	0.769	S	S	*	*			trans	59.5	137.2	166.2	-59.2	2.7	0	0	0	117.9
571	S	25.8	Very low	28.8	Very low	101 Å²	101	122.7 Å²	122.7	71%	0.706	77%	0.769	S	S	*	*			cis	75.9	131.4	30.7	-144.5	0	0	0	0	112.9
572	L	30.2	Very low	28.9	Very low	140 Å²	140	121.5 Å²	121.5	73%	0.733	77%	0.773	S	S	*	*			cis	-146.3	168	23.3	-84.2	90.6	0	0	0	113.7
573	T	28.7	Very low	29	Very low	137 Å²	137	123.9 Å²	123.9	84%	0.84	78%	0.78	S	S	*	*			trans	61.3	149.8	147.5	46.5	0	0	0	0	121.8
574	G	28.5	Very low	29	Very low	66 Å²	66	121.1 Å²	121.1	68%	0.68	78%	0.775	S	S	*	*			cis	142.1	142	-13.5	0	0	0	0	0	116.2
575	S	30.2	Very low	29.2	Very low	117 Å²	117	124.4 Å²	124.4	82%	0.818	78%	0.782	S	S	*	*			trans	73.5	152.6	159.7	-62.5	0	0	0	0	118.4
576	I	32.5	Very low	29.2	Very low	142 Å²	142	122.7 Å²	122.7	73%	0.728	77%	0.774	S	S	*	*			cis	-160.4	154.6	-1.3	-119.7	168.7	0	0	0	112.2
577	L	30.6	Very low	30.3	Very low	166 Å²	166	122.8 Å²	122.8	87%	0.869	77%	0.772	S	S	*	*			trans	24.6	154.7	155.4	-50	170.4	0	0	0	122.7
578	G	24.6	Very low	29.3	Very low	62 Å²	62	120.4 Å²	120.4	64%	0.639	76%	0.764	S	S	*	*			cis	158.6	174.5	-1.8	0	0	0	0	0	113.5
579	L	26.4	Very low	29.3	Very low	168 Å²	168	123 Å²	123	88%	0.88	77%	0.772	S	S	*	*			trans	72	133.8	171.5	-53.7	166.8	0	0	0	117.5
580	V	25.9	Very low	29.4	Very low	128 Å²	128	120.2 Å²	120.2	78%	0.776	77%	0.771	S	S	*	*			cis	82.4	132.1	32.4	176	0	0	0	0	113.7
581	P	47	Very low	29.5	Very low	127 Å²	127	122.3 Å²	122.3	83%	0.825	78%	0.776	S	S	*	*			cis	-135.2	-166.7	-21.4	39.4	-19.9	0	0	0	114.2
582	G	25.7	Very low	29.8	Very low	79 Å²	79	123.9 Å²	123.9	81%	0.814	78%	0.781	S	S	*	*			trans	-173.2	146.7	167.4	0	0	0	0	0	115.8
583	Q	29.8	Very low	30.7	Very low	192 Å²	192	122.7 Å²	122.7	90%	0.897	78%	0.781	S	S	*	*			trans	-107.7	139.9	-166.7	-69.1	-178.8	-1.5	0	0	116.4
584	S	25.9	Very low	31.6	Very low	108 Å²	108	121.7 Å²	121.7	76%	0.755	78%	0.778	S	S	*	*				60.9	168.6	126	-153.3	0	0	0	0	123.4
585	V	26.6	Very low	31.9	Very low	137 Å²	137	124 Å²	124	83%	0.83	78%	0.783	S	S	*	*			trans	87.5	139.3	165.5	-170.9	0	0	0	0	118.3
586	A	26.2	Very low	32.6	Very low	84 Å²	84	124.6 Å²	124.6	69%	0.694	78%	0.784	S	S	*	*			trans	-136.2	-176.1	173.8	0	0	0	0	0	107.6
587	P	47.7	Very low	32.6	Very low	121 Å²	121	122.7 Å²	122.7	79%	0.786	79%	0.789	S	S	*	*			cis	-139.6	-159.8	3.2	39.5	-16.9	0	0	0	114.7
588	A	25.6	Very low	32.5	Very low	79 Å²	79	120.3 Å²	120.3	65%	0.653	79%	0.787	S	S	*	*			trans	92.4	118.8	143.4	0	0	0	0	0	123.7
589	T	26.7	Very low	32.8	Very low	132 Å²	132	123.4 Å²	123.4	81%	0.81	80%	0.799	S	S	*	*			trans	70.4	125.9	131.7	55.5	0	0	0	0	125.3
590	S	27.9	Very low	33.3	Very low	103 Å²	103	120 Å²	120	72%	0.72	79%	0.794	S	S	*	*			trans	84.2	121.4	136.2	-67.6	0	0	0	0	124.4
591	Q	26.4	Very low	34.4	Very low	180 Å²	180	120 Å²	120	84%	0.841	80%	0.797	S	S	*	*			trans	59	103.1	136.7	-62.3	-178.5	-14.1	0	0	122.2
592	V	32.2	Very low	33.6	Very low	134 Å²	134	117.2 Å²	117.2	81%	0.812	79%	0.792	S	S	*	*				25.3	141.4	108.1	-177.4	0	0	0	0	118.1
593	P	50.3	Low	34	Very low	114 Å²	114	118.1 Å²	118.1	74%	0.74	79%	0.786	S	S	*	*			cis	-122.6	-145.7	-4.2	39.9	-19.6	0	0	0	110.5
594	P	46.4	Very low	34.1	Very low	117 Å²	117	116 Å²	116	76%	0.76	79%	0.785	S	S	*	*			cis	-133.6	-174.9	-12.8	42.9	-24.6	0	0	0	116.4
595	S	35.8	Very low	34.2	Very low	113 Å²	113	115.5 Å²	115.5	79%	0.79	78%	0.782	S	S	*	*			trans	-95.5	163	173.8	-38.1	0	0	0	0	113.9
596	P	45.3	Very low	34.4	Very low	130 Å²	130	117.7 Å²	117.7	84%	0.844	79%	0.785	S	S	*	*			trans	-117.6	171.2	148.2	36.9	-27.3	0	0	0	112.7
597	A	31.9	Very low	34.6	Very low	102 Å²	102	122.2 Å²	122.2	84%	0.843	79%	0.794	S	S	*	*			trans	-148.3	167.5	-172.2	0	0	0	0	0	113
598	S	29.1	Very low	33.7	Very low	116 Å²	116	123.3 Å²	123.3	81%	0.811	80%	0.798	S	S	*	*			trans	-168.2	119.8	160.6	50.6	0	0	0	0	115.5
599	S	30.5	Very low	33.9	Very low	127 Å²	127	122.7 Å²	122.7	89%	0.888	80%	0.8	S	S	*	*				165.5	130.7	128.8	63.4	0	0	0	0	112
600	A	35.6	Very low	34.1	Very low	96 Å²	96	124.8 Å²	124.8	79%	0.793	81%	0.806	S	S	*	*			trans	-155.2	-170.4	179.7	0	0	0	0	0	109
601	P	50.3	Low	34	Very low	129 Å²	129	123.5 Å²	123.5	84%	0.838	81%	0.809	S	S	*	*			cis	-94.1	-147.9	7.2	44.7	-39.9	0	0	0	111.2
602	G	30.6	Very low	34.1	Very low	68 Å²	68	118.5 Å²	118.5	70%	0.701	81%	0.805	S	S	*	*			cis	170	-179.4	5	0	0	0	0	0	111.6
603	S	34.3	Very low	34	Very low	99 Å²	99	118.2 Å²	118.2	69%	0.692	81%	0.81	S	S	*	*			cis	-179.3	138.3	-18.9	47	0	0	0	0	111.7
604	V	30.4	Very low	33.1	Very low	146 Å²	146	117.4 Å²	117.4	89%	0.885	81%	0.813	S	S	*	*			trans	58.3	156.3	165.3	-58.8	0	0	0	0	120.8
605	S	29.1	Very low	32.2	Very low	98 Å²	98	115.7 Å²	115.7	69%	0.685	82%	0.816	S	S	*	*			cis	-172.9	167.4	-40.5	-157.7	0	0	0	0	111.5
606	M	31.1	Very low	32.1	Very low	183 Å²	183	117 Å²	117	90%	0.901	82%	0.818	S	S	*	*			trans	74.4	176.4	159.8	-60.8	-53.9	-170.6	0	0	121.1
607	M	29.6	Very low	31.3	Very low	179 Å²	179	117.1 Å²	117.1	88%	0.882	82%	0.817	S	S	*	*			trans	-147.1	152.6	-152.8	171.3	-172.9	-174.3	0	0	109.5
608	V	28.6	Very low	31.2	Very low	144 Å²	144	115.1 Å²	115.1	87%	0.873	81%	0.806	S	S	*	*			trans	157.5	133.6	149.9	153.7	0	0	0	0	114.2
609	G	29.7	Very low	31.5	Very low	66 Å²	66	115.8 Å²	115.8	68%	0.68	81%	0.805	S	S	*	*				78.1	87.6	122.9	0	0	0	0	0	124.6
610	N	31.6	Very low	31.4	Very low	177 Å²	177	117.4 Å²	117.4	95%	0.947	80%	0.804	S	S	*	*				51	127.7	114.6	-159.9	60.4	0	0	0	124.1
611	G	26.2	Very low	31.2	Very low	76 Å²	76	117.2 Å²	117.2	78%	0.784	80%	0.802	S	S	*	*			trans	107.1	149.8	156	0	0	0	0	0	117
612	G	28	Very low	30.4	Very low	74 Å²	74	115.4 Å²	115.4	76%	0.763	80%	0.798	S	S	*	*			cis	161.4	116.2	-13.1	0	0	0	0	0	116
613	S	30.5	Very low	30.9	Very low	129 Å²	129	118.5 Å²	118.5	90%	0.902	81%	0.806	S	S	*	*			trans	68.9	164.6	163.7	-51.5	0	0	0	0	117.9
614	A	31.5	Very low	30.9	Very low	97 Å²	97	118.2 Å²	118.2	80%	0.802	81%	0.81	S	S	*	*			cis	-152.7	147.8	8.8	0	0	0	0	0	115.5
615	G	27.2	Very low	31	Very low	80 Å²	80	122.9 Å²	122.9	83%	0.825	81%	0.811	S	S	*	*			trans	76.6	162.8	153.6	0	0	0	0	0	119.1
616	V	32.5	Very low	32.2	Very low	140 Å²	140	124 Å²	124	85%	0.848	82%	0.816	S	S	*	*			cis	-175	155.8	-19.6	71	0	0	0	0	105.4
617	V	30	Very low	33.2	Very low	133 Å²	133	121.1 Å²	121.1	81%	0.806	81%	0.811	S	S	*	*			cis	-146.8	165.5	24.5	-161.6	0	0	0	0	106.6
618	G	29	Very low	33.3	Very low	60 Å²	60	118.2 Å²	118.2	62%	0.619	81%	0.808	S	S	*	*			cis	155.7	-145.7	-3.3	0	0	0	0	0	110.7
619	V	34.6	Very low	33.3	Very low	131 Å²	131	114.9 Å²	114.9	79%	0.794	80%	0.804	S	S	*	*			trans	53.2	108.1	177.8	-67.4	0	0	0	0	120.4
620	N	30.1	Very low	33.4	Very low	160 Å²	160	119.7 Å²	119.7	86%	0.856	81%	0.813	S	S	*	*			trans	46.2	143.4	132.7	-59.1	3.3	0	0	0	122
621	A	30.9	Very low	33.3	Very low	92 Å²	92	120.3 Å²	120.3	76%	0.76	81%	0.807	S	S	*	*			cis	-167.1	170.8	-13.4	0	0	0	0	0	109.5
622	A	33.2	Very low	33.5	Very low	92 Å²	92	125 Å²	125	76%	0.76	81%	0.808	S	S	*	*			trans	-78.2	174.2	-179.3	0	0	0	0	0	114.1
623	P	40.2	Very low	33.5	Very low	132 Å²	132	128.7 Å²	128.7	86%	0.857	81%	0.811	S	S	*	*				-142.6	176.5	94.1	40.5	-27.4	0	0	0	116
624	A	35	Very low	33.4	Very low	94 Å²	94	126 Å²	126	78%	0.777	80%	0.803	S	S	*	*			trans	-146	176.8	173	0	0	0	0	0	111.1
625	R	32.6	Very low	33.6	Very low	244 Å²	244	127.1 Å²	127.1	92%	0.921	81%	0.805	S	S	*	*			trans	68	163.7	-170.4	-75.5	178.6	143.9	-165.5	-5.5	114.6
626	P	53.4	Low	34.4	Very low	120 Å²	120	129.5 Å²	129.5	78%	0.779	81%	0.806	S	S	*	*			cis	-109	-146.3	-6.5	43.6	-30.8	0	0	0	110.4
627	P	52.6	Low	34.3	Very low	124 Å²	124	128.1 Å²	128.1	81%	0.805	80%	0.803	S	S	*	*			cis	-129.9	-130.6	-12	41	-19.6	0	0	0	114
628	S	32.3	Very low	34.3	Very low	117 Å²	117	132.8 Å²	132.8	82%	0.818	81%	0.807	S	S	*	*			trans	-167	149.7	-165.5	54.7	0	0	0	0	114.3
629	G	29	Very low	34.6	Very low	75 Å²	75	134.4 Å²	134.4	77%	0.773	81%	0.809	S	S	*	*			trans	111.3	127.2	142.8	0	0	0	0	0	122.9
630	L	30.8	Very low	34.5	Very low	166 Å²	166	132.6 Å²	132.6	87%	0.869	81%	0.808	S	S	*	*			trans	50.1	122.9	139.4	-77.8	163.6	0	0	0	125.8
631	K	30.7	Very low	34.5	Very low	191 Å²	191	131.8 Å²	131.8	83%	0.83	81%	0.809	S	S	*	*			trans	57.5	120	134.9	-105.6	-173.8	177.4	-177.7	0	123.1
632	Q	30	Very low	34.6	Very low	173 Å²	173	134.3 Å²	134.3	81%	0.808	81%	0.814	S	S	*	*				166.3	157.4	115	-96.6	-168.3	-6.1	0	0	116.1
633	N	27.7	Very low	34.2	Very low	153 Å²	153	134.8 Å²	134.8	82%	0.818	82%	0.818	S	S	*	*			trans	60.9	163.7	160.2	-66.7	-0.4	0	0	0	119.6
634	G	29	Very low	33.5	Very low	71 Å²	71	136.6 Å²	136.6	73%	0.732	82%	0.816	S	S	*	*			cis	159.2	139.1	-8.8	0	0	0	0	0	112.8
635	S	34.5	Very low	33.2	Very low	121 Å²	121	136.1 Å²	136.1	85%	0.846	81%	0.806	S	S	*	*			trans	-75.1	167.7	-169.6	-42.5	0	0	0	0	116
636	P	43.8	Very low	32.9	Very low	131 Å²	131	129 Å²	129	85%	0.851	79%	0.794	S	S	*	*				-146.6	178.6	106.5	40.3	-25.6	0	0	0	116
637	S	30.6	Very low	31.8	Very low	111 Å²	111	129.2 Å²	129.2	78%	0.776	79%	0.793	S	S	*	*			trans	-106.2	163.2	-173	-41.2	0	0	0	0	114.9
638	Y	30.6	Very low	30.4	Very low	230 Å²	230	131.3 Å²	131.3	90%	0.902	79%	0.792	S	S	*	*			trans	-150.2	172.2	140.7	-145.8	-101.7	0	0	0	112
639	S	34.3	Very low	30.1	Very low	94 Å²	94	130.4 Å²	130.4	66%	0.657	79%	0.786	S	S	*	*			trans	-136.9	-179.6	-152.9	-51.2	0	0	0	0	115.6
640	A	33.1	Very low	29.9	Very low	94 Å²	94	130.2 Å²	130.2	78%	0.777	78%	0.777	S	S	*	*			trans	85	156.4	161	0	0	0	0	0	116.4
641	V	29.3	Very low	29.6	Very low	143 Å²	143	130.2 Å²	130.2	87%	0.867	78%	0.777	S	S	*	*			cis	-131.7	175.1	19.2	-69.9	0	0	0	0	114.5
642	V	33.7	Very low	29.3	Very low	144 Å²	144	125 Å²	125	87%	0.873	77%	0.765	S	S	*	*			trans	-120.5	147.6	-176.8	-170.9	0	0	0	0	110.1
643	A	24.8	Very low	29	Very low	103 Å²	103	122.5 Å²	122.5	85%	0.851	76%	0.762	S	S	*	*			trans	-155.2	154.1	158	0	0	0	0	0	110.4
644	E	24.8	Very low	29.2	Very low	170 Å²	170	121.2 Å²	121.2	79%	0.794	76%	0.761	S	S	*	*			trans	-146.2	160.1	-169.1	-159.9	-147.3	112.3	0	0	111.4
645	S	28.8	Very low	29.1	Very low	84 Å²	84	123 Å²	123	59%	0.587	76%	0.762	S	S	*	*			trans	80.4	136.9	144.5	-116.3	0	0	0	0	122.7
646	S	27.3	Very low	28.8	Very low	93 Å²	93	125.1 Å²	125.1	65%	0.65	76%	0.759	S	S	*	*				81	100.5	128.5	-65.8	0	0	0	0	122.6
647	T	29.2	Very low	27.9	Very low	125 Å²	125	123.8 Å²	123.8	77%	0.767	75%	0.753	S	S	*	*				59.1	114.7	121.4	59.8	0	0	0	0	122.5
648	E	24.7	Very low	27.8	Very low	169 Å²	169	127 Å²	127	79%	0.79	76%	0.756	S	S	*	*				78.7	147.9	122.5	-147.1	-148.9	97	0	0	120.6
649	S	25.8	Very low	27.5	Very low	97 Å²	97	120.6 Å²	120.6	68%	0.678	75%	0.745	S	S	*	*			trans	67.5	143.5	159.4	-83.6	0	0	0	0	118.1
650	A	24.1	Very low	27.1	Very low	72 Å²	72	121.6 Å²	121.6	60%	0.595	75%	0.751	S	S	*	*			cis	-164.5	177.6	-15	0	0	0	0	0	109.4
651	L	24.8	Very low	26.7	Very low	165 Å²	165	125.3 Å²	125.3	86%	0.864	75%	0.753	S	S	*	*			trans	68.6	158	159.8	-60.2	156.2	0	0	0	115
652	S	24.5	Very low	26.3	Very low	83 Å²	83	124.1 Å²	124.1	58%	0.58	75%	0.746	S	S	*	*			cis	-154.8	151.4	-4.8	-132.3	0	0	0	0	112
653	T	23.8	Very low	26	Very low	120 Å²	120	122.5 Å²	122.5	74%	0.736	74%	0.741	S	S	*	*			trans	33.2	142.7	145.2	61.5	0	0	0	0	121.2
654	P	32.4	Very low	26.2	Very low	125 Å²	125	122.4 Å²	122.4	81%	0.812	73%	0.734	S	S	*	*				-122.5	153.6	96.9	35.5	-34.2	0	0	0	115.3
655	S	27	Very low	26.4	Very low	108 Å²	108	121.8 Å²	121.8	76%	0.755	74%	0.735	S	S	*	*			trans	5.1	146.9	154.2	-55.3	0	0	0	0	122
656	Q	26.6	Very low	26.5	Very low	167 Å²	167	123 Å²	123	78%	0.78	74%	0.744	S	S	*	*			cis	-175.1	124.3	-12.5	175	176.2	91.7	0	0	108.8
657	S	26.5	Very low	26.8	Very low	103 Å²	103	123.7 Å²	123.7	72%	0.72	75%	0.749	S	S	*	*			trans	59.4	158.3	167.4	68.9	0	0	0	0	118.2
658	Q	28.3	Very low	27	Very low	178 Å²	178	122.5 Å²	122.5	83%	0.832	75%	0.746	S	S	*	*			cis	-154.2	147	-24.8	-115	177.6	18.1	0	0	108.3
659	S	24.7	Very low	27.2	Very low	96 Å²	96	120.9 Å²	120.9	67%	0.671	75%	0.747	S	S	*	*			trans	30.1	113.9	157.6	60.6	0	0	0	0	121.6
660	S	24.8	Very low	27.5	Very low	114 Å²	114	121.2 Å²	121.2	80%	0.797	75%	0.75	S	S	*	*			trans	78.4	161.6	136.2	-53.4	0	0	0	0	120.5
661	Q	24.4	Very low	27.8	Very low	173 Å²	173	126.5 Å²	126.5	81%	0.808	76%	0.762	S	S	*	*			trans	76	120.8	177.1	-55.2	-164.5	23.1	0	0	114.8
662	T	22.5	Very low	28.5	Very low	118 Å²	118	123.1 Å²	123.1	72%	0.724	75%	0.75	S	S	*	*			cis	88.5	149.2	39.1	67.3	0	0	0	0	114.5
663	S	26.3	Very low	28.7	Very low	109 Å²	109	127.7 Å²	127.7	76%	0.762	76%	0.764	S	S	*	*			trans	77	150.8	-178.9	-15.3	0	0	0	0	114
664	S	28.6	Very low	29.3	Very low	101 Å²	101	128.4 Å²	128.4	71%	0.706	76%	0.764	S	S	*	*			cis	-166.9	148.9	1.2	23.8	0	0	0	0	114.3
665	L	30.1	Very low	29.2	Very low	157 Å²	157	129.3 Å²	129.3	82%	0.822	76%	0.762	S	S	*	*			trans	72	125.1	144.5	-67.7	163.3	0	0	0	123.1
666	S	30.5	Very low	29.1	Very low	110 Å²	110	127.5 Å²	127.5	77%	0.769	76%	0.76	S	S	*	*			trans	58.3	147.2	147.2	50.3	0	0	0	0	120.4
667	S	33.9	Very low	30.7	Very low	107 Å²	107	125.4 Å²	125.4	75%	0.748	76%	0.761	S	S	*	*			cis	-167.3	149.3	-9.3	45.1	0	0	0	0	106.3
668	S	32.3	Very low	30.7	Very low	101 Å²	101	125.9 Å²	125.9	71%	0.706	76%	0.764	S	S	*	*			cis	-155.6	135.8	38.9	-55.3	0	0	0	0	109.2
669	T	30.2	Very low	30.7	Very low	135 Å²	135	125 Å²	125	83%	0.828	76%	0.764	S	S	*	*				51.4	115.2	94.7	-47.6	0	0	0	0	113.1
670	S	31.4	Very low	30.8	Very low	104 Å²	104	128 Å²	128	73%	0.727	77%	0.771	S	S	*	*			cis	-173.7	160.2	6.3	42.6	0	0	0	0	108.4
671	Q	29.6	Very low	30.8	Very low	182 Å²	182	127.4 Å²	127.4	85%	0.85	77%	0.767	S	S	*	*			cis	-155.8	175.5	0.5	-106.6	-102.2	-39.9	0	0	108.4
672	P	41.1	Very low	30.9	Very low	94 Å²	94	124.7 Å²	124.7	61%	0.61	77%	0.767	S	S	*	*			trans	-117.9	-166.4	-158.3	47.4	-36.5	0	0	0	113.9
673	M	27.7	Very low	31.3	Very low	180 Å²	180	126.6 Å²	126.6	89%	0.887	77%	0.772	S	S	*	*			cis	-152.6	179.1	9.7	-152.2	148	-170.2	0	0	113.6
674	D	35.7	Very low	31.3	Very low	134 Å²	134	128 Å²	128	72%	0.717	78%	0.776	S	S	*	*			trans	-131.3	172.9	-174.3	-160.3	-10.8	0	0	0	111.1
675	N	30.4	Very low	31.3	Very low	145 Å²	145	130.2 Å²	130.2	78%	0.775	78%	0.779	S	S	*	*			trans	82.3	146.2	176.7	-50.3	-81.4	0	0	0	118.7
676	G	24.6	Very low	32	Very low	70 Å²	70	128.2 Å²	128.2	72%	0.722	78%	0.775	S	S	*	*			trans	-109.8	-144.4	158.1	0	0	0	0	0	110.3
677	P	60.8	Low	32.5	Very low	123 Å²	123	128.7 Å²	128.7	80%	0.799	78%	0.775	S	S	*	*			cis	-132.1	166.4	-15.6	40.7	-26.7	0	0	0	113.6
678	S	26.8	Very low	32.2	Very low	113 Å²	113	128.9 Å²	128.9	79%	0.79	78%	0.777	S	S	*	*			trans	-174.3	135.8	151.1	-88.8	0	0	0	0	115.1
679	L	28	Very low	32	Very low	158 Å²	158	129.5 Å²	129.5	83%	0.827	78%	0.781	S	S	*	*			trans	28.4	120.5	144.6	-49.6	176	0	0	0	120.7
680	I	27	Very low	32.4	Very low	160 Å²	160	129 Å²	129	82%	0.821	78%	0.781	S	S	*	*				170.3	134.9	115.6	-89.4	164	0	0	0	113.3
681	S	25.5	Very low	32.1	Very low	101 Å²	101	129.5 Å²	129.5	71%	0.706	78%	0.784	S	S	*	*			trans	38.9	127.5	153.2	-60.5	0	0	0	0	125.4
682	S	26.8	Very low	32.2	Very low	117 Å²	117	126.9 Å²	126.9	82%	0.818	78%	0.783	S	S	*	*				81.3	132.7	127.7	-62.4	0	0	0	0	122.6
683	I	29.7	Very low	31.5	Very low	158 Å²	158	127.5 Å²	127.5	81%	0.81	79%	0.789	S	S	*	*			trans	-82.9	137.6	172.5	-62.8	161	0	0	0	110.4
684	T	25.9	Very low	31.4	Very low	138 Å²	138	128.6 Å²	128.6	85%	0.847	79%	0.789	S	S	*	*			trans	-151.7	134	154	-71.7	0	0	0	0	109.6
685	L	29	Very low	31.1	Very low	147 Å²	147	127.6 Å²	127.6	77%	0.77	79%	0.793	S	S	*	*			trans	-101.1	178.6	170	-61.9	168.8	0	0	0	109
686	P	45.5	Very low	30.9	Very low	116 Å²	116	127.6 Å²	127.6	75%	0.753	79%	0.793	S	S	*	*			cis	-128.2	-142.2	-2.3	44.3	-25.3	0	0	0	109.5
687	P	40.3	Very low	31	Very low	119 Å²	119	129.6 Å²	129.6	77%	0.773	80%	0.796	S	S	*	*			cis	-127	-168	-20	38.1	-18.6	0	0	0	114.2
688	S	27.6	Very low	29.4	Very low	111 Å²	111	129.7 Å²	129.7	78%	0.776	79%	0.794	S	S	*	*			trans	-131.4	174.7	-163.5	-41.7	0	0	0	0	115.1
689	S	27.9	Very low	30.1	Very low	115 Å²	115	130.3 Å²	130.3	80%	0.804	80%	0.795	S	S	*	*			trans	94.3	158.3	163.8	-39.1	0	0	0	0	116.5
690	P	38.3	Very low	30.1	Very low	125 Å²	125	126.6 Å²	126.6	81%	0.812	80%	0.796	S	S	*	*			cis	-127.6	-174.6	4.4	42.2	-26.3	0	0	0	116
691	S	26.7	Very low	30	Very low	113 Å²	113	123.3 Å²	123.3	79%	0.79	80%	0.801	S	S	*	*			trans	-81.9	159.7	-173.9	-44.5	0	0	0	0	115.8
692	P	31.9	Very low	30	Very low	128 Å²	128	122.3 Å²	122.3	83%	0.831	81%	0.807	S	S	*	*			trans	-88.9	166.7	173.3	36.4	-35.5	0	0	0	114.3
693	S	25.5	Very low	30	Very low	107 Å²	107	122.1 Å²	122.1	75%	0.748	81%	0.806	S	S	*	*			trans	-104.4	172.5	177.9	-171	0	0	0	0	112.2
694	F	26	Very low	30	Very low	203 Å²	203	121.5 Å²	121.5	89%	0.89	80%	0.803	S	S	*	*			trans	-127.5	142.9	166.7	-99.2	-81.1	0	0	0	112.1
695	S	28.7	Very low	30.1	Very low	112 Å²	112	122 Å²	122	78%	0.783	80%	0.8	S	S	*	*			trans	-160.2	146.4	172.9	-63	0	0	0	0	107.9
696	D	26.6	Very low	30.1	Very low	145 Å²	145	123.2 Å²	123.2	78%	0.775	81%	0.807	S	S	*	*				-169.8	157	129.4	-150.4	-9.1	0	0	0	111.9
697	S	26.5	Very low	29.3	Very low	112 Å²	112	121 Å²	121	78%	0.783	81%	0.805	S	S	*	*			trans	148.7	100.6	137.9	-66.2	0	0	0	0	112.4
698	T	28.2	Very low	29.2	Very low	126 Å²	126	120.9 Å²	120.9	77%	0.773	80%	0.804	S	S	*	*			trans	-86.1	176.7	161.9	1.6	0	0	0	0	110
699	P	41	Very low	29.2	Very low	125 Å²	125	124.2 Å²	124.2	81%	0.812	81%	0.807	S	S	*	*			cis	-152	163.8	43.7	41.8	-19.8	0	0	0	120.4
700	G	26.6	Very low	29.1	Very low	81 Å²	81	123.1 Å²	123.1	84%	0.835	80%	0.8	S	S	*	*			trans	78.8	150.6	154.2	0	0	0	0	0	118
701	G	25.7	Very low	28.5	Very low	90 Å²	90	128.5 Å²	128.5	93%	0.928	81%	0.805	S	S	*	*			cis	156	97.7	-7.4	0	0	0	0	0	113
702	G	25.9	Very low	29.2	Very low	81 Å²	81	128.6 Å²	128.6	84%	0.835	80%	0.804	S	S	*	*			trans	-174.2	164.6	-178.4	0	0	0	0	0	112.4
703	S	27.4	Very low	29.1	Very low	113 Å²	113	131.4 Å²	131.4	79%	0.79	81%	0.805	S	S	*	*			trans	-146.1	164.8	-162.5	-164.2	0	0	0	0	116.3
704	L	28.8	Very low	29.2	Very low	144 Å²	144	130.8 Å²	130.8	75%	0.754	81%	0.807	S	S	*	*			trans	86.4	111.3	164.4	-53.5	-176.9	0	0	0	121
705	L	29	Very low	29.5	Very low	150 Å²	150	125.5 Å²	125.5	79%	0.785	80%	0.795	S	S	*	*			trans	54.8	105.6	131.9	-67.4	164	0	0	0	121
706	N	28.1	Very low	29.4	Very low	172 Å²	172	129.1 Å²	129.1	92%	0.92	80%	0.8	S	S	*	*				-172.5	150.9	95.8	-122.2	-26.6	0	0	0	113.2
707	G	28.4	Very low	29.4	Very low	69 Å²	69	125.9 Å²	125.9	71%	0.711	80%	0.801	S	S	*	*			trans	147.5	121.1	170.7	0	0	0	0	0	115.5
708	P	37.9	Very low	29.7	Very low	116 Å²	116	129.2 Å²	129.2	75%	0.753	81%	0.809	S	S	*	*			trans	-106	145.7	-177.7	37.2	-31.7	0	0	0	115.3
709	H	28.3	Very low	29.6	Very low	182 Å²	182	133.2 Å²	133.2	84%	0.843	82%	0.816	S	S	*	*			trans	52.7	144.7	147.9	-76.2	-50.4	0	0	0	121.6
710	S	26.4	Very low	29	Very low	92 Å²	92	131.2 Å²	131.2	64%	0.643	81%	0.809	S	S	*	*			cis	-169.3	145	-15.1	-131.4	0	0	0	0	109.8
711	Y	25.2	Very low	29.3	Very low	237 Å²	237	133.7 Å²	133.7	93%	0.929	81%	0.811	S	S	*	*			trans	-161.7	126.4	162.6	-107.8	-72.7	0	0	0	112.1
712	P	41.7	Very low	29.6	Very low	116 Å²	116	136.9 Å²	136.9	75%	0.753	80%	0.802	S	S	*	*			trans	-111.3	115.9	173.9	35.4	-26.5	0	0	0	115
713	Q	28.8	Very low	30.2	Very low	186 Å²	186	138.8 Å²	138.8	87%	0.869	80%	0.799	S	S	*	*				48.5	116.4	125.8	-168.4	169.2	-12.5	0	0	123.8
714	A	28.9	Very low	30.7	Very low	95 Å²	95	140.4 Å²	140.4	79%	0.785	80%	0.798	S	S	*	*			trans	67.4	164	141.7	0	0	0	0	0	120.7
715	S	30.4	Very low	31.6	Very low	91 Å²	91	138.4 Å²	138.4	64%	0.636	80%	0.796	S	S	*	*			cis	-144	163.2	4.8	74.1	0	0	0	0	115.5
716	E	28	Very low	32.7	Very low	188 Å²	188	136 Å²	136	88%	0.879	79%	0.792	S	S	*	*			trans	61.7	147.9	148.2	-71.1	161.4	114.7	0	0	124.6
717	G	26.7	Very low	33.5	Very low	78 Å²	78	134.9 Å²	134.9	80%	0.804	79%	0.785	S	S	*	*			trans	138.4	95.8	162.9	0	0	0	0	0	116.2
718	L	32.7	Very low	34.2	Very low	181 Å²	181	139.3 Å²	139.3	95%	0.948	79%	0.785	S	S	*	*			trans	-119.3	140.4	173.7	-75.3	173.6	0	0	0	112.4
719	K	25.4	Very low	34.8	Very low	211 Å²	211	136.3 Å²	136.3	92%	0.917	77%	0.77	S	S	*	*			trans	-154.9	147.4	154.8	-162.8	159	-175.5	173.4	0	112.3
720	A	28.1	Very low	35.5	Very low	82 Å²	82	134.5 Å²	134.5	68%	0.678	76%	0.764	S	S	*	*			trans	-111.4	161.1	-178.4	0	0	0	0	0	112.4
721	P	33.3	Very low	36.2	Very low	133 Å²	133	133.4 Å²	133.4	86%	0.864	76%	0.76	S	S	*	*			trans	-83	162.8	176.4	34.4	-35.6	0	0	0	113.6
722	E	32.3	Very low	37.1	Very low	158 Å²	158	128.2 Å²	128.2	74%	0.738	74%	0.744	S	S	*	*			trans	-124	147	-165.6	176.3	-179	-131.6	0	0	112.8	L724	E722-L724 HydrophobicContact CG-CD1 4.42Å; E722-L724 HydrophobicContact CG-CG 4.33Å
723	P	39.4	Very low	37.4	Very low	121 Å²	121	133.1 Å²	133.1	79%	0.786	75%	0.748	S	S	*	*			trans	-111.8	92.8	176	37.7	-27.1	0	0	0	113.8
724	L	36.4	Very low	38.2	Very low	147 Å²	147	128.2 Å²	128.2	77%	0.77	74%	0.739	S	S	*	*			trans	-137.2	107.8	171.5	-70.9	176.3	0	0	0	111.9	E722	E722-L724 HydrophobicContact CG-CD1 4.42Å; E722-L724 HydrophobicContact CG-CG 4.33Å
725	S	49.1	Very low	38.7	Very low	101 Å²	101	127.6 Å²	127.6	71%	0.706	73%	0.734	S	S	*	*			trans	-146.8	-20.2	176.9	66.4	0	0	0	0	117
726	S	51.2	Low	39.4	Very low	100 Å²	100	130.7 Å²	130.7	70%	0.699	74%	0.743	S	S	*	*	H	α-helix	trans	-69.1	-56.1	-173.2	178.2	0	0	0	0	113.5	K728 A729	S726-K728 VanDerWaalsContact C-N 3.29Å; S726-K728 PolarHBondContact O-N 3.33Å; S726-A729 PolarHBondContact O-N 3.01Å
727	L	44.3	Very low	40.1	Very low	148 Å²	148	124.8 Å²	124.8	78%	0.775	73%	0.732	S	S	*	*	H	α-helix	trans	-61.3	-35.6	-173.1	-172.2	63.8	0	0	0	113.1	A729 M730 A731	L727-A729 PolarHBondContact O-N 3.46Å; L727-M730 PolarHBondContact O-N 2.83Å; L727-A731 PolarHBondContact O-N 2.95Å
728	K	44.2	Very low	40.7	Very low	163 Å²	163	127 Å²	127	71%	0.709	74%	0.735	S	S	*	*	H	α-helix	trans	-64.5	-40.5	-179	-173.2	170.8	-179.8	174.8	0	112.6	S726 M730 A731 E732	S726-K728 VanDerWaalsContact C-N 3.29Å; S726-K728 PolarHBondContact O-N 3.33Å; K728-M730 VanDerWaalsContact C-N 3.29Å; K728-M730 PolarHBondContact O-N 3.22Å; K728-A731 PolarHBondContact O-N 3.38Å; K728-E732 WeakPolarHBondContact O-CB 3.46Å; K728-E732 PolarHBondContact O-N 3.35Å; K728-E732 VanDerWaalsContact O-N 3.14Å
729	A	50.8	Low	40.5	Very low	53 Å²	53	121.4 Å²	121.4	44%	0.438	72%	0.721	S	S	.	*	H	α-helix	trans	-68.5	-27	-178.9	0	0	0	0	0	113.1	S726 L727 R733	S726-A729 PolarHBondContact O-N 3.01Å; L727-A729 PolarHBondContact O-N 3.46Å; A729-R733 WeakPolarHBondContact O-CG 3.29Å; A729-R733 PolarHBondContact O-N 2.81Å
730	M	42.7	Very low	41	Very low	144 Å²	144	119.3 Å²	119.3	71%	0.709	72%	0.719	S	S	*	*	H	α-helix	trans	-74.8	-41.9	177.3	-169.1	173.3	-74.4	0	0	111.7	L727 K728 R733	L727-M730 PolarHBondContact O-N 2.83Å; K728-M730 VanDerWaalsContact C-N 3.29Å; K728-M730 PolarHBondContact O-N 3.22Å; M730-R733 PolarHBondContact O-N 3.34Å
731	A	40.9	Very low	41.2	Very low	69 Å²	69	122.5 Å²	122.5	57%	0.57	73%	0.725	S	S	*	*	H	α-helix	trans	-65	-40.1	175.1	0	0	0	0	0	112.4	L727 K728 R733 A734	L727-A731 PolarHBondContact O-N 2.95Å; K728-A731 PolarHBondContact O-N 3.38Å; A731-R733 VanDerWaalsContact C-N 3.32Å; A731-R733 PolarHBondContact O-N 2.91Å; A731-A734 PolarHBondContact O-N 2.98Å
732	E	43.9	Very low	41	Very low	127 Å²	127	118.7 Å²	118.7	59%	0.593	71%	0.71	S	S	*	*	H	α-helix	trans	-64.9	-33.3	179.8	-169.3	167.1	-161.5	0	0	112.7	K728 A734 A735	K728-E732 WeakPolarHBondContact O-CB 3.46Å; K728-E732 PolarHBondContact O-N 3.35Å; K728-E732 VanDerWaalsContact O-N 3.14Å; E732-A734 VanDerWaalsContact C-N 3.34Å; E732-A734 PolarHBondContact O-N 3.32Å; E732-A735 PolarHBondContact O-N 3.02Å
733	R	49.1	Very low	40.7	Very low	219 Å²	219	120.3 Å²	120.3	83%	0.826	72%	0.718	S	S	*	*	H	α-helix	trans	-66.1	-30.3	174.7	-78.2	-76	-177.3	91	-1.4	113.8	A729 M730 A731	A729-R733 WeakPolarHBondContact O-CG 3.29Å; A729-R733 PolarHBondContact O-N 2.81Å; M730-R733 PolarHBondContact O-N 3.34Å; A731-R733 VanDerWaalsContact C-N 3.32Å; A731-R733 PolarHBondContact O-N 2.91Å
734	A	43.8	Very low	40.2	Very low	83 Å²	83	121.6 Å²	121.6	69%	0.686	72%	0.716	S	S	*	*	H	α-helix	trans	-77.8	-22.3	-179.1	0	0	0	0	0	113.3	A731 E732	A731-A734 PolarHBondContact O-N 2.98Å; E732-A734 VanDerWaalsContact C-N 3.34Å; E732-A734 PolarHBondContact O-N 3.32Å
735	A	40.6	Very low	39.8	Very low	83 Å²	83	119.7 Å²	119.7	69%	0.686	72%	0.715	S	S	*	*	T	Hydrogen-bonded Turn	trans	-82.9	-13.7	-171.2	0	0	0	0	0	115.2	E732	E732-A735 PolarHBondContact O-N 3.02Å
736	L	45.5	Very low	38.7	Very low	156 Å²	156	122.4 Å²	122.4	82%	0.817	72%	0.722	S	S	*	*	T	Hydrogen-bonded Turn	trans	-99.4	15.8	-172.6	-63	176.1	0	0	0	114.1
737	G	41.6	Very low	37.5	Very low	63 Å²	63	125.3 Å²	125.3	65%	0.649	73%	0.726	S	S	*	*	S	Bend	trans	-104.1	10.4	-164.3	0	0	0	0	0	118.1
738	S	39.8	Very low	36.6	Very low	125 Å²	125	124.8 Å²	124.8	87%	0.874	72%	0.72	S	S	*	*			trans	-154.7	139	-176	-72.2	0	0	0	0	115.7
739	G	28.3	Very low	35.8	Very low	64 Å²	64	122.2 Å²	122.2	66%	0.66	72%	0.717	S	S	*	*			trans	96	141.9	178.3	0	0	0	0	0	113.6
740	L	35.2	Very low	34.6	Very low	167 Å²	167	126.4 Å²	126.4	87%	0.874	73%	0.732	S	S	*	*			cis	-153.2	154.1	-3.6	-69.2	97.6	0	0	0	106.9
741	D	33.4	Very low	33.8	Very low	148 Å²	148	126.6 Å²	126.6	79%	0.791	74%	0.737	S	S	*	*			cis	-160.7	-173.6	-12	-120.6	-99.1	0	0	0	106.9
742	G	29.1	Very low	33.4	Very low	54 Å²	54	130 Å²	130	56%	0.557	74%	0.743	S	S	*	*			cis	169.3	-167.8	5.2	0	0	0	0	0	111.2
743	E	25.9	Very low	32.7	Very low	191 Å²	191	133.4 Å²	133.4	89%	0.893	76%	0.757	S	S	*	*			trans	60.5	135	168.5	-62.5	-166.1	128	0	0	118.1
744	I	29.3	Very low	31.6	Very low	148 Å²	148	128.3 Å²	128.3	76%	0.759	76%	0.755	S	S	*	*			cis	-151.3	153.2	14.7	7.7	169.2	0	0	0	113
745	S	27.7	Very low	31	Very low	107 Å²	107	127.6 Å²	127.6	75%	0.748	76%	0.755	S	S	*	*			trans	70.6	92.1	146.4	-60.7	0	0	0	0	122.5
746	N	25.3	Very low	30.7	Very low	159 Å²	159	129.8 Å²	129.8	85%	0.85	77%	0.766	S	S	*	*			trans	-9.6	150.5	141.7	-63.8	-19.3	0	0	0	120.5
747	M	25.6	Very low	30	Very low	160 Å²	160	127.8 Å²	127.8	79%	0.788	77%	0.765	S	S	*	*				-172	122.7	113.5	-95.6	-107.1	71.3	0	0	114.4
748	H	26.4	Very low	29.6	Very low	138 Å²	138	129.6 Å²	129.6	64%	0.639	77%	0.774	S	S	*	*			trans	63.2	159.9	154	-120.6	27.4	0	0	0	117.9
749	V	26	Very low	29.5	Very low	108 Å²	108	128.3 Å²	128.3	66%	0.655	77%	0.77	S	S	*	*			cis	-138	142.4	13.5	-166.4	0	0	0	0	110.3
750	N	26.2	Very low	30.1	Very low	141 Å²	141	131.7 Å²	131.7	75%	0.754	78%	0.781	S	S	*	*			trans	-168.2	146	130.6	-103.4	6.3	0	0	0	111.3
751	D	26.7	Very low	29.9	Very low	149 Å²	149	127.4 Å²	127.4	80%	0.797	78%	0.777	S	S	*	*			trans	90.2	101.1	172.8	-59.2	-11	0	0	0	119
752	I	31.2	Very low	30.1	Very low	139 Å²	139	127.3 Å²	127.3	71%	0.713	78%	0.782	S	S	*	*			trans	-138.1	134.9	159	-66.4	-176.6	0	0	0	108.9
753	F	29	Very low	31.2	Very low	199 Å²	199	130.8 Å²	130.8	87%	0.873	80%	0.795	S	S	*	*			trans	117.4	116.2	173.4	-71.3	-58.6	0	0	0	111.6
754	S	27.2	Very low	31.4	Very low	113 Å²	113	126.9 Å²	126.9	79%	0.79	80%	0.795	S	S	*	*			cis	-155.1	165.6	-1.9	-57	0	0	0	0	108.7
755	G	30.2	Very low	31.7	Very low	67 Å²	67	124.6 Å²	124.6	69%	0.691	80%	0.798	S	S	*	*			cis	154.9	141.4	-5.9	0	0	0	0	0	112.2
756	S	35.6	Very low	32.6	Very low	130 Å²	130	124.6 Å²	124.6	91%	0.909	80%	0.796	S	S	*	*			trans	67	151.6	170.8	-78.2	0	0	0	0	118.9
757	S	31	Very low	33	Very low	114 Å²	114	125.3 Å²	125.3	80%	0.797	79%	0.794	S	S	*	*			cis	-163.6	141.9	-10.2	172.3	0	0	0	0	111.4
758	A	32.4	Very low	33.8	Very low	101 Å²	101	122.1 Å²	122.1	84%	0.835	79%	0.785	S	S	*	*			trans	-162	165.5	161.4	0	0	0	0	0	111.7
759	A	37.2	Very low	34.2	Very low	97 Å²	97	120.9 Å²	120.9	80%	0.802	79%	0.792	S	S	*	*			trans	-103.9	169.1	-166	0	0	0	0	0	114.6
760	P	41.1	Very low	34.6	Very low	135 Å²	135	122.3 Å²	122.3	88%	0.877	80%	0.801	S	S	*	*			trans	-96	165	-156.3	37.5	-37.3	0	0	0	117
761	G	31.3	Very low	35.2	Very low	77 Å²	77	121.2 Å²	121.2	79%	0.794	80%	0.804	S	S	*	*			trans	-147.3	161.7	170.9	0	0	0	0	0	112.4
762	T	37.9	Very low	35.9	Very low	147 Å²	147	123.4 Å²	123.4	90%	0.902	81%	0.809	S	S	*	*			trans	-93.8	163.8	-165.6	33.3	0	0	0	0	115.7
763	P	51.1	Low	36.5	Very low	127 Å²	127	122.5 Å²	122.5	83%	0.825	81%	0.81	S	S	*	*			trans	-97.9	160.8	-161.7	37.9	-37	0	0	0	116.3
764	A	31	Very low	37.2	Very low	108 Å²	108	118.6 Å²	118.6	89%	0.893	81%	0.807	S	S	*	*			trans	-148.7	163.8	168.5	0	0	0	0	0	112.9
765	A	36	Very low	38.5	Very low	100 Å²	100	119.6 Å²	119.6	83%	0.826	80%	0.802	S	S	*	*			trans	-85.5	172.8	-159.1	0	0	0	0	0	116.9
766	P	47.2	Very low	39.4	Very low	108 Å²	108	121 Å²	121	70%	0.701	80%	0.799	S	S	*	*			trans	-113.6	162.5	-163.9	41.4	-33.5	0	0	0	116.6
767	Q	32.3	Very low	40.2	Very low	174 Å²	174	119.7 Å²	119.7	81%	0.813	79%	0.788	S	S	*	*			trans	-165.8	168.5	151.9	-99.2	-24.7	-92.4	0	0	111.9
768	P	43.6	Very low	41.4	Very low	93 Å²	93	119.4 Å²	119.4	60%	0.604	79%	0.786	S	S	*	*				-133.5	-172.3	-129.8	46.2	-31.8	0	0	0	117.3
769	S	34.7	Very low	42.2	Very low	112 Å²	112	121.6 Å²	121.6	78%	0.783	78%	0.783	S	S	*	*			trans	71.3	140.9	165.9	72.8	0	0	0	0	115.8
770	V	34.6	Very low	43.1	Very low	138 Å²	138	121 Å²	121	84%	0.836	79%	0.786	S	S	*	*			cis	-126.1	159.8	33	-70	0	0	0	0	114.6
771	S	38.3	Very low	43.9	Very low	117 Å²	117	120.9 Å²	120.9	82%	0.818	78%	0.782	S	S	*	*			trans	-103.7	119.1	174.5	-55.4	0	0	0	0	110.9
772	E	41.5	Very low	44.6	Very low	195 Å²	195	122.4 Å²	122.4	91%	0.911	78%	0.78	S	S	*	*			trans	-83.6	125.5	175.1	-170.3	172.3	175.3	0	0	110.7	S774	E772-S774 PolarHBondContact O-N 3.32Å
773	V	42.7	Very low	45.4	Very low	121 Å²	121	121.6 Å²	121.6	73%	0.733	78%	0.777	S	S	*	*			trans	-89.4	97.9	-177	-179.4	0	0	0	0	109.7	I775	V773-I775 HydrophobicContact CG1-CG1 4.16Å; V773-I775 PolarHBondContact O-N 3.02Å
774	S	43.8	Very low	45.5	Very low	116 Å²	116	122.9 Å²	122.9	81%	0.811	78%	0.776	S	S	*	*			trans	-74.5	117.7	173.2	-172.3	0	0	0	0	110.9	E772	E772-S774 PolarHBondContact O-N 3.32Å
775	I	54.3	Low	46.9	Very low	134 Å²	134	120.6 Å²	120.6	69%	0.687	76%	0.763	S	S	*	*			trans	-104.3	123	179.1	-57.4	178.3	0	0	0	109	V773	V773-I775 HydrophobicContact CG1-CG1 4.16Å; V773-I775 PolarHBondContact O-N 3.02Å
776	P	51	Low	48.5	Very low	97 Å²	97	122.1 Å²	122.1	63%	0.63	76%	0.764	S	S	*	*			trans	-60.3	132.1	179.7	-27	36.1	0	0	0	113.2	S778	P776-S778 PolarHBondContact O-N 2.96Å
777	P	52.3	Low	49.6	Very low	103 Å²	103	121.4 Å²	121.4	67%	0.669	76%	0.758	S	S	*	*	T	Hydrogen-bonded Turn	trans	-73.6	26.1	-173.5	-20.9	34.6	0	0	0	117.4	L779	P777-L779 VanDerWaalsContact C-N 3.35Å; P777-L779 PolarHBondContact O-N 3.37Å
778	S	55.8	Low	51.8	Low	107 Å²	107	118.9 Å²	118.9	75%	0.748	76%	0.757	S	S	*	*	T	Hydrogen-bonded Turn	trans	-80.7	-6.4	-172.4	55.6	0	0	0	0	115.4	P776	P776-S778 PolarHBondContact O-N 2.96Å
779	L	49.5	Very low	53.8	Low	148 Å²	148	118.6 Å²	118.6	78%	0.775	75%	0.749	S	S	*	*	S	Bend	trans	-123.2	96.5	178.3	-74.7	168.7	0	0	0	110.9	P777 V781	P777-L779 VanDerWaalsContact C-N 3.35Å; P777-L779 PolarHBondContact O-N 3.37Å; L779-V781 VanDerWaalsContact C-N 3.33Å; L779-V781 PolarHBondContact O-N 3.09Å
780	G	54.8	Low	56.6	Low	84 Å²	84	115.9 Å²	115.9	87%	0.866	73%	0.731	S	S	*	*			trans	-72.5	72.2	-175.4	0	0	0	0	0	114.9
781	V	58.7	Low	59.4	Low	133 Å²	133	118.6 Å²	118.6	81%	0.806	73%	0.731	S	S	*	*			trans	-139.3	54	175	-74.6	0	0	0	0	112.9	L779	L779-V781 VanDerWaalsContact C-N 3.33Å; L779-V781 PolarHBondContact O-N 3.09Å
782	C	46	Very low	62.1	Low	109 Å²	109	117.4 Å²	117.4	74%	0.736	72%	0.716	S	S	*	*	S	Bend	trans	-151.8	158.6	164.6	-123.6	0	0	0	0	110.6	L784	C782-L784 PolarHBondContact O-N 3.19Å
783	P	53.8	Low	64.6	Low	130 Å²	130	112.4 Å²	112.4	84%	0.844	69%	0.692	S	S	*	*	S	Bend	trans	-83.5	28.1	-163.1	36.3	-38.4	0	0	0	114.5
784	L	54.1	Low	67.1	Low	154 Å²	154	111.2 Å²	111.2	81%	0.806	68%	0.681	S	S	*	*	P	Polyproline II helix	trans	-93.1	131.4	171.7	-60.2	178.1	0	0	0	108	C782	C782-L784 PolarHBondContact O-N 3.19Å
785	G	60.6	Low	69.6	Low	59 Å²	59	112.5 Å²	112.5	61%	0.608	67%	0.67	S	S	*	*	P	Polyproline II helix	trans	-62	170.6	177.6	0	0	0	0	0	112.4	T787	G785-T787 PolarHBondContact O-N 3.45Å; G785-T787 VanDerWaalsContact O-N 3.1Å
786	P	68.9	Low	71.7	Confident	132 Å²	132	111.2 Å²	111.2	86%	0.857	66%	0.661	S	S	*	*	P	Polyproline II helix	trans	-46.5	120.9	-178.2	-28.6	35.1	0	0	0	111.5
787	T	71.4	Confident	73.8	Confident	93 Å²	93	111.6 Å²	111.6	57%	0.571	65%	0.654	S	S	*	*	P	Polyproline II helix	trans	-54.3	126.9	178.6	-50.7	0	0	0	0	108.1	G785 L789	G785-T787 PolarHBondContact O-N 3.45Å; G785-T787 VanDerWaalsContact O-N 3.1Å; T787-L789 PolarHBondContact O-N 3.13Å
788	P	77.4	Confident	76	Confident	121 Å²	121	109.2 Å²	109.2	79%	0.786	64%	0.643	S	S	*	*			trans	-60.6	114.4	-177.2	23.7	-33	0	0	0	108.8
789	L	85.8	Confident	78	Confident	87 Å²	87	109 Å²	109	46%	0.455	63%	0.631	S	S	.	*			trans	-56.6	145.9	178.2	-69.5	176.7	0	0	0	109.6	T787 Q793 L794	T787-L789 PolarHBondContact O-N 3.13Å; L789-Q793 HydrophobicContact CB-CB 3.95Å; L789-Q793 HydrophobicContact CD2-CB 4.28Å; L789-L794 HydrophobicContact CB-CD1 3.53Å; L789-L794 WeakPolarHBondContact O-CD1 3.24Å
790	S	92.9	Very high	80.3	Confident	56 Å²	56	109 Å²	109	39%	0.392	63%	0.627	S	S	.	*			trans	-63.4	155.4	175.9	86.8	0	0	0	0	110.4	D792 Q793 L794	S790-D792 PolarHBondContact O-N 3.32Å; S790-D792 VanDerWaalsContact O-N 3.09Å; S790-D792 PolarHBondContact OG-N 3.45Å; S790-Q793 WeakPolarHBondContact O-CA 3.48Å; S790-Q793 WeakPolarHBondContact O-CB 3.41Å; S790-Q793 PolarHBondContact O-N 3.13Å; S790-Q793 WeakPolarHBondContact OG-CG 3.44Å; S790-Q793 PolarHBondContact OG-N 3.44Å; S790-Q793 VanDerWaalsContact OG-N 3.09Å; S790-L794 WeakPolarHBondContact O-CD1 3.49Å; S790-L794 PolarHBondContact O-N 3.48Å
791	K	93.7	Very high	82.3	Confident	194 Å²	194	110.9 Å²	110.9	84%	0.843	61%	0.613	S	S	*	*	H	α-helix	trans	-54	-34.1	177.1	-175.5	-177.1	175	-171.9	0	112.4	Y795	K791-Y795 PolarHBondContact O-N 3.13Å
792	D	95.3	Very high	84.1	Confident	92 Å²	92	106.7 Å²	106.7	49%	0.492	59%	0.593	S	S	.	*	H	α-helix	trans	-70.5	-42.1	175.1	-173.8	59.3	0	0	0	111.9	S790 L794 Y795 Q796	S790-D792 PolarHBondContact O-N 3.32Å; S790-D792 VanDerWaalsContact O-N 3.09Å; S790-D792 PolarHBondContact OG-N 3.45Å; D792-L794 PolarHBondContact O-N 3.05Å; D792-Y795 WeakPolarHBondContact O-CB 3.42Å; D792-Y795 PolarHBondContact O-N 3Å; D792-Y795 VanDerWaalsContact O-N 3.1Å; D792-Q796 WeakPolarHBondContact O-CG 3.33Å; D792-Q796 PolarHBondContact O-N 3.28Å; D792-Q796 PolarHBondContact OD2-NE2 2.67Å
793	Q	94.7	Very high	86.6	Confident	90 Å²	90	103.9 Å²	103.9	42%	0.421	58%	0.577	S	S	.	*	H	α-helix	trans	-63.6	-36.6	173.9	-72.3	168.9	-29.6	0	0	112.9	L789 S790 Y795 Q796 Q797	L789-Q793 HydrophobicContact CB-CB 3.95Å; L789-Q793 HydrophobicContact CD2-CB 4.28Å; S790-Q793 WeakPolarHBondContact O-CA 3.48Å; S790-Q793 WeakPolarHBondContact O-CB 3.41Å; S790-Q793 PolarHBondContact O-N 3.13Å; S790-Q793 WeakPolarHBondContact OG-CG 3.44Å; S790-Q793 PolarHBondContact OG-N 3.44Å; S790-Q793 VanDerWaalsContact OG-N 3.09Å; Q793-Y795 VanDerWaalsContact C-N 3.32Å; Q793-Q796 PolarHBondContact O-N 2.91Å; Q793-Q797 WeakPolarHBondContact O-CB 3.37Å; Q793-Q797 PolarHBondContact O-N 3.02Å
794	L	94.8	Very high	88.6	Confident	96 Å²	96	106.1 Å²	106.1	50%	0.503	57%	0.569	S	S	.	*	H	α-helix	trans	-63.4	-38.8	170.9	-84.4	85.5	0	0	0	111.7	L789 S790 D792 Q797 A798	L789-L794 HydrophobicContact CB-CD1 3.53Å; L789-L794 WeakPolarHBondContact O-CD1 3.24Å; S790-L794 WeakPolarHBondContact O-CD1 3.49Å; S790-L794 PolarHBondContact O-N 3.48Å; D792-L794 PolarHBondContact O-N 3.05Å; L794-Q797 PolarHBondContact O-N 2.88Å; L794-A798 WeakPolarHBondContact O-CB 3.36Å; L794-A798 PolarHBondContact O-N 3.46Å
795	Y	96.8	Very high	90.7	Very high	144 Å²	144	103.7 Å²	103.7	57%	0.565	56%	0.561	S	S	*	*	H	α-helix	trans	-68.1	-44.9	177	172.8	-109.1	0	0	0	111.7	K791 D792 Q793 Q797 A798 M799	K791-Y795 PolarHBondContact O-N 3.13Å; D792-Y795 WeakPolarHBondContact O-CB 3.42Å; D792-Y795 PolarHBondContact O-N 3Å; D792-Y795 VanDerWaalsContact O-N 3.1Å; Q793-Y795 VanDerWaalsContact C-N 3.32Å; Y795-Q797 VanDerWaalsContact C-N 3.31Å; Y795-Q797 PolarHBondContact O-N 3.26Å; Y795-A798 PolarHBondContact O-N 3.5Å; Y795-M799 HydrophobicContact CD2-CG 4.23Å; Y795-M799 HydrophobicContact CE1-CG 4.1Å; Y795-M799 HydrophobicContact CE2-CG 3.74Å; Y795-M799 HydrophobicContact CE2-SD 3.99Å; Y795-M799 WeakPolarHBondContact O-CG 3.26Å; Y795-M799 PolarHBondContact O-N 3.37Å
796	Q	97.3	Very high	92.3	Very high	107 Å²	107	107 Å²	107	50%	0.5	56%	0.561	S	S	.	*	H	α-helix	trans	-57.9	-43.1	172.2	-67.8	177.9	25.9	0	0	111.4	D792 Q793 M799 Q800	D792-Q796 WeakPolarHBondContact O-CG 3.33Å; D792-Q796 PolarHBondContact O-N 3.28Å; D792-Q796 PolarHBondContact OD2-NE2 2.67Å; Q793-Q796 PolarHBondContact O-N 2.91Å; Q796-M799 PolarHBondContact O-N 3.46Å; Q796-Q800 WeakPolarHBondContact O-CB 3.47Å; Q796-Q800 PolarHBondContact O-N 2.86Å
797	Q	95.9	Very high	93.5	Very high	104 Å²	104	106.9 Å²	106.9	49%	0.486	55%	0.55	S	S	.	.	H	α-helix	trans	-60.5	-46.9	175	-178.5	-179.4	-10.1	0	0	111.8	Q793 L794 Y795 M799 Q800 E801	Q793-Q797 WeakPolarHBondContact O-CB 3.37Å; Q793-Q797 PolarHBondContact O-N 3.02Å; L794-Q797 PolarHBondContact O-N 2.88Å; Y795-Q797 VanDerWaalsContact C-N 3.31Å; Y795-Q797 PolarHBondContact O-N 3.26Å; Q797-M799 PolarHBondContact O-N 3.31Å; Q797-Q800 PolarHBondContact O-N 3.5Å; Q797-E801 WeakPolarHBondContact O-CB 3.5Å; Q797-E801 PolarHBondContact O-N 2.92Å
798	A	97.1	Very high	94.7	Very high	53 Å²	53	107.4 Å²	107.4	44%	0.438	56%	0.555	S	S	.	*	H	α-helix	trans	-64.4	-38.5	178.7	0	0	0	0	0	112.6	L794 Y795 E801 A802	L794-A798 WeakPolarHBondContact O-CB 3.36Å; L794-A798 PolarHBondContact O-N 3.46Å; Y795-A798 PolarHBondContact O-N 3.5Å; A798-E801 PolarHBondContact O-N 3.44Å; A798-A802 PolarHBondContact O-N 3.19Å
799	M	98	Very high	95.5	Very high	102 Å²	102	104.9 Å²	104.9	50%	0.502	53%	0.532	S	S	.	.	H	α-helix	trans	-67.3	-37.6	173.9	-70.3	-58.9	-58.8	0	0	112.2	Y795 Q796 Q797 A803	Y795-M799 HydrophobicContact CD2-CG 4.23Å; Y795-M799 HydrophobicContact CE1-CG 4.1Å; Y795-M799 HydrophobicContact CE2-CG 3.74Å; Y795-M799 HydrophobicContact CE2-SD 3.99Å; Y795-M799 WeakPolarHBondContact O-CG 3.26Å; Y795-M799 PolarHBondContact O-N 3.37Å; Q796-M799 PolarHBondContact O-N 3.46Å; Q797-M799 PolarHBondContact O-N 3.31Å; M799-A803 WeakPolarHBondContact O-CB 3.36Å; M799-A803 PolarHBondContact O-N 3.29Å
800	Q	97.6	Very high	95.8	Very high	148 Å²	148	103.7 Å²	103.7	69%	0.692	53%	0.53	S	S	*	.	H	α-helix	trans	-70.1	-37.3	174.4	-174.9	-179.1	-46.7	0	0	111.9	Q796 Q797 A803 W804	Q796-Q800 WeakPolarHBondContact O-CB 3.47Å; Q796-Q800 PolarHBondContact O-N 2.86Å; Q797-Q800 PolarHBondContact O-N 3.5Å; Q800-A803 PolarHBondContact O-N 3.32Å; Q800-W804 VanDerWaalsContact O-CB 3.28Å; Q800-W804 WeakPolarHBondContact O-CB 3.48Å; Q800-W804 PolarHBondContact O-N 3.37Å
801	E	97.3	Very high	95.7	Very high	124 Å²	124	102.6 Å²	102.6	58%	0.579	52%	0.522	S	S	*	.	H	α-helix	trans	-64.8	-44.5	175.9	-175	171.2	-175.7	0	0	110.9	Q797 A798 W804 T805	Q797-E801 WeakPolarHBondContact O-CB 3.5Å; Q797-E801 PolarHBondContact O-N 2.92Å; A798-E801 PolarHBondContact O-N 3.44Å; E801-W804 PolarHBondContact O-N 3.13Å; E801-T805 PolarHBondContact O-N 3.15Å
802	A	97	Very high	95.8	Very high	46 Å²	46	98.7 Å²	98.7	38%	0.38	51%	0.511	S	S	.	.	H	α-helix	trans	-56.3	-53.6	170.2	0	0	0	0	0	111.2	A798 W804 T805 H806	A798-A802 PolarHBondContact O-N 3.19Å; A802-W804 PolarHBondContact O-N 2.86Å; A802-T805 PolarHBondContact O-N 3.5Å; A802-T805 VanDerWaalsContact O-N 3.07Å; A802-T805 PolarHBondContact O-OG1 2.97Å; A802-H806 PolarHBondContact O-CD2 3.36Å; A802-H806 PolarHBondContact O-NE2 2.97Å
803	A	98	Very high	95.7	Very high	49 Å²	49	99.8 Å²	99.8	41%	0.405	53%	0.526	S	S	.	.	H	α-helix	trans	-58.8	-30.4	177.9	0	0	0	0	0	113.7	M799 Q800 H806 M807	M799-A803 WeakPolarHBondContact O-CB 3.36Å; M799-A803 PolarHBondContact O-N 3.29Å; Q800-A803 PolarHBondContact O-N 3.32Å; A803-H806 CarbonylContact O-C 3.6Å; A803-H806 VanDerWaalsContact O-C 3.23Å; A803-H806 PolarHBondContact O-N 3.46Å; A803-M807 PolarHBondContact O-N 3.24Å
804	W	96.9	Very high	95.5	Very high	177 Å²	177	98 Å²	98	67%	0.67	52%	0.517	S	S	*	.	H	α-helix	trans	-71.8	-31.8	177.3	179.3	81	0	0	0	113	Q800 E801 A802 H806	Q800-W804 VanDerWaalsContact O-CB 3.28Å; Q800-W804 WeakPolarHBondContact O-CB 3.48Å; Q800-W804 PolarHBondContact O-N 3.37Å; E801-W804 PolarHBondContact O-N 3.13Å; A802-W804 PolarHBondContact O-N 2.86Å; W804-H806 PolarHBondContact O-N 2.96Å; W804-H806 VanDerWaalsContact O-N 3.15Å
805	T	96.4	Very high	95.5	Very high	103 Å²	103	103.2 Å²	103.2	63%	0.632	53%	0.53	S	S	*	.	H	α-helix	trans	-62	-21.8	174.4	67.6	0	0	0	0	113.3	E801 A802	E801-T805 PolarHBondContact O-N 3.15Å; A802-T805 PolarHBondContact O-N 3.5Å; A802-T805 VanDerWaalsContact O-N 3.07Å; A802-T805 PolarHBondContact O-OG1 2.97Å
806	H	94.8	Very high	95.2	Very high	130 Å²	130	103.5 Å²	103.5	60%	0.602	54%	0.54	S	S	*	.	T	Hydrogen-bonded Turn	trans	-137.4	53.1	-179.6	56.5	67.8	0	0	0	111	A802 A803 W804	A802-H806 PolarHBondContact O-CD2 3.36Å; A802-H806 PolarHBondContact O-NE2 2.97Å; A803-H806 CarbonylContact O-C 3.6Å; A803-H806 VanDerWaalsContact O-C 3.23Å; A803-H806 PolarHBondContact O-N 3.46Å; W804-H806 PolarHBondContact O-N 2.96Å; W804-H806 VanDerWaalsContact O-N 3.15Å
807	M	95	Very high	94.8	Very high	128 Å²	128	102 Å²	102	63%	0.631	53%	0.53	S	S	*	.	P	Polyproline II helix	trans	-55	141.5	171.8	-72.9	-169.4	68.4	0	0	111	A803 H809	A803-M807 PolarHBondContact O-N 3.24Å; M807-H809 PolarHBondContact O-N 3.11Å
808	P	96.6	Very high	94.6	Very high	104 Å²	104	104.2 Å²	104.2	68%	0.675	54%	0.54	S	S	*	.	P	Polyproline II helix	trans	-52.9	131.6	178.1	-27.9	35.3	0	0	0	112.6	D812	P808-D812 WeakPolarHBondContact CA-OD2 3.33Å
809	H	93.5	Very high	94.3	Very high	68 Å²	68	108.3 Å²	108.3	32%	0.315	55%	0.545	S	S	.	.	P	Polyproline II helix	trans	-76	147.6	176.6	-173.3	-107.8	0	0	0	109.5	M807 S811 D812 R822 P824	M807-H809 PolarHBondContact O-N 3.11Å; H809-S811 PolarHBondContact CE1-OG 3.3Å; H809-S811 WeakPolarHBondContact ND1-CB 3.21Å; H809-S811 PolarHBondContact ND1-N 3.05Å; H809-S811 PolarHBondContact ND1-OG 3.43Å; H809-S811 PolarHBondContact O-N 3.19Å; H809-D812 PolarHBondContact N-OD2 2.94Å; H809-D812 VanDerWaalsContact O-CB 3.31Å; H809-D812 WeakPolarHBondContact O-CB 3.4Å; H809-D812 VanDerWaalsContact O-CG 3.23Å; H809-D812 PolarHBondContact O-N 3.26Å; H809-R822 PolarHBondContact CE1-O 2.95Å; H809-P824 WeakPolarHBondContact NE2-CD 3.32Å; H809-P824 VanDerWaalsContact NE2-CG 3.33Å; H809-P824 WeakPolarHBondContact NE2-CG 3.49Å
810	P	91.3	Very high	94.1	Very high	63 Å²	63	106.9 Å²	106.9	41%	0.409	54%	0.539	S	S	.	.	T	Hydrogen-bonded Turn	trans	-60.7	-13.1	179.1	-27.7	37	0	0	0	115.4
811	S	92.2	Very high	93.7	Very high	32 Å²	32	106.5 Å²	106.5	22%	0.224	54%	0.539	C	S	.	.	T	Hydrogen-bonded Turn	trans	-73.2	-26.2	170.6	-56.2	0	0	0	0	113.3	H809 S813 E814	H809-S811 PolarHBondContact CE1-OG 3.3Å; H809-S811 WeakPolarHBondContact ND1-CB 3.21Å; H809-S811 PolarHBondContact ND1-N 3.05Å; H809-S811 PolarHBondContact ND1-OG 3.43Å; H809-S811 PolarHBondContact O-N 3.19Å; S811-S813 PolarHBondContact O-N 3.02Å; S811-S813 VanDerWaalsContact O-N 3.15Å; S811-E814 PolarHBondContact O-N 3.31Å
812	D	94.6	Very high	93.3	Very high	113 Å²	113	106.8 Å²	106.8	60%	0.604	54%	0.535	S	S	*	.	T	Hydrogen-bonded Turn	trans	-71.8	-12	-171.3	-52	-10.5	0	0	0	112.2	P808 H809	P808-D812 WeakPolarHBondContact CA-OD2 3.33Å; H809-D812 PolarHBondContact N-OD2 2.94Å; H809-D812 VanDerWaalsContact O-CB 3.31Å; H809-D812 WeakPolarHBondContact O-CB 3.4Å; H809-D812 VanDerWaalsContact O-CG 3.23Å; H809-D812 PolarHBondContact O-N 3.26Å
813	S	94.4	Very high	93.1	Very high	115 Å²	115	111.2 Å²	111.2	80%	0.804	55%	0.552	S	S	*	*	T	Hydrogen-bonded Turn	trans	-112.4	2.7	179.1	-54.9	0	0	0	0	113.8	S811	S811-S813 PolarHBondContact O-N 3.02Å; S811-S813 VanDerWaalsContact O-N 3.15Å
814	E	90.9	Very high	92.9	Very high	52 Å²	52	112.8 Å²	112.8	24%	0.243	56%	0.558	C	S	.	*	S	Bend	trans	-119.1	156.7	177.1	57.2	177.5	-161.6	0	0	111.9	S811 I816 R817 R822	S811-E814 PolarHBondContact O-N 3.31Å; E814-I816 PolarHBondContact O-N 3.21Å; E814-R817 IonicContact OE1-CZ 3.06Å; E814-R817 IonicContact OE1-NE 3.77Å; E814-R817 PolarHBondContact OE1-NE 3.24Å; E814-R817 IonicContact OE1-NH2 2.84Å; E814-R817 IonicContact OE2-CZ 2.68Å; E814-R817 VanDerWaalsContact OE2-CZ 3.31Å; E814-R817 IonicContact OE2-NE 3.16Å; E814-R817 PolarHBondContact OE2-NE 2.87Å; E814-R817 VanDerWaalsContact OE2-NE 3.09Å; E814-R817 IonicContact OE2-NH2 2.8Å; E814-R817 PolarHBondContact OE2-NH2 3.42Å; E814-R822 WeakPolarHBondContact OE1-CD 3.3Å; E814-R822 WeakPolarHBondContact OE1-CG 3.44Å; E814-R822 IonicContact OE2-NE 3.89Å
815	R	93.2	Very high	92.7	Very high	206 Å²	206	108.3 Å²	108.3	78%	0.777	55%	0.553	S	S	*	*			trans	-60.4	136.8	170.8	176.1	179.8	-87.9	146.8	-9.2	108.9	R817	R815-R817 PolarHBondContact O-N 3.09Å
816	I	90.8	Very high	92.7	Very high	149 Å²	149	110 Å²	110	76%	0.764	57%	0.565	S	S	*	*			trans	-50.7	123.9	178.9	-59.8	174.3	0	0	0	110.2	E814	E814-I816 PolarHBondContact O-N 3.21Å
817	R	89.6	Confident	92.8	Very high	76 Å²	76	107 Å²	107	29%	0.287	56%	0.557	S	S	.	*			trans	-93.8	106.7	177.9	-57.6	176.7	-177.4	-110.4	-3.5	109.3	E814 R815 Y819 L820 M821	E814-R817 IonicContact OE1-CZ 3.06Å; E814-R817 IonicContact OE1-NE 3.77Å; E814-R817 PolarHBondContact OE1-NE 3.24Å; E814-R817 IonicContact OE1-NH2 2.84Å; E814-R817 IonicContact OE2-CZ 2.68Å; E814-R817 VanDerWaalsContact OE2-CZ 3.31Å; E814-R817 IonicContact OE2-NE 3.16Å; E814-R817 PolarHBondContact OE2-NE 2.87Å; E814-R817 VanDerWaalsContact OE2-NE 3.09Å; E814-R817 IonicContact OE2-NH2 2.8Å; E814-R817 PolarHBondContact OE2-NH2 3.42Å; R815-R817 PolarHBondContact O-N 3.09Å; R817-Y819 VanDerWaalsContact C-N 3.29Å; R817-Y819 PolarHBondContact O-N 3.13Å; R817-L820 WeakPolarHBondContact CD-O 3.35Å; R817-M821 VanDerWaalsContact O-CG 3.23Å; R817-M821 WeakPolarHBondContact O-CG 3.38Å
818	Q	90.6	Very high	92.8	Very high	150 Å²	150	105.6 Å²	105.6	70%	0.701	55%	0.551	S	S	*	*	S	Bend	trans	-62	-32.2	-172.3	-174.5	55.3	48.8	0	0	114.4
819	Y	92.3	Very high	92.8	Very high	140 Å²	140	106.2 Å²	106.2	55%	0.549	56%	0.555	S	S	.	*	S	Bend	trans	-110.8	-45.7	-175.1	-57	-74.6	0	0	0	113.6	R817 Y859	R817-Y819 VanDerWaalsContact C-N 3.29Å; R817-Y819 PolarHBondContact O-N 3.13Å; Y819-Y859 AromaticContact CD1-CD1 3.89Å; Y819-Y859 HydrophobicContact CD1-CD1 3.89Å; Y819-Y859 HydrophobicContact CD1-CE1 4.1Å; Y819-Y859 AromaticContact CD2-CD1 3.88Å; Y819-Y859 HydrophobicContact CD2-CD1 3.88Å; Y819-Y859 HydrophobicContact CE1-CD1 4.41Å; Y819-Y859 HydrophobicContact CE1-CE1 4.37Å; Y819-Y859 HydrophobicContact CE2-CD1 4.4Å; Y819-Y859 AromaticContact CG-CD1 3.59Å; Y819-Y859 HydrophobicContact CG-CD1 3.59Å; Y819-Y859 HydrophobicContact CG-CE1 4.28Å
820	L	92.8	Very high	92.9	Very high	71 Å²	71	111.5 Å²	111.5	37%	0.372	57%	0.573	S	S	.	*	S	Bend	trans	-114.9	64.9	-172.6	-64.6	174.6	0	0	0	110.7	R817 F855 L860	R817-L820 WeakPolarHBondContact CD-O 3.35Å; L820-F855 HydrophobicContact CD1-CE1 3.79Å; L820-F855 HydrophobicContact CD1-CZ 3.86Å; L820-F855 HydrophobicContact CD2-CZ 4.49Å; L820-L860 HydrophobicContact CB-CD2 4.06Å; L820-L860 HydrophobicContact CD1-CD2 3.73Å; L820-L860 HydrophobicContact CD1-CG 3.98Å
821	M	89.8	Confident	93.2	Very high	141 Å²	141	113.1 Å²	113.1	70%	0.695	58%	0.576	S	S	*	*			trans	-57.1	142	173.1	-64.4	-178.1	72.9	0	0	111.2	R817 N823	R817-M821 VanDerWaalsContact O-CG 3.23Å; R817-M821 WeakPolarHBondContact O-CG 3.38Å; M821-N823 PolarHBondContact O-N 2.92Å
822	R	88.9	Confident	93.4	Very high	130 Å²	130	120.1 Å²	120.1	49%	0.491	60%	0.604	S	S	.	*			trans	-62.8	124.3	170.9	-93.7	-172.7	173.2	-121.8	1.6	110.2	H809 E814	H809-R822 PolarHBondContact CE1-O 2.95Å; E814-R822 WeakPolarHBondContact OE1-CD 3.3Å; E814-R822 WeakPolarHBondContact OE1-CG 3.44Å; E814-R822 IonicContact OE2-NE 3.89Å
823	N	91.8	Very high	93.5	Very high	139 Å²	139	120.2 Å²	120.2	74%	0.743	60%	0.601	S	S	*	*			trans	-129.2	84.2	174	-175.5	12.2	0	0	0	109.9	M821 C825	M821-N823 PolarHBondContact O-N 2.92Å; N823-C825 PolarHBondContact O-N 3.06Å
824	P	94.1	Very high	93.5	Very high	81 Å²	81	119.6 Å²	119.6	53%	0.526	59%	0.592	S	S	.	*			trans	-64.5	123.3	177.3	-19.6	33.7	0	0	0	110.8	H809	H809-P824 WeakPolarHBondContact NE2-CD 3.32Å; H809-P824 VanDerWaalsContact NE2-CG 3.33Å; H809-P824 WeakPolarHBondContact NE2-CG 3.49Å
825	C	93.8	Very high	93.6	Very high	84 Å²	84	121.7 Å²	121.7	57%	0.568	61%	0.61	S	S	*	*			trans	-130.7	153.9	178.4	54.7	0	0	0	0	110.8	N823 T827	N823-C825 PolarHBondContact O-N 3.06Å; C825-T827 PolarHBondContact O-N 2.67Å
826	P	95.7	Very high	93.7	Very high	138 Å²	138	115.9 Å²	115.9	90%	0.896	60%	0.599	S	S	*	*			trans	-66.4	102.1	174.3	-19.5	33	0	0	0	110.8
827	T	96.3	Very high	93.8	Very high	68 Å²	68	116.6 Å²	116.6	42%	0.417	60%	0.599	S	S	.	*			trans	-92.7	151.1	173.6	77.8	0	0	0	0	111	C825 Q833	C825-T827 PolarHBondContact O-N 2.67Å; T827-Q833 PolarHBondContact OG1-NE2 3.34Å; T827-Q833 PolarHBondContact OG1-OE1 3.29Å; T827-Q833 VanDerWaalsContact OG1-OE1 3.05Å
828	L	96.5	Very high	94	Very high	97 Å²	97	119.8 Å²	119.8	51%	0.508	62%	0.617	S	S	.	*			trans	-74.7	134.6	-175.3	-63.9	167.4	0	0	0	110.6	Y830 H831 Q833	L828-Y830 HydrophobicContact CB-CD1 3.93Å; L828-Y830 HydrophobicContact CB-CE1 3.51Å; L828-Y830 HydrophobicContact CD1-CE1 3.79Å; L828-Y830 WeakPolarHBondContact CD1-OH 3.48Å; L828-Y830 HydrophobicContact CG-CE1 4.23Å; L828-Y830 PolarHBondContact O-N 3.09Å; L828-H831 WeakPolarHBondContact O-CB 3.34Å; L828-H831 PolarHBondContact O-N 3.49Å; L828-H831 PolarHBondContact O-ND1 2.68Å; L828-Q833 PolarHBondContact O-NE2 2.87Å
829	P	96.2	Very high	94.2	Very high	118 Å²	118	113.9 Å²	113.9	77%	0.766	59%	0.592	S	S	*	*	T	Hydrogen-bonded Turn	trans	-58.9	-14.1	-168.1	-29	35.6	0	0	0	117.5
830	Y	96.1	Very high	94.3	Very high	178 Å²	178	111.3 Å²	111.3	70%	0.698	59%	0.588	S	S	*	*	T	Hydrogen-bonded Turn	trans	-83	-10.7	174.8	65	-99.5	0	0	0	113.7	L828	L828-Y830 HydrophobicContact CB-CD1 3.93Å; L828-Y830 HydrophobicContact CB-CE1 3.51Å; L828-Y830 HydrophobicContact CD1-CE1 3.79Å; L828-Y830 WeakPolarHBondContact CD1-OH 3.48Å; L828-Y830 HydrophobicContact CG-CE1 4.23Å; L828-Y830 PolarHBondContact O-N 3.09Å
831	H	96.7	Very high	94.5	Very high	98 Å²	98	110.1 Å²	110.1	45%	0.454	58%	0.584	S	S	.	*	S	Bend	trans	-79.7	152.8	168.5	-68.1	87.6	0	0	0	110.8	L828 Q833	L828-H831 WeakPolarHBondContact O-CB 3.34Å; L828-H831 PolarHBondContact O-N 3.49Å; L828-H831 PolarHBondContact O-ND1 2.68Å; H831-Q833 PolarHBondContact O-N 3.46Å; H831-Q833 PolarHBondContact O-NE2 3.23Å
832	H	95.8	Very high	94.8	Very high	179 Å²	179	104.6 Å²	104.6	83%	0.829	56%	0.557	S	S	*	*			trans	-63.1	102.5	175.4	-58.3	154.6	0	0	0	111.1	V834	H832-V834 PolarHBondContact O-N 3.48Å
833	Q	96.5	Very high	95.2	Very high	115 Å²	115	102.7 Å²	102.7	54%	0.537	55%	0.553	S	S	.	*	S	Bend	trans	-70.5	-16.6	178.7	-58.9	-56.7	-57.1	0	0	113.4	T827 L828 H831	T827-Q833 PolarHBondContact OG1-NE2 3.34Å; T827-Q833 PolarHBondContact OG1-OE1 3.29Å; T827-Q833 VanDerWaalsContact OG1-OE1 3.05Å; L828-Q833 PolarHBondContact O-NE2 2.87Å; H831-Q833 PolarHBondContact O-N 3.46Å; H831-Q833 PolarHBondContact O-NE2 3.23Å
834	V	94.8	Very high	95.5	Very high	102 Å²	102	98.9 Å²	98.9	62%	0.618	53%	0.53	S	S	*	.	S	Bend	trans	-133.3	151	179	-65.9	0	0	0	0	110.1	H832	H832-V834 PolarHBondContact O-N 3.48Å
835	P	94.6	Very high	95.7	Very high	96 Å²	96	96.1 Å²	96.1	62%	0.623	51%	0.51	S	S	*	.	P	Polyproline II helix	trans	-58.5	157.9	171.3	-24.1	34.9	0	0	0	112.8
836	P	93.9	Very high	95.9	Very high	83 Å²	83	95.7 Å²	95.7	54%	0.539	50%	0.499	S	S	.	.	P	Polyproline II helix	trans	-56.3	145.5	173.4	-24.1	34.6	0	0	0	112.6	H838 S839	P836-H838 PolarHBondContact O-N 2.64Å; P836-S839 VanDerWaalsContact O-CB 3.25Å; P836-S839 WeakPolarHBondContact O-CB 3.23Å; P836-S839 PolarHBondContact O-N 3.08Å; P836-S839 PolarHBondContact O-OG 2.84Å
837	H	93.4	Very high	95.9	Very high	164 Å²	164	98.2 Å²	98.2	76%	0.759	49%	0.491	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.2	140.5	176.2	-58.8	-61.9	0	0	0	111.7	S839	H837-S839 PolarHBondContact O-N 3.17Å
838	H	93	Very high	96	Very high	143 Å²	143	96.8 Å²	96.8	66%	0.662	48%	0.48	S	S	*	.	T	Hydrogen-bonded Turn	trans	65	18.5	-178.7	-35.9	-73.2	0	0	0	114.9	P836 D840 T841	P836-H838 PolarHBondContact O-N 2.64Å; H838-D840 PolarHBondContact O-N 2.94Å; H838-D840 VanDerWaalsContact O-N 3.12Å; H838-T841 HydrophobicContact CB-CG2 4.04Å; H838-T841 WeakPolarHBondContact O-CG2 3.3Å; H838-T841 PolarHBondContact O-N 3.29Å; H838-T841 PolarHBondContact O-OG1 3.1Å
839	S	95.5	Very high	96.1	Very high	27 Å²	27	95 Å²	95	19%	0.189	48%	0.476	C	S	.	.	T	Hydrogen-bonded Turn	trans	-69.5	0.2	176.5	71.1	0	0	0	0	114.9	P836 H837 F844 Y845	P836-S839 VanDerWaalsContact O-CB 3.25Å; P836-S839 WeakPolarHBondContact O-CB 3.23Å; P836-S839 PolarHBondContact O-N 3.08Å; P836-S839 PolarHBondContact O-OG 2.84Å; H837-S839 PolarHBondContact O-N 3.17Å; S839-F844 WeakPolarHBondContact O-CD1 3.3Å; S839-Y845 WeakPolarHBondContact O-CE2 3.39Å
840	D	94.9	Very high	96.1	Very high	85 Å²	85	91 Å²	91	46%	0.455	45%	0.449	S	S	.	.	T	Hydrogen-bonded Turn	trans	-106	11.1	177.6	76.5	-55	0	0	0	113.2	H838 K864 L868	H838-D840 PolarHBondContact O-N 2.94Å; H838-D840 VanDerWaalsContact O-N 3.12Å; D840-K864 PolarHBondContact O-NZ 3.08Å; D840-K864 IonicContact OD2-NZ 2.81Å; D840-K864 PolarHBondContact OD2-NZ 3.06Å; D840-L868 VanDerWaalsContact O-CD1 3.3Å; D840-L868 WeakPolarHBondContact O-CD1 3.49Å
841	T	96.8	Very high	96.2	Very high	46 Å²	46	87.4 Å²	87.4	28%	0.282	44%	0.439	S	S	.	.	S	Bend	trans	-91.5	151.5	176.1	60.7	0	0	0	0	111.8	H838 E843 F844 Y845	H838-T841 HydrophobicContact CB-CG2 4.04Å; H838-T841 WeakPolarHBondContact O-CG2 3.3Å; H838-T841 PolarHBondContact O-N 3.29Å; H838-T841 PolarHBondContact O-OG1 3.1Å; T841-E843 PolarHBondContact O-N 3.12Å; T841-F844 WeakPolarHBondContact O-CB 3.44Å; T841-F844 PolarHBondContact O-N 2.79Å; T841-F844 VanDerWaalsContact O-N 3.17Å; T841-F844 PolarHBondContact OG1-N 3.28Å; T841-Y845 WeakPolarHBondContact O-CD2 3.18Å; T841-Y845 PolarHBondContact O-N 3.43Å
842	I	96.5	Very high	96.3	Very high	25 Å²	25	85.4 Å²	85.4	13%	0.128	43%	0.434	C	S	.	.	H	α-helix	trans	-69.2	-23.7	178	-171.1	59.1	0	0	0	111.8	F844 Y845 Q846 L868 K871 A872	I842-F844 VanDerWaalsContact C-N 3.31Å; I842-Y845 PolarHBondContact O-N 2.84Å; I842-Q846 VanDerWaalsContact C-NE2 3.32Å; I842-Q846 WeakPolarHBondContact O-CG 3.39Å; I842-Q846 PolarHBondContact O-N 3.21Å; I842-Q846 PolarHBondContact O-NE2 3.09Å; I842-L868 HydrophobicContact CB-CD2 4.14Å; I842-L868 HydrophobicContact CD1-CD2 4.2Å; I842-L868 WeakPolarHBondContact CD1-O 3.42Å; I842-K871 HydrophobicContact CD1-CB 3.79Å; I842-K871 HydrophobicContact CD1-CD 4.4Å; I842-K871 HydrophobicContact CD1-CG 4Å; I842-K871 HydrophobicContact CG1-CD 4.42Å; I842-K871 HydrophobicContact CG1-CG 4.26Å; I842-A872 HydrophobicContact CD1-CB 4.02Å
843	E	96.8	Very high	96.5	Very high	91 Å²	91	76.9 Å²	76.9	43%	0.425	40%	0.395	S	S	.	.	H	α-helix	trans	-69.1	-26.9	173.9	-67.6	58.8	-128.8	0	0	112.4	T841 R847	T841-E843 PolarHBondContact O-N 3.12Å; E843-R847 WeakPolarHBondContact O-CG 3.44Å; E843-R847 PolarHBondContact O-NE 3.29Å; E843-R847 VanDerWaalsContact O-NE 3.12Å
844	F	98	Very high	96.5	Very high	59 Å²	59	71.4 Å²	71.4	26%	0.259	37%	0.369	S	S	.	.	H	α-helix	trans	-73.3	-46.3	170.8	179.3	-96.4	0	0	0	110.6	S839 T841 I842 Q846 R847 L848	S839-F844 WeakPolarHBondContact O-CD1 3.3Å; T841-F844 WeakPolarHBondContact O-CB 3.44Å; T841-F844 PolarHBondContact O-N 2.79Å; T841-F844 VanDerWaalsContact O-N 3.17Å; T841-F844 PolarHBondContact OG1-N 3.28Å; I842-F844 VanDerWaalsContact C-N 3.31Å; F844-Q846 VanDerWaalsContact C-N 3.34Å; F844-Q846 PolarHBondContact O-N 3.02Å; F844-R847 WeakPolarHBondContact O-CB 3.43Å; F844-R847 PolarHBondContact O-N 3.38Å; F844-L848 HydrophobicContact CD1-CD1 4.49Å; F844-L848 HydrophobicContact CE1-CD1 4.28Å; F844-L848 HydrophobicContact CE1-CD2 4Å; F844-L848 HydrophobicContact CE1-CG 4.47Å; F844-L848 HydrophobicContact CZ-CD2 4.25Å
845	Y	98.1	Very high	96.7	Very high	23 Å²	23	70.6 Å²	70.6	9%	0.09	36%	0.357	C	S	.	.	H	α-helix	trans	-64.5	-36.8	-178.7	-79.4	-114.4	0	0	0	112.4	S839 T841 I842 R847 L848 L853 I856 A865 L868	S839-Y845 WeakPolarHBondContact O-CE2 3.39Å; T841-Y845 WeakPolarHBondContact O-CD2 3.18Å; T841-Y845 PolarHBondContact O-N 3.43Å; I842-Y845 PolarHBondContact O-N 2.84Å; Y845-R847 PolarHBondContact O-N 2.97Å; Y845-L848 HydrophobicContact CD1-CD1 4.15Å; Y845-L848 HydrophobicContact CG-CD1 4.22Å; Y845-L848 WeakPolarHBondContact O-CB 3.4Å; Y845-L848 PolarHBondContact O-N 2.91Å; Y845-L853 HydrophobicContact CD1-CD2 3.98Å; Y845-I856 HydrophobicContact CD1-CD1 4.4Å; Y845-I856 HydrophobicContact CE1-CD1 3.87Å; Y845-I856 HydrophobicContact CE1-CG2 4.23Å; Y845-A865 WeakPolarHBondContact CE1-O 3.31Å; Y845-A865 WeakPolarHBondContact OH-CA 3.44Å; Y845-A865 WeakPolarHBondContact OH-CB 3.19Å; Y845-L868 HydrophobicContact CD1-CB 3.68Å; Y845-L868 HydrophobicContact CD2-CB 3.94Å; Y845-L868 HydrophobicContact CD2-CD1 4.04Å; Y845-L868 HydrophobicContact CE1-CB 3.64Å; Y845-L868 HydrophobicContact CE2-CB 3.94Å; Y845-L868 HydrophobicContact CE2-CD1 3.55Å; Y845-L868 HydrophobicContact CE2-CG 4.4Å; Y845-L868 HydrophobicContact CG-CB 3.84Å
846	Q	97.3	Very high	96.9	Very high	74 Å²	74	66.8 Å²	66.8	35%	0.346	33%	0.332	S	S	.	.	T	Hydrogen-bonded Turn	trans	-58.7	-17.2	172.7	-76.5	165.1	73.9	0	0	114.5	I842 F844	I842-Q846 VanDerWaalsContact C-NE2 3.32Å; I842-Q846 WeakPolarHBondContact O-CG 3.39Å; I842-Q846 PolarHBondContact O-N 3.21Å; I842-Q846 PolarHBondContact O-NE2 3.09Å; F844-Q846 VanDerWaalsContact C-N 3.34Å; F844-Q846 PolarHBondContact O-N 3.02Å
847	R	97.1	Very high	97.1	Very high	191 Å²	191	63.9 Å²	63.9	72%	0.721	31%	0.31	S	S	*	.	T	Hydrogen-bonded Turn	trans	-94.7	-6.8	177.5	-58.2	168.9	-165.2	155	9.5	113.4	E843 F844 Y845	E843-R847 WeakPolarHBondContact O-CG 3.44Å; E843-R847 PolarHBondContact O-NE 3.29Å; E843-R847 VanDerWaalsContact O-NE 3.12Å; F844-R847 WeakPolarHBondContact O-CB 3.43Å; F844-R847 PolarHBondContact O-N 3.38Å; Y845-R847 PolarHBondContact O-N 2.97Å
848	L	97.7	Very high	97.3	Very high	38 Å²	38	57.8 Å²	57.8	20%	0.199	28%	0.281	C	S	.	.	S	Bend	trans	-79.8	155.1	177.7	-56.1	178.5	0	0	0	110.1	F844 Y845 T852 L853 I856	F844-L848 HydrophobicContact CD1-CD1 4.49Å; F844-L848 HydrophobicContact CE1-CD1 4.28Å; F844-L848 HydrophobicContact CE1-CD2 4Å; F844-L848 HydrophobicContact CE1-CG 4.47Å; F844-L848 HydrophobicContact CZ-CD2 4.25Å; Y845-L848 HydrophobicContact CD1-CD1 4.15Å; Y845-L848 HydrophobicContact CG-CD1 4.22Å; Y845-L848 WeakPolarHBondContact O-CB 3.4Å; Y845-L848 PolarHBondContact O-N 2.91Å; L848-T852 HydrophobicContact CB-CG2 4.17Å; L848-T852 HydrophobicContact CD1-CG2 4.09Å; L848-T852 HydrophobicContact CD2-CG2 4.41Å; L848-T852 HydrophobicContact CG-CG2 4.45Å; L848-L853 HydrophobicContact CB-CD2 4.08Å; L848-L853 HydrophobicContact CB-CG 4.23Å; L848-L853 HydrophobicContact CD1-CD2 4.11Å; L848-I856 HydrophobicContact CD1-CD1 3.9Å
849	S	98.1	Very high	97.5	Very high	61 Å²	61	54.7 Å²	54.7	43%	0.427	26%	0.264	S	S	.	.			trans	-68	152.2	171.9	68.8	0	0	0	0	110.5	E851 T852 L853	S849-E851 PolarHBondContact O-N 2.77Å; S849-T852 WeakPolarHBondContact O-CA 3.22Å; S849-T852 WeakPolarHBondContact O-CB 3.4Å; S849-T852 PolarHBondContact O-N 2.99Å; S849-T852 PolarHBondContact OG-N 3.33Å; S849-T852 PolarHBondContact OG-OG1 3.21Å; S849-L853 WeakPolarHBondContact O-CG 3.4Å; S849-L853 PolarHBondContact O-N 2.96Å
850	T	97.6	Very high	97.5	Very high	32 Å²	32	55.1 Å²	55.1	20%	0.196	26%	0.264	C	S	.	.	H	α-helix	trans	-55.4	-37.9	174.7	49.2	0	0	0	0	112	T852 L853 F854 L873 W878 Q916	T850-T852 PolarHBondContact O-N 2.87Å; T850-L853 CarbonylContact O-C 3.53Å; T850-L853 WeakPolarHBondContact O-CB 3.34Å; T850-L853 PolarHBondContact O-N 2.65Å; T850-L853 VanDerWaalsContact O-N 3.15Å; T850-F854 WeakPolarHBondContact O-CD2 3.36Å; T850-F854 WeakPolarHBondContact O-CE2 3.44Å; T850-F854 VanDerWaalsContact O-CG 3.25Å; T850-F854 WeakPolarHBondContact O-CG 3.01Å; T850-F854 PolarHBondContact O-N 2.97Å; T850-L873 HydrophobicContact CG2-CD2 4.49Å; T850-W878 HydrophobicContact CG2-CZ2 4.26Å; T850-Q916 PolarHBondContact OG1-NE2 2.91Å; T850-Q916 VanDerWaalsContact OG1-NE2 3.16Å
851	E	98.1	Very high	97.6	Very high	104 Å²	104	57.6 Å²	57.6	49%	0.486	27%	0.273	S	S	.	.	H	α-helix	trans	-58.8	-43	172.3	-172.9	-175.4	-178.4	0	0	112.9	S849 L853 F854 F855 W914	S849-E851 PolarHBondContact O-N 2.77Å; E851-L853 VanDerWaalsContact C-N 3.29Å; E851-L853 PolarHBondContact O-N 3.12Å; E851-F854 PolarHBondContact O-N 3.25Å; E851-F855 WeakPolarHBondContact O-CB 3.39Å; E851-F855 PolarHBondContact O-N 3.15Å; E851-W914 HydrophobicContact CG-CZ2 4.01Å; E851-W914 PolarHBondContact OE1-NE1 3.19Å
852	T	98.4	Very high	97.4	Very high	56 Å²	56	57.8 Å²	57.8	34%	0.344	28%	0.284	S	S	.	.	H	α-helix	trans	-65	-37.6	176	-52.6	0	0	0	0	110.6	L848 S849 T850 F855 I856	L848-T852 HydrophobicContact CB-CG2 4.17Å; L848-T852 HydrophobicContact CD1-CG2 4.09Å; L848-T852 HydrophobicContact CD2-CG2 4.41Å; L848-T852 HydrophobicContact CG-CG2 4.45Å; S849-T852 WeakPolarHBondContact O-CA 3.22Å; S849-T852 WeakPolarHBondContact O-CB 3.4Å; S849-T852 PolarHBondContact O-N 2.99Å; S849-T852 PolarHBondContact OG-N 3.33Å; S849-T852 PolarHBondContact OG-OG1 3.21Å; T850-T852 PolarHBondContact O-N 2.87Å; T852-F855 PolarHBondContact O-N 3.15Å; T852-I856 HydrophobicContact CG2-CD1 4.16Å; T852-I856 VanDerWaalsContact O-CG1 3.3Å; T852-I856 WeakPolarHBondContact O-CG1 3.41Å; T852-I856 PolarHBondContact O-N 3.43Å
853	L	98.4	Very high	97.4	Very high	0 Å²	0	58.6 Å²	58.6	0%	0	29%	0.29	C	S	.	.	H	α-helix	trans	-65.5	-46.5	175.6	-64.8	176.7	0	0	0	111.3	Y845 L848 S849 T850 E851 F855 I856 F857 S869 A872 L873	Y845-L853 HydrophobicContact CD1-CD2 3.98Å; L848-L853 HydrophobicContact CB-CD2 4.08Å; L848-L853 HydrophobicContact CB-CG 4.23Å; L848-L853 HydrophobicContact CD1-CD2 4.11Å; S849-L853 WeakPolarHBondContact O-CG 3.4Å; S849-L853 PolarHBondContact O-N 2.96Å; T850-L853 CarbonylContact O-C 3.53Å; T850-L853 WeakPolarHBondContact O-CB 3.34Å; T850-L853 PolarHBondContact O-N 2.65Å; T850-L853 VanDerWaalsContact O-N 3.15Å; E851-L853 VanDerWaalsContact C-N 3.29Å; E851-L853 PolarHBondContact O-N 3.12Å; L853-F855 VanDerWaalsContact C-N 3.32Å; L853-F855 PolarHBondContact O-N 3.39Å; L853-I856 PolarHBondContact O-N 3.41Å; L853-F857 WeakPolarHBondContact O-CB 3.42Å; L853-F857 PolarHBondContact O-N 3.44Å; L853-S869 WeakPolarHBondContact CA-OG 3.5Å; L853-S869 VanDerWaalsContact CB-OG 3.3Å; L853-S869 WeakPolarHBondContact CB-OG 3.31Å; L853-S869 PolarHBondContact O-OG 3.43Å; L853-A872 HydrophobicContact CD1-CB 3.93Å; L853-A872 HydrophobicContact CD2-CB 4Å; L853-L873 HydrophobicContact CB-CD1 4.1Å; L853-L873 HydrophobicContact CB-CD2 3.81Å; L853-L873 HydrophobicContact CB-CG 3.84Å; L853-L873 HydrophobicContact CD1-CD2 3.92Å; L853-L873 HydrophobicContact CD1-CG 4.09Å
854	F	98.5	Very high	97.4	Very high	0 Å²	0	60.2 Å²	60.2	0%	0	30%	0.296	C	S	.	.	H	α-helix	trans	-61.2	-39.6	173.5	-58.1	-46.9	0	0	0	111.9	T850 E851 I856 F857 Y858 L873 W878 W887 F909 W914	T850-F854 WeakPolarHBondContact O-CD2 3.36Å; T850-F854 WeakPolarHBondContact O-CE2 3.44Å; T850-F854 VanDerWaalsContact O-CG 3.25Å; T850-F854 WeakPolarHBondContact O-CG 3.01Å; T850-F854 PolarHBondContact O-N 2.97Å; E851-F854 PolarHBondContact O-N 3.25Å; F854-I856 PolarHBondContact O-N 2.9Å; F854-F857 PolarHBondContact O-N 3.25Å; F854-F857 VanDerWaalsContact O-N 3.12Å; F854-Y858 HydrophobicContact CB-CD2 4.25Å; F854-Y858 HydrophobicContact CB-CE2 4.19Å; F854-Y858 WeakPolarHBondContact O-CD2 3.33Å; F854-Y858 PolarHBondContact O-N 3.27Å; F854-L873 HydrophobicContact CD1-CD1 3.7Å; F854-L873 HydrophobicContact CD1-CD2 4.1Å; F854-L873 HydrophobicContact CE1-CD1 3.67Å; F854-L873 HydrophobicContact CE1-CD2 3.47Å; F854-L873 VanDerWaalsContact CE1-CD2 3.47Å; F854-L873 HydrophobicContact CE1-CG 4.22Å; F854-L873 HydrophobicContact CZ-CD2 3.82Å; F854-W878 HydrophobicContact CE1-CD2 4.43Å; F854-W878 HydrophobicContact CE1-CE3 4.32Å; F854-W878 HydrophobicContact CE2-CH2 4.32Å; F854-W878 HydrophobicContact CE2-CZ2 4.42Å; F854-W878 AromaticContact CZ-CD2 3.85Å; F854-W878 HydrophobicContact CZ-CD2 3.85Å; F854-W878 AromaticContact CZ-CE2 3.94Å; F854-W878 AromaticContact CZ-CE3 3.76Å; F854-W878 HydrophobicContact CZ-CE3 3.76Å; F854-W878 AromaticContact CZ-CH2 3.93Å; F854-W878 HydrophobicContact CZ-CH2 3.93Å; F854-W878 AromaticContact CZ-CZ2 4Å; F854-W878 HydrophobicContact CZ-CZ2 4Å; F854-W878 AromaticContact CZ-CZ3 3.8Å; F854-W878 HydrophobicContact CZ-CZ3 3.8Å; F854-W887 HydrophobicContact CD1-CB 4.26Å; F854-W887 AromaticContact CD1-CD1 3.82Å; F854-W887 HydrophobicContact CD1-CG 4.11Å; F854-W887 HydrophobicContact CE1-CB 3.5Å; F854-W887 AromaticContact CE1-CD1 3.86Å; F854-W887 HydrophobicContact CE1-CD2 4.49Å; F854-W887 AromaticContact CE1-CG 3.67Å; F854-W887 HydrophobicContact CE1-CG 3.67Å; F854-W887 HydrophobicContact CZ-CB 4.23Å; F854-F909 HydrophobicContact CB-CD1 3.85Å; F854-F909 HydrophobicContact CB-CD2 4.47Å; F854-F909 HydrophobicContact CB-CE1 3.8Å; F854-F909 HydrophobicContact CB-CE2 4.41Å; F854-F909 HydrophobicContact CB-CG 4.18Å; F854-F909 HydrophobicContact CB-CZ 4.08Å; F854-F909 HydrophobicContact CD1-CB 4.24Å; F854-F909 HydrophobicContact CD1-CD1 4.48Å; F854-F909 HydrophobicContact CD1-CG 4.29Å; F854-F909 HydrophobicContact CD2-CB 3.77Å; F854-F909 AromaticContact CD2-CD1 3.88Å; F854-F909 HydrophobicContact CD2-CD1 3.88Å; F854-F909 AromaticContact CD2-CD2 3.14Å; F854-F909 HydrophobicContact CD2-CD2 3.14Å; F854-F909 HydrophobicContact CD2-CE1 4.25Å; F854-F909 AromaticContact CD2-CE2 3.58Å; F854-F909 HydrophobicContact CD2-CE2 3.58Å; F854-F909 AromaticContact CD2-CG 3.29Å; F854-F909 HydrophobicContact CD2-CG 3.29Å; F854-F909 HydrophobicContact CD2-CZ 4.11Å; F854-F909 HydrophobicContact CE1-CB 4.13Å; F854-F909 HydrophobicContact CE2-CB 3.64Å; F854-F909 AromaticContact CE2-CD2 3.47Å; F854-F909 HydrophobicContact CE2-CD2 3.47Å; F854-F909 VanDerWaalsContact CE2-CD2 3.47Å; F854-F909 HydrophobicContact CE2-CE2 4.28Å; F854-F909 AromaticContact CE2-CG 3.66Å; F854-F909 HydrophobicContact CE2-CG 3.66Å; F854-F909 HydrophobicContact CG-CB 4.09Å; F854-F909 AromaticContact CG-CD1 3.82Å; F854-F909 HydrophobicContact CG-CD1 3.82Å; F854-F909 AromaticContact CG-CD2 3.96Å; F854-F909 HydrophobicContact CG-CD2 3.96Å; F854-F909 HydrophobicContact CG-CE1 4.21Å; F854-F909 HydrophobicContact CG-CE2 4.33Å; F854-F909 AromaticContact CG-CG 3.67Å; F854-F909 HydrophobicContact CG-CG 3.67Å; F854-F909 HydrophobicContact CG-CZ 4.45Å; F854-F909 HydrophobicContact CZ-CB 3.84Å; F854-F909 HydrophobicContact CZ-CD2 4.49Å; F854-F909 HydrophobicContact CZ-CG 4.3Å; F854-W914 HydrophobicContact CB-CH2 4.29Å
855	F	98.5	Very high	97.4	Very high	84 Å²	84	58.3 Å²	58.3	37%	0.368	29%	0.291	S	S	.	.	H	α-helix	trans	-58.2	-48.3	175	-177.8	-90	0	0	0	111.7	L820 E851 T852 L853 F857 Y859 W914	L820-F855 HydrophobicContact CD1-CE1 3.79Å; L820-F855 HydrophobicContact CD1-CZ 3.86Å; L820-F855 HydrophobicContact CD2-CZ 4.49Å; E851-F855 WeakPolarHBondContact O-CB 3.39Å; E851-F855 PolarHBondContact O-N 3.15Å; T852-F855 PolarHBondContact O-N 3.15Å; L853-F855 VanDerWaalsContact C-N 3.32Å; L853-F855 PolarHBondContact O-N 3.39Å; F855-F857 VanDerWaalsContact C-N 3.3Å; F855-F857 PolarHBondContact O-N 3.37Å; F855-Y859 AromaticContact CD2-CD2 3.35Å; F855-Y859 HydrophobicContact CD2-CD2 3.35Å; F855-Y859 AromaticContact CD2-CE2 3.75Å; F855-Y859 HydrophobicContact CD2-CE2 3.75Å; F855-Y859 HydrophobicContact CD2-CG 4.38Å; F855-Y859 AromaticContact CE2-CD2 3.49Å; F855-Y859 HydrophobicContact CE2-CD2 3.49Å; F855-Y859 VanDerWaalsContact CE2-CD2 3.49Å; F855-Y859 AromaticContact CE2-CE2 3.94Å; F855-Y859 HydrophobicContact CE2-CE2 3.94Å; F855-Y859 HydrophobicContact CE2-CG 4.17Å; F855-Y859 AromaticContact CG-CD2 3.95Å; F855-Y859 HydrophobicContact CG-CD2 3.95Å; F855-Y859 HydrophobicContact CZ-CD2 4.19Å; F855-Y859 WeakPolarHBondContact O-CB 3.46Å; F855-Y859 WeakPolarHBondContact O-CD2 3.46Å; F855-Y859 PolarHBondContact O-N 3.17Å; F855-W914 HydrophobicContact CB-CH2 4Å; F855-W914 HydrophobicContact CB-CZ2 3.94Å; F855-W914 HydrophobicContact CD2-CH2 4.39Å; F855-W914 HydrophobicContact CD2-CZ2 4.26Å
856	I	98.3	Very high	97.4	Very high	17 Å²	17	59.2 Å²	59.2	9%	0.087	30%	0.296	C	S	.	.	H	α-helix	trans	-64.6	-36.7	175.8	-65.4	163.9	0	0	0	111.1	Y845 L848 T852 L853 F854 L860 A865	Y845-I856 HydrophobicContact CD1-CD1 4.4Å; Y845-I856 HydrophobicContact CE1-CD1 3.87Å; Y845-I856 HydrophobicContact CE1-CG2 4.23Å; L848-I856 HydrophobicContact CD1-CD1 3.9Å; T852-I856 HydrophobicContact CG2-CD1 4.16Å; T852-I856 VanDerWaalsContact O-CG1 3.3Å; T852-I856 WeakPolarHBondContact O-CG1 3.41Å; T852-I856 PolarHBondContact O-N 3.43Å; L853-I856 PolarHBondContact O-N 3.41Å; F854-I856 PolarHBondContact O-N 2.9Å; I856-L860 HydrophobicContact CG1-CD1 4.42Å; I856-L860 HydrophobicContact CG2-CB 4.43Å; I856-L860 HydrophobicContact CG2-CD1 4.24Å; I856-L860 WeakPolarHBondContact O-CB 3.38Å; I856-L860 PolarHBondContact O-N 3.13Å; I856-A865 HydrophobicContact CG2-CB 3.61Å; I856-A865 WeakPolarHBondContact CG2-O 3.48Å
857	F	98	Very high	97.4	Very high	22 Å²	22	62.1 Å²	62.1	10%	0.096	31%	0.305	C	S	.	.	H	α-helix	trans	-67.6	-42.2	-178.3	-177.5	-92.8	0	0	0	113	L853 F854 F855 Q866 A870 F880 W887	L853-F857 WeakPolarHBondContact O-CB 3.42Å; L853-F857 PolarHBondContact O-N 3.44Å; F854-F857 PolarHBondContact O-N 3.25Å; F854-F857 VanDerWaalsContact O-N 3.12Å; F855-F857 VanDerWaalsContact C-N 3.3Å; F855-F857 PolarHBondContact O-N 3.37Å; F857-Q866 HydrophobicContact CD2-CG 3.79Å; F857-Q866 HydrophobicContact CE2-CG 4.14Å; F857-Q866 HydrophobicContact CG-CG 4.44Å; F857-Q866 PolarHBondContact O-NE2 3.35Å; F857-A870 HydrophobicContact CD2-CB 4.15Å; F857-A870 HydrophobicContact CE2-CB 4.16Å; F857-F880 HydrophobicContact CE1-CD2 4.09Å; F857-F880 AromaticContact CE1-CE2 3.42Å; F857-F880 HydrophobicContact CE1-CE2 3.42Å; F857-F880 VanDerWaalsContact CE1-CE2 3.42Å; F857-F880 AromaticContact CE1-CZ 3.84Å; F857-F880 HydrophobicContact CE1-CZ 3.84Å; F857-F880 AromaticContact CZ-CD2 3.93Å; F857-F880 HydrophobicContact CZ-CD2 3.93Å; F857-F880 HydrophobicContact CZ-CE1 4.32Å; F857-F880 AromaticContact CZ-CE2 3.55Å; F857-F880 HydrophobicContact CZ-CE2 3.55Å; F857-F880 HydrophobicContact CZ-CG 4.44Å; F857-F880 AromaticContact CZ-CZ 3.75Å; F857-F880 HydrophobicContact CZ-CZ 3.75Å; F857-W887 AromaticContact CD1-NE1 3.31Å; F857-W887 VanDerWaalsContact CD1-NE1 3.31Å; F857-W887 AromaticContact CD2-CZ2 3.85Å; F857-W887 HydrophobicContact CD2-CZ2 3.85Å; F857-W887 AromaticContact CD2-NE1 3.63Å; F857-W887 AromaticContact CE1-NE1 3.33Å; F857-W887 VanDerWaalsContact CE1-NE1 3.33Å; F857-W887 AromaticContact CE2-CE2 3.92Å; F857-W887 AromaticContact CE2-CZ2 3.58Å; F857-W887 HydrophobicContact CE2-CZ2 3.58Å; F857-W887 AromaticContact CE2-NE1 3.65Å; F857-W887 AromaticContact CG-NE1 3.46Å; F857-W887 HydrophobicContact CZ-CZ2 4.06Å; F857-W887 AromaticContact CZ-NE1 3.49Å
858	Y	97.6	Very high	97.4	Very high	36 Å²	36	53.7 Å²	53.7	14%	0.141	27%	0.273	C	S	.	.	H	α-helix	trans	-90	-35.4	-177.7	-66.1	-66.7	0	0	0	114	F854 M885 F909 Y911 W914	F854-Y858 HydrophobicContact CB-CD2 4.25Å; F854-Y858 HydrophobicContact CB-CE2 4.19Å; F854-Y858 WeakPolarHBondContact O-CD2 3.33Å; F854-Y858 PolarHBondContact O-N 3.27Å; Y858-M885 WeakPolarHBondContact CE1-O 3.22Å; Y858-M885 PolarHBondContact OH-O 2.88Å; Y858-F909 AromaticContact CE2-CD1 3.95Å; Y858-F909 HydrophobicContact CE2-CD1 3.95Å; Y858-F909 HydrophobicContact CE2-CE1 4.32Å; Y858-Y911 AromaticContact CE1-CD1 3.85Å; Y858-Y911 HydrophobicContact CE1-CD1 3.85Å; Y858-Y911 HydrophobicContact CE1-CG 4.28Å; Y858-Y911 AromaticContact CZ-CD1 3.82Å; Y858-W914 HydrophobicContact CD2-CZ3 4.4Å
859	Y	97.4	Very high	97.5	Very high	77 Å²	77	51.9 Å²	51.9	30%	0.302	26%	0.264	S	S	.	.	H	α-helix	trans	-99.9	-9	-173.9	-62.4	-68.8	0	0	0	115	Y819 F855 W914	Y819-Y859 AromaticContact CD1-CD1 3.89Å; Y819-Y859 HydrophobicContact CD1-CD1 3.89Å; Y819-Y859 HydrophobicContact CD1-CE1 4.1Å; Y819-Y859 AromaticContact CD2-CD1 3.88Å; Y819-Y859 HydrophobicContact CD2-CD1 3.88Å; Y819-Y859 HydrophobicContact CE1-CD1 4.41Å; Y819-Y859 HydrophobicContact CE1-CE1 4.37Å; Y819-Y859 HydrophobicContact CE2-CD1 4.4Å; Y819-Y859 AromaticContact CG-CD1 3.59Å; Y819-Y859 HydrophobicContact CG-CD1 3.59Å; Y819-Y859 HydrophobicContact CG-CE1 4.28Å; F855-Y859 AromaticContact CD2-CD2 3.35Å; F855-Y859 HydrophobicContact CD2-CD2 3.35Å; F855-Y859 AromaticContact CD2-CE2 3.75Å; F855-Y859 HydrophobicContact CD2-CE2 3.75Å; F855-Y859 HydrophobicContact CD2-CG 4.38Å; F855-Y859 AromaticContact CE2-CD2 3.49Å; F855-Y859 HydrophobicContact CE2-CD2 3.49Å; F855-Y859 VanDerWaalsContact CE2-CD2 3.49Å; F855-Y859 AromaticContact CE2-CE2 3.94Å; F855-Y859 HydrophobicContact CE2-CE2 3.94Å; F855-Y859 HydrophobicContact CE2-CG 4.17Å; F855-Y859 AromaticContact CG-CD2 3.95Å; F855-Y859 HydrophobicContact CG-CD2 3.95Å; F855-Y859 HydrophobicContact CZ-CD2 4.19Å; F855-Y859 WeakPolarHBondContact O-CB 3.46Å; F855-Y859 WeakPolarHBondContact O-CD2 3.46Å; F855-Y859 PolarHBondContact O-N 3.17Å; Y859-W914 HydrophobicContact CD2-CH2 4.42Å; Y859-W914 HydrophobicContact CD2-CZ3 4.45Å; Y859-W914 HydrophobicContact CE2-CE3 4.19Å; Y859-W914 AromaticContact CE2-CH2 3.9Å; Y859-W914 HydrophobicContact CE2-CH2 3.9Å; Y859-W914 AromaticContact CE2-CZ3 3.6Å; Y859-W914 HydrophobicContact CE2-CZ3 3.6Å
860	L	96.3	Very high	97.5	Very high	36 Å²	36	49.8 Å²	49.8	19%	0.188	25%	0.25	C	S	.	.	S	Bend	trans	-121.1	40.7	173.8	-63.7	173.4	0	0	0	111.9	L820 I856 T863 A865 Q866	L820-L860 HydrophobicContact CB-CD2 4.06Å; L820-L860 HydrophobicContact CD1-CD2 3.73Å; L820-L860 HydrophobicContact CD1-CG 3.98Å; I856-L860 HydrophobicContact CG1-CD1 4.42Å; I856-L860 HydrophobicContact CG2-CB 4.43Å; I856-L860 HydrophobicContact CG2-CD1 4.24Å; I856-L860 WeakPolarHBondContact O-CB 3.38Å; I856-L860 PolarHBondContact O-N 3.13Å; L860-T863 WeakPolarHBondContact O-CB 3.41Å; L860-T863 WeakPolarHBondContact O-CG2 3.37Å; L860-T863 PolarHBondContact O-N 3.48Å; L860-T863 PolarHBondContact O-OG1 3.34Å; L860-A865 HydrophobicContact CD1-CB 4.26Å; L860-Q866 WeakPolarHBondContact O-CB 3.14Å
861	E	95.9	Very high	97.5	Very high	137 Å²	137	52.6 Å²	52.6	64%	0.64	26%	0.26	S	S	*	.	T	Hydrogen-bonded Turn	trans	-50.7	140.7	176.8	-172.2	-179.9	176.2	0	0	113.2	T863	E861-T863 VanDerWaalsContact C-N 3.34Å; E861-T863 PolarHBondContact O-N 3.38Å
862	G	93.8	Very high	97.5	Very high	50 Å²	50	47.7 Å²	47.7	52%	0.515	24%	0.237	S	C	.	.	T	Hydrogen-bonded Turn	trans	73.5	19.8	177.2	0	0	0	0	0	114.8
863	T	96.1	Very high	97.4	Very high	42 Å²	42	45 Å²	45	26%	0.258	22%	0.221	S	C	.	.	S	Bend	trans	-120.7	160.7	-178	73.9	0	0	0	0	113.8	L860 E861 A865 Q866 Y867	L860-T863 WeakPolarHBondContact O-CB 3.41Å; L860-T863 WeakPolarHBondContact O-CG2 3.37Å; L860-T863 PolarHBondContact O-N 3.48Å; L860-T863 PolarHBondContact O-OG1 3.34Å; E861-T863 VanDerWaalsContact C-N 3.34Å; E861-T863 PolarHBondContact O-N 3.38Å; T863-A865 PolarHBondContact O-N 2.84Å; T863-A865 VanDerWaalsContact O-N 3.09Å; T863-A865 WeakPolarHBondContact OG1-CB 3.31Å; T863-A865 PolarHBondContact OG1-N 3Å; T863-Q866 PolarHBondContact O-N 3.01Å; T863-Q866 VanDerWaalsContact O-N 3.08Å; T863-Q866 PolarHBondContact OG1-N 2.82Å; T863-Y867 PolarHBondContact O-N 3.24Å
864	K	96.9	Very high	97.4	Very high	126 Å²	126	48.4 Å²	48.4	55%	0.548	24%	0.236	S	C	.	.	H	α-helix	trans	-51.4	-31.4	168.9	-174.3	-174.4	177.9	-170.9	0	111.9	D840 Y867 L868	D840-K864 PolarHBondContact O-NZ 3.08Å; D840-K864 IonicContact OD2-NZ 2.81Å; D840-K864 PolarHBondContact OD2-NZ 3.06Å; K864-Y867 PolarHBondContact O-N 3.16Å; K864-L868 HydrophobicContact CD-CD1 4.46Å; K864-L868 HydrophobicContact CG-CD1 4.08Å; K864-L868 HydrophobicContact CG-CG 4.35Å; K864-L868 WeakPolarHBondContact O-CB 3.11Å; K864-L868 WeakPolarHBondContact O-CG 3.42Å; K864-L868 PolarHBondContact O-N 3.35Å
865	A	97.1	Very high	97.3	Very high	18 Å²	18	54.6 Å²	54.6	15%	0.149	26%	0.262	C	S	.	.	H	α-helix	trans	-68.8	-42.6	179.3	0	0	0	0	0	112.1	Y845 I856 L860 T863 Y867 L868 S869	Y845-A865 WeakPolarHBondContact CE1-O 3.31Å; Y845-A865 WeakPolarHBondContact OH-CA 3.44Å; Y845-A865 WeakPolarHBondContact OH-CB 3.19Å; I856-A865 HydrophobicContact CG2-CB 3.61Å; I856-A865 WeakPolarHBondContact CG2-O 3.48Å; L860-A865 HydrophobicContact CD1-CB 4.26Å; T863-A865 PolarHBondContact O-N 2.84Å; T863-A865 VanDerWaalsContact O-N 3.09Å; T863-A865 WeakPolarHBondContact OG1-CB 3.31Å; T863-A865 PolarHBondContact OG1-N 3Å; A865-Y867 PolarHBondContact O-N 2.81Å; A865-L868 PolarHBondContact O-N 2.78Å; A865-S869 VanDerWaalsContact O-CB 3.28Å; A865-S869 WeakPolarHBondContact O-CB 3.47Å; A865-S869 PolarHBondContact O-N 3.38Å
866	Q	97.7	Very high	97.1	Very high	43 Å²	43	53.1 Å²	53.1	20%	0.201	26%	0.257	C	S	.	.	H	α-helix	trans	-59.9	-45.3	173.2	179.1	-177.7	49.4	0	0	111.2	F857 L860 T863 S869 A870	F857-Q866 HydrophobicContact CD2-CG 3.79Å; F857-Q866 HydrophobicContact CE2-CG 4.14Å; F857-Q866 HydrophobicContact CG-CG 4.44Å; F857-Q866 PolarHBondContact O-NE2 3.35Å; L860-Q866 WeakPolarHBondContact O-CB 3.14Å; T863-Q866 PolarHBondContact O-N 3.01Å; T863-Q866 VanDerWaalsContact O-N 3.08Å; T863-Q866 PolarHBondContact OG1-N 2.82Å; Q866-S869 WeakPolarHBondContact O-CB 3.45Å; Q866-S869 PolarHBondContact O-N 3.49Å; Q866-A870 WeakPolarHBondContact O-CB 3.27Å; Q866-A870 PolarHBondContact O-N 3.23Å
867	Y	97.6	Very high	97.1	Very high	135 Å²	135	56.5 Å²	56.5	53%	0.529	28%	0.282	S	S	.	.	H	α-helix	trans	-61.1	-48.6	176.9	172.9	-96	0	0	0	112.6	T863 K864 A865 S869 A870 K871	T863-Y867 PolarHBondContact O-N 3.24Å; K864-Y867 PolarHBondContact O-N 3.16Å; A865-Y867 PolarHBondContact O-N 2.81Å; Y867-S869 PolarHBondContact O-N 3.14Å; Y867-A870 PolarHBondContact O-N 3.41Å; Y867-K871 HydrophobicContact CE1-CD 3.91Å; Y867-K871 WeakPolarHBondContact O-CB 3.48Å; Y867-K871 PolarHBondContact O-N 3.47Å; Y867-K871 PolarHBondContact OH-NZ 2.69Å
868	L	98.2	Very high	97	Very high	13 Å²	13	55.8 Å²	55.8	7%	0.068	28%	0.278	C	S	.	.	H	α-helix	trans	-61.9	-35	176.5	-72.4	172.8	0	0	0	111.8	D840 I842 Y845 K864 A865 A872	D840-L868 VanDerWaalsContact O-CD1 3.3Å; D840-L868 WeakPolarHBondContact O-CD1 3.49Å; I842-L868 HydrophobicContact CB-CD2 4.14Å; I842-L868 HydrophobicContact CD1-CD2 4.2Å; I842-L868 WeakPolarHBondContact CD1-O 3.42Å; Y845-L868 HydrophobicContact CD1-CB 3.68Å; Y845-L868 HydrophobicContact CD2-CB 3.94Å; Y845-L868 HydrophobicContact CD2-CD1 4.04Å; Y845-L868 HydrophobicContact CE1-CB 3.64Å; Y845-L868 HydrophobicContact CE2-CB 3.94Å; Y845-L868 HydrophobicContact CE2-CD1 3.55Å; Y845-L868 HydrophobicContact CE2-CG 4.4Å; Y845-L868 HydrophobicContact CG-CB 3.84Å; K864-L868 HydrophobicContact CD-CD1 4.46Å; K864-L868 HydrophobicContact CG-CD1 4.08Å; K864-L868 HydrophobicContact CG-CG 4.35Å; K864-L868 WeakPolarHBondContact O-CB 3.11Å; K864-L868 WeakPolarHBondContact O-CG 3.42Å; K864-L868 PolarHBondContact O-N 3.35Å; A865-L868 PolarHBondContact O-N 2.78Å; L868-A872 WeakPolarHBondContact O-CB 3.1Å; L868-A872 PolarHBondContact O-N 3.43Å
869	S	98.3	Very high	97	Very high	0 Å²	0	58.4 Å²	58.4	0%	0	29%	0.288	C	S	.	.	H	α-helix	trans	-67	-50.8	175.6	-171.4	0	0	0	0	112.3	L853 A865 Q866 Y867 K871 A872 L873	L853-S869 WeakPolarHBondContact CA-OG 3.5Å; L853-S869 VanDerWaalsContact CB-OG 3.3Å; L853-S869 WeakPolarHBondContact CB-OG 3.31Å; L853-S869 PolarHBondContact O-OG 3.43Å; A865-S869 VanDerWaalsContact O-CB 3.28Å; A865-S869 WeakPolarHBondContact O-CB 3.47Å; A865-S869 PolarHBondContact O-N 3.38Å; Q866-S869 WeakPolarHBondContact O-CB 3.45Å; Q866-S869 PolarHBondContact O-N 3.49Å; Y867-S869 PolarHBondContact O-N 3.14Å; S869-K871 VanDerWaalsContact C-N 3.29Å; S869-K871 PolarHBondContact O-N 3.46Å; S869-A872 WeakPolarHBondContact O-CB 3.23Å; S869-A872 PolarHBondContact O-N 3.46Å; S869-L873 WeakPolarHBondContact O-CG 3.46Å; S869-L873 PolarHBondContact O-N 3.03Å
870	A	97.9	Very high	97	Very high	17 Å²	17	55.8 Å²	55.8	14%	0.14	28%	0.278	C	S	.	.	H	α-helix	trans	-57	-42.9	175.1	0	0	0	0	0	111.7	F857 Q866 Y867 A872 L873 K874 W887	F857-A870 HydrophobicContact CD2-CB 4.15Å; F857-A870 HydrophobicContact CE2-CB 4.16Å; Q866-A870 WeakPolarHBondContact O-CB 3.27Å; Q866-A870 PolarHBondContact O-N 3.23Å; Y867-A870 PolarHBondContact O-N 3.41Å; A870-A872 VanDerWaalsContact C-N 3.32Å; A870-A872 PolarHBondContact O-N 3.03Å; A870-L873 PolarHBondContact O-N 3.37Å; A870-K874 WeakPolarHBondContact O-CG 3.47Å; A870-K874 PolarHBondContact O-N 3.12Å; A870-W887 HydrophobicContact CB-CH2 3.89Å; A870-W887 HydrophobicContact CB-CZ2 3.75Å
871	K	97.6	Very high	97	Very high	92 Å²	92	54.1 Å²	54.1	40%	0.4	27%	0.269	S	S	.	.	H	α-helix	trans	-65.6	-31.7	176.8	-165.9	168.8	-163.1	164.6	0	112.8	I842 Y867 S869 K875	I842-K871 HydrophobicContact CD1-CB 3.79Å; I842-K871 HydrophobicContact CD1-CD 4.4Å; I842-K871 HydrophobicContact CD1-CG 4Å; I842-K871 HydrophobicContact CG1-CD 4.42Å; I842-K871 HydrophobicContact CG1-CG 4.26Å; Y867-K871 HydrophobicContact CE1-CD 3.91Å; Y867-K871 WeakPolarHBondContact O-CB 3.48Å; Y867-K871 PolarHBondContact O-N 3.47Å; Y867-K871 PolarHBondContact OH-NZ 2.69Å; S869-K871 VanDerWaalsContact C-N 3.29Å; S869-K871 PolarHBondContact O-N 3.46Å; K871-K875 PolarHBondContact O-N 3.49Å
872	A	98	Very high	97	Very high	0 Å²	0	50 Å²	50	0%	0	25%	0.254	C	S	.	.	H	α-helix	trans	-74.5	-40.2	173.2	0	0	0	0	0	111.8	I842 L853 L868 S869 A870 K875 Q876	I842-A872 HydrophobicContact CD1-CB 4.02Å; L853-A872 HydrophobicContact CD1-CB 3.93Å; L853-A872 HydrophobicContact CD2-CB 4Å; L868-A872 WeakPolarHBondContact O-CB 3.1Å; L868-A872 PolarHBondContact O-N 3.43Å; S869-A872 WeakPolarHBondContact O-CB 3.23Å; S869-A872 PolarHBondContact O-N 3.46Å; A870-A872 VanDerWaalsContact C-N 3.32Å; A870-A872 PolarHBondContact O-N 3.03Å; A872-K875 CarbonylContact O-C 3.27Å; A872-K875 PolarHBondContact O-N 3.4Å; A872-Q876 WeakPolarHBondContact O-CG 3.49Å; A872-Q876 PolarHBondContact O-N 2.9Å
873	L	98.2	Very high	97.1	Very high	0 Å²	0	52.1 Å²	52.1	0%	0	25%	0.249	C	C	.	.	H	α-helix	trans	-62.4	-45.5	174.8	-73.5	169.6	0	0	0	111.7	T850 L853 F854 S869 A870 K875 Q876 S877 W878 W887	T850-L873 HydrophobicContact CG2-CD2 4.49Å; L853-L873 HydrophobicContact CB-CD1 4.1Å; L853-L873 HydrophobicContact CB-CD2 3.81Å; L853-L873 HydrophobicContact CB-CG 3.84Å; L853-L873 HydrophobicContact CD1-CD2 3.92Å; L853-L873 HydrophobicContact CD1-CG 4.09Å; F854-L873 HydrophobicContact CD1-CD1 3.7Å; F854-L873 HydrophobicContact CD1-CD2 4.1Å; F854-L873 HydrophobicContact CE1-CD1 3.67Å; F854-L873 HydrophobicContact CE1-CD2 3.47Å; F854-L873 VanDerWaalsContact CE1-CD2 3.47Å; F854-L873 HydrophobicContact CE1-CG 4.22Å; F854-L873 HydrophobicContact CZ-CD2 3.82Å; S869-L873 WeakPolarHBondContact O-CG 3.46Å; S869-L873 PolarHBondContact O-N 3.03Å; A870-L873 PolarHBondContact O-N 3.37Å; L873-K875 PolarHBondContact O-N 2.82Å; L873-Q876 CarbonylContact O-C 3.6Å; L873-Q876 VanDerWaalsContact O-C 3.27Å; L873-Q876 WeakPolarHBondContact O-CA 3.47Å; L873-Q876 PolarHBondContact O-N 2.68Å; L873-S877 PolarHBondContact O-N 3.48Å; L873-W878 HydrophobicContact CB-CB 4.14Å; L873-W878 HydrophobicContact CD2-CG 4.16Å; L873-W878 WeakPolarHBondContact O-CB 3.34Å; L873-W878 PolarHBondContact O-N 3.5Å; L873-W887 HydrophobicContact CB-CD2 4.37Å; L873-W887 HydrophobicContact CB-CE3 4.06Å; L873-W887 HydrophobicContact CB-CH2 4.08Å; L873-W887 HydrophobicContact CB-CZ2 4.39Å; L873-W887 HydrophobicContact CB-CZ3 3.91Å; L873-W887 HydrophobicContact CD1-CD2 3.91Å; L873-W887 HydrophobicContact CD1-CE3 4.44Å; L873-W887 HydrophobicContact CD1-CG 4.26Å; L873-W887 HydrophobicContact CD1-CZ2 4Å
874	K	96.8	Very high	97.1	Very high	72 Å²	72	54.4 Å²	54.4	31%	0.313	25%	0.253	S	S	.	.	H	α-helix	trans	-58.2	-44.5	171.6	-72	-165	-177.1	-162.9	0	112.5	A870 Q876 S877 W878 W887 E930 D931	A870-K874 WeakPolarHBondContact O-CG 3.47Å; A870-K874 PolarHBondContact O-N 3.12Å; K874-Q876 PolarHBondContact O-N 2.92Å; K874-S877 WeakPolarHBondContact O-CA 3.46Å; K874-S877 PolarHBondContact O-N 3.38Å; K874-W878 WeakPolarHBondContact CA-O 3.48Å; K874-W887 HydrophobicContact CG-CH2 4.23Å; K874-W887 HydrophobicContact CG-CZ3 4.1Å; K874-E930 WeakPolarHBondContact CE-OE1 3.45Å; K874-E930 WeakPolarHBondContact CE-OE2 3.45Å; K874-E930 IonicContact NZ-OE1 3.25Å; K874-E930 IonicContact NZ-OE2 3.68Å; K874-E930 PolarHBondContact NZ-OE2 3.1Å; K874-D931 IonicContact NZ-OD1 3.66Å; K874-D931 PolarHBondContact NZ-OD1 3.17Å; K874-D931 IonicContact NZ-OD2 2.67Å; K874-D931 PolarHBondContact NZ-OD2 2.88Å
875	K	96.5	Very high	97.1	Very high	130 Å²	130	53.3 Å²	53.3	57%	0.565	25%	0.251	S	S	*	.	H	α-helix	trans	-64.4	-22.5	173.3	-82.2	-165	169.3	-165.5	0	113.8	K871 A872 L873 S877	K871-K875 PolarHBondContact O-N 3.49Å; A872-K875 CarbonylContact O-C 3.27Å; A872-K875 PolarHBondContact O-N 3.4Å; L873-K875 PolarHBondContact O-N 2.82Å; K875-S877 VanDerWaalsContact C-N 3.3Å
876	Q	96	Very high	97.2	Very high	53 Å²	53	53.5 Å²	53.5	25%	0.248	25%	0.25	C	C	.	.	T	Hydrogen-bonded Turn	trans	-92.1	19.2	170.5	-68.4	176.3	-2.3	0	0	112.3	A872 L873 K874 W878 Q889	A872-Q876 WeakPolarHBondContact O-CG 3.49Å; A872-Q876 PolarHBondContact O-N 2.9Å; L873-Q876 CarbonylContact O-C 3.6Å; L873-Q876 VanDerWaalsContact O-C 3.27Å; L873-Q876 WeakPolarHBondContact O-CA 3.47Å; L873-Q876 PolarHBondContact O-N 2.68Å; K874-Q876 PolarHBondContact O-N 2.92Å; Q876-W878 VanDerWaalsContact C-N 3.28Å; Q876-W878 PolarHBondContact O-N 3.12Å; Q876-Q889 PolarHBondContact O-NE2 3.38Å
877	S	96.3	Very high	97.2	Very high	88 Å²	88	51.5 Å²	51.5	62%	0.615	24%	0.24	S	C	*	.	T	Hydrogen-bonded Turn	trans	62.2	24.2	177.3	-48.2	0	0	0	0	115.7	L873 K874 K875	L873-S877 PolarHBondContact O-N 3.48Å; K874-S877 WeakPolarHBondContact O-CA 3.46Å; K874-S877 PolarHBondContact O-N 3.38Å; K875-S877 VanDerWaalsContact C-N 3.3Å
878	W	97.8	Very high	97.2	Very high	6 Å²	6	45.4 Å²	45.4	2%	0.023	22%	0.216	C	C	.	.			trans	-85.7	145.4	166.2	-63.3	79.4	0	0	0	110.7	T850 F854 L873 K874 Q876 W887 F888 Q889 I907 Q916	T850-W878 HydrophobicContact CG2-CZ2 4.26Å; F854-W878 HydrophobicContact CE1-CD2 4.43Å; F854-W878 HydrophobicContact CE1-CE3 4.32Å; F854-W878 HydrophobicContact CE2-CH2 4.32Å; F854-W878 HydrophobicContact CE2-CZ2 4.42Å; F854-W878 AromaticContact CZ-CD2 3.85Å; F854-W878 HydrophobicContact CZ-CD2 3.85Å; F854-W878 AromaticContact CZ-CE2 3.94Å; F854-W878 AromaticContact CZ-CE3 3.76Å; F854-W878 HydrophobicContact CZ-CE3 3.76Å; F854-W878 AromaticContact CZ-CH2 3.93Å; F854-W878 HydrophobicContact CZ-CH2 3.93Å; F854-W878 AromaticContact CZ-CZ2 4Å; F854-W878 HydrophobicContact CZ-CZ2 4Å; F854-W878 AromaticContact CZ-CZ3 3.8Å; F854-W878 HydrophobicContact CZ-CZ3 3.8Å; L873-W878 HydrophobicContact CB-CB 4.14Å; L873-W878 HydrophobicContact CD2-CG 4.16Å; L873-W878 WeakPolarHBondContact O-CB 3.34Å; L873-W878 PolarHBondContact O-N 3.5Å; K874-W878 WeakPolarHBondContact CA-O 3.48Å; Q876-W878 VanDerWaalsContact C-N 3.28Å; Q876-W878 PolarHBondContact O-N 3.12Å; W878-W887 HydrophobicContact CB-CE3 3.69Å; W878-W887 HydrophobicContact CB-CZ3 4.29Å; W878-W887 HydrophobicContact CE3-CB 3.92Å; W878-F888 CarbonylContact C-O 3.55Å; W878-F888 WeakPolarHBondContact CA-O 3.2Å; W878-Q889 HydrophobicContact CD2-CB 3.74Å; W878-Q889 HydrophobicContact CE3-CB 3.75Å; W878-Q889 HydrophobicContact CG-CB 4.25Å; W878-Q889 HydrophobicContact CH2-CB 4.22Å; W878-Q889 HydrophobicContact CZ2-CB 4.2Å; W878-Q889 HydrophobicContact CZ3-CB 4Å; W878-I907 HydrophobicContact CH2-CD1 4.08Å; W878-I907 HydrophobicContact CH2-CG1 4.07Å; W878-I907 HydrophobicContact CZ2-CD1 4.33Å; W878-Q916 HydrophobicContact CH2-CG 4.4Å
879	R	96.6	Very high	97.2	Very high	92 Å²	92	47.2 Å²	47.2	35%	0.347	23%	0.225	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.2	133.8	176.6	-65.6	175.6	178.8	-101.6	0.3	109.5	W887 F888 F924 L929	R879-W887 WeakPolarHBondContact O-CA 3.36Å; R879-F888 PolarHBondContact N-O 3.02Å; R879-F888 PolarHBondContact O-N 3.4Å; R879-F924 HydrophobicContact CB-CE2 4.31Å; R879-F924 HydrophobicContact CB-CZ 4.29Å; R879-L929 HydrophobicContact CB-CD1 3.83Å; R879-L929 HydrophobicContact CG-CD1 4.08Å
880	F	97.7	Very high	97.1	Very high	22 Å²	22	52.3 Å²	52.3	10%	0.096	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.6	133.6	175	-167.5	-116.3	0	0	0	110.9	F857 T882 M885 W887 E930	F857-F880 HydrophobicContact CE1-CD2 4.09Å; F857-F880 AromaticContact CE1-CE2 3.42Å; F857-F880 HydrophobicContact CE1-CE2 3.42Å; F857-F880 VanDerWaalsContact CE1-CE2 3.42Å; F857-F880 AromaticContact CE1-CZ 3.84Å; F857-F880 HydrophobicContact CE1-CZ 3.84Å; F857-F880 AromaticContact CZ-CD2 3.93Å; F857-F880 HydrophobicContact CZ-CD2 3.93Å; F857-F880 HydrophobicContact CZ-CE1 4.32Å; F857-F880 AromaticContact CZ-CE2 3.55Å; F857-F880 HydrophobicContact CZ-CE2 3.55Å; F857-F880 HydrophobicContact CZ-CG 4.44Å; F857-F880 AromaticContact CZ-CZ 3.75Å; F857-F880 HydrophobicContact CZ-CZ 3.75Å; F880-T882 HydrophobicContact CD1-CG2 4.5Å; F880-M885 HydrophobicContact CE1-SD 3.76Å; F880-M885 WeakPolarHBondContact CE2-O 3.3Å; F880-M885 VanDerWaalsContact CZ-CA 3.47Å; F880-M885 HydrophobicContact CZ-CB 4Å; F880-M885 HydrophobicContact CZ-CG 4.47Å; F880-M885 HydrophobicContact CZ-SD 3.65Å; F880-W887 HydrophobicContact CB-CD2 4.09Å; F880-W887 HydrophobicContact CB-CE3 4.02Å; F880-W887 HydrophobicContact CB-CH2 4.05Å; F880-W887 HydrophobicContact CB-CZ2 4.1Å; F880-W887 HydrophobicContact CB-CZ3 4.01Å; F880-W887 AromaticContact CD2-CD1 3.72Å; F880-W887 AromaticContact CD2-CD2 3.94Å; F880-W887 HydrophobicContact CD2-CD2 3.94Å; F880-W887 AromaticContact CD2-CE2 3.7Å; F880-W887 AromaticContact CD2-CG 3.97Å; F880-W887 HydrophobicContact CD2-CG 3.97Å; F880-W887 HydrophobicContact CD2-CZ2 4.29Å; F880-W887 AromaticContact CD2-NE1 3.53Å; F880-W887 AromaticContact CE2-NE1 3.96Å; F880-W887 HydrophobicContact CG-CD2 4.5Å; F880-W887 HydrophobicContact CG-CZ2 4.45Å; F880-E930 WeakPolarHBondContact CA-OE1 3.49Å; F880-E930 HydrophobicContact CB-CB 4.35Å; F880-E930 VanDerWaalsContact CB-CD 3.42Å; F880-E930 HydrophobicContact CB-CG 4.29Å; F880-E930 WeakPolarHBondContact CB-OE1 3.08Å; F880-E930 PolarHBondContact N-OE1 2.83Å; F880-E930 PolarHBondContact O-N 2.95Å
881	H	97.1	Very high	97	Very high	0 Å²	0	56 Å²	56	0%	0	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.9	99.6	-179.7	-171	-49.3	0	0	0	110	K883 Y884 M885 M886 F888 F922 F924 Y928	H881-K883 VanDerWaalsContact C-N 3.34Å; H881-K883 PolarHBondContact O-N 3.44Å; H881-Y884 AromaticContact CD2-CD2 3.82Å; H881-Y884 AromaticContact CE1-CD2 3.32Å; H881-Y884 WeakPolarHBondContact CE1-CD2 3.37Å; H881-Y884 AromaticContact CE1-CE2 3.48Å; H881-Y884 VanDerWaalsContact CE1-CE2 3.48Å; H881-Y884 WeakPolarHBondContact CE1-CE2 3.28Å; H881-Y884 AromaticContact CG-CD2 3.72Å; H881-Y884 AromaticContact ND1-CD2 3.4Å; H881-Y884 WeakPolarHBondContact ND1-CD2 3.05Å; H881-Y884 AromaticContact NE2-CD2 3.56Å; H881-Y884 AromaticContact NE2-CE2 3.53Å; H881-Y884 PolarHBondContact O-N 3.07Å; H881-M885 PolarHBondContact O-N 3.19Å; H881-M886 PolarHBondContact N-O 3.37Å; H881-F888 HydrophobicContact CB-CD2 3.65Å; H881-F888 HydrophobicContact CB-CE2 3.57Å; H881-F922 AromaticContact CD2-CZ 3.85Å; H881-F922 AromaticContact NE2-CZ 3.87Å; H881-F924 HydrophobicContact CB-CE2 3.85Å; H881-F924 HydrophobicContact CB-CZ 3.81Å; H881-F924 AromaticContact CD2-CD2 3.73Å; H881-F924 AromaticContact CD2-CE1 3.95Å; H881-F924 AromaticContact CD2-CE2 3.67Å; H881-F924 AromaticContact CD2-CG 3.9Å; H881-F924 AromaticContact CD2-CZ 3.77Å; H881-Y928 CarbonylContact C-O 3.23Å; H881-Y928 WeakPolarHBondContact CA-O 3.36Å; H881-Y928 WeakPolarHBondContact CE1-CB 3.33Å; H881-Y928 AromaticContact CE1-CD2 3.58Å; H881-Y928 AromaticContact CE1-CG 3.73Å; H881-Y928 WeakPolarHBondContact ND1-CB 3.37Å
882	T	95.6	Very high	96.7	Very high	51 Å²	51	55.5 Å²	55.5	31%	0.313	26%	0.257	S	S	.	.	T	Hydrogen-bonded Turn	trans	-55	-41.4	-167.2	61.1	0	0	0	0	113.8	F880 Y884 M885 Y928 E930	F880-T882 HydrophobicContact CD1-CG2 4.5Å; T882-Y884 VanDerWaalsContact C-N 3.32Å; T882-Y884 PolarHBondContact O-N 3.21Å; T882-M885 WeakPolarHBondContact O-CE 3.33Å; T882-M885 PolarHBondContact O-N 3.22Å; T882-M885 VanDerWaalsContact O-SD 3.33Å; T882-Y928 PolarHBondContact N-O 3.05Å; T882-Y928 WeakPolarHBondContact OG1-CA 3.41Å; T882-Y928 PolarHBondContact OG1-O 3.01Å; T882-E930 HydrophobicContact CG2-CB 4.31Å
883	K	95.9	Very high	96.3	Very high	95 Å²	95	64 Å²	64	41%	0.413	30%	0.297	S	S	.	.	T	Hydrogen-bonded Turn	trans	-57.5	-37.6	175.7	-166.4	-166	-159	148.6	0	114.8	H881 E925 Y928	H881-K883 VanDerWaalsContact C-N 3.34Å; H881-K883 PolarHBondContact O-N 3.44Å; K883-E925 IonicContact NZ-OE1 3.74Å; K883-E925 PolarHBondContact NZ-OE1 3.15Å; K883-E925 VanDerWaalsContact NZ-OE1 3.14Å; K883-Y928 HydrophobicContact CB-CD1 3.71Å; K883-Y928 HydrophobicContact CB-CD2 3.98Å; K883-Y928 HydrophobicContact CB-CE1 3.92Å; K883-Y928 HydrophobicContact CB-CE2 4.22Å; K883-Y928 HydrophobicContact CB-CG 3.71Å; K883-Y928 HydrophobicContact CD-CD2 3.91Å; K883-Y928 HydrophobicContact CD-CE1 4.32Å; K883-Y928 HydrophobicContact CD-CE2 3.52Å; K883-Y928 HydrophobicContact CD-CG 4.47Å; K883-Y928 HydrophobicContact CG-CD1 4.43Å; K883-Y928 HydrophobicContact CG-CD2 4.46Å; K883-Y928 HydrophobicContact CG-CE1 4.14Å; K883-Y928 HydrophobicContact CG-CE2 4.22Å; K883-Y928 VanDerWaalsContact NZ-CE2 3.33Å; K883-Y928 PolarHBondContact NZ-OH 3.4Å
884	Y	96	Very high	96	Very high	89 Å²	89	65 Å²	65	35%	0.349	30%	0.303	S	S	.	.	T	Hydrogen-bonded Turn	trans	-100.9	-10.6	-174.5	-65.2	-56.8	0	0	0	112.3	H881 T882 M886 F888 F922	H881-Y884 AromaticContact CD2-CD2 3.82Å; H881-Y884 AromaticContact CE1-CD2 3.32Å; H881-Y884 WeakPolarHBondContact CE1-CD2 3.37Å; H881-Y884 AromaticContact CE1-CE2 3.48Å; H881-Y884 VanDerWaalsContact CE1-CE2 3.48Å; H881-Y884 WeakPolarHBondContact CE1-CE2 3.28Å; H881-Y884 AromaticContact CG-CD2 3.72Å; H881-Y884 AromaticContact ND1-CD2 3.4Å; H881-Y884 WeakPolarHBondContact ND1-CD2 3.05Å; H881-Y884 AromaticContact NE2-CD2 3.56Å; H881-Y884 AromaticContact NE2-CE2 3.53Å; H881-Y884 PolarHBondContact O-N 3.07Å; T882-Y884 VanDerWaalsContact C-N 3.32Å; T882-Y884 PolarHBondContact O-N 3.21Å; Y884-M886 WeakPolarHBondContact O-CG 3.38Å; Y884-M886 PolarHBondContact O-N 2.82Å; Y884-F888 HydrophobicContact CD2-CE2 4.4Å; Y884-F888 HydrophobicContact CD2-CZ 4.22Å; Y884-F922 HydrophobicContact CD2-CZ 4.18Å; Y884-F922 AromaticContact CE2-CE2 3.82Å; Y884-F922 HydrophobicContact CE2-CE2 3.82Å; Y884-F922 AromaticContact CE2-CZ 3.78Å; Y884-F922 HydrophobicContact CE2-CZ 3.78Å
885	M	96.8	Very high	95.8	Very high	103 Å²	103	69.5 Å²	69.5	51%	0.507	32%	0.323	S	S	.	.	T	Hydrogen-bonded Turn	trans	51.2	34.4	-170.9	-59.2	-63.3	179.6	0	0	112.8	Y858 F880 H881 T882 Y911	Y858-M885 WeakPolarHBondContact CE1-O 3.22Å; Y858-M885 PolarHBondContact OH-O 2.88Å; F880-M885 HydrophobicContact CE1-SD 3.76Å; F880-M885 WeakPolarHBondContact CE2-O 3.3Å; F880-M885 VanDerWaalsContact CZ-CA 3.47Å; F880-M885 HydrophobicContact CZ-CB 4Å; F880-M885 HydrophobicContact CZ-CG 4.47Å; F880-M885 HydrophobicContact CZ-SD 3.65Å; H881-M885 PolarHBondContact O-N 3.19Å; T882-M885 WeakPolarHBondContact O-CE 3.33Å; T882-M885 PolarHBondContact O-N 3.22Å; T882-M885 VanDerWaalsContact O-SD 3.33Å; M885-Y911 HydrophobicContact CB-CE1 4.32Å; M885-Y911 WeakPolarHBondContact O-CE1 3.43Å
886	M	97.8	Very high	95.6	Very high	23 Å²	23	66.3 Å²	66.3	11%	0.113	31%	0.314	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123	146.1	-176.5	-75.4	179	-176.5	0	0	111.4	H881 Y884 F888 Y908 F909 Y911	H881-M886 PolarHBondContact N-O 3.37Å; Y884-M886 WeakPolarHBondContact O-CG 3.38Å; Y884-M886 PolarHBondContact O-N 2.82Å; M886-F888 HydrophobicContact CB-CD2 4.39Å; M886-F888 HydrophobicContact CB-CE2 3.75Å; M886-F888 HydrophobicContact CB-CZ 4.44Å; M886-F888 WeakPolarHBondContact O-CD2 3.39Å; M886-Y908 HydrophobicContact SD-CD2 3.65Å; M886-Y908 HydrophobicContact SD-CE2 3.73Å; M886-F909 WeakPolarHBondContact CG-O 3.41Å; M886-Y911 HydrophobicContact CE-CD1 3.71Å; M886-Y911 HydrophobicContact CE-CE1 3.5Å; M886-Y911 VanDerWaalsContact CE-CE1 3.5Å; M886-Y911 HydrophobicContact CE-CG 4.34Å; M886-Y911 HydrophobicContact CG-CD1 3.69Å; M886-Y911 HydrophobicContact CG-CE1 3.64Å; M886-Y911 HydrophobicContact SD-CE1 4.46Å
887	W	98.3	Very high	95.5	Very high	0 Å²	0	68.4 Å²	68.4	0%	0	33%	0.326	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.4	132.7	171.9	-71.6	91.4	0	0	0	110.7	F854 F857 A870 L873 K874 W878 R879 F880 Y908 F909	F854-W887 HydrophobicContact CD1-CB 4.26Å; F854-W887 AromaticContact CD1-CD1 3.82Å; F854-W887 HydrophobicContact CD1-CG 4.11Å; F854-W887 HydrophobicContact CE1-CB 3.5Å; F854-W887 AromaticContact CE1-CD1 3.86Å; F854-W887 HydrophobicContact CE1-CD2 4.49Å; F854-W887 AromaticContact CE1-CG 3.67Å; F854-W887 HydrophobicContact CE1-CG 3.67Å; F854-W887 HydrophobicContact CZ-CB 4.23Å; F857-W887 AromaticContact CD1-NE1 3.31Å; F857-W887 VanDerWaalsContact CD1-NE1 3.31Å; F857-W887 AromaticContact CD2-CZ2 3.85Å; F857-W887 HydrophobicContact CD2-CZ2 3.85Å; F857-W887 AromaticContact CD2-NE1 3.63Å; F857-W887 AromaticContact CE1-NE1 3.33Å; F857-W887 VanDerWaalsContact CE1-NE1 3.33Å; F857-W887 AromaticContact CE2-CE2 3.92Å; F857-W887 AromaticContact CE2-CZ2 3.58Å; F857-W887 HydrophobicContact CE2-CZ2 3.58Å; F857-W887 AromaticContact CE2-NE1 3.65Å; F857-W887 AromaticContact CG-NE1 3.46Å; F857-W887 HydrophobicContact CZ-CZ2 4.06Å; F857-W887 AromaticContact CZ-NE1 3.49Å; A870-W887 HydrophobicContact CB-CH2 3.89Å; A870-W887 HydrophobicContact CB-CZ2 3.75Å; L873-W887 HydrophobicContact CB-CD2 4.37Å; L873-W887 HydrophobicContact CB-CE3 4.06Å; L873-W887 HydrophobicContact CB-CH2 4.08Å; L873-W887 HydrophobicContact CB-CZ2 4.39Å; L873-W887 HydrophobicContact CB-CZ3 3.91Å; L873-W887 HydrophobicContact CD1-CD2 3.91Å; L873-W887 HydrophobicContact CD1-CE3 4.44Å; L873-W887 HydrophobicContact CD1-CG 4.26Å; L873-W887 HydrophobicContact CD1-CZ2 4Å; K874-W887 HydrophobicContact CG-CH2 4.23Å; K874-W887 HydrophobicContact CG-CZ3 4.1Å; W878-W887 HydrophobicContact CB-CE3 3.69Å; W878-W887 HydrophobicContact CB-CZ3 4.29Å; W878-W887 HydrophobicContact CE3-CB 3.92Å; R879-W887 WeakPolarHBondContact O-CA 3.36Å; F880-W887 HydrophobicContact CB-CD2 4.09Å; F880-W887 HydrophobicContact CB-CE3 4.02Å; F880-W887 HydrophobicContact CB-CH2 4.05Å; F880-W887 HydrophobicContact CB-CZ2 4.1Å; F880-W887 HydrophobicContact CB-CZ3 4.01Å; F880-W887 AromaticContact CD2-CD1 3.72Å; F880-W887 AromaticContact CD2-CD2 3.94Å; F880-W887 HydrophobicContact CD2-CD2 3.94Å; F880-W887 AromaticContact CD2-CE2 3.7Å; F880-W887 AromaticContact CD2-CG 3.97Å; F880-W887 HydrophobicContact CD2-CG 3.97Å; F880-W887 HydrophobicContact CD2-CZ2 4.29Å; F880-W887 AromaticContact CD2-NE1 3.53Å; F880-W887 AromaticContact CE2-NE1 3.96Å; F880-W887 HydrophobicContact CG-CD2 4.5Å; F880-W887 HydrophobicContact CG-CZ2 4.45Å; W887-Y908 CarbonylContact O-C 3.5Å; W887-Y908 WeakPolarHBondContact O-CA 3.37Å; W887-Y908 WeakPolarHBondContact O-CB 3.37Å; W887-F909 PolarHBondContact O-N 2.87Å
888	F	98	Very high	95.5	Very high	7 Å²	7	66.2 Å²	66.2	3%	0.031	31%	0.309	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.1	148.3	178.4	-68.9	-106.1	0	0	0	110.9	W878 R879 H881 Y884 M886 Y906 I907 Y908 F922 F924	W878-F888 CarbonylContact C-O 3.55Å; W878-F888 WeakPolarHBondContact CA-O 3.2Å; R879-F888 PolarHBondContact N-O 3.02Å; R879-F888 PolarHBondContact O-N 3.4Å; H881-F888 HydrophobicContact CB-CD2 3.65Å; H881-F888 HydrophobicContact CB-CE2 3.57Å; Y884-F888 HydrophobicContact CD2-CE2 4.4Å; Y884-F888 HydrophobicContact CD2-CZ 4.22Å; M886-F888 HydrophobicContact CB-CD2 4.39Å; M886-F888 HydrophobicContact CB-CE2 3.75Å; M886-F888 HydrophobicContact CB-CZ 4.44Å; M886-F888 WeakPolarHBondContact O-CD2 3.39Å; F888-Y906 HydrophobicContact CB-CD1 4.41Å; F888-Y906 HydrophobicContact CD1-CG 4.49Å; F888-I907 CarbonylContact C-O 3.58Å; F888-I907 WeakPolarHBondContact CA-O 3.3Å; F888-Y908 HydrophobicContact CD1-CG 4.41Å; F888-Y908 HydrophobicContact CE1-CD1 4.34Å; F888-Y908 HydrophobicContact CE1-CG 4.01Å; F888-Y908 HydrophobicContact CZ-CG 4.33Å; F888-F922 AromaticContact CD1-CD1 3.96Å; F888-F922 HydrophobicContact CD1-CD1 3.96Å; F888-F922 AromaticContact CD1-CE1 3.6Å; F888-F922 HydrophobicContact CD1-CE1 3.6Å; F888-F922 HydrophobicContact CD1-CZ 4.32Å; F888-F922 AromaticContact CE1-CD1 3.75Å; F888-F922 HydrophobicContact CE1-CD1 3.75Å; F888-F922 AromaticContact CE1-CE1 3.28Å; F888-F922 HydrophobicContact CE1-CE1 3.28Å; F888-F922 HydrophobicContact CE1-CE2 4.27Å; F888-F922 HydrophobicContact CE1-CG 4.41Å; F888-F922 AromaticContact CE1-CZ 3.58Å; F888-F922 HydrophobicContact CE1-CZ 3.58Å; F888-F922 HydrophobicContact CG-CE1 4.4Å; F888-F922 AromaticContact CZ-CE1 3.84Å; F888-F922 HydrophobicContact CZ-CE1 3.84Å; F888-F922 HydrophobicContact CZ-CE2 4.45Å; F888-F922 AromaticContact CZ-CZ 3.7Å; F888-F922 HydrophobicContact CZ-CZ 3.7Å; F888-F924 HydrophobicContact CB-CD2 4.24Å; F888-F924 HydrophobicContact CB-CE2 4Å; F888-F924 HydrophobicContact CD2-CE2 4.15Å; F888-F924 HydrophobicContact CG-CD2 4.27Å; F888-F924 HydrophobicContact CG-CE2 4.16Å
889	Q	97.7	Very high	95.3	Very high	52 Å²	52	73.4 Å²	73.4	24%	0.243	35%	0.348	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.7	138.3	171.4	-177.4	179.8	53.8	0	0	108.5	Q876 W878 H891 Y906 I907	Q876-Q889 PolarHBondContact O-NE2 3.38Å; W878-Q889 HydrophobicContact CD2-CB 3.74Å; W878-Q889 HydrophobicContact CE3-CB 3.75Å; W878-Q889 HydrophobicContact CG-CB 4.25Å; W878-Q889 HydrophobicContact CH2-CB 4.22Å; W878-Q889 HydrophobicContact CZ2-CB 4.2Å; W878-Q889 HydrophobicContact CZ3-CB 4Å; Q889-H891 PolarHBondContact O-N 3.45Å; Q889-Y906 WeakPolarHBondContact O-CA 3.44Å; Q889-I907 HydrophobicContact CB-CG1 4.03Å; Q889-I907 PolarHBondContact N-O 2.98Å; Q889-I907 PolarHBondContact O-N 3.01Å
890	R	97.1	Very high	95.2	Very high	106 Å²	106	75.1 Å²	75.1	40%	0.4	36%	0.36	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-63.1	124.9	174.9	-68.7	175.5	-177.9	168.3	1	108.9	E902 Y906	R890-E902 IonicContact CZ-OE2 2.8Å; R890-E902 IonicContact NE-OE1 3.09Å; R890-E902 PolarHBondContact NE-OE1 2.86Å; R890-E902 IonicContact NE-OE2 3.88Å; R890-E902 PolarHBondContact NE-OE2 2.93Å; R890-E902 IonicContact NH2-OE1 3.78Å; R890-E902 IonicContact NH2-OE2 2.87Å; R890-E902 PolarHBondContact NH2-OE2 3.27Å; R890-Y906 HydrophobicContact CB-CE1 4.42Å; R890-Y906 HydrophobicContact CG-CD1 4.22Å; R890-Y906 HydrophobicContact CG-CE1 3.59Å
891	H	94.8	Very high	95.1	Very high	96 Å²	96	77 Å²	77	44%	0.444	37%	0.368	S	S	.	.	S	Bend	trans	-89	-36.3	175.4	178.7	-82	0	0	0	111.2	Q889 T905 I907 K918	Q889-H891 PolarHBondContact O-N 3.45Å; H891-T905 HydrophobicContact CB-CG2 4.1Å; H891-T905 WeakPolarHBondContact CB-O 3.4Å; H891-T905 PolarHBondContact N-O 2.98Å; H891-I907 HydrophobicContact CB-CG2 4.34Å; H891-K918 VanDerWaalsContact CE1-CE 3.47Å; H891-K918 WeakPolarHBondContact CE1-CE 3.5Å; H891-K918 WeakPolarHBondContact ND1-CE 3.3Å
892	E	91.3	Very high	95	Very high	81 Å²	81	77 Å²	77	38%	0.379	37%	0.368	S	S	.	.	S	Bend	trans	-130.6	168	170.5	-68.2	134.5	-137.9	0	0	107.2	T905 K918	E892-T905 PolarHBondContact N-O 3.11Å; E892-T905 WeakPolarHBondContact OE1-CG2 3.29Å; E892-T905 WeakPolarHBondContact OE2-CB 3.49Å; E892-T905 PolarHBondContact OE2-OG1 3Å; E892-K918 IonicContact OE1-NZ 2.71Å; E892-K918 PolarHBondContact OE1-NZ 3.48Å
893	E	90.3	Very high	95.1	Very high	179 Å²	179	78.1 Å²	78.1	84%	0.836	37%	0.37	S	S	*	.			trans	-61.6	144	169.2	-65.3	-176.2	150.9	0	0	110.7
894	P	92.2	Very high	95.1	Very high	20 Å²	20	73.6 Å²	73.6	13%	0.13	35%	0.35	C	S	.	.			trans	-62.7	141	178.7	-17.1	29.2	0	0	0	111.4	T896 I897 E902 Q903	P894-T896 VanDerWaalsContact C-N 3.28Å; P894-I897 HydrophobicContact CB-CD1 4.22Å; P894-I897 HydrophobicContact CB-CG1 3.77Å; P894-I897 HydrophobicContact CG-CD1 3.98Å; P894-I897 HydrophobicContact CG-CG1 4.03Å; P894-E902 HydrophobicContact CB-CB 4.12Å; P894-E902 HydrophobicContact CG-CB 4.17Å; P894-E902 VanDerWaalsContact CG-OE2 3.22Å; P894-E902 WeakPolarHBondContact CG-OE2 3.48Å; P894-Q903 CarbonylContact C-O 3.58Å; P894-Q903 WeakPolarHBondContact CB-O 3.46Å
895	K	91.6	Very high	95.2	Very high	167 Å²	167	69.5 Å²	69.5	73%	0.726	33%	0.334	S	S	*	.	S	Bend	trans	-74.8	-22.7	178.3	-64.4	-178.7	-179	176.6	0	112.5	Q903	K895-Q903 PolarHBondContact N-O 2.69Å
896	T	93.3	Very high	95.2	Very high	62 Å²	62	64.7 Å²	64.7	38%	0.38	31%	0.311	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-143.5	134.5	176.6	-50.5	0	0	0	0	108.1	P894 T898 F901 E902 Q903	P894-T896 VanDerWaalsContact C-N 3.28Å; T896-T898 HydrophobicContact CG2-CG2 4.16Å; T896-F901 HydrophobicContact CG2-CE2 4.33Å; T896-E902 CarbonylContact O-C 3.57Å; T896-E902 WeakPolarHBondContact O-CA 3.48Å; T896-Q903 PolarHBondContact N-O 3.19Å; T896-Q903 PolarHBondContact O-N 2.75Å
897	I	94.4	Very high	95.2	Very high	98 Å²	98	65 Å²	65	50%	0.503	31%	0.313	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.2	127.1	169.2	-54.4	177.8	0	0	0	106.1	P894 E902	P894-I897 HydrophobicContact CB-CD1 4.22Å; P894-I897 HydrophobicContact CB-CG1 3.77Å; P894-I897 HydrophobicContact CG-CD1 3.98Å; P894-I897 HydrophobicContact CG-CG1 4.03Å; I897-E902 HydrophobicContact CG1-CB 4.24Å
898	T	95.4	Very high	95.2	Very high	41 Å²	41	67 Å²	67	25%	0.252	32%	0.321	S	S	.	.			trans	-125.1	175.1	169.1	73.4	0	0	0	0	108.3	T896 E900 F901 Y926	T896-T898 HydrophobicContact CG2-CG2 4.16Å; T898-E900 WeakPolarHBondContact CB-OE2 3.42Å; T898-E900 PolarHBondContact O-N 3.15Å; T898-E900 PolarHBondContact OG1-N 2.78Å; T898-E900 PolarHBondContact OG1-OE2 3.13Å; T898-F901 HydrophobicContact CG2-CE1 4.12Å; T898-F901 HydrophobicContact CG2-CE2 4.45Å; T898-F901 HydrophobicContact CG2-CZ 4Å; T898-F901 PolarHBondContact N-O 3.06Å; T898-F901 VanDerWaalsContact OG1-CD1 3.31Å; T898-F901 WeakPolarHBondContact OG1-CD1 3.3Å; T898-F901 WeakPolarHBondContact OG1-CE1 3.31Å; T898-F901 PolarHBondContact OG1-N 2.78Å; T898-F901 PolarHBondContact OG1-O 3.2Å; T898-Y926 WeakPolarHBondContact O-CE2 3.24Å
899	D	92.8	Very high	95.3	Very high	158 Å²	158	66.9 Å²	66.9	85%	0.845	32%	0.32	S	S	*	.	S	Bend	trans	-70.4	-18	-179	-53	-45.1	0	0	0	112.4
900	E	94.3	Very high	95.3	Very high	127 Å²	127	64.6 Å²	64.6	59%	0.593	31%	0.309	S	S	*	.	S	Bend	trans	-100.4	-25.6	179.9	-38.8	88	158.1	0	0	114.1	T898 Y926	T898-E900 WeakPolarHBondContact CB-OE2 3.42Å; T898-E900 PolarHBondContact O-N 3.15Å; T898-E900 PolarHBondContact OG1-N 2.78Å; T898-E900 PolarHBondContact OG1-OE2 3.13Å; E900-Y926 PolarHBondContact O-N 2.87Å
901	F	95.6	Very high	95.2	Very high	62 Å²	62	63.6 Å²	63.6	27%	0.272	31%	0.306	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-157.1	158.8	-178.2	69.4	-92.8	0	0	0	114.9	T896 T898 Q903 T923 F924	T896-F901 HydrophobicContact CG2-CE2 4.33Å; T898-F901 HydrophobicContact CG2-CE1 4.12Å; T898-F901 HydrophobicContact CG2-CE2 4.45Å; T898-F901 HydrophobicContact CG2-CZ 4Å; T898-F901 PolarHBondContact N-O 3.06Å; T898-F901 VanDerWaalsContact OG1-CD1 3.31Å; T898-F901 WeakPolarHBondContact OG1-CD1 3.3Å; T898-F901 WeakPolarHBondContact OG1-CE1 3.31Å; T898-F901 PolarHBondContact OG1-N 2.78Å; T898-F901 PolarHBondContact OG1-O 3.2Å; F901-Q903 HydrophobicContact CD2-CB 4.32Å; F901-Q903 HydrophobicContact CE2-CB 4.22Å; F901-T923 HydrophobicContact CB-CG2 3.81Å; F901-T923 HydrophobicContact CD2-CG2 3.59Å; F901-T923 HydrophobicContact CE2-CG2 4.33Å; F901-T923 HydrophobicContact CG-CG2 3.79Å; F901-F924 VanDerWaalsContact CA-O 3.3Å; F901-F924 WeakPolarHBondContact CA-O 3.13Å; F901-F924 WeakPolarHBondContact CB-O 3.49Å
902	E	96.1	Very high	95.2	Very high	0 Å²	0	65.8 Å²	65.8	0%	0	32%	0.317	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.9	133.5	162.3	53.9	173.3	-174.6	0	0	111.2	R890 P894 T896 I897 Y906 T923 F924 Y926	R890-E902 IonicContact CZ-OE2 2.8Å; R890-E902 IonicContact NE-OE1 3.09Å; R890-E902 PolarHBondContact NE-OE1 2.86Å; R890-E902 IonicContact NE-OE2 3.88Å; R890-E902 PolarHBondContact NE-OE2 2.93Å; R890-E902 IonicContact NH2-OE1 3.78Å; R890-E902 IonicContact NH2-OE2 2.87Å; R890-E902 PolarHBondContact NH2-OE2 3.27Å; P894-E902 HydrophobicContact CB-CB 4.12Å; P894-E902 HydrophobicContact CG-CB 4.17Å; P894-E902 VanDerWaalsContact CG-OE2 3.22Å; P894-E902 WeakPolarHBondContact CG-OE2 3.48Å; T896-E902 CarbonylContact O-C 3.57Å; T896-E902 WeakPolarHBondContact O-CA 3.48Å; I897-E902 HydrophobicContact CG1-CB 4.24Å; E902-Y906 WeakPolarHBondContact CG-OH 3.18Å; E902-Y906 PolarHBondContact OE1-OH 2.8Å; E902-Y906 PolarHBondContact OE2-OH 3.37Å; E902-T923 WeakPolarHBondContact O-CA 3.38Å; E902-F924 HydrophobicContact CG-CB 3.93Å; E902-F924 PolarHBondContact N-O 2.63Å; E902-F924 PolarHBondContact O-N 3.49Å; E902-Y926 HydrophobicContact CB-CE1 4.42Å; E902-Y926 HydrophobicContact CG-CE1 3.72Å
903	Q	96.9	Very high	95.4	Very high	74 Å²	74	67.8 Å²	67.8	35%	0.346	32%	0.324	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.3	125.7	175.8	-166.8	178.9	22.4	0	0	111	P894 K895 T896 F901 G921 F922 T923	P894-Q903 CarbonylContact C-O 3.58Å; P894-Q903 WeakPolarHBondContact CB-O 3.46Å; K895-Q903 PolarHBondContact N-O 2.69Å; T896-Q903 PolarHBondContact N-O 3.19Å; T896-Q903 PolarHBondContact O-N 2.75Å; F901-Q903 HydrophobicContact CD2-CB 4.32Å; F901-Q903 HydrophobicContact CE2-CB 4.22Å; Q903-G921 PolarHBondContact NE2-O 3.42Å; Q903-F922 WeakPolarHBondContact CA-O 3.33Å; Q903-T923 PolarHBondContact NE2-OG1 3.31Å
904	G	96.2	Very high	95.7	Very high	1 Å²	1	62.9 Å²	62.9	1%	0.01	30%	0.298	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-171.4	-159.8	-170.1	0	0	0	0	0	114.9	G921 F922	G904-G921 CarbonylContact O-C 3.59Å; G904-G921 WeakPolarHBondContact O-CA 3.38Å; G904-G921 PolarHBondContact O-N 2.95Å; G904-F922 PolarHBondContact N-O 3.36Å; G904-F922 PolarHBondContact O-N 2.97Å
905	T	97.8	Very high	95.9	Very high	2 Å²	2	62.7 Å²	62.7	1%	0.012	30%	0.299	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.6	120	178.7	-50.9	0	0	0	0	109.3	H891 E892 K918 E920	H891-T905 HydrophobicContact CB-CG2 4.1Å; H891-T905 WeakPolarHBondContact CB-O 3.4Å; H891-T905 PolarHBondContact N-O 2.98Å; E892-T905 PolarHBondContact N-O 3.11Å; E892-T905 WeakPolarHBondContact OE1-CG2 3.29Å; E892-T905 WeakPolarHBondContact OE2-CB 3.49Å; E892-T905 PolarHBondContact OE2-OG1 3Å; T905-K918 HydrophobicContact CG2-CD 4.38Å; T905-K918 HydrophobicContact CG2-CG 4.4Å; T905-E920 HydrophobicContact CG2-CG 4.13Å
906	Y	98	Very high	96.2	Very high	3 Å²	3	59 Å²	59	1%	0.012	29%	0.285	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.8	153	-176	-63.2	-95.8	0	0	0	111.1	F888 Q889 R890 E902 K918 K919 F922	F888-Y906 HydrophobicContact CB-CD1 4.41Å; F888-Y906 HydrophobicContact CD1-CG 4.49Å; Q889-Y906 WeakPolarHBondContact O-CA 3.44Å; R890-Y906 HydrophobicContact CB-CE1 4.42Å; R890-Y906 HydrophobicContact CG-CD1 4.22Å; R890-Y906 HydrophobicContact CG-CE1 3.59Å; E902-Y906 WeakPolarHBondContact CG-OH 3.18Å; E902-Y906 PolarHBondContact OE1-OH 2.8Å; E902-Y906 PolarHBondContact OE2-OH 3.37Å; Y906-K918 CarbonylContact O-C 3.6Å; Y906-K918 WeakPolarHBondContact O-CA 3.42Å; Y906-K919 PolarHBondContact N-O 2.93Å; Y906-K919 PolarHBondContact O-N 3.44Å; Y906-F922 HydrophobicContact CD2-CB 3.99Å; Y906-F922 AromaticContact CD2-CD1 3.74Å; Y906-F922 HydrophobicContact CD2-CD1 3.74Å; Y906-F922 HydrophobicContact CD2-CG 4.37Å; Y906-F922 HydrophobicContact CE2-CD1 4.16Å; Y906-F922 WeakPolarHBondContact CE2-O 3.38Å; Y906-F922 HydrophobicContact CG-CD1 4.18Å
907	I	98	Very high	96.4	Very high	30 Å²	30	61.1 Å²	61.1	15%	0.154	29%	0.286	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.9	145.5	152.9	58	176.8	0	0	0	109.1	W878 F888 Q889 H891 R917 K918	W878-I907 HydrophobicContact CH2-CD1 4.08Å; W878-I907 HydrophobicContact CH2-CG1 4.07Å; W878-I907 HydrophobicContact CZ2-CD1 4.33Å; F888-I907 CarbonylContact C-O 3.58Å; F888-I907 WeakPolarHBondContact CA-O 3.3Å; Q889-I907 HydrophobicContact CB-CG1 4.03Å; Q889-I907 PolarHBondContact N-O 2.98Å; Q889-I907 PolarHBondContact O-N 3.01Å; H891-I907 HydrophobicContact CB-CG2 4.34Å; I907-R917 CarbonylContact C-O 3.52Å; I907-R917 VanDerWaalsContact CA-O 3.25Å; I907-R917 WeakPolarHBondContact CA-O 3.35Å; I907-K918 HydrophobicContact CG2-CB 4.29Å; I907-K918 HydrophobicContact CG2-CG 4.26Å
908	Y	98.2	Very high	96.5	Very high	42 Å²	42	60.9 Å²	60.9	17%	0.165	28%	0.281	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.3	155.6	178.3	74.3	-84.7	0	0	0	110.3	M886 W887 F888 D910 Q916 R917 K919	M886-Y908 HydrophobicContact SD-CD2 3.65Å; M886-Y908 HydrophobicContact SD-CE2 3.73Å; W887-Y908 CarbonylContact O-C 3.5Å; W887-Y908 WeakPolarHBondContact O-CA 3.37Å; W887-Y908 WeakPolarHBondContact O-CB 3.37Å; F888-Y908 HydrophobicContact CD1-CG 4.41Å; F888-Y908 HydrophobicContact CE1-CD1 4.34Å; F888-Y908 HydrophobicContact CE1-CG 4.01Å; F888-Y908 HydrophobicContact CZ-CG 4.33Å; Y908-D910 HydrophobicContact CD2-CB 4.49Å; Y908-D910 HydrophobicContact CE2-CB 3.84Å; Y908-Q916 CarbonylContact O-C 3.55Å; Y908-Q916 WeakPolarHBondContact O-CA 3.37Å; Y908-R917 HydrophobicContact CD1-CB 4.01Å; Y908-R917 WeakPolarHBondContact CD1-O 3.35Å; Y908-R917 HydrophobicContact CE1-CB 3.45Å; Y908-R917 VanDerWaalsContact CE1-CB 3.45Å; Y908-R917 HydrophobicContact CE1-CG 4.4Å; Y908-R917 HydrophobicContact CE2-CB 4.21Å; Y908-R917 HydrophobicContact CE2-CG 4.4Å; Y908-R917 PolarHBondContact N-O 3.24Å; Y908-R917 PolarHBondContact O-N 3.33Å; Y908-K919 HydrophobicContact CD1-CB 4.08Å; Y908-K919 HydrophobicContact CE1-CB 3.98Å; Y908-K919 HydrophobicContact CE1-CD 4.34Å
909	F	98.4	Very high	96.6	Very high	4 Å²	4	63 Å²	63	2%	0.018	29%	0.286	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.6	114.6	173.3	-167.7	-96.9	0	0	0	110.9	F854 Y858 M886 W887 Y911 W914 Q916	F854-F909 HydrophobicContact CB-CD1 3.85Å; F854-F909 HydrophobicContact CB-CD2 4.47Å; F854-F909 HydrophobicContact CB-CE1 3.8Å; F854-F909 HydrophobicContact CB-CE2 4.41Å; F854-F909 HydrophobicContact CB-CG 4.18Å; F854-F909 HydrophobicContact CB-CZ 4.08Å; F854-F909 HydrophobicContact CD1-CB 4.24Å; F854-F909 HydrophobicContact CD1-CD1 4.48Å; F854-F909 HydrophobicContact CD1-CG 4.29Å; F854-F909 HydrophobicContact CD2-CB 3.77Å; F854-F909 AromaticContact CD2-CD1 3.88Å; F854-F909 HydrophobicContact CD2-CD1 3.88Å; F854-F909 AromaticContact CD2-CD2 3.14Å; F854-F909 HydrophobicContact CD2-CD2 3.14Å; F854-F909 HydrophobicContact CD2-CE1 4.25Å; F854-F909 AromaticContact CD2-CE2 3.58Å; F854-F909 HydrophobicContact CD2-CE2 3.58Å; F854-F909 AromaticContact CD2-CG 3.29Å; F854-F909 HydrophobicContact CD2-CG 3.29Å; F854-F909 HydrophobicContact CD2-CZ 4.11Å; F854-F909 HydrophobicContact CE1-CB 4.13Å; F854-F909 HydrophobicContact CE2-CB 3.64Å; F854-F909 AromaticContact CE2-CD2 3.47Å; F854-F909 HydrophobicContact CE2-CD2 3.47Å; F854-F909 VanDerWaalsContact CE2-CD2 3.47Å; F854-F909 HydrophobicContact CE2-CE2 4.28Å; F854-F909 AromaticContact CE2-CG 3.66Å; F854-F909 HydrophobicContact CE2-CG 3.66Å; F854-F909 HydrophobicContact CG-CB 4.09Å; F854-F909 AromaticContact CG-CD1 3.82Å; F854-F909 HydrophobicContact CG-CD1 3.82Å; F854-F909 AromaticContact CG-CD2 3.96Å; F854-F909 HydrophobicContact CG-CD2 3.96Å; F854-F909 HydrophobicContact CG-CE1 4.21Å; F854-F909 HydrophobicContact CG-CE2 4.33Å; F854-F909 AromaticContact CG-CG 3.67Å; F854-F909 HydrophobicContact CG-CG 3.67Å; F854-F909 HydrophobicContact CG-CZ 4.45Å; F854-F909 HydrophobicContact CZ-CB 3.84Å; F854-F909 HydrophobicContact CZ-CD2 4.49Å; F854-F909 HydrophobicContact CZ-CG 4.3Å; Y858-F909 AromaticContact CE2-CD1 3.95Å; Y858-F909 HydrophobicContact CE2-CD1 3.95Å; Y858-F909 HydrophobicContact CE2-CE1 4.32Å; M886-F909 WeakPolarHBondContact CG-O 3.41Å; W887-F909 PolarHBondContact O-N 2.87Å; F909-Y911 PolarHBondContact O-N 3.49Å; F909-W914 HydrophobicContact CE1-CD2 4.21Å; F909-W914 AromaticContact CE1-CE3 3.8Å; F909-W914 HydrophobicContact CE1-CE3 3.8Å; F909-W914 AromaticContact CE1-CH2 3.8Å; F909-W914 HydrophobicContact CE1-CH2 3.8Å; F909-W914 HydrophobicContact CE1-CZ2 4.26Å; F909-W914 AromaticContact CE1-CZ3 3.58Å; F909-W914 HydrophobicContact CE1-CZ3 3.58Å; F909-W914 AromaticContact CZ-CD2 3.77Å; F909-W914 HydrophobicContact CZ-CD2 3.77Å; F909-W914 AromaticContact CZ-CE2 3.75Å; F909-W914 AromaticContact CZ-CE3 3.86Å; F909-W914 HydrophobicContact CZ-CE3 3.86Å; F909-W914 HydrophobicContact CZ-CG 4.33Å; F909-W914 AromaticContact CZ-CH2 3.79Å; F909-W914 HydrophobicContact CZ-CH2 3.79Å; F909-W914 AromaticContact CZ-CZ2 3.76Å; F909-W914 HydrophobicContact CZ-CZ2 3.76Å; F909-W914 AromaticContact CZ-CZ3 3.87Å; F909-W914 HydrophobicContact CZ-CZ3 3.87Å; F909-Q916 HydrophobicContact CD2-CG 4.12Å
910	D	97.7	Very high	96.8	Very high	3 Å²	3	61.7 Å²	61.7	2%	0.016	28%	0.276	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.7	100.5	174.9	-176.4	-25.5	0	0	0	108	Y908 E912 K913 W914 G915 R917	Y908-D910 HydrophobicContact CD2-CB 4.49Å; Y908-D910 HydrophobicContact CE2-CB 3.84Å; D910-E912 VanDerWaalsContact C-N 3.3Å; D910-E912 PolarHBondContact O-N 3.42Å; D910-E912 PolarHBondContact OD1-N 2.89Å; D910-K913 PolarHBondContact OD1-N 3.08Å; D910-K913 IonicContact OD1-NZ 2.63Å; D910-K913 WeakPolarHBondContact OD2-CD 3.36Å; D910-K913 WeakPolarHBondContact OD2-CG 3.28Å; D910-K913 IonicContact OD2-NZ 2.89Å; D910-K913 PolarHBondContact OD2-NZ 3.21Å; D910-W914 WeakPolarHBondContact O-CA 3.22Å; D910-W914 PolarHBondContact O-N 3.37Å; D910-G915 WeakPolarHBondContact CB-O 3.43Å; D910-G915 PolarHBondContact N-O 2.64Å; D910-G915 PolarHBondContact O-N 2.81Å; D910-R917 HydrophobicContact CB-CG 3.65Å
911	Y	95.4	Very high	96.8	Very high	86 Å²	86	57.6 Å²	57.6	34%	0.337	27%	0.267	S	S	.	.	T	Hydrogen-bonded Turn	trans	-70.8	-24.3	-178.9	61.3	-108.4	0	0	0	113.1	Y858 M885 M886 F909	Y858-Y911 AromaticContact CE1-CD1 3.85Å; Y858-Y911 HydrophobicContact CE1-CD1 3.85Å; Y858-Y911 HydrophobicContact CE1-CG 4.28Å; Y858-Y911 AromaticContact CZ-CD1 3.82Å; M885-Y911 HydrophobicContact CB-CE1 4.32Å; M885-Y911 WeakPolarHBondContact O-CE1 3.43Å; M886-Y911 HydrophobicContact CE-CD1 3.71Å; M886-Y911 HydrophobicContact CE-CE1 3.5Å; M886-Y911 VanDerWaalsContact CE-CE1 3.5Å; M886-Y911 HydrophobicContact CE-CG 4.34Å; M886-Y911 HydrophobicContact CG-CD1 3.69Å; M886-Y911 HydrophobicContact CG-CE1 3.64Å; M886-Y911 HydrophobicContact SD-CE1 4.46Å; F909-Y911 PolarHBondContact O-N 3.49Å
912	E	95.1	Very high	96.9	Very high	142 Å²	142	55.2 Å²	55.2	66%	0.664	26%	0.257	S	S	*	.	T	Hydrogen-bonded Turn	trans	-72.8	-42	177.1	-57.1	-177.5	154.9	0	0	111.2	D910	D910-E912 VanDerWaalsContact C-N 3.3Å; D910-E912 PolarHBondContact O-N 3.42Å; D910-E912 PolarHBondContact OD1-N 2.89Å
913	K	96.3	Very high	96.9	Very high	122 Å²	122	57.5 Å²	57.5	53%	0.53	27%	0.271	S	S	.	.	T	Hydrogen-bonded Turn	trans	-100.2	17.1	-180	-50.3	-172.5	-162.5	71.5	0	113.1	D910 G915 R917	D910-K913 PolarHBondContact OD1-N 3.08Å; D910-K913 IonicContact OD1-NZ 2.63Å; D910-K913 WeakPolarHBondContact OD2-CD 3.36Å; D910-K913 WeakPolarHBondContact OD2-CG 3.28Å; D910-K913 IonicContact OD2-NZ 2.89Å; D910-K913 PolarHBondContact OD2-NZ 3.21Å; K913-G915 PolarHBondContact O-N 3.07Å; K913-R917 PolarHBondContact O-NH2 2.86Å
914	W	97.1	Very high	96.9	Very high	77 Å²	77	54 Å²	54	29%	0.292	26%	0.255	S	S	.	.	T	Hydrogen-bonded Turn	trans	34.1	66	-178.9	-163	-99.9	0	0	0	114.4	E851 F854 F855 Y858 Y859 F909 D910	E851-W914 HydrophobicContact CG-CZ2 4.01Å; E851-W914 PolarHBondContact OE1-NE1 3.19Å; F854-W914 HydrophobicContact CB-CH2 4.29Å; F855-W914 HydrophobicContact CB-CH2 4Å; F855-W914 HydrophobicContact CB-CZ2 3.94Å; F855-W914 HydrophobicContact CD2-CH2 4.39Å; F855-W914 HydrophobicContact CD2-CZ2 4.26Å; Y858-W914 HydrophobicContact CD2-CZ3 4.4Å; Y859-W914 HydrophobicContact CD2-CH2 4.42Å; Y859-W914 HydrophobicContact CD2-CZ3 4.45Å; Y859-W914 HydrophobicContact CE2-CE3 4.19Å; Y859-W914 AromaticContact CE2-CH2 3.9Å; Y859-W914 HydrophobicContact CE2-CH2 3.9Å; Y859-W914 AromaticContact CE2-CZ3 3.6Å; Y859-W914 HydrophobicContact CE2-CZ3 3.6Å; F909-W914 HydrophobicContact CE1-CD2 4.21Å; F909-W914 AromaticContact CE1-CE3 3.8Å; F909-W914 HydrophobicContact CE1-CE3 3.8Å; F909-W914 AromaticContact CE1-CH2 3.8Å; F909-W914 HydrophobicContact CE1-CH2 3.8Å; F909-W914 HydrophobicContact CE1-CZ2 4.26Å; F909-W914 AromaticContact CE1-CZ3 3.58Å; F909-W914 HydrophobicContact CE1-CZ3 3.58Å; F909-W914 AromaticContact CZ-CD2 3.77Å; F909-W914 HydrophobicContact CZ-CD2 3.77Å; F909-W914 AromaticContact CZ-CE2 3.75Å; F909-W914 AromaticContact CZ-CE3 3.86Å; F909-W914 HydrophobicContact CZ-CE3 3.86Å; F909-W914 HydrophobicContact CZ-CG 4.33Å; F909-W914 AromaticContact CZ-CH2 3.79Å; F909-W914 HydrophobicContact CZ-CH2 3.79Å; F909-W914 AromaticContact CZ-CZ2 3.76Å; F909-W914 HydrophobicContact CZ-CZ2 3.76Å; F909-W914 AromaticContact CZ-CZ3 3.87Å; F909-W914 HydrophobicContact CZ-CZ3 3.87Å; D910-W914 WeakPolarHBondContact O-CA 3.22Å; D910-W914 PolarHBondContact O-N 3.37Å
915	G	95.4	Very high	96.9	Very high	15 Å²	15	56.1 Å²	56.1	16%	0.155	26%	0.264	C	S	.	.	E	Extended strand (participates in β ladder)	trans	177.9	165.5	178.1	0	0	0	0	0	116.2	D910 K913	D910-G915 WeakPolarHBondContact CB-O 3.43Å; D910-G915 PolarHBondContact N-O 2.64Å; D910-G915 PolarHBondContact O-N 2.81Å; K913-G915 PolarHBondContact O-N 3.07Å
916	Q	97.1	Very high	96.8	Very high	90 Å²	90	58.2 Å²	58.2	42%	0.421	27%	0.272	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-73	142.5	176	-63.1	-179	28.2	0	0	111.7	T850 W878 Y908 F909	T850-Q916 PolarHBondContact OG1-NE2 2.91Å; T850-Q916 VanDerWaalsContact OG1-NE2 3.16Å; W878-Q916 HydrophobicContact CH2-CG 4.4Å; Y908-Q916 CarbonylContact O-C 3.55Å; Y908-Q916 WeakPolarHBondContact O-CA 3.37Å; F909-Q916 HydrophobicContact CD2-CG 4.12Å
917	R	97.7	Very high	96.6	Very high	107 Å²	107	64.6 Å²	64.6	40%	0.404	30%	0.296	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-136	142.7	178.9	-57.9	-63.3	172.5	-152.9	-7.4	110	I907 Y908 D910 K913	I907-R917 CarbonylContact C-O 3.52Å; I907-R917 VanDerWaalsContact CA-O 3.25Å; I907-R917 WeakPolarHBondContact CA-O 3.35Å; Y908-R917 HydrophobicContact CD1-CB 4.01Å; Y908-R917 WeakPolarHBondContact CD1-O 3.35Å; Y908-R917 HydrophobicContact CE1-CB 3.45Å; Y908-R917 VanDerWaalsContact CE1-CB 3.45Å; Y908-R917 HydrophobicContact CE1-CG 4.4Å; Y908-R917 HydrophobicContact CE2-CB 4.21Å; Y908-R917 HydrophobicContact CE2-CG 4.4Å; Y908-R917 PolarHBondContact N-O 3.24Å; Y908-R917 PolarHBondContact O-N 3.33Å; D910-R917 HydrophobicContact CB-CG 3.65Å; K913-R917 PolarHBondContact O-NH2 2.86Å
918	K	97.6	Very high	96.4	Very high	93 Å²	93	65.3 Å²	65.3	40%	0.404	30%	0.297	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.6	139.5	171.1	-161.8	-171.7	-171.4	-159.1	0	109.7	H891 E892 T905 Y906 I907 E920	H891-K918 VanDerWaalsContact CE1-CE 3.47Å; H891-K918 WeakPolarHBondContact CE1-CE 3.5Å; H891-K918 WeakPolarHBondContact ND1-CE 3.3Å; E892-K918 IonicContact OE1-NZ 2.71Å; E892-K918 PolarHBondContact OE1-NZ 3.48Å; T905-K918 HydrophobicContact CG2-CD 4.38Å; T905-K918 HydrophobicContact CG2-CG 4.4Å; Y906-K918 CarbonylContact O-C 3.6Å; Y906-K918 WeakPolarHBondContact O-CA 3.42Å; I907-K918 HydrophobicContact CG2-CB 4.29Å; I907-K918 HydrophobicContact CG2-CG 4.26Å; K918-E920 HydrophobicContact CD-CG 4.44Å; K918-E920 WeakPolarHBondContact CE-OE1 3.36Å; K918-E920 IonicContact NZ-OE1 2.67Å; K918-E920 PolarHBondContact NZ-OE1 3.23Å
919	K	96.4	Very high	96.2	Very high	84 Å²	84	64.2 Å²	64.2	37%	0.365	29%	0.294	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.2	120.5	173.2	-161.9	176.6	179	-178.6	0	109.9	Y906 Y908 F922	Y906-K919 PolarHBondContact N-O 2.93Å; Y906-K919 PolarHBondContact O-N 3.44Å; Y908-K919 HydrophobicContact CD1-CB 4.08Å; Y908-K919 HydrophobicContact CE1-CB 3.98Å; Y908-K919 HydrophobicContact CE1-CD 4.34Å; K919-F922 HydrophobicContact CB-CB 4.39Å; K919-F922 HydrophobicContact CD-CB 4Å; K919-F922 HydrophobicContact CD-CD2 3.76Å; K919-F922 HydrophobicContact CD-CG 4.02Å; K919-F922 HydrophobicContact CG-CB 4.04Å
920	E	96.8	Very high	95.3	Very high	132 Å²	132	66.6 Å²	66.6	62%	0.617	31%	0.306	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-99.3	145.7	-177.4	-44.9	-159.9	149.7	0	0	110.4	T905 K918 F922	T905-E920 HydrophobicContact CG2-CG 4.13Å; K918-E920 HydrophobicContact CD-CG 4.44Å; K918-E920 WeakPolarHBondContact CE-OE1 3.36Å; K918-E920 IonicContact NZ-OE1 2.67Å; K918-E920 PolarHBondContact NZ-OE1 3.23Å; E920-F922 PolarHBondContact O-N 3.39Å
921	G	94.4	Very high	93.9	Very high	41 Å²	41	69.6 Å²	69.6	42%	0.423	32%	0.322	S	S	.	.	E	Extended strand (participates in β ladder)	trans	64.9	19.6	-177.8	0	0	0	0	0	114.3	Q903 G904	Q903-G921 PolarHBondContact NE2-O 3.42Å; G904-G921 CarbonylContact O-C 3.59Å; G904-G921 WeakPolarHBondContact O-CA 3.38Å; G904-G921 PolarHBondContact O-N 2.95Å
922	F	97.5	Very high	91.9	Very high	11 Å²	11	71.1 Å²	71.1	5%	0.048	33%	0.327	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.9	129.4	179.7	175.8	-111.7	0	0	0	110.6	H881 Y884 F888 Q903 G904 Y906 K919 E920 F924	H881-F922 AromaticContact CD2-CZ 3.85Å; H881-F922 AromaticContact NE2-CZ 3.87Å; Y884-F922 HydrophobicContact CD2-CZ 4.18Å; Y884-F922 AromaticContact CE2-CE2 3.82Å; Y884-F922 HydrophobicContact CE2-CE2 3.82Å; Y884-F922 AromaticContact CE2-CZ 3.78Å; Y884-F922 HydrophobicContact CE2-CZ 3.78Å; F888-F922 AromaticContact CD1-CD1 3.96Å; F888-F922 HydrophobicContact CD1-CD1 3.96Å; F888-F922 AromaticContact CD1-CE1 3.6Å; F888-F922 HydrophobicContact CD1-CE1 3.6Å; F888-F922 HydrophobicContact CD1-CZ 4.32Å; F888-F922 AromaticContact CE1-CD1 3.75Å; F888-F922 HydrophobicContact CE1-CD1 3.75Å; F888-F922 AromaticContact CE1-CE1 3.28Å; F888-F922 HydrophobicContact CE1-CE1 3.28Å; F888-F922 HydrophobicContact CE1-CE2 4.27Å; F888-F922 HydrophobicContact CE1-CG 4.41Å; F888-F922 AromaticContact CE1-CZ 3.58Å; F888-F922 HydrophobicContact CE1-CZ 3.58Å; F888-F922 HydrophobicContact CG-CE1 4.4Å; F888-F922 AromaticContact CZ-CE1 3.84Å; F888-F922 HydrophobicContact CZ-CE1 3.84Å; F888-F922 HydrophobicContact CZ-CE2 4.45Å; F888-F922 AromaticContact CZ-CZ 3.7Å; F888-F922 HydrophobicContact CZ-CZ 3.7Å; Q903-F922 WeakPolarHBondContact CA-O 3.33Å; G904-F922 PolarHBondContact N-O 3.36Å; G904-F922 PolarHBondContact O-N 2.97Å; Y906-F922 HydrophobicContact CD2-CB 3.99Å; Y906-F922 AromaticContact CD2-CD1 3.74Å; Y906-F922 HydrophobicContact CD2-CD1 3.74Å; Y906-F922 HydrophobicContact CD2-CG 4.37Å; Y906-F922 HydrophobicContact CE2-CD1 4.16Å; Y906-F922 WeakPolarHBondContact CE2-O 3.38Å; Y906-F922 HydrophobicContact CG-CD1 4.18Å; K919-F922 HydrophobicContact CB-CB 4.39Å; K919-F922 HydrophobicContact CD-CB 4Å; K919-F922 HydrophobicContact CD-CD2 3.76Å; K919-F922 HydrophobicContact CD-CG 4.02Å; K919-F922 HydrophobicContact CG-CB 4.04Å; E920-F922 PolarHBondContact O-N 3.39Å; F922-F924 HydrophobicContact CD1-CB 4.36Å; F922-F924 HydrophobicContact CE1-CB 3.91Å; F922-F924 HydrophobicContact CE1-CD2 4Å; F922-F924 HydrophobicContact CE1-CG 4.29Å
923	T	96.9	Very high	89.3	Confident	49 Å²	49	69.9 Å²	69.9	30%	0.301	33%	0.325	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.1	111.6	171.1	-54.4	0	0	0	0	109.1	F901 E902 Q903 E925	F901-T923 HydrophobicContact CB-CG2 3.81Å; F901-T923 HydrophobicContact CD2-CG2 3.59Å; F901-T923 HydrophobicContact CE2-CG2 4.33Å; F901-T923 HydrophobicContact CG-CG2 3.79Å; E902-T923 WeakPolarHBondContact O-CA 3.38Å; Q903-T923 PolarHBondContact NE2-OG1 3.31Å; T923-E925 HydrophobicContact CG2-CG 4.38Å
924	F	96.8	Very high	86.5	Confident	1 Å²	1	69.8 Å²	69.8	0%	0.004	33%	0.329	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.2	106.2	168.2	-164.9	-59.9	0	0	0	107.2	R879 H881 F888 F901 E902 F922 Y926 L929	R879-F924 HydrophobicContact CB-CE2 4.31Å; R879-F924 HydrophobicContact CB-CZ 4.29Å; H881-F924 HydrophobicContact CB-CE2 3.85Å; H881-F924 HydrophobicContact CB-CZ 3.81Å; H881-F924 AromaticContact CD2-CD2 3.73Å; H881-F924 AromaticContact CD2-CE1 3.95Å; H881-F924 AromaticContact CD2-CE2 3.67Å; H881-F924 AromaticContact CD2-CG 3.9Å; H881-F924 AromaticContact CD2-CZ 3.77Å; F888-F924 HydrophobicContact CB-CD2 4.24Å; F888-F924 HydrophobicContact CB-CE2 4Å; F888-F924 HydrophobicContact CD2-CE2 4.15Å; F888-F924 HydrophobicContact CG-CD2 4.27Å; F888-F924 HydrophobicContact CG-CE2 4.16Å; F901-F924 VanDerWaalsContact CA-O 3.3Å; F901-F924 WeakPolarHBondContact CA-O 3.13Å; F901-F924 WeakPolarHBondContact CB-O 3.49Å; E902-F924 HydrophobicContact CG-CB 3.93Å; E902-F924 PolarHBondContact N-O 2.63Å; E902-F924 PolarHBondContact O-N 3.49Å; F922-F924 HydrophobicContact CD1-CB 4.36Å; F922-F924 HydrophobicContact CE1-CB 3.91Å; F922-F924 HydrophobicContact CE1-CD2 4Å; F922-F924 HydrophobicContact CE1-CG 4.29Å; F924-Y926 HydrophobicContact CD1-CD1 4.41Å; F924-L929 HydrophobicContact CE1-CB 3.92Å; F924-L929 HydrophobicContact CE1-CD1 4.04Å; F924-L929 HydrophobicContact CZ-CD1 3.93Å
925	E	96.3	Very high	83.3	Confident	45 Å²	45	74.2 Å²	74.2	21%	0.21	35%	0.353	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.5	122.8	177.3	-45.3	169.4	-126.1	0	0	108.9	K883 T923 R927 Y928	K883-E925 IonicContact NZ-OE1 3.74Å; K883-E925 PolarHBondContact NZ-OE1 3.15Å; K883-E925 VanDerWaalsContact NZ-OE1 3.14Å; T923-E925 HydrophobicContact CG2-CG 4.38Å; E925-R927 HydrophobicContact CB-CG 4.05Å; E925-R927 PolarHBondContact O-N 3.1Å; E925-R927 VanDerWaalsContact O-N 3.15Å; E925-R927 IonicContact OE1-NH2 2.77Å; E925-R927 IonicContact OE2-CZ 3.99Å; E925-R927 IonicContact OE2-NE 2.97Å; E925-R927 PolarHBondContact OE2-NE 3.45Å; E925-R927 IonicContact OE2-NH2 2.71Å; E925-R927 PolarHBondContact OE2-NH2 2.91Å; E925-Y928 HydrophobicContact CB-CD2 3.87Å; E925-Y928 HydrophobicContact CB-CE2 4.28Å; E925-Y928 HydrophobicContact CG-CD2 4.34Å; E925-Y928 HydrophobicContact CG-CE2 4.42Å; E925-Y928 PolarHBondContact O-N 3.45Å; E925-Y928 WeakPolarHBondContact OE1-CE2 3.35Å; E925-Y928 WeakPolarHBondContact OE2-CE2 3.14Å
926	Y	95	Very high	82.7	Confident	45 Å²	45	77.2 Å²	77.2	18%	0.176	36%	0.363	C	S	.	.	G	3₁₀ helix	trans	-66.2	-19.6	-174.4	-67.7	-46.8	0	0	0	113.7	T898 E900 E902 F924 Y928 L929	T898-Y926 WeakPolarHBondContact O-CE2 3.24Å; E900-Y926 PolarHBondContact O-N 2.87Å; E902-Y926 HydrophobicContact CB-CE1 4.42Å; E902-Y926 HydrophobicContact CG-CE1 3.72Å; F924-Y926 HydrophobicContact CD1-CD1 4.41Å; Y926-Y928 PolarHBondContact O-N 2.93Å; Y926-L929 HydrophobicContact CD1-CD2 4.41Å; Y926-L929 WeakPolarHBondContact O-CB 3.16Å; Y926-L929 PolarHBondContact O-N 3.09Å
927	R	93.9	Very high	82	Confident	137 Å²	137	76.5 Å²	76.5	52%	0.517	36%	0.36	S	S	.	.	G	3₁₀ helix	trans	-61.2	-7.2	166.9	68.2	162.9	175.9	170.3	-5.3	115	E925	E925-R927 HydrophobicContact CB-CG 4.05Å; E925-R927 PolarHBondContact O-N 3.1Å; E925-R927 VanDerWaalsContact O-N 3.15Å; E925-R927 IonicContact OE1-NH2 2.77Å; E925-R927 IonicContact OE2-CZ 3.99Å; E925-R927 IonicContact OE2-NE 2.97Å; E925-R927 PolarHBondContact OE2-NE 3.45Å; E925-R927 IonicContact OE2-NH2 2.71Å; E925-R927 PolarHBondContact OE2-NH2 2.91Å
928	Y	95	Very high	81.1	Confident	45 Å²	45	74.8 Å²	74.8	18%	0.176	36%	0.358	C	S	.	.	G	3₁₀ helix	trans	-119	8.9	172.3	-55.9	-57.2	0	0	0	113	H881 T882 K883 E925 Y926	H881-Y928 CarbonylContact C-O 3.23Å; H881-Y928 WeakPolarHBondContact CA-O 3.36Å; H881-Y928 WeakPolarHBondContact CE1-CB 3.33Å; H881-Y928 AromaticContact CE1-CD2 3.58Å; H881-Y928 AromaticContact CE1-CG 3.73Å; H881-Y928 WeakPolarHBondContact ND1-CB 3.37Å; T882-Y928 PolarHBondContact N-O 3.05Å; T882-Y928 WeakPolarHBondContact OG1-CA 3.41Å; T882-Y928 PolarHBondContact OG1-O 3.01Å; K883-Y928 HydrophobicContact CB-CD1 3.71Å; K883-Y928 HydrophobicContact CB-CD2 3.98Å; K883-Y928 HydrophobicContact CB-CE1 3.92Å; K883-Y928 HydrophobicContact CB-CE2 4.22Å; K883-Y928 HydrophobicContact CB-CG 3.71Å; K883-Y928 HydrophobicContact CD-CD2 3.91Å; K883-Y928 HydrophobicContact CD-CE1 4.32Å; K883-Y928 HydrophobicContact CD-CE2 3.52Å; K883-Y928 HydrophobicContact CD-CG 4.47Å; K883-Y928 HydrophobicContact CG-CD1 4.43Å; K883-Y928 HydrophobicContact CG-CD2 4.46Å; K883-Y928 HydrophobicContact CG-CE1 4.14Å; K883-Y928 HydrophobicContact CG-CE2 4.22Å; K883-Y928 VanDerWaalsContact NZ-CE2 3.33Å; K883-Y928 PolarHBondContact NZ-OH 3.4Å; E925-Y928 HydrophobicContact CB-CD2 3.87Å; E925-Y928 HydrophobicContact CB-CE2 4.28Å; E925-Y928 HydrophobicContact CG-CD2 4.34Å; E925-Y928 HydrophobicContact CG-CE2 4.42Å; E925-Y928 PolarHBondContact O-N 3.45Å; E925-Y928 WeakPolarHBondContact OE1-CE2 3.35Å; E925-Y928 WeakPolarHBondContact OE2-CE2 3.14Å; Y926-Y928 PolarHBondContact O-N 2.93Å
929	L	93.1	Very high	80.1	Confident	20 Å²	20	73.8 Å²	73.8	11%	0.105	36%	0.355	C	S	.	.	B	Isolated β-bridge	trans	-72.8	130.6	163.6	-174.6	62.6	0	0	0	108.2	R879 F924 Y926 D931 R932	R879-L929 HydrophobicContact CB-CD1 3.83Å; R879-L929 HydrophobicContact CG-CD1 4.08Å; F924-L929 HydrophobicContact CE1-CB 3.92Å; F924-L929 HydrophobicContact CE1-CD1 4.04Å; F924-L929 HydrophobicContact CZ-CD1 3.93Å; Y926-L929 HydrophobicContact CD1-CD2 4.41Å; Y926-L929 WeakPolarHBondContact O-CB 3.16Å; Y926-L929 PolarHBondContact O-N 3.09Å; L929-D931 HydrophobicContact CG-CB 4.48Å; L929-D931 PolarHBondContact O-N 3.18Å; L929-D931 VanDerWaalsContact O-N 3.11Å; L929-R932 PolarHBondContact O-N 3.09Å
930	E	79.3	Confident	79.1	Confident	54 Å²	54	73.1 Å²	73.1	25%	0.252	35%	0.354	S	S	.	.	T	Hydrogen-bonded Turn	trans	-55.7	-23.7	179.1	65.5	-169.6	127.2	0	0	115.3	K874 F880 T882	K874-E930 WeakPolarHBondContact CE-OE1 3.45Å; K874-E930 WeakPolarHBondContact CE-OE2 3.45Å; K874-E930 IonicContact NZ-OE1 3.25Å; K874-E930 IonicContact NZ-OE2 3.68Å; K874-E930 PolarHBondContact NZ-OE2 3.1Å; F880-E930 WeakPolarHBondContact CA-OE1 3.49Å; F880-E930 HydrophobicContact CB-CB 4.35Å; F880-E930 VanDerWaalsContact CB-CD 3.42Å; F880-E930 HydrophobicContact CB-CG 4.29Å; F880-E930 WeakPolarHBondContact CB-OE1 3.08Å; F880-E930 PolarHBondContact N-OE1 2.83Å; F880-E930 PolarHBondContact O-N 2.95Å; T882-E930 HydrophobicContact CG2-CB 4.31Å
931	D	68.1	Low	77.9	Confident	66 Å²	66	69.2 Å²	69.2	35%	0.353	34%	0.337	S	S	.	.	T	Hydrogen-bonded Turn	trans	-99.5	4.9	-173.8	-63.7	-54.4	0	0	0	114.1	K874 L929	K874-D931 IonicContact NZ-OD1 3.66Å; K874-D931 PolarHBondContact NZ-OD1 3.17Å; K874-D931 IonicContact NZ-OD2 2.67Å; K874-D931 PolarHBondContact NZ-OD2 2.88Å; L929-D931 HydrophobicContact CG-CB 4.48Å; L929-D931 PolarHBondContact O-N 3.18Å; L929-D931 VanDerWaalsContact O-N 3.11Å
932	R	54.6	Low	76.8	Confident	118 Å²	118	71.2 Å²	71.2	45%	0.445	33%	0.331	S	S	.	.	G	3₁₀ helix	trans	-72.3	-30.1	-175.8	-164.6	-159.9	60.3	147.4	8	113.2	L929 L934	L929-R932 PolarHBondContact O-N 3.09Å; R932-L934 PolarHBondContact O-N 2.74Å
933	D	40.9	Very low	75.2	Confident	116 Å²	116	75.8 Å²	75.8	62%	0.62	35%	0.353	S	S	*	.	G	3₁₀ helix	trans	-84.9	28.1	-176.6	-51.5	-32.1	0	0	0	112
934	L	37.4	Very low	73.4	Confident	120 Å²	120	78.1 Å²	78.1	63%	0.628	36%	0.357	S	S	*	.	G	3₁₀ helix	trans	-131.2	9.1	-178.8	-85.2	163.5	0	0	0	112.9	R222 R932	R222-L934 PolarHBondContact NH1-O 3.35Å; R932-L934 PolarHBondContact O-N 2.74Å
935	Q	29.9	Very low	71.2	Confident	170 Å²	170	85.1 Å²	85.1	79%	0.794	39%	0.389	S	S	*	.			trans	-107.4	0	-167.2	-165.6	166.4	15.2	0	0	112.5	R222 L272	R222-Q935 VanDerWaalsContact CZ-OXT 3.28Å; R222-Q935 PolarHBondContact NH1-OXT 3.43Å; R222-Q935 PolarHBondContact NH2-OXT 3.43Å; L272-Q935 WeakPolarHBondContact CD1-O 3.44Å; L272-Q935 WeakPolarHBondContact CD1-OXT 3.44Å

Retrieved 935 of 935 residues in 894.6 ms (Link to these results)

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