A0A087Y4I5_POEFO Loading...

Adenylosuccinate synthetase isozyme 2

Plays an important role in the de novo pathway and in the salvage pathway of purine nucleotide biosynthesis. Catalyzes the first commited step in the biosynthesis of AMP from IMP. Plays an important role in the de novo pathway and in the salvage pathway of purine nucleotide biosynthesis. Catalyzes the first committed step in the biosynthesis of AMP from IMP. Plays an important role in the de novo pathway of purine nucleotide biosynthesis.

AlphaFold DB , UniProt , Accession A0A087Y4I5, Species POEFO (Poecilia formosa, Amazon molly), Gene ADSS, Length 458 aa.

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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	40.7	Very low	33.3	Very low	243 Å²	243	152.3 Å²	152.3	100%	1.197	87%	0.872	S	S	*	*				0	102.2	0	-76.9	-175.8	-172.9	0	0	108
2	S	34.4	Very low	33.4	Very low	126 Å²	126	147 Å²	147	88%	0.881	86%	0.86	S	S	*	*			trans	160.8	109.2	139.4	58.7	0	0	0	0	107.4
3	E	33	Very low	33.8	Very low	184 Å²	184	143.8 Å²	143.8	86%	0.86	85%	0.851	S	S	*	*			trans	-71.9	167.1	179	-68.9	172.4	130.4	0	0	112.9
4	S	32.8	Very low	34.4	Very low	121 Å²	121	146.3 Å²	146.3	85%	0.846	86%	0.858	S	S	*	*			trans	97.8	107.8	141	75.8	0	0	0	0	118.9
5	G	30.4	Very low	34.7	Very low	74 Å²	74	140.8 Å²	140.8	76%	0.763	85%	0.845	S	S	*	*				99.7	104.8	121.4	0	0	0	0	0	118.5
6	S	31.5	Very low	35.5	Very low	118 Å²	118	141.7 Å²	141.7	83%	0.825	84%	0.844	S	S	*	*			trans	-173	112.5	130.8	25.7	0	0	0	0	112.8
7	Q	31.8	Very low	36.4	Very low	191 Å²	191	139.6 Å²	139.6	89%	0.893	84%	0.839	S	S	*	*			trans	41.2	96	140.3	-68.1	175.7	-25.5	0	0	119.1
8	E	32.8	Very low	37.4	Very low	190 Å²	190	137.6 Å²	137.6	89%	0.888	83%	0.832	S	S	*	*			trans	-84.9	109.4	147.9	-83.1	-177.6	158.4	0	0	109	V10	E8-V10 PolarHBondContact O-N 2.75Å
9	S	30.3	Very low	38.6	Very low	112 Å²	112	139.7 Å²	139.7	78%	0.783	83%	0.832	S	S	*	*			trans	-66.5	103.6	161.9	48.8	0	0	0	0	109	E11	S9-E11 PolarHBondContact O-N 3.34Å; S9-E11 VanDerWaalsContact O-N 3.16Å
10	V	33.5	Very low	39.7	Very low	128 Å²	128	144.7 Å²	144.7	78%	0.776	84%	0.835	S	S	*	*			trans	-76.3	100.3	167.2	-178.9	0	0	0	0	107.4	E8 A12	E8-V10 PolarHBondContact O-N 2.75Å; V10-A12 VanDerWaalsContact C-N 3.33Å; V10-A12 PolarHBondContact O-N 2.74Å
11	E	34.8	Very low	40.7	Very low	188 Å²	188	144.1 Å²	144.1	88%	0.879	83%	0.834	S	S	*	*			trans	-56.8	97.9	158.6	-77	-179.9	147.7	0	0	108.4	S9 S13	S9-E11 PolarHBondContact O-N 3.34Å; S9-E11 VanDerWaalsContact O-N 3.16Å; E11-S13 PolarHBondContact O-N 2.87Å; E11-S13 VanDerWaalsContact O-N 3.11Å
12	A	35	Very low	41.8	Very low	89 Å²	89	139.6 Å²	139.6	74%	0.736	82%	0.815	S	S	*	*			trans	-77.1	94.7	167	0	0	0	0	0	108	V10	V10-A12 VanDerWaalsContact C-N 3.33Å; V10-A12 PolarHBondContact O-N 2.74Å
13	S	38.1	Very low	43.6	Very low	106 Å²	106	138.8 Å²	138.8	74%	0.741	81%	0.806	S	S	*	*			trans	-9.6	121	159.1	57.8	0	0	0	0	115.7	E11 G15	E11-S13 PolarHBondContact O-N 2.87Å; E11-S13 VanDerWaalsContact O-N 3.11Å; S13-G15 PolarHBondContact O-N 3.1Å
14	D	42.5	Very low	45.5	Very low	178 Å²	178	141.3 Å²	141.3	95%	0.952	81%	0.808	S	S	*	*			trans	-57	84.4	159.6	-87.6	-38.5	0	0	0	110.1	N16	D14-N16 PolarHBondContact O-N 3.13Å; D14-N16 VanDerWaalsContact O-N 3.1Å
15	G	39.2	Very low	47.5	Very low	64 Å²	64	140.5 Å²	140.5	66%	0.66	80%	0.8	S	S	*	*			trans	-78.9	84.8	173.4	0	0	0	0	0	110.2	S13 S17	S13-G15 PolarHBondContact O-N 3.1Å; G15-S17 PolarHBondContact O-N 3.11Å; G15-S17 VanDerWaalsContact O-N 3.1Å
16	N	47.4	Very low	49.7	Very low	155 Å²	155	142 Å²	142	83%	0.829	80%	0.796	S	S	*	*			trans	23.4	80.6	143.6	-152.6	11.6	0	0	0	114.7	D14 S18	D14-N16 PolarHBondContact O-N 3.13Å; D14-N16 VanDerWaalsContact O-N 3.1Å; N16-S18 VanDerWaalsContact C-N 3.28Å; N16-S18 PolarHBondContact O-N 3.16Å
17	S	50.7	Low	51.9	Low	107 Å²	107	138.8 Å²	138.8	75%	0.748	77%	0.771	S	S	*	*			trans	-69.4	91.5	171.4	57.2	0	0	0	0	108.6	G15 Q19	G15-S17 PolarHBondContact O-N 3.11Å; G15-S17 VanDerWaalsContact O-N 3.1Å; S17-Q19 PolarHBondContact O-N 2.9Å
18	S	54.2	Low	54.6	Low	103 Å²	103	131.6 Å²	131.6	72%	0.72	75%	0.749	S	S	*	*			trans	-39.6	102.4	167.5	53.2	0	0	0	0	110.6	N16 R20	N16-S18 VanDerWaalsContact C-N 3.28Å; N16-S18 PolarHBondContact O-N 3.16Å; S18-R20 PolarHBondContact O-N 3.13Å
19	Q	59.3	Low	57.4	Low	178 Å²	178	123.7 Å²	123.7	83%	0.832	71%	0.712	S	S	*	*			trans	-61.3	106.9	170.3	-79.1	-179.9	-13.8	0	0	106.5	S17 T21	S17-Q19 PolarHBondContact O-N 2.9Å; Q19-T21 PolarHBondContact O-N 3.08Å
20	R	60.5	Low	60.4	Low	238 Å²	238	126 Å²	126	90%	0.898	70%	0.704	S	S	*	*			trans	-55.8	115.1	173.8	-73.8	-177.9	176	-177.2	-1	107.9	S18 L22	S18-R20 PolarHBondContact O-N 3.13Å; R20-L22 VanDerWaalsContact C-N 3.32Å; R20-L22 PolarHBondContact O-N 3.03Å
21	T	62.3	Low	63.3	Low	133 Å²	133	119.9 Å²	119.9	82%	0.816	67%	0.667	S	S	*	*			trans	-78.9	-13.5	-172.2	44.8	0	0	0	0	113.8	Q19 P23	Q19-T21 PolarHBondContact O-N 3.08Å; T21-P23 WeakPolarHBondContact O-CD 3.32Å
22	L	63.6	Low	66.3	Low	149 Å²	149	112.5 Å²	112.5	78%	0.78	64%	0.635	S	S	*	*	S	Bend	trans	-90.3	118.3	180	-70.4	170.4	0	0	0	110.4	R20	R20-L22 VanDerWaalsContact C-N 3.32Å; R20-L22 PolarHBondContact O-N 3.03Å
23	P	71.9	Confident	69.2	Low	109 Å²	109	108.3 Å²	108.3	71%	0.708	60%	0.6	S	S	*	*	P	Polyproline II helix	trans	-62.5	154.8	171.4	27.2	-32.5	0	0	0	109.9	T21	T21-P23 WeakPolarHBondContact O-CD 3.32Å
24	R	72.6	Confident	72	Confident	236 Å²	236	103.2 Å²	103.2	89%	0.891	57%	0.565	S	S	*	*	P	Polyproline II helix	trans	-56.6	133.7	172.6	-71.5	-175.3	180	-179.2	0.4	108.7
25	P	74.4	Confident	74.5	Confident	104 Å²	104	94.9 Å²	94.9	68%	0.675	52%	0.52	S	S	*	.	P	Polyproline II helix	trans	-58.7	137.7	179.1	22.1	-30.5	0	0	0	109.5
26	P	78.1	Confident	77.1	Confident	107 Å²	107	91.9 Å²	91.9	70%	0.695	49%	0.489	S	S	*	.	P	Polyproline II helix	trans	-61.8	141.1	176.5	27	-33.2	0	0	0	109.1	G28	P26-G28 PolarHBondContact O-N 2.94Å
27	V	76.5	Confident	79.3	Confident	49 Å²	49	84.5 Å²	84.5	30%	0.297	45%	0.45	S	S	.	.			trans	-64.6	-26.7	-179.4	177.5	0	0	0	0	111.3	Q290 N291	V27-Q290 HydrophobicContact CG1-CB 4.3Å; V27-Q290 HydrophobicContact CG1-CG 4.23Å; V27-Q290 WeakPolarHBondContact CG1-O 3.32Å; V27-N291 PolarHBondContact O-ND2 3.15Å
28	G	88.1	Confident	81.3	Confident	41 Å²	41	79.4 Å²	79.4	42%	0.423	41%	0.414	S	S	.	.			trans	77.7	-154.9	-176.1	0	0	0	0	0	112.2	P26 L243	P26-G28 PolarHBondContact O-N 2.94Å; G28-L243 CarbonylContact C-O 3.51Å; G28-L243 WeakPolarHBondContact CA-O 3.46Å
29	N	91.3	Very high	83	Confident	23 Å²	23	74.8 Å²	74.8	12%	0.123	38%	0.381	C	S	.	.	S	Bend	trans	-63.5	142.7	176.5	-65.2	-37.5	0	0	0	111.1	A242 L243 P246 P247 K248 N291	N29-A242 PolarHBondContact ND2-O 3.42Å; N29-L243 PolarHBondContact N-O 3.37Å; N29-P246 PolarHBondContact ND2-O 3.1Å; N29-P247 VanDerWaalsContact OD1-CA 3.3Å; N29-P247 WeakPolarHBondContact OD1-CA 3.38Å; N29-K248 PolarHBondContact ND2-N 3.11Å; N29-K248 PolarHBondContact OD1-N 3.28Å; N29-N291 PolarHBondContact O-ND2 3.27Å
30	R	93.4	Very high	84.3	Confident	161 Å²	161	66.5 Å²	66.5	61%	0.608	34%	0.343	S	S	*	.	P	Polyproline II helix	trans	-101.3	146.5	171.8	-64.9	-170.9	-178.4	-167.5	-0.1	110.5	N291	R30-N291 CarbonylContact C-O 3.55Å; R30-N291 VanDerWaalsContact CA-O 3.29Å; R30-N291 WeakPolarHBondContact CA-O 3.27Å
31	V	95.2	Very high	85.4	Confident	0 Å²	0	58 Å²	58	0%	0	32%	0.316	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.3	131.3	-177.7	-178.4	0	0	0	0	109.7	V33 L243 I250 V252 M287 N291 G293	V31-V33 HydrophobicContact CG1-CG2 4.44Å; V31-L243 HydrophobicContact CG2-CD2 3.57Å; V31-I250 HydrophobicContact CG1-CB 4.43Å; V31-I250 HydrophobicContact CG1-CG2 4.07Å; V31-I250 HydrophobicContact CG2-CB 4.17Å; V31-I250 HydrophobicContact CG2-CD1 4.42Å; V31-I250 HydrophobicContact CG2-CG2 4.14Å; V31-V252 HydrophobicContact CG1-CB 4.19Å; V31-V252 HydrophobicContact CG1-CG2 3.24Å; V31-M287 HydrophobicContact CB-CE 3.95Å; V31-M287 HydrophobicContact CB-SD 4.4Å; V31-M287 HydrophobicContact CG2-CE 3.52Å; V31-M287 HydrophobicContact CG2-SD 3.94Å; V31-N291 PolarHBondContact N-O 2.99Å; V31-G293 WeakPolarHBondContact O-CA 3.34Å; V31-G293 PolarHBondContact O-N 3.29Å
32	T	96.9	Very high	86.7	Confident	33 Å²	33	51.7 Å²	51.7	20%	0.202	28%	0.277	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.8	132.4	172.4	-59.1	0	0	0	0	109	L51 I250 L251 V252 E294 Y296	T32-L51 HydrophobicContact CG2-CD1 4.33Å; T32-I250 PolarHBondContact N-O 3.16Å; T32-L251 HydrophobicContact CG2-CD1 3.94Å; T32-L251 CarbonylContact O-C 3.53Å; T32-L251 WeakPolarHBondContact O-CA 3.27Å; T32-V252 PolarHBondContact O-N 3.08Å; T32-E294 CarbonylContact C-O 3.53Å; T32-E294 WeakPolarHBondContact CA-O 3.46Å; T32-E294 HydrophobicContact CG2-CB 4.48Å; T32-Y296 HydrophobicContact CG2-CD2 3.67Å; T32-Y296 HydrophobicContact CG2-CE2 3.36Å
33	V	96.8	Very high	87.7	Confident	0 Å²	0	45.8 Å²	45.8	0%	0	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120	135.8	-175.8	-170	0	0	0	0	110.1	V31 L35 V252 V281 V292 E294 V295 Y296	V31-V33 HydrophobicContact CG1-CG2 4.44Å; V33-L35 HydrophobicContact CG1-CD1 4.17Å; V33-L35 HydrophobicContact CG1-CD2 3.69Å; V33-L35 HydrophobicContact CG1-CG 3.67Å; V33-V252 HydrophobicContact CG1-CB 4.34Å; V33-V252 HydrophobicContact CG1-CG1 4.38Å; V33-V252 HydrophobicContact CG2-CB 4.39Å; V33-V281 HydrophobicContact CG1-CG2 3.59Å; V33-V281 HydrophobicContact CG2-CG1 4.21Å; V33-V281 HydrophobicContact CG2-CG2 4.16Å; V33-V292 HydrophobicContact CG2-CG1 4.21Å; V33-E294 PolarHBondContact N-O 3.29Å; V33-V295 HydrophobicContact CB-CG1 4.28Å; V33-V295 HydrophobicContact CB-CG2 4.44Å; V33-Y296 PolarHBondContact O-N 2.87Å
34	V	96.1	Very high	88.5	Confident	0 Å²	0	41.7 Å²	41.7	0%	0	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115	115.9	171.5	-177.4	0	0	0	0	109.3	K44 V47 V48 L51 L251 V252 G254 Y296 V298	V34-K44 HydrophobicContact CG1-CB 4.36Å; V34-K44 HydrophobicContact CG1-CG 4.26Å; V34-V47 HydrophobicContact CG1-CB 4.22Å; V34-V47 HydrophobicContact CG1-CG1 4.08Å; V34-V47 HydrophobicContact CG2-CG1 4.16Å; V34-V48 HydrophobicContact CB-CG2 3.87Å; V34-V48 HydrophobicContact CG1-CG2 3.89Å; V34-V48 HydrophobicContact CG2-CG2 4.08Å; V34-L51 HydrophobicContact CG2-CD1 3.68Å; V34-L251 HydrophobicContact CG2-CD1 3.91Å; V34-V252 PolarHBondContact N-O 2.86Å; V34-G254 WeakPolarHBondContact O-CA 3.42Å; V34-G254 PolarHBondContact O-N 3.25Å; V34-Y296 HydrophobicContact CG2-CD2 4.42Å; V34-V298 HydrophobicContact CG1-CG2 3.49Å; V34-V298 VanDerWaalsContact CG1-CG2 3.49Å
35	L	95	Very high	89	Confident	3 Å²	3	30.9 Å²	30.9	2%	0.016	18%	0.184	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.2	153.7	-178.2	-59.2	177.5	0	0	0	111.1	V33 V278 V295 Y296 V298 N355 F357	V33-L35 HydrophobicContact CG1-CD1 4.17Å; V33-L35 HydrophobicContact CG1-CD2 3.69Å; V33-L35 HydrophobicContact CG1-CG 3.67Å; L35-V278 HydrophobicContact CD1-CB 4.08Å; L35-V295 HydrophobicContact CD1-CG1 3.94Å; L35-V295 HydrophobicContact CG-CG1 4.45Å; L35-Y296 PolarHBondContact N-O 3.34Å; L35-V298 PolarHBondContact O-N 2.57Å; L35-N355 HydrophobicContact CD1-CB 4.22Å; L35-N355 WeakPolarHBondContact CD1-OD1 3.11Å; L35-F357 HydrophobicContact CB-CE1 4.14Å; L35-F357 HydrophobicContact CD1-CE1 4.45Å
36	G	94.1	Very high	89.5	Confident	1 Å²	1	28.6 Å²	28.6	1%	0.01	16%	0.164	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.6	133.7	175.8	0	0	0	0	0	109	A258	G36-A258 WeakPolarHBondContact O-CB 3.34Å; G36-A258 PolarHBondContact O-N 2.97Å
37	A	93.6	Very high	90.1	Very high	0 Å²	0	23.6 Å²	23.6	0%	0	13%	0.131	C	C	.	.	S	Bend	trans	-91.6	-6.2	-177.4	0	0	0	0	0	113.8	V298 V299 A351 F357	A37-V298 WeakPolarHBondContact CB-O 3.48Å; A37-V298 PolarHBondContact N-O 2.81Å; A37-V299 HydrophobicContact CB-CG2 3.52Å; A37-A351 HydrophobicContact CB-CB 4.37Å; A37-A351 WeakPolarHBondContact O-CB 3.28Å; A37-F357 HydrophobicContact CB-CE2 4Å; A37-F357 HydrophobicContact CB-CZ 4.17Å
38	Q	93.4	Very high	90.7	Very high	0 Å²	0	21.2 Å²	21.2	0%	0	12%	0.117	C	C	.	.	S	Bend	trans	-124.1	-138.7	-173.5	-63.9	166	-52.4	0	0	110.7	E42 A257 L259 K300 Y302 T303	Q38-E42 WeakPolarHBondContact CA-OE1 3.39Å; Q38-E42 HydrophobicContact CB-CG 4.09Å; Q38-E42 PolarHBondContact N-OE1 2.92Å; Q38-A257 WeakPolarHBondContact O-CB 3.49Å; Q38-L259 VanDerWaalsContact O-CB 3.23Å; Q38-L259 WeakPolarHBondContact O-CB 3.4Å; Q38-L259 WeakPolarHBondContact O-CG 3.48Å; Q38-L259 PolarHBondContact O-N 2.9Å; Q38-K300 PolarHBondContact NE2-O 2.89Å; Q38-K300 VanDerWaalsContact OE1-CB 3.26Å; Q38-Y302 PolarHBondContact NE2-O 3.17Å; Q38-T303 PolarHBondContact NE2-OG1 3.37Å
39	W	90.4	Very high	90.7	Very high	5 Å²	5	19.8 Å²	19.8	2%	0.019	10%	0.1	C	C	.	.	S	Bend	trans	-98.7	28.8	177.7	-74.7	-77.6	0	0	0	113.2	L259 L260 T267 T303 R305 F311 L347	W39-L259 VanDerWaalsContact CD1-CB 3.49Å; W39-L259 HydrophobicContact CD2-CB 3.9Å; W39-L259 HydrophobicContact CD2-CD1 3.5Å; W39-L259 HydrophobicContact CD2-CG 4.37Å; W39-L259 HydrophobicContact CE3-CD1 3.6Å; W39-L259 HydrophobicContact CG-CB 3.81Å; W39-L259 HydrophobicContact CG-CD1 4.16Å; W39-L259 HydrophobicContact CH2-CD1 3.78Å; W39-L259 HydrophobicContact CZ2-CB 4.28Å; W39-L259 HydrophobicContact CZ2-CD1 3.66Å; W39-L259 HydrophobicContact CZ2-CG 4.48Å; W39-L259 HydrophobicContact CZ3-CD1 3.76Å; W39-L259 PolarHBondContact NE1-O 2.87Å; W39-L260 WeakPolarHBondContact O-CD1 3.02Å; W39-T267 HydrophobicContact CZ2-CG2 3.64Å; W39-T267 PolarHBondContact NE1-OG1 3.35Å; W39-T267 VanDerWaalsContact NE1-OG1 3.16Å; W39-T303 HydrophobicContact CE3-CG2 3.71Å; W39-T303 HydrophobicContact CZ3-CG2 3.65Å; W39-R305 HydrophobicContact CB-CB 4.31Å; W39-R305 HydrophobicContact CB-CG 4.26Å; W39-R305 HydrophobicContact CD2-CB 4.44Å; W39-R305 HydrophobicContact CD2-CG 4.33Å; W39-R305 HydrophobicContact CE3-CB 4.41Å; W39-R305 HydrophobicContact CG-CB 4.4Å; W39-R305 HydrophobicContact CG-CG 4.1Å; W39-F311 HydrophobicContact CH2-CD2 4.32Å; W39-F311 AromaticContact CZ3-CD2 3.86Å; W39-F311 HydrophobicContact CZ3-CD2 3.86Å; W39-F311 AromaticContact CZ3-CE2 3.96Å; W39-F311 HydrophobicContact CZ3-CE2 3.96Å; W39-L347 HydrophobicContact CE3-CD1 4.21Å; W39-L347 HydrophobicContact CH2-CD1 3.29Å; W39-L347 HydrophobicContact CH2-CD2 3.82Å; W39-L347 HydrophobicContact CH2-CG 4.22Å; W39-L347 HydrophobicContact CZ2-CD1 4.37Å; W39-L347 HydrophobicContact CZ2-CD2 4.33Å; W39-L347 HydrophobicContact CZ3-CD1 3.2Å; W39-L347 HydrophobicContact CZ3-CG 4.49Å
40	G	86.1	Confident	90.6	Very high	5 Å²	5	20.5 Å²	20.5	5%	0.052	10%	0.103	C	C	.	.	S	Bend	trans	92.3	177	179.6	0	0	0	0	0	112.9	E42	G40-E42 VanDerWaalsContact CA-CD 3.46Å; G40-E42 WeakPolarHBondContact CA-OE1 3.47Å; G40-E42 WeakPolarHBondContact CA-OE2 3.29Å; G40-E42 PolarHBondContact N-OE1 3.16Å; G40-E42 PolarHBondContact O-N 3.38Å; G40-E42 VanDerWaalsContact O-N 3.16Å
41	D	84.3	Confident	90.4	Very high	60 Å²	60	14.6 Å²	14.6	32%	0.321	8%	0.084	S	C	.	.			trans	59.8	21.4	179.9	-56	-60.6	0	0	0	115.3	G43 K300 R338	D41-G43 PolarHBondContact O-N 3.42Å; D41-G43 VanDerWaalsContact O-N 3.17Å; D41-K300 WeakPolarHBondContact O-CE 3.35Å; D41-K300 PolarHBondContact O-NZ 3.39Å; D41-R338 IonicContact OD1-CZ 3.71Å; D41-R338 IonicContact OD1-NE 3.33Å; D41-R338 IonicContact OD1-NH2 3.71Å; D41-R338 PolarHBondContact OD1-NH2 2.86Å; D41-R338 WeakPolarHBondContact OD2-CD 3.46Å; D41-R338 IonicContact OD2-CZ 3.78Å; D41-R338 VanDerWaalsContact OD2-CZ 3.28Å; D41-R338 IonicContact OD2-NE 3.04Å; D41-R338 PolarHBondContact OD2-NE 3.2Å; D41-R338 IonicContact OD2-NH2 3.43Å; D41-R338 PolarHBondContact OD2-NH2 3.37Å
42	E	88.6	Confident	90.2	Very high	0 Å²	0	14.7 Å²	14.7	0%	0	9%	0.085	C	C	.	.	S	Bend	trans	-73.3	-2	179.2	-49.2	90.5	160.7	0	0	112.9	Q38 G40 K44 A257 V298 K300 T363	Q38-E42 WeakPolarHBondContact CA-OE1 3.39Å; Q38-E42 HydrophobicContact CB-CG 4.09Å; Q38-E42 PolarHBondContact N-OE1 2.92Å; G40-E42 VanDerWaalsContact CA-CD 3.46Å; G40-E42 WeakPolarHBondContact CA-OE1 3.47Å; G40-E42 WeakPolarHBondContact CA-OE2 3.29Å; G40-E42 PolarHBondContact N-OE1 3.16Å; G40-E42 PolarHBondContact O-N 3.38Å; G40-E42 VanDerWaalsContact O-N 3.16Å; E42-K44 IonicContact OE2-NZ 3.9Å; E42-K44 PolarHBondContact OE2-NZ 3.28Å; E42-A257 WeakPolarHBondContact OE1-CB 3.41Å; E42-V298 HydrophobicContact CB-CB 4.25Å; E42-V298 HydrophobicContact CB-CG1 3.78Å; E42-V298 WeakPolarHBondContact CB-O 3.36Å; E42-V298 WeakPolarHBondContact CG-O 3.27Å; E42-V298 WeakPolarHBondContact O-CG1 3.45Å; E42-K300 HydrophobicContact CB-CB 4.45Å; E42-T363 WeakPolarHBondContact O-CB 3.35Å; E42-T363 VanDerWaalsContact O-CG2 3.3Å; E42-T363 WeakPolarHBondContact O-CG2 3.24Å; E42-T363 PolarHBondContact O-OG1 2.95Å
43	G	85.3	Confident	89.7	Confident	24 Å²	24	17.9 Å²	17.9	25%	0.247	10%	0.097	C	C	.	.			trans	83.3	25.9	-178.5	0	0	0	0	0	114.1	D41 G45 K46	D41-G43 PolarHBondContact O-N 3.42Å; D41-G43 VanDerWaalsContact O-N 3.17Å; G43-G45 PolarHBondContact O-N 3.22Å; G43-G45 VanDerWaalsContact O-N 3.1Å; G43-K46 PolarHBondContact O-N 2.84Å
44	K	87.8	Confident	89.4	Confident	24 Å²	24	23.2 Å²	23.2	10%	0.104	13%	0.125	C	C	.	.	H	α-helix	trans	-46.5	-39.3	174.2	-74.6	-177	-69.8	-68.1	0	113.7	V34 E42 K46 V47 V48 N256 V298	V34-K44 HydrophobicContact CG1-CB 4.36Å; V34-K44 HydrophobicContact CG1-CG 4.26Å; E42-K44 IonicContact OE2-NZ 3.9Å; E42-K44 PolarHBondContact OE2-NZ 3.28Å; K44-K46 PolarHBondContact O-N 3.18Å; K44-K46 VanDerWaalsContact O-N 3.1Å; K44-V47 PolarHBondContact O-N 3.19Å; K44-V48 WeakPolarHBondContact O-CG2 3.32Å; K44-V48 PolarHBondContact O-N 3.35Å; K44-N256 WeakPolarHBondContact CE-O 3.49Å; K44-N256 PolarHBondContact NZ-O 3.26Å; K44-V298 HydrophobicContact CB-CG2 4.41Å; K44-V298 HydrophobicContact CG-CB 3.79Å; K44-V298 HydrophobicContact CG-CG1 4.24Å; K44-V298 HydrophobicContact CG-CG2 3.72Å
45	G	84.1	Confident	89.3	Confident	8 Å²	8	23.5 Å²	23.5	8%	0.082	13%	0.128	C	C	.	.	H	α-helix	trans	-52.2	-34.8	-179.9	0	0	0	0	0	113.3	G43 D49	G43-G45 PolarHBondContact O-N 3.22Å; G43-G45 VanDerWaalsContact O-N 3.1Å; G45-D49 WeakPolarHBondContact O-CB 3.3Å; G45-D49 PolarHBondContact O-N 3.43Å
46	K	84.4	Confident	89.3	Confident	57 Å²	57	26.9 Å²	26.9	25%	0.248	15%	0.146	C	C	.	.	H	α-helix	trans	-71	-41.1	177.2	-64.9	-178.5	-175.4	168.2	0	112.9	G43 K44 D49 L50 G448 K449	G43-K46 PolarHBondContact O-N 2.84Å; K44-K46 PolarHBondContact O-N 3.18Å; K44-K46 VanDerWaalsContact O-N 3.1Å; K46-D49 PolarHBondContact O-N 3.41Å; K46-L50 WeakPolarHBondContact O-CB 3.47Å; K46-L50 PolarHBondContact O-N 3.01Å; K46-G448 PolarHBondContact NZ-O 2.93Å; K46-K449 WeakPolarHBondContact CE-O 3.27Å
47	V	89.8	Confident	89.3	Confident	1 Å²	1	27.1 Å²	27.1	1%	0.006	15%	0.147	C	C	.	.	H	α-helix	trans	-67.5	-42.2	177.9	-178.3	0	0	0	0	109.6	V34 K44 L50 L51 V298 A361 W444	V34-V47 HydrophobicContact CG1-CB 4.22Å; V34-V47 HydrophobicContact CG1-CG1 4.08Å; V34-V47 HydrophobicContact CG2-CG1 4.16Å; K44-V47 PolarHBondContact O-N 3.19Å; V47-L50 PolarHBondContact O-N 3.39Å; V47-L51 HydrophobicContact CG1-CD1 4Å; V47-L51 WeakPolarHBondContact O-CB 3.01Å; V47-L51 VanDerWaalsContact O-CG 3.29Å; V47-L51 WeakPolarHBondContact O-CG 3.49Å; V47-L51 PolarHBondContact O-N 2.86Å; V47-V298 HydrophobicContact CB-CG2 4.3Å; V47-V298 HydrophobicContact CG2-CG1 4.33Å; V47-V298 HydrophobicContact CG2-CG2 4Å; V47-A361 HydrophobicContact CG1-CB 4.47Å; V47-A361 HydrophobicContact CG2-CB 3.63Å; V47-W444 HydrophobicContact CG1-CE3 4.34Å; V47-W444 HydrophobicContact CG1-CZ3 4.27Å
48	V	90.2	Very high	89.4	Confident	0 Å²	0	27.1 Å²	27.1	0%	0	15%	0.147	C	C	.	.	H	α-helix	trans	-64.8	-43.6	175.8	-178.5	0	0	0	0	110.8	V34 K44 L50 L51 A52 V58 S85 L251 E253	V34-V48 HydrophobicContact CB-CG2 3.87Å; V34-V48 HydrophobicContact CG1-CG2 3.89Å; V34-V48 HydrophobicContact CG2-CG2 4.08Å; K44-V48 WeakPolarHBondContact O-CG2 3.32Å; K44-V48 PolarHBondContact O-N 3.35Å; V48-L50 PolarHBondContact O-N 2.92Å; V48-L51 PolarHBondContact O-N 2.89Å; V48-A52 WeakPolarHBondContact O-CB 3.24Å; V48-A52 PolarHBondContact O-N 3.46Å; V48-V58 HydrophobicContact CG1-CG1 4.42Å; V48-S85 WeakPolarHBondContact CG1-OG 3.46Å; V48-L251 HydrophobicContact CG1-CD2 3.85Å; V48-E253 HydrophobicContact CG1-CB 4.28Å; V48-E253 HydrophobicContact CG1-CG 4.41Å; V48-E253 HydrophobicContact CG2-CB 4.38Å; V48-E253 HydrophobicContact CG2-CG 4.07Å
49	D	87.6	Confident	89.5	Confident	11 Å²	11	27.1 Å²	27.1	6%	0.059	15%	0.147	C	C	.	.	H	α-helix	trans	-61.9	-41.2	177.2	179.4	54.8	0	0	0	112.8	G45 K46 A52 V71 R451	G45-D49 WeakPolarHBondContact O-CB 3.3Å; G45-D49 PolarHBondContact O-N 3.43Å; K46-D49 PolarHBondContact O-N 3.41Å; D49-A52 PolarHBondContact O-N 3.28Å; D49-V71 HydrophobicContact CB-CG1 4.2Å; D49-V71 HydrophobicContact CB-CG2 4.24Å; D49-V71 VanDerWaalsContact OD1-CG1 3.28Å; D49-V71 WeakPolarHBondContact OD1-CG1 3.45Å; D49-R451 IonicContact OD1-CZ 3.45Å; D49-R451 IonicContact OD1-NE 3.69Å; D49-R451 IonicContact OD1-NH2 3.84Å; D49-R451 PolarHBondContact OD1-NH2 3.26Å; D49-R451 IonicContact OD2-CZ 3.72Å; D49-R451 IonicContact OD2-NE 3.16Å; D49-R451 PolarHBondContact OD2-NE 3.05Å; D49-R451 IonicContact OD2-NH2 2.92Å; D49-R451 PolarHBondContact OD2-NH2 2.91Å
50	L	89.1	Confident	89.7	Confident	37 Å²	37	27.1 Å²	27.1	19%	0.194	15%	0.147	C	C	.	.	H	α-helix	trans	-61	-49.5	173	-179.1	67.1	0	0	0	111.3	K46 V47 V48 A52 Q53 R451 M454	K46-L50 WeakPolarHBondContact O-CB 3.47Å; K46-L50 PolarHBondContact O-N 3.01Å; V47-L50 PolarHBondContact O-N 3.39Å; V48-L50 PolarHBondContact O-N 2.92Å; L50-A52 VanDerWaalsContact C-N 3.32Å; L50-A52 PolarHBondContact O-N 3.24Å; L50-Q53 PolarHBondContact O-N 3.21Å; L50-R451 HydrophobicContact CD1-CG 4.22Å; L50-M454 HydrophobicContact CD2-CG 4.46Å
51	L	90.5	Very high	90.1	Very high	38 Å²	38	27 Å²	27	20%	0.199	15%	0.146	C	C	.	.	H	α-helix	trans	-71.4	-26.3	-178.7	-67.6	173.3	0	0	0	113.1	T32 V34 V47 V48 Q53 D54 A55 L251 Y296 W444	T32-L51 HydrophobicContact CG2-CD1 4.33Å; V34-L51 HydrophobicContact CG2-CD1 3.68Å; V47-L51 HydrophobicContact CG1-CD1 4Å; V47-L51 WeakPolarHBondContact O-CB 3.01Å; V47-L51 VanDerWaalsContact O-CG 3.29Å; V47-L51 WeakPolarHBondContact O-CG 3.49Å; V47-L51 PolarHBondContact O-N 2.86Å; V48-L51 PolarHBondContact O-N 2.89Å; L51-Q53 VanDerWaalsContact C-N 3.25Å; L51-Q53 PolarHBondContact O-N 2.92Å; L51-D54 PolarHBondContact O-N 3.17Å; L51-A55 PolarHBondContact O-N 3.43Å; L51-L251 HydrophobicContact CB-CD1 4.02Å; L51-L251 HydrophobicContact CB-CD2 3.67Å; L51-L251 HydrophobicContact CB-CG 4.5Å; L51-L251 HydrophobicContact CD1-CD1 3.9Å; L51-Y296 HydrophobicContact CD1-CD2 3.84Å; L51-Y296 HydrophobicContact CD1-CE2 3.98Å; L51-W444 HydrophobicContact CD1-CH2 4.24Å; L51-W444 HydrophobicContact CD2-CH2 3.87Å; L51-W444 HydrophobicContact CD2-CZ2 3.89Å; L51-W444 HydrophobicContact CG-CH2 4.4Å
52	A	89.8	Confident	90.4	Very high	2 Å²	2	24.7 Å²	24.7	2%	0.017	13%	0.133	C	C	.	.	H	α-helix	trans	-72.4	-14.9	-179.8	0	0	0	0	0	113.5	V48 D49 L50 D54 V58 N89 L251	V48-A52 WeakPolarHBondContact O-CB 3.24Å; V48-A52 PolarHBondContact O-N 3.46Å; D49-A52 PolarHBondContact O-N 3.28Å; L50-A52 VanDerWaalsContact C-N 3.32Å; L50-A52 PolarHBondContact O-N 3.24Å; A52-D54 PolarHBondContact O-N 3.06Å; A52-V58 HydrophobicContact CB-CG2 4.12Å; A52-N89 PolarHBondContact O-ND2 3.36Å; A52-L251 HydrophobicContact CB-CD2 4.25Å
53	Q	87.9	Confident	90.4	Very high	99 Å²	99	24.7 Å²	24.7	46%	0.463	13%	0.133	S	C	.	.	T	Hydrogen-bonded Turn	trans	-62.4	-36.1	174.5	-63.7	-167.8	-78.4	0	0	111.9	L50 L51 N89 R451	L50-Q53 PolarHBondContact O-N 3.21Å; L51-Q53 VanDerWaalsContact C-N 3.25Å; L51-Q53 PolarHBondContact O-N 2.92Å; Q53-N89 PolarHBondContact O-ND2 2.88Å; Q53-R451 VanDerWaalsContact CD-NH1 3.25Å
54	D	89.2	Confident	90.4	Very high	112 Å²	112	23.7 Å²	23.7	60%	0.599	12%	0.122	S	C	*	.	S	Bend	trans	-105.8	0.7	-176.8	-74.5	-14.4	0	0	0	113.2	L51 A52 K249	L51-D54 PolarHBondContact O-N 3.17Å; A52-D54 PolarHBondContact O-N 3.06Å; D54-K249 HydrophobicContact CB-CD 4.45Å; D54-K249 WeakPolarHBondContact O-CD 3.26Å
55	A	93.7	Very high	90	Very high	6 Å²	6	23.3 Å²	23.3	5%	0.05	12%	0.121	C	C	.	.			trans	-80.5	143.8	179.8	0	0	0	0	0	111.5	L51 V58 V92 L251	L51-A55 PolarHBondContact O-N 3.43Å; A55-V58 HydrophobicContact CB-CG2 3.91Å; A55-V92 HydrophobicContact CB-CG2 4.5Å; A55-V92 WeakPolarHBondContact O-CG2 3.2Å; A55-L251 HydrophobicContact CB-CB 4.17Å
56	D	95	Very high	89.6	Confident	74 Å²	74	24.1 Å²	24.1	40%	0.396	12%	0.124	S	C	.	.	S	Bend	trans	-86.1	-29.3	168.2	-60.8	-65.1	0	0	0	110.9	T93 K248 K249	D56-T93 PolarHBondContact O-N 2.9Å; D56-K248 HydrophobicContact CB-CB 4.39Å; D56-K248 HydrophobicContact CB-CG 4.44Å; D56-K248 WeakPolarHBondContact OD2-CA 3.44Å; D56-K249 PolarHBondContact N-O 2.76Å; D56-K249 PolarHBondContact OD2-N 3.33Å
57	M	95.4	Very high	88.8	Confident	6 Å²	6	22.1 Å²	22.1	3%	0.03	12%	0.118	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-144.6	134	-174	-172.8	179.9	-179.1	0	0	110.9	C59 T93 F95 F238 M239 A242 K249 I250 L251	M57-C59 VanDerWaalsContact CE-SG 3.58Å; M57-T93 VanDerWaalsContact CA-O 3.28Å; M57-T93 WeakPolarHBondContact CA-O 3.07Å; M57-F95 HydrophobicContact CE-CB 3.35Å; M57-F95 HydrophobicContact CE-CD1 3.73Å; M57-F95 HydrophobicContact CE-CD2 4.42Å; M57-F95 HydrophobicContact CE-CG 3.59Å; M57-F238 HydrophobicContact CE-CD1 3.85Å; M57-F238 HydrophobicContact CE-CE1 3.2Å; M57-F238 HydrophobicContact CE-CZ 3.96Å; M57-F238 HydrophobicContact SD-CE1 4.38Å; M57-M239 HydrophobicContact CE-CE 3.67Å; M57-M239 HydrophobicContact SD-CE 4.45Å; M57-A242 HydrophobicContact SD-CB 3.99Å; M57-K249 PolarHBondContact N-O 2.83Å; M57-I250 HydrophobicContact CB-CG1 4.35Å; M57-I250 HydrophobicContact CB-CG2 4.43Å; M57-I250 HydrophobicContact CG-CG2 4.47Å; M57-I250 HydrophobicContact SD-CG1 4.42Å; M57-I250 HydrophobicContact SD-CG2 4.28Å; M57-L251 PolarHBondContact O-N 2.79Å
58	V	95.8	Very high	87.8	Confident	0 Å²	0	24.3 Å²	24.3	0%	0	14%	0.141	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.3	125.5	175.5	-175.2	0	0	0	0	110	V48 A52 A55 P84 V92 T93 A94 F95 L251	V48-V58 HydrophobicContact CG1-CG1 4.42Å; A52-V58 HydrophobicContact CB-CG2 4.12Å; A55-V58 HydrophobicContact CB-CG2 3.91Å; V58-P84 HydrophobicContact CB-CB 4.36Å; V58-P84 HydrophobicContact CG1-CB 3.92Å; V58-V92 HydrophobicContact CB-CG1 3.94Å; V58-V92 HydrophobicContact CG2-CG1 3.63Å; V58-V92 HydrophobicContact CG2-CG2 4.35Å; V58-T93 PolarHBondContact N-O 3.21Å; V58-A94 CarbonylContact O-C 3.49Å; V58-A94 WeakPolarHBondContact O-CA 3.43Å; V58-F95 PolarHBondContact O-N 3.48Å; V58-L251 CarbonylContact C-O 3.57Å; V58-L251 VanDerWaalsContact CA-O 3.32Å; V58-L251 WeakPolarHBondContact CA-O 3.44Å; V58-L251 HydrophobicContact CG1-CD2 4.42Å; V58-L251 HydrophobicContact CG2-CB 4.19Å; V58-L251 HydrophobicContact CG2-CD2 4.16Å
59	C	95.3	Very high	87.1	Confident	0 Å²	0	25 Å²	25	0%	0	14%	0.144	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.3	142.9	-168.5	-54.2	0	0	0	0	111.4	M57 F95 L251 V252 E253 L285	M57-C59 VanDerWaalsContact CE-SG 3.58Å; C59-F95 CarbonylContact C-O 3.33Å; C59-F95 VanDerWaalsContact CA-O 3.23Å; C59-F95 WeakPolarHBondContact CA-O 3.48Å; C59-F95 HydrophobicContact CB-CB 4.47Å; C59-F95 HydrophobicContact CB-CD1 4.29Å; C59-L251 PolarHBondContact N-O 3.15Å; C59-V252 HydrophobicContact CB-CG2 4.06Å; C59-V252 WeakPolarHBondContact O-CA 3.42Å; C59-E253 PolarHBondContact O-N 2.82Å; C59-L285 HydrophobicContact CB-CD1 4.3Å; C59-L285 HydrophobicContact CB-CD2 4.13Å
60	R	94.8	Very high	86.5	Confident	5 Å²	5	27.1 Å²	27.1	2%	0.019	16%	0.158	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.1	134.5	157.5	-75.5	-162.1	-161.4	-92.7	5.3	110	H69 H81 L82 L83 P84 F95 G97 V100 E253	R60-H69 PolarHBondContact NH2-CE1 3.43Å; R60-H69 PolarHBondContact NH2-ND1 3.38Å; R60-H69 VanDerWaalsContact NH2-ND1 3.15Å; R60-H81 PolarHBondContact NE-O 3.03Å; R60-H81 PolarHBondContact NH2-O 3.33Å; R60-L82 WeakPolarHBondContact CD-O 3.38Å; R60-L82 PolarHBondContact NE-O 2.82Å; R60-L82 VanDerWaalsContact NE-O 3.07Å; R60-L83 PolarHBondContact NE-O 2.77Å; R60-L83 PolarHBondContact NH2-O 2.73Å; R60-P84 HydrophobicContact CG-CB 4.44Å; R60-P84 HydrophobicContact CG-CG 4.2Å; R60-F95 PolarHBondContact N-O 3.39Å; R60-G97 WeakPolarHBondContact O-CA 3.41Å; R60-G97 PolarHBondContact O-N 2.86Å; R60-V100 HydrophobicContact CB-CG2 4.11Å; R60-E253 HydrophobicContact CG-CB 4.43Å; R60-E253 IonicContact CZ-OE1 3.28Å; R60-E253 VanDerWaalsContact CZ-OE1 3.29Å; R60-E253 IonicContact CZ-OE2 2.71Å; R60-E253 IonicContact NH1-OE1 3.35Å; R60-E253 PolarHBondContact NH1-OE1 3.02Å; R60-E253 IonicContact NH1-OE2 3.68Å; R60-E253 IonicContact NH2-OE1 2.74Å; R60-E253 PolarHBondContact NH2-OE1 3.3Å; R60-E253 IonicContact NH2-OE2 3.34Å
61	C	93.3	Very high	85.9	Confident	4 Å²	4	25.5 Å²	25.5	3%	0.027	15%	0.149	C	C	.	.			trans	-104.1	-28.4	-176.9	58.1	0	0	0	0	114	G99 V252 G284 L285	C61-G99 CarbonylContact O-C 3.57Å; C61-G99 WeakPolarHBondContact O-CA 3.28Å; C61-G99 PolarHBondContact O-N 3.36Å; C61-V252 HydrophobicContact CB-CG1 4.2Å; C61-G284 VanDerWaalsContact O-CA 3.23Å; C61-G284 WeakPolarHBondContact O-CA 3.47Å; C61-L285 HydrophobicContact CB-CD1 4.22Å; C61-L285 HydrophobicContact CB-CD2 3.99Å; C61-L285 HydrophobicContact CB-CG 3.77Å
62	Q	91.7	Very high	85.2	Confident	10 Å²	10	27.1 Å²	27.1	5%	0.047	16%	0.161	C	C	.	.	S	Bend	trans	-148.4	172.2	-169.8	-62.3	-66.7	-12.8	0	0	111.6	G99 A255 N275 G280 T283 G284	Q62-G99 PolarHBondContact OE1-O 3.25Å; Q62-G99 VanDerWaalsContact OE1-O 3.11Å; Q62-A255 WeakPolarHBondContact O-CB 3.47Å; Q62-N275 WeakPolarHBondContact CG-O 3.48Å; Q62-G280 WeakPolarHBondContact CG-O 3.33Å; Q62-G280 PolarHBondContact NE2-O 3.46Å; Q62-T283 PolarHBondContact NE2-OG1 2.84Å; Q62-T283 VanDerWaalsContact NE2-OG1 3.17Å; Q62-G284 VanDerWaalsContact NE2-CA 3.25Å
63	G	87.9	Confident	84.4	Confident	0 Å²	0	28.6 Å²	28.6	0%	0	17%	0.169	C	C	.	.	B	Isolated β-bridge	trans	81.5	-157.1	177.4	0	0	0	0	0	112.4	V100 V101 Y171	G63-V100 WeakPolarHBondContact O-CA 3.45Å; G63-V100 WeakPolarHBondContact O-CG1 3.16Å; G63-V101 WeakPolarHBondContact O-CG2 3.48Å; G63-V101 PolarHBondContact O-N 2.76Å; G63-Y171 PolarHBondContact N-OH 2.89Å; G63-Y171 VanDerWaalsContact N-OH 3.14Å
64	G	85.8	Confident	83.7	Confident	3 Å²	3	31.1 Å²	31.1	3%	0.031	19%	0.186	C	C	.	.			trans	-156.5	-145.1	173.9	0	0	0	0	0	110.5	N66 V101	G64-N66 PolarHBondContact N-OD1 3.42Å; G64-N66 PolarHBondContact O-N 2.98Å; G64-N66 PolarHBondContact O-OD1 3.39Å; G64-V101 WeakPolarHBondContact CA-O 3.45Å
65	N	80	Confident	83	Confident	16 Å²	16	31.6 Å²	31.6	9%	0.086	20%	0.198	C	C	.	.	T	Hydrogen-bonded Turn	trans	-76.5	18.7	178.8	66.1	-9.3	0	0	0	114.1	H81 K165	N65-H81 HydrophobicContact CB-CB 4.23Å; N65-K165 WeakPolarHBondContact OD1-CB 3.37Å
66	N	74.5	Confident	82.4	Confident	26 Å²	26	33.4 Å²	33.4	14%	0.139	21%	0.208	C	C	.	.	T	Hydrogen-bonded Turn	trans	-92.1	-16	176.7	65.6	-49.9	0	0	0	113	G64 T163 I167 N256	G64-N66 PolarHBondContact N-OD1 3.42Å; G64-N66 PolarHBondContact O-N 2.98Å; G64-N66 PolarHBondContact O-OD1 3.39Å; N66-T163 HydrophobicContact CB-CG2 4.07Å; N66-T163 WeakPolarHBondContact CB-OG1 3.4Å; N66-I167 HydrophobicContact CB-CD1 4.38Å; N66-I167 HydrophobicContact CB-CG1 3.84Å; N66-N256 PolarHBondContact ND2-OD1 3.23Å
67	A	66.9	Low	81.8	Confident	15 Å²	15	35.3 Å²	35.3	12%	0.124	22%	0.215	C	C	.	.			trans	-92.8	142.3	165.5	0	0	0	0	0	108.6	H81 A255	A67-H81 WeakPolarHBondContact O-CA 3.32Å; A67-H81 WeakPolarHBondContact O-CB 3.45Å; A67-A255 HydrophobicContact CB-CB 4.44Å
68	G	69.4	Low	81.3	Confident	47 Å²	47	35.4 Å²	35.4	49%	0.485	22%	0.215	S	C	.	.			trans	-138.3	137.6	175.3	0	0	0	0	0	109.6	F80	G68-F80 CarbonylContact C-O 3.58Å; G68-F80 WeakPolarHBondContact CA-O 3.46Å
69	H	74.7	Confident	80.8	Confident	15 Å²	15	36.9 Å²	36.9	7%	0.069	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132	141.7	170.8	63.2	-112.3	0	0	0	110	R60 F80 S85 E253	R60-H69 PolarHBondContact NH2-CE1 3.43Å; R60-H69 PolarHBondContact NH2-ND1 3.38Å; R60-H69 VanDerWaalsContact NH2-ND1 3.15Å; H69-F80 AromaticContact CD2-CD2 3.64Å; H69-F80 PolarHBondContact N-O 2.79Å; H69-F80 WeakPolarHBondContact NE2-CB 3.3Å; H69-F80 AromaticContact NE2-CD2 3.27Å; H69-F80 VanDerWaalsContact NE2-CD2 3.27Å; H69-F80 WeakPolarHBondContact NE2-CD2 3.28Å; H69-F80 AromaticContact NE2-CG 3.5Å; H69-F80 PolarHBondContact O-N 2.88Å; H69-S85 VanDerWaalsContact CE1-CB 3.45Å; H69-S85 WeakPolarHBondContact CE1-CB 3.22Å; H69-S85 PolarHBondContact CE1-N 3.38Å; H69-S85 PolarHBondContact CE1-OG 3Å; H69-S85 WeakPolarHBondContact NE2-CA 3.49Å; H69-S85 WeakPolarHBondContact NE2-CB 3.4Å; H69-S85 PolarHBondContact NE2-N 3.26Å; H69-S85 PolarHBondContact NE2-OG 3.09Å; H69-E253 VanDerWaalsContact CE1-CD 3.5Å; H69-E253 IonicContact CE1-OE1 3.92Å; H69-E253 PolarHBondContact CE1-OE1 3.37Å; H69-E253 IonicContact CE1-OE2 2.75Å; H69-E253 PolarHBondContact CE1-OE2 2.98Å; H69-E253 IonicContact CG-OE1 3.37Å; H69-E253 IonicContact ND1-OE1 2.81Å; H69-E253 PolarHBondContact ND1-OE1 3.46Å; H69-E253 IonicContact ND1-OE2 3.55Å
70	T	75.3	Confident	80.4	Confident	55 Å²	55	36.9 Å²	36.9	34%	0.337	22%	0.223	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.9	126.4	173.2	-55.5	0	0	0	0	108.2	E77 Y78 D79	T70-E77 HydrophobicContact CG2-CB 4.11Å; T70-Y78 CarbonylContact C-O 3.51Å; T70-Y78 VanDerWaalsContact CA-O 3.26Å; T70-Y78 WeakPolarHBondContact CA-O 3.43Å; T70-D79 WeakPolarHBondContact CG2-OD1 3.41Å; T70-D79 PolarHBondContact OG1-OD1 3.41Å
71	V	77.4	Confident	80.1	Confident	3 Å²	3	38.8 Å²	38.8	2%	0.018	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115	137.2	174.6	173.4	0	0	0	0	108.1	D49 V73 Y78 F80	D49-V71 HydrophobicContact CB-CG1 4.2Å; D49-V71 HydrophobicContact CB-CG2 4.24Å; D49-V71 VanDerWaalsContact OD1-CG1 3.28Å; D49-V71 WeakPolarHBondContact OD1-CG1 3.45Å; V71-V73 HydrophobicContact CG1-CG2 3.92Å; V71-Y78 PolarHBondContact N-O 2.94Å; V71-Y78 PolarHBondContact O-N 2.98Å; V71-F80 HydrophobicContact CB-CE2 4.22Å; V71-F80 HydrophobicContact CG2-CD2 4.41Å; V71-F80 HydrophobicContact CG2-CE2 4.45Å
72	V	75.4	Confident	79.9	Confident	72 Å²	72	38.7 Å²	38.7	44%	0.436	23%	0.231	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.5	115.8	179.9	-171.3	0	0	0	0	108.9	V76 E77	V72-V76 WeakPolarHBondContact CA-O 3.41Å; V72-E77 HydrophobicContact CG1-CG 4.48Å; V72-E77 HydrophobicContact CG2-CG 4Å
73	V	72.8	Confident	79.9	Confident	33 Å²	33	38.2 Å²	38.2	20%	0.2	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.8	129.9	176.3	-179.2	0	0	0	0	108.6	V71 S75 V76 Y78 I88	V71-V73 HydrophobicContact CG1-CG2 3.92Å; V73-S75 PolarHBondContact O-N 2.98Å; V73-S75 VanDerWaalsContact O-N 3.16Å; V73-V76 PolarHBondContact N-O 3.22Å; V73-V76 WeakPolarHBondContact O-CB 3.36Å; V73-V76 PolarHBondContact O-N 3.02Å; V73-Y78 HydrophobicContact CB-CE2 4.39Å; V73-I88 HydrophobicContact CB-CG1 4.33Å; V73-I88 HydrophobicContact CG2-CG1 3.69Å; V73-I88 HydrophobicContact CG2-CG2 4.44Å
74	D	72.6	Confident	80.1	Confident	152 Å²	152	38.2 Å²	38.2	81%	0.813	23%	0.229	S	C	*	.	T	Hydrogen-bonded Turn	trans	49.2	41.7	-179.6	-56.8	-32.2	0	0	0	113.3	V76	D74-V76 PolarHBondContact O-N 3.04Å
75	S	76	Confident	80.2	Confident	121 Å²	121	38.1 Å²	38.1	85%	0.846	23%	0.227	S	C	*	.	T	Hydrogen-bonded Turn	trans	64.9	11.7	-176.6	-51.6	0	0	0	0	115.8	V73	V73-S75 PolarHBondContact O-N 2.98Å; V73-S75 VanDerWaalsContact O-N 3.16Å
76	V	81	Confident	80.5	Confident	44 Å²	44	37.3 Å²	37.3	27%	0.267	22%	0.223	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.9	127.6	172.7	-177	0	0	0	0	110.1	V72 V73 D74 Y78 K117	V72-V76 WeakPolarHBondContact CA-O 3.41Å; V73-V76 PolarHBondContact N-O 3.22Å; V73-V76 WeakPolarHBondContact O-CB 3.36Å; V73-V76 PolarHBondContact O-N 3.02Å; D74-V76 PolarHBondContact O-N 3.04Å; V76-Y78 HydrophobicContact CB-CD2 4.48Å; V76-Y78 HydrophobicContact CB-CE2 3.8Å; V76-Y78 HydrophobicContact CG1-CD2 4.21Å; V76-Y78 HydrophobicContact CG1-CE1 4.31Å; V76-Y78 HydrophobicContact CG1-CE2 3.63Å; V76-K117 HydrophobicContact CG1-CB 3.99Å; V76-K117 WeakPolarHBondContact CG1-O 3.48Å
77	E	82.5	Confident	81.2	Confident	115 Å²	115	36.1 Å²	36.1	54%	0.537	22%	0.217	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.6	112.1	178.5	-57.5	-166.7	154.2	0	0	111.4	T70 V72 K117	T70-E77 HydrophobicContact CG2-CB 4.11Å; V72-E77 HydrophobicContact CG1-CG 4.48Å; V72-E77 HydrophobicContact CG2-CG 4Å; E77-K117 VanDerWaalsContact O-CD 3.23Å; E77-K117 WeakPolarHBondContact O-CD 3.11Å; E77-K117 PolarHBondContact O-NZ 2.99Å
78	Y	83.8	Confident	82.1	Confident	8 Å²	8	36.2 Å²	36.2	3%	0.031	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.4	134.6	175	-65.8	-85	0	0	0	110.5	T70 V71 V73 V76 F80 I88 N114 K117 G118 G120 L121	T70-Y78 CarbonylContact C-O 3.51Å; T70-Y78 VanDerWaalsContact CA-O 3.26Å; T70-Y78 WeakPolarHBondContact CA-O 3.43Å; V71-Y78 PolarHBondContact N-O 2.94Å; V71-Y78 PolarHBondContact O-N 2.98Å; V73-Y78 HydrophobicContact CB-CE2 4.39Å; V76-Y78 HydrophobicContact CB-CD2 4.48Å; V76-Y78 HydrophobicContact CB-CE2 3.8Å; V76-Y78 HydrophobicContact CG1-CD2 4.21Å; V76-Y78 HydrophobicContact CG1-CE1 4.31Å; V76-Y78 HydrophobicContact CG1-CE2 3.63Å; Y78-F80 HydrophobicContact CG-CE2 4.48Å; Y78-F80 HydrophobicContact CG-CZ 4.42Å; Y78-I88 HydrophobicContact CD1-CD1 4.09Å; Y78-I88 HydrophobicContact CD2-CD1 3.58Å; Y78-I88 HydrophobicContact CD2-CG1 4.49Å; Y78-I88 HydrophobicContact CE1-CD1 4.1Å; Y78-I88 HydrophobicContact CE2-CD1 3.6Å; Y78-I88 HydrophobicContact CG-CD1 3.83Å; Y78-N114 HydrophobicContact CD1-CB 4.08Å; Y78-N114 WeakPolarHBondContact CE1-O 3.33Å; Y78-K117 HydrophobicContact CE1-CB 4.21Å; Y78-G118 VanDerWaalsContact OH-C 3.25Å; Y78-G118 VanDerWaalsContact OH-CA 3.29Å; Y78-G118 WeakPolarHBondContact OH-CA 3.44Å; Y78-G120 PolarHBondContact OH-N 2.86Å; Y78-L121 HydrophobicContact CD1-CD1 3.89Å; Y78-L121 HydrophobicContact CE1-CD1 4.02Å
79	D	84.9	Confident	82.9	Confident	30 Å²	30	35.3 Å²	35.3	16%	0.16	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.9	110.3	-178.7	-60.6	-53.9	0	0	0	109.2	T70 N114 K117	T70-D79 WeakPolarHBondContact CG2-OD1 3.41Å; T70-D79 PolarHBondContact OG1-OD1 3.41Å; D79-N114 PolarHBondContact N-OD1 3.04Å; D79-N114 VanDerWaalsContact N-OD1 3.08Å; D79-N114 PolarHBondContact O-ND2 3.29Å; D79-N114 PolarHBondContact O-OD1 2.88Å; D79-K117 IonicContact OD2-NZ 2.77Å; D79-K117 PolarHBondContact OD2-NZ 3.48Å
80	F	87.6	Confident	83.5	Confident	0 Å²	0	39.2 Å²	39.2	0%	0	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.4	140.3	-178.6	-59	-77.7	0	0	0	110.2	G68 H69 V71 Y78 L83 I87 I88 E110 L121	G68-F80 CarbonylContact C-O 3.58Å; G68-F80 WeakPolarHBondContact CA-O 3.46Å; H69-F80 AromaticContact CD2-CD2 3.64Å; H69-F80 PolarHBondContact N-O 2.79Å; H69-F80 WeakPolarHBondContact NE2-CB 3.3Å; H69-F80 AromaticContact NE2-CD2 3.27Å; H69-F80 VanDerWaalsContact NE2-CD2 3.27Å; H69-F80 WeakPolarHBondContact NE2-CD2 3.28Å; H69-F80 AromaticContact NE2-CG 3.5Å; H69-F80 PolarHBondContact O-N 2.88Å; V71-F80 HydrophobicContact CB-CE2 4.22Å; V71-F80 HydrophobicContact CG2-CD2 4.41Å; V71-F80 HydrophobicContact CG2-CE2 4.45Å; Y78-F80 HydrophobicContact CG-CE2 4.48Å; Y78-F80 HydrophobicContact CG-CZ 4.42Å; F80-L83 HydrophobicContact CD1-CB 3.9Å; F80-L83 HydrophobicContact CD1-CD1 4.33Å; F80-I87 HydrophobicContact CD1-CG2 4.33Å; F80-I87 HydrophobicContact CE1-CG2 3.54Å; F80-I87 HydrophobicContact CZ-CG2 3.98Å; F80-I88 HydrophobicContact CZ-CB 4.38Å; F80-I88 HydrophobicContact CZ-CD1 4.25Å; F80-E110 WeakPolarHBondContact CA-OE1 3.17Å; F80-L121 HydrophobicContact CE1-CD1 3.88Å; F80-L121 HydrophobicContact CZ-CD1 3.96Å
81	H	87.6	Confident	84.2	Confident	46 Å²	46	45.1 Å²	45.1	21%	0.213	25%	0.247	C	C	.	.	S	Bend	trans	-121.6	-60	177.8	-62.1	75.8	0	0	0	110.1	R60 N65 A67 E110	R60-H81 PolarHBondContact NE-O 3.03Å; R60-H81 PolarHBondContact NH2-O 3.33Å; N65-H81 HydrophobicContact CB-CB 4.23Å; A67-H81 WeakPolarHBondContact O-CA 3.32Å; A67-H81 WeakPolarHBondContact O-CB 3.45Å; H81-E110 WeakPolarHBondContact CB-OE2 3.31Å; H81-E110 PolarHBondContact N-OE1 2.88Å; H81-E110 PolarHBondContact N-OE2 3.03Å
82	L	90.3	Very high	84.9	Confident	2 Å²	2	45 Å²	45	1%	0.01	25%	0.246	C	C	.	.	S	Bend	trans	-97.5	-36.6	179.8	-155.4	71	0	0	0	111.9	R60 I96 V100 I102 L107 E110	R60-L82 WeakPolarHBondContact CD-O 3.38Å; R60-L82 PolarHBondContact NE-O 2.82Å; R60-L82 VanDerWaalsContact NE-O 3.07Å; L82-I96 HydrophobicContact CG-CD1 4.34Å; L82-V100 HydrophobicContact CD1-CG1 3.73Å; L82-I102 HydrophobicContact CD2-CB 4.07Å; L82-I102 HydrophobicContact CD2-CG1 4.12Å; L82-I102 HydrophobicContact CD2-CG2 3.69Å; L82-L107 HydrophobicContact CB-CD1 4.29Å; L82-L107 HydrophobicContact CD2-CB 3.96Å; L82-L107 HydrophobicContact CD2-CD1 4.08Å; L82-L107 HydrophobicContact CD2-CD2 4.49Å; L82-L107 HydrophobicContact CD2-CG 4.38Å; L82-E110 PolarHBondContact N-OE1 3.41Å; L82-E110 PolarHBondContact N-OE2 2.86Å
83	L	91.5	Very high	85.8	Confident	0 Å²	0	44 Å²	44	0%	0	24%	0.24	C	C	.	.	S	Bend	trans	-64.4	136.7	175.8	-65.2	171.6	0	0	0	109.7	R60 F80 I87 L107 E110 A111 L121 L128	R60-L83 PolarHBondContact NE-O 2.77Å; R60-L83 PolarHBondContact NH2-O 2.73Å; F80-L83 HydrophobicContact CD1-CB 3.9Å; F80-L83 HydrophobicContact CD1-CD1 4.33Å; L83-I87 HydrophobicContact CD2-CD1 4.18Å; L83-L107 HydrophobicContact CD2-CD1 3.56Å; L83-L107 HydrophobicContact CG-CD1 3.92Å; L83-E110 VanDerWaalsContact CB-OE1 3.3Å; L83-E110 WeakPolarHBondContact CB-OE1 3.37Å; L83-E110 HydrophobicContact CD1-CG 4.27Å; L83-E110 PolarHBondContact N-OE1 3.36Å; L83-E110 VanDerWaalsContact N-OE1 3.08Å; L83-A111 HydrophobicContact CD1-CB 4.05Å; L83-L121 HydrophobicContact CD1-CD2 4.15Å; L83-L128 HydrophobicContact CD2-CD1 4.08Å; L83-L128 HydrophobicContact CD2-CD2 3.65Å; L83-L128 HydrophobicContact CD2-CG 4.47Å
84	P	91.7	Very high	86.9	Confident	0 Å²	0	42.4 Å²	42.4	0%	0	23%	0.23	C	C	.	.			trans	-62.2	135.2	169.1	-20.3	31.4	0	0	0	110.9	V58 R60 G86 I87 A94	V58-P84 HydrophobicContact CB-CB 4.36Å; V58-P84 HydrophobicContact CG1-CB 3.92Å; R60-P84 HydrophobicContact CG-CB 4.44Å; R60-P84 HydrophobicContact CG-CG 4.2Å; P84-G86 PolarHBondContact O-N 3.07Å; P84-G86 VanDerWaalsContact O-N 3.1Å; P84-I87 WeakPolarHBondContact O-CB 3.29Å; P84-I87 WeakPolarHBondContact O-CG2 3.49Å; P84-I87 PolarHBondContact O-N 2.86Å; P84-I87 VanDerWaalsContact O-N 3.09Å; P84-A94 HydrophobicContact CB-CB 4.39Å; P84-A94 HydrophobicContact CG-CB 4.01Å
85	S	88.3	Confident	88	Confident	0 Å²	0	35.2 Å²	35.2	0%	0	19%	0.192	C	C	.	.	G	3₁₀ helix	trans	-51.4	-39.5	-177.5	15	0	0	0	0	112.8	V48 H69 I87 I88 E253	V48-S85 WeakPolarHBondContact CG1-OG 3.46Å; H69-S85 VanDerWaalsContact CE1-CB 3.45Å; H69-S85 WeakPolarHBondContact CE1-CB 3.22Å; H69-S85 PolarHBondContact CE1-N 3.38Å; H69-S85 PolarHBondContact CE1-OG 3Å; H69-S85 WeakPolarHBondContact NE2-CA 3.49Å; H69-S85 WeakPolarHBondContact NE2-CB 3.4Å; H69-S85 PolarHBondContact NE2-N 3.26Å; H69-S85 PolarHBondContact NE2-OG 3.09Å; S85-I87 PolarHBondContact O-N 3.03Å; S85-I88 WeakPolarHBondContact O-CG2 3.23Å; S85-I88 PolarHBondContact O-N 3.21Å; S85-E253 PolarHBondContact N-OE2 3.06Å; S85-E253 VanDerWaalsContact N-OE2 3.14Å; S85-E253 PolarHBondContact OG-OE2 3.13Å
86	G	86.6	Confident	89	Confident	0 Å²	0	29.4 Å²	29.4	0%	0	15%	0.151	C	C	.	.	G	3₁₀ helix	trans	-61.5	-12.7	-175.1	0	0	0	0	0	114.5	P84 I88 N89 V92	P84-G86 PolarHBondContact O-N 3.07Å; P84-G86 VanDerWaalsContact O-N 3.1Å; G86-I88 PolarHBondContact O-N 2.93Å; G86-N89 WeakPolarHBondContact O-CB 3.45Å; G86-N89 PolarHBondContact O-N 3.16Å; G86-V92 WeakPolarHBondContact O-CB 3.4Å; G86-V92 WeakPolarHBondContact O-CG1 3.46Å
87	I	88.7	Confident	89.7	Confident	0 Å²	0	27.3 Å²	27.3	0%	0	14%	0.139	C	C	.	.	G	3₁₀ helix	trans	-58.9	-19.7	176.4	-157.3	166.3	0	0	0	112.9	F80 L83 P84 S85 N89 A94 W124 R127 L128	F80-I87 HydrophobicContact CD1-CG2 4.33Å; F80-I87 HydrophobicContact CE1-CG2 3.54Å; F80-I87 HydrophobicContact CZ-CG2 3.98Å; L83-I87 HydrophobicContact CD2-CD1 4.18Å; P84-I87 WeakPolarHBondContact O-CB 3.29Å; P84-I87 WeakPolarHBondContact O-CG2 3.49Å; P84-I87 PolarHBondContact O-N 2.86Å; P84-I87 VanDerWaalsContact O-N 3.09Å; S85-I87 PolarHBondContact O-N 3.03Å; I87-N89 PolarHBondContact O-N 3.26Å; I87-A94 HydrophobicContact CB-CB 4.09Å; I87-A94 HydrophobicContact CD1-CB 3.92Å; I87-A94 HydrophobicContact CG1-CB 4.01Å; I87-W124 HydrophobicContact CD1-CB 3.8Å; I87-W124 HydrophobicContact CG1-CB 4.27Å; I87-R127 PolarHBondContact O-NH1 3.05Å; I87-R127 PolarHBondContact O-NH2 3.34Å; I87-L128 HydrophobicContact CD1-CB 4.41Å
88	I	86.3	Confident	90.4	Very high	18 Å²	18	23.1 Å²	23.1	9%	0.092	12%	0.12	C	C	.	.	G	3₁₀ helix	trans	-62.2	-28.9	173.5	-157.1	68.5	0	0	0	112.8	V73 Y78 F80 S85 G86 P90 L121	V73-I88 HydrophobicContact CB-CG1 4.33Å; V73-I88 HydrophobicContact CG2-CG1 3.69Å; V73-I88 HydrophobicContact CG2-CG2 4.44Å; Y78-I88 HydrophobicContact CD1-CD1 4.09Å; Y78-I88 HydrophobicContact CD2-CD1 3.58Å; Y78-I88 HydrophobicContact CD2-CG1 4.49Å; Y78-I88 HydrophobicContact CE1-CD1 4.1Å; Y78-I88 HydrophobicContact CE2-CD1 3.6Å; Y78-I88 HydrophobicContact CG-CD1 3.83Å; F80-I88 HydrophobicContact CZ-CB 4.38Å; F80-I88 HydrophobicContact CZ-CD1 4.25Å; S85-I88 WeakPolarHBondContact O-CG2 3.23Å; S85-I88 PolarHBondContact O-N 3.21Å; G86-I88 PolarHBondContact O-N 2.93Å; I88-P90 WeakPolarHBondContact O-CD 3.31Å; I88-L121 HydrophobicContact CD1-CD1 4.2Å
89	N	87.1	Confident	90.8	Very high	27 Å²	27	22.8 Å²	22.8	14%	0.144	12%	0.119	C	C	.	.	S	Bend	trans	-81.3	117.9	172.6	-176.8	-11.3	0	0	0	108.3	A52 Q53 G86 I87 K91 V92 R127	A52-N89 PolarHBondContact O-ND2 3.36Å; Q53-N89 PolarHBondContact O-ND2 2.88Å; G86-N89 WeakPolarHBondContact O-CB 3.45Å; G86-N89 PolarHBondContact O-N 3.16Å; I87-N89 PolarHBondContact O-N 3.26Å; N89-K91 PolarHBondContact O-N 3.12Å; N89-K91 VanDerWaalsContact O-N 3.08Å; N89-K91 PolarHBondContact OD1-N 3.44Å; N89-K91 VanDerWaalsContact OD1-N 3.13Å; N89-V92 HydrophobicContact CB-CB 4.14Å; N89-V92 HydrophobicContact CB-CG2 3.69Å; N89-V92 PolarHBondContact O-N 3.21Å; N89-R127 PolarHBondContact O-NH1 3.46Å; N89-R127 VanDerWaalsContact O-NH1 3.16Å
90	P	86.6	Confident	91.3	Very high	97 Å²	97	21.4 Å²	21.4	63%	0.63	11%	0.111	S	C	*	.	T	Hydrogen-bonded Turn	trans	-64.7	-17	-176.1	26.2	-35.2	0	0	0	113.4	I88 R127	I88-P90 WeakPolarHBondContact O-CD 3.31Å; P90-R127 VanDerWaalsContact O-CD 3.27Å; P90-R127 WeakPolarHBondContact O-CD 3.41Å
91	K	88.8	Confident	91.7	Very high	180 Å²	180	21.4 Å²	21.4	78%	0.783	11%	0.111	S	C	*	.	T	Hydrogen-bonded Turn	trans	-84.5	-18.6	177	-61.4	179.7	-178.5	176	0	113.3	N89	N89-K91 PolarHBondContact O-N 3.12Å; N89-K91 VanDerWaalsContact O-N 3.08Å; N89-K91 PolarHBondContact OD1-N 3.44Å; N89-K91 VanDerWaalsContact OD1-N 3.13Å
92	V	92.9	Very high	92.1	Very high	0 Å²	0	19.2 Å²	19.2	0%	0	10%	0.101	C	C	.	.	P	Polyproline II helix	trans	-80	135.9	-175.6	165	0	0	0	0	110.8	A55 V58 G86 N89 R127	A55-V92 HydrophobicContact CB-CG2 4.5Å; A55-V92 WeakPolarHBondContact O-CG2 3.2Å; V58-V92 HydrophobicContact CB-CG1 3.94Å; V58-V92 HydrophobicContact CG2-CG1 3.63Å; V58-V92 HydrophobicContact CG2-CG2 4.35Å; G86-V92 WeakPolarHBondContact O-CB 3.4Å; G86-V92 WeakPolarHBondContact O-CG1 3.46Å; N89-V92 HydrophobicContact CB-CB 4.14Å; N89-V92 HydrophobicContact CB-CG2 3.69Å; N89-V92 PolarHBondContact O-N 3.21Å; V92-R127 PolarHBondContact O-NH1 3.24Å; V92-R127 VanDerWaalsContact O-NH1 3.13Å
93	T	94.6	Very high	92.3	Very high	50 Å²	50	19.8 Å²	19.8	31%	0.307	10%	0.104	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.4	121.9	163.1	-53.9	0	0	0	0	109.4	D56 M57 V58 R127 I129 F238	D56-T93 PolarHBondContact O-N 2.9Å; M57-T93 VanDerWaalsContact CA-O 3.28Å; M57-T93 WeakPolarHBondContact CA-O 3.07Å; V58-T93 PolarHBondContact N-O 3.21Å; T93-R127 WeakPolarHBondContact CG2-O 3.47Å; T93-I129 HydrophobicContact CG2-CG1 4Å; T93-F238 HydrophobicContact CG2-CZ 4.08Å
94	A	95.4	Very high	92.4	Very high	0 Å²	0	19.8 Å²	19.8	0%	0	10%	0.104	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.1	135.3	178.1	0	0	0	0	0	109.9	V58 P84 I87 R127 L128 I129	V58-A94 CarbonylContact O-C 3.49Å; V58-A94 WeakPolarHBondContact O-CA 3.43Å; P84-A94 HydrophobicContact CB-CB 4.39Å; P84-A94 HydrophobicContact CG-CB 4.01Å; I87-A94 HydrophobicContact CB-CB 4.09Å; I87-A94 HydrophobicContact CD1-CB 3.92Å; I87-A94 HydrophobicContact CG1-CB 4.01Å; A94-R127 PolarHBondContact N-O 2.77Å; A94-L128 HydrophobicContact CB-CD1 3.87Å; A94-I129 PolarHBondContact O-N 3.43Å
95	F	96.4	Very high	92.4	Very high	1 Å²	1	20.8 Å²	20.8	0%	0.004	11%	0.11	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.9	129.6	179.6	179.7	-119.9	0	0	0	112.9	M57 V58 C59 R60 I129 F238 M239 L285	M57-F95 HydrophobicContact CE-CB 3.35Å; M57-F95 HydrophobicContact CE-CD1 3.73Å; M57-F95 HydrophobicContact CE-CD2 4.42Å; M57-F95 HydrophobicContact CE-CG 3.59Å; V58-F95 PolarHBondContact O-N 3.48Å; C59-F95 CarbonylContact C-O 3.33Å; C59-F95 VanDerWaalsContact CA-O 3.23Å; C59-F95 WeakPolarHBondContact CA-O 3.48Å; C59-F95 HydrophobicContact CB-CB 4.47Å; C59-F95 HydrophobicContact CB-CD1 4.29Å; R60-F95 PolarHBondContact N-O 3.39Å; F95-I129 CarbonylContact C-O 3.58Å; F95-I129 VanDerWaalsContact CA-O 3.3Å; F95-I129 WeakPolarHBondContact CA-O 3.33Å; F95-I129 HydrophobicContact CD2-CB 3.95Å; F95-I129 HydrophobicContact CD2-CG2 3.8Å; F95-I129 WeakPolarHBondContact CD2-O 3.48Å; F95-I129 HydrophobicContact CE2-CG2 4.08Å; F95-F238 HydrophobicContact CB-CE1 4.21Å; F95-F238 AromaticContact CD2-CD1 3.66Å; F95-F238 HydrophobicContact CD2-CD1 3.66Å; F95-F238 AromaticContact CD2-CE1 3.69Å; F95-F238 HydrophobicContact CD2-CE1 3.69Å; F95-F238 AromaticContact CE2-CD1 3.7Å; F95-F238 HydrophobicContact CE2-CD1 3.7Å; F95-F238 HydrophobicContact CE2-CE1 4.22Å; F95-F238 HydrophobicContact CG-CD1 4.16Å; F95-F238 AromaticContact CG-CE1 3.98Å; F95-F238 HydrophobicContact CG-CE1 3.98Å; F95-F238 HydrophobicContact CZ-CD1 4.22Å; F95-M239 HydrophobicContact CD1-CE 3.56Å; F95-M239 HydrophobicContact CE1-CE 3.62Å; F95-L285 HydrophobicContact CD1-CD2 3.95Å; F95-L285 HydrophobicContact CE1-CD2 3.77Å
96	I	96.8	Very high	92.5	Very high	0 Å²	0	21.4 Å²	21.4	0%	0	12%	0.117	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.7	111.6	172.3	-60.7	179.2	0	0	0	108.3	L82 V100 I102 L107 L128 I129 I130 S131	L82-I96 HydrophobicContact CG-CD1 4.34Å; I96-V100 HydrophobicContact CG2-CB 3.68Å; I96-V100 HydrophobicContact CG2-CG1 3.74Å; I96-V100 HydrophobicContact CG2-CG2 3.9Å; I96-I102 HydrophobicContact CG2-CD1 3.72Å; I96-I102 HydrophobicContact CG2-CG1 4.12Å; I96-L107 HydrophobicContact CD1-CD1 4.39Å; I96-L128 HydrophobicContact CD1-CD1 4.04Å; I96-L128 HydrophobicContact CG1-CD1 4.08Å; I96-I129 PolarHBondContact N-O 3.14Å; I96-I130 HydrophobicContact CB-CG1 4.41Å; I96-I130 HydrophobicContact CD1-CG1 4.29Å; I96-S131 VanDerWaalsContact O-CB 3.29Å; I96-S131 WeakPolarHBondContact O-CB 3.28Å; I96-S131 PolarHBondContact O-N 2.78Å
97	G	96.3	Very high	92.8	Very high	0 Å²	0	21.4 Å²	21.4	0%	0	12%	0.117	C	C	.	.			trans	-72.1	168.5	-177.7	0	0	0	0	0	114.3	R60 G99 V100 G284	R60-G97 WeakPolarHBondContact O-CA 3.41Å; R60-G97 PolarHBondContact O-N 2.86Å; G97-G99 PolarHBondContact O-N 3.03Å; G97-V100 PolarHBondContact O-N 2.91Å; G97-G284 CarbonylContact C-O 3.51Å; G97-G284 WeakPolarHBondContact CA-O 2.97Å
98	N	95.7	Very high	92.9	Very high	27 Å²	27	21.6 Å²	21.6	14%	0.144	12%	0.118	C	C	.	.	T	Hydrogen-bonded Turn	trans	-68.3	-19	-179.1	63.1	-93.1	0	0	0	114	V100 S131 R133 T283 G284	N98-V100 VanDerWaalsContact C-N 3.27Å; N98-S131 WeakPolarHBondContact CB-OG 2.96Å; N98-R133 HydrophobicContact CB-CB 3.66Å; N98-T283 PolarHBondContact ND2-O 3.47Å; N98-G284 PolarHBondContact N-O 3.04Å; N98-G284 PolarHBondContact OD1-O 2.82Å
99	G	93.8	Very high	93.2	Very high	0 Å²	0	26.8 Å²	26.8	0%	0	14%	0.141	C	C	.	.	T	Hydrogen-bonded Turn	trans	-76.3	-15.4	177.6	0	0	0	0	0	113.5	C61 Q62 G97 Y171 G284	C61-G99 CarbonylContact O-C 3.57Å; C61-G99 WeakPolarHBondContact O-CA 3.28Å; C61-G99 PolarHBondContact O-N 3.36Å; Q62-G99 PolarHBondContact OE1-O 3.25Å; Q62-G99 VanDerWaalsContact OE1-O 3.11Å; G97-G99 PolarHBondContact O-N 3.03Å; G99-Y171 PolarHBondContact O-OH 3.46Å; G99-G284 PolarHBondContact N-O 3.37Å; G99-G284 VanDerWaalsContact N-O 3.16Å
100	V	95.7	Very high	93.4	Very high	1 Å²	1	26.1 Å²	26.1	1%	0.006	14%	0.138	C	C	.	.	B	Isolated β-bridge	trans	-78.4	144.1	-179.4	-177.4	0	0	0	0	111.3	R60 G63 L82 I96 G97 N98 I102 H135	R60-V100 HydrophobicContact CB-CG2 4.11Å; G63-V100 WeakPolarHBondContact O-CA 3.45Å; G63-V100 WeakPolarHBondContact O-CG1 3.16Å; L82-V100 HydrophobicContact CD1-CG1 3.73Å; I96-V100 HydrophobicContact CG2-CB 3.68Å; I96-V100 HydrophobicContact CG2-CG1 3.74Å; I96-V100 HydrophobicContact CG2-CG2 3.9Å; G97-V100 PolarHBondContact O-N 2.91Å; N98-V100 VanDerWaalsContact C-N 3.27Å; V100-I102 HydrophobicContact CG1-CG1 4.08Å; V100-H135 PolarHBondContact O-N 2.88Å
101	V	95.1	Very high	93.5	Very high	1 Å²	1	21.5 Å²	21.5	1%	0.006	11%	0.108	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.7	124.1	167.5	-57.4	0	0	0	0	109.5	G63 G64 H135 V137 I167 V170 Y171	G63-V101 WeakPolarHBondContact O-CG2 3.48Å; G63-V101 PolarHBondContact O-N 2.76Å; G64-V101 WeakPolarHBondContact CA-O 3.45Å; V101-H135 CarbonylContact C-O 3.48Å; V101-H135 WeakPolarHBondContact CA-O 3.13Å; V101-H135 HydrophobicContact CG1-CB 4.25Å; V101-V137 HydrophobicContact CB-CG2 3.74Å; V101-V137 HydrophobicContact CG2-CG2 3.8Å; V101-I167 HydrophobicContact CG2-CD1 3.6Å; V101-I167 HydrophobicContact CG2-CG2 4.15Å; V101-V170 HydrophobicContact CB-CB 4.48Å; V101-V170 HydrophobicContact CB-CG1 3.9Å; V101-V170 HydrophobicContact CG1-CB 4.28Å; V101-V170 HydrophobicContact CG1-CG1 3.56Å; V101-Y171 HydrophobicContact CG1-CD2 4.07Å; V101-Y171 HydrophobicContact CG1-CE1 4.27Å; V101-Y171 HydrophobicContact CG1-CE2 3.75Å; V101-Y171 HydrophobicContact CG1-CG 4.47Å; V101-Y171 HydrophobicContact CG2-CE2 4.07Å
102	I	95.2	Very high	93.5	Very high	0 Å²	0	17.5 Å²	17.5	0%	0	9%	0.092	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.8	117	-167.1	-59.9	177.5	0	0	0	110	L82 I96 V100 L104 L107 I130 A134 H135 I136 V137 I182	L82-I102 HydrophobicContact CD2-CB 4.07Å; L82-I102 HydrophobicContact CD2-CG1 4.12Å; L82-I102 HydrophobicContact CD2-CG2 3.69Å; I96-I102 HydrophobicContact CG2-CD1 3.72Å; I96-I102 HydrophobicContact CG2-CG1 4.12Å; V100-I102 HydrophobicContact CG1-CG1 4.08Å; I102-L104 HydrophobicContact CG2-CD2 3.89Å; I102-L104 HydrophobicContact CG2-CG 4.43Å; I102-L107 HydrophobicContact CG2-CD2 4.21Å; I102-I130 HydrophobicContact CD1-CG2 3.53Å; I102-A134 HydrophobicContact CD1-CB 3.55Å; I102-A134 HydrophobicContact CG1-CB 4.16Å; I102-H135 PolarHBondContact N-O 3.23Å; I102-I136 CarbonylContact O-C 3.52Å; I102-I136 WeakPolarHBondContact O-CA 3.3Å; I102-V137 PolarHBondContact O-N 2.97Å; I102-I182 HydrophobicContact CD1-CD1 4.34Å; I102-I182 HydrophobicContact CD1-CG1 4.32Å
103	H	94.8	Very high	93.3	Very high	14 Å²	14	23.4 Å²	23.4	7%	0.065	12%	0.117	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.1	108.5	164.1	-175	-122.8	0	0	0	108.5	G106 L107 V137 D139 Q142	H103-G106 PolarHBondContact ND1-N 3.48Å; H103-G106 PolarHBondContact O-N 3.45Å; H103-L107 PolarHBondContact O-N 3.03Å; H103-V137 HydrophobicContact CB-CB 3.88Å; H103-V137 HydrophobicContact CB-CG1 4.31Å; H103-V137 HydrophobicContact CB-CG2 4.44Å; H103-V137 PolarHBondContact CD2-O 3.25Å; H103-D139 IonicContact CD2-OD1 3.76Å; H103-D139 IonicContact CE1-OD1 2.71Å; H103-D139 IonicContact NE2-OD1 3.99Å; H103-D139 PolarHBondContact NE2-OD1 3.13Å; H103-Q142 PolarHBondContact CD2-NE2 3.25Å; H103-Q142 PolarHBondContact CE1-NE2 3.39Å; H103-Q142 VanDerWaalsContact CE1-NE2 3.33Å; H103-Q142 PolarHBondContact ND1-NE2 3.18Å; H103-Q142 PolarHBondContact NE2-NE2 3.38Å
104	L	93.3	Very high	93	Very high	0 Å²	0	21 Å²	21	0%	0	10%	0.103	C	C	.	.	H	α-helix	trans	-61.4	-48.5	-173.9	-69.6	172.9	0	0	0	113.1	I102 G106 L107 F108 I136 I182 L185 L221 Y224 L228	I102-L104 HydrophobicContact CG2-CD2 3.89Å; I102-L104 HydrophobicContact CG2-CG 4.43Å; L104-G106 VanDerWaalsContact C-N 3.33Å; L104-G106 PolarHBondContact O-N 2.88Å; L104-L107 PolarHBondContact O-N 3.27Å; L104-F108 WeakPolarHBondContact O-CD2 3.29Å; L104-F108 PolarHBondContact O-N 2.99Å; L104-I136 HydrophobicContact CD1-CG2 4.37Å; L104-I136 HydrophobicContact CG-CG2 4.48Å; L104-I182 HydrophobicContact CD2-CD1 4.15Å; L104-L185 HydrophobicContact CD1-CD2 3.55Å; L104-L221 HydrophobicContact CD1-CD2 3.82Å; L104-Y224 HydrophobicContact CB-CD2 4.37Å; L104-L228 HydrophobicContact CD1-CD2 4.43Å; L104-L228 HydrophobicContact CD2-CD1 4.11Å; L104-L228 HydrophobicContact CD2-CD2 3.97Å
105	P	92.1	Very high	92.5	Very high	20 Å²	20	26 Å²	26	13%	0.13	13%	0.126	C	C	.	.	H	α-helix	trans	-56.9	-47	175.4	-22.2	32	0	0	0	111.9	L107 F108 E109 Y224	P105-L107 VanDerWaalsContact C-N 3.32Å; P105-L107 PolarHBondContact O-N 2.76Å; P105-F108 PolarHBondContact O-N 2.91Å; P105-E109 WeakPolarHBondContact O-CB 3.22Å; P105-E109 WeakPolarHBondContact O-CG 3.34Å; P105-E109 PolarHBondContact O-N 3.16Å; P105-Y224 HydrophobicContact CG-CE2 4.07Å
106	G	91	Very high	91.9	Very high	14 Å²	14	29.3 Å²	29.3	14%	0.144	16%	0.161	C	C	.	.	H	α-helix	trans	-62.1	-34.9	179.4	0	0	0	0	0	114	H103 L104 E110	H103-G106 PolarHBondContact ND1-N 3.48Å; H103-G106 PolarHBondContact O-N 3.45Å; L104-G106 VanDerWaalsContact C-N 3.33Å; L104-G106 PolarHBondContact O-N 2.88Å; G106-E110 WeakPolarHBondContact O-CB 3.45Å; G106-E110 PolarHBondContact O-N 2.84Å
107	L	92.6	Very high	91.3	Very high	0 Å²	0	32.5 Å²	32.5	0%	0	18%	0.175	C	C	.	.	H	α-helix	trans	-64	-47	175.2	174.5	61.7	0	0	0	111.7	L82 L83 I96 I102 H103 L104 P105 A111 L128 I130	L82-L107 HydrophobicContact CB-CD1 4.29Å; L82-L107 HydrophobicContact CD2-CB 3.96Å; L82-L107 HydrophobicContact CD2-CD1 4.08Å; L82-L107 HydrophobicContact CD2-CD2 4.49Å; L82-L107 HydrophobicContact CD2-CG 4.38Å; L83-L107 HydrophobicContact CD2-CD1 3.56Å; L83-L107 HydrophobicContact CG-CD1 3.92Å; I96-L107 HydrophobicContact CD1-CD1 4.39Å; I102-L107 HydrophobicContact CG2-CD2 4.21Å; H103-L107 PolarHBondContact O-N 3.03Å; L104-L107 PolarHBondContact O-N 3.27Å; P105-L107 VanDerWaalsContact C-N 3.32Å; P105-L107 PolarHBondContact O-N 2.76Å; L107-A111 WeakPolarHBondContact O-CB 3.46Å; L107-A111 PolarHBondContact O-N 2.7Å; L107-A111 VanDerWaalsContact O-N 3.08Å; L107-L128 HydrophobicContact CD1-CD2 4.4Å; L107-I130 HydrophobicContact CD2-CD1 3.86Å
108	F	91.6	Very high	90.2	Very high	3 Å²	3	33.8 Å²	33.8	1%	0.013	19%	0.188	C	C	.	.	H	α-helix	trans	-72.5	-40	-179.3	-72.2	-70	0	0	0	112.1	L104 P105 E110 A111 E112 W124 Y224 R227 M231	L104-F108 WeakPolarHBondContact O-CD2 3.29Å; L104-F108 PolarHBondContact O-N 2.99Å; P105-F108 PolarHBondContact O-N 2.91Å; F108-E110 VanDerWaalsContact C-N 3.32Å; F108-E110 PolarHBondContact O-N 2.87Å; F108-A111 PolarHBondContact O-N 2.94Å; F108-E112 WeakPolarHBondContact O-CB 3.37Å; F108-E112 VanDerWaalsContact O-CG 3.31Å; F108-E112 WeakPolarHBondContact O-CG 3.45Å; F108-E112 PolarHBondContact O-N 3.48Å; F108-W124 AromaticContact CD1-CH2 3.94Å; F108-W124 HydrophobicContact CD1-CH2 3.94Å; F108-W124 HydrophobicContact CD1-CZ2 4.5Å; F108-W124 HydrophobicContact CE1-CH2 4.06Å; F108-Y224 HydrophobicContact CB-CE1 4.22Å; F108-Y224 AromaticContact CD2-CD1 3.24Å; F108-Y224 HydrophobicContact CD2-CD1 3.24Å; F108-Y224 AromaticContact CD2-CE1 3.34Å; F108-Y224 HydrophobicContact CD2-CE1 3.34Å; F108-Y224 HydrophobicContact CD2-CG 4.16Å; F108-Y224 AromaticContact CE2-CD1 3.3Å; F108-Y224 HydrophobicContact CE2-CD1 3.3Å; F108-Y224 AromaticContact CE2-CE1 3.93Å; F108-Y224 HydrophobicContact CE2-CE1 3.93Å; F108-Y224 AromaticContact CE2-CG 3.96Å; F108-Y224 HydrophobicContact CE2-CG 3.96Å; F108-Y224 HydrophobicContact CG-CD1 4.15Å; F108-Y224 AromaticContact CG-CE1 3.97Å; F108-Y224 HydrophobicContact CG-CE1 3.97Å; F108-Y224 HydrophobicContact CZ-CD1 4.21Å; F108-R227 HydrophobicContact CE1-CB 4.04Å; F108-R227 HydrophobicContact CZ-CB 3.86Å; F108-M231 HydrophobicContact CE1-CE 3.89Å; F108-M231 HydrophobicContact CZ-CE 4Å
109	E	91.4	Very high	89.1	Confident	127 Å²	127	41.6 Å²	41.6	59%	0.593	22%	0.221	S	C	*	.	H	α-helix	trans	-59.4	-42.7	173.2	-75.2	176.1	-171.5	0	0	111.8	P105 K113	P105-E109 WeakPolarHBondContact O-CB 3.22Å; P105-E109 WeakPolarHBondContact O-CG 3.34Å; P105-E109 PolarHBondContact O-N 3.16Å; E109-K113 WeakPolarHBondContact O-CB 3.32Å; E109-K113 PolarHBondContact O-N 3.47Å
110	E	90.8	Very high	87.8	Confident	14 Å²	14	42.6 Å²	42.6	7%	0.065	23%	0.23	C	C	.	.	H	α-helix	trans	-60.6	-46.3	175	178.6	-173.3	156.7	0	0	111.4	F80 H81 L82 L83 G106 F108 N114	F80-E110 WeakPolarHBondContact CA-OE1 3.17Å; H81-E110 WeakPolarHBondContact CB-OE2 3.31Å; H81-E110 PolarHBondContact N-OE1 2.88Å; H81-E110 PolarHBondContact N-OE2 3.03Å; L82-E110 PolarHBondContact N-OE1 3.41Å; L82-E110 PolarHBondContact N-OE2 2.86Å; L83-E110 VanDerWaalsContact CB-OE1 3.3Å; L83-E110 WeakPolarHBondContact CB-OE1 3.37Å; L83-E110 HydrophobicContact CD1-CG 4.27Å; L83-E110 PolarHBondContact N-OE1 3.36Å; L83-E110 VanDerWaalsContact N-OE1 3.08Å; G106-E110 WeakPolarHBondContact O-CB 3.45Å; G106-E110 PolarHBondContact O-N 2.84Å; F108-E110 VanDerWaalsContact C-N 3.32Å; F108-E110 PolarHBondContact O-N 2.87Å; E110-N114 WeakPolarHBondContact O-CB 3.23Å; E110-N114 PolarHBondContact O-N 2.77Å; E110-N114 PolarHBondContact O-ND2 2.81Å; E110-N114 VanDerWaalsContact O-ND2 3.16Å
111	A	89	Confident	86.9	Confident	0 Å²	0	42.6 Å²	42.6	0%	0	23%	0.23	C	C	.	.	H	α-helix	trans	-64.8	-46	-179.7	0	0	0	0	0	111.9	L83 L107 F108 N114 Q115 W124	L83-A111 HydrophobicContact CD1-CB 4.05Å; L107-A111 WeakPolarHBondContact O-CB 3.46Å; L107-A111 PolarHBondContact O-N 2.7Å; L107-A111 VanDerWaalsContact O-N 3.08Å; F108-A111 PolarHBondContact O-N 2.94Å; A111-N114 PolarHBondContact O-N 3.36Å; A111-Q115 VanDerWaalsContact O-CB 3.27Å; A111-Q115 WeakPolarHBondContact O-CB 3.4Å; A111-Q115 PolarHBondContact O-N 2.88Å; A111-W124 HydrophobicContact CB-CD2 4.01Å; A111-W124 HydrophobicContact CB-CE3 4.19Å; A111-W124 HydrophobicContact CB-CH2 3.5Å; A111-W124 HydrophobicContact CB-CZ2 3.28Å; A111-W124 HydrophobicContact CB-CZ3 3.96Å
112	E	89.5	Confident	85.8	Confident	95 Å²	95	46.4 Å²	46.4	44%	0.444	25%	0.254	S	S	.	.	H	α-helix	trans	-65.2	-42.4	179.2	-71.8	170.8	-165.2	0	0	111.4	F108 N114 Q115 G116 R227	F108-E112 WeakPolarHBondContact O-CB 3.37Å; F108-E112 VanDerWaalsContact O-CG 3.31Å; F108-E112 WeakPolarHBondContact O-CG 3.45Å; F108-E112 PolarHBondContact O-N 3.48Å; E112-N114 PolarHBondContact O-N 3.01Å; E112-Q115 PolarHBondContact O-N 3.36Å; E112-G116 PolarHBondContact O-N 3.19Å; E112-R227 IonicContact OE1-CZ 2.75Å; E112-R227 IonicContact OE1-NH1 3.78Å; E112-R227 PolarHBondContact OE1-NH1 3.45Å; E112-R227 IonicContact OE1-NH2 3.11Å; E112-R227 PolarHBondContact OE1-NH2 2.9Å
113	K	88.9	Confident	85.2	Confident	125 Å²	125	50.1 Å²	50.1	54%	0.543	27%	0.274	S	S	.	.	H	α-helix	trans	-60	-46.1	174.9	-175.3	-176.2	-179.1	-170.6	0	111.5	E109 G116 K117	E109-K113 WeakPolarHBondContact O-CB 3.32Å; E109-K113 PolarHBondContact O-N 3.47Å; K113-G116 PolarHBondContact O-N 3.28Å; K113-K117 WeakPolarHBondContact O-CG 3.29Å; K113-K117 PolarHBondContact O-N 2.95Å
114	N	87	Confident	84.9	Confident	0 Å²	0	50 Å²	50	0%	0	27%	0.273	C	S	.	.	H	α-helix	trans	-72.5	-34.5	-179.2	-77.6	-39.7	0	0	0	112.4	Y78 D79 E110 A111 E112 G116 K117 L121	Y78-N114 HydrophobicContact CD1-CB 4.08Å; Y78-N114 WeakPolarHBondContact CE1-O 3.33Å; D79-N114 PolarHBondContact N-OD1 3.04Å; D79-N114 VanDerWaalsContact N-OD1 3.08Å; D79-N114 PolarHBondContact O-ND2 3.29Å; D79-N114 PolarHBondContact O-OD1 2.88Å; E110-N114 WeakPolarHBondContact O-CB 3.23Å; E110-N114 PolarHBondContact O-N 2.77Å; E110-N114 PolarHBondContact O-ND2 2.81Å; E110-N114 VanDerWaalsContact O-ND2 3.16Å; A111-N114 PolarHBondContact O-N 3.36Å; E112-N114 PolarHBondContact O-N 3.01Å; N114-G116 VanDerWaalsContact C-N 3.28Å; N114-G116 PolarHBondContact O-N 3.29Å; N114-K117 PolarHBondContact O-N 3.44Å; N114-L121 HydrophobicContact CB-CD1 3.73Å; N114-L121 HydrophobicContact CB-CD2 3.79Å; N114-L121 HydrophobicContact CB-CG 4.35Å
115	Q	86.5	Confident	84.5	Confident	103 Å²	103	53.5 Å²	53.5	48%	0.481	29%	0.292	S	S	.	.	H	α-helix	trans	-63	-35.6	173	-171.7	173.6	3.2	0	0	112	A111 E112 K117 L121	A111-Q115 VanDerWaalsContact O-CB 3.27Å; A111-Q115 WeakPolarHBondContact O-CB 3.4Å; A111-Q115 PolarHBondContact O-N 2.88Å; E112-Q115 PolarHBondContact O-N 3.36Å; Q115-K117 VanDerWaalsContact C-N 3.28Å; Q115-K117 PolarHBondContact O-N 3.18Å; Q115-L121 HydrophobicContact CB-CB 4.42Å
116	G	82.9	Confident	84.4	Confident	72 Å²	72	59.5 Å²	59.5	74%	0.742	32%	0.316	S	S	*	.	H	α-helix	trans	-68.8	-20.4	175.6	0	0	0	0	0	114.9	E112 K113 N114	E112-G116 PolarHBondContact O-N 3.19Å; K113-G116 PolarHBondContact O-N 3.28Å; N114-G116 VanDerWaalsContact C-N 3.28Å; N114-G116 PolarHBondContact O-N 3.29Å
117	K	83.6	Confident	84.5	Confident	67 Å²	67	60.3 Å²	60.3	29%	0.291	31%	0.314	S	S	.	.	H	α-helix	trans	-81.5	-27.5	-177.9	-70.9	176.7	174.5	-173.6	0	113.8	V76 E77 Y78 D79 K113 N114 Q115	V76-K117 HydrophobicContact CG1-CB 3.99Å; V76-K117 WeakPolarHBondContact CG1-O 3.48Å; E77-K117 VanDerWaalsContact O-CD 3.23Å; E77-K117 WeakPolarHBondContact O-CD 3.11Å; E77-K117 PolarHBondContact O-NZ 2.99Å; Y78-K117 HydrophobicContact CE1-CB 4.21Å; D79-K117 IonicContact OD2-NZ 2.77Å; D79-K117 PolarHBondContact OD2-NZ 3.48Å; K113-K117 WeakPolarHBondContact O-CG 3.29Å; K113-K117 PolarHBondContact O-N 2.95Å; N114-K117 PolarHBondContact O-N 3.44Å; Q115-K117 VanDerWaalsContact C-N 3.28Å; Q115-K117 PolarHBondContact O-N 3.18Å
118	G	74.6	Confident	84.6	Confident	27 Å²	27	60.3 Å²	60.3	28%	0.278	31%	0.314	S	S	.	.			trans	172.9	-174.5	-179.9	0	0	0	0	0	113.8	Y78 G120	Y78-G118 VanDerWaalsContact OH-C 3.25Å; Y78-G118 VanDerWaalsContact OH-CA 3.29Å; Y78-G118 WeakPolarHBondContact OH-CA 3.44Å; G118-G120 VanDerWaalsContact C-N 3.28Å; G118-G120 PolarHBondContact O-N 3.46Å
119	K	72.1	Confident	84.9	Confident	191 Å²	191	60.6 Å²	60.6	83%	0.83	32%	0.316	S	S	*	.	G	3₁₀ helix	trans	-77.3	-5.1	-172	-63.2	-176.7	-179.8	178.8	0	115.2	L121 T122	K119-L121 VanDerWaalsContact C-N 3.26Å; K119-L121 PolarHBondContact O-N 3.1Å; K119-T122 PolarHBondContact O-N 2.77Å; K119-T122 PolarHBondContact O-OG1 3.47Å
120	G	65.9	Low	85.1	Confident	20 Å²	20	54.6 Å²	54.6	21%	0.206	29%	0.288	C	S	.	.	G	3₁₀ helix	trans	-63.6	-22.3	-175.1	0	0	0	0	0	115.7	Y78 G118	Y78-G120 PolarHBondContact OH-N 2.86Å; G118-G120 VanDerWaalsContact C-N 3.28Å; G118-G120 PolarHBondContact O-N 3.46Å
121	L	76.9	Confident	85.5	Confident	1 Å²	1	53.9 Å²	53.9	1%	0.005	29%	0.285	C	S	.	.	G	3₁₀ helix	trans	-100.7	24.2	177.2	-94	85.6	0	0	0	114.1	Y78 F80 L83 I88 N114 Q115 K119 D123 W124	Y78-L121 HydrophobicContact CD1-CD1 3.89Å; Y78-L121 HydrophobicContact CE1-CD1 4.02Å; F80-L121 HydrophobicContact CE1-CD1 3.88Å; F80-L121 HydrophobicContact CZ-CD1 3.96Å; L83-L121 HydrophobicContact CD1-CD2 4.15Å; I88-L121 HydrophobicContact CD1-CD1 4.2Å; N114-L121 HydrophobicContact CB-CD1 3.73Å; N114-L121 HydrophobicContact CB-CD2 3.79Å; N114-L121 HydrophobicContact CB-CG 4.35Å; Q115-L121 HydrophobicContact CB-CB 4.42Å; K119-L121 VanDerWaalsContact C-N 3.26Å; K119-L121 PolarHBondContact O-N 3.1Å; L121-D123 PolarHBondContact O-N 3.49Å; L121-W124 HydrophobicContact CB-CB 4.37Å; L121-W124 HydrophobicContact CD2-CB 4.26Å; L121-W124 HydrophobicContact CD2-CG 4.18Å; L121-W124 HydrophobicContact CG-CB 4.35Å; L121-W124 VanDerWaalsContact O-CD1 3.25Å; L121-W124 PolarHBondContact O-N 3.1Å
122	T	73.3	Confident	85.8	Confident	81 Å²	81	55.4 Å²	55.4	50%	0.497	29%	0.293	S	S	.	.	T	Hydrogen-bonded Turn	trans	-61	134.9	176.6	-49.2	0	0	0	0	110.3	K119 W124 R127	K119-T122 PolarHBondContact O-N 2.77Å; K119-T122 PolarHBondContact O-OG1 3.47Å; T122-W124 PolarHBondContact O-N 3.13Å; T122-R127 PolarHBondContact O-NH2 2.9Å; T122-R127 VanDerWaalsContact O-NH2 3.08Å
123	D	82.1	Confident	86.1	Confident	79 Å²	79	56.3 Å²	56.3	42%	0.422	29%	0.292	S	S	.	.	T	Hydrogen-bonded Turn	trans	52.2	34.6	-179.6	-63	-62.2	0	0	0	114.6	L121 D125 K126 R127	L121-D123 PolarHBondContact O-N 3.49Å; D123-D125 VanDerWaalsContact C-N 3.27Å; D123-D125 PolarHBondContact O-N 2.88Å; D123-K126 HydrophobicContact CB-CD 4.27Å; D123-K126 PolarHBondContact O-N 2.83Å; D123-K126 IonicContact OD1-NZ 3.36Å; D123-K126 PolarHBondContact OD1-NZ 2.89Å; D123-R127 PolarHBondContact O-NE 3.37Å
124	W	87.1	Confident	86.5	Confident	10 Å²	10	50.4 Å²	50.4	4%	0.038	27%	0.266	C	S	.	.	H	α-helix	trans	-62.2	-35.4	-179.6	71	-94.6	0	0	0	112.4	I87 F108 A111 L121 T122 K126 R127 L128 M231	I87-W124 HydrophobicContact CD1-CB 3.8Å; I87-W124 HydrophobicContact CG1-CB 4.27Å; F108-W124 AromaticContact CD1-CH2 3.94Å; F108-W124 HydrophobicContact CD1-CH2 3.94Å; F108-W124 HydrophobicContact CD1-CZ2 4.5Å; F108-W124 HydrophobicContact CE1-CH2 4.06Å; A111-W124 HydrophobicContact CB-CD2 4.01Å; A111-W124 HydrophobicContact CB-CE3 4.19Å; A111-W124 HydrophobicContact CB-CH2 3.5Å; A111-W124 HydrophobicContact CB-CZ2 3.28Å; A111-W124 HydrophobicContact CB-CZ3 3.96Å; L121-W124 HydrophobicContact CB-CB 4.37Å; L121-W124 HydrophobicContact CD2-CB 4.26Å; L121-W124 HydrophobicContact CD2-CG 4.18Å; L121-W124 HydrophobicContact CG-CB 4.35Å; L121-W124 VanDerWaalsContact O-CD1 3.25Å; L121-W124 PolarHBondContact O-N 3.1Å; T122-W124 PolarHBondContact O-N 3.13Å; W124-K126 VanDerWaalsContact C-N 3.29Å; W124-K126 PolarHBondContact O-N 2.88Å; W124-R127 PolarHBondContact O-N 3.5Å; W124-R127 VanDerWaalsContact O-N 3.15Å; W124-L128 HydrophobicContact CE3-CB 4.39Å; W124-L128 HydrophobicContact CE3-CD2 4.13Å; W124-L128 HydrophobicContact CZ3-CD2 3.77Å; W124-L128 WeakPolarHBondContact O-CB 3.4Å; W124-L128 PolarHBondContact O-N 3.45Å; W124-M231 HydrophobicContact CZ3-SD 4Å
125	D	86.1	Confident	87	Confident	74 Å²	74	51.3 Å²	51.3	40%	0.396	27%	0.271	S	S	.	.	H	α-helix	trans	-64	-30.3	-179.9	62.3	-48.1	0	0	0	112.8	D123 M231	D123-D125 VanDerWaalsContact C-N 3.27Å; D123-D125 PolarHBondContact O-N 2.88Å; D125-M231 VanDerWaalsContact O-CG 3.27Å; D125-M231 WeakPolarHBondContact O-CG 3.4Å
126	K	89.2	Confident	87.4	Confident	147 Å²	147	46.5 Å²	46.5	64%	0.639	25%	0.248	S	C	*	.	H	α-helix	trans	-81.9	-17.8	177	-63.2	174.5	-170.6	153.6	0	113.2	D123 W124	D123-K126 HydrophobicContact CB-CD 4.27Å; D123-K126 PolarHBondContact O-N 2.83Å; D123-K126 IonicContact OD1-NZ 3.36Å; D123-K126 PolarHBondContact OD1-NZ 2.89Å; W124-K126 VanDerWaalsContact C-N 3.29Å; W124-K126 PolarHBondContact O-N 2.88Å
127	R	93.1	Very high	88	Confident	30 Å²	30	43.2 Å²	43.2	11%	0.113	21%	0.214	C	C	.	.	H	α-helix	trans	-109.8	-12.2	-173.8	-63.2	-178.8	-63.2	114.2	-6.9	113.1	I87 N89 P90 V92 T93 A94 T122 D123 W124	I87-R127 PolarHBondContact O-NH1 3.05Å; I87-R127 PolarHBondContact O-NH2 3.34Å; N89-R127 PolarHBondContact O-NH1 3.46Å; N89-R127 VanDerWaalsContact O-NH1 3.16Å; P90-R127 VanDerWaalsContact O-CD 3.27Å; P90-R127 WeakPolarHBondContact O-CD 3.41Å; V92-R127 PolarHBondContact O-NH1 3.24Å; V92-R127 VanDerWaalsContact O-NH1 3.13Å; T93-R127 WeakPolarHBondContact CG2-O 3.47Å; A94-R127 PolarHBondContact N-O 2.77Å; T122-R127 PolarHBondContact O-NH2 2.9Å; T122-R127 VanDerWaalsContact O-NH2 3.08Å; D123-R127 PolarHBondContact O-NE 3.37Å; W124-R127 PolarHBondContact O-N 3.5Å; W124-R127 VanDerWaalsContact O-N 3.15Å
128	L	95.4	Very high	88.5	Confident	0 Å²	0	40.1 Å²	40.1	0%	0	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.3	122	174.1	-177.4	64.9	0	0	0	110	L83 I87 A94 I96 L107 W124 I130 M231	L83-L128 HydrophobicContact CD2-CD1 4.08Å; L83-L128 HydrophobicContact CD2-CD2 3.65Å; L83-L128 HydrophobicContact CD2-CG 4.47Å; I87-L128 HydrophobicContact CD1-CB 4.41Å; A94-L128 HydrophobicContact CB-CD1 3.87Å; I96-L128 HydrophobicContact CD1-CD1 4.04Å; I96-L128 HydrophobicContact CG1-CD1 4.08Å; L107-L128 HydrophobicContact CD1-CD2 4.4Å; W124-L128 HydrophobicContact CE3-CB 4.39Å; W124-L128 HydrophobicContact CE3-CD2 4.13Å; W124-L128 HydrophobicContact CZ3-CD2 3.77Å; W124-L128 WeakPolarHBondContact O-CB 3.4Å; W124-L128 PolarHBondContact O-N 3.45Å; L128-I130 HydrophobicContact CD2-CD1 4.08Å; L128-I130 HydrophobicContact CD2-CG1 4.27Å; L128-I130 HydrophobicContact CG-CD1 4.45Å; L128-I130 HydrophobicContact CG-CG1 4.13Å; L128-M231 HydrophobicContact CB-SD 4.14Å; L128-M231 HydrophobicContact CD2-SD 3.88Å; L128-M231 HydrophobicContact CG-SD 4.31Å; L128-M231 WeakPolarHBondContact O-CB 3.12Å; L128-M231 WeakPolarHBondContact O-CG 3.02Å
129	I	96.8	Very high	89.3	Confident	10 Å²	10	41.3 Å²	41.3	5%	0.051	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.9	131.7	171.9	-54.7	-59.4	0	0	0	109	T93 A94 F95 I96 M231 R233 F238	T93-I129 HydrophobicContact CG2-CG1 4Å; A94-I129 PolarHBondContact O-N 3.43Å; F95-I129 CarbonylContact C-O 3.58Å; F95-I129 VanDerWaalsContact CA-O 3.3Å; F95-I129 WeakPolarHBondContact CA-O 3.33Å; F95-I129 HydrophobicContact CD2-CB 3.95Å; F95-I129 HydrophobicContact CD2-CG2 3.8Å; F95-I129 WeakPolarHBondContact CD2-O 3.48Å; F95-I129 HydrophobicContact CE2-CG2 4.08Å; I96-I129 PolarHBondContact N-O 3.14Å; I129-M231 CarbonylContact C-O 3.55Å; I129-M231 VanDerWaalsContact CA-O 3.28Å; I129-M231 WeakPolarHBondContact CA-O 3.37Å; I129-R233 HydrophobicContact CG2-CB 3.95Å; I129-R233 HydrophobicContact CG2-CG 3.97Å; I129-F238 HydrophobicContact CB-CE1 3.96Å; I129-F238 HydrophobicContact CB-CZ 4.19Å; I129-F238 HydrophobicContact CG1-CE1 4.14Å; I129-F238 HydrophobicContact CG1-CE2 4.39Å; I129-F238 HydrophobicContact CG1-CZ 3.83Å; I129-F238 HydrophobicContact CG2-CD1 3.95Å; I129-F238 HydrophobicContact CG2-CE1 3.83Å; I129-F238 HydrophobicContact CG2-CG 4.36Å; I129-F238 HydrophobicContact CG2-CZ 4.22Å
130	I	97.1	Very high	90.2	Very high	0 Å²	0	32.3 Å²	32.3	0%	0	16%	0.161	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.2	130.4	-179.8	-60.4	173	0	0	0	108.5	I96 I102 L107 L128 D132 I182 L228 M231 V232 R233	I96-I130 HydrophobicContact CB-CG1 4.41Å; I96-I130 HydrophobicContact CD1-CG1 4.29Å; I102-I130 HydrophobicContact CD1-CG2 3.53Å; L107-I130 HydrophobicContact CD2-CD1 3.86Å; L128-I130 HydrophobicContact CD2-CD1 4.08Å; L128-I130 HydrophobicContact CD2-CG1 4.27Å; L128-I130 HydrophobicContact CG-CD1 4.45Å; L128-I130 HydrophobicContact CG-CG1 4.13Å; I130-D132 PolarHBondContact O-N 2.74Å; I130-I182 HydrophobicContact CG2-CG1 4.3Å; I130-L228 HydrophobicContact CD1-CD1 3.63Å; I130-M231 HydrophobicContact CD1-CB 4.38Å; I130-M231 PolarHBondContact N-O 2.93Å; I130-V232 HydrophobicContact CB-CG2 4.19Å; I130-V232 HydrophobicContact CG2-CG2 4.47Å; I130-V232 WeakPolarHBondContact O-CA 3.31Å; I130-R233 PolarHBondContact O-N 2.58Å
131	S	97.6	Very high	91.5	Very high	0 Å²	0	31.4 Å²	31.4	0%	0	15%	0.152	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-63.8	125.7	171.5	-177.5	0	0	0	0	110.3	I96 N98 R133 A134	I96-S131 VanDerWaalsContact O-CB 3.29Å; I96-S131 WeakPolarHBondContact O-CB 3.28Å; I96-S131 PolarHBondContact O-N 2.78Å; N98-S131 WeakPolarHBondContact CB-OG 2.96Å; S131-R133 PolarHBondContact O-N 3.49Å; S131-R133 VanDerWaalsContact O-N 3.13Å; S131-R133 PolarHBondContact OG-N 2.85Å; S131-A134 WeakPolarHBondContact O-CB 3.09Å; S131-A134 PolarHBondContact O-N 3.41Å; S131-A134 VanDerWaalsContact O-N 3.1Å
132	D	96.4	Very high	92.2	Very high	32 Å²	32	33.5 Å²	33.5	17%	0.171	16%	0.161	C	C	.	.	T	Hydrogen-bonded Turn	trans	-55.2	-24.2	170.4	69	-29	0	0	0	113.5	I130 I182 C183 V232 R233	I130-D132 PolarHBondContact O-N 2.74Å; D132-I182 PolarHBondContact O-N 3.31Å; D132-C183 HydrophobicContact CB-CB 4.04Å; D132-C183 WeakPolarHBondContact O-CB 3.45Å; D132-C183 PolarHBondContact O-N 3.08Å; D132-V232 HydrophobicContact CB-CG1 3.7Å; D132-R233 PolarHBondContact N-O 3.17Å
133	R	96.6	Very high	93	Very high	114 Å²	114	31.7 Å²	31.7	43%	0.43	16%	0.155	S	C	.	.	T	Hydrogen-bonded Turn	trans	-87.4	-4.2	-179.9	-68.4	164	-171.9	-102.8	0.7	114.3	N98 S131	N98-R133 HydrophobicContact CB-CB 3.66Å; S131-R133 PolarHBondContact O-N 3.49Å; S131-R133 VanDerWaalsContact O-N 3.13Å; S131-R133 PolarHBondContact OG-N 2.85Å
134	A	96.6	Very high	93.4	Very high	0 Å²	0	28 Å²	28	0%	0	14%	0.135	C	C	.	.	P	Polyproline II helix	trans	-64.6	144.6	175.5	0	0	0	0	0	110.9	I102 S131 R181 I182	I102-A134 HydrophobicContact CD1-CB 3.55Å; I102-A134 HydrophobicContact CG1-CB 4.16Å; S131-A134 WeakPolarHBondContact O-CB 3.09Å; S131-A134 PolarHBondContact O-N 3.41Å; S131-A134 VanDerWaalsContact O-N 3.1Å; A134-R181 CarbonylContact O-C 3.57Å; A134-R181 WeakPolarHBondContact O-CA 3.12Å; A134-R181 VanDerWaalsContact O-CB 3.31Å; A134-R181 WeakPolarHBondContact O-CB 3.27Å; A134-I182 HydrophobicContact CB-CG1 4.1Å; A134-I182 PolarHBondContact O-N 3.07Å
135	H	97.2	Very high	93.4	Very high	20 Å²	20	27.8 Å²	27.8	9%	0.093	14%	0.135	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.5	149.8	-179.9	-75.9	61.6	0	0	0	111.1	V100 V101 I102 V170	V100-H135 PolarHBondContact O-N 2.88Å; V101-H135 CarbonylContact C-O 3.48Å; V101-H135 WeakPolarHBondContact CA-O 3.13Å; V101-H135 HydrophobicContact CG1-CB 4.25Å; I102-H135 PolarHBondContact N-O 3.23Å; H135-V170 HydrophobicContact CB-CG1 3.91Å
136	I	95.8	Very high	93.4	Very high	2 Å²	2	25 Å²	25	1%	0.01	12%	0.124	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.6	130.5	-179.6	-55	171.8	0	0	0	109.7	I102 L104 F138 L180 I182 L185 F192	I102-I136 CarbonylContact O-C 3.52Å; I102-I136 WeakPolarHBondContact O-CA 3.3Å; L104-I136 HydrophobicContact CD1-CG2 4.37Å; L104-I136 HydrophobicContact CG-CG2 4.48Å; I136-F138 HydrophobicContact CB-CE1 4.02Å; I136-F138 HydrophobicContact CB-CZ 3.96Å; I136-F138 HydrophobicContact CG2-CD1 3.79Å; I136-F138 HydrophobicContact CG2-CE1 3.44Å; I136-F138 VanDerWaalsContact CG2-CE1 3.44Å; I136-F138 HydrophobicContact CG2-CZ 3.92Å; I136-L180 PolarHBondContact N-O 3.23Å; I136-I182 HydrophobicContact CD1-CD1 4.19Å; I136-I182 HydrophobicContact CG1-CD1 3.78Å; I136-I182 HydrophobicContact CG1-CG1 4.36Å; I136-L185 HydrophobicContact CD1-CB 3.86Å; I136-L185 HydrophobicContact CD1-CD2 4Å; I136-F192 HydrophobicContact CD1-CE2 4.36Å
137	V	95.3	Very high	93.2	Very high	3 Å²	3	19.4 Å²	19.4	2%	0.018	10%	0.101	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.2	127.1	165.3	-172.6	0	0	0	0	107.2	V101 I102 H103 H141 Q142 K165 V170	V101-V137 HydrophobicContact CB-CG2 3.74Å; V101-V137 HydrophobicContact CG2-CG2 3.8Å; I102-V137 PolarHBondContact O-N 2.97Å; H103-V137 HydrophobicContact CB-CB 3.88Å; H103-V137 HydrophobicContact CB-CG1 4.31Å; H103-V137 HydrophobicContact CB-CG2 4.44Å; H103-V137 PolarHBondContact CD2-O 3.25Å; V137-H141 HydrophobicContact CG1-CB 4.22Å; V137-Q142 HydrophobicContact CG1-CG 4.31Å; V137-K165 WeakPolarHBondContact CG1-O 3.15Å; V137-V170 HydrophobicContact CB-CG2 4.1Å; V137-V170 HydrophobicContact CG1-CG2 4.07Å; V137-V170 HydrophobicContact CG2-CG2 3.98Å
138	F	94.3	Very high	92.8	Very high	2 Å²	2	19.8 Å²	19.8	1%	0.009	10%	0.104	C	C	.	.			trans	-105.2	164.8	178.2	-62	-59.6	0	0	0	109.4	I136 F140 H141 Q142 L180 F192 Y196 L199 L221	I136-F138 HydrophobicContact CB-CE1 4.02Å; I136-F138 HydrophobicContact CB-CZ 3.96Å; I136-F138 HydrophobicContact CG2-CD1 3.79Å; I136-F138 HydrophobicContact CG2-CE1 3.44Å; I136-F138 VanDerWaalsContact CG2-CE1 3.44Å; I136-F138 HydrophobicContact CG2-CZ 3.92Å; F138-F140 VanDerWaalsContact C-N 3.3Å; F138-F140 HydrophobicContact CB-CD1 3.61Å; F138-F140 HydrophobicContact CB-CE1 3.33Å; F138-F140 HydrophobicContact CB-CE2 4.41Å; F138-F140 HydrophobicContact CB-CG 4.29Å; F138-F140 HydrophobicContact CB-CZ 3.79Å; F138-F140 AromaticContact CD2-CE1 3.61Å; F138-F140 HydrophobicContact CD2-CE1 3.61Å; F138-F140 HydrophobicContact CD2-CE2 4.38Å; F138-F140 AromaticContact CD2-CZ 3.43Å; F138-F140 HydrophobicContact CD2-CZ 3.43Å; F138-F140 VanDerWaalsContact CD2-CZ 3.43Å; F138-F140 HydrophobicContact CE2-CZ 4.35Å; F138-F140 HydrophobicContact CG-CD1 4.4Å; F138-F140 AromaticContact CG-CE1 3.66Å; F138-F140 HydrophobicContact CG-CE1 3.66Å; F138-F140 AromaticContact CG-CZ 3.95Å; F138-F140 HydrophobicContact CG-CZ 3.95Å; F138-F140 PolarHBondContact O-N 3.2Å; F138-H141 AromaticContact CD2-CE1 3.51Å; F138-H141 AromaticContact CD2-ND1 3.61Å; F138-H141 PolarHBondContact N-ND1 2.81Å; F138-H141 WeakPolarHBondContact O-CB 3.36Å; F138-H141 PolarHBondContact O-N 3.25Å; F138-Q142 PolarHBondContact O-N 3.16Å; F138-L180 HydrophobicContact CE2-CB 3.98Å; F138-L180 HydrophobicContact CE2-CD1 3.86Å; F138-L180 HydrophobicContact CE2-CG 4.27Å; F138-L180 HydrophobicContact CZ-CB 3.88Å; F138-L180 HydrophobicContact CZ-CD1 3.75Å; F138-L180 HydrophobicContact CZ-CG 4.36Å; F138-F192 HydrophobicContact CE1-CZ 4.08Å; F138-F192 HydrophobicContact CZ-CE2 4.38Å; F138-F192 AromaticContact CZ-CZ 3.99Å; F138-F192 HydrophobicContact CZ-CZ 3.99Å; F138-Y196 HydrophobicContact CB-CE2 4.41Å; F138-Y196 HydrophobicContact CD1-CD2 4.21Å; F138-Y196 AromaticContact CD1-CE2 3.65Å; F138-Y196 HydrophobicContact CD1-CE2 3.65Å; F138-Y196 HydrophobicContact CD2-CD2 4.32Å; F138-Y196 HydrophobicContact CD2-CE2 4.06Å; F138-Y196 AromaticContact CE1-CD2 3.9Å; F138-Y196 HydrophobicContact CE1-CD2 3.9Å; F138-Y196 AromaticContact CE1-CE2 3.82Å; F138-Y196 HydrophobicContact CE1-CE2 3.82Å; F138-Y196 HydrophobicContact CE2-CD2 4.04Å; F138-Y196 HydrophobicContact CE2-CE2 4.22Å; F138-Y196 HydrophobicContact CG-CD2 4.42Å; F138-Y196 AromaticContact CG-CE2 3.79Å; F138-Y196 HydrophobicContact CG-CE2 3.79Å; F138-Y196 AromaticContact CZ-CD2 3.82Å; F138-Y196 HydrophobicContact CZ-CD2 3.82Å; F138-Y196 HydrophobicContact CZ-CE2 4.11Å; F138-L199 HydrophobicContact CD2-CD2 4.4Å; F138-L199 HydrophobicContact CE2-CD2 4.16Å; F138-L221 HydrophobicContact CD1-CD1 3.96Å; F138-L221 HydrophobicContact CD1-CD2 4.47Å; F138-L221 HydrophobicContact CE1-CD1 3.65Å; F138-L221 HydrophobicContact CE1-CD2 4.27Å
139	D	91.5	Very high	92.2	Very high	51 Å²	51	20 Å²	20	27%	0.273	11%	0.106	S	C	.	.	H	α-helix	trans	-67.4	-37.7	-175	-64.7	-21.3	0	0	0	110.3	H103 H141 Q142 A143 E217	H103-D139 IonicContact CD2-OD1 3.76Å; H103-D139 IonicContact CE1-OD1 2.71Å; H103-D139 IonicContact NE2-OD1 3.99Å; H103-D139 PolarHBondContact NE2-OD1 3.13Å; D139-H141 PolarHBondContact O-N 2.91Å; D139-Q142 WeakPolarHBondContact O-CB 3.26Å; D139-Q142 PolarHBondContact O-N 2.92Å; D139-A143 PolarHBondContact O-N 3.41Å; D139-A143 VanDerWaalsContact O-N 3.1Å; D139-E217 PolarHBondContact N-OE2 2.98Å
140	F	90.6	Very high	91.5	Very high	3 Å²	3	24.9 Å²	24.9	1%	0.013	13%	0.128	C	C	.	.	H	α-helix	trans	-61.7	-29.3	173	68.9	-101.5	0	0	0	113.5	F138 Q142 A143 V144 Y196 L199 Y203 L210 I212	F138-F140 VanDerWaalsContact C-N 3.3Å; F138-F140 HydrophobicContact CB-CD1 3.61Å; F138-F140 HydrophobicContact CB-CE1 3.33Å; F138-F140 HydrophobicContact CB-CE2 4.41Å; F138-F140 HydrophobicContact CB-CG 4.29Å; F138-F140 HydrophobicContact CB-CZ 3.79Å; F138-F140 AromaticContact CD2-CE1 3.61Å; F138-F140 HydrophobicContact CD2-CE1 3.61Å; F138-F140 HydrophobicContact CD2-CE2 4.38Å; F138-F140 AromaticContact CD2-CZ 3.43Å; F138-F140 HydrophobicContact CD2-CZ 3.43Å; F138-F140 VanDerWaalsContact CD2-CZ 3.43Å; F138-F140 HydrophobicContact CE2-CZ 4.35Å; F138-F140 HydrophobicContact CG-CD1 4.4Å; F138-F140 AromaticContact CG-CE1 3.66Å; F138-F140 HydrophobicContact CG-CE1 3.66Å; F138-F140 AromaticContact CG-CZ 3.95Å; F138-F140 HydrophobicContact CG-CZ 3.95Å; F138-F140 PolarHBondContact O-N 3.2Å; F140-Q142 VanDerWaalsContact C-N 3.29Å; F140-Q142 PolarHBondContact O-N 3.43Å; F140-A143 PolarHBondContact O-N 2.79Å; F140-V144 WeakPolarHBondContact O-CB 3.45Å; F140-V144 WeakPolarHBondContact O-CG2 3.19Å; F140-V144 PolarHBondContact O-N 3.38Å; F140-Y196 HydrophobicContact CD1-CE2 4.37Å; F140-Y196 HydrophobicContact CE1-CD2 4.38Å; F140-Y196 AromaticContact CE1-CE2 3.56Å; F140-Y196 HydrophobicContact CE1-CE2 3.56Å; F140-Y196 AromaticContact CE1-CZ 3.72Å; F140-Y196 HydrophobicContact CZ-CE2 4.48Å; F140-L199 HydrophobicContact CE2-CD2 4.47Å; F140-L199 HydrophobicContact CE2-CG 4.39Å; F140-L199 HydrophobicContact CZ-CD2 3.96Å; F140-L199 HydrophobicContact CZ-CG 4.1Å; F140-Y203 AromaticContact CD2-CD2 3.94Å; F140-Y203 HydrophobicContact CD2-CD2 3.94Å; F140-Y203 HydrophobicContact CD2-CE2 4.44Å; F140-Y203 HydrophobicContact CD2-CG 4.2Å; F140-Y203 AromaticContact CE2-CD2 3.46Å; F140-Y203 HydrophobicContact CE2-CD2 3.46Å; F140-Y203 VanDerWaalsContact CE2-CD2 3.46Å; F140-Y203 AromaticContact CE2-CE2 3.73Å; F140-Y203 HydrophobicContact CE2-CE2 3.73Å; F140-Y203 HydrophobicContact CE2-CG 4.18Å; F140-Y203 HydrophobicContact CZ-CD2 4.44Å; F140-L210 HydrophobicContact CB-CD2 4.39Å; F140-I212 HydrophobicContact CB-CD1 3.66Å; F140-I212 HydrophobicContact CB-CG1 3.84Å; F140-I212 HydrophobicContact CB-CG2 4.28Å; F140-I212 HydrophobicContact CD1-CD1 4.36Å; F140-I212 HydrophobicContact CD1-CG2 4.24Å; F140-I212 HydrophobicContact CD2-CD1 4.48Å; F140-I212 HydrophobicContact CG-CD1 3.95Å
141	H	93.6	Very high	90.7	Very high	1 Å²	1	28.2 Å²	28.2	1%	0.005	14%	0.144	C	C	.	.	H	α-helix	trans	-65.1	-36.1	174	-71	136.9	0	0	0	111.2	V137 F138 D139 D145 G166 P169 V170 Y203	V137-H141 HydrophobicContact CG1-CB 4.22Å; F138-H141 AromaticContact CD2-CE1 3.51Å; F138-H141 AromaticContact CD2-ND1 3.61Å; F138-H141 PolarHBondContact N-ND1 2.81Å; F138-H141 WeakPolarHBondContact O-CB 3.36Å; F138-H141 PolarHBondContact O-N 3.25Å; D139-H141 PolarHBondContact O-N 2.91Å; H141-D145 PolarHBondContact O-N 3.23Å; H141-D145 VanDerWaalsContact O-N 3.13Å; H141-G166 VanDerWaalsContact O-CA 3.27Å; H141-G166 WeakPolarHBondContact O-CA 3.24Å; H141-P169 HydrophobicContact CB-CB 4.26Å; H141-V170 HydrophobicContact CB-CG2 3.88Å; H141-V170 VanDerWaalsContact ND1-CG2 3.26Å; H141-V170 WeakPolarHBondContact ND1-CG2 3.46Å; H141-Y203 AromaticContact CD2-CE2 3.8Å; H141-Y203 AromaticContact CD2-CZ 3.69Å; H141-Y203 AromaticContact NE2-CE2 3.48Å; H141-Y203 WeakPolarHBondContact NE2-CE2 3.42Å; H141-Y203 AromaticContact NE2-CZ 3.69Å; H141-Y203 PolarHBondContact NE2-OH 2.79Å
142	Q	91	Very high	89.7	Confident	44 Å²	44	32.8 Å²	32.8	21%	0.206	16%	0.161	C	C	.	.	H	α-helix	trans	-68.6	-42	175.3	-53.9	-169.8	-10.3	0	0	111.3	H103 V137 F138 D139 F140 D145 G146	H103-Q142 PolarHBondContact CD2-NE2 3.25Å; H103-Q142 PolarHBondContact CE1-NE2 3.39Å; H103-Q142 VanDerWaalsContact CE1-NE2 3.33Å; H103-Q142 PolarHBondContact ND1-NE2 3.18Å; H103-Q142 PolarHBondContact NE2-NE2 3.38Å; V137-Q142 HydrophobicContact CG1-CG 4.31Å; F138-Q142 PolarHBondContact O-N 3.16Å; D139-Q142 WeakPolarHBondContact O-CB 3.26Å; D139-Q142 PolarHBondContact O-N 2.92Å; F140-Q142 VanDerWaalsContact C-N 3.29Å; F140-Q142 PolarHBondContact O-N 3.43Å; Q142-D145 PolarHBondContact O-N 3.08Å; Q142-G146 PolarHBondContact O-N 3.08Å; Q142-G146 VanDerWaalsContact O-N 3.16Å
143	A	89.9	Confident	88.8	Confident	44 Å²	44	36.2 Å²	36.2	36%	0.364	18%	0.176	S	C	.	.	H	α-helix	trans	-62.5	-44.7	176.3	0	0	0	0	0	111.8	D139 F140 D145 G146 V147 L210	D139-A143 PolarHBondContact O-N 3.41Å; D139-A143 VanDerWaalsContact O-N 3.1Å; F140-A143 PolarHBondContact O-N 2.79Å; A143-D145 PolarHBondContact O-N 3.22Å; A143-G146 PolarHBondContact O-N 2.94Å; A143-G146 VanDerWaalsContact O-N 3.15Å; A143-V147 WeakPolarHBondContact O-CG2 3.2Å; A143-V147 PolarHBondContact O-N 3.3Å; A143-L210 HydrophobicContact CB-CD1 3.47Å; A143-L210 VanDerWaalsContact CB-CD1 3.47Å
144	V	89.3	Confident	87.6	Confident	0 Å²	0	37.2 Å²	37.2	0%	0	19%	0.185	C	C	.	.	H	α-helix	trans	-61	-42.1	176.5	170.4	0	0	0	0	111.9	F140 G146 V147 Q148 P169 Y203 Y207 L210	F140-V144 WeakPolarHBondContact O-CB 3.45Å; F140-V144 WeakPolarHBondContact O-CG2 3.19Å; F140-V144 PolarHBondContact O-N 3.38Å; V144-G146 VanDerWaalsContact C-N 3.28Å; V144-G146 PolarHBondContact O-N 3.33Å; V144-V147 PolarHBondContact O-N 2.8Å; V144-Q148 HydrophobicContact CG1-CG 4.19Å; V144-Q148 WeakPolarHBondContact O-CB 3.32Å; V144-Q148 WeakPolarHBondContact O-CG 3.44Å; V144-Q148 PolarHBondContact O-N 3.39Å; V144-P169 HydrophobicContact CB-CG 4.4Å; V144-P169 HydrophobicContact CG1-CB 4.38Å; V144-P169 HydrophobicContact CG1-CG 4.05Å; V144-Y203 HydrophobicContact CB-CD1 4.46Å; V144-Y203 HydrophobicContact CG1-CD1 4.16Å; V144-Y203 HydrophobicContact CG1-CE1 4.11Å; V144-Y203 HydrophobicContact CG2-CD1 3.7Å; V144-Y203 HydrophobicContact CG2-CE1 4.3Å; V144-Y203 HydrophobicContact CG2-CG 4.35Å; V144-Y207 HydrophobicContact CG1-CD2 3.95Å; V144-Y207 HydrophobicContact CG1-CE2 3.52Å; V144-Y207 HydrophobicContact CG2-CD2 3.97Å; V144-Y207 HydrophobicContact CG2-CE2 4.36Å; V144-L210 HydrophobicContact CG2-CD1 4.12Å; V144-L210 HydrophobicContact CG2-CD2 3.53Å; V144-L210 HydrophobicContact CG2-CG 4.47Å
145	D	87.8	Confident	86.1	Confident	7 Å²	7	45.1 Å²	45.1	4%	0.037	22%	0.222	C	C	.	.	H	α-helix	trans	-58.4	-42.6	175.5	-170.8	10.3	0	0	0	111	H141 Q142 A143 E149 T162 K164 K165 G166 P169	H141-D145 PolarHBondContact O-N 3.23Å; H141-D145 VanDerWaalsContact O-N 3.13Å; Q142-D145 PolarHBondContact O-N 3.08Å; A143-D145 PolarHBondContact O-N 3.22Å; D145-E149 WeakPolarHBondContact O-CB 3.19Å; D145-E149 PolarHBondContact O-N 2.91Å; D145-E149 VanDerWaalsContact O-N 3.14Å; D145-T162 VanDerWaalsContact OD1-CB 3.28Å; D145-T162 WeakPolarHBondContact OD1-CB 3.47Å; D145-T162 PolarHBondContact OD1-OG1 3.44Å; D145-K164 WeakPolarHBondContact OD2-CA 3.46Å; D145-K164 PolarHBondContact OD2-N 2.81Å; D145-K165 PolarHBondContact OD2-N 3.09Å; D145-G166 PolarHBondContact OD2-N 2.91Å; D145-P169 HydrophobicContact CB-CG 3.98Å
146	G	86.1	Confident	84.4	Confident	16 Å²	16	47.3 Å²	47.3	17%	0.165	24%	0.244	C	C	.	.	H	α-helix	trans	-62.2	-44.4	174.1	0	0	0	0	0	113.8	Q142 A143 V144 E149 Q150	Q142-G146 PolarHBondContact O-N 3.08Å; Q142-G146 VanDerWaalsContact O-N 3.16Å; A143-G146 PolarHBondContact O-N 2.94Å; A143-G146 VanDerWaalsContact O-N 3.15Å; V144-G146 VanDerWaalsContact C-N 3.28Å; V144-G146 PolarHBondContact O-N 3.33Å; G146-E149 PolarHBondContact O-N 3.15Å; G146-Q150 PolarHBondContact O-N 3.24Å
147	V	86.1	Confident	82.8	Confident	28 Å²	28	50.4 Å²	50.4	17%	0.17	28%	0.276	C	S	.	.	H	α-helix	trans	-66.8	-44.7	178.9	173.1	0	0	0	0	111.3	A143 V144 E149 Q150 Q151 Y207	A143-V147 WeakPolarHBondContact O-CG2 3.2Å; A143-V147 PolarHBondContact O-N 3.3Å; V144-V147 PolarHBondContact O-N 2.8Å; V147-E149 VanDerWaalsContact C-N 3.27Å; V147-E149 PolarHBondContact O-N 3.03Å; V147-Q150 PolarHBondContact O-N 2.71Å; V147-Q151 HydrophobicContact CG1-CG 4.32Å; V147-Q151 WeakPolarHBondContact O-CG 3.47Å; V147-Q151 PolarHBondContact O-N 3.1Å; V147-Y207 HydrophobicContact CG1-CD1 3.92Å
148	Q	84.4	Confident	81.3	Confident	38 Å²	38	56 Å²	56	18%	0.178	30%	0.3	C	S	.	.	H	α-helix	trans	-60.5	-38.7	177.8	-75.8	-175.8	1.9	0	0	112.1	V144 R152 Y207	V144-Q148 HydrophobicContact CG1-CG 4.19Å; V144-Q148 WeakPolarHBondContact O-CB 3.32Å; V144-Q148 WeakPolarHBondContact O-CG 3.44Å; V144-Q148 PolarHBondContact O-N 3.39Å; Q148-R152 WeakPolarHBondContact O-CB 3.3Å; Q148-R152 WeakPolarHBondContact O-CG 3.47Å; Q148-R152 PolarHBondContact O-N 3.25Å; Q148-Y207 HydrophobicContact CG-CE1 3.99Å; Q148-Y207 WeakPolarHBondContact CG-OH 3.37Å; Q148-Y207 PolarHBondContact NE2-OH 2.7Å
149	E	81.8	Confident	80.1	Confident	6 Å²	6	57.8 Å²	57.8	3%	0.028	31%	0.31	C	S	.	.	H	α-helix	trans	-65.9	-41.5	177.4	-175.3	70.6	171.7	0	0	111.4	D145 G146 V147 R152 Q153 N159 L160 G161	D145-E149 WeakPolarHBondContact O-CB 3.19Å; D145-E149 PolarHBondContact O-N 2.91Å; D145-E149 VanDerWaalsContact O-N 3.14Å; G146-E149 PolarHBondContact O-N 3.15Å; V147-E149 VanDerWaalsContact C-N 3.27Å; V147-E149 PolarHBondContact O-N 3.03Å; E149-R152 PolarHBondContact O-N 2.92Å; E149-Q153 WeakPolarHBondContact O-CB 3.33Å; E149-Q153 PolarHBondContact O-N 2.82Å; E149-N159 VanDerWaalsContact OE1-CB 3.26Å; E149-N159 WeakPolarHBondContact OE1-CB 3.44Å; E149-L160 PolarHBondContact OE1-N 2.83Å; E149-L160 VanDerWaalsContact OE1-N 3.12Å; E149-L160 WeakPolarHBondContact OE2-CB 3.4Å; E149-L160 PolarHBondContact OE2-N 2.85Å; E149-L160 VanDerWaalsContact OE2-N 3.1Å; E149-G161 WeakPolarHBondContact OE1-CA 3.43Å; E149-G161 PolarHBondContact OE1-N 2.96Å
150	Q	81.7	Confident	79	Confident	111 Å²	111	57.3 Å²	57.3	52%	0.519	31%	0.307	S	S	.	.	H	α-helix	trans	-65.1	-46.1	175.9	-177.8	176.9	-8.7	0	0	111.7	G146 V147 R152 Q153 E154	G146-Q150 PolarHBondContact O-N 3.24Å; V147-Q150 PolarHBondContact O-N 2.71Å; Q150-R152 VanDerWaalsContact C-N 3.33Å; Q150-R152 PolarHBondContact O-N 3.47Å; Q150-Q153 WeakPolarHBondContact O-CB 3.46Å; Q150-Q153 PolarHBondContact O-N 2.98Å; Q150-E154 VanDerWaalsContact CG-OE1 3.3Å; Q150-E154 WeakPolarHBondContact CG-OE1 3.34Å; Q150-E154 PolarHBondContact NE2-OE1 3.05Å; Q150-E154 WeakPolarHBondContact O-CG 3.42Å; Q150-E154 PolarHBondContact O-N 2.89Å
151	Q	80.8	Confident	78	Confident	70 Å²	70	58.3 Å²	58.3	33%	0.327	32%	0.318	S	S	.	.	H	α-helix	trans	-61.4	-41.1	177.4	-72.6	178.4	-14.8	0	0	111.9	V147 Q153 E154 Q155	V147-Q151 HydrophobicContact CG1-CG 4.32Å; V147-Q151 WeakPolarHBondContact O-CG 3.47Å; V147-Q151 PolarHBondContact O-N 3.1Å; Q151-Q153 VanDerWaalsContact C-N 3.35Å; Q151-E154 PolarHBondContact O-N 2.96Å; Q151-Q155 WeakPolarHBondContact O-CB 3.17Å; Q151-Q155 VanDerWaalsContact O-CG 3.31Å; Q151-Q155 WeakPolarHBondContact O-CG 3.24Å; Q151-Q155 PolarHBondContact O-N 3.3Å
152	R	77.9	Confident	77	Confident	96 Å²	96	59.6 Å²	59.6	36%	0.362	33%	0.326	S	S	.	.	H	α-helix	trans	-64	-40.2	175.4	-78.4	-174.5	-122.8	-149	1.7	112.3	Q148 E149 Q150 A156 K158	Q148-R152 WeakPolarHBondContact O-CB 3.3Å; Q148-R152 WeakPolarHBondContact O-CG 3.47Å; Q148-R152 PolarHBondContact O-N 3.25Å; E149-R152 PolarHBondContact O-N 2.92Å; Q150-R152 VanDerWaalsContact C-N 3.33Å; Q150-R152 PolarHBondContact O-N 3.47Å; R152-A156 WeakPolarHBondContact O-CB 3.39Å; R152-A156 PolarHBondContact O-N 3.35Å; R152-K158 CarbonylContact C-O 3.59Å
153	Q	75.8	Confident	76	Confident	105 Å²	105	60.3 Å²	60.3	49%	0.491	33%	0.334	S	S	.	.	H	α-helix	trans	-59.3	-47.7	174.3	-177.7	165	2.1	0	0	111.4	E149 Q150 Q151 G157 N159	E149-Q153 WeakPolarHBondContact O-CB 3.33Å; E149-Q153 PolarHBondContact O-N 2.82Å; Q150-Q153 WeakPolarHBondContact O-CB 3.46Å; Q150-Q153 PolarHBondContact O-N 2.98Å; Q151-Q153 VanDerWaalsContact C-N 3.35Å; Q153-G157 VanDerWaalsContact O-CA 3.27Å; Q153-G157 WeakPolarHBondContact O-CA 3.18Å; Q153-G157 PolarHBondContact O-N 3.18Å; Q153-G157 VanDerWaalsContact O-N 3.07Å; Q153-N159 WeakPolarHBondContact CB-OD1 3.44Å; Q153-N159 WeakPolarHBondContact CG-OD1 3.42Å; Q153-N159 PolarHBondContact OE1-ND2 3.49Å; Q153-N159 PolarHBondContact OE1-OD1 3.09Å
154	E	72.2	Confident	75.6	Confident	134 Å²	134	63.5 Å²	63.5	63%	0.626	34%	0.34	S	S	*	.	H	α-helix	trans	-67.1	-38.8	-178.3	-71.1	169.5	-174.4	0	0	112.4	Q150 Q151	Q150-E154 VanDerWaalsContact CG-OE1 3.3Å; Q150-E154 WeakPolarHBondContact CG-OE1 3.34Å; Q150-E154 PolarHBondContact NE2-OE1 3.05Å; Q150-E154 WeakPolarHBondContact O-CG 3.42Å; Q150-E154 PolarHBondContact O-N 2.89Å; Q151-E154 PolarHBondContact O-N 2.96Å
155	Q	64.8	Low	75.5	Confident	166 Å²	166	66.6 Å²	66.6	78%	0.776	35%	0.353	S	S	*	.	H	α-helix	trans	-85.4	-42	-175.3	-70.2	179.3	-3.1	0	0	114	Q151	Q151-Q155 WeakPolarHBondContact O-CB 3.17Å; Q151-Q155 VanDerWaalsContact O-CG 3.31Å; Q151-Q155 WeakPolarHBondContact O-CG 3.24Å; Q151-Q155 PolarHBondContact O-N 3.3Å
156	A	61.5	Low	75.5	Confident	67 Å²	67	66.3 Å²	66.3	55%	0.554	35%	0.351	S	S	*	.	H	α-helix	trans	-112.3	-3.5	-169.7	0	0	0	0	0	113.3	R152 K158	R152-A156 WeakPolarHBondContact O-CB 3.39Å; R152-A156 PolarHBondContact O-N 3.35Å; A156-K158 HydrophobicContact CB-CB 4.48Å; A156-K158 PolarHBondContact O-N 3Å
157	G	62.2	Low	75.7	Confident	66 Å²	66	65.8 Å²	65.8	68%	0.68	35%	0.345	S	S	*	.	S	Bend	trans	61	11.7	-172.4	0	0	0	0	0	113.6	Q153	Q153-G157 VanDerWaalsContact O-CA 3.27Å; Q153-G157 WeakPolarHBondContact O-CA 3.18Å; Q153-G157 PolarHBondContact O-N 3.18Å; Q153-G157 VanDerWaalsContact O-N 3.07Å
158	K	63.4	Low	75.8	Confident	120 Å²	120	65.5 Å²	65.5	52%	0.522	35%	0.348	S	S	.	.			trans	-127.5	121.8	-174.1	-69.8	179.9	-176.8	179.1	0	109.5	R152 A156 I308	R152-K158 CarbonylContact C-O 3.59Å; A156-K158 HydrophobicContact CB-CB 4.48Å; A156-K158 PolarHBondContact O-N 3Å; K158-I308 HydrophobicContact CB-CD1 4.09Å
159	N	68.8	Low	76.2	Confident	41 Å²	41	63.9 Å²	63.9	22%	0.219	34%	0.34	C	S	.	.			trans	-94.6	133.3	175.3	-75.9	51.1	0	0	0	109.5	E149 Q153 G161 I308	E149-N159 VanDerWaalsContact OE1-CB 3.26Å; E149-N159 WeakPolarHBondContact OE1-CB 3.44Å; Q153-N159 WeakPolarHBondContact CB-OD1 3.44Å; Q153-N159 WeakPolarHBondContact CG-OD1 3.42Å; Q153-N159 PolarHBondContact OE1-ND2 3.49Å; Q153-N159 PolarHBondContact OE1-OD1 3.09Å; N159-G161 PolarHBondContact O-N 2.83Å; N159-I308 WeakPolarHBondContact O-CD1 3.47Å; N159-I308 WeakPolarHBondContact O-CG1 3.2Å
160	L	68.4	Low	76.8	Confident	40 Å²	40	63.7 Å²	63.7	21%	0.209	34%	0.34	C	S	.	.			trans	-67.5	-24.7	176	-140.9	102.1	0	0	0	111.5	E149 T162 P269 F270	E149-L160 PolarHBondContact OE1-N 2.83Å; E149-L160 VanDerWaalsContact OE1-N 3.12Å; E149-L160 WeakPolarHBondContact OE2-CB 3.4Å; E149-L160 PolarHBondContact OE2-N 2.85Å; E149-L160 VanDerWaalsContact OE2-N 3.1Å; L160-T162 HydrophobicContact CB-CG2 3.93Å; L160-T162 HydrophobicContact CD2-CG2 4.06Å; L160-P269 HydrophobicContact CD1-CB 4.24Å; L160-P269 WeakPolarHBondContact CD2-O 3.44Å; L160-F270 HydrophobicContact CG-CD1 4.37Å
161	G	69.6	Low	77.3	Confident	24 Å²	24	59.6 Å²	59.6	25%	0.247	32%	0.32	C	S	.	.			trans	79.1	33	-173.2	0	0	0	0	0	112.4	E149 N159	E149-G161 WeakPolarHBondContact OE1-CA 3.43Å; E149-G161 PolarHBondContact OE1-N 2.96Å; N159-G161 PolarHBondContact O-N 2.83Å
162	T	73.5	Confident	77.9	Confident	28 Å²	28	59.8 Å²	59.8	17%	0.172	33%	0.329	C	S	.	.			trans	-59	154.9	-179.4	78.7	0	0	0	0	111.3	D145 L160 K164	D145-T162 VanDerWaalsContact OD1-CB 3.28Å; D145-T162 WeakPolarHBondContact OD1-CB 3.47Å; D145-T162 PolarHBondContact OD1-OG1 3.44Å; L160-T162 HydrophobicContact CB-CG2 3.93Å; L160-T162 HydrophobicContact CD2-CG2 4.06Å; T162-K164 PolarHBondContact O-N 3.02Å; T162-K164 PolarHBondContact OG1-N 3.18Å
163	T	69.5	Low	78.6	Confident	59 Å²	59	55.3 Å²	55.3	36%	0.362	31%	0.312	S	S	.	.			trans	-75	-1.8	177.9	55.6	0	0	0	0	112.8	N66 K165	N66-T163 HydrophobicContact CB-CG2 4.07Å; N66-T163 WeakPolarHBondContact CB-OG1 3.4Å; T163-K165 PolarHBondContact O-N 2.87Å
164	K	82.7	Confident	79.5	Confident	112 Å²	112	53.4 Å²	53.4	49%	0.487	30%	0.302	S	S	.	.	S	Bend	trans	53.2	38	-174.8	-55.7	-174.7	177.9	-169.5	0	112.3	D145 T162	D145-K164 WeakPolarHBondContact OD2-CA 3.46Å; D145-K164 PolarHBondContact OD2-N 2.81Å; T162-K164 PolarHBondContact O-N 3.02Å; T162-K164 PolarHBondContact OG1-N 3.18Å
165	K	85.6	Confident	80.5	Confident	65 Å²	65	50.8 Å²	50.8	28%	0.283	30%	0.303	S	S	.	.	S	Bend	trans	-108.5	3	-177.4	-70.7	-57.8	-173	177.6	0	112.6	N65 V137 D145 T163 I167	N65-K165 WeakPolarHBondContact OD1-CB 3.37Å; V137-K165 WeakPolarHBondContact CG1-O 3.15Å; D145-K165 PolarHBondContact OD2-N 3.09Å; T163-K165 PolarHBondContact O-N 2.87Å; K165-I167 VanDerWaalsContact C-N 3.28Å; K165-I167 HydrophobicContact CB-CD1 4.34Å; K165-I167 HydrophobicContact CB-CG1 4.11Å; K165-I167 PolarHBondContact O-N 3.22Å
166	G	88.1	Confident	81.9	Confident	0 Å²	0	45.5 Å²	45.5	0%	0	29%	0.288	C	S	.	.	S	Bend	trans	77.6	12.2	175.9	0	0	0	0	0	114.3	H141 D145 V170	H141-G166 VanDerWaalsContact O-CA 3.27Å; H141-G166 WeakPolarHBondContact O-CA 3.24Å; D145-G166 PolarHBondContact OD2-N 2.91Å; G166-V170 VanDerWaalsContact O-CG2 3.24Å; G166-V170 WeakPolarHBondContact O-CG2 3.38Å; G166-V170 PolarHBondContact O-N 2.82Å
167	I	90.3	Very high	83.4	Confident	5 Å²	5	53.1 Å²	53.1	3%	0.026	30%	0.303	C	S	.	.	H	α-helix	trans	-63.4	-51	-178.3	-52.3	-57.4	0	0	0	110.6	N66 V101 K165 V170 Y171	N66-I167 HydrophobicContact CB-CD1 4.38Å; N66-I167 HydrophobicContact CB-CG1 3.84Å; V101-I167 HydrophobicContact CG2-CD1 3.6Å; V101-I167 HydrophobicContact CG2-CG2 4.15Å; K165-I167 VanDerWaalsContact C-N 3.28Å; K165-I167 HydrophobicContact CB-CD1 4.34Å; K165-I167 HydrophobicContact CB-CG1 4.11Å; K165-I167 PolarHBondContact O-N 3.22Å; I167-V170 PolarHBondContact O-N 2.84Å; I167-Y171 HydrophobicContact CG2-CD2 3.68Å; I167-Y171 HydrophobicContact CG2-CE2 3.66Å; I167-Y171 VanDerWaalsContact O-CD2 3.32Å; I167-Y171 WeakPolarHBondContact O-CD2 3.42Å; I167-Y171 PolarHBondContact O-N 2.54Å
168	G	89.4	Confident	84.8	Confident	23 Å²	23	51.9 Å²	51.9	24%	0.237	28%	0.284	C	S	.	.	H	α-helix	trans	-59.5	-52.3	179.6	0	0	0	0	0	113.3	V170 Y171 S172 S273	G168-V170 VanDerWaalsContact C-N 3.29Å; G168-V170 PolarHBondContact O-N 2.84Å; G168-Y171 PolarHBondContact O-N 3.22Å; G168-S172 PolarHBondContact O-N 2.76Å; G168-S273 WeakPolarHBondContact CA-OG 3.02Å
169	P	91.6	Very high	86.2	Confident	3 Å²	3	46.9 Å²	46.9	2%	0.019	27%	0.266	C	S	.	.	H	α-helix	trans	-54.4	-40.3	176	-31.5	38	0	0	0	114.1	H141 V144 D145 S172 A173 Y203	H141-P169 HydrophobicContact CB-CB 4.26Å; V144-P169 HydrophobicContact CB-CG 4.4Å; V144-P169 HydrophobicContact CG1-CB 4.38Å; V144-P169 HydrophobicContact CG1-CG 4.05Å; D145-P169 HydrophobicContact CB-CG 3.98Å; P169-S172 WeakPolarHBondContact O-CB 3.29Å; P169-S172 PolarHBondContact O-N 2.85Å; P169-A173 PolarHBondContact O-N 2.96Å; P169-Y203 PolarHBondContact O-OH 2.77Å
170	V	94.6	Very high	87.5	Confident	2 Å²	2	45.1 Å²	45.1	1%	0.012	26%	0.257	C	S	.	.	H	α-helix	trans	-71.2	-41.9	179.4	176.4	0	0	0	0	112.1	V101 H135 V137 H141 G166 I167 G168 S172 A173 K174	V101-V170 HydrophobicContact CB-CB 4.48Å; V101-V170 HydrophobicContact CB-CG1 3.9Å; V101-V170 HydrophobicContact CG1-CB 4.28Å; V101-V170 HydrophobicContact CG1-CG1 3.56Å; H135-V170 HydrophobicContact CB-CG1 3.91Å; V137-V170 HydrophobicContact CB-CG2 4.1Å; V137-V170 HydrophobicContact CG1-CG2 4.07Å; V137-V170 HydrophobicContact CG2-CG2 3.98Å; H141-V170 HydrophobicContact CB-CG2 3.88Å; H141-V170 VanDerWaalsContact ND1-CG2 3.26Å; H141-V170 WeakPolarHBondContact ND1-CG2 3.46Å; G166-V170 VanDerWaalsContact O-CG2 3.24Å; G166-V170 WeakPolarHBondContact O-CG2 3.38Å; G166-V170 PolarHBondContact O-N 2.82Å; I167-V170 PolarHBondContact O-N 2.84Å; G168-V170 VanDerWaalsContact C-N 3.29Å; G168-V170 PolarHBondContact O-N 2.84Å; V170-S172 VanDerWaalsContact C-N 3.25Å; V170-S172 PolarHBondContact O-N 2.82Å; V170-A173 PolarHBondContact O-N 3.16Å; V170-K174 WeakPolarHBondContact O-CB 3.49Å; V170-K174 PolarHBondContact O-N 3.28Å
171	Y	93.5	Very high	88.8	Confident	26 Å²	26	47.3 Å²	47.3	10%	0.102	26%	0.262	C	S	.	.	H	α-helix	trans	-64.5	-32.8	173.9	-84	-73.4	0	0	0	111.9	G63 G99 V101 I167 G168 K174 A175 S274	G63-Y171 PolarHBondContact N-OH 2.89Å; G63-Y171 VanDerWaalsContact N-OH 3.14Å; G99-Y171 PolarHBondContact O-OH 3.46Å; V101-Y171 HydrophobicContact CG1-CD2 4.07Å; V101-Y171 HydrophobicContact CG1-CE1 4.27Å; V101-Y171 HydrophobicContact CG1-CE2 3.75Å; V101-Y171 HydrophobicContact CG1-CG 4.47Å; V101-Y171 HydrophobicContact CG2-CE2 4.07Å; I167-Y171 HydrophobicContact CG2-CD2 3.68Å; I167-Y171 HydrophobicContact CG2-CE2 3.66Å; I167-Y171 VanDerWaalsContact O-CD2 3.32Å; I167-Y171 WeakPolarHBondContact O-CD2 3.42Å; I167-Y171 PolarHBondContact O-N 2.54Å; G168-Y171 PolarHBondContact O-N 3.22Å; Y171-K174 HydrophobicContact CD1-CD 4.08Å; Y171-K174 HydrophobicContact CE1-CD 4.35Å; Y171-K174 WeakPolarHBondContact O-CB 3.35Å; Y171-K174 PolarHBondContact O-N 3.02Å; Y171-A175 WeakPolarHBondContact O-CB 3.46Å; Y171-A175 PolarHBondContact O-N 2.95Å; Y171-S274 WeakPolarHBondContact OH-CB 3.47Å
172	S	92.9	Very high	90	Very high	74 Å²	74	46.2 Å²	46.2	52%	0.517	25%	0.251	S	S	.	.	H	α-helix	trans	-64.2	-47.5	170.7	-174.1	0	0	0	0	111.7	G168 P169 V170 K174 A175 A176	G168-S172 PolarHBondContact O-N 2.76Å; P169-S172 WeakPolarHBondContact O-CB 3.29Å; P169-S172 PolarHBondContact O-N 2.85Å; V170-S172 VanDerWaalsContact C-N 3.25Å; V170-S172 PolarHBondContact O-N 2.82Å; S172-K174 VanDerWaalsContact C-N 3.29Å; S172-K174 PolarHBondContact O-N 3.45Å; S172-A175 PolarHBondContact O-N 2.77Å; S172-A175 VanDerWaalsContact O-N 3.17Å; S172-A176 WeakPolarHBondContact O-CB 3.37Å; S172-A176 PolarHBondContact O-N 2.8Å
173	A	92.9	Very high	91.1	Very high	2 Å²	2	46.5 Å²	46.5	2%	0.017	25%	0.253	C	S	.	.	H	α-helix	trans	-61.9	-36.5	175.5	0	0	0	0	0	112.5	P169 V170 A176 R177 S178 G179	P169-A173 PolarHBondContact O-N 2.96Å; V170-A173 PolarHBondContact O-N 3.16Å; A173-A176 PolarHBondContact O-N 2.99Å; A173-R177 PolarHBondContact O-N 2.88Å; A173-S178 PolarHBondContact O-N 3.14Å; A173-S178 PolarHBondContact O-OG 2.97Å; A173-G179 PolarHBondContact O-N 2.95Å
174	K	94.4	Very high	92.2	Very high	65 Å²	65	44.8 Å²	44.8	28%	0.283	24%	0.242	S	C	.	.	H	α-helix	trans	-61.3	-47.6	172.6	176.8	176.1	-175.6	-179.1	0	111.2	V170 Y171 S172 A176 R177	V170-K174 WeakPolarHBondContact O-CB 3.49Å; V170-K174 PolarHBondContact O-N 3.28Å; Y171-K174 HydrophobicContact CD1-CD 4.08Å; Y171-K174 HydrophobicContact CE1-CD 4.35Å; Y171-K174 WeakPolarHBondContact O-CB 3.35Å; Y171-K174 PolarHBondContact O-N 3.02Å; S172-K174 VanDerWaalsContact C-N 3.29Å; S172-K174 PolarHBondContact O-N 3.45Å; K174-A176 VanDerWaalsContact C-N 3.35Å; K174-R177 PolarHBondContact O-N 3.1Å
175	A	93.4	Very high	92.7	Very high	78 Å²	78	39.6 Å²	39.6	65%	0.645	22%	0.22	S	C	*	.	H	α-helix	trans	-65.7	-37.5	176.4	0	0	0	0	0	112.2	Y171 S172 R177	Y171-A175 WeakPolarHBondContact O-CB 3.46Å; Y171-A175 PolarHBondContact O-N 2.95Å; S172-A175 PolarHBondContact O-N 2.77Å; S172-A175 VanDerWaalsContact O-N 3.17Å; A175-R177 PolarHBondContact O-N 3.18Å
176	A	93.8	Very high	92.9	Very high	56 Å²	56	39 Å²	39	46%	0.463	22%	0.219	S	C	.	.	H	α-helix	trans	-70.1	-16	175.1	0	0	0	0	0	113.3	S172 A173 K174 S178	S172-A176 WeakPolarHBondContact O-CB 3.37Å; S172-A176 PolarHBondContact O-N 2.8Å; A173-A176 PolarHBondContact O-N 2.99Å; K174-A176 VanDerWaalsContact C-N 3.35Å; A176-S178 PolarHBondContact O-N 3.4Å
177	R	93.4	Very high	93	Very high	226 Å²	226	42.8 Å²	42.8	85%	0.853	25%	0.25	S	S	*	.	T	Hydrogen-bonded Turn	trans	65.7	23.5	-173.6	-53.4	153.7	-73.9	-176.1	-5.3	113.3	A173 K174 A175	A173-R177 PolarHBondContact O-N 2.88Å; K174-R177 PolarHBondContact O-N 3.1Å; A175-R177 PolarHBondContact O-N 3.18Å
178	S	91.4	Very high	93	Very high	40 Å²	40	45.7 Å²	45.7	28%	0.28	27%	0.266	S	S	.	.			trans	-101.7	-11.8	174.5	59	0	0	0	0	113.1	A173 A176	A173-S178 PolarHBondContact O-N 3.14Å; A173-S178 PolarHBondContact O-OG 2.97Å; A176-S178 PolarHBondContact O-N 3.4Å
179	G	92.4	Very high	93.1	Very high	15 Å²	15	47 Å²	47	16%	0.155	27%	0.266	C	S	.	.			trans	-65.7	150.7	178.9	0	0	0	0	0	113.5	A173	A173-G179 PolarHBondContact O-N 2.95Å
180	L	95.2	Very high	93.1	Very high	5 Å²	5	51.2 Å²	51.2	3%	0.026	29%	0.291	C	S	.	.			trans	-101.6	144.9	177.3	-63.6	176.2	0	0	0	111.2	I136 F138 F192 R195 Y196 L199	I136-L180 PolarHBondContact N-O 3.23Å; F138-L180 HydrophobicContact CE2-CB 3.98Å; F138-L180 HydrophobicContact CE2-CD1 3.86Å; F138-L180 HydrophobicContact CE2-CG 4.27Å; F138-L180 HydrophobicContact CZ-CB 3.88Å; F138-L180 HydrophobicContact CZ-CD1 3.75Å; F138-L180 HydrophobicContact CZ-CG 4.36Å; L180-F192 HydrophobicContact CB-CE2 4.16Å; L180-F192 HydrophobicContact CD1-CD2 4.23Å; L180-F192 HydrophobicContact CD1-CE2 3.76Å; L180-F192 HydrophobicContact CD1-CZ 4.17Å; L180-F192 HydrophobicContact CG-CE2 4.45Å; L180-R195 HydrophobicContact CD2-CB 3.8Å; L180-Y196 HydrophobicContact CD1-CD2 4.29Å; L180-L199 HydrophobicContact CG-CD2 4.49Å
181	R	96.1	Very high	93	Very high	86 Å²	86	56.2 Å²	56.2	33%	0.325	31%	0.314	S	S	.	.	B	Isolated β-bridge	trans	-116.3	168.3	-177.5	-60.7	170.2	-63.7	173.6	4.6	112.1	A134 C183 D184 L185	A134-R181 CarbonylContact O-C 3.57Å; A134-R181 WeakPolarHBondContact O-CA 3.12Å; A134-R181 VanDerWaalsContact O-CB 3.31Å; A134-R181 WeakPolarHBondContact O-CB 3.27Å; R181-C183 VanDerWaalsContact C-N 3.26Å; R181-C183 PolarHBondContact O-N 3.26Å; R181-D184 WeakPolarHBondContact CB-OD2 3.2Å; R181-D184 PolarHBondContact N-OD2 2.99Å; R181-D184 IonicContact NE-OD2 2.73Å; R181-D184 PolarHBondContact NE-OD2 3.17Å; R181-D184 IonicContact NH2-OD1 2.97Å; R181-D184 IonicContact NH2-OD2 2.73Å; R181-D184 WeakPolarHBondContact O-CB 3.31Å; R181-D184 PolarHBondContact O-N 2.94Å; R181-L185 PolarHBondContact O-N 3.15Å
182	I	95.9	Very high	93	Very high	0 Å²	0	55.1 Å²	55.1	0%	0	31%	0.31	C	S	.	.	H	α-helix	trans	-58	-39.1	177.4	-61	-68	0	0	0	111.6	I102 L104 I130 D132 A134 I136 D184 L185 L186 L228 V232	I102-I182 HydrophobicContact CD1-CD1 4.34Å; I102-I182 HydrophobicContact CD1-CG1 4.32Å; L104-I182 HydrophobicContact CD2-CD1 4.15Å; I130-I182 HydrophobicContact CG2-CG1 4.3Å; D132-I182 PolarHBondContact O-N 3.31Å; A134-I182 HydrophobicContact CB-CG1 4.1Å; A134-I182 PolarHBondContact O-N 3.07Å; I136-I182 HydrophobicContact CD1-CD1 4.19Å; I136-I182 HydrophobicContact CG1-CD1 3.78Å; I136-I182 HydrophobicContact CG1-CG1 4.36Å; I182-D184 VanDerWaalsContact C-N 3.28Å; I182-D184 PolarHBondContact O-N 3.33Å; I182-L185 PolarHBondContact O-N 2.95Å; I182-L186 HydrophobicContact CG2-CD1 4.37Å; I182-L186 PolarHBondContact O-N 2.91Å; I182-L186 VanDerWaalsContact O-N 3.13Å; I182-L228 HydrophobicContact CD1-CD2 4.04Å; I182-L228 HydrophobicContact CG2-CD2 4.02Å; I182-V232 HydrophobicContact CG2-CB 4.32Å; I182-V232 HydrophobicContact CG2-CG1 3.85Å; I182-V232 HydrophobicContact CG2-CG2 3.47Å; I182-V232 VanDerWaalsContact CG2-CG2 3.47Å
183	C	95	Very high	93	Very high	34 Å²	34	52.3 Å²	52.3	23%	0.23	29%	0.29	C	S	.	.	H	α-helix	trans	-61.6	-35.8	175.9	65.4	0	0	0	0	112.6	D132 R181 L185 L186 A187	D132-C183 HydrophobicContact CB-CB 4.04Å; D132-C183 WeakPolarHBondContact O-CB 3.45Å; D132-C183 PolarHBondContact O-N 3.08Å; R181-C183 VanDerWaalsContact C-N 3.26Å; R181-C183 PolarHBondContact O-N 3.26Å; C183-L185 VanDerWaalsContact C-N 3.34Å; C183-L186 PolarHBondContact O-N 2.96Å; C183-A187 WeakPolarHBondContact O-CB 3.38Å; C183-A187 PolarHBondContact O-N 3.43Å
184	D	94.2	Very high	93	Very high	24 Å²	24	56.5 Å²	56.5	13%	0.128	31%	0.313	C	S	.	.	H	α-helix	trans	-69.9	-36	179.8	-57.4	-60.2	0	0	0	110.3	R181 I182 F192 R195	R181-D184 WeakPolarHBondContact CB-OD2 3.2Å; R181-D184 PolarHBondContact N-OD2 2.99Å; R181-D184 IonicContact NE-OD2 2.73Å; R181-D184 PolarHBondContact NE-OD2 3.17Å; R181-D184 IonicContact NH2-OD1 2.97Å; R181-D184 IonicContact NH2-OD2 2.73Å; R181-D184 WeakPolarHBondContact O-CB 3.31Å; R181-D184 PolarHBondContact O-N 2.94Å; I182-D184 VanDerWaalsContact C-N 3.28Å; I182-D184 PolarHBondContact O-N 3.33Å; D184-F192 HydrophobicContact CB-CD2 4.19Å; D184-R195 IonicContact OD1-NH1 2.78Å; D184-R195 PolarHBondContact OD1-NH1 2.87Å
185	L	92.1	Very high	92.9	Very high	3 Å²	3	59.3 Å²	59.3	2%	0.016	32%	0.321	C	S	.	.	H	α-helix	trans	-68.5	-36.4	176.2	177.9	64.5	0	0	0	112.9	L104 I136 R181 I182 C183 F189 F192 L221 V225 L228	L104-L185 HydrophobicContact CD1-CD2 3.55Å; I136-L185 HydrophobicContact CD1-CB 3.86Å; I136-L185 HydrophobicContact CD1-CD2 4Å; R181-L185 PolarHBondContact O-N 3.15Å; I182-L185 PolarHBondContact O-N 2.95Å; C183-L185 VanDerWaalsContact C-N 3.34Å; L185-F189 HydrophobicContact CD1-CE2 4.33Å; L185-F192 HydrophobicContact CB-CD2 4.16Å; L185-F192 HydrophobicContact CB-CE2 3.9Å; L185-F192 HydrophobicContact CB-CZ 4.35Å; L185-F192 HydrophobicContact CD1-CD1 4.04Å; L185-F192 HydrophobicContact CD1-CD2 4.42Å; L185-F192 HydrophobicContact CD1-CE1 3.7Å; L185-F192 HydrophobicContact CD1-CE2 4.09Å; L185-F192 HydrophobicContact CD1-CG 4.39Å; L185-F192 HydrophobicContact CD1-CZ 3.73Å; L185-L221 HydrophobicContact CD1-CB 4.27Å; L185-V225 HydrophobicContact CD1-CG2 3.83Å; L185-V225 HydrophobicContact CD2-CG2 4.45Å; L185-V225 HydrophobicContact CG-CG2 3.93Å; L185-L228 HydrophobicContact CD2-CD2 4Å
186	L	91	Very high	92.9	Very high	52 Å²	52	55.6 Å²	55.6	27%	0.272	29%	0.291	S	S	.	.	H	α-helix	trans	-84.7	-10.4	-177.9	-67.2	-172.7	0	0	0	114.7	I182 C183 V225 L228 K229 V232	I182-L186 HydrophobicContact CG2-CD1 4.37Å; I182-L186 PolarHBondContact O-N 2.91Å; I182-L186 VanDerWaalsContact O-N 3.13Å; C183-L186 PolarHBondContact O-N 2.96Å; L186-V225 HydrophobicContact CD2-CG1 3.98Å; L186-L228 HydrophobicContact CD2-CD2 4.47Å; L186-K229 HydrophobicContact CD2-CB 4.43Å; L186-V232 HydrophobicContact CD1-CB 3.54Å; L186-V232 HydrophobicContact CD1-CG1 3.57Å; L186-V232 HydrophobicContact CD1-CG2 3.78Å
187	A	89.6	Confident	92.9	Very high	79 Å²	79	55.9 Å²	55.9	65%	0.653	28%	0.282	S	S	*	.	S	Bend	trans	-81.9	-119.9	-179.3	0	0	0	0	0	111	C183	C183-A187 WeakPolarHBondContact O-CB 3.38Å; C183-A187 PolarHBondContact O-N 3.43Å
188	D	91.1	Very high	92.9	Very high	67 Å²	67	50.6 Å²	50.6	36%	0.358	27%	0.268	S	S	.	.			trans	-91.8	112.5	175.9	177.5	4.5	0	0	0	110	T190 Q191 F192	D188-T190 PolarHBondContact O-N 3.14Å; D188-T190 WeakPolarHBondContact OD1-CB 3.39Å; D188-T190 PolarHBondContact OD1-N 3.04Å; D188-T190 PolarHBondContact OD1-OG1 3.1Å; D188-T190 VanDerWaalsContact OD1-OG1 3.07Å; D188-Q191 HydrophobicContact CB-CB 4.31Å; D188-Q191 HydrophobicContact CB-CG 4.4Å; D188-Q191 PolarHBondContact O-N 2.66Å; D188-Q191 WeakPolarHBondContact OD2-CG 3.43Å; D188-Q191 PolarHBondContact OD2-NE2 2.7Å; D188-F192 PolarHBondContact O-N 2.91Å
189	F	90.9	Very high	92.9	Very high	51 Å²	51	48.9 Å²	48.9	22%	0.224	26%	0.256	C	S	.	.	H	α-helix	trans	-61	-26.9	-179	-166.9	-95.2	0	0	0	112.9	L185 F192 S193 L218 K222	L185-F189 HydrophobicContact CD1-CE2 4.33Å; F189-F192 HydrophobicContact CD2-CD1 4.42Å; F189-F192 HydrophobicContact CE2-CD1 4.23Å; F189-S193 WeakPolarHBondContact CD1-OG 3.49Å; F189-S193 VanDerWaalsContact CE1-OG 3.29Å; F189-S193 WeakPolarHBondContact CE1-OG 3.37Å; F189-S193 VanDerWaalsContact O-CB 3.32Å; F189-S193 WeakPolarHBondContact O-CB 3.37Å; F189-S193 PolarHBondContact O-N 2.81Å; F189-S193 PolarHBondContact O-OG 3.12Å; F189-L218 HydrophobicContact CZ-CB 4.38Å; F189-L218 HydrophobicContact CZ-CD2 4.36Å; F189-L218 WeakPolarHBondContact CZ-O 3.43Å; F189-K222 HydrophobicContact CD1-CD 4.45Å; F189-K222 HydrophobicContact CD2-CG 4.43Å; F189-K222 HydrophobicContact CE1-CB 4.36Å; F189-K222 HydrophobicContact CE1-CD 4.06Å; F189-K222 HydrophobicContact CE1-CG 4.37Å; F189-K222 HydrophobicContact CE2-CB 3.73Å; F189-K222 HydrophobicContact CE2-CG 4.04Å; F189-K222 HydrophobicContact CZ-CB 3.62Å; F189-K222 HydrophobicContact CZ-CD 4.16Å; F189-K222 HydrophobicContact CZ-CG 4.03Å
190	T	91	Very high	92.8	Very high	90 Å²	90	48.2 Å²	48.2	55%	0.552	25%	0.248	S	C	*	.	H	α-helix	trans	-68.1	-51.2	177.9	-40.6	0	0	0	0	110.2	D188 F192 S193 D194	D188-T190 PolarHBondContact O-N 3.14Å; D188-T190 WeakPolarHBondContact OD1-CB 3.39Å; D188-T190 PolarHBondContact OD1-N 3.04Å; D188-T190 PolarHBondContact OD1-OG1 3.1Å; D188-T190 VanDerWaalsContact OD1-OG1 3.07Å; T190-F192 VanDerWaalsContact C-N 3.31Å; T190-F192 PolarHBondContact O-N 3.15Å; T190-S193 WeakPolarHBondContact O-CB 3.44Å; T190-S193 PolarHBondContact O-N 2.92Å; T190-S193 VanDerWaalsContact O-N 3.15Å; T190-D194 PolarHBondContact O-N 3.04Å
191	Q	92.1	Very high	92.6	Very high	107 Å²	107	53.5 Å²	53.5	50%	0.5	27%	0.273	S	S	.	.	H	α-helix	trans	-63.5	-37.6	176.3	-73.3	177.7	62	0	0	112.3	D188 S193 D194 R195	D188-Q191 HydrophobicContact CB-CB 4.31Å; D188-Q191 HydrophobicContact CB-CG 4.4Å; D188-Q191 PolarHBondContact O-N 2.66Å; D188-Q191 WeakPolarHBondContact OD2-CG 3.43Å; D188-Q191 PolarHBondContact OD2-NE2 2.7Å; Q191-S193 VanDerWaalsContact C-N 3.35Å; Q191-D194 PolarHBondContact O-N 2.65Å; Q191-R195 WeakPolarHBondContact O-CG 3.42Å; Q191-R195 PolarHBondContact O-N 3.36Å; Q191-R195 VanDerWaalsContact O-N 3.12Å
192	F	93.6	Very high	92.3	Very high	3 Å²	3	53.8 Å²	53.8	1%	0.013	28%	0.278	C	S	.	.	H	α-helix	trans	-59.4	-47.3	172.8	176.1	-95	0	0	0	111.3	I136 F138 L180 D184 L185 D188 F189 T190 D194 R195 Y196 L218 L221	I136-F192 HydrophobicContact CD1-CE2 4.36Å; F138-F192 HydrophobicContact CE1-CZ 4.08Å; F138-F192 HydrophobicContact CZ-CE2 4.38Å; F138-F192 AromaticContact CZ-CZ 3.99Å; F138-F192 HydrophobicContact CZ-CZ 3.99Å; L180-F192 HydrophobicContact CB-CE2 4.16Å; L180-F192 HydrophobicContact CD1-CD2 4.23Å; L180-F192 HydrophobicContact CD1-CE2 3.76Å; L180-F192 HydrophobicContact CD1-CZ 4.17Å; L180-F192 HydrophobicContact CG-CE2 4.45Å; D184-F192 HydrophobicContact CB-CD2 4.19Å; L185-F192 HydrophobicContact CB-CD2 4.16Å; L185-F192 HydrophobicContact CB-CE2 3.9Å; L185-F192 HydrophobicContact CB-CZ 4.35Å; L185-F192 HydrophobicContact CD1-CD1 4.04Å; L185-F192 HydrophobicContact CD1-CD2 4.42Å; L185-F192 HydrophobicContact CD1-CE1 3.7Å; L185-F192 HydrophobicContact CD1-CE2 4.09Å; L185-F192 HydrophobicContact CD1-CG 4.39Å; L185-F192 HydrophobicContact CD1-CZ 3.73Å; D188-F192 PolarHBondContact O-N 2.91Å; F189-F192 HydrophobicContact CD2-CD1 4.42Å; F189-F192 HydrophobicContact CE2-CD1 4.23Å; T190-F192 VanDerWaalsContact C-N 3.31Å; T190-F192 PolarHBondContact O-N 3.15Å; F192-D194 VanDerWaalsContact C-N 3.35Å; F192-D194 PolarHBondContact O-N 3.03Å; F192-R195 PolarHBondContact O-N 3.4Å; F192-Y196 VanDerWaalsContact O-CB 3.28Å; F192-Y196 WeakPolarHBondContact O-CB 3.2Å; F192-Y196 PolarHBondContact O-N 3.33Å; F192-L218 HydrophobicContact CD1-CD2 4.16Å; F192-L218 HydrophobicContact CE1-CD2 3.92Å; F192-L221 HydrophobicContact CE1-CD1 3.98Å; F192-L221 HydrophobicContact CZ-CD1 4.08Å
193	S	93.1	Very high	92	Very high	15 Å²	15	54.5 Å²	54.5	11%	0.105	28%	0.281	C	S	.	.	H	α-helix	trans	-61.4	-41.3	-179.8	-61.4	0	0	0	0	112.3	F189 T190 Q191 Y196 K197	F189-S193 WeakPolarHBondContact CD1-OG 3.49Å; F189-S193 VanDerWaalsContact CE1-OG 3.29Å; F189-S193 WeakPolarHBondContact CE1-OG 3.37Å; F189-S193 VanDerWaalsContact O-CB 3.32Å; F189-S193 WeakPolarHBondContact O-CB 3.37Å; F189-S193 PolarHBondContact O-N 2.81Å; F189-S193 PolarHBondContact O-OG 3.12Å; T190-S193 WeakPolarHBondContact O-CB 3.44Å; T190-S193 PolarHBondContact O-N 2.92Å; T190-S193 VanDerWaalsContact O-N 3.15Å; Q191-S193 VanDerWaalsContact C-N 3.35Å; S193-Y196 PolarHBondContact O-N 2.79Å; S193-K197 WeakPolarHBondContact O-CB 3.39Å; S193-K197 VanDerWaalsContact O-CG 3.27Å; S193-K197 WeakPolarHBondContact O-CG 3.48Å; S193-K197 PolarHBondContact O-N 3.33Å
194	D	93.4	Very high	91.8	Very high	91 Å²	91	56.1 Å²	56.1	49%	0.487	29%	0.285	S	S	.	.	H	α-helix	trans	-64.7	-45.9	177.3	-69.7	-23.3	0	0	0	111.7	T190 Q191 F192 Y196 K197 M198	T190-D194 PolarHBondContact O-N 3.04Å; Q191-D194 PolarHBondContact O-N 2.65Å; F192-D194 VanDerWaalsContact C-N 3.35Å; F192-D194 PolarHBondContact O-N 3.03Å; D194-Y196 VanDerWaalsContact C-N 3.33Å; D194-Y196 PolarHBondContact O-N 3.38Å; D194-K197 PolarHBondContact O-N 3.41Å; D194-M198 WeakPolarHBondContact O-CG 3.33Å; D194-M198 PolarHBondContact O-N 3.49Å
195	R	92.9	Very high	91.6	Very high	123 Å²	123	58.9 Å²	58.9	46%	0.464	31%	0.311	S	S	.	.	H	α-helix	trans	-65.6	-37.7	176.8	-66.9	179.2	-178.3	174.4	4.6	112.1	L180 D184 Q191 F192 M198 L199	L180-R195 HydrophobicContact CD2-CB 3.8Å; D184-R195 IonicContact OD1-NH1 2.78Å; D184-R195 PolarHBondContact OD1-NH1 2.87Å; Q191-R195 WeakPolarHBondContact O-CG 3.42Å; Q191-R195 PolarHBondContact O-N 3.36Å; Q191-R195 VanDerWaalsContact O-N 3.12Å; F192-R195 PolarHBondContact O-N 3.4Å; R195-M198 PolarHBondContact O-N 2.86Å; R195-L199 WeakPolarHBondContact O-CB 3.25Å; R195-L199 PolarHBondContact O-N 3.31Å
196	Y	93.5	Very high	91.3	Very high	0 Å²	0	63.9 Å²	63.9	0%	0	34%	0.336	C	S	.	.	H	α-helix	trans	-61.4	-47.2	174.8	178.3	-88.4	0	0	0	111.1	F138 F140 L180 F192 S193 D194 M198 L199 A200 I214 E217 L218 L221	F138-Y196 HydrophobicContact CB-CE2 4.41Å; F138-Y196 HydrophobicContact CD1-CD2 4.21Å; F138-Y196 AromaticContact CD1-CE2 3.65Å; F138-Y196 HydrophobicContact CD1-CE2 3.65Å; F138-Y196 HydrophobicContact CD2-CD2 4.32Å; F138-Y196 HydrophobicContact CD2-CE2 4.06Å; F138-Y196 AromaticContact CE1-CD2 3.9Å; F138-Y196 HydrophobicContact CE1-CD2 3.9Å; F138-Y196 AromaticContact CE1-CE2 3.82Å; F138-Y196 HydrophobicContact CE1-CE2 3.82Å; F138-Y196 HydrophobicContact CE2-CD2 4.04Å; F138-Y196 HydrophobicContact CE2-CE2 4.22Å; F138-Y196 HydrophobicContact CG-CD2 4.42Å; F138-Y196 AromaticContact CG-CE2 3.79Å; F138-Y196 HydrophobicContact CG-CE2 3.79Å; F138-Y196 AromaticContact CZ-CD2 3.82Å; F138-Y196 HydrophobicContact CZ-CD2 3.82Å; F138-Y196 HydrophobicContact CZ-CE2 4.11Å; F140-Y196 HydrophobicContact CD1-CE2 4.37Å; F140-Y196 HydrophobicContact CE1-CD2 4.38Å; F140-Y196 AromaticContact CE1-CE2 3.56Å; F140-Y196 HydrophobicContact CE1-CE2 3.56Å; F140-Y196 AromaticContact CE1-CZ 3.72Å; F140-Y196 HydrophobicContact CZ-CE2 4.48Å; L180-Y196 HydrophobicContact CD1-CD2 4.29Å; F192-Y196 VanDerWaalsContact O-CB 3.28Å; F192-Y196 WeakPolarHBondContact O-CB 3.2Å; F192-Y196 PolarHBondContact O-N 3.33Å; S193-Y196 PolarHBondContact O-N 2.79Å; D194-Y196 VanDerWaalsContact C-N 3.33Å; D194-Y196 PolarHBondContact O-N 3.38Å; Y196-M198 VanDerWaalsContact C-N 3.34Å; Y196-M198 PolarHBondContact O-N 2.91Å; Y196-L199 PolarHBondContact O-N 3.43Å; Y196-A200 WeakPolarHBondContact O-CB 3.28Å; Y196-A200 PolarHBondContact O-N 2.77Å; Y196-I214 HydrophobicContact CD1-CG2 4.06Å; Y196-I214 HydrophobicContact CE1-CB 4.43Å; Y196-I214 HydrophobicContact CE1-CG2 3.9Å; Y196-E217 VanDerWaalsContact OH-CB 3.25Å; Y196-E217 WeakPolarHBondContact OH-CB 3.35Å; Y196-E217 PolarHBondContact OH-OE2 3.49Å; Y196-L218 HydrophobicContact CD1-CD1 4.14Å; Y196-L218 HydrophobicContact CD1-CD2 3.69Å; Y196-L218 HydrophobicContact CD1-CG 3.79Å; Y196-L218 HydrophobicContact CD2-CD2 4.45Å; Y196-L218 HydrophobicContact CE1-CD2 4.3Å; Y196-L218 HydrophobicContact CE1-CG 4.07Å; Y196-L218 HydrophobicContact CG-CD2 3.8Å; Y196-L218 HydrophobicContact CG-CG 4.41Å; Y196-L221 HydrophobicContact CD2-CD1 4.38Å; Y196-L221 HydrophobicContact CE2-CD1 4.11Å
197	K	93.4	Very high	91.2	Very high	63 Å²	63	63 Å²	63	27%	0.274	33%	0.329	S	S	.	.	H	α-helix	trans	-57.4	-45.8	175.2	-78.3	171.8	-178.9	-170	0	111.8	S193 D194 A200 Q201 I214 E215	S193-K197 WeakPolarHBondContact O-CB 3.39Å; S193-K197 VanDerWaalsContact O-CG 3.27Å; S193-K197 WeakPolarHBondContact O-CG 3.48Å; S193-K197 PolarHBondContact O-N 3.33Å; D194-K197 PolarHBondContact O-N 3.41Å; K197-A200 PolarHBondContact O-N 3.33Å; K197-Q201 WeakPolarHBondContact O-CB 3.27Å; K197-Q201 VanDerWaalsContact O-CG 3.26Å; K197-Q201 WeakPolarHBondContact O-CG 3.42Å; K197-Q201 PolarHBondContact O-N 3.34Å; K197-I214 HydrophobicContact CD-CG2 4.44Å; K197-I214 HydrophobicContact CG-CG2 3.61Å; K197-E215 VanDerWaalsContact CE-OE1 3.23Å; K197-E215 WeakPolarHBondContact CE-OE1 3.37Å; K197-E215 IonicContact NZ-OE1 3.95Å; K197-E215 PolarHBondContact NZ-OE1 2.85Å
198	M	92.2	Very high	90.9	Very high	114 Å²	114	64.8 Å²	64.8	56%	0.562	33%	0.334	S	S	*	.	H	α-helix	trans	-61.1	-44.7	176.1	-71.2	-179.9	67.1	0	0	112.1	D194 R195 Y196 Q201 Q202	D194-M198 WeakPolarHBondContact O-CG 3.33Å; D194-M198 PolarHBondContact O-N 3.49Å; R195-M198 PolarHBondContact O-N 2.86Å; Y196-M198 VanDerWaalsContact C-N 3.34Å; Y196-M198 PolarHBondContact O-N 2.91Å; M198-Q201 PolarHBondContact O-N 3.47Å; M198-Q202 WeakPolarHBondContact O-CG 3.25Å; M198-Q202 PolarHBondContact O-N 3.25Å
199	L	92.4	Very high	90.6	Very high	5 Å²	5	66.7 Å²	66.7	3%	0.026	35%	0.348	C	S	.	.	H	α-helix	trans	-63.7	-46.4	178.7	-173.4	63	0	0	0	111.2	F138 F140 L180 R195 Y196 Q201 Q202 Y203	F138-L199 HydrophobicContact CD2-CD2 4.4Å; F138-L199 HydrophobicContact CE2-CD2 4.16Å; F140-L199 HydrophobicContact CE2-CD2 4.47Å; F140-L199 HydrophobicContact CE2-CG 4.39Å; F140-L199 HydrophobicContact CZ-CD2 3.96Å; F140-L199 HydrophobicContact CZ-CG 4.1Å; L180-L199 HydrophobicContact CG-CD2 4.49Å; R195-L199 WeakPolarHBondContact O-CB 3.25Å; R195-L199 PolarHBondContact O-N 3.31Å; Y196-L199 PolarHBondContact O-N 3.43Å; L199-Q201 PolarHBondContact O-N 3Å; L199-Q202 WeakPolarHBondContact O-CB 3.38Å; L199-Q202 PolarHBondContact O-N 2.87Å; L199-Y203 HydrophobicContact CD1-CD2 4.11Å; L199-Y203 HydrophobicContact CD1-CE2 3.68Å; L199-Y203 HydrophobicContact CG-CD2 4.09Å; L199-Y203 HydrophobicContact CG-CE2 3.93Å; L199-Y203 VanDerWaalsContact O-CD2 3.29Å; L199-Y203 WeakPolarHBondContact O-CD2 3Å; L199-Y203 PolarHBondContact O-N 3.36Å; L199-Y203 VanDerWaalsContact O-N 3.09Å
200	A	91.1	Very high	90.3	Very high	0 Å²	0	64.9 Å²	64.9	0%	0	34%	0.341	C	S	.	.	H	α-helix	trans	-59	-44.7	177	0	0	0	0	0	112	Y196 K197 Q202 Y203 Q204 I212 I214	Y196-A200 WeakPolarHBondContact O-CB 3.28Å; Y196-A200 PolarHBondContact O-N 2.77Å; K197-A200 PolarHBondContact O-N 3.33Å; A200-Q202 PolarHBondContact O-N 2.73Å; A200-Y203 PolarHBondContact O-N 3.21Å; A200-Q204 WeakPolarHBondContact O-CG 3.45Å; A200-Q204 PolarHBondContact O-N 3.15Å; A200-I212 HydrophobicContact CB-CD1 3.9Å; A200-I212 HydrophobicContact CB-CG2 4.38Å; A200-I214 HydrophobicContact CB-CD1 4.11Å; A200-I214 HydrophobicContact CB-CG1 4.16Å
201	Q	90	Very high	90.1	Very high	117 Å²	117	69.8 Å²	69.8	55%	0.547	36%	0.358	S	S	.	.	H	α-helix	trans	-62.5	-39.3	176.5	-74.7	173.4	-0.9	0	0	112.7	K197 M198 L199 Y203 Q204 A205	K197-Q201 WeakPolarHBondContact O-CB 3.27Å; K197-Q201 VanDerWaalsContact O-CG 3.26Å; K197-Q201 WeakPolarHBondContact O-CG 3.42Å; K197-Q201 PolarHBondContact O-N 3.34Å; M198-Q201 PolarHBondContact O-N 3.47Å; L199-Q201 PolarHBondContact O-N 3Å; Q201-Y203 VanDerWaalsContact C-N 3.34Å; Q201-Y203 PolarHBondContact O-N 3.1Å; Q201-Q204 PolarHBondContact O-N 3.23Å; Q201-A205 WeakPolarHBondContact O-CB 3.23Å; Q201-A205 PolarHBondContact O-N 3.39Å
202	Q	90.2	Very high	89.8	Confident	92 Å²	92	65.7 Å²	65.7	43%	0.43	34%	0.339	S	S	.	.	H	α-helix	trans	-61.5	-43.1	174.4	-73.6	175.3	-3.3	0	0	111.5	M198 L199 A200 A205 M206	M198-Q202 WeakPolarHBondContact O-CG 3.25Å; M198-Q202 PolarHBondContact O-N 3.25Å; L199-Q202 WeakPolarHBondContact O-CB 3.38Å; L199-Q202 PolarHBondContact O-N 2.87Å; A200-Q202 PolarHBondContact O-N 2.73Å; Q202-A205 PolarHBondContact O-N 2.99Å; Q202-M206 WeakPolarHBondContact O-CE 3.23Å; Q202-M206 WeakPolarHBondContact O-CG 3.36Å; Q202-M206 PolarHBondContact O-N 2.8Å
203	Y	90	Very high	89.7	Confident	15 Å²	15	70.6 Å²	70.6	6%	0.059	37%	0.365	C	S	.	.	H	α-helix	trans	-67.3	-38.5	176.2	-82.3	-75.5	0	0	0	112.8	F140 H141 V144 P169 L199 A200 Q201 A205 M206 Y207	F140-Y203 AromaticContact CD2-CD2 3.94Å; F140-Y203 HydrophobicContact CD2-CD2 3.94Å; F140-Y203 HydrophobicContact CD2-CE2 4.44Å; F140-Y203 HydrophobicContact CD2-CG 4.2Å; F140-Y203 AromaticContact CE2-CD2 3.46Å; F140-Y203 HydrophobicContact CE2-CD2 3.46Å; F140-Y203 VanDerWaalsContact CE2-CD2 3.46Å; F140-Y203 AromaticContact CE2-CE2 3.73Å; F140-Y203 HydrophobicContact CE2-CE2 3.73Å; F140-Y203 HydrophobicContact CE2-CG 4.18Å; F140-Y203 HydrophobicContact CZ-CD2 4.44Å; H141-Y203 AromaticContact CD2-CE2 3.8Å; H141-Y203 AromaticContact CD2-CZ 3.69Å; H141-Y203 AromaticContact NE2-CE2 3.48Å; H141-Y203 WeakPolarHBondContact NE2-CE2 3.42Å; H141-Y203 AromaticContact NE2-CZ 3.69Å; H141-Y203 PolarHBondContact NE2-OH 2.79Å; V144-Y203 HydrophobicContact CB-CD1 4.46Å; V144-Y203 HydrophobicContact CG1-CD1 4.16Å; V144-Y203 HydrophobicContact CG1-CE1 4.11Å; V144-Y203 HydrophobicContact CG2-CD1 3.7Å; V144-Y203 HydrophobicContact CG2-CE1 4.3Å; V144-Y203 HydrophobicContact CG2-CG 4.35Å; P169-Y203 PolarHBondContact O-OH 2.77Å; L199-Y203 HydrophobicContact CD1-CD2 4.11Å; L199-Y203 HydrophobicContact CD1-CE2 3.68Å; L199-Y203 HydrophobicContact CG-CD2 4.09Å; L199-Y203 HydrophobicContact CG-CE2 3.93Å; L199-Y203 VanDerWaalsContact O-CD2 3.29Å; L199-Y203 WeakPolarHBondContact O-CD2 3Å; L199-Y203 PolarHBondContact O-N 3.36Å; L199-Y203 VanDerWaalsContact O-N 3.09Å; A200-Y203 PolarHBondContact O-N 3.21Å; Q201-Y203 VanDerWaalsContact C-N 3.34Å; Q201-Y203 PolarHBondContact O-N 3.1Å; Y203-A205 VanDerWaalsContact C-N 3.33Å; Y203-A205 PolarHBondContact O-N 3.1Å; Y203-M206 HydrophobicContact CD1-CE 3.88Å; Y203-M206 HydrophobicContact CE1-CE 4.12Å; Y203-M206 HydrophobicContact CG-CE 4.21Å; Y203-M206 PolarHBondContact O-N 2.76Å; Y203-Y207 HydrophobicContact CD1-CD2 4.19Å; Y203-Y207 HydrophobicContact CD1-CE2 4.15Å; Y203-Y207 WeakPolarHBondContact O-CB 3.33Å; Y203-Y207 WeakPolarHBondContact O-CD2 3.27Å; Y203-Y207 PolarHBondContact O-N 3.02Å
204	Q	89.4	Confident	89.5	Confident	67 Å²	67	71.4 Å²	71.4	31%	0.313	37%	0.368	S	S	.	.	H	α-helix	trans	-63.1	-38.6	173.2	-74.7	178.7	-23.4	0	0	112.3	A200 Q201 M206 Y207 I212	A200-Q204 WeakPolarHBondContact O-CG 3.45Å; A200-Q204 PolarHBondContact O-N 3.15Å; Q201-Q204 PolarHBondContact O-N 3.23Å; Q204-M206 VanDerWaalsContact C-N 3.35Å; Q204-Y207 CarbonylContact O-C 3.58Å; Q204-Y207 PolarHBondContact O-N 2.79Å; Q204-I212 HydrophobicContact CG-CD1 3.79Å; Q204-I212 HydrophobicContact CG-CG1 4.13Å
205	A	89.6	Confident	89.3	Confident	83 Å²	83	72.1 Å²	72.1	69%	0.686	37%	0.368	S	S	*	.	H	α-helix	trans	-66.8	-36.2	176.1	0	0	0	0	0	112.4	Q201 Q202 Y203	Q201-A205 WeakPolarHBondContact O-CB 3.23Å; Q201-A205 PolarHBondContact O-N 3.39Å; Q202-A205 PolarHBondContact O-N 2.99Å; Y203-A205 VanDerWaalsContact C-N 3.33Å; Y203-A205 PolarHBondContact O-N 3.1Å
206	M	87.6	Confident	89.2	Confident	108 Å²	108	67 Å²	67	53%	0.532	36%	0.355	S	S	.	.	H	α-helix	trans	-76.1	-33	175.4	-71.8	-174.4	-74.2	0	0	112.9	Q202 Y203 Q204	Q202-M206 WeakPolarHBondContact O-CE 3.23Å; Q202-M206 WeakPolarHBondContact O-CG 3.36Å; Q202-M206 PolarHBondContact O-N 2.8Å; Y203-M206 HydrophobicContact CD1-CE 3.88Å; Y203-M206 HydrophobicContact CE1-CE 4.12Å; Y203-M206 HydrophobicContact CG-CE 4.21Å; Y203-M206 PolarHBondContact O-N 2.76Å; Q204-M206 VanDerWaalsContact C-N 3.35Å
207	Y	87.7	Confident	89	Confident	33 Å²	33	68 Å²	68	13%	0.129	36%	0.359	C	S	.	.			trans	-128.9	86.5	-176.3	-58.7	-76.9	0	0	0	110.1	V144 V147 Q148 Y203 Q204 T209 L210	V144-Y207 HydrophobicContact CG1-CD2 3.95Å; V144-Y207 HydrophobicContact CG1-CE2 3.52Å; V144-Y207 HydrophobicContact CG2-CD2 3.97Å; V144-Y207 HydrophobicContact CG2-CE2 4.36Å; V147-Y207 HydrophobicContact CG1-CD1 3.92Å; Q148-Y207 HydrophobicContact CG-CE1 3.99Å; Q148-Y207 WeakPolarHBondContact CG-OH 3.37Å; Q148-Y207 PolarHBondContact NE2-OH 2.7Å; Y203-Y207 HydrophobicContact CD1-CD2 4.19Å; Y203-Y207 HydrophobicContact CD1-CE2 4.15Å; Y203-Y207 WeakPolarHBondContact O-CB 3.33Å; Y203-Y207 WeakPolarHBondContact O-CD2 3.27Å; Y203-Y207 PolarHBondContact O-N 3.02Å; Q204-Y207 CarbonylContact O-C 3.58Å; Q204-Y207 PolarHBondContact O-N 2.79Å; Y207-T209 PolarHBondContact O-N 2.86Å; Y207-L210 WeakPolarHBondContact O-CB 3.35Å; Y207-L210 PolarHBondContact O-N 3.3Å
208	P	84.1	Confident	88.9	Confident	117 Å²	117	65.1 Å²	65.1	76%	0.76	35%	0.347	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.1	-18.6	-175.9	-24.4	34.3	0	0	0	114.7	L210	P208-L210 VanDerWaalsContact C-N 3.28Å
209	T	83.3	Confident	88.9	Confident	107 Å²	107	64.8 Å²	64.8	66%	0.656	35%	0.347	S	S	*	.	T	Hydrogen-bonded Turn	trans	-83.3	-2	177.3	55.5	0	0	0	0	113.4	Y207	Y207-T209 PolarHBondContact O-N 2.86Å
210	L	85.4	Confident	88.8	Confident	13 Å²	13	69.8 Å²	69.8	7%	0.068	37%	0.369	C	S	.	.			trans	-88.8	109.9	-175.7	-173.3	71.9	0	0	0	110.7	F140 A143 V144 Y207 P208 I212	F140-L210 HydrophobicContact CB-CD2 4.39Å; A143-L210 HydrophobicContact CB-CD1 3.47Å; A143-L210 VanDerWaalsContact CB-CD1 3.47Å; V144-L210 HydrophobicContact CG2-CD1 4.12Å; V144-L210 HydrophobicContact CG2-CD2 3.53Å; V144-L210 HydrophobicContact CG2-CG 4.47Å; Y207-L210 WeakPolarHBondContact O-CB 3.35Å; Y207-L210 PolarHBondContact O-N 3.3Å; P208-L210 VanDerWaalsContact C-N 3.28Å; L210-I212 HydrophobicContact CD2-CD1 3.67Å; L210-I212 HydrophobicContact CD2-CG1 3.91Å; L210-I212 HydrophobicContact CG-CD1 4.17Å; L210-I212 HydrophobicContact CG-CG1 3.82Å
211	E	86.1	Confident	88.7	Confident	193 Å²	193	70.3 Å²	70.3	90%	0.902	37%	0.371	S	S	*	.			trans	-86.2	127.5	168.3	-64.7	-175.2	173	0	0	109.5
212	I	87.3	Confident	88.8	Confident	21 Å²	21	70.4 Å²	70.4	11%	0.108	37%	0.37	C	S	.	.			trans	-126.8	120.5	178.6	-51.4	179.6	0	0	0	108.3	F140 A200 Q204 L210 I214	F140-I212 HydrophobicContact CB-CD1 3.66Å; F140-I212 HydrophobicContact CB-CG1 3.84Å; F140-I212 HydrophobicContact CB-CG2 4.28Å; F140-I212 HydrophobicContact CD1-CD1 4.36Å; F140-I212 HydrophobicContact CD1-CG2 4.24Å; F140-I212 HydrophobicContact CD2-CD1 4.48Å; F140-I212 HydrophobicContact CG-CD1 3.95Å; A200-I212 HydrophobicContact CB-CD1 3.9Å; A200-I212 HydrophobicContact CB-CG2 4.38Å; Q204-I212 HydrophobicContact CG-CD1 3.79Å; Q204-I212 HydrophobicContact CG-CG1 4.13Å; L210-I212 HydrophobicContact CD2-CD1 3.67Å; L210-I212 HydrophobicContact CD2-CG1 3.91Å; L210-I212 HydrophobicContact CG-CD1 4.17Å; L210-I212 HydrophobicContact CG-CG1 3.82Å; I212-I214 HydrophobicContact CB-CG1 4.43Å; I212-I214 HydrophobicContact CG2-CG1 3.97Å; I212-I214 PolarHBondContact O-N 3.05Å
213	D	90.1	Very high	88.8	Confident	106 Å²	106	69.4 Å²	69.4	57%	0.567	38%	0.378	S	S	*	.			trans	-84.4	85	168.9	179.2	14.6	0	0	0	109.6	G216 E217	D213-G216 PolarHBondContact OD1-N 3.16Å; D213-G216 VanDerWaalsContact OD1-N 3.09Å; D213-G216 WeakPolarHBondContact OD2-CA 3.41Å; D213-E217 WeakPolarHBondContact O-CB 3.34Å; D213-E217 PolarHBondContact O-N 3.5Å
214	I	89.1	Confident	88.8	Confident	32 Å²	32	70.9 Å²	70.9	16%	0.164	38%	0.383	C	S	.	.	H	α-helix	trans	-60.8	-48.4	-173.9	-63	178.8	0	0	0	111.5	Y196 K197 A200 I212 L218	Y196-I214 HydrophobicContact CD1-CG2 4.06Å; Y196-I214 HydrophobicContact CE1-CB 4.43Å; Y196-I214 HydrophobicContact CE1-CG2 3.9Å; K197-I214 HydrophobicContact CD-CG2 4.44Å; K197-I214 HydrophobicContact CG-CG2 3.61Å; A200-I214 HydrophobicContact CB-CD1 4.11Å; A200-I214 HydrophobicContact CB-CG1 4.16Å; I212-I214 HydrophobicContact CB-CG1 4.43Å; I212-I214 HydrophobicContact CG2-CG1 3.97Å; I212-I214 PolarHBondContact O-N 3.05Å; I214-L218 HydrophobicContact CG2-CD1 4.07Å; I214-L218 WeakPolarHBondContact O-CB 3.23Å; I214-L218 VanDerWaalsContact O-CG 3.3Å; I214-L218 WeakPolarHBondContact O-CG 3.41Å; I214-L218 PolarHBondContact O-N 3.11Å
215	E	90.2	Very high	88.9	Confident	105 Å²	105	68.7 Å²	68.7	49%	0.491	38%	0.375	S	S	.	.	H	α-helix	trans	-70.7	-41.6	-175.1	-63.8	-66.2	148	0	0	110.4	K197 E217 L218 D219	K197-E215 VanDerWaalsContact CE-OE1 3.23Å; K197-E215 WeakPolarHBondContact CE-OE1 3.37Å; K197-E215 IonicContact NZ-OE1 3.95Å; K197-E215 PolarHBondContact NZ-OE1 2.85Å; E215-E217 PolarHBondContact O-N 3.26Å; E215-L218 PolarHBondContact O-N 3.33Å; E215-D219 PolarHBondContact O-N 3.3Å
216	G	90.1	Very high	88.8	Confident	17 Å²	17	71.4 Å²	71.4	18%	0.175	37%	0.373	C	S	.	.	H	α-helix	trans	-65.3	-37.4	176.5	0	0	0	0	0	113.9	D213 K220	D213-G216 PolarHBondContact OD1-N 3.16Å; D213-G216 VanDerWaalsContact OD1-N 3.09Å; D213-G216 WeakPolarHBondContact OD2-CA 3.41Å; G216-K220 WeakPolarHBondContact O-CG 3.39Å; G216-K220 PolarHBondContact O-N 3.43Å
217	E	89.8	Confident	88.9	Confident	19 Å²	19	71.1 Å²	71.1	9%	0.089	37%	0.366	C	S	.	.	H	α-helix	trans	-67.7	-41	173.1	-77.7	-167.7	-126.2	0	0	111.9	D139 Y196 D213 E215 K220 L221	D139-E217 PolarHBondContact N-OE2 2.98Å; Y196-E217 VanDerWaalsContact OH-CB 3.25Å; Y196-E217 WeakPolarHBondContact OH-CB 3.35Å; Y196-E217 PolarHBondContact OH-OE2 3.49Å; D213-E217 WeakPolarHBondContact O-CB 3.34Å; D213-E217 PolarHBondContact O-N 3.5Å; E215-E217 PolarHBondContact O-N 3.26Å; E217-K220 PolarHBondContact O-N 3.43Å; E217-L221 WeakPolarHBondContact O-CB 3.09Å; E217-L221 VanDerWaalsContact O-CG 3.24Å; E217-L221 WeakPolarHBondContact O-CG 3.27Å; E217-L221 PolarHBondContact O-N 2.81Å
218	L	91.6	Very high	89.1	Confident	4 Å²	4	69.6 Å²	69.6	2%	0.021	36%	0.36	C	S	.	.	H	α-helix	trans	-62.3	-43.3	176.2	-76	173.6	0	0	0	112.1	F189 F192 Y196 I214 E215 K220 L221 K222	F189-L218 HydrophobicContact CZ-CB 4.38Å; F189-L218 HydrophobicContact CZ-CD2 4.36Å; F189-L218 WeakPolarHBondContact CZ-O 3.43Å; F192-L218 HydrophobicContact CD1-CD2 4.16Å; F192-L218 HydrophobicContact CE1-CD2 3.92Å; Y196-L218 HydrophobicContact CD1-CD1 4.14Å; Y196-L218 HydrophobicContact CD1-CD2 3.69Å; Y196-L218 HydrophobicContact CD1-CG 3.79Å; Y196-L218 HydrophobicContact CD2-CD2 4.45Å; Y196-L218 HydrophobicContact CE1-CD2 4.3Å; Y196-L218 HydrophobicContact CE1-CG 4.07Å; Y196-L218 HydrophobicContact CG-CD2 3.8Å; Y196-L218 HydrophobicContact CG-CG 4.41Å; I214-L218 HydrophobicContact CG2-CD1 4.07Å; I214-L218 WeakPolarHBondContact O-CB 3.23Å; I214-L218 VanDerWaalsContact O-CG 3.3Å; I214-L218 WeakPolarHBondContact O-CG 3.41Å; I214-L218 PolarHBondContact O-N 3.11Å; E215-L218 PolarHBondContact O-N 3.33Å; L218-K220 PolarHBondContact O-N 3.5Å; L218-L221 PolarHBondContact O-N 3.42Å; L218-K222 WeakPolarHBondContact O-CB 3.29Å; L218-K222 PolarHBondContact O-N 2.91Å
219	D	91.7	Very high	89.4	Confident	106 Å²	106	70.4 Å²	70.4	57%	0.567	35%	0.352	S	S	*	.	H	α-helix	trans	-62.2	-41.8	177.1	-82.2	-19.8	0	0	0	112.2	E215 K222 A223	E215-D219 PolarHBondContact O-N 3.3Å; D219-K222 WeakPolarHBondContact O-CB 3.3Å; D219-K222 PolarHBondContact O-N 2.9Å; D219-A223 PolarHBondContact O-N 3.17Å; D219-A223 VanDerWaalsContact O-N 3.13Å
220	K	90.1	Very high	89.9	Confident	111 Å²	111	70 Å²	70	48%	0.483	35%	0.351	S	S	.	.	H	α-helix	trans	-61.5	-47.2	173.2	-72.7	169.1	-175.9	170.6	0	111.5	G216 E217 L218 K222 A223 Y224	G216-K220 WeakPolarHBondContact O-CG 3.39Å; G216-K220 PolarHBondContact O-N 3.43Å; E217-K220 PolarHBondContact O-N 3.43Å; L218-K220 PolarHBondContact O-N 3.5Å; K220-K222 VanDerWaalsContact C-N 3.29Å; K220-K222 PolarHBondContact O-N 3.16Å; K220-A223 WeakPolarHBondContact O-CB 3.37Å; K220-A223 PolarHBondContact O-N 3.18Å; K220-Y224 WeakPolarHBondContact O-CD2 3.48Å; K220-Y224 PolarHBondContact O-N 2.86Å
221	L	90.3	Very high	90.4	Very high	10 Å²	10	69.6 Å²	69.6	5%	0.052	35%	0.349	C	S	.	.	H	α-helix	trans	-60.4	-40.4	178.8	-72.1	169.3	0	0	0	111.4	L104 F138 L185 F192 Y196 E217 L218 A223 Y224 V225	L104-L221 HydrophobicContact CD1-CD2 3.82Å; F138-L221 HydrophobicContact CD1-CD1 3.96Å; F138-L221 HydrophobicContact CD1-CD2 4.47Å; F138-L221 HydrophobicContact CE1-CD1 3.65Å; F138-L221 HydrophobicContact CE1-CD2 4.27Å; L185-L221 HydrophobicContact CD1-CB 4.27Å; F192-L221 HydrophobicContact CE1-CD1 3.98Å; F192-L221 HydrophobicContact CZ-CD1 4.08Å; Y196-L221 HydrophobicContact CD2-CD1 4.38Å; Y196-L221 HydrophobicContact CE2-CD1 4.11Å; E217-L221 WeakPolarHBondContact O-CB 3.09Å; E217-L221 VanDerWaalsContact O-CG 3.24Å; E217-L221 WeakPolarHBondContact O-CG 3.27Å; E217-L221 PolarHBondContact O-N 2.81Å; L218-L221 PolarHBondContact O-N 3.42Å; L221-A223 VanDerWaalsContact C-N 3.33Å; L221-A223 PolarHBondContact O-N 2.88Å; L221-Y224 PolarHBondContact O-N 2.93Å; L221-Y224 VanDerWaalsContact O-N 3.12Å; L221-V225 PolarHBondContact O-N 2.77Å
222	K	90.4	Very high	90.8	Very high	120 Å²	120	61.5 Å²	61.5	52%	0.522	31%	0.312	S	S	.	.	H	α-helix	trans	-60.2	-41.4	175.7	-165.7	176.1	-179.4	178.6	0	112.2	F189 L218 D219 K220 Y224 V225	F189-K222 HydrophobicContact CD1-CD 4.45Å; F189-K222 HydrophobicContact CD2-CG 4.43Å; F189-K222 HydrophobicContact CE1-CB 4.36Å; F189-K222 HydrophobicContact CE1-CD 4.06Å; F189-K222 HydrophobicContact CE1-CG 4.37Å; F189-K222 HydrophobicContact CE2-CB 3.73Å; F189-K222 HydrophobicContact CE2-CG 4.04Å; F189-K222 HydrophobicContact CZ-CB 3.62Å; F189-K222 HydrophobicContact CZ-CD 4.16Å; F189-K222 HydrophobicContact CZ-CG 4.03Å; L218-K222 WeakPolarHBondContact O-CB 3.29Å; L218-K222 PolarHBondContact O-N 2.91Å; D219-K222 WeakPolarHBondContact O-CB 3.3Å; D219-K222 PolarHBondContact O-N 2.9Å; K220-K222 VanDerWaalsContact C-N 3.29Å; K220-K222 PolarHBondContact O-N 3.16Å; K222-Y224 VanDerWaalsContact C-N 3.25Å; K222-Y224 PolarHBondContact O-N 3.49Å; K222-V225 WeakPolarHBondContact O-CB 3.37Å; K222-V225 PolarHBondContact O-N 2.59Å
223	A	91.1	Very high	91.2	Very high	71 Å²	71	66.8 Å²	66.8	59%	0.587	33%	0.331	S	S	*	.	H	α-helix	trans	-63.3	-32	176.3	0	0	0	0	0	112.5	D219 K220 L221	D219-A223 PolarHBondContact O-N 3.17Å; D219-A223 VanDerWaalsContact O-N 3.13Å; K220-A223 WeakPolarHBondContact O-CB 3.37Å; K220-A223 PolarHBondContact O-N 3.18Å; L221-A223 VanDerWaalsContact C-N 3.33Å; L221-A223 PolarHBondContact O-N 2.88Å
224	Y	90.2	Very high	91.5	Very high	45 Å²	45	64.9 Å²	64.9	18%	0.176	32%	0.321	C	S	.	.	H	α-helix	trans	-75.1	-23.1	176.6	-67.8	-59.2	0	0	0	113.9	L104 P105 F108 K220 L221 K222 E226 R227 L228	L104-Y224 HydrophobicContact CB-CD2 4.37Å; P105-Y224 HydrophobicContact CG-CE2 4.07Å; F108-Y224 HydrophobicContact CB-CE1 4.22Å; F108-Y224 AromaticContact CD2-CD1 3.24Å; F108-Y224 HydrophobicContact CD2-CD1 3.24Å; F108-Y224 AromaticContact CD2-CE1 3.34Å; F108-Y224 HydrophobicContact CD2-CE1 3.34Å; F108-Y224 HydrophobicContact CD2-CG 4.16Å; F108-Y224 AromaticContact CE2-CD1 3.3Å; F108-Y224 HydrophobicContact CE2-CD1 3.3Å; F108-Y224 AromaticContact CE2-CE1 3.93Å; F108-Y224 HydrophobicContact CE2-CE1 3.93Å; F108-Y224 AromaticContact CE2-CG 3.96Å; F108-Y224 HydrophobicContact CE2-CG 3.96Å; F108-Y224 HydrophobicContact CG-CD1 4.15Å; F108-Y224 AromaticContact CG-CE1 3.97Å; F108-Y224 HydrophobicContact CG-CE1 3.97Å; F108-Y224 HydrophobicContact CZ-CD1 4.21Å; K220-Y224 WeakPolarHBondContact O-CD2 3.48Å; K220-Y224 PolarHBondContact O-N 2.86Å; L221-Y224 PolarHBondContact O-N 2.93Å; L221-Y224 VanDerWaalsContact O-N 3.12Å; K222-Y224 VanDerWaalsContact C-N 3.25Å; K222-Y224 PolarHBondContact O-N 3.49Å; Y224-E226 VanDerWaalsContact C-N 3.35Å; Y224-E226 PolarHBondContact O-N 3.11Å; Y224-R227 PolarHBondContact O-N 2.74Å; Y224-L228 WeakPolarHBondContact O-CB 3.39Å; Y224-L228 PolarHBondContact O-N 2.79Å
225	V	90.7	Very high	91.8	Very high	22 Å²	22	63.4 Å²	63.4	13%	0.133	31%	0.313	C	S	.	.	H	α-helix	trans	-54.3	-49.4	-178.3	172.7	0	0	0	0	111.7	L185 L186 L221 K222 R227 L228 K229	L185-V225 HydrophobicContact CD1-CG2 3.83Å; L185-V225 HydrophobicContact CD2-CG2 4.45Å; L185-V225 HydrophobicContact CG-CG2 3.93Å; L186-V225 HydrophobicContact CD2-CG1 3.98Å; L221-V225 PolarHBondContact O-N 2.77Å; K222-V225 WeakPolarHBondContact O-CB 3.37Å; K222-V225 PolarHBondContact O-N 2.59Å; V225-R227 VanDerWaalsContact C-N 3.33Å; V225-R227 PolarHBondContact O-N 2.75Å; V225-L228 PolarHBondContact O-N 3.14Å; V225-L228 VanDerWaalsContact O-N 3.16Å; V225-K229 WeakPolarHBondContact O-CB 3.5Å; V225-K229 PolarHBondContact O-N 3.04Å
226	E	87.8	Confident	92	Very high	139 Å²	139	61 Å²	61	65%	0.65	31%	0.305	S	S	*	.	H	α-helix	trans	-64.5	-37.8	-177.8	-66.7	-57	136.8	0	0	112.2	Y224 P230	Y224-E226 VanDerWaalsContact C-N 3.35Å; Y224-E226 PolarHBondContact O-N 3.11Å; E226-P230 WeakPolarHBondContact O-CD 3.28Å
227	R	89.3	Confident	92.3	Very high	103 Å²	103	65 Å²	65	39%	0.389	32%	0.319	S	S	.	.	H	α-helix	trans	-70	-35.9	174.8	-67.2	-179.7	71.9	178.2	3.4	111.7	F108 E112 Y224 V225 P230 M231	F108-R227 HydrophobicContact CE1-CB 4.04Å; F108-R227 HydrophobicContact CZ-CB 3.86Å; E112-R227 IonicContact OE1-CZ 2.75Å; E112-R227 IonicContact OE1-NH1 3.78Å; E112-R227 PolarHBondContact OE1-NH1 3.45Å; E112-R227 IonicContact OE1-NH2 3.11Å; E112-R227 PolarHBondContact OE1-NH2 2.9Å; Y224-R227 PolarHBondContact O-N 2.74Å; V225-R227 VanDerWaalsContact C-N 3.33Å; V225-R227 PolarHBondContact O-N 2.75Å; R227-P230 WeakPolarHBondContact O-CD 3.03Å; R227-P230 WeakPolarHBondContact O-CG 3.42Å; R227-M231 WeakPolarHBondContact O-CE 3.34Å
228	L	91.8	Very high	92.6	Very high	0 Å²	0	65.4 Å²	65.4	0%	0	32%	0.321	C	S	.	.	H	α-helix	trans	-80.1	-36.5	-172.4	-172	66.6	0	0	0	113	L104 I130 I182 L185 L186 Y224 V225 P230 M231 V232	L104-L228 HydrophobicContact CD1-CD2 4.43Å; L104-L228 HydrophobicContact CD2-CD1 4.11Å; L104-L228 HydrophobicContact CD2-CD2 3.97Å; I130-L228 HydrophobicContact CD1-CD1 3.63Å; I182-L228 HydrophobicContact CD1-CD2 4.04Å; I182-L228 HydrophobicContact CG2-CD2 4.02Å; L185-L228 HydrophobicContact CD2-CD2 4Å; L186-L228 HydrophobicContact CD2-CD2 4.47Å; Y224-L228 WeakPolarHBondContact O-CB 3.39Å; Y224-L228 PolarHBondContact O-N 2.79Å; V225-L228 PolarHBondContact O-N 3.14Å; V225-L228 VanDerWaalsContact O-N 3.16Å; L228-P230 VanDerWaalsContact C-CD 3.46Å; L228-M231 PolarHBondContact O-N 2.81Å; L228-V232 HydrophobicContact CD1-CG2 4.06Å; L228-V232 HydrophobicContact CD2-CG2 4.36Å; L228-V232 HydrophobicContact CG-CG2 3.72Å; L228-V232 PolarHBondContact O-N 3.06Å
229	K	92.1	Very high	92.7	Very high	135 Å²	135	65.2 Å²	65.2	59%	0.587	32%	0.32	S	S	*	.	G	3₁₀ helix	trans	-47.2	-45.6	-176.7	-166.9	173.8	-174.5	174.3	0	115.4	L186 V225 M231	L186-K229 HydrophobicContact CD2-CB 4.43Å; V225-K229 WeakPolarHBondContact O-CB 3.5Å; V225-K229 PolarHBondContact O-N 3.04Å; K229-M231 VanDerWaalsContact C-N 3.27Å; K229-M231 PolarHBondContact O-N 3.47Å
230	P	93.3	Very high	92.9	Very high	98 Å²	98	66.5 Å²	66.5	64%	0.636	32%	0.318	S	S	*	.	G	3₁₀ helix	trans	-69.6	-21.8	179.1	27.2	-36.1	0	0	0	114.3	E226 R227 L228	E226-P230 WeakPolarHBondContact O-CD 3.28Å; R227-P230 WeakPolarHBondContact O-CD 3.03Å; R227-P230 WeakPolarHBondContact O-CG 3.42Å; L228-P230 VanDerWaalsContact C-CD 3.46Å
231	M	94.8	Very high	93.1	Very high	5 Å²	5	66.1 Å²	66.1	3%	0.025	32%	0.318	C	S	.	.	G	3₁₀ helix	trans	-88.6	-17.6	-177.9	-68	-178.1	-85.8	0	0	112.8	F108 W124 D125 L128 I129 I130 R227 L228 K229	F108-M231 HydrophobicContact CE1-CE 3.89Å; F108-M231 HydrophobicContact CZ-CE 4Å; W124-M231 HydrophobicContact CZ3-SD 4Å; D125-M231 VanDerWaalsContact O-CG 3.27Å; D125-M231 WeakPolarHBondContact O-CG 3.4Å; L128-M231 HydrophobicContact CB-SD 4.14Å; L128-M231 HydrophobicContact CD2-SD 3.88Å; L128-M231 HydrophobicContact CG-SD 4.31Å; L128-M231 WeakPolarHBondContact O-CB 3.12Å; L128-M231 WeakPolarHBondContact O-CG 3.02Å; I129-M231 CarbonylContact C-O 3.55Å; I129-M231 VanDerWaalsContact CA-O 3.28Å; I129-M231 WeakPolarHBondContact CA-O 3.37Å; I130-M231 HydrophobicContact CD1-CB 4.38Å; I130-M231 PolarHBondContact N-O 2.93Å; R227-M231 WeakPolarHBondContact O-CE 3.34Å; L228-M231 PolarHBondContact O-N 2.81Å; K229-M231 VanDerWaalsContact C-N 3.27Å; K229-M231 PolarHBondContact O-N 3.47Å
232	V	96.1	Very high	93.3	Very high	23 Å²	23	65.8 Å²	65.8	14%	0.139	32%	0.317	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90	134.5	-172.8	176.4	0	0	0	0	112	I130 D132 I182 L186 L228	I130-V232 HydrophobicContact CB-CG2 4.19Å; I130-V232 HydrophobicContact CG2-CG2 4.47Å; I130-V232 WeakPolarHBondContact O-CA 3.31Å; D132-V232 HydrophobicContact CB-CG1 3.7Å; I182-V232 HydrophobicContact CG2-CB 4.32Å; I182-V232 HydrophobicContact CG2-CG1 3.85Å; I182-V232 HydrophobicContact CG2-CG2 3.47Å; I182-V232 VanDerWaalsContact CG2-CG2 3.47Å; L186-V232 HydrophobicContact CD1-CB 3.54Å; L186-V232 HydrophobicContact CD1-CG1 3.57Å; L186-V232 HydrophobicContact CD1-CG2 3.78Å; L228-V232 HydrophobicContact CD1-CG2 4.06Å; L228-V232 HydrophobicContact CD2-CG2 4.36Å; L228-V232 HydrophobicContact CG-CG2 3.72Å; L228-V232 PolarHBondContact O-N 3.06Å
233	R	95.4	Very high	93.4	Very high	132 Å²	132	60.2 Å²	60.2	50%	0.498	29%	0.292	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.8	164.3	174.8	-62.8	-169.8	179.5	-157.7	1.3	110.7	I129 I130 D132 G235	I129-R233 HydrophobicContact CG2-CB 3.95Å; I129-R233 HydrophobicContact CG2-CG 3.97Å; I130-R233 PolarHBondContact O-N 2.58Å; D132-R233 PolarHBondContact N-O 3.17Å; R233-G235 PolarHBondContact O-N 3.25Å
234	D	96.6	Very high	93.5	Very high	66 Å²	66	60.1 Å²	60.1	35%	0.353	28%	0.28	S	S	.	.			trans	-62.3	107.3	164.1	-176.3	-52.8	0	0	0	108	V236 H237 F238	D234-V236 VanDerWaalsContact C-N 3.3Å; D234-V236 PolarHBondContact O-N 2.97Å; D234-V236 PolarHBondContact OD1-N 3.02Å; D234-H237 HydrophobicContact CB-CB 4.07Å; D234-H237 PolarHBondContact OD1-N 2.87Å; D234-F238 VanDerWaalsContact O-CB 3.24Å; D234-F238 WeakPolarHBondContact O-CB 3.36Å; D234-F238 PolarHBondContact O-N 2.67Å
235	G	94.4	Very high	93.5	Very high	1 Å²	1	59.7 Å²	59.7	1%	0.01	29%	0.289	C	S	.	.	H	α-helix	trans	-67.1	-30.8	-173.1	0	0	0	0	0	113.6	R233 M239	R233-G235 PolarHBondContact O-N 3.25Å; G235-M239 WeakPolarHBondContact O-CB 3.5Å; G235-M239 PolarHBondContact O-N 3.4Å
236	V	94.8	Very high	93.5	Very high	53 Å²	53	62.8 Å²	62.8	32%	0.321	31%	0.309	S	S	.	.	H	α-helix	trans	-74.1	-46.3	-178.4	178.9	0	0	0	0	109.5	D234 M239 Y240	D234-V236 VanDerWaalsContact C-N 3.3Å; D234-V236 PolarHBondContact O-N 2.97Å; D234-V236 PolarHBondContact OD1-N 3.02Å; V236-M239 PolarHBondContact O-N 3.46Å; V236-Y240 VanDerWaalsContact O-CB 3.31Å; V236-Y240 WeakPolarHBondContact O-CB 3.2Å; V236-Y240 PolarHBondContact O-N 3.27Å
237	H	95.8	Very high	93.7	Very high	101 Å²	101	62 Å²	62	47%	0.468	32%	0.316	S	S	.	.	H	α-helix	trans	-62.4	-45.2	176	-173.5	-96.1	0	0	0	111.3	D234 M239 Y240 E241	D234-H237 HydrophobicContact CB-CB 4.07Å; D234-H237 PolarHBondContact OD1-N 2.87Å; H237-M239 VanDerWaalsContact C-N 3.35Å; H237-M239 PolarHBondContact O-N 3.32Å; H237-Y240 WeakPolarHBondContact O-CB 3.45Å; H237-Y240 PolarHBondContact O-N 2.87Å; H237-Y240 VanDerWaalsContact O-N 3.16Å; H237-E241 IonicContact CE1-OE1 2.7Å; H237-E241 PolarHBondContact CE1-OE1 2.95Å; H237-E241 IonicContact CE1-OE2 3.79Å; H237-E241 IonicContact ND1-OE1 2.77Å; H237-E241 IonicContact ND1-OE2 3.68Å; H237-E241 WeakPolarHBondContact O-CG 3.45Å; H237-E241 PolarHBondContact O-N 3.44Å
238	F	95.7	Very high	93.9	Very high	28 Å²	28	61.1 Å²	61.1	12%	0.123	32%	0.315	C	S	.	.	H	α-helix	trans	-59.8	-43.6	178.2	179	-113.7	0	0	0	112.5	M57 T93 F95 I129 D234 A242	M57-F238 HydrophobicContact CE-CD1 3.85Å; M57-F238 HydrophobicContact CE-CE1 3.2Å; M57-F238 HydrophobicContact CE-CZ 3.96Å; M57-F238 HydrophobicContact SD-CE1 4.38Å; T93-F238 HydrophobicContact CG2-CZ 4.08Å; F95-F238 HydrophobicContact CB-CE1 4.21Å; F95-F238 AromaticContact CD2-CD1 3.66Å; F95-F238 HydrophobicContact CD2-CD1 3.66Å; F95-F238 AromaticContact CD2-CE1 3.69Å; F95-F238 HydrophobicContact CD2-CE1 3.69Å; F95-F238 AromaticContact CE2-CD1 3.7Å; F95-F238 HydrophobicContact CE2-CD1 3.7Å; F95-F238 HydrophobicContact CE2-CE1 4.22Å; F95-F238 HydrophobicContact CG-CD1 4.16Å; F95-F238 AromaticContact CG-CE1 3.98Å; F95-F238 HydrophobicContact CG-CE1 3.98Å; F95-F238 HydrophobicContact CZ-CD1 4.22Å; I129-F238 HydrophobicContact CB-CE1 3.96Å; I129-F238 HydrophobicContact CB-CZ 4.19Å; I129-F238 HydrophobicContact CG1-CE1 4.14Å; I129-F238 HydrophobicContact CG1-CE2 4.39Å; I129-F238 HydrophobicContact CG1-CZ 3.83Å; I129-F238 HydrophobicContact CG2-CD1 3.95Å; I129-F238 HydrophobicContact CG2-CE1 3.83Å; I129-F238 HydrophobicContact CG2-CG 4.36Å; I129-F238 HydrophobicContact CG2-CZ 4.22Å; D234-F238 VanDerWaalsContact O-CB 3.24Å; D234-F238 WeakPolarHBondContact O-CB 3.36Å; D234-F238 PolarHBondContact O-N 2.67Å; F238-A242 WeakPolarHBondContact O-CB 3.36Å; F238-A242 PolarHBondContact O-N 3.43Å
239	M	95.3	Very high	94.1	Very high	1 Å²	1	66.9 Å²	66.9	1%	0.005	34%	0.34	C	S	.	.	H	α-helix	trans	-66.9	-41	174.6	-173.3	55.8	60.5	0	0	111.5	M57 F95 G235 V236 H237 E241 A242 L243 I250 L285 M287	M57-M239 HydrophobicContact CE-CE 3.67Å; M57-M239 HydrophobicContact SD-CE 4.45Å; F95-M239 HydrophobicContact CD1-CE 3.56Å; F95-M239 HydrophobicContact CE1-CE 3.62Å; G235-M239 WeakPolarHBondContact O-CB 3.5Å; G235-M239 PolarHBondContact O-N 3.4Å; V236-M239 PolarHBondContact O-N 3.46Å; H237-M239 VanDerWaalsContact C-N 3.35Å; H237-M239 PolarHBondContact O-N 3.32Å; M239-E241 PolarHBondContact O-N 3.2Å; M239-A242 PolarHBondContact O-N 3.39Å; M239-A242 VanDerWaalsContact O-N 3.17Å; M239-L243 HydrophobicContact CG-CD1 3.9Å; M239-L243 HydrophobicContact CG-CG 4.26Å; M239-L243 WeakPolarHBondContact O-CB 3.48Å; M239-L243 WeakPolarHBondContact O-CG 3.26Å; M239-L243 PolarHBondContact O-N 3.01Å; M239-L243 HydrophobicContact SD-CD1 4.36Å; M239-L243 HydrophobicContact SD-CG 4.17Å; M239-I250 HydrophobicContact SD-CD1 4.46Å; M239-L285 HydrophobicContact CE-CB 4.31Å; M239-L285 HydrophobicContact CE-CD1 4.22Å; M239-L285 HydrophobicContact CE-CD2 4.2Å; M239-L285 HydrophobicContact CE-CG 4.48Å; M239-L285 HydrophobicContact CG-CB 4.4Å; M239-M287 HydrophobicContact CG-CB 4.45Å
240	Y	94.4	Very high	94.3	Very high	133 Å²	133	60.6 Å²	60.6	52%	0.522	31%	0.313	S	S	.	.	H	α-helix	trans	-59.3	-44.4	177.4	-177.9	-93.6	0	0	0	112.2	V236 H237 L243 H244	V236-Y240 VanDerWaalsContact O-CB 3.31Å; V236-Y240 WeakPolarHBondContact O-CB 3.2Å; V236-Y240 PolarHBondContact O-N 3.27Å; H237-Y240 WeakPolarHBondContact O-CB 3.45Å; H237-Y240 PolarHBondContact O-N 2.87Å; H237-Y240 VanDerWaalsContact O-N 3.16Å; Y240-L243 PolarHBondContact O-N 3.47Å; Y240-H244 AromaticContact CD2-CE1 3.45Å; Y240-H244 VanDerWaalsContact CD2-CE1 3.45Å; Y240-H244 WeakPolarHBondContact CD2-CE1 3.36Å; Y240-H244 AromaticContact CD2-ND1 3.45Å; Y240-H244 WeakPolarHBondContact CD2-ND1 3.24Å; Y240-H244 AromaticContact CE2-CE1 3.16Å; Y240-H244 WeakPolarHBondContact CE2-CE1 3.46Å; Y240-H244 AromaticContact CE2-ND1 3.34Å; Y240-H244 VanDerWaalsContact CE2-ND1 3.34Å; Y240-H244 WeakPolarHBondContact CE2-ND1 3.48Å; Y240-H244 AromaticContact CE2-NE2 3.71Å; Y240-H244 AromaticContact CG-ND1 3.86Å; Y240-H244 AromaticContact CZ-CE1 3.83Å; Y240-H244 AromaticContact CZ-CG 3.9Å; Y240-H244 AromaticContact CZ-ND1 3.66Å; Y240-H244 PolarHBondContact O-N 3.25Å; Y240-H244 PolarHBondContact O-ND1 3.06Å
241	E	94.8	Very high	94.5	Very high	103 Å²	103	56.1 Å²	56.1	48%	0.481	28%	0.284	S	S	.	.	H	α-helix	trans	-63.7	-40	174	-72	-175.9	141	0	0	112.2	H237 M239 L243 G245	H237-E241 IonicContact CE1-OE1 2.7Å; H237-E241 PolarHBondContact CE1-OE1 2.95Å; H237-E241 IonicContact CE1-OE2 3.79Å; H237-E241 IonicContact ND1-OE1 2.77Å; H237-E241 IonicContact ND1-OE2 3.68Å; H237-E241 WeakPolarHBondContact O-CG 3.45Å; H237-E241 PolarHBondContact O-N 3.44Å; M239-E241 PolarHBondContact O-N 3.2Å; E241-L243 VanDerWaalsContact C-N 3.29Å; E241-L243 PolarHBondContact O-N 3.45Å; E241-G245 WeakPolarHBondContact O-CA 3.41Å; E241-G245 PolarHBondContact O-N 3.42Å
242	A	94.1	Very high	94.5	Very high	3 Å²	3	55.9 Å²	55.9	3%	0.025	28%	0.282	C	S	.	.	H	α-helix	trans	-65.1	-34.6	175.8	0	0	0	0	0	112.1	N29 M57 F238 M239 I250	N29-A242 PolarHBondContact ND2-O 3.42Å; M57-A242 HydrophobicContact SD-CB 3.99Å; F238-A242 WeakPolarHBondContact O-CB 3.36Å; F238-A242 PolarHBondContact O-N 3.43Å; M239-A242 PolarHBondContact O-N 3.39Å; M239-A242 VanDerWaalsContact O-N 3.17Å; A242-I250 HydrophobicContact CB-CD1 3.89Å
243	L	93.1	Very high	94.4	Very high	2 Å²	2	55.1 Å²	55.1	1%	0.01	28%	0.278	C	S	.	.	H	α-helix	trans	-77.7	-40.2	179.3	-68.5	172.5	0	0	0	113.2	G28 N29 V31 M239 Y240 E241 I250 M287 N291	G28-L243 CarbonylContact C-O 3.51Å; G28-L243 WeakPolarHBondContact CA-O 3.46Å; N29-L243 PolarHBondContact N-O 3.37Å; V31-L243 HydrophobicContact CG2-CD2 3.57Å; M239-L243 HydrophobicContact CG-CD1 3.9Å; M239-L243 HydrophobicContact CG-CG 4.26Å; M239-L243 WeakPolarHBondContact O-CB 3.48Å; M239-L243 WeakPolarHBondContact O-CG 3.26Å; M239-L243 PolarHBondContact O-N 3.01Å; M239-L243 HydrophobicContact SD-CD1 4.36Å; M239-L243 HydrophobicContact SD-CG 4.17Å; Y240-L243 PolarHBondContact O-N 3.47Å; E241-L243 VanDerWaalsContact C-N 3.29Å; E241-L243 PolarHBondContact O-N 3.45Å; L243-I250 HydrophobicContact CD2-CD1 3.92Å; L243-M287 HydrophobicContact CD1-CB 3.82Å; L243-N291 HydrophobicContact CD1-CB 4.24Å; L243-N291 HydrophobicContact CD2-CB 4.07Å
244	H	92.7	Very high	94.2	Very high	70 Å²	70	49 Å²	49	32%	0.324	26%	0.256	S	S	.	.	H	α-helix	trans	-101.4	-5.3	-174.2	-62.2	79.8	0	0	0	114	Y240	Y240-H244 AromaticContact CD2-CE1 3.45Å; Y240-H244 VanDerWaalsContact CD2-CE1 3.45Å; Y240-H244 WeakPolarHBondContact CD2-CE1 3.36Å; Y240-H244 AromaticContact CD2-ND1 3.45Å; Y240-H244 WeakPolarHBondContact CD2-ND1 3.24Å; Y240-H244 AromaticContact CE2-CE1 3.16Å; Y240-H244 WeakPolarHBondContact CE2-CE1 3.46Å; Y240-H244 AromaticContact CE2-ND1 3.34Å; Y240-H244 VanDerWaalsContact CE2-ND1 3.34Å; Y240-H244 WeakPolarHBondContact CE2-ND1 3.48Å; Y240-H244 AromaticContact CE2-NE2 3.71Å; Y240-H244 AromaticContact CG-ND1 3.86Å; Y240-H244 AromaticContact CZ-CE1 3.83Å; Y240-H244 AromaticContact CZ-CG 3.9Å; Y240-H244 AromaticContact CZ-ND1 3.66Å; Y240-H244 PolarHBondContact O-N 3.25Å; Y240-H244 PolarHBondContact O-ND1 3.06Å
245	G	90.5	Very high	93.7	Very high	35 Å²	35	46.1 Å²	46.1	36%	0.361	24%	0.241	S	C	.	.	S	Bend	trans	-77.8	-156.4	177.5	0	0	0	0	0	113.7	E241	E241-G245 WeakPolarHBondContact O-CA 3.41Å; E241-G245 PolarHBondContact O-N 3.42Å
246	P	91.2	Very high	93.3	Very high	88 Å²	88	47.4 Å²	47.4	57%	0.571	25%	0.248	S	C	*	.	S	Bend	trans	-61.5	160.8	177.4	28.4	-35.2	0	0	0	111.2	N29 K248	N29-P246 PolarHBondContact ND2-O 3.1Å; P246-K248 PolarHBondContact O-N 2.97Å; P246-K248 VanDerWaalsContact O-N 3.1Å
247	P	92.4	Very high	93.1	Very high	122 Å²	122	44.9 Å²	44.9	79%	0.792	23%	0.232	S	C	*	.			trans	-50.7	118.5	177.2	-28.2	36	0	0	0	112.1	N29	N29-P247 VanDerWaalsContact OD1-CA 3.3Å; N29-P247 WeakPolarHBondContact OD1-CA 3.38Å
248	K	93.7	Very high	92.8	Very high	85 Å²	85	40.1 Å²	40.1	37%	0.37	21%	0.21	S	C	.	.			trans	-134.7	139.1	178.6	-75	-177.1	179.2	-176.1	0	110.7	N29 D56 P246 I250	N29-K248 PolarHBondContact ND2-N 3.11Å; N29-K248 PolarHBondContact OD1-N 3.28Å; D56-K248 HydrophobicContact CB-CB 4.39Å; D56-K248 HydrophobicContact CB-CG 4.44Å; D56-K248 WeakPolarHBondContact OD2-CA 3.44Å; P246-K248 PolarHBondContact O-N 2.97Å; P246-K248 VanDerWaalsContact O-N 3.1Å; K248-I250 HydrophobicContact CB-CG1 4.38Å
249	K	95.1	Very high	92.5	Very high	121 Å²	121	38.8 Å²	38.8	53%	0.526	20%	0.204	S	C	.	.			trans	-88.8	106.3	171.4	-71	174.8	172.7	-175.1	0	109.3	D54 D56 M57	D54-K249 HydrophobicContact CB-CD 4.45Å; D54-K249 WeakPolarHBondContact O-CD 3.26Å; D56-K249 PolarHBondContact N-O 2.76Å; D56-K249 PolarHBondContact OD2-N 3.33Å; M57-K249 PolarHBondContact N-O 2.83Å
250	I	96.1	Very high	92.3	Very high	2 Å²	2	40.1 Å²	40.1	1%	0.01	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106	123.7	179.8	-53.6	171.8	0	0	0	108.5	V31 T32 M57 M239 A242 L243 K248	V31-I250 HydrophobicContact CG1-CB 4.43Å; V31-I250 HydrophobicContact CG1-CG2 4.07Å; V31-I250 HydrophobicContact CG2-CB 4.17Å; V31-I250 HydrophobicContact CG2-CD1 4.42Å; V31-I250 HydrophobicContact CG2-CG2 4.14Å; T32-I250 PolarHBondContact N-O 3.16Å; M57-I250 HydrophobicContact CB-CG1 4.35Å; M57-I250 HydrophobicContact CB-CG2 4.43Å; M57-I250 HydrophobicContact CG-CG2 4.47Å; M57-I250 HydrophobicContact SD-CG1 4.42Å; M57-I250 HydrophobicContact SD-CG2 4.28Å; M239-I250 HydrophobicContact SD-CD1 4.46Å; A242-I250 HydrophobicContact CB-CD1 3.89Å; L243-I250 HydrophobicContact CD2-CD1 3.92Å; K248-I250 HydrophobicContact CB-CG1 4.38Å
251	L	96.8	Very high	92.2	Very high	4 Å²	4	33.8 Å²	33.8	2%	0.021	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.7	132	178.7	178.6	65	0	0	0	110	T32 V34 V48 L51 A52 A55 M57 V58 C59	T32-L251 HydrophobicContact CG2-CD1 3.94Å; T32-L251 CarbonylContact O-C 3.53Å; T32-L251 WeakPolarHBondContact O-CA 3.27Å; V34-L251 HydrophobicContact CG2-CD1 3.91Å; V48-L251 HydrophobicContact CG1-CD2 3.85Å; L51-L251 HydrophobicContact CB-CD1 4.02Å; L51-L251 HydrophobicContact CB-CD2 3.67Å; L51-L251 HydrophobicContact CB-CG 4.5Å; L51-L251 HydrophobicContact CD1-CD1 3.9Å; A52-L251 HydrophobicContact CB-CD2 4.25Å; A55-L251 HydrophobicContact CB-CB 4.17Å; M57-L251 PolarHBondContact O-N 2.79Å; V58-L251 CarbonylContact C-O 3.57Å; V58-L251 VanDerWaalsContact CA-O 3.32Å; V58-L251 WeakPolarHBondContact CA-O 3.44Å; V58-L251 HydrophobicContact CG1-CD2 4.42Å; V58-L251 HydrophobicContact CG2-CB 4.19Å; V58-L251 HydrophobicContact CG2-CD2 4.16Å; C59-L251 PolarHBondContact N-O 3.15Å
252	V	96.1	Very high	92	Very high	0 Å²	0	31.3 Å²	31.3	0%	0	18%	0.176	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110	120.9	175.6	177.1	0	0	0	0	109.7	V31 T32 V33 V34 C59 C61 V281 L285	V31-V252 HydrophobicContact CG1-CB 4.19Å; V31-V252 HydrophobicContact CG1-CG2 3.24Å; T32-V252 PolarHBondContact O-N 3.08Å; V33-V252 HydrophobicContact CG1-CB 4.34Å; V33-V252 HydrophobicContact CG1-CG1 4.38Å; V33-V252 HydrophobicContact CG2-CB 4.39Å; V34-V252 PolarHBondContact N-O 2.86Å; C59-V252 HydrophobicContact CB-CG2 4.06Å; C59-V252 WeakPolarHBondContact O-CA 3.42Å; C61-V252 HydrophobicContact CB-CG1 4.2Å; V252-V281 HydrophobicContact CB-CG1 4.38Å; V252-V281 HydrophobicContact CG1-CG1 4.08Å; V252-V281 HydrophobicContact CG1-CG2 4.05Å; V252-V281 HydrophobicContact CG2-CG1 4.05Å; V252-L285 HydrophobicContact CG1-CD1 4.38Å; V252-L285 HydrophobicContact CG2-CD1 3.5Å
253	E	93.7	Very high	91.7	Very high	8 Å²	8	36.1 Å²	36.1	4%	0.037	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.6	109	172	-178	178.8	164.3	0	0	109.8	V48 C59 R60 H69 S85	V48-E253 HydrophobicContact CG1-CB 4.28Å; V48-E253 HydrophobicContact CG1-CG 4.41Å; V48-E253 HydrophobicContact CG2-CB 4.38Å; V48-E253 HydrophobicContact CG2-CG 4.07Å; C59-E253 PolarHBondContact O-N 2.82Å; R60-E253 HydrophobicContact CG-CB 4.43Å; R60-E253 IonicContact CZ-OE1 3.28Å; R60-E253 VanDerWaalsContact CZ-OE1 3.29Å; R60-E253 IonicContact CZ-OE2 2.71Å; R60-E253 IonicContact NH1-OE1 3.35Å; R60-E253 PolarHBondContact NH1-OE1 3.02Å; R60-E253 IonicContact NH1-OE2 3.68Å; R60-E253 IonicContact NH2-OE1 2.74Å; R60-E253 PolarHBondContact NH2-OE1 3.3Å; R60-E253 IonicContact NH2-OE2 3.34Å; H69-E253 VanDerWaalsContact CE1-CD 3.5Å; H69-E253 IonicContact CE1-OE1 3.92Å; H69-E253 PolarHBondContact CE1-OE1 3.37Å; H69-E253 IonicContact CE1-OE2 2.75Å; H69-E253 PolarHBondContact CE1-OE2 2.98Å; H69-E253 IonicContact CG-OE1 3.37Å; H69-E253 IonicContact ND1-OE1 2.81Å; H69-E253 PolarHBondContact ND1-OE1 3.46Å; H69-E253 IonicContact ND1-OE2 3.55Å; S85-E253 PolarHBondContact N-OE2 3.06Å; S85-E253 VanDerWaalsContact N-OE2 3.14Å; S85-E253 PolarHBondContact OG-OE2 3.13Å
254	G	90.4	Very high	90.8	Very high	4 Å²	4	41.3 Å²	41.3	4%	0.041	22%	0.224	C	C	.	.			trans	-68.9	132.4	172	0	0	0	0	0	112.3	V34	V34-G254 WeakPolarHBondContact O-CA 3.42Å; V34-G254 PolarHBondContact O-N 3.25Å
255	A	85.8	Confident	89.4	Confident	5 Å²	5	38 Å²	38	4%	0.041	21%	0.208	C	C	.	.			trans	-78.6	148	170.4	0	0	0	0	0	111.1	Q62 A67 A257 C276	Q62-A255 WeakPolarHBondContact O-CB 3.47Å; A67-A255 HydrophobicContact CB-CB 4.44Å; A255-A257 PolarHBondContact O-N 2.83Å; A255-C276 PolarHBondContact O-SG 3.18Å
256	N	87.5	Confident	88.5	Confident	28 Å²	28	36.8 Å²	36.8	15%	0.15	20%	0.196	C	C	.	.	S	Bend	trans	49.9	-133	176.9	-62.4	84	0	0	0	111.7	K44 N66 L260 T272	K44-N256 WeakPolarHBondContact CE-O 3.49Å; K44-N256 PolarHBondContact NZ-O 3.26Å; N66-N256 PolarHBondContact ND2-OD1 3.23Å; N256-L260 HydrophobicContact CB-CB 4.33Å; N256-L260 HydrophobicContact CB-CD1 4.06Å; N256-T272 HydrophobicContact CB-CG2 4.46Å
257	A	90.2	Very high	88.1	Confident	0 Å²	0	32.6 Å²	32.6	0%	0	17%	0.169	C	C	.	.			trans	-157.4	167.6	-178.7	0	0	0	0	0	111.2	Q38 E42 A255 L259 L260 D261 C276	Q38-A257 WeakPolarHBondContact O-CB 3.49Å; E42-A257 WeakPolarHBondContact OE1-CB 3.41Å; A255-A257 PolarHBondContact O-N 2.83Å; A257-L259 VanDerWaalsContact C-N 3.3Å; A257-L259 PolarHBondContact O-N 3.31Å; A257-L260 PolarHBondContact O-N 2.8Å; A257-D261 PolarHBondContact O-N 3.49Å; A257-C276 WeakPolarHBondContact O-CB 3.42Å
258	A	89.6	Confident	87.8	Confident	0 Å²	0	33.9 Å²	33.9	0%	0	16%	0.159	C	C	.	.	G	3₁₀ helix	trans	-52.6	-45.2	-176.4	0	0	0	0	0	112.2	G36 L260 D261 A265 A351	G36-A258 WeakPolarHBondContact O-CB 3.34Å; G36-A258 PolarHBondContact O-N 2.97Å; A258-L260 PolarHBondContact O-N 2.86Å; A258-L260 VanDerWaalsContact O-N 3.08Å; A258-D261 WeakPolarHBondContact O-CB 3.12Å; A258-D261 PolarHBondContact O-N 2.96Å; A258-A265 HydrophobicContact CB-CB 3.89Å; A258-A265 CarbonylContact O-C 3.56Å; A258-A265 WeakPolarHBondContact O-CB 3.49Å; A258-A351 HydrophobicContact CB-CB 3.9Å
259	L	89.2	Confident	87.5	Confident	0 Å²	0	32.1 Å²	32.1	0%	0	16%	0.156	C	C	.	.	G	3₁₀ helix	trans	-76	1.3	-176.6	-53	171.5	0	0	0	114.7	Q38 W39 A257 A265 G266 T267 L347	Q38-L259 VanDerWaalsContact O-CB 3.23Å; Q38-L259 WeakPolarHBondContact O-CB 3.4Å; Q38-L259 WeakPolarHBondContact O-CG 3.48Å; Q38-L259 PolarHBondContact O-N 2.9Å; W39-L259 VanDerWaalsContact CD1-CB 3.49Å; W39-L259 HydrophobicContact CD2-CB 3.9Å; W39-L259 HydrophobicContact CD2-CD1 3.5Å; W39-L259 HydrophobicContact CD2-CG 4.37Å; W39-L259 HydrophobicContact CE3-CD1 3.6Å; W39-L259 HydrophobicContact CG-CB 3.81Å; W39-L259 HydrophobicContact CG-CD1 4.16Å; W39-L259 HydrophobicContact CH2-CD1 3.78Å; W39-L259 HydrophobicContact CZ2-CB 4.28Å; W39-L259 HydrophobicContact CZ2-CD1 3.66Å; W39-L259 HydrophobicContact CZ2-CG 4.48Å; W39-L259 HydrophobicContact CZ3-CD1 3.76Å; W39-L259 PolarHBondContact NE1-O 2.87Å; A257-L259 VanDerWaalsContact C-N 3.3Å; A257-L259 PolarHBondContact O-N 3.31Å; L259-A265 VanDerWaalsContact CA-O 3.28Å; L259-A265 WeakPolarHBondContact CA-O 3.45Å; L259-A265 HydrophobicContact CD2-CB 4.17Å; L259-A265 VanDerWaalsContact CD2-O 3.23Å; L259-A265 WeakPolarHBondContact CD2-O 3.44Å; L259-G266 WeakPolarHBondContact O-CA 3.27Å; L259-T267 PolarHBondContact O-N 3.12Å; L259-L347 HydrophobicContact CD1-CB 4.08Å; L259-L347 HydrophobicContact CD1-CD1 3.81Å; L259-L347 HydrophobicContact CD1-CD2 3.94Å; L259-L347 HydrophobicContact CD1-CG 4.18Å; L259-L347 HydrophobicContact CD2-CD2 4.12Å
260	L	90.3	Very high	87.1	Confident	29 Å²	29	27.6 Å²	27.6	15%	0.152	14%	0.137	C	C	.	.	G	3₁₀ helix	trans	-108.1	3.7	169.8	-64.7	174.5	0	0	0	112.2	W39 N256 A257 A258 V271 T272	W39-L260 WeakPolarHBondContact O-CD1 3.02Å; N256-L260 HydrophobicContact CB-CB 4.33Å; N256-L260 HydrophobicContact CB-CD1 4.06Å; A257-L260 PolarHBondContact O-N 2.8Å; A258-L260 PolarHBondContact O-N 2.86Å; A258-L260 VanDerWaalsContact O-N 3.08Å; L260-V271 WeakPolarHBondContact O-CB 3.21Å; L260-T272 HydrophobicContact CB-CG2 4.45Å; L260-T272 WeakPolarHBondContact O-CG2 3.11Å; L260-T272 PolarHBondContact O-N 2.89Å
261	D	92.3	Very high	86.7	Confident	0 Å²	0	28.3 Å²	28.3	0%	0	14%	0.141	C	C	.	.			trans	-59.9	144.8	174.9	-173.6	-87.6	0	0	0	111	A257 A258 D263 F264 G266 V271 N275 C276 T277	A257-D261 PolarHBondContact O-N 3.49Å; A258-D261 WeakPolarHBondContact O-CB 3.12Å; A258-D261 PolarHBondContact O-N 2.96Å; D261-D263 VanDerWaalsContact C-N 3.32Å; D261-D263 PolarHBondContact O-N 2.82Å; D261-D263 PolarHBondContact OD1-N 3.4Å; D261-F264 PolarHBondContact OD1-N 3.01Å; D261-G266 WeakPolarHBondContact O-CA 3.35Å; D261-V271 WeakPolarHBondContact O-CB 3.43Å; D261-V271 WeakPolarHBondContact O-CG1 3.28Å; D261-N275 VanDerWaalsContact OD2-C 3.32Å; D261-N275 WeakPolarHBondContact OD2-CA 3.17Å; D261-C276 HydrophobicContact CB-CB 4.34Å; D261-C276 PolarHBondContact OD2-N 2.96Å; D261-T277 HydrophobicContact CB-CG2 4.04Å; D261-T277 VanDerWaalsContact OD2-CG2 3.31Å; D261-T277 WeakPolarHBondContact OD2-CG2 3.38Å; D261-T277 PolarHBondContact OD2-N 2.97Å; D261-T277 PolarHBondContact OD2-OG1 2.82Å
262	I	92.1	Very high	86.3	Confident	51 Å²	51	28.9 Å²	28.9	26%	0.262	15%	0.145	S	C	.	.	S	Bend	trans	-69.1	-26.6	-177.5	-174	58.1	0	0	0	113.6	Y268 V271 T272 S274	I262-Y268 HydrophobicContact CD1-CD2 4.32Å; I262-Y268 HydrophobicContact CD1-CE2 4.27Å; I262-V271 HydrophobicContact CD1-CG2 3.91Å; I262-T272 WeakPolarHBondContact CD1-O 3.48Å; I262-S274 PolarHBondContact N-O 2.98Å
263	D	88.1	Confident	86	Confident	105 Å²	105	31 Å²	31	56%	0.561	16%	0.159	S	C	*	.	S	Bend	trans	-110.2	-58.8	-170.3	-68.3	-61.1	0	0	0	113.1	D261 N275	D261-D263 VanDerWaalsContact C-N 3.32Å; D261-D263 PolarHBondContact O-N 2.82Å; D261-D263 PolarHBondContact OD1-N 3.4Å; D263-N275 PolarHBondContact OD2-ND2 3.5Å
264	F	73.2	Confident	85.9	Confident	110 Å²	110	30.7 Å²	30.7	48%	0.482	16%	0.158	S	C	.	.	S	Bend	trans	-100.7	-73.1	-157.5	-51.3	-71.7	0	0	0	113	D261 G266 Y350 I354	D261-F264 PolarHBondContact OD1-N 3.01Å; F264-G266 PolarHBondContact O-N 3.46Å; F264-Y350 PolarHBondContact O-OH 2.93Å; F264-I354 HydrophobicContact CB-CD1 3.65Å; F264-I354 HydrophobicContact CB-CG1 4.22Å; F264-I354 HydrophobicContact CB-CG2 4.25Å; F264-I354 HydrophobicContact CD2-CG2 4.38Å; F264-I354 HydrophobicContact CG-CG2 4.46Å
265	A	63.1	Low	86	Confident	0 Å²	0	32.3 Å²	32.3	0%	0	17%	0.166	C	C	.	.	S	Bend	trans	-78	-12.6	-175.4	0	0	0	0	0	112.5	A258 L259 Y350 I354	A258-A265 HydrophobicContact CB-CB 3.89Å; A258-A265 CarbonylContact O-C 3.56Å; A258-A265 WeakPolarHBondContact O-CB 3.49Å; L259-A265 VanDerWaalsContact CA-O 3.28Å; L259-A265 WeakPolarHBondContact CA-O 3.45Å; L259-A265 HydrophobicContact CD2-CB 4.17Å; L259-A265 VanDerWaalsContact CD2-O 3.23Å; L259-A265 WeakPolarHBondContact CD2-O 3.44Å; A265-Y350 HydrophobicContact CB-CD1 4.34Å; A265-Y350 HydrophobicContact CB-CE1 4.23Å; A265-I354 HydrophobicContact CB-CD1 3.62Å
266	G	71.7	Confident	86.3	Confident	10 Å²	10	32.3 Å²	32.3	10%	0.103	17%	0.166	C	C	.	.			trans	-58.9	134.4	-176.7	0	0	0	0	0	115.7	L259 D261 F264 Y268	L259-G266 WeakPolarHBondContact O-CA 3.27Å; D261-G266 WeakPolarHBondContact O-CA 3.35Å; F264-G266 PolarHBondContact O-N 3.46Å; G266-Y268 PolarHBondContact O-N 2.95Å
267	T	82.1	Confident	86.6	Confident	1 Å²	1	31.1 Å²	31.1	1%	0.006	16%	0.16	C	C	.	.			trans	-77.7	62.7	162.2	50	0	0	0	0	111.8	W39 L259 F270 R305 F390 Q394 L397	W39-T267 HydrophobicContact CZ2-CG2 3.64Å; W39-T267 PolarHBondContact NE1-OG1 3.35Å; W39-T267 VanDerWaalsContact NE1-OG1 3.16Å; L259-T267 PolarHBondContact O-N 3.12Å; T267-F270 CarbonylContact O-C 3.55Å; T267-F270 WeakPolarHBondContact O-CA 3.36Å; T267-F270 WeakPolarHBondContact O-CB 3.02Å; T267-F270 PolarHBondContact O-N 3.43Å; T267-F270 PolarHBondContact OG1-O 3.17Å; T267-R305 PolarHBondContact OG1-NH1 3.09Å; T267-R305 PolarHBondContact OG1-NH2 3.45Å; T267-R305 VanDerWaalsContact OG1-NH2 3.09Å; T267-F390 HydrophobicContact CG2-CE1 4.24Å; T267-F390 HydrophobicContact CG2-CZ 3.96Å; T267-Q394 VanDerWaalsContact C-NE2 3.34Å; T267-Q394 VanDerWaalsContact CB-NE2 3.25Å; T267-Q394 PolarHBondContact O-NE2 3.31Å; T267-L397 HydrophobicContact CG2-CD2 3.61Å
268	Y	87.2	Confident	86.8	Confident	149 Å²	149	32.6 Å²	32.6	58%	0.584	17%	0.168	S	C	*	.	T	Hydrogen-bonded Turn	trans	-56	135	-177.4	-175.6	-86.2	0	0	0	110.8	I262 G266 V271 Q394	I262-Y268 HydrophobicContact CD1-CD2 4.32Å; I262-Y268 HydrophobicContact CD1-CE2 4.27Å; G266-Y268 PolarHBondContact O-N 2.95Å; Y268-V271 HydrophobicContact CD2-CG2 3.81Å; Y268-Q394 WeakPolarHBondContact O-CG 3.27Å; Y268-Q394 PolarHBondContact O-NE2 2.79Å
269	P	86.5	Confident	87	Confident	47 Å²	47	34.3 Å²	34.3	31%	0.305	19%	0.186	S	C	.	.	T	Hydrogen-bonded Turn	cis	-88.8	3.5	9.7	36.2	-37.3	0	0	0	115.2	L160 V271	L160-P269 HydrophobicContact CD1-CB 4.24Å; L160-P269 WeakPolarHBondContact CD2-O 3.44Å; P269-V271 PolarHBondContact O-N 3.43Å
270	F	86.5	Confident	87.2	Confident	27 Å²	27	34.3 Å²	34.3	12%	0.118	19%	0.186	C	C	.	.	S	Bend	trans	-86.2	61.5	-176.7	-51.7	-61.6	0	0	0	111.7	L160 T267 I308 Q394	L160-F270 HydrophobicContact CG-CD1 4.37Å; T267-F270 CarbonylContact O-C 3.55Å; T267-F270 WeakPolarHBondContact O-CA 3.36Å; T267-F270 WeakPolarHBondContact O-CB 3.02Å; T267-F270 PolarHBondContact O-N 3.43Å; T267-F270 PolarHBondContact OG1-O 3.17Å; F270-I308 HydrophobicContact CD1-CD1 4.21Å; F270-I308 HydrophobicContact CD1-CG1 3.64Å; F270-I308 HydrophobicContact CE1-CD1 3.4Å; F270-I308 HydrophobicContact CE1-CG1 3.33Å; F270-I308 HydrophobicContact CG-CG1 4.47Å; F270-I308 WeakPolarHBondContact CG-O 3.2Å; F270-I308 HydrophobicContact CZ-CD1 3.78Å; F270-I308 HydrophobicContact CZ-CG1 3.89Å; F270-Q394 HydrophobicContact CD2-CG 4.35Å; F270-Q394 HydrophobicContact CE2-CG 4.23Å
271	V	88.7	Confident	87.5	Confident	17 Å²	17	33 Å²	33	10%	0.103	18%	0.179	C	C	.	.	S	Bend	trans	-135.5	170.7	-173.2	-65	0	0	0	0	110.2	L260 D261 I262 Y268 P269	L260-V271 WeakPolarHBondContact O-CB 3.21Å; D261-V271 WeakPolarHBondContact O-CB 3.43Å; D261-V271 WeakPolarHBondContact O-CG1 3.28Å; I262-V271 HydrophobicContact CD1-CG2 3.91Å; Y268-V271 HydrophobicContact CD2-CG2 3.81Å; P269-V271 PolarHBondContact O-N 3.43Å
272	T	88.4	Confident	87.6	Confident	16 Å²	16	34.2 Å²	34.2	10%	0.098	19%	0.188	C	C	.	.			trans	-83.4	173	167.3	-165.4	0	0	0	0	110.8	N256 L260 I262 S274 C276	N256-T272 HydrophobicContact CB-CG2 4.46Å; L260-T272 HydrophobicContact CB-CG2 4.45Å; L260-T272 WeakPolarHBondContact O-CG2 3.11Å; L260-T272 PolarHBondContact O-N 2.89Å; I262-T272 WeakPolarHBondContact CD1-O 3.48Å; T272-S274 VanDerWaalsContact C-N 3.32Å; T272-S274 WeakPolarHBondContact CG2-OG 3.41Å; T272-C276 WeakPolarHBondContact CG2-SG 3.46Å
273	S	90.1	Very high	87.8	Confident	43 Å²	43	35.9 Å²	35.9	30%	0.301	20%	0.2	S	C	.	.	S	Bend	trans	-94.3	14.4	-177.6	-50.3	0	0	0	0	113.3	G168	G168-S273 WeakPolarHBondContact CA-OG 3.02Å
274	S	90.8	Very high	88.1	Confident	2 Å²	2	30.9 Å²	30.9	1%	0.014	17%	0.173	C	C	.	.	S	Bend	trans	-126.5	159.2	-178.8	65.9	0	0	0	0	111.7	Y171 I262 T272 C276	Y171-S274 WeakPolarHBondContact OH-CB 3.47Å; I262-S274 PolarHBondContact N-O 2.98Å; T272-S274 VanDerWaalsContact C-N 3.32Å; T272-S274 WeakPolarHBondContact CG2-OG 3.41Å; S274-C276 PolarHBondContact O-N 3.33Å
275	N	93	Very high	89.2	Confident	39 Å²	39	25.6 Å²	25.6	21%	0.209	15%	0.15	C	C	.	.			trans	-78.5	117.1	169.6	-62.7	104.8	0	0	0	110.7	Q62 D261 D263	Q62-N275 WeakPolarHBondContact CG-O 3.48Å; D261-N275 VanDerWaalsContact OD2-C 3.32Å; D261-N275 WeakPolarHBondContact OD2-CA 3.17Å; D263-N275 PolarHBondContact OD2-ND2 3.5Å
276	C	92.1	Very high	90.6	Very high	4 Å²	4	27.5 Å²	27.5	3%	0.027	17%	0.17	C	C	.	.			trans	-100.1	10.8	-179.6	-61.3	0	0	0	0	112.4	A255 A257 D261 T272 S274	A255-C276 PolarHBondContact O-SG 3.18Å; A257-C276 WeakPolarHBondContact O-CB 3.42Å; D261-C276 HydrophobicContact CB-CB 4.34Å; D261-C276 PolarHBondContact OD2-N 2.96Å; T272-C276 WeakPolarHBondContact CG2-SG 3.46Å; S274-C276 PolarHBondContact O-N 3.33Å
277	T	93.7	Very high	91.6	Very high	4 Å²	4	27.5 Å²	27.5	3%	0.025	17%	0.167	C	C	.	.	S	Bend	trans	-101.2	173	-180	52.1	0	0	0	0	111.5	D261 G279 G280 I354 N355	D261-T277 HydrophobicContact CB-CG2 4.04Å; D261-T277 VanDerWaalsContact OD2-CG2 3.31Å; D261-T277 WeakPolarHBondContact OD2-CG2 3.38Å; D261-T277 PolarHBondContact OD2-N 2.97Å; D261-T277 PolarHBondContact OD2-OG1 2.82Å; T277-G279 PolarHBondContact O-N 3.26Å; T277-G279 VanDerWaalsContact O-N 3.15Å; T277-G280 WeakPolarHBondContact O-CA 3.5Å; T277-G280 PolarHBondContact O-N 3.39Å; T277-I354 HydrophobicContact CG2-CG2 3.6Å; T277-N355 WeakPolarHBondContact CA-OD1 3.35Å; T277-N355 WeakPolarHBondContact CB-OD1 3.48Å
278	V	94.4	Very high	92.1	Very high	30 Å²	30	29.8 Å²	29.8	18%	0.182	18%	0.182	C	C	.	.	H	α-helix	trans	-56.4	-31.2	-179.3	71.2	0	0	0	0	112.9	L35 G280 V281 V292 V295 N355	L35-V278 HydrophobicContact CD1-CB 4.08Å; V278-G280 PolarHBondContact O-N 3.05Å; V278-V281 VanDerWaalsContact O-CB 3.27Å; V278-V281 WeakPolarHBondContact O-CB 3.22Å; V278-V281 PolarHBondContact O-N 2.99Å; V278-V292 HydrophobicContact CG2-CG1 3.94Å; V278-V295 HydrophobicContact CG2-CG1 4.5Å; V278-V295 HydrophobicContact CG2-CG2 4.1Å; V278-N355 PolarHBondContact N-OD1 3.49Å
279	G	93.9	Very high	92.4	Very high	37 Å²	37	27.5 Å²	27.5	38%	0.381	19%	0.186	S	C	.	.	H	α-helix	trans	-61	-32.2	174.4	0	0	0	0	0	113.2	T277 V281 C282 T283	T277-G279 PolarHBondContact O-N 3.26Å; T277-G279 VanDerWaalsContact O-N 3.15Å; G279-V281 PolarHBondContact O-N 2.71Å; G279-C282 PolarHBondContact O-N 3.43Å; G279-T283 PolarHBondContact O-N 3.16Å; G279-T283 VanDerWaalsContact O-N 3.16Å; G279-T283 PolarHBondContact O-OG1 3.42Å
280	G	93.8	Very high	92.7	Very high	0 Å²	0	30.3 Å²	30.3	0%	0	20%	0.195	C	C	.	.	H	α-helix	trans	-63.6	-24.7	174.8	0	0	0	0	0	113.5	Q62 T277 V278 T283 G284	Q62-G280 WeakPolarHBondContact CG-O 3.33Å; Q62-G280 PolarHBondContact NE2-O 3.46Å; T277-G280 WeakPolarHBondContact O-CA 3.5Å; T277-G280 PolarHBondContact O-N 3.39Å; V278-G280 PolarHBondContact O-N 3.05Å; G280-T283 PolarHBondContact O-OG1 3.27Å; G280-G284 WeakPolarHBondContact O-CA 3.46Å; G280-G284 PolarHBondContact O-N 3.34Å
281	V	95.3	Very high	93.1	Very high	0 Å²	0	29 Å²	29	0%	0	19%	0.189	C	C	.	.	H	α-helix	trans	-68.9	-47.7	175.1	-177.7	0	0	0	0	110.3	V33 V252 V278 G279 G284 L285 M287	V33-V281 HydrophobicContact CG1-CG2 3.59Å; V33-V281 HydrophobicContact CG2-CG1 4.21Å; V33-V281 HydrophobicContact CG2-CG2 4.16Å; V252-V281 HydrophobicContact CB-CG1 4.38Å; V252-V281 HydrophobicContact CG1-CG1 4.08Å; V252-V281 HydrophobicContact CG1-CG2 4.05Å; V252-V281 HydrophobicContact CG2-CG1 4.05Å; V278-V281 VanDerWaalsContact O-CB 3.27Å; V278-V281 WeakPolarHBondContact O-CB 3.22Å; V278-V281 PolarHBondContact O-N 2.99Å; G279-V281 PolarHBondContact O-N 2.71Å; V281-G284 PolarHBondContact O-N 2.96Å; V281-L285 HydrophobicContact CG1-CD1 3.92Å; V281-L285 WeakPolarHBondContact O-CB 3.49Å; V281-L285 PolarHBondContact O-N 3.07Å; V281-L285 VanDerWaalsContact O-N 3.11Å; V281-M287 HydrophobicContact CG1-SD 3.82Å
282	C	95.7	Very high	93.4	Very high	26 Å²	26	29.5 Å²	29.5	18%	0.176	19%	0.192	C	C	.	.	H	α-helix	trans	-61.9	-50.6	178.8	-60.8	0	0	0	0	111.5	G279 G284 G286 M287	G279-C282 PolarHBondContact O-N 3.43Å; C282-G284 PolarHBondContact O-N 3.36Å; C282-G286 WeakPolarHBondContact O-CA 3.33Å; C282-G286 PolarHBondContact O-N 3.23Å; C282-M287 WeakPolarHBondContact CA-O 3.23Å; C282-M287 WeakPolarHBondContact CB-O 3.21Å; C282-M287 PolarHBondContact O-N 2.92Å
283	T	95.4	Very high	93.7	Very high	86 Å²	86	29.7 Å²	29.7	53%	0.528	20%	0.197	S	C	.	.	H	α-helix	trans	-72.4	-29.3	-177.9	60.9	0	0	0	0	113	Q62 N98 G279 G280	Q62-T283 PolarHBondContact NE2-OG1 2.84Å; Q62-T283 VanDerWaalsContact NE2-OG1 3.17Å; N98-T283 PolarHBondContact ND2-O 3.47Å; G279-T283 PolarHBondContact O-N 3.16Å; G279-T283 VanDerWaalsContact O-N 3.16Å; G279-T283 PolarHBondContact O-OG1 3.42Å; G280-T283 PolarHBondContact O-OG1 3.27Å
284	G	94.9	Very high	94	Very high	0 Å²	0	31.8 Å²	31.8	0%	0	20%	0.202	C	C	.	.	H	α-helix	trans	-84.8	-19.7	-176	0	0	0	0	0	115.1	C61 Q62 G97 N98 G99 G280 V281 C282	C61-G284 VanDerWaalsContact O-CA 3.23Å; C61-G284 WeakPolarHBondContact O-CA 3.47Å; Q62-G284 VanDerWaalsContact NE2-CA 3.25Å; G97-G284 CarbonylContact C-O 3.51Å; G97-G284 WeakPolarHBondContact CA-O 2.97Å; N98-G284 PolarHBondContact N-O 3.04Å; N98-G284 PolarHBondContact OD1-O 2.82Å; G99-G284 PolarHBondContact N-O 3.37Å; G99-G284 VanDerWaalsContact N-O 3.16Å; G280-G284 WeakPolarHBondContact O-CA 3.46Å; G280-G284 PolarHBondContact O-N 3.34Å; V281-G284 PolarHBondContact O-N 2.96Å; C282-G284 PolarHBondContact O-N 3.36Å
285	L	95.3	Very high	94.3	Very high	0 Å²	0	32 Å²	32	0%	0	20%	0.203	C	C	.	.	H	α-helix	trans	-116.8	-7.3	178.7	-57.3	175.1	0	0	0	113.4	C59 C61 F95 M239 V252 V281 M287	C59-L285 HydrophobicContact CB-CD1 4.3Å; C59-L285 HydrophobicContact CB-CD2 4.13Å; C61-L285 HydrophobicContact CB-CD1 4.22Å; C61-L285 HydrophobicContact CB-CD2 3.99Å; C61-L285 HydrophobicContact CB-CG 3.77Å; F95-L285 HydrophobicContact CD1-CD2 3.95Å; F95-L285 HydrophobicContact CE1-CD2 3.77Å; M239-L285 HydrophobicContact CE-CB 4.31Å; M239-L285 HydrophobicContact CE-CD1 4.22Å; M239-L285 HydrophobicContact CE-CD2 4.2Å; M239-L285 HydrophobicContact CE-CG 4.48Å; M239-L285 HydrophobicContact CG-CB 4.4Å; V252-L285 HydrophobicContact CG1-CD1 4.38Å; V252-L285 HydrophobicContact CG2-CD1 3.5Å; V281-L285 HydrophobicContact CG1-CD1 3.92Å; V281-L285 WeakPolarHBondContact O-CB 3.49Å; V281-L285 PolarHBondContact O-N 3.07Å; V281-L285 VanDerWaalsContact O-N 3.11Å; L285-M287 HydrophobicContact CB-CG 4.23Å; L285-M287 HydrophobicContact CB-SD 4.43Å; L285-M287 HydrophobicContact CD1-SD 4.11Å
286	G	92.8	Very high	94.5	Very high	40 Å²	40	30.3 Å²	30.3	41%	0.412	19%	0.194	S	C	.	.	T	Hydrogen-bonded Turn	trans	69.3	33	-177.4	0	0	0	0	0	113.2	C282	C282-G286 WeakPolarHBondContact O-CA 3.33Å; C282-G286 PolarHBondContact O-N 3.23Å
287	M	92.8	Very high	94.7	Very high	9 Å²	9	30.1 Å²	30.1	4%	0.044	19%	0.193	C	C	.	.			trans	-108.5	146.6	-178	65.1	176.7	-70.5	0	0	112	V31 M239 L243 V281 C282 L285 N291 V292	V31-M287 HydrophobicContact CB-CE 3.95Å; V31-M287 HydrophobicContact CB-SD 4.4Å; V31-M287 HydrophobicContact CG2-CE 3.52Å; V31-M287 HydrophobicContact CG2-SD 3.94Å; M239-M287 HydrophobicContact CG-CB 4.45Å; L243-M287 HydrophobicContact CD1-CB 3.82Å; V281-M287 HydrophobicContact CG1-SD 3.82Å; C282-M287 WeakPolarHBondContact CA-O 3.23Å; C282-M287 WeakPolarHBondContact CB-O 3.21Å; C282-M287 PolarHBondContact O-N 2.92Å; L285-M287 HydrophobicContact CB-CG 4.23Å; L285-M287 HydrophobicContact CB-SD 4.43Å; L285-M287 HydrophobicContact CD1-SD 4.11Å; M287-N291 HydrophobicContact CE-CB 3.37Å; M287-V292 HydrophobicContact CE-CG2 4.01Å
288	P	93.6	Very high	94.8	Very high	49 Å²	49	29.9 Å²	29.9	32%	0.318	19%	0.191	S	C	.	.			trans	-76.8	152.7	176.3	33.8	-35.1	0	0	0	110.9	Q290 N291	P288-Q290 HydrophobicContact CB-CG 4.07Å; P288-Q290 HydrophobicContact CG-CG 3.9Å; P288-Q290 PolarHBondContact O-N 3.41Å; P288-Q290 VanDerWaalsContact O-N 3.15Å; P288-N291 WeakPolarHBondContact CG-OD1 3.4Å; P288-N291 PolarHBondContact O-N 3.35Å; P288-N291 VanDerWaalsContact O-N 3.09Å
289	P	93.9	Very high	94.9	Very high	101 Å²	101	28.5 Å²	28.5	66%	0.656	18%	0.183	S	C	*	.	G	3₁₀ helix	trans	-63	-25.5	-174.1	24.2	-34.6	0	0	0	113.8	N291 V292	P289-N291 PolarHBondContact O-N 2.92Å; P289-V292 WeakPolarHBondContact O-CB 3.37Å; P289-V292 PolarHBondContact O-N 3.22Å
290	Q	92.8	Very high	95	Very high	106 Å²	106	26.7 Å²	26.7	50%	0.495	17%	0.165	S	C	.	.	G	3₁₀ helix	trans	-60.2	-23.9	176	64.2	-168.8	30.9	0	0	113.9	V27 P288 V292	V27-Q290 HydrophobicContact CG1-CB 4.3Å; V27-Q290 HydrophobicContact CG1-CG 4.23Å; V27-Q290 WeakPolarHBondContact CG1-O 3.32Å; P288-Q290 HydrophobicContact CB-CG 4.07Å; P288-Q290 HydrophobicContact CG-CG 3.9Å; P288-Q290 PolarHBondContact O-N 3.41Å; P288-Q290 VanDerWaalsContact O-N 3.15Å; Q290-V292 VanDerWaalsContact C-N 3.33Å
291	N	93.9	Very high	95	Very high	0 Å²	0	26.8 Å²	26.8	0%	0	17%	0.165	C	C	.	.	G	3₁₀ helix	trans	-85.6	-4.9	177.6	-74.8	94.6	0	0	0	112.8	V27 N29 R30 V31 L243 M287 P288 P289 G293	V27-N291 PolarHBondContact O-ND2 3.15Å; N29-N291 PolarHBondContact O-ND2 3.27Å; R30-N291 CarbonylContact C-O 3.55Å; R30-N291 VanDerWaalsContact CA-O 3.29Å; R30-N291 WeakPolarHBondContact CA-O 3.27Å; V31-N291 PolarHBondContact N-O 2.99Å; L243-N291 HydrophobicContact CD1-CB 4.24Å; L243-N291 HydrophobicContact CD2-CB 4.07Å; M287-N291 HydrophobicContact CE-CB 3.37Å; P288-N291 WeakPolarHBondContact CG-OD1 3.4Å; P288-N291 PolarHBondContact O-N 3.35Å; P288-N291 VanDerWaalsContact O-N 3.09Å; P289-N291 PolarHBondContact O-N 2.92Å; N291-G293 PolarHBondContact O-N 3.2Å
292	V	95.4	Very high	95	Very high	27 Å²	27	26.8 Å²	26.8	16%	0.164	17%	0.165	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-74.9	123.2	172.3	-177.5	0	0	0	0	108.5	V33 V278 M287 P289 Q290 V295	V33-V292 HydrophobicContact CG2-CG1 4.21Å; V278-V292 HydrophobicContact CG2-CG1 3.94Å; M287-V292 HydrophobicContact CE-CG2 4.01Å; P289-V292 WeakPolarHBondContact O-CB 3.37Å; P289-V292 PolarHBondContact O-N 3.22Å; Q290-V292 VanDerWaalsContact C-N 3.33Å; V292-V295 HydrophobicContact CG1-CG2 3.68Å
293	G	94.9	Very high	95	Very high	20 Å²	20	25.5 Å²	25.5	21%	0.206	16%	0.157	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.4	-117.5	179	0	0	0	0	0	111.5	V31 N291	V31-G293 WeakPolarHBondContact O-CA 3.34Å; V31-G293 PolarHBondContact O-N 3.29Å; N291-G293 PolarHBondContact O-N 3.2Å
294	E	95.7	Very high	94.9	Very high	87 Å²	87	21.5 Å²	21.5	41%	0.407	13%	0.132	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-75.2	134.6	178.6	-62.6	-178.9	138.5	0	0	110.7	T32 V33 Y296 R443	T32-E294 CarbonylContact C-O 3.53Å; T32-E294 WeakPolarHBondContact CA-O 3.46Å; T32-E294 HydrophobicContact CG2-CB 4.48Å; V33-E294 PolarHBondContact N-O 3.29Å; E294-Y296 HydrophobicContact CB-CE1 4.32Å; E294-Y296 HydrophobicContact CB-CE2 4.07Å; E294-Y296 PolarHBondContact OE2-OH 2.73Å; E294-R443 IonicContact OE1-NH1 2.73Å
295	V	97.1	Very high	94.6	Very high	6 Å²	6	21.6 Å²	21.6	4%	0.036	13%	0.132	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.6	108.3	178.2	-171.5	0	0	0	0	108.2	V33 L35 V278 V292 F357 T358	V33-V295 HydrophobicContact CB-CG1 4.28Å; V33-V295 HydrophobicContact CB-CG2 4.44Å; L35-V295 HydrophobicContact CD1-CG1 3.94Å; L35-V295 HydrophobicContact CG-CG1 4.45Å; V278-V295 HydrophobicContact CG2-CG1 4.5Å; V278-V295 HydrophobicContact CG2-CG2 4.1Å; V292-V295 HydrophobicContact CG1-CG2 3.68Å; V295-F357 HydrophobicContact CG1-CD1 3.91Å; V295-F357 HydrophobicContact CG1-CE1 4.27Å; V295-F357 CarbonylContact O-C 3.52Å; V295-F357 WeakPolarHBondContact O-CA 3.44Å; V295-T358 PolarHBondContact N-OG1 3.15Å; V295-T358 PolarHBondContact O-N 2.71Å; V295-T358 PolarHBondContact O-OG1 2.99Å
296	Y	97.3	Very high	94.1	Very high	4 Å²	4	24.3 Å²	24.3	2%	0.016	15%	0.149	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.7	120.4	-178.1	-61.1	-57.1	0	0	0	111.3	T32 V33 V34 L35 L51 E294 A359 R443 W444	T32-Y296 HydrophobicContact CG2-CD2 3.67Å; T32-Y296 HydrophobicContact CG2-CE2 3.36Å; V33-Y296 PolarHBondContact O-N 2.87Å; V34-Y296 HydrophobicContact CG2-CD2 4.42Å; L35-Y296 PolarHBondContact N-O 3.34Å; L51-Y296 HydrophobicContact CD1-CD2 3.84Å; L51-Y296 HydrophobicContact CD1-CE2 3.98Å; E294-Y296 HydrophobicContact CB-CE1 4.32Å; E294-Y296 HydrophobicContact CB-CE2 4.07Å; E294-Y296 PolarHBondContact OE2-OH 2.73Å; Y296-A359 WeakPolarHBondContact CA-O 3.41Å; Y296-A359 HydrophobicContact CD1-CB 3.88Å; Y296-A359 HydrophobicContact CE1-CB 3.89Å; Y296-R443 PolarHBondContact OH-NH1 3.04Å; Y296-W444 HydrophobicContact CD1-CH2 4.09Å; Y296-W444 AromaticContact CD1-CZ3 3.52Å; Y296-W444 HydrophobicContact CD1-CZ3 3.52Å; Y296-W444 AromaticContact CD2-CH2 3.99Å; Y296-W444 HydrophobicContact CD2-CH2 3.99Å; Y296-W444 AromaticContact CD2-CZ3 3.91Å; Y296-W444 HydrophobicContact CD2-CZ3 3.91Å; Y296-W444 AromaticContact CE1-CH2 3.74Å; Y296-W444 HydrophobicContact CE1-CH2 3.74Å; Y296-W444 AromaticContact CE1-CZ3 3.6Å; Y296-W444 HydrophobicContact CE1-CZ3 3.6Å; Y296-W444 AromaticContact CE2-CH2 3.64Å; Y296-W444 HydrophobicContact CE2-CH2 3.64Å; Y296-W444 AromaticContact CE2-CZ3 4Å; Y296-W444 HydrophobicContact CE2-CZ3 4Å; Y296-W444 HydrophobicContact CG-CH2 4.19Å; Y296-W444 AromaticContact CG-CZ3 3.66Å; Y296-W444 HydrophobicContact CG-CZ3 3.66Å; Y296-W444 AromaticContact CZ-CH2 3.5Å; Y296-W444 VanDerWaalsContact CZ-CH2 3.5Å; Y296-W444 AromaticContact CZ-CZ3 3.84Å
297	G	96.7	Very high	93.3	Very high	0 Å²	0	23.6 Å²	23.6	0%	0	14%	0.142	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.5	113.7	174.5	0	0	0	0	0	110.9	F357 A359 L360 A361	G297-F357 VanDerWaalsContact CA-CD1 3.46Å; G297-F357 VanDerWaalsContact CA-CE1 3.44Å; G297-A359 PolarHBondContact N-O 3.44Å; G297-L360 CarbonylContact O-C 3.42Å; G297-L360 VanDerWaalsContact O-CA 3.27Å; G297-L360 WeakPolarHBondContact O-CA 3.38Å; G297-A361 PolarHBondContact O-N 2.89Å
298	V	96.1	Very high	92.6	Very high	0 Å²	0	26.4 Å²	26.4	0%	0	16%	0.156	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.3	116.6	176.2	-169.8	0	0	0	0	109	V34 L35 A37 E42 K44 V47 A361 T363	V34-V298 HydrophobicContact CG1-CG2 3.49Å; V34-V298 VanDerWaalsContact CG1-CG2 3.49Å; L35-V298 PolarHBondContact O-N 2.57Å; A37-V298 WeakPolarHBondContact CB-O 3.48Å; A37-V298 PolarHBondContact N-O 2.81Å; E42-V298 HydrophobicContact CB-CB 4.25Å; E42-V298 HydrophobicContact CB-CG1 3.78Å; E42-V298 WeakPolarHBondContact CB-O 3.36Å; E42-V298 WeakPolarHBondContact CG-O 3.27Å; E42-V298 WeakPolarHBondContact O-CG1 3.45Å; K44-V298 HydrophobicContact CB-CG2 4.41Å; K44-V298 HydrophobicContact CG-CB 3.79Å; K44-V298 HydrophobicContact CG-CG1 4.24Å; K44-V298 HydrophobicContact CG-CG2 3.72Å; V47-V298 HydrophobicContact CB-CG2 4.3Å; V47-V298 HydrophobicContact CG2-CG1 4.33Å; V47-V298 HydrophobicContact CG2-CG2 4Å; V298-A361 HydrophobicContact CG1-CB 4.43Å; V298-A361 HydrophobicContact CG2-CB 4.28Å; V298-T363 HydrophobicContact CG1-CG2 3.7Å
299	V	95.8	Very high	92.1	Very high	0 Å²	0	24.6 Å²	24.6	0%	0	15%	0.146	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.7	128.4	-175.9	176.9	0	0	0	0	107.5	A37 L343 I348 L360 A361 L362 T363	A37-V299 HydrophobicContact CB-CG2 3.52Å; V299-L343 HydrophobicContact CG1-CD1 4.07Å; V299-I348 HydrophobicContact CG1-CD1 3.48Å; V299-I348 VanDerWaalsContact CG1-CD1 3.48Å; V299-I348 HydrophobicContact CG1-CG1 4.16Å; V299-I348 HydrophobicContact CG2-CD1 4.48Å; V299-I348 HydrophobicContact CG2-CG1 4.42Å; V299-I348 HydrophobicContact CG2-CG2 4.05Å; V299-L360 HydrophobicContact CG2-CD1 4.47Å; V299-L360 HydrophobicContact CG2-CD2 4.11Å; V299-A361 PolarHBondContact N-O 2.92Å; V299-A361 VanDerWaalsContact O-O 3.06Å; V299-L362 HydrophobicContact CB-CD1 4.37Å; V299-L362 HydrophobicContact CG1-CD1 4.03Å; V299-L362 CarbonylContact O-C 3.2Å; V299-L362 VanDerWaalsContact O-CA 3.28Å; V299-L362 WeakPolarHBondContact O-CA 3.03Å; V299-T363 PolarHBondContact O-N 2.87Å; V299-T363 PolarHBondContact O-OG1 3.4Å
300	K	95.4	Very high	91.8	Very high	0 Å²	0	20 Å²	20	0%	0	12%	0.117	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.2	143.8	169.4	-171.5	-177.3	-64.3	-179.7	0	109.3	Q38 D41 E42 Y302 T304 E329 L343 K364	Q38-K300 PolarHBondContact NE2-O 2.89Å; Q38-K300 VanDerWaalsContact OE1-CB 3.26Å; D41-K300 WeakPolarHBondContact O-CE 3.35Å; D41-K300 PolarHBondContact O-NZ 3.39Å; E42-K300 HydrophobicContact CB-CB 4.45Å; K300-Y302 CarbonylContact C-O 3.51Å; K300-Y302 VanDerWaalsContact CB-O 3.23Å; K300-Y302 WeakPolarHBondContact CB-O 3.49Å; K300-Y302 HydrophobicContact CD-CD1 4.28Å; K300-Y302 HydrophobicContact CD-CD2 4.01Å; K300-Y302 HydrophobicContact CD-CE1 3.9Å; K300-Y302 HydrophobicContact CD-CE2 3.62Å; K300-Y302 HydrophobicContact CD-CG 4.32Å; K300-Y302 WeakPolarHBondContact CD-O 3.29Å; K300-Y302 HydrophobicContact CG-CD1 4.09Å; K300-Y302 HydrophobicContact CG-CE1 3.94Å; K300-Y302 HydrophobicContact CG-CE2 4.46Å; K300-Y302 HydrophobicContact CG-CG 4.4Å; K300-Y302 WeakPolarHBondContact CG-O 3.27Å; K300-Y302 PolarHBondContact O-N 2.74Å; K300-T304 HydrophobicContact CD-CG2 4.1Å; K300-T304 PolarHBondContact NZ-OG1 3.35Å; K300-E329 IonicContact NZ-OE1 2.7Å; K300-E329 PolarHBondContact NZ-OE1 3.34Å; K300-E329 IonicContact NZ-OE2 3.66Å; K300-E329 PolarHBondContact NZ-OE2 3.48Å; K300-L343 VanDerWaalsContact O-CD1 3.23Å; K300-L343 WeakPolarHBondContact O-CD1 3.45Å; K300-K364 HydrophobicContact CD-CD 4.04Å; K300-K364 HydrophobicContact CG-CB 4.1Å; K300-K364 HydrophobicContact CG-CD 4.2Å; K300-K364 HydrophobicContact CG-CG 4.34Å
301	A	95.3	Very high	91.7	Very high	1 Å²	1	15.7 Å²	15.7	1%	0.008	10%	0.096	C	C	.	.	S	Bend	trans	-61.3	-7.5	178.5	0	0	0	0	0	114.1	L362 T363 L365 L368 Y430	A301-L362 HydrophobicContact CB-CD1 4.3Å; A301-L362 HydrophobicContact CB-CG 4.49Å; A301-T363 PolarHBondContact N-O 2.72Å; A301-L365 HydrophobicContact CB-CD1 4.25Å; A301-L368 HydrophobicContact CB-CD1 3.81Å; A301-L368 HydrophobicContact CB-CG 4.35Å; A301-Y430 HydrophobicContact CB-CE1 4.36Å; A301-Y430 PolarHBondContact O-OH 3.2Å
302	Y	95	Very high	91.6	Very high	0 Å²	0	16.7 Å²	16.7	0%	0	10%	0.103	C	C	.	.	S	Bend	trans	-145.2	168.8	170.3	59.1	-85	0	0	0	107.8	Q38 K300 T304 L323 G327 E329 G341 K364 I367 L368	Q38-Y302 PolarHBondContact NE2-O 3.17Å; K300-Y302 CarbonylContact C-O 3.51Å; K300-Y302 VanDerWaalsContact CB-O 3.23Å; K300-Y302 WeakPolarHBondContact CB-O 3.49Å; K300-Y302 HydrophobicContact CD-CD1 4.28Å; K300-Y302 HydrophobicContact CD-CD2 4.01Å; K300-Y302 HydrophobicContact CD-CE1 3.9Å; K300-Y302 HydrophobicContact CD-CE2 3.62Å; K300-Y302 HydrophobicContact CD-CG 4.32Å; K300-Y302 WeakPolarHBondContact CD-O 3.29Å; K300-Y302 HydrophobicContact CG-CD1 4.09Å; K300-Y302 HydrophobicContact CG-CE1 3.94Å; K300-Y302 HydrophobicContact CG-CE2 4.46Å; K300-Y302 HydrophobicContact CG-CG 4.4Å; K300-Y302 WeakPolarHBondContact CG-O 3.27Å; K300-Y302 PolarHBondContact O-N 2.74Å; Y302-T304 HydrophobicContact CD2-CG2 3.85Å; Y302-T304 HydrophobicContact CE2-CG2 3.48Å; Y302-T304 VanDerWaalsContact CE2-CG2 3.48Å; Y302-L323 HydrophobicContact CD1-CD2 4.17Å; Y302-L323 HydrophobicContact CD2-CB 4.43Å; Y302-L323 HydrophobicContact CD2-CD1 4.42Å; Y302-L323 HydrophobicContact CD2-CD2 4.3Å; Y302-L323 HydrophobicContact CE2-CB 4.49Å; Y302-L323 HydrophobicContact CG-CD2 4Å; Y302-G327 WeakPolarHBondContact OH-CA 3.47Å; Y302-E329 HydrophobicContact CE2-CG 4.18Å; Y302-E329 PolarHBondContact OH-OE1 2.85Å; Y302-G341 WeakPolarHBondContact CB-O 3.48Å; Y302-K364 HydrophobicContact CE1-CB 3.95Å; Y302-K364 HydrophobicContact CE1-CD 4.24Å; Y302-K364 VanDerWaalsContact OH-CD 3.27Å; Y302-K364 WeakPolarHBondContact OH-CD 3.44Å; Y302-I367 HydrophobicContact CD1-CB 4.37Å; Y302-I367 HydrophobicContact CD1-CG2 4.29Å; Y302-I367 HydrophobicContact CE1-CB 3.68Å; Y302-I367 HydrophobicContact CE1-CG1 3.89Å; Y302-I367 HydrophobicContact CE1-CG2 3.62Å; Y302-L368 HydrophobicContact CD1-CD2 4.44Å
303	T	95.1	Very high	91.5	Very high	0 Å²	0	15.4 Å²	15.4	0%	0	10%	0.095	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.4	140.1	-173.7	-47.9	0	0	0	0	110.7	Q38 W39 F311 G341 W342 L347	Q38-T303 PolarHBondContact NE2-OG1 3.37Å; W39-T303 HydrophobicContact CE3-CG2 3.71Å; W39-T303 HydrophobicContact CZ3-CG2 3.65Å; T303-F311 HydrophobicContact CG2-CE2 3.51Å; T303-F311 HydrophobicContact CG2-CZ 3.75Å; T303-F311 WeakPolarHBondContact O-CZ 3.43Å; T303-G341 PolarHBondContact N-O 3.21Å; T303-G341 PolarHBondContact O-N 2.96Å; T303-W342 WeakPolarHBondContact CB-O 3.42Å; T303-W342 PolarHBondContact OG1-O 2.86Å; T303-L347 HydrophobicContact CG2-CD1 4.34Å
304	T	93	Very high	91.5	Very high	1 Å²	1	17.1 Å²	17.1	1%	0.006	10%	0.098	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.8	146.3	175	56.1	0	0	0	0	111.2	K300 Y302 E329 R339	K300-T304 HydrophobicContact CD-CG2 4.1Å; K300-T304 PolarHBondContact NZ-OG1 3.35Å; Y302-T304 HydrophobicContact CD2-CG2 3.85Å; Y302-T304 HydrophobicContact CE2-CG2 3.48Å; Y302-T304 VanDerWaalsContact CE2-CG2 3.48Å; T304-E329 HydrophobicContact CG2-CG 4.01Å; T304-R339 CarbonylContact C-O 3.58Å; T304-R339 VanDerWaalsContact CA-O 3.24Å; T304-R339 WeakPolarHBondContact CA-O 3.23Å
305	R	89.8	Confident	91.4	Very high	3 Å²	3	14.6 Å²	14.6	1%	0.011	9%	0.086	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.9	140.5	176.4	-176.7	178.9	171.4	128	15.5	111	W39 T267 I308 A310 F311 R339	W39-R305 HydrophobicContact CB-CB 4.31Å; W39-R305 HydrophobicContact CB-CG 4.26Å; W39-R305 HydrophobicContact CD2-CB 4.44Å; W39-R305 HydrophobicContact CD2-CG 4.33Å; W39-R305 HydrophobicContact CE3-CB 4.41Å; W39-R305 HydrophobicContact CG-CB 4.4Å; W39-R305 HydrophobicContact CG-CG 4.1Å; T267-R305 PolarHBondContact OG1-NH1 3.09Å; T267-R305 PolarHBondContact OG1-NH2 3.45Å; T267-R305 VanDerWaalsContact OG1-NH2 3.09Å; R305-I308 PolarHBondContact NE-O 3.45Å; R305-I308 PolarHBondContact NH2-O 2.92Å; R305-A310 PolarHBondContact NH1-O 3.45Å; R305-F311 HydrophobicContact CB-CD1 4.01Å; R305-F311 HydrophobicContact CB-CE1 4.19Å; R305-F311 HydrophobicContact CB-CG 4.49Å; R305-R339 PolarHBondContact N-O 3.23Å; R305-R339 PolarHBondContact O-N 3.05Å
306	V	83.4	Confident	91.1	Very high	56 Å²	56	19.5 Å²	19.5	34%	0.339	12%	0.121	S	C	.	.			trans	-105.1	139.4	169.9	-179	0	0	0	0	109.1	R338	V306-R338 HydrophobicContact CG2-CB 4.24Å; V306-R338 HydrophobicContact CG2-CG 3.69Å
307	G	76.9	Confident	90.8	Very high	26 Å²	26	22.5 Å²	22.5	27%	0.268	14%	0.137	S	C	.	.	S	Bend	trans	85.3	-177	178.5	0	0	0	0	0	113.6	R339	G307-R339 PolarHBondContact O-NH1 3.2Å
308	I	76.9	Confident	90.6	Very high	67 Å²	67	30.4 Å²	30.4	34%	0.344	17%	0.174	S	C	.	.	S	Bend	trans	-82.5	171	-178.1	69.4	167.7	0	0	0	111.3	K158 N159 F270 R305	K158-I308 HydrophobicContact CB-CD1 4.09Å; N159-I308 WeakPolarHBondContact O-CD1 3.47Å; N159-I308 WeakPolarHBondContact O-CG1 3.2Å; F270-I308 HydrophobicContact CD1-CD1 4.21Å; F270-I308 HydrophobicContact CD1-CG1 3.64Å; F270-I308 HydrophobicContact CE1-CD1 3.4Å; F270-I308 HydrophobicContact CE1-CG1 3.33Å; F270-I308 HydrophobicContact CG-CG1 4.47Å; F270-I308 WeakPolarHBondContact CG-O 3.2Å; F270-I308 HydrophobicContact CZ-CD1 3.78Å; F270-I308 HydrophobicContact CZ-CG1 3.89Å; R305-I308 PolarHBondContact NE-O 3.45Å; R305-I308 PolarHBondContact NH2-O 2.92Å
309	G	83.9	Confident	90.5	Very high	11 Å²	11	33 Å²	33	11%	0.113	19%	0.187	C	C	.	.	S	Bend	trans	117.2	169.5	179.5	0	0	0	0	0	112.9	R339	G309-R339 PolarHBondContact O-NH1 3.17Å; G309-R339 PolarHBondContact O-NH2 3.34Å
310	A	86.9	Confident	90.3	Very high	5 Å²	5	33.2 Å²	33.2	4%	0.041	19%	0.19	C	C	.	.			trans	-64.2	137.3	-173.5	0	0	0	0	0	111.8	R305 L397 Q398	R305-A310 PolarHBondContact NH1-O 3.45Å; A310-L397 HydrophobicContact CB-CB 3.91Å; A310-L397 HydrophobicContact CB-CD2 3.7Å; A310-L397 HydrophobicContact CB-CG 3.58Å; A310-Q398 HydrophobicContact CB-CG 3.69Å
311	F	92.2	Very high	90.2	Very high	15 Å²	15	39.2 Å²	39.2	7%	0.066	22%	0.218	C	C	.	.			trans	-139.5	90.3	174.9	-173	-173	0	0	0	108.5	W39 T303 R305 S313 E314 R339	W39-F311 HydrophobicContact CH2-CD2 4.32Å; W39-F311 AromaticContact CZ3-CD2 3.86Å; W39-F311 HydrophobicContact CZ3-CD2 3.86Å; W39-F311 AromaticContact CZ3-CE2 3.96Å; W39-F311 HydrophobicContact CZ3-CE2 3.96Å; T303-F311 HydrophobicContact CG2-CE2 3.51Å; T303-F311 HydrophobicContact CG2-CZ 3.75Å; T303-F311 WeakPolarHBondContact O-CZ 3.43Å; R305-F311 HydrophobicContact CB-CD1 4.01Å; R305-F311 HydrophobicContact CB-CE1 4.19Å; R305-F311 HydrophobicContact CB-CG 4.49Å; F311-S313 VanDerWaalsContact C-N 3.27Å; F311-S313 VanDerWaalsContact CE2-OG 3.26Å; F311-S313 WeakPolarHBondContact CE2-OG 3.46Å; F311-S313 PolarHBondContact O-N 2.98Å; F311-E314 HydrophobicContact CB-CB 3.97Å; F311-E314 HydrophobicContact CD1-CB 3.62Å; F311-E314 HydrophobicContact CD1-CG 4Å; F311-E314 HydrophobicContact CD2-CB 4.46Å; F311-E314 HydrophobicContact CE1-CB 4.17Å; F311-E314 HydrophobicContact CE1-CG 4.45Å; F311-E314 HydrophobicContact CG-CB 3.77Å; F311-E314 VanDerWaalsContact O-CB 3.29Å; F311-E314 WeakPolarHBondContact O-CB 3.45Å; F311-E314 PolarHBondContact O-N 2.95Å; F311-E314 VanDerWaalsContact O-N 3.11Å; F311-R339 HydrophobicContact CD1-CB 3.92Å; F311-R339 HydrophobicContact CE1-CB 4.07Å
312	P	91.1	Very high	90	Very high	21 Å²	21	42.5 Å²	42.5	14%	0.136	24%	0.235	C	C	.	.	T	Hydrogen-bonded Turn	trans	-57.6	-38.1	-170.3	-28.6	36.8	0	0	0	113.8	Y380 L397 V400 V402	P312-Y380 HydrophobicContact CB-CE1 4.05Å; P312-Y380 HydrophobicContact CG-CE1 4.48Å; P312-Y380 HydrophobicContact CG-CE2 4.39Å; P312-L397 HydrophobicContact CG-CD1 3.73Å; P312-L397 HydrophobicContact CG-CG 4.19Å; P312-V400 HydrophobicContact CB-CG1 4.39Å; P312-V402 HydrophobicContact CB-CG2 3.42Å; P312-V402 VanDerWaalsContact CB-CG2 3.42Å; P312-V402 WeakPolarHBondContact O-CG2 3.5Å
313	S	92.7	Very high	90	Very high	0 Å²	0	42.5 Å²	42.5	0%	0	24%	0.235	C	C	.	.	T	Hydrogen-bonded Turn	trans	-93.4	11.9	-178.5	71.7	0	0	0	0	115.3	F311 Q315 G341 W342 Y404	F311-S313 VanDerWaalsContact C-N 3.27Å; F311-S313 VanDerWaalsContact CE2-OG 3.26Å; F311-S313 WeakPolarHBondContact CE2-OG 3.46Å; F311-S313 PolarHBondContact O-N 2.98Å; S313-Q315 PolarHBondContact O-NE2 3.32Å; S313-G341 CarbonylContact O-C 3.59Å; S313-G341 WeakPolarHBondContact O-CA 3.43Å; S313-W342 PolarHBondContact O-N 2.92Å; S313-W342 VanDerWaalsContact O-N 3.08Å; S313-W342 PolarHBondContact OG-O 2.68Å; S313-Y404 VanDerWaalsContact CA-OH 3.31Å; S313-Y404 WeakPolarHBondContact CA-OH 3.42Å
314	E	94.9	Very high	89.9	Confident	56 Å²	56	43.9 Å²	43.9	26%	0.262	24%	0.241	S	C	.	.	B	Isolated β-bridge	trans	-58	137.7	-179.6	-175.7	168.5	-144	0	0	112.3	F311 R339	F311-E314 HydrophobicContact CB-CB 3.97Å; F311-E314 HydrophobicContact CD1-CB 3.62Å; F311-E314 HydrophobicContact CD1-CG 4Å; F311-E314 HydrophobicContact CD2-CB 4.46Å; F311-E314 HydrophobicContact CE1-CB 4.17Å; F311-E314 HydrophobicContact CE1-CG 4.45Å; F311-E314 HydrophobicContact CG-CB 3.77Å; F311-E314 VanDerWaalsContact O-CB 3.29Å; F311-E314 WeakPolarHBondContact O-CB 3.45Å; F311-E314 PolarHBondContact O-N 2.95Å; F311-E314 VanDerWaalsContact O-N 3.11Å; E314-R339 VanDerWaalsContact CD-NE 3.29Å; E314-R339 WeakPolarHBondContact OE1-CB 3.24Å; E314-R339 VanDerWaalsContact OE1-CG 3.25Å; E314-R339 WeakPolarHBondContact OE1-CG 3.45Å; E314-R339 IonicContact OE1-CZ 3.59Å; E314-R339 IonicContact OE1-NE 3.29Å; E314-R339 PolarHBondContact OE1-NE 3.27Å; E314-R339 IonicContact OE1-NH2 3.67Å; E314-R339 IonicContact OE2-CZ 3.37Å; E314-R339 IonicContact OE2-NE 3.82Å; E314-R339 PolarHBondContact OE2-NE 3.05Å; E314-R339 IonicContact OE2-NH2 2.66Å; E314-R339 PolarHBondContact OE2-NH2 2.9Å
315	Q	93.6	Very high	89.8	Confident	35 Å²	35	49 Å²	49	16%	0.164	27%	0.268	C	S	.	.			trans	-113.6	97.1	175.4	-64.8	-55.5	-65.5	0	0	109.7	S313 N317 I319 G320 C340 W342	S313-Q315 PolarHBondContact O-NE2 3.32Å; Q315-N317 PolarHBondContact O-N 3.17Å; Q315-N317 VanDerWaalsContact O-N 3.12Å; Q315-N317 PolarHBondContact OE1-ND2 2.88Å; Q315-I319 HydrophobicContact CG-CG2 4.33Å; Q315-G320 WeakPolarHBondContact O-CA 3.38Å; Q315-C340 PolarHBondContact N-O 3.24Å; Q315-W342 VanDerWaalsContact CD-CD1 3.47Å; Q315-W342 HydrophobicContact CG-CG 4.34Å
316	S	90.3	Very high	89.8	Confident	109 Å²	109	53.4 Å²	53.4	76%	0.762	29%	0.285	S	S	*	.			trans	-86	46.1	174.3	-58.2	0	0	0	0	111.7
317	N	92.4	Very high	90	Very high	67 Å²	67	51.2 Å²	51.2	36%	0.358	27%	0.274	S	S	.	.	S	Bend	trans	-143.2	-175.7	-175.4	61	26.2	0	0	0	110.4	Q315 I319 G320 E321	Q315-N317 PolarHBondContact O-N 3.17Å; Q315-N317 VanDerWaalsContact O-N 3.12Å; Q315-N317 PolarHBondContact OE1-ND2 2.88Å; N317-I319 PolarHBondContact O-N 3.42Å; N317-I319 VanDerWaalsContact O-N 3.11Å; N317-I319 VanDerWaalsContact OD1-CB 3.29Å; N317-I319 WeakPolarHBondContact OD1-CB 3.16Å; N317-I319 PolarHBondContact OD1-N 2.87Å; N317-I319 VanDerWaalsContact OD1-N 3.09Å; N317-G320 PolarHBondContact O-N 3.28Å; N317-G320 PolarHBondContact OD1-N 3.01Å; N317-E321 PolarHBondContact O-N 3.44Å
318	E	92.5	Very high	90.6	Very high	166 Å²	166	56.7 Å²	56.7	78%	0.776	29%	0.29	S	S	*	.	H	α-helix	trans	-54.4	-31.5	-179.1	-61.8	178.2	-179.7	0	0	113.6	E321 L322	E318-E321 PolarHBondContact O-N 3.24Å; E318-L322 VanDerWaalsContact O-CB 3.3Å; E318-L322 WeakPolarHBondContact O-CB 3.39Å; E318-L322 PolarHBondContact O-N 3.4Å
319	I	92.9	Very high	91	Very high	53 Å²	53	53.5 Å²	53.5	27%	0.272	27%	0.274	S	S	.	.	H	α-helix	trans	-65.6	-46.1	176.9	-67	157	0	0	0	110.3	Q315 N317 E321 L322 L323 W342 F371	Q315-I319 HydrophobicContact CG-CG2 4.33Å; N317-I319 PolarHBondContact O-N 3.42Å; N317-I319 VanDerWaalsContact O-N 3.11Å; N317-I319 VanDerWaalsContact OD1-CB 3.29Å; N317-I319 WeakPolarHBondContact OD1-CB 3.16Å; N317-I319 PolarHBondContact OD1-N 2.87Å; N317-I319 VanDerWaalsContact OD1-N 3.09Å; I319-E321 VanDerWaalsContact C-N 3.33Å; I319-E321 PolarHBondContact O-N 3.39Å; I319-L322 PolarHBondContact O-N 3.15Å; I319-L323 HydrophobicContact CG2-CD1 4.16Å; I319-L323 HydrophobicContact CG2-CG 4.49Å; I319-L323 WeakPolarHBondContact O-CG 3.24Å; I319-L323 PolarHBondContact O-N 3.38Å; I319-W342 HydrophobicContact CD1-CZ2 4.01Å; I319-W342 HydrophobicContact CG1-CZ2 4.43Å; I319-W342 HydrophobicContact CG2-CH2 3.82Å; I319-W342 HydrophobicContact CG2-CZ2 3.45Å; I319-W342 VanDerWaalsContact CG2-CZ2 3.45Å; I319-F371 HydrophobicContact CB-CE1 4.43Å; I319-F371 HydrophobicContact CG1-CE1 4.29Å; I319-F371 HydrophobicContact CG2-CE1 3.83Å; I319-F371 HydrophobicContact CG2-CZ 4.22Å
320	G	92.1	Very high	90.9	Very high	6 Å²	6	57.1 Å²	57.1	6%	0.062	29%	0.29	C	S	.	.	H	α-helix	trans	-63.3	-39.6	178.4	0	0	0	0	0	112.5	Q315 N317 L323 Q324	Q315-G320 WeakPolarHBondContact O-CA 3.38Å; N317-G320 PolarHBondContact O-N 3.28Å; N317-G320 PolarHBondContact OD1-N 3.01Å; G320-L323 PolarHBondContact O-N 3.13Å; G320-Q324 VanDerWaalsContact O-CB 3.32Å; G320-Q324 WeakPolarHBondContact O-CB 3.36Å; G320-Q324 PolarHBondContact O-N 3.44Å
321	E	92.3	Very high	90.2	Very high	125 Å²	125	57.3 Å²	57.3	58%	0.584	29%	0.292	S	S	*	.	H	α-helix	trans	-65.1	-40.5	174.1	-65.5	-171.4	173.1	0	0	112	N317 E318 I319 Q324 N325	N317-E321 PolarHBondContact O-N 3.44Å; E318-E321 PolarHBondContact O-N 3.24Å; I319-E321 VanDerWaalsContact C-N 3.33Å; I319-E321 PolarHBondContact O-N 3.39Å; E321-Q324 PolarHBondContact O-N 2.88Å; E321-N325 WeakPolarHBondContact O-CB 3.23Å; E321-N325 VanDerWaalsContact O-CG 3.24Å; E321-N325 PolarHBondContact O-N 3.36Å; E321-N325 PolarHBondContact O-ND2 3.16Å
322	L	93.1	Very high	88.9	Confident	70 Å²	70	62 Å²	62	37%	0.366	32%	0.322	S	S	.	.	H	α-helix	trans	-63.9	-45.1	176.9	-174.6	61.9	0	0	0	111.8	E318 I319 Q324 N325 R326 V370 F371	E318-L322 VanDerWaalsContact O-CB 3.3Å; E318-L322 WeakPolarHBondContact O-CB 3.39Å; E318-L322 PolarHBondContact O-N 3.4Å; I319-L322 PolarHBondContact O-N 3.15Å; L322-Q324 VanDerWaalsContact C-N 3.34Å; L322-N325 PolarHBondContact O-N 2.91Å; L322-R326 HydrophobicContact CD1-CG 4.22Å; L322-R326 WeakPolarHBondContact O-CB 3.29Å; L322-R326 PolarHBondContact O-N 3.21Å; L322-V370 HydrophobicContact CD2-CG2 3.97Å; L322-V370 HydrophobicContact CG-CG2 4.48Å; L322-F371 HydrophobicContact CB-CZ 4.47Å; L322-F371 HydrophobicContact CD2-CE1 3.91Å; L322-F371 HydrophobicContact CD2-CE2 4.33Å; L322-F371 HydrophobicContact CD2-CZ 3.71Å; L322-F371 HydrophobicContact CG-CZ 4.16Å
323	L	93.9	Very high	87.5	Confident	0 Å²	0	65.3 Å²	65.3	0%	0	34%	0.342	C	S	.	.	H	α-helix	trans	-60	-44.6	173.7	-71.4	173.4	0	0	0	111.2	Y302 I319 G320 G327 C340 I367 L368 F371	Y302-L323 HydrophobicContact CD1-CD2 4.17Å; Y302-L323 HydrophobicContact CD2-CB 4.43Å; Y302-L323 HydrophobicContact CD2-CD1 4.42Å; Y302-L323 HydrophobicContact CD2-CD2 4.3Å; Y302-L323 HydrophobicContact CE2-CB 4.49Å; Y302-L323 HydrophobicContact CG-CD2 4Å; I319-L323 HydrophobicContact CG2-CD1 4.16Å; I319-L323 HydrophobicContact CG2-CG 4.49Å; I319-L323 WeakPolarHBondContact O-CG 3.24Å; I319-L323 PolarHBondContact O-N 3.38Å; G320-L323 PolarHBondContact O-N 3.13Å; L323-G327 WeakPolarHBondContact O-CA 3.44Å; L323-G327 PolarHBondContact O-N 2.98Å; L323-C340 HydrophobicContact CB-CB 3.98Å; L323-I367 HydrophobicContact CD2-CG2 4.07Å; L323-L368 HydrophobicContact CD2-CD2 3.9Å; L323-F371 HydrophobicContact CD2-CE2 3.83Å; L323-F371 HydrophobicContact CD2-CZ 3.89Å; L323-F371 HydrophobicContact CG-CZ 4.07Å
324	Q	92.4	Very high	86.2	Confident	29 Å²	29	68.8 Å²	68.8	14%	0.136	36%	0.363	C	S	.	.	H	α-helix	trans	-61.7	-46.5	179.1	-176	-179.9	91.7	0	0	111.9	G320 E321 L322 K328 E329 R338	G320-Q324 VanDerWaalsContact O-CB 3.32Å; G320-Q324 WeakPolarHBondContact O-CB 3.36Å; G320-Q324 PolarHBondContact O-N 3.44Å; E321-Q324 PolarHBondContact O-N 2.88Å; L322-Q324 VanDerWaalsContact C-N 3.34Å; Q324-K328 PolarHBondContact O-N 3.16Å; Q324-K328 VanDerWaalsContact O-N 3.17Å; Q324-E329 HydrophobicContact CG-CB 4.24Å; Q324-E329 PolarHBondContact O-N 3.32Å; Q324-R338 PolarHBondContact NE2-O 3.33Å
325	N	91.3	Very high	85	Confident	108 Å²	108	68.6 Å²	68.6	58%	0.578	38%	0.377	S	S	*	.	H	α-helix	trans	-69.4	-50.1	-177.2	-72.7	-29.2	0	0	0	112	E321 L322 K328	E321-N325 WeakPolarHBondContact O-CB 3.23Å; E321-N325 VanDerWaalsContact O-CG 3.24Å; E321-N325 PolarHBondContact O-N 3.36Å; E321-N325 PolarHBondContact O-ND2 3.16Å; L322-N325 PolarHBondContact O-N 2.91Å; N325-K328 PolarHBondContact O-N 3.5Å
326	R	91	Very high	84.1	Confident	97 Å²	97	72.4 Å²	72.4	37%	0.366	39%	0.39	S	S	.	.	H	α-helix	trans	-65.7	-44.3	179.3	-73.2	-175.8	67	90.4	-1.6	111.5	L322 K328 D366 I367 V370	L322-R326 HydrophobicContact CD1-CG 4.22Å; L322-R326 WeakPolarHBondContact O-CB 3.29Å; L322-R326 PolarHBondContact O-N 3.21Å; R326-K328 PolarHBondContact O-N 2.92Å; R326-D366 PolarHBondContact NH2-O 3.49Å; R326-I367 HydrophobicContact CB-CD1 4.22Å; R326-I367 HydrophobicContact CB-CG2 3.88Å; R326-I367 PolarHBondContact NE-O 3.14Å; R326-I367 WeakPolarHBondContact O-CD1 3.42Å; R326-V370 VanDerWaalsContact CZ-CG1 3.44Å
327	G	87.1	Confident	83.9	Confident	9 Å²	9	74 Å²	74	9%	0.093	38%	0.383	C	S	.	.	T	Hydrogen-bonded Turn	trans	-70.9	-8	179.6	0	0	0	0	0	114.9	Y302 L323 E329 K364	Y302-G327 WeakPolarHBondContact OH-CA 3.47Å; L323-G327 WeakPolarHBondContact O-CA 3.44Å; L323-G327 PolarHBondContact O-N 2.98Å; G327-E329 VanDerWaalsContact C-N 3.26Å; G327-E329 PolarHBondContact O-N 2.98Å; G327-K364 PolarHBondContact O-NZ 2.81Å
328	K	88.4	Confident	83.7	Confident	141 Å²	141	71.9 Å²	71.9	61%	0.613	37%	0.37	S	S	*	.	T	Hydrogen-bonded Turn	trans	46.7	51	-169.5	-57.2	-167.7	-176.8	-165.4	0	111.1	Q324 N325 R326 I330	Q324-K328 PolarHBondContact O-N 3.16Å; Q324-K328 VanDerWaalsContact O-N 3.17Å; N325-K328 PolarHBondContact O-N 3.5Å; R326-K328 PolarHBondContact O-N 2.92Å; K328-I330 PolarHBondContact O-N 2.97Å
329	E	86.9	Confident	83.7	Confident	0 Å²	0	67 Å²	67	0%	0	34%	0.344	C	S	.	.			trans	-82.2	70.1	-172.4	-61.3	-66.1	-178.4	0	0	111.7	K300 Y302 T304 Q324 G327 R338 K364	K300-E329 IonicContact NZ-OE1 2.7Å; K300-E329 PolarHBondContact NZ-OE1 3.34Å; K300-E329 IonicContact NZ-OE2 3.66Å; K300-E329 PolarHBondContact NZ-OE2 3.48Å; Y302-E329 HydrophobicContact CE2-CG 4.18Å; Y302-E329 PolarHBondContact OH-OE1 2.85Å; T304-E329 HydrophobicContact CG2-CG 4.01Å; Q324-E329 HydrophobicContact CG-CB 4.24Å; Q324-E329 PolarHBondContact O-N 3.32Å; G327-E329 VanDerWaalsContact C-N 3.26Å; G327-E329 PolarHBondContact O-N 2.98Å; E329-R338 HydrophobicContact CB-CB 4.03Å; E329-R338 HydrophobicContact CB-CG 4.15Å; E329-R338 WeakPolarHBondContact O-CG 3.42Å; E329-R338 PolarHBondContact O-N 2.97Å; E329-R338 WeakPolarHBondContact OE2-CD 3.13Å; E329-R338 IonicContact OE2-CZ 2.72Å; E329-R338 IonicContact OE2-NE 3.3Å; E329-R338 IonicContact OE2-NH1 2.68Å; E329-R338 PolarHBondContact OE2-NH1 2.89Å; E329-K364 VanDerWaalsContact CD-NZ 3.33Å; E329-K364 IonicContact OE1-NZ 3.68Å; E329-K364 PolarHBondContact OE1-NZ 3.43Å; E329-K364 IonicContact OE2-NZ 3.18Å
330	I	81.3	Confident	83.8	Confident	87 Å²	87	64.7 Å²	64.7	45%	0.446	33%	0.333	S	S	.	.	B	Isolated β-bridge	trans	-128.1	134.5	176.4	-56.6	174.8	0	0	0	107.6	K328 V332	K328-I330 PolarHBondContact O-N 2.97Å; I330-V332 PolarHBondContact O-N 3.44Å
331	G	72.2	Confident	83.9	Confident	10 Å²	10	64.4 Å²	64.4	10%	0.103	33%	0.33	C	S	.	.			trans	-65.1	127.2	177.8	0	0	0	0	0	111.5	G335 R336	G331-G335 VanDerWaalsContact O-CA 3.23Å; G331-G335 WeakPolarHBondContact O-CA 3.33Å; G331-G335 PolarHBondContact O-N 3.27Å; G331-R336 PolarHBondContact N-O 3.05Å
332	V	65.4	Low	84.1	Confident	113 Å²	113	58.7 Å²	58.7	69%	0.685	30%	0.303	S	S	*	.	T	Hydrogen-bonded Turn	trans	-66.6	-40.4	-177.8	-176.8	0	0	0	0	111.5	I330	I330-V332 PolarHBondContact O-N 3.44Å
333	T	61.2	Low	84.3	Confident	91 Å²	91	55.4 Å²	55.4	56%	0.558	29%	0.285	S	S	*	.	T	Hydrogen-bonded Turn	trans	-83.4	-37.8	-178	-40.2	0	0	0	0	112.8
334	T	64	Low	84.3	Confident	72 Å²	72	55.4 Å²	55.4	44%	0.442	29%	0.285	S	S	.	.	T	Hydrogen-bonded Turn	trans	-103.7	-15	-170.5	60.8	0	0	0	0	114	R336	T334-R336 PolarHBondContact O-N 2.81Å; T334-R336 VanDerWaalsContact O-N 3.14Å; T334-R336 PolarHBondContact OG1-N 3.49Å
335	G	70.8	Confident	84.4	Confident	53 Å²	53	54 Å²	54	55%	0.546	28%	0.279	S	S	.	.			trans	66.6	4.2	-172.2	0	0	0	0	0	114.6	G331	G331-G335 VanDerWaalsContact O-CA 3.23Å; G331-G335 WeakPolarHBondContact O-CA 3.33Å; G331-G335 PolarHBondContact O-N 3.27Å
336	R	74.9	Confident	84.5	Confident	115 Å²	115	49.6 Å²	49.6	43%	0.434	26%	0.256	S	S	.	.	P	Polyproline II helix	trans	-74.6	133.8	-176.6	-68.3	-179.2	179.6	175.7	-1.1	110.9	G331 T334	G331-R336 PolarHBondContact N-O 3.05Å; T334-R336 PolarHBondContact O-N 2.81Å; T334-R336 VanDerWaalsContact O-N 3.14Å; T334-R336 PolarHBondContact OG1-N 3.49Å
337	K	85.1	Confident	84.5	Confident	143 Å²	143	45 Å²	45	62%	0.622	24%	0.239	S	C	*	.	B	Isolated β-bridge	trans	-64.4	135.9	170.6	-75.4	-175.6	168.7	-157.9	0	110.2
338	R	89.2	Confident	84.8	Confident	21 Å²	21	44.6 Å²	44.6	8%	0.079	23%	0.234	C	C	.	.	P	Polyproline II helix	trans	-88.5	142.8	175.7	-45.1	-169	169.9	107.5	2.2	110.5	D41 V306 Q324 E329	D41-R338 IonicContact OD1-CZ 3.71Å; D41-R338 IonicContact OD1-NE 3.33Å; D41-R338 IonicContact OD1-NH2 3.71Å; D41-R338 PolarHBondContact OD1-NH2 2.86Å; D41-R338 WeakPolarHBondContact OD2-CD 3.46Å; D41-R338 IonicContact OD2-CZ 3.78Å; D41-R338 VanDerWaalsContact OD2-CZ 3.28Å; D41-R338 IonicContact OD2-NE 3.04Å; D41-R338 PolarHBondContact OD2-NE 3.2Å; D41-R338 IonicContact OD2-NH2 3.43Å; D41-R338 PolarHBondContact OD2-NH2 3.37Å; V306-R338 HydrophobicContact CG2-CB 4.24Å; V306-R338 HydrophobicContact CG2-CG 3.69Å; Q324-R338 PolarHBondContact NE2-O 3.33Å; E329-R338 HydrophobicContact CB-CB 4.03Å; E329-R338 HydrophobicContact CB-CG 4.15Å; E329-R338 WeakPolarHBondContact O-CG 3.42Å; E329-R338 PolarHBondContact O-N 2.97Å; E329-R338 WeakPolarHBondContact OE2-CD 3.13Å; E329-R338 IonicContact OE2-CZ 2.72Å; E329-R338 IonicContact OE2-NE 3.3Å; E329-R338 IonicContact OE2-NH1 2.68Å; E329-R338 PolarHBondContact OE2-NH1 2.89Å
339	R	91.8	Very high	85.1	Confident	63 Å²	63	41.1 Å²	41.1	24%	0.238	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-70.8	136.1	169.9	-65	162.9	66.1	-163	2.6	108	T304 R305 G307 G309 F311 E314	T304-R339 CarbonylContact C-O 3.58Å; T304-R339 VanDerWaalsContact CA-O 3.24Å; T304-R339 WeakPolarHBondContact CA-O 3.23Å; R305-R339 PolarHBondContact N-O 3.23Å; R305-R339 PolarHBondContact O-N 3.05Å; G307-R339 PolarHBondContact O-NH1 3.2Å; G309-R339 PolarHBondContact O-NH1 3.17Å; G309-R339 PolarHBondContact O-NH2 3.34Å; F311-R339 HydrophobicContact CD1-CB 3.92Å; F311-R339 HydrophobicContact CE1-CB 4.07Å; E314-R339 VanDerWaalsContact CD-NE 3.29Å; E314-R339 WeakPolarHBondContact OE1-CB 3.24Å; E314-R339 VanDerWaalsContact OE1-CG 3.25Å; E314-R339 WeakPolarHBondContact OE1-CG 3.45Å; E314-R339 IonicContact OE1-CZ 3.59Å; E314-R339 IonicContact OE1-NE 3.29Å; E314-R339 PolarHBondContact OE1-NE 3.27Å; E314-R339 IonicContact OE1-NH2 3.67Å; E314-R339 IonicContact OE2-CZ 3.37Å; E314-R339 IonicContact OE2-NE 3.82Å; E314-R339 PolarHBondContact OE2-NE 3.05Å; E314-R339 IonicContact OE2-NH2 2.66Å; E314-R339 PolarHBondContact OE2-NH2 2.9Å
340	C	95.1	Very high	85.3	Confident	5 Å²	5	43.8 Å²	43.8	3%	0.034	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.7	144.2	-175.2	-63.7	0	0	0	0	110.3	Q315 L323	Q315-C340 PolarHBondContact N-O 3.24Å; L323-C340 HydrophobicContact CB-CB 3.98Å
341	G	95.4	Very high	85.9	Confident	0 Å²	0	39.6 Å²	39.6	0%	0	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-155.7	171.5	-176.5	0	0	0	0	0	111.9	Y302 T303 S313	Y302-G341 WeakPolarHBondContact CB-O 3.48Å; T303-G341 PolarHBondContact N-O 3.21Å; T303-G341 PolarHBondContact O-N 2.96Å; S313-G341 CarbonylContact O-C 3.59Å; S313-G341 WeakPolarHBondContact O-CA 3.43Å
342	W	96.7	Very high	87	Confident	6 Å²	6	41.5 Å²	41.5	2%	0.023	21%	0.214	C	C	.	.			trans	-65.8	162.6	177.7	-71.7	120.4	0	0	0	112.3	T303 S313 Q315 I319 D344 F371 I374 K375 Y404	T303-W342 WeakPolarHBondContact CB-O 3.42Å; T303-W342 PolarHBondContact OG1-O 2.86Å; S313-W342 PolarHBondContact O-N 2.92Å; S313-W342 VanDerWaalsContact O-N 3.08Å; S313-W342 PolarHBondContact OG-O 2.68Å; Q315-W342 VanDerWaalsContact CD-CD1 3.47Å; Q315-W342 HydrophobicContact CG-CG 4.34Å; I319-W342 HydrophobicContact CD1-CZ2 4.01Å; I319-W342 HydrophobicContact CG1-CZ2 4.43Å; I319-W342 HydrophobicContact CG2-CH2 3.82Å; I319-W342 HydrophobicContact CG2-CZ2 3.45Å; I319-W342 VanDerWaalsContact CG2-CZ2 3.45Å; W342-D344 PolarHBondContact O-N 3.47Å; W342-F371 AromaticContact CH2-CD1 3.8Å; W342-F371 HydrophobicContact CH2-CD1 3.8Å; W342-F371 AromaticContact CH2-CE1 3.89Å; W342-F371 HydrophobicContact CH2-CE1 3.89Å; W342-F371 HydrophobicContact CH2-CG 4.34Å; W342-F371 HydrophobicContact CH2-CZ 4.47Å; W342-I374 HydrophobicContact CE3-CG2 4.14Å; W342-I374 HydrophobicContact CZ3-CB 4.35Å; W342-I374 HydrophobicContact CZ3-CG2 3.84Å; W342-K375 WeakPolarHBondContact CB-O 3.28Å; W342-K375 HydrophobicContact CD2-CB 3.98Å; W342-K375 HydrophobicContact CG-CB 3.95Å; W342-K375 HydrophobicContact CZ2-CB 4.47Å; W342-Y404 HydrophobicContact CB-CE1 3.95Å; W342-Y404 HydrophobicContact CG-CE1 4.31Å
343	L	96.6	Very high	88.4	Confident	0 Å²	0	42.7 Å²	42.7	0%	0	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-61.3	134.8	172.3	-172.4	66	0	0	0	109.3	V299 K300 L345 I348 V376 G377 Y430 V434	V299-L343 HydrophobicContact CG1-CD1 4.07Å; K300-L343 VanDerWaalsContact O-CD1 3.23Å; K300-L343 WeakPolarHBondContact O-CD1 3.45Å; L343-L345 HydrophobicContact CD2-CD2 3.7Å; L343-L345 HydrophobicContact CG-CD2 4.05Å; L343-I348 HydrophobicContact CD1-CD1 3.49Å; L343-I348 VanDerWaalsContact CD1-CD1 3.49Å; L343-I348 HydrophobicContact CD2-CD1 4.45Å; L343-I348 HydrophobicContact CG-CD1 4.05Å; L343-V376 HydrophobicContact CB-CG1 4.27Å; L343-V376 HydrophobicContact CD2-CG1 4.33Å; L343-V376 HydrophobicContact CG-CG1 4.43Å; L343-V376 WeakPolarHBondContact O-CA 3.45Å; L343-G377 PolarHBondContact O-N 2.91Å; L343-Y430 WeakPolarHBondContact CB-OH 3.47Å; L343-Y430 HydrophobicContact CD2-CE1 4.44Å; L343-Y430 WeakPolarHBondContact CD2-OH 3.3Å; L343-V434 HydrophobicContact CD2-CG2 3.56Å
344	D	94.5	Very high	89.9	Confident	0 Å²	0	40.5 Å²	40.5	0%	0	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.4	109.1	-179.6	-172.9	-33	0	0	0	109.3	W342 V346 L347 I348 Y380	W342-D344 PolarHBondContact O-N 3.47Å; D344-V346 WeakPolarHBondContact OD1-CB 3.43Å; D344-V346 PolarHBondContact OD1-N 3.32Å; D344-L347 HydrophobicContact CB-CB 4.42Å; D344-L347 HydrophobicContact CB-CD1 3.7Å; D344-L347 HydrophobicContact CB-CG 3.95Å; D344-L347 PolarHBondContact OD1-N 2.86Å; D344-I348 WeakPolarHBondContact O-CD1 3.39Å; D344-I348 WeakPolarHBondContact O-CG1 3.17Å; D344-I348 PolarHBondContact O-N 2.77Å; D344-Y380 VanDerWaalsContact CG-OH 3.23Å; D344-Y380 PolarHBondContact OD1-OH 3.42Å; D344-Y380 VanDerWaalsContact OD2-CE1 3.26Å; D344-Y380 WeakPolarHBondContact OD2-CE1 3.46Å; D344-Y380 VanDerWaalsContact OD2-CZ 3.3Å; D344-Y380 PolarHBondContact OD2-OH 3.22Å
345	L	94.2	Very high	91.3	Very high	0 Å²	0	37.3 Å²	37.3	0%	0	18%	0.179	C	C	.	.	H	α-helix	trans	-79.8	-20.3	-177	-59.9	-172.7	0	0	0	112.3	L343 L347 I348 K349 V376 G377 L378 F433 V434 H437 V438	L343-L345 HydrophobicContact CD2-CD2 3.7Å; L343-L345 HydrophobicContact CG-CD2 4.05Å; L345-L347 VanDerWaalsContact C-N 3.29Å; L345-I348 HydrophobicContact CD2-CD1 3.96Å; L345-I348 PolarHBondContact O-N 3.14Å; L345-K349 VanDerWaalsContact O-CB 3.27Å; L345-K349 WeakPolarHBondContact O-CB 3.23Å; L345-K349 WeakPolarHBondContact O-CG 3.23Å; L345-K349 PolarHBondContact O-N 2.95Å; L345-V376 HydrophobicContact CD1-CG1 3.72Å; L345-V376 HydrophobicContact CD2-CG1 4.19Å; L345-V376 HydrophobicContact CG-CG1 3.56Å; L345-G377 WeakPolarHBondContact CB-O 3.5Å; L345-G377 PolarHBondContact N-O 3.11Å; L345-L378 HydrophobicContact CD1-CD2 3.66Å; L345-L378 HydrophobicContact CG-CD2 4.42Å; L345-F433 HydrophobicContact CD1-CD1 4.23Å; L345-F433 HydrophobicContact CD1-CE1 3.86Å; L345-V434 HydrophobicContact CD2-CG1 4.36Å; L345-V434 HydrophobicContact CD2-CG2 4.43Å; L345-H437 HydrophobicContact CD1-CB 3.45Å; L345-H437 VanDerWaalsContact CD1-CB 3.45Å; L345-V438 HydrophobicContact CD2-CG2 4.21Å
346	V	92.3	Very high	92.5	Very high	16 Å²	16	36.8 Å²	36.8	10%	0.097	17%	0.174	C	C	.	.	H	α-helix	trans	-63	-44.1	174.1	-175.8	0	0	0	0	109	D344 Y350 L378 Y380	D344-V346 WeakPolarHBondContact OD1-CB 3.43Å; D344-V346 PolarHBondContact OD1-N 3.32Å; V346-Y350 WeakPolarHBondContact O-CB 2.98Å; V346-Y350 PolarHBondContact O-N 2.89Å; V346-L378 WeakPolarHBondContact CG2-O 3.36Å; V346-Y380 HydrophobicContact CB-CD1 4.23Å; V346-Y380 HydrophobicContact CB-CD2 4.38Å; V346-Y380 HydrophobicContact CB-CE1 3.9Å; V346-Y380 HydrophobicContact CB-CE2 4.1Å; V346-Y380 HydrophobicContact CB-CG 4.44Å; V346-Y380 HydrophobicContact CG1-CD1 4.44Å; V346-Y380 HydrophobicContact CG1-CD2 3.79Å; V346-Y380 HydrophobicContact CG1-CE1 4.36Å; V346-Y380 HydrophobicContact CG1-CE2 3.74Å; V346-Y380 HydrophobicContact CG1-CG 4.15Å; V346-Y380 HydrophobicContact CG2-CD1 3.82Å; V346-Y380 HydrophobicContact CG2-CE1 3.86Å; V346-Y380 HydrophobicContact CG2-CG 4.2Å
347	L	91.9	Very high	93.5	Very high	0 Å²	0	31.7 Å²	31.7	0%	0	16%	0.155	C	C	.	.	H	α-helix	trans	-61.7	-47	175.4	-62.2	179	0	0	0	112.8	W39 L259 T303 D344 L345 Y350 A351 Y380 F390	W39-L347 HydrophobicContact CE3-CD1 4.21Å; W39-L347 HydrophobicContact CH2-CD1 3.29Å; W39-L347 HydrophobicContact CH2-CD2 3.82Å; W39-L347 HydrophobicContact CH2-CG 4.22Å; W39-L347 HydrophobicContact CZ2-CD1 4.37Å; W39-L347 HydrophobicContact CZ2-CD2 4.33Å; W39-L347 HydrophobicContact CZ3-CD1 3.2Å; W39-L347 HydrophobicContact CZ3-CG 4.49Å; L259-L347 HydrophobicContact CD1-CB 4.08Å; L259-L347 HydrophobicContact CD1-CD1 3.81Å; L259-L347 HydrophobicContact CD1-CD2 3.94Å; L259-L347 HydrophobicContact CD1-CG 4.18Å; L259-L347 HydrophobicContact CD2-CD2 4.12Å; T303-L347 HydrophobicContact CG2-CD1 4.34Å; D344-L347 HydrophobicContact CB-CB 4.42Å; D344-L347 HydrophobicContact CB-CD1 3.7Å; D344-L347 HydrophobicContact CB-CG 3.95Å; D344-L347 PolarHBondContact OD1-N 2.86Å; L345-L347 VanDerWaalsContact C-N 3.29Å; L347-Y350 WeakPolarHBondContact O-CB 3.4Å; L347-Y350 PolarHBondContact O-N 3.44Å; L347-A351 WeakPolarHBondContact O-CB 3.1Å; L347-A351 PolarHBondContact O-N 2.82Å; L347-Y380 WeakPolarHBondContact CD2-OH 3.49Å; L347-Y380 WeakPolarHBondContact CG-OH 3.31Å; L347-F390 HydrophobicContact CD2-CD2 3.59Å; L347-F390 HydrophobicContact CD2-CE2 3.09Å; L347-F390 HydrophobicContact CD2-CZ 3.77Å; L347-F390 HydrophobicContact CG-CE2 4.49Å
348	I	93.6	Very high	94.1	Very high	0 Å²	0	28 Å²	28	0%	0	14%	0.144	C	C	.	.	H	α-helix	trans	-69.2	-40.1	-175.3	-64.5	160.1	0	0	0	110.5	V299 L343 D344 L345 Y350 A351 H352 V438	V299-I348 HydrophobicContact CG1-CD1 3.48Å; V299-I348 VanDerWaalsContact CG1-CD1 3.48Å; V299-I348 HydrophobicContact CG1-CG1 4.16Å; V299-I348 HydrophobicContact CG2-CD1 4.48Å; V299-I348 HydrophobicContact CG2-CG1 4.42Å; V299-I348 HydrophobicContact CG2-CG2 4.05Å; L343-I348 HydrophobicContact CD1-CD1 3.49Å; L343-I348 VanDerWaalsContact CD1-CD1 3.49Å; L343-I348 HydrophobicContact CD2-CD1 4.45Å; L343-I348 HydrophobicContact CG-CD1 4.05Å; D344-I348 WeakPolarHBondContact O-CD1 3.39Å; D344-I348 WeakPolarHBondContact O-CG1 3.17Å; D344-I348 PolarHBondContact O-N 2.77Å; L345-I348 HydrophobicContact CD2-CD1 3.96Å; L345-I348 PolarHBondContact O-N 3.14Å; I348-Y350 VanDerWaalsContact C-N 3.31Å; I348-Y350 PolarHBondContact O-N 3.01Å; I348-A351 PolarHBondContact O-N 2.73Å; I348-H352 WeakPolarHBondContact O-CB 3.38Å; I348-H352 PolarHBondContact O-N 2.95Å; I348-V438 HydrophobicContact CB-CG2 4.27Å; I348-V438 HydrophobicContact CG2-CB 4.48Å; I348-V438 HydrophobicContact CG2-CG1 3.9Å; I348-V438 HydrophobicContact CG2-CG2 3.64Å
349	K	93.5	Very high	94.4	Very high	68 Å²	68	27.1 Å²	27.1	30%	0.296	14%	0.141	S	C	.	.	H	α-helix	trans	-57.5	-45.8	170.9	-77.5	171.4	172.1	178.6	0	111.1	L345 H352 M353 H437	L345-K349 VanDerWaalsContact O-CB 3.27Å; L345-K349 WeakPolarHBondContact O-CB 3.23Å; L345-K349 WeakPolarHBondContact O-CG 3.23Å; L345-K349 PolarHBondContact O-N 2.95Å; K349-H352 WeakPolarHBondContact O-CB 3.48Å; K349-H352 PolarHBondContact O-N 3.5Å; K349-M353 WeakPolarHBondContact O-CG 3.44Å; K349-M353 PolarHBondContact O-N 2.96Å; K349-H437 WeakPolarHBondContact CE-O 3.29Å; K349-H437 PolarHBondContact NZ-O 3.06Å
350	Y	92.9	Very high	94.7	Very high	56 Å²	56	24.1 Å²	24.1	22%	0.22	13%	0.13	C	C	.	.	H	α-helix	trans	-63.6	-44	178.2	-172.2	-126.1	0	0	0	112.2	F264 A265 V346 L347 I348 H352 M353 I354 F390	F264-Y350 PolarHBondContact O-OH 2.93Å; A265-Y350 HydrophobicContact CB-CD1 4.34Å; A265-Y350 HydrophobicContact CB-CE1 4.23Å; V346-Y350 WeakPolarHBondContact O-CB 2.98Å; V346-Y350 PolarHBondContact O-N 2.89Å; L347-Y350 WeakPolarHBondContact O-CB 3.4Å; L347-Y350 PolarHBondContact O-N 3.44Å; I348-Y350 VanDerWaalsContact C-N 3.31Å; I348-Y350 PolarHBondContact O-N 3.01Å; Y350-H352 VanDerWaalsContact C-N 3.28Å; Y350-H352 PolarHBondContact O-N 3.36Å; Y350-M353 HydrophobicContact CD2-SD 4.47Å; Y350-M353 PolarHBondContact O-N 3.26Å; Y350-I354 HydrophobicContact CD1-CD1 4.23Å; Y350-I354 HydrophobicContact CD2-CD1 4.47Å; Y350-I354 HydrophobicContact CE1-CD1 3.93Å; Y350-I354 HydrophobicContact CE2-CD1 4.12Å; Y350-I354 HydrophobicContact CG-CD1 4.49Å; Y350-I354 PolarHBondContact O-N 2.95Å; Y350-F390 HydrophobicContact CD1-CB 3.67Å; Y350-F390 AromaticContact CD1-CD1 3.82Å; Y350-F390 HydrophobicContact CD1-CD1 3.82Å; Y350-F390 AromaticContact CD1-CG 3.85Å; Y350-F390 HydrophobicContact CD1-CG 3.85Å; Y350-F390 HydrophobicContact CD2-CB 4.05Å; Y350-F390 HydrophobicContact CE1-CB 3.97Å; Y350-F390 AromaticContact CE1-CD1 3.71Å; Y350-F390 HydrophobicContact CE1-CD1 3.71Å; Y350-F390 HydrophobicContact CE1-CG 4.13Å; Y350-F390 HydrophobicContact CE2-CB 4.39Å; Y350-F390 HydrophobicContact CG-CB 3.7Å; Y350-F390 HydrophobicContact CG-CG 4.33Å
351	A	93.8	Very high	94.8	Very high	0 Å²	0	23.9 Å²	23.9	0%	0	13%	0.129	C	C	.	.	H	α-helix	trans	-61	-36.8	173.8	0	0	0	0	0	112.1	A37 A258 L347 I348 N355 F357	A37-A351 HydrophobicContact CB-CB 4.37Å; A37-A351 WeakPolarHBondContact O-CB 3.28Å; A258-A351 HydrophobicContact CB-CB 3.9Å; L347-A351 WeakPolarHBondContact O-CB 3.1Å; L347-A351 PolarHBondContact O-N 2.82Å; I348-A351 PolarHBondContact O-N 2.73Å; A351-N355 WeakPolarHBondContact O-CB 3.46Å; A351-N355 PolarHBondContact O-N 2.85Å; A351-N355 PolarHBondContact O-ND2 3.31Å; A351-F357 HydrophobicContact CB-CE2 4.04Å; A351-F357 HydrophobicContact CB-CZ 4.45Å
352	H	95.2	Very high	94.8	Very high	50 Å²	50	24 Å²	24	23%	0.231	13%	0.129	C	C	.	.	H	α-helix	trans	-67	-43.2	174.8	175.8	62	0	0	0	112.3	I348 K349 Y350 I354 N355 G356 F357 V438 V440	I348-H352 WeakPolarHBondContact O-CB 3.38Å; I348-H352 PolarHBondContact O-N 2.95Å; K349-H352 WeakPolarHBondContact O-CB 3.48Å; K349-H352 PolarHBondContact O-N 3.5Å; Y350-H352 VanDerWaalsContact C-N 3.28Å; Y350-H352 PolarHBondContact O-N 3.36Å; H352-I354 PolarHBondContact O-N 3.46Å; H352-N355 PolarHBondContact O-N 3.08Å; H352-G356 WeakPolarHBondContact O-CA 3.45Å; H352-G356 PolarHBondContact O-N 3Å; H352-F357 HydrophobicContact CB-CD2 3.91Å; H352-F357 HydrophobicContact CB-CE2 4.47Å; H352-F357 PolarHBondContact CE1-O 3.22Å; H352-F357 VanDerWaalsContact CE1-O 3.28Å; H352-F357 PolarHBondContact ND1-N 3.36Å; H352-F357 VanDerWaalsContact ND1-N 3.16Å; H352-V438 HydrophobicContact CB-CG1 4.33Å; H352-V440 WeakPolarHBondContact CE1-CG2 3.08Å; H352-V440 VanDerWaalsContact ND1-CG2 3.29Å; H352-V440 WeakPolarHBondContact ND1-CG2 3.47Å
353	M	93.4	Very high	94.7	Very high	138 Å²	138	23.8 Å²	23.8	68%	0.68	13%	0.129	S	C	*	.	H	α-helix	trans	-55.8	-35.4	177.9	-70.2	174.4	-165.4	0	0	112.5	K349 Y350	K349-M353 WeakPolarHBondContact O-CG 3.44Å; K349-M353 PolarHBondContact O-N 2.96Å; Y350-M353 HydrophobicContact CD2-SD 4.47Å; Y350-M353 PolarHBondContact O-N 3.26Å
354	I	93.1	Very high	94.6	Very high	44 Å²	44	25.6 Å²	25.6	23%	0.226	14%	0.136	C	C	.	.	H	α-helix	trans	-83.8	-41.8	-179	-63.3	157.6	0	0	0	111.7	F264 A265 T277 Y350 H352	F264-I354 HydrophobicContact CB-CD1 3.65Å; F264-I354 HydrophobicContact CB-CG1 4.22Å; F264-I354 HydrophobicContact CB-CG2 4.25Å; F264-I354 HydrophobicContact CD2-CG2 4.38Å; F264-I354 HydrophobicContact CG-CG2 4.46Å; A265-I354 HydrophobicContact CB-CD1 3.62Å; T277-I354 HydrophobicContact CG2-CG2 3.6Å; Y350-I354 HydrophobicContact CD1-CD1 4.23Å; Y350-I354 HydrophobicContact CD2-CD1 4.47Å; Y350-I354 HydrophobicContact CE1-CD1 3.93Å; Y350-I354 HydrophobicContact CE2-CD1 4.12Å; Y350-I354 HydrophobicContact CG-CD1 4.49Å; Y350-I354 PolarHBondContact O-N 2.95Å; H352-I354 PolarHBondContact O-N 3.46Å
355	N	94.5	Very high	94.6	Very high	5 Å²	5	25.6 Å²	25.6	3%	0.027	14%	0.136	C	C	.	.	H	α-helix	trans	-94.8	-18.7	-170.3	-66.2	-58.7	0	0	0	114.5	L35 T277 V278 A351 H352 F357	L35-N355 HydrophobicContact CD1-CB 4.22Å; L35-N355 WeakPolarHBondContact CD1-OD1 3.11Å; T277-N355 WeakPolarHBondContact CA-OD1 3.35Å; T277-N355 WeakPolarHBondContact CB-OD1 3.48Å; V278-N355 PolarHBondContact N-OD1 3.49Å; A351-N355 WeakPolarHBondContact O-CB 3.46Å; A351-N355 PolarHBondContact O-N 2.85Å; A351-N355 PolarHBondContact O-ND2 3.31Å; H352-N355 PolarHBondContact O-N 3.08Å; N355-F357 HydrophobicContact CB-CD1 3.87Å; N355-F357 HydrophobicContact CB-CE1 3.42Å; N355-F357 VanDerWaalsContact CB-CE1 3.42Å; N355-F357 HydrophobicContact CB-CE2 4.33Å; N355-F357 HydrophobicContact CB-CG 4.48Å; N355-F357 HydrophobicContact CB-CZ 3.68Å
356	G	95	Very high	94.5	Very high	43 Å²	43	27 Å²	27	44%	0.443	14%	0.144	S	C	.	.			trans	59.2	49.5	-177	0	0	0	0	0	112.7	H352 T358	H352-G356 WeakPolarHBondContact O-CA 3.45Å; H352-G356 PolarHBondContact O-N 3Å; G356-T358 PolarHBondContact O-N 3.23Å
357	F	96.7	Very high	94.6	Very high	7 Å²	7	26.7 Å²	26.7	3%	0.031	14%	0.142	C	C	.	.			trans	-54.6	129.9	-178.5	-61	-47.9	0	0	0	112.1	L35 A37 V295 G297 A351 H352 N355 L360 V440	L35-F357 HydrophobicContact CB-CE1 4.14Å; L35-F357 HydrophobicContact CD1-CE1 4.45Å; A37-F357 HydrophobicContact CB-CE2 4Å; A37-F357 HydrophobicContact CB-CZ 4.17Å; V295-F357 HydrophobicContact CG1-CD1 3.91Å; V295-F357 HydrophobicContact CG1-CE1 4.27Å; V295-F357 CarbonylContact O-C 3.52Å; V295-F357 WeakPolarHBondContact O-CA 3.44Å; G297-F357 VanDerWaalsContact CA-CD1 3.46Å; G297-F357 VanDerWaalsContact CA-CE1 3.44Å; A351-F357 HydrophobicContact CB-CE2 4.04Å; A351-F357 HydrophobicContact CB-CZ 4.45Å; H352-F357 HydrophobicContact CB-CD2 3.91Å; H352-F357 HydrophobicContact CB-CE2 4.47Å; H352-F357 PolarHBondContact CE1-O 3.22Å; H352-F357 VanDerWaalsContact CE1-O 3.28Å; H352-F357 PolarHBondContact ND1-N 3.36Å; H352-F357 VanDerWaalsContact ND1-N 3.16Å; N355-F357 HydrophobicContact CB-CD1 3.87Å; N355-F357 HydrophobicContact CB-CE1 3.42Å; N355-F357 VanDerWaalsContact CB-CE1 3.42Å; N355-F357 HydrophobicContact CB-CE2 4.33Å; N355-F357 HydrophobicContact CB-CG 4.48Å; N355-F357 HydrophobicContact CB-CZ 3.68Å; F357-L360 HydrophobicContact CB-CD2 4.14Å; F357-L360 HydrophobicContact CD2-CD2 3.87Å; F357-L360 HydrophobicContact CG-CD2 4.17Å; F357-V440 HydrophobicContact CB-CG1 4.15Å
358	T	96.5	Very high	94.7	Very high	65 Å²	65	26.7 Å²	26.7	40%	0.399	14%	0.142	S	C	.	.	S	Bend	trans	-85.4	-32.1	175.4	55.3	0	0	0	0	111.7	V295 G356	V295-T358 PolarHBondContact N-OG1 3.15Å; V295-T358 PolarHBondContact O-N 2.71Å; V295-T358 PolarHBondContact O-OG1 2.99Å; G356-T358 PolarHBondContact O-N 3.23Å
359	A	96.9	Very high	94.7	Very high	3 Å²	3	27 Å²	27	3%	0.025	14%	0.143	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-153.8	161.7	171	0	0	0	0	0	111.2	Y296 G297 P441 R443 F458	Y296-A359 WeakPolarHBondContact CA-O 3.41Å; Y296-A359 HydrophobicContact CD1-CB 3.88Å; Y296-A359 HydrophobicContact CE1-CB 3.89Å; G297-A359 PolarHBondContact N-O 3.44Å; A359-P441 CarbonylContact C-O 3.51Å; A359-P441 VanDerWaalsContact CA-O 3.23Å; A359-P441 WeakPolarHBondContact CA-O 3.49Å; A359-R443 HydrophobicContact CB-CB 3.82Å; A359-F458 HydrophobicContact CB-CZ 4.47Å
360	L	97.3	Very high	94.7	Very high	1 Å²	1	26.7 Å²	26.7	1%	0.005	15%	0.147	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.7	149.5	178.1	-58.2	177.5	0	0	0	112	G297 V299 F357 V434 V438 V440 P441 V442 R443 W444	G297-L360 CarbonylContact O-C 3.42Å; G297-L360 VanDerWaalsContact O-CA 3.27Å; G297-L360 WeakPolarHBondContact O-CA 3.38Å; V299-L360 HydrophobicContact CG2-CD1 4.47Å; V299-L360 HydrophobicContact CG2-CD2 4.11Å; F357-L360 HydrophobicContact CB-CD2 4.14Å; F357-L360 HydrophobicContact CD2-CD2 3.87Å; F357-L360 HydrophobicContact CG-CD2 4.17Å; L360-V434 HydrophobicContact CD1-CG1 4.47Å; L360-V438 HydrophobicContact CD1-CB 4.4Å; L360-V438 HydrophobicContact CD1-CG1 4.13Å; L360-V440 HydrophobicContact CD1-CB 4.18Å; L360-V440 HydrophobicContact CD1-CG1 4.43Å; L360-V440 HydrophobicContact CD2-CG1 4.14Å; L360-V440 HydrophobicContact CG-CB 4.04Å; L360-V440 HydrophobicContact CG-CG1 3.74Å; L360-P441 PolarHBondContact N-O 3.18Å; L360-V442 HydrophobicContact CB-CG2 4.1Å; L360-V442 CarbonylContact O-C 3.51Å; L360-V442 WeakPolarHBondContact O-CA 3.38Å; L360-R443 PolarHBondContact O-N 3.12Å; L360-W444 PolarHBondContact O-N 2.92Å
361	A	96.6	Very high	94.7	Very high	0 Å²	0	24.7 Å²	24.7	0%	0	14%	0.14	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.7	106.3	164.4	0	0	0	0	0	108.3	V47 G297 V298 V299 W444	V47-A361 HydrophobicContact CG1-CB 4.47Å; V47-A361 HydrophobicContact CG2-CB 3.63Å; G297-A361 PolarHBondContact O-N 2.89Å; V298-A361 HydrophobicContact CG1-CB 4.43Å; V298-A361 HydrophobicContact CG2-CB 4.28Å; V299-A361 PolarHBondContact N-O 2.92Å; V299-A361 VanDerWaalsContact O-O 3.06Å; A361-W444 CarbonylContact C-O 3.39Å; A361-W444 WeakPolarHBondContact CA-O 3.31Å; A361-W444 HydrophobicContact CB-CB 4.19Å; A361-W444 HydrophobicContact CB-CE3 4.1Å
362	L	96.6	Very high	94.6	Very high	1 Å²	1	28 Å²	28	1%	0.005	16%	0.162	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.9	111.1	178.5	-172.4	68.1	0	0	0	109.6	V299 A301 L365 Y430 V431 V442 W444 I445 G446	V299-L362 HydrophobicContact CB-CD1 4.37Å; V299-L362 HydrophobicContact CG1-CD1 4.03Å; V299-L362 CarbonylContact O-C 3.2Å; V299-L362 VanDerWaalsContact O-CA 3.28Å; V299-L362 WeakPolarHBondContact O-CA 3.03Å; A301-L362 HydrophobicContact CB-CD1 4.3Å; A301-L362 HydrophobicContact CB-CG 4.49Å; L362-L365 HydrophobicContact CD2-CD1 4.32Å; L362-Y430 HydrophobicContact CD2-CD1 4.36Å; L362-Y430 HydrophobicContact CD2-CE1 4.28Å; L362-V431 HydrophobicContact CD2-CG2 3.97Å; L362-V442 HydrophobicContact CB-CG1 4.01Å; L362-W444 PolarHBondContact N-O 2.94Å; L362-I445 CarbonylContact O-C 3.58Å; L362-I445 VanDerWaalsContact O-CA 3.29Å; L362-I445 WeakPolarHBondContact O-CA 3.38Å; L362-G446 PolarHBondContact O-N 3.34Å
363	T	94.6	Very high	94.6	Very high	3 Å²	3	31 Å²	31	2%	0.018	18%	0.177	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.3	158.3	-174.3	70.2	0	0	0	0	112.4	E42 V298 V299 A301 L365 M454	E42-T363 WeakPolarHBondContact O-CB 3.35Å; E42-T363 VanDerWaalsContact O-CG2 3.3Å; E42-T363 WeakPolarHBondContact O-CG2 3.24Å; E42-T363 PolarHBondContact O-OG1 2.95Å; V298-T363 HydrophobicContact CG1-CG2 3.7Å; V299-T363 PolarHBondContact O-N 2.87Å; V299-T363 PolarHBondContact O-OG1 3.4Å; A301-T363 PolarHBondContact N-O 2.72Å; T363-L365 VanDerWaalsContact C-N 3.33Å; T363-L365 PolarHBondContact O-N 2.9Å; T363-M454 HydrophobicContact CG2-CE 4.3Å
364	K	93.1	Very high	94.6	Very high	37 Å²	37	24.5 Å²	24.5	16%	0.161	14%	0.144	C	C	.	.			trans	60.5	38.1	175.3	-60	-162	-179.7	-171.3	0	113.4	K300 Y302 G327 E329 D366 I367 G446	K300-K364 HydrophobicContact CD-CD 4.04Å; K300-K364 HydrophobicContact CG-CB 4.1Å; K300-K364 HydrophobicContact CG-CD 4.2Å; K300-K364 HydrophobicContact CG-CG 4.34Å; Y302-K364 HydrophobicContact CE1-CB 3.95Å; Y302-K364 HydrophobicContact CE1-CD 4.24Å; Y302-K364 VanDerWaalsContact OH-CD 3.27Å; Y302-K364 WeakPolarHBondContact OH-CD 3.44Å; G327-K364 PolarHBondContact O-NZ 2.81Å; E329-K364 VanDerWaalsContact CD-NZ 3.33Å; E329-K364 IonicContact OE1-NZ 3.68Å; E329-K364 PolarHBondContact OE1-NZ 3.43Å; E329-K364 IonicContact OE2-NZ 3.18Å; K364-D366 VanDerWaalsContact C-N 3.25Å; K364-D366 WeakPolarHBondContact CA-OD1 3.32Å; K364-D366 PolarHBondContact O-N 2.92Å; K364-I367 HydrophobicContact CB-CG1 3.79Å; K364-I367 HydrophobicContact CD-CG1 4.35Å; K364-I367 WeakPolarHBondContact O-CB 3.45Å; K364-I367 PolarHBondContact O-N 2.96Å; K364-G446 PolarHBondContact N-O 3.07Å
365	L	94.8	Very high	94.8	Very high	0 Å²	0	26.5 Å²	26.5	0%	0	15%	0.152	C	C	.	.	G	3₁₀ helix	trans	-64.8	-34.3	176.2	-172.3	65.3	0	0	0	111.2	A301 L362 T363 I367 L368 W410 L423 A427 Y430 V431 I445 G446 V447	A301-L365 HydrophobicContact CB-CD1 4.25Å; L362-L365 HydrophobicContact CD2-CD1 4.32Å; T363-L365 VanDerWaalsContact C-N 3.33Å; T363-L365 PolarHBondContact O-N 2.9Å; L365-I367 PolarHBondContact O-N 3.31Å; L365-I367 VanDerWaalsContact O-N 3.07Å; L365-L368 WeakPolarHBondContact O-CB 3.37Å; L365-L368 PolarHBondContact O-N 2.93Å; L365-W410 HydrophobicContact CD1-CH2 3.69Å; L365-W410 HydrophobicContact CD1-CZ2 3.88Å; L365-W410 HydrophobicContact CG-CH2 4.32Å; L365-W410 HydrophobicContact CG-CZ2 4.02Å; L365-L423 HydrophobicContact CD2-CD1 4.43Å; L365-A427 HydrophobicContact CD2-CB 4.49Å; L365-Y430 HydrophobicContact CD1-CD1 3.82Å; L365-Y430 HydrophobicContact CD1-CE1 4.16Å; L365-V431 HydrophobicContact CD2-CG2 4.3Å; L365-I445 HydrophobicContact CB-CG2 4.13Å; L365-I445 HydrophobicContact CD2-CG2 3.51Å; L365-I445 HydrophobicContact CG-CG2 4.46Å; L365-G446 PolarHBondContact N-O 2.87Å; L365-V447 HydrophobicContact CB-CG1 4.47Å
366	D	92.7	Very high	94.9	Very high	31 Å²	31	26.3 Å²	26.3	17%	0.166	15%	0.15	C	C	.	.	G	3₁₀ helix	trans	-57.6	-21.2	177.2	58.9	-66.6	0	0	0	114.4	R326 K364 L368 D369 V447	R326-D366 PolarHBondContact NH2-O 3.49Å; K364-D366 VanDerWaalsContact C-N 3.25Å; K364-D366 WeakPolarHBondContact CA-OD1 3.32Å; K364-D366 PolarHBondContact O-N 2.92Å; D366-L368 PolarHBondContact O-N 3.19Å; D366-D369 WeakPolarHBondContact O-CB 3.34Å; D366-D369 PolarHBondContact O-N 2.74Å; D366-V447 HydrophobicContact CB-CB 4.5Å; D366-V447 VanDerWaalsContact CB-O 3.31Å; D366-V447 WeakPolarHBondContact CB-O 3.45Å; D366-V447 VanDerWaalsContact OD1-C 3.32Å
367	I	93.7	Very high	94.8	Very high	9 Å²	9	24.2 Å²	24.2	5%	0.046	13%	0.129	C	C	.	.	G	3₁₀ helix	trans	-70.4	-29.3	177.5	-55	-51.6	0	0	0	110.7	Y302 L323 R326 K364 L365 D369	Y302-I367 HydrophobicContact CD1-CB 4.37Å; Y302-I367 HydrophobicContact CD1-CG2 4.29Å; Y302-I367 HydrophobicContact CE1-CB 3.68Å; Y302-I367 HydrophobicContact CE1-CG1 3.89Å; Y302-I367 HydrophobicContact CE1-CG2 3.62Å; L323-I367 HydrophobicContact CD2-CG2 4.07Å; R326-I367 HydrophobicContact CB-CD1 4.22Å; R326-I367 HydrophobicContact CB-CG2 3.88Å; R326-I367 PolarHBondContact NE-O 3.14Å; R326-I367 WeakPolarHBondContact O-CD1 3.42Å; K364-I367 HydrophobicContact CB-CG1 3.79Å; K364-I367 HydrophobicContact CD-CG1 4.35Å; K364-I367 WeakPolarHBondContact O-CB 3.45Å; K364-I367 PolarHBondContact O-N 2.96Å; L365-I367 PolarHBondContact O-N 3.31Å; L365-I367 VanDerWaalsContact O-N 3.07Å; I367-D369 VanDerWaalsContact C-N 3.32Å
368	L	94.3	Very high	94.7	Very high	0 Å²	0	25.9 Å²	25.9	0%	0	14%	0.138	C	C	.	.	G	3₁₀ helix	trans	-83.2	-5.7	-179.1	-57.4	-176.5	0	0	0	113.7	A301 Y302 L323 L365 D366 V370 F371 I374 W410 Y430	A301-L368 HydrophobicContact CB-CD1 3.81Å; A301-L368 HydrophobicContact CB-CG 4.35Å; Y302-L368 HydrophobicContact CD1-CD2 4.44Å; L323-L368 HydrophobicContact CD2-CD2 3.9Å; L365-L368 WeakPolarHBondContact O-CB 3.37Å; L365-L368 PolarHBondContact O-N 2.93Å; D366-L368 PolarHBondContact O-N 3.19Å; L368-V370 PolarHBondContact O-N 2.82Å; L368-F371 HydrophobicContact CB-CD2 4.5Å; L368-F371 HydrophobicContact CD2-CD2 4.22Å; L368-F371 HydrophobicContact CD2-CE2 4.19Å; L368-F371 PolarHBondContact O-N 2.98Å; L368-F371 VanDerWaalsContact O-N 3.15Å; L368-I374 HydrophobicContact CB-CD1 3.99Å; L368-I374 HydrophobicContact CD1-CD1 4.19Å; L368-I374 HydrophobicContact CD1-CG2 4.31Å; L368-W410 HydrophobicContact CB-CH2 3.79Å; L368-W410 HydrophobicContact CB-CZ2 3.67Å; L368-W410 HydrophobicContact CD1-CH2 4.23Å; L368-Y430 HydrophobicContact CD1-CE1 4.13Å; L368-Y430 HydrophobicContact CD1-CE2 4.37Å
369	D	93.1	Very high	94.6	Very high	6 Å²	6	23.7 Å²	23.7	3%	0.032	13%	0.127	C	C	.	.	G	3₁₀ helix	trans	-54.2	-25.6	-176.4	-72.5	-2.2	0	0	0	115.3	D366 I367 W410 K411 S412 D413 T414	D366-D369 WeakPolarHBondContact O-CB 3.34Å; D366-D369 PolarHBondContact O-N 2.74Å; I367-D369 VanDerWaalsContact C-N 3.32Å; D369-W410 PolarHBondContact OD1-NE1 2.93Å; D369-K411 CarbonylContact O-C 3.57Å; D369-K411 WeakPolarHBondContact O-CA 3.5Å; D369-K411 PolarHBondContact O-N 2.81Å; D369-S412 VanDerWaalsContact CB-O 3.22Å; D369-S412 WeakPolarHBondContact CB-O 3.23Å; D369-S412 PolarHBondContact O-N 2.85Å; D369-D413 WeakPolarHBondContact OD2-CA 3.38Å; D369-T414 VanDerWaalsContact CG-OG1 3.3Å; D369-T414 WeakPolarHBondContact OD1-CG2 3.41Å; D369-T414 PolarHBondContact OD1-OG1 2.98Å; D369-T414 PolarHBondContact OD2-N 3.08Å; D369-T414 PolarHBondContact OD2-OG1 3.16Å
370	V	93.8	Very high	94.4	Very high	61 Å²	61	23.6 Å²	23.6	37%	0.37	13%	0.126	S	C	.	.	G	3₁₀ helix	trans	-91.3	-13	-175.2	-70.4	0	0	0	0	114.8	L322 R326 L368	L322-V370 HydrophobicContact CD2-CG2 3.97Å; L322-V370 HydrophobicContact CG-CG2 4.48Å; R326-V370 VanDerWaalsContact CZ-CG1 3.44Å; L368-V370 PolarHBondContact O-N 2.82Å
371	F	92.7	Very high	94.2	Very high	15 Å²	15	26.5 Å²	26.5	7%	0.066	14%	0.138	C	C	.	.			trans	-79	140.6	-172.5	-69.8	-86.9	0	0	0	111.3	I319 L322 L323 W342 L368 I374 G409	I319-F371 HydrophobicContact CB-CE1 4.43Å; I319-F371 HydrophobicContact CG1-CE1 4.29Å; I319-F371 HydrophobicContact CG2-CE1 3.83Å; I319-F371 HydrophobicContact CG2-CZ 4.22Å; L322-F371 HydrophobicContact CB-CZ 4.47Å; L322-F371 HydrophobicContact CD2-CE1 3.91Å; L322-F371 HydrophobicContact CD2-CE2 4.33Å; L322-F371 HydrophobicContact CD2-CZ 3.71Å; L322-F371 HydrophobicContact CG-CZ 4.16Å; L323-F371 HydrophobicContact CD2-CE2 3.83Å; L323-F371 HydrophobicContact CD2-CZ 3.89Å; L323-F371 HydrophobicContact CG-CZ 4.07Å; W342-F371 AromaticContact CH2-CD1 3.8Å; W342-F371 HydrophobicContact CH2-CD1 3.8Å; W342-F371 AromaticContact CH2-CE1 3.89Å; W342-F371 HydrophobicContact CH2-CE1 3.89Å; W342-F371 HydrophobicContact CH2-CG 4.34Å; W342-F371 HydrophobicContact CH2-CZ 4.47Å; L368-F371 HydrophobicContact CB-CD2 4.5Å; L368-F371 HydrophobicContact CD2-CD2 4.22Å; L368-F371 HydrophobicContact CD2-CE2 4.19Å; L368-F371 PolarHBondContact O-N 2.98Å; L368-F371 VanDerWaalsContact O-N 3.15Å; F371-I374 HydrophobicContact CB-CG1 3.91Å; F371-G409 WeakPolarHBondContact O-CA 3.45Å
372	S	92	Very high	93.9	Very high	68 Å²	68	27.5 Å²	27.5	48%	0.476	15%	0.145	S	C	.	.	S	Bend	trans	-76.4	-34.8	166.4	46.2	0	0	0	0	112.2	G409 K411	S372-G409 PolarHBondContact O-N 2.81Å; S372-K411 VanDerWaalsContact CB-CE 3.43Å
373	E	94.5	Very high	93.4	Very high	115 Å²	115	35.1 Å²	35.1	54%	0.537	19%	0.185	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.9	136.2	-175.7	-67.5	-177.3	176.9	0	0	108.1	T406 L407	E373-T406 HydrophobicContact CB-CG2 3.85Å; E373-T406 HydrophobicContact CG-CG2 4.15Å; E373-L407 WeakPolarHBondContact CA-O 3.34Å
374	I	95.1	Very high	93	Very high	0 Å²	0	37.4 Å²	37.4	0%	0	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.1	126.7	-179.7	-61.8	163.8	0	0	0	107	W342 L368 F371 V376 L407 W410 Y430	W342-I374 HydrophobicContact CE3-CG2 4.14Å; W342-I374 HydrophobicContact CZ3-CB 4.35Å; W342-I374 HydrophobicContact CZ3-CG2 3.84Å; L368-I374 HydrophobicContact CB-CD1 3.99Å; L368-I374 HydrophobicContact CD1-CD1 4.19Å; L368-I374 HydrophobicContact CD1-CG2 4.31Å; F371-I374 HydrophobicContact CB-CG1 3.91Å; I374-V376 HydrophobicContact CG2-CG2 4.46Å; I374-L407 PolarHBondContact N-O 2.81Å; I374-L407 PolarHBondContact O-N 3.14Å; I374-W410 HydrophobicContact CD1-CE3 4.01Å; I374-W410 HydrophobicContact CD1-CH2 3.64Å; I374-W410 HydrophobicContact CD1-CZ2 4.5Å; I374-W410 HydrophobicContact CD1-CZ3 3.35Å; I374-Y430 HydrophobicContact CG2-CD2 4.28Å; I374-Y430 HydrophobicContact CG2-CE2 3.65Å
375	K	95.9	Very high	92.9	Very high	87 Å²	87	42.9 Å²	42.9	38%	0.378	24%	0.236	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.3	141.5	175.9	-65.5	-175.9	179.2	-178.1	0	110.2	W342 Y404 E405	W342-K375 WeakPolarHBondContact CB-O 3.28Å; W342-K375 HydrophobicContact CD2-CB 3.98Å; W342-K375 HydrophobicContact CG-CB 3.95Å; W342-K375 HydrophobicContact CZ2-CB 4.47Å; K375-Y404 HydrophobicContact CB-CD1 3.8Å; K375-Y404 HydrophobicContact CB-CG 4.18Å; K375-Y404 HydrophobicContact CD-CG 4.46Å; K375-E405 CarbonylContact C-O 3.59Å; K375-E405 WeakPolarHBondContact CA-O 3.42Å
376	V	96.2	Very high	92.7	Very high	0 Å²	0	47.8 Å²	47.8	0%	0	26%	0.261	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.1	124.6	177.4	-177.3	0	0	0	0	109.1	L343 L345 I374 L378 Y404 E405 L407 Y430 F433	L343-V376 HydrophobicContact CB-CG1 4.27Å; L343-V376 HydrophobicContact CD2-CG1 4.33Å; L343-V376 HydrophobicContact CG-CG1 4.43Å; L343-V376 WeakPolarHBondContact O-CA 3.45Å; L345-V376 HydrophobicContact CD1-CG1 3.72Å; L345-V376 HydrophobicContact CD2-CG1 4.19Å; L345-V376 HydrophobicContact CG-CG1 3.56Å; I374-V376 HydrophobicContact CG2-CG2 4.46Å; V376-L378 PolarHBondContact O-N 3.47Å; V376-Y404 CarbonylContact O-C 3.57Å; V376-Y404 VanDerWaalsContact O-CA 3.31Å; V376-Y404 WeakPolarHBondContact O-CA 3.42Å; V376-E405 PolarHBondContact N-O 2.86Å; V376-E405 PolarHBondContact O-N 3.44Å; V376-L407 HydrophobicContact CG2-CD1 4.06Å; V376-Y430 HydrophobicContact CG2-CE2 3.67Å; V376-F433 HydrophobicContact CB-CE1 4.08Å; V376-F433 HydrophobicContact CG1-CE1 3.92Å; V376-F433 HydrophobicContact CG2-CE1 4.44Å
377	G	94.7	Very high	92.6	Very high	0 Å²	0	47.8 Å²	47.8	0%	0	26%	0.26	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.7	120	178.6	0	0	0	0	0	111	L343 L345	L343-G377 PolarHBondContact O-N 2.91Å; L345-G377 WeakPolarHBondContact CB-O 3.5Å; L345-G377 PolarHBondContact N-O 3.11Å
378	L	93.9	Very high	92.2	Very high	41 Å²	41	53.1 Å²	53.1	22%	0.215	30%	0.296	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.1	-35.7	-175.6	-72.7	-170.2	0	0	0	114.3	L345 V346 V376 Q403 E405 F433	L345-L378 HydrophobicContact CD1-CD2 3.66Å; L345-L378 HydrophobicContact CG-CD2 4.42Å; V346-L378 WeakPolarHBondContact CG2-O 3.36Å; V376-L378 PolarHBondContact O-N 3.47Å; L378-Q403 PolarHBondContact N-O 3.36Å; L378-E405 HydrophobicContact CD1-CB 3.68Å; L378-E405 VanDerWaalsContact CD1-OE2 3.25Å; L378-E405 WeakPolarHBondContact CD1-OE2 3.5Å; L378-E405 HydrophobicContact CG-CB 4.1Å; L378-F433 HydrophobicContact CD1-CZ 4.33Å; L378-F433 HydrophobicContact CD2-CE1 3.92Å; L378-F433 HydrophobicContact CD2-CZ 3.86Å; L378-F433 HydrophobicContact CG-CZ 4.48Å
379	A	93.5	Very high	91.8	Very high	20 Å²	20	58.5 Å²	58.5	17%	0.165	32%	0.32	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-148.4	153.7	-173.5	0	0	0	0	0	110.6	I386 Q403	A379-I386 HydrophobicContact CB-CG2 4Å; A379-Q403 HydrophobicContact CB-CB 4.3Å; A379-Q403 PolarHBondContact O-N 2.86Å
380	Y	94.1	Very high	91.5	Very high	0 Å²	0	58.9 Å²	58.9	0%	0	32%	0.322	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.9	139.1	175.4	-71.6	-8.3	0	0	0	109.7	P312 D344 V346 L347 I386 I387 F390 L397 V400 V402	P312-Y380 HydrophobicContact CB-CE1 4.05Å; P312-Y380 HydrophobicContact CG-CE1 4.48Å; P312-Y380 HydrophobicContact CG-CE2 4.39Å; D344-Y380 VanDerWaalsContact CG-OH 3.23Å; D344-Y380 PolarHBondContact OD1-OH 3.42Å; D344-Y380 VanDerWaalsContact OD2-CE1 3.26Å; D344-Y380 WeakPolarHBondContact OD2-CE1 3.46Å; D344-Y380 VanDerWaalsContact OD2-CZ 3.3Å; D344-Y380 PolarHBondContact OD2-OH 3.22Å; V346-Y380 HydrophobicContact CB-CD1 4.23Å; V346-Y380 HydrophobicContact CB-CD2 4.38Å; V346-Y380 HydrophobicContact CB-CE1 3.9Å; V346-Y380 HydrophobicContact CB-CE2 4.1Å; V346-Y380 HydrophobicContact CB-CG 4.44Å; V346-Y380 HydrophobicContact CG1-CD1 4.44Å; V346-Y380 HydrophobicContact CG1-CD2 3.79Å; V346-Y380 HydrophobicContact CG1-CE1 4.36Å; V346-Y380 HydrophobicContact CG1-CE2 3.74Å; V346-Y380 HydrophobicContact CG1-CG 4.15Å; V346-Y380 HydrophobicContact CG2-CD1 3.82Å; V346-Y380 HydrophobicContact CG2-CE1 3.86Å; V346-Y380 HydrophobicContact CG2-CG 4.2Å; L347-Y380 WeakPolarHBondContact CD2-OH 3.49Å; L347-Y380 WeakPolarHBondContact CG-OH 3.31Å; Y380-I386 WeakPolarHBondContact O-CA 3.46Å; Y380-I387 HydrophobicContact CD2-CD1 4.49Å; Y380-I387 WeakPolarHBondContact O-CG1 3.16Å; Y380-I387 PolarHBondContact O-N 3.06Å; Y380-F390 AromaticContact CE2-CD2 3.68Å; Y380-F390 HydrophobicContact CE2-CD2 3.68Å; Y380-F390 AromaticContact CE2-CE2 3.88Å; Y380-F390 HydrophobicContact CE2-CE2 3.88Å; Y380-L397 HydrophobicContact CE2-CD1 4.19Å; Y380-V400 HydrophobicContact CD1-CG1 3.57Å; Y380-V400 HydrophobicContact CD2-CG1 3.84Å; Y380-V400 HydrophobicContact CD2-CG2 4.33Å; Y380-V400 HydrophobicContact CE1-CG1 4.21Å; Y380-V400 HydrophobicContact CE2-CG1 4.4Å; Y380-V400 HydrophobicContact CG-CG1 3.38Å; Y380-V402 HydrophobicContact CD1-CG2 4.11Å; Y380-V402 HydrophobicContact CE1-CG1 4.49Å; Y380-V402 HydrophobicContact CE1-CG2 3.91Å
381	K	92.2	Very high	91.3	Very high	62 Å²	62	56.3 Å²	56.3	27%	0.27	31%	0.306	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.4	128.6	176.8	-173.8	-176.7	178.2	-165.4	0	109.3	G384 E385 E401	K381-G384 WeakPolarHBondContact CE-O 3.47Å; K381-E385 CarbonylContact C-O 3.59Å; K381-E385 VanDerWaalsContact CA-O 3.23Å; K381-E385 WeakPolarHBondContact CA-O 3.33Å; K381-E401 HydrophobicContact CB-CB 4.22Å; K381-E401 PolarHBondContact N-O 2.82Å; K381-E401 PolarHBondContact O-N 3.02Å
382	V	89.6	Confident	91.1	Very high	22 Å²	22	59.7 Å²	59.7	13%	0.133	34%	0.338	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.7	128.1	177.1	-179.8	0	0	0	0	107.2	G384 E385 I387 V396 V400	V382-G384 PolarHBondContact O-N 3.43Å; V382-E385 PolarHBondContact N-O 3.49Å; V382-E385 PolarHBondContact O-N 3.29Å; V382-I387 HydrophobicContact CB-CG2 4.47Å; V382-I387 HydrophobicContact CG2-CD1 3.84Å; V382-I387 HydrophobicContact CG2-CG1 4.47Å; V382-I387 HydrophobicContact CG2-CG2 4.47Å; V382-V396 HydrophobicContact CG1-CG1 4.28Å; V382-V396 HydrophobicContact CG2-CG1 4.24Å; V382-V400 HydrophobicContact CG2-CG2 3.69Å
383	D	86.4	Confident	90.8	Very high	161 Å²	161	60 Å²	60	86%	0.861	33%	0.334	S	S	*	.	T	Hydrogen-bonded Turn	trans	50.9	30	178.1	-59.7	-34.9	0	0	0	115.5
384	G	86.5	Confident	90.4	Very high	51 Å²	51	55 Å²	55	53%	0.526	31%	0.31	S	S	.	.	T	Hydrogen-bonded Turn	trans	102.1	-18.2	-178.4	0	0	0	0	0	115	K381 V382	K381-G384 WeakPolarHBondContact CE-O 3.47Å; V382-G384 PolarHBondContact O-N 3.43Å
385	E	90.6	Very high	89.9	Confident	151 Å²	151	60 Å²	60	71%	0.706	33%	0.334	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-109	140.5	-171.9	-62.9	-168.2	168.2	0	0	112.8	K381 V382	K381-E385 CarbonylContact C-O 3.59Å; K381-E385 VanDerWaalsContact CA-O 3.23Å; K381-E385 WeakPolarHBondContact CA-O 3.33Å; V382-E385 PolarHBondContact N-O 3.49Å; V382-E385 PolarHBondContact O-N 3.29Å
386	I	91.3	Very high	89.6	Confident	104 Å²	104	58.7 Å²	58.7	53%	0.533	33%	0.333	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.8	121.9	176.2	-61.9	174.5	0	0	0	108.8	A379 Y380	A379-I386 HydrophobicContact CB-CG2 4Å; Y380-I386 WeakPolarHBondContact O-CA 3.46Å
387	I	89.8	Confident	89.2	Confident	30 Å²	30	58.8 Å²	58.8	15%	0.154	33%	0.334	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.5	137.6	177.6	59.4	171	0	0	0	110.7	Y380 V382 H389 P391	Y380-I387 HydrophobicContact CD2-CD1 4.49Å; Y380-I387 WeakPolarHBondContact O-CG1 3.16Å; Y380-I387 PolarHBondContact O-N 3.06Å; V382-I387 HydrophobicContact CB-CG2 4.47Å; V382-I387 HydrophobicContact CG2-CD1 3.84Å; V382-I387 HydrophobicContact CG2-CG1 4.47Å; V382-I387 HydrophobicContact CG2-CG2 4.47Å; I387-H389 VanDerWaalsContact C-N 3.31Å; I387-H389 WeakPolarHBondContact CD1-O 3.44Å; I387-P391 HydrophobicContact CD1-CG 3.42Å; I387-P391 VanDerWaalsContact CD1-CG 3.42Å
388	P	85.6	Confident	88.8	Confident	121 Å²	121	64.4 Å²	64.4	79%	0.786	36%	0.36	S	S	*	.	S	Bend	trans	-85.1	-3.3	-179.9	34	-36.6	0	0	0	113.5
389	H	85.5	Confident	88.5	Confident	113 Å²	113	66.7 Å²	66.7	52%	0.523	38%	0.378	S	S	.	.	S	Bend	trans	-129.8	160.8	-170.7	60.8	-88.7	0	0	0	111.8	I387 P391	I387-H389 VanDerWaalsContact C-N 3.31Å; I387-H389 WeakPolarHBondContact CD1-O 3.44Å; H389-P391 WeakPolarHBondContact O-CD 2.72Å
390	F	87.4	Confident	88.5	Confident	14 Å²	14	66.4 Å²	66.4	6%	0.061	37%	0.374	C	S	.	.			trans	-78.4	123	173	-172.7	-105.4	0	0	0	110.3	T267 L347 Y350 Y380 A392 L397	T267-F390 HydrophobicContact CG2-CE1 4.24Å; T267-F390 HydrophobicContact CG2-CZ 3.96Å; L347-F390 HydrophobicContact CD2-CD2 3.59Å; L347-F390 HydrophobicContact CD2-CE2 3.09Å; L347-F390 HydrophobicContact CD2-CZ 3.77Å; L347-F390 HydrophobicContact CG-CE2 4.49Å; Y350-F390 HydrophobicContact CD1-CB 3.67Å; Y350-F390 AromaticContact CD1-CD1 3.82Å; Y350-F390 HydrophobicContact CD1-CD1 3.82Å; Y350-F390 AromaticContact CD1-CG 3.85Å; Y350-F390 HydrophobicContact CD1-CG 3.85Å; Y350-F390 HydrophobicContact CD2-CB 4.05Å; Y350-F390 HydrophobicContact CE1-CB 3.97Å; Y350-F390 AromaticContact CE1-CD1 3.71Å; Y350-F390 HydrophobicContact CE1-CD1 3.71Å; Y350-F390 HydrophobicContact CE1-CG 4.13Å; Y350-F390 HydrophobicContact CE2-CB 4.39Å; Y350-F390 HydrophobicContact CG-CB 3.7Å; Y350-F390 HydrophobicContact CG-CG 4.33Å; Y380-F390 AromaticContact CE2-CD2 3.68Å; Y380-F390 HydrophobicContact CE2-CD2 3.68Å; Y380-F390 AromaticContact CE2-CE2 3.88Å; Y380-F390 HydrophobicContact CE2-CE2 3.88Å; F390-A392 PolarHBondContact O-N 3.37Å; F390-L397 HydrophobicContact CD2-CD1 4.31Å; F390-L397 HydrophobicContact CE1-CD2 4.15Å; F390-L397 HydrophobicContact CE2-CD1 3.51Å; F390-L397 HydrophobicContact CE2-CD2 4.12Å; F390-L397 HydrophobicContact CE2-CG 4.5Å; F390-L397 HydrophobicContact CZ-CD1 3.73Å; F390-L397 HydrophobicContact CZ-CD2 3.47Å; F390-L397 VanDerWaalsContact CZ-CD2 3.47Å; F390-L397 HydrophobicContact CZ-CG 4.28Å
391	P	89.3	Confident	88.3	Confident	7 Å²	7	72.2 Å²	72.2	5%	0.045	40%	0.401	C	S	.	.			trans	-63	128.6	177.5	-24.2	33.9	0	0	0	112.5	I387 H389 V396 L397 V400	I387-P391 HydrophobicContact CD1-CG 3.42Å; I387-P391 VanDerWaalsContact CD1-CG 3.42Å; H389-P391 WeakPolarHBondContact O-CD 2.72Å; P391-V396 HydrophobicContact CB-CB 4.19Å; P391-V396 HydrophobicContact CB-CG1 3.8Å; P391-V396 HydrophobicContact CG-CG1 4.07Å; P391-L397 HydrophobicContact CB-CB 4.37Å; P391-L397 HydrophobicContact CB-CD1 4.47Å; P391-L397 HydrophobicContact CG-CD1 4.3Å; P391-V400 HydrophobicContact CG-CG2 4.01Å
392	A	88.3	Confident	88.4	Confident	87 Å²	87	70.2 Å²	70.2	72%	0.719	40%	0.395	S	S	*	.	S	Bend	trans	-76.1	-31.9	176	0	0	0	0	0	112.8	F390	F390-A392 PolarHBondContact O-N 3.37Å
393	N	87.4	Confident	88.7	Confident	75 Å²	75	73 Å²	73	40%	0.401	41%	0.406	S	S	.	.	S	Bend	trans	-81.8	134.8	-178.3	174.3	-87.3	0	0	0	111.4	E395 V396 L397	N393-E395 VanDerWaalsContact CG-OE2 3.23Å; N393-E395 PolarHBondContact ND2-OE2 3.18Å; N393-E395 WeakPolarHBondContact OD1-CA 3.2Å; N393-E395 VanDerWaalsContact OD1-CB 3.3Å; N393-E395 WeakPolarHBondContact OD1-CB 3.35Å; N393-E395 PolarHBondContact OD1-N 3.05Å; N393-E395 PolarHBondContact OD1-OE2 3.23Å; N393-V396 HydrophobicContact CB-CB 4.35Å; N393-V396 HydrophobicContact CB-CG2 4.1Å; N393-V396 PolarHBondContact O-N 3.19Å; N393-V396 PolarHBondContact OD1-N 3.47Å; N393-L397 WeakPolarHBondContact O-CB 3.28Å; N393-L397 PolarHBondContact O-N 3.47Å
394	Q	84.4	Confident	89.1	Confident	9 Å²	9	69 Å²	69	4%	0.042	38%	0.379	C	S	.	.	H	α-helix	trans	-65.9	-41.1	-178	-76.4	-61	-62.1	0	0	113.1	T267 Y268 F270 V396 L397 Q398	T267-Q394 VanDerWaalsContact C-NE2 3.34Å; T267-Q394 VanDerWaalsContact CB-NE2 3.25Å; T267-Q394 PolarHBondContact O-NE2 3.31Å; Y268-Q394 WeakPolarHBondContact O-CG 3.27Å; Y268-Q394 PolarHBondContact O-NE2 2.79Å; F270-Q394 HydrophobicContact CD2-CG 4.35Å; F270-Q394 HydrophobicContact CE2-CG 4.23Å; Q394-V396 VanDerWaalsContact C-N 3.33Å; Q394-L397 PolarHBondContact O-N 2.99Å; Q394-Q398 VanDerWaalsContact O-CG 3.31Å; Q394-Q398 WeakPolarHBondContact O-CG 3.35Å; Q394-Q398 PolarHBondContact O-N 2.9Å
395	E	86.1	Confident	89.5	Confident	105 Å²	105	70.2 Å²	70.2	49%	0.491	37%	0.371	S	S	.	.	H	α-helix	trans	-63.9	-42.3	-179	-63.9	69.7	-152.1	0	0	110.5	N393 Q398 C399	N393-E395 VanDerWaalsContact CG-OE2 3.23Å; N393-E395 PolarHBondContact ND2-OE2 3.18Å; N393-E395 WeakPolarHBondContact OD1-CA 3.2Å; N393-E395 VanDerWaalsContact OD1-CB 3.3Å; N393-E395 WeakPolarHBondContact OD1-CB 3.35Å; N393-E395 PolarHBondContact OD1-N 3.05Å; N393-E395 PolarHBondContact OD1-OE2 3.23Å; E395-Q398 PolarHBondContact O-N 3.39Å; E395-C399 PolarHBondContact O-N 2.86Å; E395-C399 PolarHBondContact O-SG 3.44Å; E395-C399 VanDerWaalsContact O-SG 3.41Å
396	V	87.9	Confident	89.8	Confident	60 Å²	60	66.3 Å²	66.3	36%	0.364	36%	0.358	S	S	.	.	H	α-helix	trans	-62.9	-46.2	173	179.6	0	0	0	0	110.7	V382 P391 N393 Q394 Q398 C399 V400	V382-V396 HydrophobicContact CG1-CG1 4.28Å; V382-V396 HydrophobicContact CG2-CG1 4.24Å; P391-V396 HydrophobicContact CB-CB 4.19Å; P391-V396 HydrophobicContact CB-CG1 3.8Å; P391-V396 HydrophobicContact CG-CG1 4.07Å; N393-V396 HydrophobicContact CB-CB 4.35Å; N393-V396 HydrophobicContact CB-CG2 4.1Å; N393-V396 PolarHBondContact O-N 3.19Å; N393-V396 PolarHBondContact OD1-N 3.47Å; Q394-V396 VanDerWaalsContact C-N 3.33Å; V396-Q398 PolarHBondContact O-N 3.23Å; V396-C399 PolarHBondContact O-N 3.02Å; V396-V400 PolarHBondContact O-N 3.26Å
397	L	88.1	Confident	90	Very high	2 Å²	2	62.5 Å²	62.5	1%	0.01	34%	0.339	C	S	.	.	H	α-helix	trans	-63	-28.1	-179.5	-171.3	62.7	0	0	0	113	T267 A310 P312 Y380 F390 P391 N393 Q394 V400	T267-L397 HydrophobicContact CG2-CD2 3.61Å; A310-L397 HydrophobicContact CB-CB 3.91Å; A310-L397 HydrophobicContact CB-CD2 3.7Å; A310-L397 HydrophobicContact CB-CG 3.58Å; P312-L397 HydrophobicContact CG-CD1 3.73Å; P312-L397 HydrophobicContact CG-CG 4.19Å; Y380-L397 HydrophobicContact CE2-CD1 4.19Å; F390-L397 HydrophobicContact CD2-CD1 4.31Å; F390-L397 HydrophobicContact CE1-CD2 4.15Å; F390-L397 HydrophobicContact CE2-CD1 3.51Å; F390-L397 HydrophobicContact CE2-CD2 4.12Å; F390-L397 HydrophobicContact CE2-CG 4.5Å; F390-L397 HydrophobicContact CZ-CD1 3.73Å; F390-L397 HydrophobicContact CZ-CD2 3.47Å; F390-L397 VanDerWaalsContact CZ-CD2 3.47Å; F390-L397 HydrophobicContact CZ-CG 4.28Å; P391-L397 HydrophobicContact CB-CB 4.37Å; P391-L397 HydrophobicContact CB-CD1 4.47Å; P391-L397 HydrophobicContact CG-CD1 4.3Å; N393-L397 WeakPolarHBondContact O-CB 3.28Å; N393-L397 PolarHBondContact O-N 3.47Å; Q394-L397 PolarHBondContact O-N 2.99Å; L397-V400 HydrophobicContact CD1-CG2 4.39Å
398	Q	87.6	Confident	90.3	Very high	118 Å²	118	64.6 Å²	64.6	55%	0.551	35%	0.354	S	S	*	.	H	α-helix	trans	-72.5	-29.1	174.3	-75	176.1	3.7	0	0	113.1	A310 Q394 E395 V396 V400	A310-Q398 HydrophobicContact CB-CG 3.69Å; Q394-Q398 VanDerWaalsContact O-CG 3.31Å; Q394-Q398 WeakPolarHBondContact O-CG 3.35Å; Q394-Q398 PolarHBondContact O-N 2.9Å; E395-Q398 PolarHBondContact O-N 3.39Å; V396-Q398 PolarHBondContact O-N 3.23Å; Q398-V400 VanDerWaalsContact C-N 3.35Å
399	C	88.1	Confident	90.7	Very high	88 Å²	88	59.3 Å²	59.3	60%	0.595	32%	0.321	S	S	*	.	S	Bend	trans	-89.2	-0.9	-179.8	-63.2	0	0	0	0	113.3	E395 V396 E401	E395-C399 PolarHBondContact O-N 2.86Å; E395-C399 PolarHBondContact O-SG 3.44Å; E395-C399 VanDerWaalsContact O-SG 3.41Å; V396-C399 PolarHBondContact O-N 3.02Å; C399-E401 PolarHBondContact O-N 3.39Å
400	V	91.5	Very high	91.2	Very high	15 Å²	15	55 Å²	55	9%	0.091	30%	0.3	C	S	.	.	P	Polyproline II helix	trans	-66.2	126.6	179.8	166.2	0	0	0	0	111	P312 Y380 V382 P391 V396 L397 Q398 V402	P312-V400 HydrophobicContact CB-CG1 4.39Å; Y380-V400 HydrophobicContact CD1-CG1 3.57Å; Y380-V400 HydrophobicContact CD2-CG1 3.84Å; Y380-V400 HydrophobicContact CD2-CG2 4.33Å; Y380-V400 HydrophobicContact CE1-CG1 4.21Å; Y380-V400 HydrophobicContact CE2-CG1 4.4Å; Y380-V400 HydrophobicContact CG-CG1 3.38Å; V382-V400 HydrophobicContact CG2-CG2 3.69Å; P391-V400 HydrophobicContact CG-CG2 4.01Å; V396-V400 PolarHBondContact O-N 3.26Å; L397-V400 HydrophobicContact CD1-CG2 4.39Å; Q398-V400 VanDerWaalsContact C-N 3.35Å; V400-V402 HydrophobicContact CG1-CG2 4.34Å
401	E	91.5	Very high	91.4	Very high	121 Å²	121	61.5 Å²	61.5	57%	0.565	33%	0.329	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-89.1	120.8	164.3	-65.7	-178.9	171.6	0	0	109.5	K381 C399	K381-E401 HydrophobicContact CB-CB 4.22Å; K381-E401 PolarHBondContact N-O 2.82Å; K381-E401 PolarHBondContact O-N 3.02Å; C399-E401 PolarHBondContact O-N 3.39Å
402	V	94.1	Very high	91.5	Very high	21 Å²	21	63.9 Å²	63.9	13%	0.127	35%	0.346	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-84	125.5	177.9	-177.2	0	0	0	0	110.1	P312 Y380 V400 Y404	P312-V402 HydrophobicContact CB-CG2 3.42Å; P312-V402 VanDerWaalsContact CB-CG2 3.42Å; P312-V402 WeakPolarHBondContact O-CG2 3.5Å; Y380-V402 HydrophobicContact CD1-CG2 4.11Å; Y380-V402 HydrophobicContact CE1-CG1 4.49Å; Y380-V402 HydrophobicContact CE1-CG2 3.91Å; V400-V402 HydrophobicContact CG1-CG2 4.34Å; V402-Y404 HydrophobicContact CB-CD2 4.35Å; V402-Y404 HydrophobicContact CB-CE1 4.42Å; V402-Y404 HydrophobicContact CB-CE2 3.67Å; V402-Y404 HydrophobicContact CG1-CD1 4.15Å; V402-Y404 HydrophobicContact CG1-CD2 4.19Å; V402-Y404 HydrophobicContact CG1-CE1 3.74Å; V402-Y404 HydrophobicContact CG1-CE2 3.78Å; V402-Y404 HydrophobicContact CG1-CG 4.37Å; V402-Y404 VanDerWaalsContact O-CD2 3.31Å; V402-Y404 WeakPolarHBondContact O-CD2 3.35Å; V402-Y404 WeakPolarHBondContact O-CE2 3.46Å
403	Q	94.5	Very high	91.7	Very high	79 Å²	79	65.2 Å²	65.2	37%	0.369	34%	0.341	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.1	122.5	167.5	-66.4	-170.4	-1.1	0	0	109.8	L378 A379	L378-Q403 PolarHBondContact N-O 3.36Å; A379-Q403 HydrophobicContact CB-CB 4.3Å; A379-Q403 PolarHBondContact O-N 2.86Å
404	Y	95.7	Very high	91.9	Very high	78 Å²	78	61.8 Å²	61.8	31%	0.306	32%	0.323	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.2	141.2	-178.3	-66.5	-82.4	0	0	0	111.6	S313 W342 K375 V376 V402	S313-Y404 VanDerWaalsContact CA-OH 3.31Å; S313-Y404 WeakPolarHBondContact CA-OH 3.42Å; W342-Y404 HydrophobicContact CB-CE1 3.95Å; W342-Y404 HydrophobicContact CG-CE1 4.31Å; K375-Y404 HydrophobicContact CB-CD1 3.8Å; K375-Y404 HydrophobicContact CB-CG 4.18Å; K375-Y404 HydrophobicContact CD-CG 4.46Å; V376-Y404 CarbonylContact O-C 3.57Å; V376-Y404 VanDerWaalsContact O-CA 3.31Å; V376-Y404 WeakPolarHBondContact O-CA 3.42Å; V402-Y404 HydrophobicContact CB-CD2 4.35Å; V402-Y404 HydrophobicContact CB-CE1 4.42Å; V402-Y404 HydrophobicContact CB-CE2 3.67Å; V402-Y404 HydrophobicContact CG1-CD1 4.15Å; V402-Y404 HydrophobicContact CG1-CD2 4.19Å; V402-Y404 HydrophobicContact CG1-CE1 3.74Å; V402-Y404 HydrophobicContact CG1-CE2 3.78Å; V402-Y404 HydrophobicContact CG1-CG 4.37Å; V402-Y404 VanDerWaalsContact O-CD2 3.31Å; V402-Y404 WeakPolarHBondContact O-CD2 3.35Å; V402-Y404 WeakPolarHBondContact O-CE2 3.46Å
405	E	95.6	Very high	92.2	Very high	77 Å²	77	63.6 Å²	63.6	36%	0.36	34%	0.336	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.3	136.1	158.5	-174.2	166.3	162.9	0	0	109.6	K375 V376 L378 L407 F433	K375-E405 CarbonylContact C-O 3.59Å; K375-E405 WeakPolarHBondContact CA-O 3.42Å; V376-E405 PolarHBondContact N-O 2.86Å; V376-E405 PolarHBondContact O-N 3.44Å; L378-E405 HydrophobicContact CD1-CB 3.68Å; L378-E405 VanDerWaalsContact CD1-OE2 3.25Å; L378-E405 WeakPolarHBondContact CD1-OE2 3.5Å; L378-E405 HydrophobicContact CG-CB 4.1Å; E405-L407 HydrophobicContact CG-CD2 4.35Å; E405-F433 HydrophobicContact CB-CZ 4.11Å; E405-F433 HydrophobicContact CG-CE2 4.36Å; E405-F433 HydrophobicContact CG-CZ 4.15Å; E405-F433 WeakPolarHBondContact OE1-CE2 3.35Å; E405-F433 WeakPolarHBondContact OE2-CE2 3.34Å; E405-F433 VanDerWaalsContact OE2-CZ 3.28Å; E405-F433 WeakPolarHBondContact OE2-CZ 3.36Å
406	T	96.4	Very high	92.4	Very high	69 Å²	69	62.2 Å²	62.2	42%	0.423	34%	0.343	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.3	117.5	179.3	-56.6	0	0	0	0	109.3	E373	E373-T406 HydrophobicContact CB-CG2 3.85Å; E373-T406 HydrophobicContact CG-CG2 4.15Å
407	L	95.4	Very high	92.6	Very high	24 Å²	24	59.7 Å²	59.7	13%	0.126	33%	0.328	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.1	145.8	175.9	-59.2	176.2	0	0	0	110.1	E373 I374 V376 E405 G409 Y430 F433	E373-L407 WeakPolarHBondContact CA-O 3.34Å; I374-L407 PolarHBondContact N-O 2.81Å; I374-L407 PolarHBondContact O-N 3.14Å; V376-L407 HydrophobicContact CG2-CD1 4.06Å; E405-L407 HydrophobicContact CG-CD2 4.35Å; L407-G409 PolarHBondContact O-N 3.43Å; L407-Y430 HydrophobicContact CD1-CD2 3.76Å; L407-Y430 HydrophobicContact CD1-CE2 4.27Å; L407-F433 HydrophobicContact CD1-CB 4.19Å; L407-F433 HydrophobicContact CD1-CD1 3.8Å; L407-F433 HydrophobicContact CD1-CD2 4.17Å; L407-F433 HydrophobicContact CD1-CE1 4.16Å; L407-F433 HydrophobicContact CD1-CE2 4.5Å; L407-F433 HydrophobicContact CD1-CG 3.79Å; L407-F433 HydrophobicContact CD1-CZ 4.49Å; L407-F433 HydrophobicContact CD2-CD2 4.02Å; L407-F433 HydrophobicContact CD2-CE2 4.04Å; L407-F433 HydrophobicContact CD2-CG 4.48Å
408	P	96.1	Very high	92.7	Very high	73 Å²	73	64.7 Å²	64.7	47%	0.474	35%	0.347	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-67.7	131.1	173.9	29.2	-33.9	0	0	0	110
409	G	94.3	Very high	93	Very high	10 Å²	10	60.6 Å²	60.6	10%	0.103	33%	0.331	C	S	.	.	P	Polyproline II helix	trans	-76.1	173.5	170.5	0	0	0	0	0	112.1	F371 S372 L407 N426	F371-G409 WeakPolarHBondContact O-CA 3.45Å; S372-G409 PolarHBondContact O-N 2.81Å; L407-G409 PolarHBondContact O-N 3.43Å; G409-N426 PolarHBondContact O-ND2 3Å
410	W	94.8	Very high	93.2	Very high	22 Å²	22	57.8 Å²	57.8	8%	0.083	31%	0.309	C	S	.	.			trans	-109.6	-14.4	-174.5	44.8	96.6	0	0	0	115.6	L365 L368 D369 I374 S412 P424 N426 A427 Y430	L365-W410 HydrophobicContact CD1-CH2 3.69Å; L365-W410 HydrophobicContact CD1-CZ2 3.88Å; L365-W410 HydrophobicContact CG-CH2 4.32Å; L365-W410 HydrophobicContact CG-CZ2 4.02Å; L368-W410 HydrophobicContact CB-CH2 3.79Å; L368-W410 HydrophobicContact CB-CZ2 3.67Å; L368-W410 HydrophobicContact CD1-CH2 4.23Å; D369-W410 PolarHBondContact OD1-NE1 2.93Å; I374-W410 HydrophobicContact CD1-CE3 4.01Å; I374-W410 HydrophobicContact CD1-CH2 3.64Å; I374-W410 HydrophobicContact CD1-CZ2 4.5Å; I374-W410 HydrophobicContact CD1-CZ3 3.35Å; W410-S412 VanDerWaalsContact CD1-O 3.31Å; W410-S412 PolarHBondContact O-N 2.78Å; W410-P424 HydrophobicContact CB-CB 3.73Å; W410-P424 HydrophobicContact CB-CG 4.13Å; W410-P424 HydrophobicContact CG-CB 4.26Å; W410-P424 HydrophobicContact CG-CG 4.28Å; W410-N426 HydrophobicContact CB-CB 4.13Å; W410-N426 HydrophobicContact CE3-CB 4.2Å; W410-A427 HydrophobicContact CD2-CB 3.73Å; W410-A427 HydrophobicContact CE3-CB 3.85Å; W410-A427 HydrophobicContact CG-CB 4.22Å; W410-A427 HydrophobicContact CH2-CB 4.28Å; W410-A427 HydrophobicContact CZ2-CB 4.16Å; W410-A427 HydrophobicContact CZ3-CB 4.12Å; W410-Y430 HydrophobicContact CH2-CG 4.34Å; W410-Y430 HydrophobicContact CZ3-CG 4.22Å
411	K	92.4	Very high	93.2	Very high	151 Å²	151	64 Å²	64	66%	0.657	34%	0.337	S	S	*	.			trans	46.2	35.2	177.2	-68.3	-167.7	176.5	178.9	0	114.6	D369 S372	D369-K411 CarbonylContact O-C 3.57Å; D369-K411 WeakPolarHBondContact O-CA 3.5Å; D369-K411 PolarHBondContact O-N 2.81Å; S372-K411 VanDerWaalsContact CB-CE 3.43Å
412	S	91.4	Very high	93.3	Very high	58 Å²	58	63.6 Å²	63.6	41%	0.406	34%	0.335	S	S	.	.	S	Bend	trans	-140.1	142.7	-175.4	-175.7	0	0	0	0	109.4	D369 W410 T414	D369-S412 VanDerWaalsContact CB-O 3.22Å; D369-S412 WeakPolarHBondContact CB-O 3.23Å; D369-S412 PolarHBondContact O-N 2.85Å; W410-S412 VanDerWaalsContact CD1-O 3.31Å; W410-S412 PolarHBondContact O-N 2.78Å; S412-T414 PolarHBondContact O-N 2.71Å
413	D	92.6	Very high	93.3	Very high	115 Å²	115	62.8 Å²	62.8	62%	0.615	33%	0.33	S	S	*	.			trans	-70.3	125.6	176.4	-172.8	-2.4	0	0	0	110.1	D369 S415	D369-D413 WeakPolarHBondContact OD2-CA 3.38Å; D413-S415 WeakPolarHBondContact OD1-CB 3.33Å; D413-S415 PolarHBondContact OD1-N 3.09Å; D413-S415 PolarHBondContact OD1-OG 2.84Å; D413-S415 PolarHBondContact OD2-OG 3.01Å
414	T	91.9	Very high	93.3	Very high	3 Å²	3	60.6 Å²	60.6	2%	0.018	32%	0.323	C	S	.	.			trans	-106.3	-1.9	178.8	60.6	0	0	0	0	112.9	D369 S412 A416 A417 L423 P424 V447	D369-T414 VanDerWaalsContact CG-OG1 3.3Å; D369-T414 WeakPolarHBondContact OD1-CG2 3.41Å; D369-T414 PolarHBondContact OD1-OG1 2.98Å; D369-T414 PolarHBondContact OD2-N 3.08Å; D369-T414 PolarHBondContact OD2-OG1 3.16Å; S412-T414 PolarHBondContact O-N 2.71Å; T414-A416 PolarHBondContact O-N 3.46Å; T414-A416 VanDerWaalsContact O-N 3.15Å; T414-A417 VanDerWaalsContact O-CB 3.27Å; T414-A417 WeakPolarHBondContact O-CB 3.49Å; T414-A417 PolarHBondContact O-N 2.84Å; T414-L423 HydrophobicContact CG2-CD2 4.18Å; T414-P424 HydrophobicContact CG2-CG 4.01Å; T414-V447 WeakPolarHBondContact O-CB 3.26Å; T414-V447 WeakPolarHBondContact O-CG2 3.43Å
415	S	89.6	Confident	93.2	Very high	46 Å²	46	63 Å²	63	32%	0.322	34%	0.337	S	S	.	.	T	Hydrogen-bonded Turn	trans	-63.9	-25.5	-171.2	65.2	0	0	0	0	115.2	D413 R418 V447	D413-S415 WeakPolarHBondContact OD1-CB 3.33Å; D413-S415 PolarHBondContact OD1-N 3.09Å; D413-S415 PolarHBondContact OD1-OG 2.84Å; D413-S415 PolarHBondContact OD2-OG 3.01Å; S415-R418 PolarHBondContact O-NH1 2.97Å; S415-V447 VanDerWaalsContact CA-O 3.28Å; S415-V447 WeakPolarHBondContact CA-O 3.39Å
416	A	90.8	Very high	93.2	Very high	76 Å²	76	61.4 Å²	61.4	63%	0.628	33%	0.331	S	S	*	.	T	Hydrogen-bonded Turn	trans	-85.5	-11.6	176.8	0	0	0	0	0	113.8	T414 R418	T414-A416 PolarHBondContact O-N 3.46Å; T414-A416 VanDerWaalsContact O-N 3.15Å; A416-R418 PolarHBondContact O-NH1 3.41Å
417	A	91.4	Very high	93.1	Very high	7 Å²	7	58.1 Å²	58.1	6%	0.058	31%	0.31	C	S	.	.			trans	-65.4	137.2	-176.5	0	0	0	0	0	111.7	T414 E422 L423 I455	T414-A417 VanDerWaalsContact O-CB 3.27Å; T414-A417 WeakPolarHBondContact O-CB 3.49Å; T414-A417 PolarHBondContact O-N 2.84Å; A417-E422 WeakPolarHBondContact CA-OE2 3.46Å; A417-E422 HydrophobicContact CB-CB 4.09Å; A417-L423 HydrophobicContact CB-CD2 3.73Å; A417-L423 HydrophobicContact CB-CG 4.42Å; A417-I455 HydrophobicContact CB-CD1 3.89Å
418	R	91.9	Very high	93.1	Very high	107 Å²	107	58.5 Å²	58.5	40%	0.404	31%	0.312	S	S	.	.			trans	-125.4	-12	178.9	-62.7	-61.6	177.3	-90.4	-1.7	113.5	S415 A416 E422 E452	S415-R418 PolarHBondContact O-NH1 2.97Å; A416-R418 PolarHBondContact O-NH1 3.41Å; R418-E422 PolarHBondContact N-OE2 3.48Å; R418-E452 WeakPolarHBondContact CD-O 3.45Å; R418-E452 PolarHBondContact NE-O 3Å
419	S	91.9	Very high	93.1	Very high	33 Å²	33	59.8 Å²	59.8	23%	0.231	31%	0.31	C	S	.	.	S	Bend	trans	-126.5	162.7	173.6	63.4	0	0	0	0	110.9	E421 E422	S419-E421 VanDerWaalsContact C-N 3.28Å; S419-E421 WeakPolarHBondContact CB-OE2 3.45Å; S419-E422 PolarHBondContact O-N 2.92Å; S419-E422 WeakPolarHBondContact OG-CG 3.29Å; S419-E422 PolarHBondContact OG-N 3.3Å; S419-E422 PolarHBondContact OG-OE1 2.7Å
420	F	92.6	Very high	93.2	Very high	28 Å²	28	59.4 Å²	59.4	12%	0.123	31%	0.305	C	S	.	.	S	Bend	trans	-68.8	-33.3	179.2	-174.7	-109.7	0	0	0	111.8	E422 L423 Q428 V431 I445 L457	F420-E422 VanDerWaalsContact C-N 3.27Å; F420-E422 PolarHBondContact O-N 3.48Å; F420-L423 HydrophobicContact CD2-CD1 3.97Å; F420-L423 HydrophobicContact CE2-CD1 4.42Å; F420-L423 WeakPolarHBondContact O-CB 3.35Å; F420-L423 PolarHBondContact O-N 3.26Å; F420-L423 VanDerWaalsContact O-N 3.16Å; F420-Q428 HydrophobicContact CD1-CG 4.34Å; F420-Q428 HydrophobicContact CD2-CG 4.48Å; F420-Q428 HydrophobicContact CE1-CB 4.04Å; F420-Q428 HydrophobicContact CE1-CG 3.86Å; F420-Q428 HydrophobicContact CE2-CB 4.2Å; F420-Q428 HydrophobicContact CE2-CG 4.05Å; F420-Q428 HydrophobicContact CZ-CB 3.62Å; F420-Q428 HydrophobicContact CZ-CG 3.72Å; F420-Q428 PolarHBondContact O-NE2 3.35Å; F420-V431 HydrophobicContact CE2-CB 4.23Å; F420-V431 HydrophobicContact CE2-CG1 4.22Å; F420-V431 HydrophobicContact CE2-CG2 4.48Å; F420-I445 HydrophobicContact CD2-CD1 3.71Å; F420-I445 HydrophobicContact CE2-CD1 3.99Å; F420-L457 HydrophobicContact CB-CD2 3.45Å; F420-L457 VanDerWaalsContact CB-CD2 3.45Å; F420-L457 HydrophobicContact CD1-CD2 4.4Å; F420-L457 HydrophobicContact CD2-CD2 3.39Å; F420-L457 HydrophobicContact CE2-CD2 4.2Å; F420-L457 HydrophobicContact CG-CD2 3.49Å; F420-L457 VanDerWaalsContact CG-CD2 3.49Å
421	E	92.8	Very high	93.3	Very high	146 Å²	146	58.4 Å²	58.4	68%	0.682	30%	0.301	S	S	*	.	T	Hydrogen-bonded Turn	trans	-68.4	-27.3	179.7	-61.5	73.5	-160.8	0	0	112.3	S419 L423	S419-E421 VanDerWaalsContact C-N 3.28Å; S419-E421 WeakPolarHBondContact CB-OE2 3.45Å; E421-L423 VanDerWaalsContact C-N 3.27Å; E421-L423 PolarHBondContact O-N 3.25Å
422	E	92.9	Very high	93.4	Very high	112 Å²	112	57.6 Å²	57.6	52%	0.523	29%	0.294	S	S	.	.	T	Hydrogen-bonded Turn	trans	-73.4	-17	174	-77.3	162.5	-139	0	0	113.3	A417 R418 S419 F420	A417-E422 WeakPolarHBondContact CA-OE2 3.46Å; A417-E422 HydrophobicContact CB-CB 4.09Å; R418-E422 PolarHBondContact N-OE2 3.48Å; S419-E422 PolarHBondContact O-N 2.92Å; S419-E422 WeakPolarHBondContact OG-CG 3.29Å; S419-E422 PolarHBondContact OG-N 3.3Å; S419-E422 PolarHBondContact OG-OE1 2.7Å; F420-E422 VanDerWaalsContact C-N 3.27Å; F420-E422 PolarHBondContact O-N 3.48Å
423	L	93.6	Very high	93.7	Very high	5 Å²	5	55.8 Å²	55.8	3%	0.026	28%	0.279	C	S	.	.	S	Bend	trans	-72.5	142.2	176.7	-65.6	174.3	0	0	0	110.6	L365 T414 A417 F420 E421 A427 Q428 I445 V447 I455	L365-L423 HydrophobicContact CD2-CD1 4.43Å; T414-L423 HydrophobicContact CG2-CD2 4.18Å; A417-L423 HydrophobicContact CB-CD2 3.73Å; A417-L423 HydrophobicContact CB-CG 4.42Å; F420-L423 HydrophobicContact CD2-CD1 3.97Å; F420-L423 HydrophobicContact CE2-CD1 4.42Å; F420-L423 WeakPolarHBondContact O-CB 3.35Å; F420-L423 PolarHBondContact O-N 3.26Å; F420-L423 VanDerWaalsContact O-N 3.16Å; E421-L423 VanDerWaalsContact C-N 3.27Å; E421-L423 PolarHBondContact O-N 3.25Å; L423-A427 HydrophobicContact CB-CB 4.32Å; L423-Q428 HydrophobicContact CB-CG 3.92Å; L423-Q428 PolarHBondContact O-NE2 3.41Å; L423-I445 HydrophobicContact CD1-CD1 3.82Å; L423-I445 HydrophobicContact CD1-CG2 4.46Å; L423-V447 HydrophobicContact CD2-CG1 4.11Å; L423-I455 HydrophobicContact CD1-CD1 4.18Å; L423-I455 HydrophobicContact CD2-CD1 3.97Å; L423-I455 HydrophobicContact CG-CD1 4.11Å
424	P	94.6	Very high	93.8	Very high	32 Å²	32	50.3 Å²	50.3	21%	0.208	25%	0.25	C	S	.	.			trans	-54.7	148.2	172.8	-25.1	33.4	0	0	0	112.1	W410 T414 N426 A427 Q428	W410-P424 HydrophobicContact CB-CB 3.73Å; W410-P424 HydrophobicContact CB-CG 4.13Å; W410-P424 HydrophobicContact CG-CB 4.26Å; W410-P424 HydrophobicContact CG-CG 4.28Å; T414-P424 HydrophobicContact CG2-CG 4.01Å; P424-N426 PolarHBondContact O-N 3.2Å; P424-N426 VanDerWaalsContact O-N 3.12Å; P424-A427 HydrophobicContact CB-CB 4.37Å; P424-A427 WeakPolarHBondContact O-CA 3.35Å; P424-A427 WeakPolarHBondContact O-CB 2.83Å; P424-A427 PolarHBondContact O-N 3.37Å; P424-Q428 PolarHBondContact O-N 3.25Å
425	E	94.8	Very high	93.9	Very high	130 Å²	130	52.5 Å²	52.5	61%	0.607	26%	0.26	S	S	*	.	H	α-helix	trans	-53.8	-40	-177	-166.5	-168.7	156.8	0	0	112.6	Q428 K429	E425-Q428 PolarHBondContact O-N 2.73Å; E425-K429 WeakPolarHBondContact O-CG 3.42Å; E425-K429 PolarHBondContact O-N 3.48Å; E425-K429 WeakPolarHBondContact OE1-CE 3.04Å; E425-K429 IonicContact OE1-NZ 2.65Å; E425-K429 PolarHBondContact OE1-NZ 2.84Å
426	N	95.3	Very high	94.2	Very high	42 Å²	42	57.9 Å²	57.9	23%	0.225	28%	0.28	C	S	.	.	H	α-helix	trans	-69.4	-31.8	177.5	-68.7	-12.8	0	0	0	112.8	G409 W410 P424 K429 Y430	G409-N426 PolarHBondContact O-ND2 3Å; W410-N426 HydrophobicContact CB-CB 4.13Å; W410-N426 HydrophobicContact CE3-CB 4.2Å; P424-N426 PolarHBondContact O-N 3.2Å; P424-N426 VanDerWaalsContact O-N 3.12Å; N426-K429 PolarHBondContact O-N 3.41Å; N426-Y430 WeakPolarHBondContact O-CB 3.3Å; N426-Y430 PolarHBondContact O-N 2.9Å
427	A	94.8	Very high	94.4	Very high	0 Å²	0	56.6 Å²	56.6	0%	0	26%	0.261	C	S	.	.	H	α-helix	trans	-70.1	-40.9	173.9	0	0	0	0	0	111	L365 W410 L423 P424 K429 Y430 V431	L365-A427 HydrophobicContact CD2-CB 4.49Å; W410-A427 HydrophobicContact CD2-CB 3.73Å; W410-A427 HydrophobicContact CE3-CB 3.85Å; W410-A427 HydrophobicContact CG-CB 4.22Å; W410-A427 HydrophobicContact CH2-CB 4.28Å; W410-A427 HydrophobicContact CZ2-CB 4.16Å; W410-A427 HydrophobicContact CZ3-CB 4.12Å; L423-A427 HydrophobicContact CB-CB 4.32Å; P424-A427 HydrophobicContact CB-CB 4.37Å; P424-A427 WeakPolarHBondContact O-CA 3.35Å; P424-A427 WeakPolarHBondContact O-CB 2.83Å; P424-A427 PolarHBondContact O-N 3.37Å; A427-K429 VanDerWaalsContact C-N 3.35Å; A427-Y430 WeakPolarHBondContact O-CB 3.26Å; A427-Y430 PolarHBondContact O-N 3.09Å; A427-V431 WeakPolarHBondContact O-CG2 3.36Å; A427-V431 PolarHBondContact O-N 3.11Å
428	Q	95.2	Very high	94.5	Very high	32 Å²	32	56.7 Å²	56.7	15%	0.15	26%	0.261	C	S	.	.	H	α-helix	trans	-61.8	-42.8	172.6	-63.6	-178.2	28.1	0	0	111.6	F420 L423 P424 E425 Y430 V431 R432	F420-Q428 HydrophobicContact CD1-CG 4.34Å; F420-Q428 HydrophobicContact CD2-CG 4.48Å; F420-Q428 HydrophobicContact CE1-CB 4.04Å; F420-Q428 HydrophobicContact CE1-CG 3.86Å; F420-Q428 HydrophobicContact CE2-CB 4.2Å; F420-Q428 HydrophobicContact CE2-CG 4.05Å; F420-Q428 HydrophobicContact CZ-CB 3.62Å; F420-Q428 HydrophobicContact CZ-CG 3.72Å; F420-Q428 PolarHBondContact O-NE2 3.35Å; L423-Q428 HydrophobicContact CB-CG 3.92Å; L423-Q428 PolarHBondContact O-NE2 3.41Å; P424-Q428 PolarHBondContact O-N 3.25Å; E425-Q428 PolarHBondContact O-N 2.73Å; Q428-Y430 VanDerWaalsContact C-N 3.32Å; Q428-Y430 PolarHBondContact O-N 3.1Å; Q428-V431 PolarHBondContact O-N 3.12Å; Q428-R432 WeakPolarHBondContact O-CG 3.25Å; Q428-R432 PolarHBondContact O-N 2.99Å
429	K	96	Very high	94.6	Very high	100 Å²	100	54.7 Å²	54.7	44%	0.435	27%	0.273	S	S	.	.	H	α-helix	trans	-60.4	-40.6	174.2	-75.3	172	-175.9	164.6	0	111.7	E425 N426 A427 R432 F433	E425-K429 WeakPolarHBondContact O-CG 3.42Å; E425-K429 PolarHBondContact O-N 3.48Å; E425-K429 WeakPolarHBondContact OE1-CE 3.04Å; E425-K429 IonicContact OE1-NZ 2.65Å; E425-K429 PolarHBondContact OE1-NZ 2.84Å; N426-K429 PolarHBondContact O-N 3.41Å; A427-K429 VanDerWaalsContact C-N 3.35Å; K429-R432 PolarHBondContact O-N 3.01Å; K429-F433 VanDerWaalsContact O-CB 3.24Å; K429-F433 WeakPolarHBondContact O-CB 3.33Å; K429-F433 PolarHBondContact O-N 3.4Å
430	Y	96.7	Very high	94.8	Very high	3 Å²	3	53.3 Å²	53.3	1%	0.012	26%	0.263	C	S	.	.	H	α-helix	trans	-61	-45	175.9	-174.8	-92.6	0	0	0	112.2	A301 L343 L362 L365 L368 I374 V376 L407 W410 N426 A427 Q428 F433 V434	A301-Y430 HydrophobicContact CB-CE1 4.36Å; A301-Y430 PolarHBondContact O-OH 3.2Å; L343-Y430 WeakPolarHBondContact CB-OH 3.47Å; L343-Y430 HydrophobicContact CD2-CE1 4.44Å; L343-Y430 WeakPolarHBondContact CD2-OH 3.3Å; L362-Y430 HydrophobicContact CD2-CD1 4.36Å; L362-Y430 HydrophobicContact CD2-CE1 4.28Å; L365-Y430 HydrophobicContact CD1-CD1 3.82Å; L365-Y430 HydrophobicContact CD1-CE1 4.16Å; L368-Y430 HydrophobicContact CD1-CE1 4.13Å; L368-Y430 HydrophobicContact CD1-CE2 4.37Å; I374-Y430 HydrophobicContact CG2-CD2 4.28Å; I374-Y430 HydrophobicContact CG2-CE2 3.65Å; V376-Y430 HydrophobicContact CG2-CE2 3.67Å; L407-Y430 HydrophobicContact CD1-CD2 3.76Å; L407-Y430 HydrophobicContact CD1-CE2 4.27Å; W410-Y430 HydrophobicContact CH2-CG 4.34Å; W410-Y430 HydrophobicContact CZ3-CG 4.22Å; N426-Y430 WeakPolarHBondContact O-CB 3.3Å; N426-Y430 PolarHBondContact O-N 2.9Å; A427-Y430 WeakPolarHBondContact O-CB 3.26Å; A427-Y430 PolarHBondContact O-N 3.09Å; Q428-Y430 VanDerWaalsContact C-N 3.32Å; Q428-Y430 PolarHBondContact O-N 3.1Å; Y430-F433 WeakPolarHBondContact O-CB 2.98Å; Y430-F433 PolarHBondContact O-N 2.89Å; Y430-V434 HydrophobicContact CE1-CG2 4.18Å; Y430-V434 WeakPolarHBondContact O-CG2 3.36Å; Y430-V434 PolarHBondContact O-N 2.96Å; Y430-V434 VanDerWaalsContact O-N 3.14Å
431	V	95.7	Very high	95	Very high	0 Å²	0	54.6 Å²	54.6	0%	0	28%	0.275	C	S	.	.	H	α-helix	trans	-61.1	-50.5	176.6	175.1	0	0	0	0	110.8	L362 L365 F420 A427 Q428 F433 V434 E435 V442 I445	L362-V431 HydrophobicContact CD2-CG2 3.97Å; L365-V431 HydrophobicContact CD2-CG2 4.3Å; F420-V431 HydrophobicContact CE2-CB 4.23Å; F420-V431 HydrophobicContact CE2-CG1 4.22Å; F420-V431 HydrophobicContact CE2-CG2 4.48Å; A427-V431 WeakPolarHBondContact O-CG2 3.36Å; A427-V431 PolarHBondContact O-N 3.11Å; Q428-V431 PolarHBondContact O-N 3.12Å; V431-F433 VanDerWaalsContact C-N 3.26Å; V431-F433 PolarHBondContact O-N 2.89Å; V431-V434 PolarHBondContact O-N 3.19Å; V431-V434 VanDerWaalsContact O-N 3.11Å; V431-E435 WeakPolarHBondContact O-CG 3.31Å; V431-E435 PolarHBondContact O-N 2.54Å; V431-V442 HydrophobicContact CG1-CB 4.07Å; V431-V442 HydrophobicContact CG1-CG1 4.25Å; V431-V442 HydrophobicContact CG1-CG2 4.16Å; V431-I445 HydrophobicContact CG1-CD1 4.12Å; V431-I445 HydrophobicContact CG2-CD1 3.82Å; V431-I445 HydrophobicContact CG2-CG1 4.29Å
432	R	96	Very high	95.2	Very high	134 Å²	134	47.6 Å²	47.6	51%	0.506	24%	0.242	S	C	.	.	H	α-helix	trans	-60.6	-36.5	178.5	-69.9	177.9	-175.5	162	4.6	112.4	Q428 K429 V434 E435 E436	Q428-R432 WeakPolarHBondContact O-CG 3.25Å; Q428-R432 PolarHBondContact O-N 2.99Å; K429-R432 PolarHBondContact O-N 3.01Å; R432-V434 VanDerWaalsContact C-N 3.34Å; R432-V434 PolarHBondContact O-N 2.92Å; R432-E435 PolarHBondContact O-N 2.86Å; R432-E436 WeakPolarHBondContact O-CB 3.42Å; R432-E436 PolarHBondContact O-N 3.46Å
433	F	96	Very high	95.3	Very high	20 Å²	20	44.1 Å²	44.1	9%	0.088	22%	0.224	C	C	.	.	H	α-helix	trans	-61	-43.4	175.9	-174.5	-90.7	0	0	0	111.4	L345 V376 L378 E405 L407 K429 Y430 V431 H437	L345-F433 HydrophobicContact CD1-CD1 4.23Å; L345-F433 HydrophobicContact CD1-CE1 3.86Å; V376-F433 HydrophobicContact CB-CE1 4.08Å; V376-F433 HydrophobicContact CG1-CE1 3.92Å; V376-F433 HydrophobicContact CG2-CE1 4.44Å; L378-F433 HydrophobicContact CD1-CZ 4.33Å; L378-F433 HydrophobicContact CD2-CE1 3.92Å; L378-F433 HydrophobicContact CD2-CZ 3.86Å; L378-F433 HydrophobicContact CG-CZ 4.48Å; E405-F433 HydrophobicContact CB-CZ 4.11Å; E405-F433 HydrophobicContact CG-CE2 4.36Å; E405-F433 HydrophobicContact CG-CZ 4.15Å; E405-F433 WeakPolarHBondContact OE1-CE2 3.35Å; E405-F433 WeakPolarHBondContact OE2-CE2 3.34Å; E405-F433 VanDerWaalsContact OE2-CZ 3.28Å; E405-F433 WeakPolarHBondContact OE2-CZ 3.36Å; L407-F433 HydrophobicContact CD1-CB 4.19Å; L407-F433 HydrophobicContact CD1-CD1 3.8Å; L407-F433 HydrophobicContact CD1-CD2 4.17Å; L407-F433 HydrophobicContact CD1-CE1 4.16Å; L407-F433 HydrophobicContact CD1-CE2 4.5Å; L407-F433 HydrophobicContact CD1-CG 3.79Å; L407-F433 HydrophobicContact CD1-CZ 4.49Å; L407-F433 HydrophobicContact CD2-CD2 4.02Å; L407-F433 HydrophobicContact CD2-CE2 4.04Å; L407-F433 HydrophobicContact CD2-CG 4.48Å; K429-F433 VanDerWaalsContact O-CB 3.24Å; K429-F433 WeakPolarHBondContact O-CB 3.33Å; K429-F433 PolarHBondContact O-N 3.4Å; Y430-F433 WeakPolarHBondContact O-CB 2.98Å; Y430-F433 PolarHBondContact O-N 2.89Å; V431-F433 VanDerWaalsContact C-N 3.26Å; V431-F433 PolarHBondContact O-N 2.89Å; F433-H437 AromaticContact CD1-ND1 3.86Å; F433-H437 AromaticContact CD2-CE1 3.55Å; F433-H437 AromaticContact CD2-ND1 3.84Å; F433-H437 AromaticContact CE1-CE1 3.85Å; F433-H437 AromaticContact CE1-ND1 3.82Å; F433-H437 AromaticContact CE2-CE1 3.16Å; F433-H437 WeakPolarHBondContact CE2-CE1 3.14Å; F433-H437 AromaticContact CE2-ND1 3.8Å; F433-H437 AromaticContact CE2-NE2 3.9Å; F433-H437 AromaticContact CG-ND1 3.88Å; F433-H437 AromaticContact CZ-CE1 3.33Å; F433-H437 WeakPolarHBondContact CZ-CE1 3.25Å; F433-H437 AromaticContact CZ-ND1 3.79Å; F433-H437 AromaticContact CZ-NE2 3.75Å; F433-H437 WeakPolarHBondContact O-CB 3.01Å; F433-H437 PolarHBondContact O-N 3.49Å; F433-H437 PolarHBondContact O-ND1 2.66Å
434	V	95.1	Very high	95.4	Very high	1 Å²	1	44.1 Å²	44.1	1%	0.006	22%	0.224	C	C	.	.	H	α-helix	trans	-64.3	-44.1	175	177.3	0	0	0	0	111	L343 L345 L360 Y430 V431 R432 V438	L343-V434 HydrophobicContact CD2-CG2 3.56Å; L345-V434 HydrophobicContact CD2-CG1 4.36Å; L345-V434 HydrophobicContact CD2-CG2 4.43Å; L360-V434 HydrophobicContact CD1-CG1 4.47Å; Y430-V434 HydrophobicContact CE1-CG2 4.18Å; Y430-V434 WeakPolarHBondContact O-CG2 3.36Å; Y430-V434 PolarHBondContact O-N 2.96Å; Y430-V434 VanDerWaalsContact O-N 3.14Å; V431-V434 PolarHBondContact O-N 3.19Å; V431-V434 VanDerWaalsContact O-N 3.11Å; R432-V434 VanDerWaalsContact C-N 3.34Å; R432-V434 PolarHBondContact O-N 2.92Å; V434-V438 HydrophobicContact CG1-CG2 4.19Å; V434-V438 WeakPolarHBondContact O-CB 3.31Å; V434-V438 VanDerWaalsContact O-CG2 3.24Å; V434-V438 WeakPolarHBondContact O-CG2 3.26Å; V434-V438 PolarHBondContact O-N 3.36Å
435	E	95.3	Very high	95.5	Very high	49 Å²	49	42.6 Å²	42.6	23%	0.229	21%	0.214	C	C	.	.	H	α-helix	trans	-60.3	-49.6	178.4	-68.6	179.1	130.1	0	0	112.6	V431 R432 H437 V438 G439 V442	V431-E435 WeakPolarHBondContact O-CG 3.31Å; V431-E435 PolarHBondContact O-N 2.54Å; R432-E435 PolarHBondContact O-N 2.86Å; E435-H437 VanDerWaalsContact C-N 3.34Å; E435-H437 PolarHBondContact O-N 3.11Å; E435-V438 PolarHBondContact O-N 3.41Å; E435-G439 WeakPolarHBondContact O-CA 3.05Å; E435-G439 PolarHBondContact O-N 3.23Å; E435-V442 HydrophobicContact CG-CB 4.03Å; E435-V442 HydrophobicContact CG-CG2 3.59Å; E435-V442 PolarHBondContact OE1-N 2.76Å
436	E	95.6	Very high	95.5	Very high	158 Å²	158	36.5 Å²	36.5	74%	0.738	19%	0.186	S	C	*	.	H	α-helix	trans	-61.4	-43.7	-178.1	-178.8	174.8	-171.5	0	0	111.5	R432	R432-E436 WeakPolarHBondContact O-CB 3.42Å; R432-E436 PolarHBondContact O-N 3.46Å
437	H	93.7	Very high	95.3	Very high	49 Å²	49	34.5 Å²	34.5	23%	0.227	18%	0.175	C	C	.	.	H	α-helix	trans	-75.2	-40	-177.5	-75.1	79.5	0	0	0	112.1	L345 K349 F433 E435	L345-H437 HydrophobicContact CD1-CB 3.45Å; L345-H437 VanDerWaalsContact CD1-CB 3.45Å; K349-H437 WeakPolarHBondContact CE-O 3.29Å; K349-H437 PolarHBondContact NZ-O 3.06Å; F433-H437 AromaticContact CD1-ND1 3.86Å; F433-H437 AromaticContact CD2-CE1 3.55Å; F433-H437 AromaticContact CD2-ND1 3.84Å; F433-H437 AromaticContact CE1-CE1 3.85Å; F433-H437 AromaticContact CE1-ND1 3.82Å; F433-H437 AromaticContact CE2-CE1 3.16Å; F433-H437 WeakPolarHBondContact CE2-CE1 3.14Å; F433-H437 AromaticContact CE2-ND1 3.8Å; F433-H437 AromaticContact CE2-NE2 3.9Å; F433-H437 AromaticContact CG-ND1 3.88Å; F433-H437 AromaticContact CZ-CE1 3.33Å; F433-H437 WeakPolarHBondContact CZ-CE1 3.25Å; F433-H437 AromaticContact CZ-ND1 3.79Å; F433-H437 AromaticContact CZ-NE2 3.75Å; F433-H437 WeakPolarHBondContact O-CB 3.01Å; F433-H437 PolarHBondContact O-N 3.49Å; F433-H437 PolarHBondContact O-ND1 2.66Å; E435-H437 VanDerWaalsContact C-N 3.34Å; E435-H437 PolarHBondContact O-N 3.11Å
438	V	93.3	Very high	94.9	Very high	9 Å²	9	35 Å²	35	6%	0.055	18%	0.181	C	C	.	.	H	α-helix	trans	-79.1	-26.8	-179.5	-178.3	0	0	0	0	111.5	L345 I348 H352 L360 V434 E435 V440	L345-V438 HydrophobicContact CD2-CG2 4.21Å; I348-V438 HydrophobicContact CB-CG2 4.27Å; I348-V438 HydrophobicContact CG2-CB 4.48Å; I348-V438 HydrophobicContact CG2-CG1 3.9Å; I348-V438 HydrophobicContact CG2-CG2 3.64Å; H352-V438 HydrophobicContact CB-CG1 4.33Å; L360-V438 HydrophobicContact CD1-CB 4.4Å; L360-V438 HydrophobicContact CD1-CG1 4.13Å; V434-V438 HydrophobicContact CG1-CG2 4.19Å; V434-V438 WeakPolarHBondContact O-CB 3.31Å; V434-V438 VanDerWaalsContact O-CG2 3.24Å; V434-V438 WeakPolarHBondContact O-CG2 3.26Å; V434-V438 PolarHBondContact O-N 3.36Å; E435-V438 PolarHBondContact O-N 3.41Å; V438-V440 VanDerWaalsContact C-N 3.34Å; V438-V440 HydrophobicContact CG1-CB 4.16Å; V438-V440 HydrophobicContact CG1-CG2 3.92Å
439	G	94.7	Very high	94.1	Very high	65 Å²	65	40.6 Å²	40.6	67%	0.67	20%	0.204	S	C	*	.	T	Hydrogen-bonded Turn	trans	78	17.9	-175.5	0	0	0	0	0	113.6	E435	E435-G439 WeakPolarHBondContact O-CA 3.05Å; E435-G439 PolarHBondContact O-N 3.23Å
440	V	95.9	Very high	93.2	Very high	4 Å²	4	38.3 Å²	38.3	2%	0.024	20%	0.201	C	C	.	.	S	Bend	trans	-129.5	130.7	-176.9	-176.6	0	0	0	0	109	H352 F357 L360 V438	H352-V440 WeakPolarHBondContact CE1-CG2 3.08Å; H352-V440 VanDerWaalsContact ND1-CG2 3.29Å; H352-V440 WeakPolarHBondContact ND1-CG2 3.47Å; F357-V440 HydrophobicContact CB-CG1 4.15Å; L360-V440 HydrophobicContact CD1-CB 4.18Å; L360-V440 HydrophobicContact CD1-CG1 4.43Å; L360-V440 HydrophobicContact CD2-CG1 4.14Å; L360-V440 HydrophobicContact CG-CB 4.04Å; L360-V440 HydrophobicContact CG-CG1 3.74Å; V438-V440 VanDerWaalsContact C-N 3.34Å; V438-V440 HydrophobicContact CG1-CB 4.16Å; V438-V440 HydrophobicContact CG1-CG2 3.92Å
441	P	96.8	Very high	92.3	Very high	55 Å²	55	41.9 Å²	41.9	36%	0.357	22%	0.215	S	C	.	.			trans	-69.6	143.2	-179.9	29.9	-35.7	0	0	0	111.3	A359 L360 F458	A359-P441 CarbonylContact C-O 3.51Å; A359-P441 VanDerWaalsContact CA-O 3.23Å; A359-P441 WeakPolarHBondContact CA-O 3.49Å; L360-P441 PolarHBondContact N-O 3.18Å; P441-F458 HydrophobicContact CB-CE1 4.04Å; P441-F458 HydrophobicContact CB-CZ 3.85Å; P441-F458 HydrophobicContact CG-CZ 4.03Å
442	V	96.9	Very high	91.7	Very high	0 Å²	0	48.8 Å²	48.8	0%	0	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.6	124.7	170.3	175.7	0	0	0	0	107.1	L360 L362 V431 E435 W444 I445 L457 F458	L360-V442 HydrophobicContact CB-CG2 4.1Å; L360-V442 CarbonylContact O-C 3.51Å; L360-V442 WeakPolarHBondContact O-CA 3.38Å; L362-V442 HydrophobicContact CB-CG1 4.01Å; V431-V442 HydrophobicContact CG1-CB 4.07Å; V431-V442 HydrophobicContact CG1-CG1 4.25Å; V431-V442 HydrophobicContact CG1-CG2 4.16Å; E435-V442 HydrophobicContact CG-CB 4.03Å; E435-V442 HydrophobicContact CG-CG2 3.59Å; E435-V442 PolarHBondContact OE1-N 2.76Å; V442-W444 WeakPolarHBondContact CG1-O 3.46Å; V442-I445 HydrophobicContact CG1-CG1 3.92Å; V442-L457 HydrophobicContact CB-CD1 4.19Å; V442-L457 HydrophobicContact CG1-CD1 4Å; V442-L457 WeakPolarHBondContact O-CD1 3.27Å; V442-F458 VanDerWaalsContact O-CE1 3.25Å; V442-F458 WeakPolarHBondContact O-CE1 3.04Å
443	R	95.8	Very high	91.2	Very high	39 Å²	39	42.9 Å²	42.9	15%	0.147	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.4	-34.4	176.5	-176.5	170.4	-170.3	153.6	17.8	112.3	E294 Y296 A359 L360 L457 F458	E294-R443 IonicContact OE1-NH1 2.73Å; Y296-R443 PolarHBondContact OH-NH1 3.04Å; A359-R443 HydrophobicContact CB-CB 3.82Å; L360-R443 PolarHBondContact O-N 3.12Å; R443-L457 PolarHBondContact O-N 2.86Å; R443-F458 HydrophobicContact CB-CE1 4.3Å; R443-F458 HydrophobicContact CB-CE2 4.17Å; R443-F458 HydrophobicContact CB-CZ 3.88Å; R443-F458 HydrophobicContact CG-CD2 4.33Å; R443-F458 HydrophobicContact CG-CE2 4.09Å; R443-F458 HydrophobicContact CG-CZ 4.24Å; R443-F458 VanDerWaalsContact CZ-O 3.25Å; R443-F458 PolarHBondContact NE-O 3.38Å; R443-F458 PolarHBondContact NH2-O 3.41Å; R443-F458 PolarHBondContact NH2-OXT 3.38Å
444	W	96.1	Very high	90.9	Very high	5 Å²	5	43 Å²	43	2%	0.019	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.8	138.6	-178.4	-61.6	-77.3	0	0	0	112.4	V47 L51 Y296 L360 A361 L362 V442 M454 I455	V47-W444 HydrophobicContact CG1-CE3 4.34Å; V47-W444 HydrophobicContact CG1-CZ3 4.27Å; L51-W444 HydrophobicContact CD1-CH2 4.24Å; L51-W444 HydrophobicContact CD2-CH2 3.87Å; L51-W444 HydrophobicContact CD2-CZ2 3.89Å; L51-W444 HydrophobicContact CG-CH2 4.4Å; Y296-W444 HydrophobicContact CD1-CH2 4.09Å; Y296-W444 AromaticContact CD1-CZ3 3.52Å; Y296-W444 HydrophobicContact CD1-CZ3 3.52Å; Y296-W444 AromaticContact CD2-CH2 3.99Å; Y296-W444 HydrophobicContact CD2-CH2 3.99Å; Y296-W444 AromaticContact CD2-CZ3 3.91Å; Y296-W444 HydrophobicContact CD2-CZ3 3.91Å; Y296-W444 AromaticContact CE1-CH2 3.74Å; Y296-W444 HydrophobicContact CE1-CH2 3.74Å; Y296-W444 AromaticContact CE1-CZ3 3.6Å; Y296-W444 HydrophobicContact CE1-CZ3 3.6Å; Y296-W444 AromaticContact CE2-CH2 3.64Å; Y296-W444 HydrophobicContact CE2-CH2 3.64Å; Y296-W444 AromaticContact CE2-CZ3 4Å; Y296-W444 HydrophobicContact CE2-CZ3 4Å; Y296-W444 HydrophobicContact CG-CH2 4.19Å; Y296-W444 AromaticContact CG-CZ3 3.66Å; Y296-W444 HydrophobicContact CG-CZ3 3.66Å; Y296-W444 AromaticContact CZ-CH2 3.5Å; Y296-W444 VanDerWaalsContact CZ-CH2 3.5Å; Y296-W444 AromaticContact CZ-CZ3 3.84Å; L360-W444 PolarHBondContact O-N 2.92Å; A361-W444 CarbonylContact C-O 3.39Å; A361-W444 WeakPolarHBondContact CA-O 3.31Å; A361-W444 HydrophobicContact CB-CB 4.19Å; A361-W444 HydrophobicContact CB-CE3 4.1Å; L362-W444 PolarHBondContact N-O 2.94Å; V442-W444 WeakPolarHBondContact CG1-O 3.46Å; W444-M454 HydrophobicContact CB-CE 3.48Å; W444-M454 VanDerWaalsContact CB-CE 3.48Å; W444-M454 HydrophobicContact CB-CG 4.1Å; W444-M454 HydrophobicContact CG-CG 4.46Å; W444-I455 CarbonylContact C-O 3.54Å; W444-I455 VanDerWaalsContact CA-O 3.24Å; W444-I455 WeakPolarHBondContact CA-O 3.31Å
445	I	95.9	Very high	90.8	Very high	0 Å²	0	43.1 Å²	43.1	0%	0	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.5	122.7	174.1	-56.1	164.1	0	0	0	109.7	L362 L365 F420 L423 V431 V442 V447 M454 I455 L457	L362-I445 CarbonylContact O-C 3.58Å; L362-I445 VanDerWaalsContact O-CA 3.29Å; L362-I445 WeakPolarHBondContact O-CA 3.38Å; L365-I445 HydrophobicContact CB-CG2 4.13Å; L365-I445 HydrophobicContact CD2-CG2 3.51Å; L365-I445 HydrophobicContact CG-CG2 4.46Å; F420-I445 HydrophobicContact CD2-CD1 3.71Å; F420-I445 HydrophobicContact CE2-CD1 3.99Å; L423-I445 HydrophobicContact CD1-CD1 3.82Å; L423-I445 HydrophobicContact CD1-CG2 4.46Å; V431-I445 HydrophobicContact CG1-CD1 4.12Å; V431-I445 HydrophobicContact CG2-CD1 3.82Å; V431-I445 HydrophobicContact CG2-CG1 4.29Å; V442-I445 HydrophobicContact CG1-CG1 3.92Å; I445-V447 HydrophobicContact CG2-CG1 4.22Å; I445-M454 CarbonylContact O-C 3.49Å; I445-M454 WeakPolarHBondContact O-CA 3.3Å; I445-I455 HydrophobicContact CB-CB 4.28Å; I445-I455 PolarHBondContact N-O 2.92Å; I445-I455 PolarHBondContact O-N 2.92Å; I445-L457 HydrophobicContact CD1-CD1 3.85Å; I445-L457 HydrophobicContact CD1-CD2 4.26Å; I445-L457 HydrophobicContact CD1-CG 4.31Å; I445-L457 HydrophobicContact CG1-CD1 4.1Å
446	G	93.9	Very high	90.7	Very high	1 Å²	1	46 Å²	46	1%	0.01	24%	0.241	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99	114.9	-178.3	0	0	0	0	0	110.9	L362 K364 L365 M454	L362-G446 PolarHBondContact O-N 3.34Å; K364-G446 PolarHBondContact N-O 3.07Å; L365-G446 PolarHBondContact N-O 2.87Å; G446-M454 VanDerWaalsContact CA-CE 3.47Å; G446-M454 WeakPolarHBondContact CA-SD 3.4Å
447	V	92.3	Very high	90.4	Very high	0 Å²	0	40.9 Å²	40.9	0%	0	22%	0.219	C	C	.	.			trans	-111.4	13.3	179.7	-62.5	0	0	0	0	112.9	L365 D366 T414 S415 L423 I445 S453 I455	L365-V447 HydrophobicContact CB-CG1 4.47Å; D366-V447 HydrophobicContact CB-CB 4.5Å; D366-V447 VanDerWaalsContact CB-O 3.31Å; D366-V447 WeakPolarHBondContact CB-O 3.45Å; D366-V447 VanDerWaalsContact OD1-C 3.32Å; T414-V447 WeakPolarHBondContact O-CB 3.26Å; T414-V447 WeakPolarHBondContact O-CG2 3.43Å; S415-V447 VanDerWaalsContact CA-O 3.28Å; S415-V447 WeakPolarHBondContact CA-O 3.39Å; L423-V447 HydrophobicContact CD2-CG1 4.11Å; I445-V447 HydrophobicContact CG2-CG1 4.22Å; V447-S453 WeakPolarHBondContact CG2-O 3.39Å; V447-S453 PolarHBondContact N-O 2.93Å; V447-I455 HydrophobicContact CG1-CD1 4.04Å; V447-I455 HydrophobicContact CG2-CD1 4.25Å; V447-I455 HydrophobicContact CG2-CG1 4.44Å
448	G	86	Confident	90.2	Very high	12 Å²	12	44.7 Å²	44.7	12%	0.124	24%	0.235	C	C	.	.	S	Bend	trans	178.9	-173.5	-179.5	0	0	0	0	0	113.8	K46 S453	K46-G448 PolarHBondContact NZ-O 2.93Å; G448-S453 VanDerWaalsContact CA-CB 3.49Å
449	K	78	Confident	90	Very high	149 Å²	149	46.5 Å²	46.5	65%	0.648	24%	0.244	S	C	*	.	S	Bend	trans	-82.5	-34	-176.5	-71.8	-169.8	173.9	-162.3	0	114.5	K46	K46-K449 WeakPolarHBondContact CE-O 3.27Å
450	S	78.1	Confident	89.8	Confident	52 Å²	52	45.5 Å²	45.5	36%	0.364	22%	0.221	S	C	.	.	S	Bend	trans	-71.7	159.2	-175.3	80.7	0	0	0	0	111.4	E452 S453	S450-E452 PolarHBondContact O-N 3.5Å; S450-E452 PolarHBondContact OG-N 2.92Å; S450-S453 WeakPolarHBondContact O-CB 3.31Å; S450-S453 PolarHBondContact O-N 3.36Å; S450-S453 VanDerWaalsContact O-N 3.14Å; S450-S453 PolarHBondContact OG-N 2.85Å; S450-S453 VanDerWaalsContact OG-N 3.14Å; S450-S453 PolarHBondContact OG-OG 3.33Å
451	R	77.6	Confident	89.5	Confident	78 Å²	78	47.8 Å²	47.8	29%	0.294	23%	0.232	S	C	.	.	G	3₁₀ helix	trans	-60.8	-37.1	173.1	-169.9	-176.7	-66.4	160.3	-0.1	111.6	D49 L50 Q53 S453 M454	D49-R451 IonicContact OD1-CZ 3.45Å; D49-R451 IonicContact OD1-NE 3.69Å; D49-R451 IonicContact OD1-NH2 3.84Å; D49-R451 PolarHBondContact OD1-NH2 3.26Å; D49-R451 IonicContact OD2-CZ 3.72Å; D49-R451 IonicContact OD2-NE 3.16Å; D49-R451 PolarHBondContact OD2-NE 3.05Å; D49-R451 IonicContact OD2-NH2 2.92Å; D49-R451 PolarHBondContact OD2-NH2 2.91Å; L50-R451 HydrophobicContact CD1-CG 4.22Å; Q53-R451 VanDerWaalsContact CD-NH1 3.25Å; R451-S453 PolarHBondContact O-N 3.25Å; R451-M454 WeakPolarHBondContact O-CB 3.35Å; R451-M454 PolarHBondContact O-N 3.01Å
452	E	82.4	Confident	89	Confident	145 Å²	145	47.4 Å²	47.4	68%	0.678	23%	0.225	S	C	*	.	G	3₁₀ helix	trans	-67.5	-19.2	177.1	-60.3	179.6	-179.5	0	0	113.2	R418 S450 M454	R418-E452 WeakPolarHBondContact CD-O 3.45Å; R418-E452 PolarHBondContact NE-O 3Å; S450-E452 PolarHBondContact O-N 3.5Å; S450-E452 PolarHBondContact OG-N 2.92Å; E452-M454 PolarHBondContact O-N 2.76Å
453	S	86.3	Confident	88.5	Confident	9 Å²	9	50.4 Å²	50.4	6%	0.063	24%	0.239	C	C	.	.	G	3₁₀ helix	trans	-80.2	16.5	175.9	-52.2	0	0	0	0	112.9	V447 G448 S450 R451	V447-S453 WeakPolarHBondContact CG2-O 3.39Å; V447-S453 PolarHBondContact N-O 2.93Å; G448-S453 VanDerWaalsContact CA-CB 3.49Å; S450-S453 WeakPolarHBondContact O-CB 3.31Å; S450-S453 PolarHBondContact O-N 3.36Å; S450-S453 VanDerWaalsContact O-N 3.14Å; S450-S453 PolarHBondContact OG-N 2.85Å; S450-S453 VanDerWaalsContact OG-N 3.14Å; S450-S453 PolarHBondContact OG-OG 3.33Å; R451-S453 PolarHBondContact O-N 3.25Å
454	M	89.4	Confident	88	Confident	23 Å²	23	51.1 Å²	51.1	11%	0.113	25%	0.245	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.3	99.5	176.2	-151.4	74.4	-147.2	0	0	109.2	L50 T363 W444 I445 G446 R451 E452	L50-M454 HydrophobicContact CD2-CG 4.46Å; T363-M454 HydrophobicContact CG2-CE 4.3Å; W444-M454 HydrophobicContact CB-CE 3.48Å; W444-M454 VanDerWaalsContact CB-CE 3.48Å; W444-M454 HydrophobicContact CB-CG 4.1Å; W444-M454 HydrophobicContact CG-CG 4.46Å; I445-M454 CarbonylContact O-C 3.49Å; I445-M454 WeakPolarHBondContact O-CA 3.3Å; G446-M454 VanDerWaalsContact CA-CE 3.47Å; G446-M454 WeakPolarHBondContact CA-SD 3.4Å; R451-M454 WeakPolarHBondContact O-CB 3.35Å; R451-M454 PolarHBondContact O-N 3.01Å; E452-M454 PolarHBondContact O-N 2.76Å
455	I	91.9	Very high	87.5	Confident	3 Å²	3	54.4 Å²	54.4	2%	0.015	26%	0.261	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.7	126.4	178.6	-56.4	171	0	0	0	108.1	A417 L423 W444 I445 V447	A417-I455 HydrophobicContact CB-CD1 3.89Å; L423-I455 HydrophobicContact CD1-CD1 4.18Å; L423-I455 HydrophobicContact CD2-CD1 3.97Å; L423-I455 HydrophobicContact CG-CD1 4.11Å; W444-I455 CarbonylContact C-O 3.54Å; W444-I455 VanDerWaalsContact CA-O 3.24Å; W444-I455 WeakPolarHBondContact CA-O 3.31Å; I445-I455 HydrophobicContact CB-CB 4.28Å; I445-I455 PolarHBondContact N-O 2.92Å; I445-I455 PolarHBondContact O-N 2.92Å; V447-I455 HydrophobicContact CG1-CD1 4.04Å; V447-I455 HydrophobicContact CG2-CD1 4.25Å; V447-I455 HydrophobicContact CG2-CG1 4.44Å
456	Q	93.2	Very high	86.8	Confident	109 Å²	109	58.6 Å²	58.6	51%	0.509	28%	0.281	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.1	131.3	174.5	-177.6	176.3	-10.9	0	0	110.1	F458	Q456-F458 WeakPolarHBondContact CG-O 3.23Å; Q456-F458 PolarHBondContact NE2-O 3.01Å
457	L	90.3	Very high	86.2	Confident	52 Å²	52	63.4 Å²	63.4	27%	0.272	30%	0.304	S	S	.	.			trans	-91.9	-36.3	-177.8	-68.2	165.2	0	0	0	113	F420 V442 R443 I445	F420-L457 HydrophobicContact CB-CD2 3.45Å; F420-L457 VanDerWaalsContact CB-CD2 3.45Å; F420-L457 HydrophobicContact CD1-CD2 4.4Å; F420-L457 HydrophobicContact CD2-CD2 3.39Å; F420-L457 HydrophobicContact CE2-CD2 4.2Å; F420-L457 HydrophobicContact CG-CD2 3.49Å; F420-L457 VanDerWaalsContact CG-CD2 3.49Å; V442-L457 HydrophobicContact CB-CD1 4.19Å; V442-L457 HydrophobicContact CG1-CD1 4Å; V442-L457 WeakPolarHBondContact O-CD1 3.27Å; R443-L457 PolarHBondContact O-N 2.86Å; I445-L457 HydrophobicContact CD1-CD1 3.85Å; I445-L457 HydrophobicContact CD1-CD2 4.26Å; I445-L457 HydrophobicContact CD1-CG 4.31Å; I445-L457 HydrophobicContact CG1-CD1 4.1Å
458	F	89.2	Confident	85.7	Confident	129 Å²	129	69.2 Å²	69.2	57%	0.566	33%	0.331	S	S	*	.			trans	-158.2	0	179	56.9	-93.1	0	0	0	113.2	A359 P441 V442 R443 Q456	A359-F458 HydrophobicContact CB-CZ 4.47Å; P441-F458 HydrophobicContact CB-CE1 4.04Å; P441-F458 HydrophobicContact CB-CZ 3.85Å; P441-F458 HydrophobicContact CG-CZ 4.03Å; V442-F458 VanDerWaalsContact O-CE1 3.25Å; V442-F458 WeakPolarHBondContact O-CE1 3.04Å; R443-F458 HydrophobicContact CB-CE1 4.3Å; R443-F458 HydrophobicContact CB-CE2 4.17Å; R443-F458 HydrophobicContact CB-CZ 3.88Å; R443-F458 HydrophobicContact CG-CD2 4.33Å; R443-F458 HydrophobicContact CG-CE2 4.09Å; R443-F458 HydrophobicContact CG-CZ 4.24Å; R443-F458 VanDerWaalsContact CZ-O 3.25Å; R443-F458 PolarHBondContact NE-O 3.38Å; R443-F458 PolarHBondContact NH2-O 3.41Å; R443-F458 PolarHBondContact NH2-OXT 3.38Å; Q456-F458 WeakPolarHBondContact CG-O 3.23Å; Q456-F458 PolarHBondContact NE2-O 3.01Å

Retrieved 458 of 458 residues in 888.1 ms (Link to these results)

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