A0A087XMU0_POEFO Loading...

Acetyl-coenzyme A synthetase

AlphaFold DB , UniProt , Accession A0A087XMU0, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 680 aa.

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(Predicted Aligned Error values between residue pairs)

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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	32.3	Very low	28.4	Very low	236 Å²	236	168 Å²	168	100%	1.163	83%	0.831	S	S	*	*				0	98.7	0	-163.7	172.9	-93.2	0	0	106.8
2	W	27.7	Very low	28.1	Very low	241 Å²	241	165.5 Å²	165.5	91%	0.913	83%	0.831	S	S	*	*			trans	48.9	98.8	161.4	-69.8	74.1	0	0	0	121.8
3	L	27.5	Very low	28.1	Very low	155 Å²	155	160.1 Å²	160.1	81%	0.812	83%	0.828	S	S	*	*				-43.2	174.3	128.4	-77.7	152.3	0	0	0	112.2
4	P	44.9	Very low	28	Very low	102 Å²	102	155.5 Å²	155.5	66%	0.662	83%	0.825	S	S	*	*			cis	-146.4	179.4	30.1	33.3	-5.9	0	0	0	113.8
5	C	25.1	Very low	27.9	Very low	126 Å²	126	152.8 Å²	152.8	85%	0.851	82%	0.824	S	S	*	*				-170.2	148.2	67.5	-124.1	0	0	0	0	114
6	R	26.3	Very low	27.9	Very low	235 Å²	235	152.9 Å²	152.9	89%	0.887	82%	0.822	S	S	*	*			trans	-92.9	162.4	-174.7	-68.5	172.7	166.3	-163.7	-2.9	112.1
7	C	25.4	Very low	28	Very low	106 Å²	106	158.1 Å²	158.1	72%	0.716	83%	0.827	S	S	*	*				145.2	104.8	125.9	-81.2	0	0	0	0	110.6
8	T	25.7	Very low	28.1	Very low	120 Å²	120	162.4 Å²	162.4	74%	0.736	83%	0.831	S	S	*	*				60.9	130.7	93.6	60.7	0	0	0	0	112.7
9	T	25.3	Very low	28.5	Very low	114 Å²	114	158.3 Å²	158.3	70%	0.699	83%	0.832	S	S	*	*			cis	-175.5	161.2	31.4	-15.4	0	0	0	0	110.8
10	K	25.4	Very low	28.5	Very low	190 Å²	190	157 Å²	157	83%	0.826	83%	0.831	S	S	*	*			trans	83.6	113.3	142.4	-79.1	172.7	-174.2	-174.1	0	122.4
11	Y	26.3	Very low	28.5	Very low	223 Å²	223	153.4 Å²	153.4	88%	0.875	82%	0.819	S	S	*	*			trans	-24.8	138.9	146.1	-76.6	-96	0	0	0	117.4
12	V	25.4	Very low	28.4	Very low	138 Å²	138	147.7 Å²	147.7	84%	0.836	81%	0.809	S	S	*	*				-149.3	125.5	128.3	176.6	0	0	0	0	109
13	A	28.1	Very low	28.6	Very low	95 Å²	95	140.8 Å²	140.8	79%	0.785	80%	0.797	S	S	*	*			trans	-83.8	132.9	162.9	0	0	0	0	0	109.4
14	A	26	Very low	28.7	Very low	96 Å²	96	138 Å²	138	79%	0.793	79%	0.791	S	S	*	*			trans	-152.2	118.7	160.6	0	0	0	0	0	110.1
15	S	27.6	Very low	27.9	Very low	115 Å²	115	141.2 Å²	141.2	80%	0.804	80%	0.801	S	S	*	*			trans	-71.2	136.4	173.4	62.6	0	0	0	0	111.4
16	I	27.2	Very low	28.1	Very low	155 Å²	155	144.6 Å²	144.6	80%	0.795	80%	0.804	S	S	*	*			trans	-140.2	114.4	148.8	-62.2	-175.4	0	0	0	108.6
17	R	30.3	Very low	28.4	Very low	241 Å²	241	137.8 Å²	137.8	91%	0.909	80%	0.798	S	S	*	*			trans	-62.2	135.2	164	-74	175.3	172	-178.8	-3.2	109.4
18	R	29.4	Very low	28.7	Very low	236 Å²	236	140.7 Å²	140.7	89%	0.891	81%	0.806	S	S	*	*			trans	-158.6	124.1	145.2	-103.8	168.6	-158.9	-154.4	4	108.8
19	G	35.6	Very low	29.2	Very low	83 Å²	83	146.5 Å²	146.5	86%	0.856	81%	0.814	S	S	*	*			trans	-65.3	147.9	-175.4	0	0	0	0	0	112.7
20	V	28.8	Very low	29.7	Very low	133 Å²	133	150.2 Å²	150.2	81%	0.806	82%	0.816	S	S	*	*			trans	-127.2	127.4	165.7	179.7	0	0	0	0	106.5
21	S	28.2	Very low	30	Very low	82 Å²	82	145.1 Å²	145.1	57%	0.573	82%	0.817	S	S	*	*			trans	-63	144.1	-173.6	57.1	0	0	0	0	112.6	S23	S21-S23 PolarHBondContact O-N 3.12Å; S21-S23 PolarHBondContact OG-OG 3.08Å
22	A	29.7	Very low	30.8	Very low	116 Å²	116	146 Å²	146	96%	0.959	82%	0.818	S	S	*	*	S	Bend	trans	-73.6	57.4	173.7	0	0	0	0	0	112.3
23	S	32.4	Very low	31.8	Very low	95 Å²	95	144.2 Å²	144.2	66%	0.664	81%	0.813	S	S	*	*			trans	-132.4	14	-175.5	57.7	0	0	0	0	115.3	S21	S21-S23 PolarHBondContact O-N 3.12Å; S21-S23 PolarHBondContact OG-OG 3.08Å
24	S	28.7	Very low	33.3	Very low	97 Å²	97	144.9 Å²	144.9	68%	0.678	81%	0.811	S	S	*	*	S	Bend	trans	-136.1	14.9	-178	47.8	0	0	0	0	115.6
25	L	28.3	Very low	35.3	Very low	169 Å²	169	142.4 Å²	142.4	89%	0.885	78%	0.781	S	S	*	*	S	Bend	trans	-108.7	19.7	176	-87.1	158.2	0	0	0	114.2
26	H	30.3	Very low	37.6	Very low	197 Å²	197	141.6 Å²	141.6	91%	0.912	77%	0.768	S	S	*	*	S	Bend	trans	-116.9	12.8	-179.8	-96.7	35.4	0	0	0	115.5
27	A	31.4	Very low	40	Very low	92 Å²	92	134.9 Å²	134.9	76%	0.76	74%	0.735	S	S	*	*	S	Bend	trans	-106.9	0.5	-174.5	0	0	0	0	0	115.8
28	L	32	Very low	42.3	Very low	168 Å²	168	125 Å²	125	88%	0.88	71%	0.705	S	S	*	*	S	Bend	trans	-141.3	70.1	-172.6	-85.7	154.9	0	0	0	112.3
29	R	37.1	Very low	44.7	Very low	242 Å²	242	117.4 Å²	117.4	91%	0.913	69%	0.692	S	S	*	*			trans	-176	109.4	149.4	-107.3	171.7	-179.3	-162.6	-0.2	110.2
30	R	35.9	Very low	47.1	Very low	192 Å²	192	116.5 Å²	116.5	73%	0.725	67%	0.665	S	S	*	*			trans	153.8	98.5	143.1	-84.9	174.7	-167.2	-142.4	12.1	107.7	R32 D456	R30-R32 PolarHBondContact O-N 3.33Å; R30-D456 IonicContact NH1-OD2 2.9Å; R30-D456 PolarHBondContact NH1-OD2 2.86Å
31	G	31.2	Very low	49.9	Very low	83 Å²	83	110.2 Å²	110.2	86%	0.856	63%	0.627	S	S	*	*			trans	-60.1	107.7	153.2	0	0	0	0	0	106.3	S33	G31-S33 PolarHBondContact O-N 3.38Å; G31-S33 VanDerWaalsContact O-N 3.12Å
32	R	42.6	Very low	52.8	Low	240 Å²	240	109.5 Å²	109.5	91%	0.906	62%	0.62	S	S	*	*			trans	-58.7	115	171.1	-73.9	178.2	175.2	-176.2	-3.3	106.2	R30 S34	R30-R32 PolarHBondContact O-N 3.33Å; R32-S34 PolarHBondContact O-N 3.26Å; R32-S34 VanDerWaalsContact O-N 3.08Å
33	S	48.1	Very low	55.5	Low	102 Å²	102	104.4 Å²	104.4	71%	0.713	58%	0.577	S	S	*	*			trans	-58	118.4	164.1	64.9	0	0	0	0	106.2	G31 W35	G31-S33 PolarHBondContact O-N 3.38Å; G31-S33 VanDerWaalsContact O-N 3.12Å; S33-W35 PolarHBondContact O-N 2.97Å
34	S	58.4	Low	58.1	Low	109 Å²	109	100.1 Å²	100.1	76%	0.762	55%	0.546	S	S	*	.			trans	-60	121.7	176.9	46.4	0	0	0	0	108.5	R32 N36	R32-S34 PolarHBondContact O-N 3.26Å; R32-S34 VanDerWaalsContact O-N 3.08Å; S34-N36 PolarHBondContact O-N 3.48Å
35	W	67.3	Low	60.6	Low	43 Å²	43	98.8 Å²	98.8	16%	0.163	54%	0.541	C	S	.	.			trans	-63.3	110.9	172.2	-174.7	-13	0	0	0	108.3	S33 S37 F40 R53 S453 E454	S33-W35 PolarHBondContact O-N 2.97Å; W35-S37 PolarHBondContact O-N 2.77Å; W35-F40 AromaticContact CE2-CG 3.91Å; W35-F40 AromaticContact CZ2-CD1 3.78Å; W35-F40 HydrophobicContact CZ2-CD1 3.78Å; W35-F40 AromaticContact CZ2-CD2 3.9Å; W35-F40 HydrophobicContact CZ2-CD2 3.9Å; W35-F40 AromaticContact CZ2-CE1 3.96Å; W35-F40 HydrophobicContact CZ2-CE1 3.96Å; W35-F40 HydrophobicContact CZ2-CE2 4.07Å; W35-F40 AromaticContact CZ2-CG 3.77Å; W35-F40 HydrophobicContact CZ2-CG 3.77Å; W35-F40 HydrophobicContact CZ2-CZ 4.12Å; W35-F40 AromaticContact NE1-CD1 3.93Å; W35-F40 AromaticContact NE1-CD2 3.97Å; W35-F40 AromaticContact NE1-CG 3.41Å; W35-R53 HydrophobicContact CD2-CB 4.32Å; W35-R53 HydrophobicContact CE3-CB 3.57Å; W35-R53 HydrophobicContact CH2-CB 3.17Å; W35-R53 HydrophobicContact CH2-CG 3.63Å; W35-R53 HydrophobicContact CZ2-CB 3.88Å; W35-R53 HydrophobicContact CZ2-CG 4.46Å; W35-R53 HydrophobicContact CZ3-CB 2.96Å; W35-R53 HydrophobicContact CZ3-CG 3.79Å; W35-S453 VanDerWaalsContact CH2-CA 3.41Å; W35-S453 WeakPolarHBondContact CH2-O 3.29Å; W35-E454 HydrophobicContact CD2-CG 4.27Å; W35-E454 HydrophobicContact CE3-CB 4.02Å; W35-E454 HydrophobicContact CE3-CG 3.26Å; W35-E454 VanDerWaalsContact CH2-N 3.34Å; W35-E454 VanDerWaalsContact CZ3-CA 3.43Å; W35-E454 HydrophobicContact CZ3-CB 4.01Å; W35-E454 HydrophobicContact CZ3-CG 3.6Å; W35-E454 WeakPolarHBondContact CZ3-OE1 3.38Å; W35-E454 WeakPolarHBondContact CZ3-OE2 3.41Å
36	N	77.8	Confident	63.1	Low	98 Å²	98	94 Å²	94	52%	0.524	53%	0.533	S	S	.	.			trans	-80.8	101.8	169.1	-176.1	-18.7	0	0	0	109.6	S34 A38 A39 F40	S34-N36 PolarHBondContact O-N 3.48Å; N36-A38 VanDerWaalsContact C-N 3.31Å; N36-A38 PolarHBondContact O-N 3.17Å; N36-A38 PolarHBondContact OD1-N 3.31Å; N36-A38 VanDerWaalsContact OD1-N 3.17Å; N36-A39 HydrophobicContact CB-CB 3.83Å; N36-A39 PolarHBondContact O-N 3.29Å; N36-A39 PolarHBondContact OD1-N 2.99Å; N36-A39 VanDerWaalsContact OD1-N 3.1Å; N36-F40 PolarHBondContact O-N 2.77Å; N36-F40 VanDerWaalsContact O-N 3.09Å
37	S	77.1	Confident	65.9	Low	15 Å²	15	85.7 Å²	85.7	11%	0.105	49%	0.494	C	S	.	.	H	α-helix	trans	-57.1	-42.4	-179.4	48.5	0	0	0	0	112	W35 A39 F40 M41 S44 V50	W35-S37 PolarHBondContact O-N 2.77Å; S37-A39 PolarHBondContact O-N 2.92Å; S37-F40 PolarHBondContact O-N 2.92Å; S37-M41 PolarHBondContact O-N 2.93Å; S37-S44 VanDerWaalsContact C-OG 3.29Å; S37-S44 PolarHBondContact O-OG 3.38Å; S37-V50 PolarHBondContact OG-O 2.87Å; S37-V50 VanDerWaalsContact OG-O 3.13Å
38	A	78.6	Confident	68.4	Low	34 Å²	34	89.7 Å²	89.7	28%	0.281	50%	0.497	S	S	.	.	H	α-helix	trans	-70	-30.3	179	0	0	0	0	0	113.4	N36 F40 M41 P42 S44 A45	N36-A38 VanDerWaalsContact C-N 3.31Å; N36-A38 PolarHBondContact O-N 3.17Å; N36-A38 PolarHBondContact OD1-N 3.31Å; N36-A38 VanDerWaalsContact OD1-N 3.17Å; A38-F40 VanDerWaalsContact C-N 3.35Å; A38-M41 CarbonylContact O-C 3.57Å; A38-P42 VanDerWaalsContact O-CA 3.24Å; A38-P42 WeakPolarHBondContact O-CA 3.48Å; A38-S44 PolarHBondContact N-OG 2.85Å; A38-A45 HydrophobicContact CB-CB 4.35Å
39	A	80.1	Confident	70.8	Confident	75 Å²	75	85.3 Å²	85.3	62%	0.62	49%	0.493	S	S	*	.	H	α-helix	trans	-71.2	-34.2	172.3	0	0	0	0	0	111.7	N36 S37	N36-A39 HydrophobicContact CB-CB 3.83Å; N36-A39 PolarHBondContact O-N 3.29Å; N36-A39 PolarHBondContact OD1-N 2.99Å; N36-A39 VanDerWaalsContact OD1-N 3.1Å; S37-A39 PolarHBondContact O-N 2.92Å
40	F	84.8	Confident	73.1	Confident	65 Å²	65	74.6 Å²	74.6	29%	0.285	45%	0.454	S	S	.	.	H	α-helix	trans	-76.6	-49.5	178.5	175.7	-97.7	0	0	0	112.3	W35 N36 S37 A38 Y316 P452 F469	W35-F40 AromaticContact CE2-CG 3.91Å; W35-F40 AromaticContact CZ2-CD1 3.78Å; W35-F40 HydrophobicContact CZ2-CD1 3.78Å; W35-F40 AromaticContact CZ2-CD2 3.9Å; W35-F40 HydrophobicContact CZ2-CD2 3.9Å; W35-F40 AromaticContact CZ2-CE1 3.96Å; W35-F40 HydrophobicContact CZ2-CE1 3.96Å; W35-F40 HydrophobicContact CZ2-CE2 4.07Å; W35-F40 AromaticContact CZ2-CG 3.77Å; W35-F40 HydrophobicContact CZ2-CG 3.77Å; W35-F40 HydrophobicContact CZ2-CZ 4.12Å; W35-F40 AromaticContact NE1-CD1 3.93Å; W35-F40 AromaticContact NE1-CD2 3.97Å; W35-F40 AromaticContact NE1-CG 3.41Å; N36-F40 PolarHBondContact O-N 2.77Å; N36-F40 VanDerWaalsContact O-N 3.09Å; S37-F40 PolarHBondContact O-N 2.92Å; A38-F40 VanDerWaalsContact C-N 3.35Å; F40-Y316 HydrophobicContact CD1-CD1 4.35Å; F40-Y316 HydrophobicContact CD1-CE1 4.41Å; F40-Y316 AromaticContact CE1-CD1 3.55Å; F40-Y316 HydrophobicContact CE1-CD1 3.55Å; F40-Y316 HydrophobicContact CE1-CE1 4.03Å; F40-Y316 HydrophobicContact CE1-CG 4.3Å; F40-Y316 HydrophobicContact CE2-CD1 4.34Å; F40-Y316 AromaticContact CZ-CD1 3.52Å; F40-Y316 HydrophobicContact CZ-CD1 3.52Å; F40-Y316 HydrophobicContact CZ-CE1 4.29Å; F40-Y316 HydrophobicContact CZ-CG 4.31Å; F40-Y316 WeakPolarHBondContact O-CE1 3.5Å; F40-P452 HydrophobicContact CE1-CB 3.84Å; F40-P452 HydrophobicContact CE2-CB 4.43Å; F40-P452 HydrophobicContact CZ-CB 3.4Å; F40-P452 HydrophobicContact CZ-CG 4.46Å; F40-F469 HydrophobicContact CE1-CZ 4.45Å
41	M	89.1	Confident	75.4	Confident	1 Å²	1	70.2 Å²	70.2	1%	0.005	45%	0.453	C	S	.	.			trans	-125.8	90.4	179.9	179.5	163.2	-175.7	0	0	108.1	S37 A38 E43 S44 L56 F67 V71 L312 Y316 F469	S37-M41 PolarHBondContact O-N 2.93Å; A38-M41 CarbonylContact O-C 3.57Å; M41-E43 HydrophobicContact CE-CB 3.93Å; M41-E43 HydrophobicContact CE-CG 4.43Å; M41-E43 HydrophobicContact CG-CB 4.11Å; M41-E43 VanDerWaalsContact CG-OE2 3.31Å; M41-E43 WeakPolarHBondContact CG-OE2 3.46Å; M41-E43 PolarHBondContact O-N 2.78Å; M41-S44 WeakPolarHBondContact O-CB 3.48Å; M41-S44 PolarHBondContact O-N 3.35Å; M41-S44 PolarHBondContact O-OG 2.87Å; M41-L56 HydrophobicContact CB-CD2 4.31Å; M41-L56 HydrophobicContact SD-CD2 3.95Å; M41-F67 HydrophobicContact CE-CE2 3.85Å; M41-F67 HydrophobicContact CE-CZ 3.64Å; M41-F67 HydrophobicContact SD-CE2 4.31Å; M41-F67 HydrophobicContact SD-CZ 4.34Å; M41-V71 HydrophobicContact CE-CG1 4.33Å; M41-V71 HydrophobicContact CE-CG2 3.41Å; M41-V71 VanDerWaalsContact CE-CG2 3.41Å; M41-L312 HydrophobicContact CE-CD2 4.48Å; M41-Y316 HydrophobicContact CB-CE1 4.07Å; M41-Y316 HydrophobicContact CE-CE2 4.33Å; M41-Y316 HydrophobicContact CG-CE1 4.37Å; M41-Y316 HydrophobicContact CG-CE2 4.29Å; M41-Y316 WeakPolarHBondContact CG-OH 3.29Å; M41-Y316 HydrophobicContact SD-CE2 4.17Å; M41-F469 HydrophobicContact SD-CD2 4.11Å; M41-F469 HydrophobicContact SD-CE2 3.87Å
42	P	87.6	Confident	78	Confident	66 Å²	66	66.7 Å²	66.7	43%	0.429	42%	0.417	S	S	.	.	G	3₁₀ helix	trans	-51.6	-28.5	-179.1	-29.8	37.1	0	0	0	114.2	A38 S44 A45	A38-P42 VanDerWaalsContact O-CA 3.24Å; A38-P42 WeakPolarHBondContact O-CA 3.48Å; P42-S44 PolarHBondContact O-N 2.64Å; P42-A45 WeakPolarHBondContact O-CB 3.45Å; P42-A45 PolarHBondContact O-N 2.75Å
43	E	87.3	Confident	80.4	Confident	10 Å²	10	55.6 Å²	55.6	5%	0.047	38%	0.375	C	S	.	.	G	3₁₀ helix	trans	-62	-23.3	176.2	-62.1	69.4	-162	0	0	113.5	M41 A45 F47 V71 Q74 R75 Y316	M41-E43 HydrophobicContact CE-CB 3.93Å; M41-E43 HydrophobicContact CE-CG 4.43Å; M41-E43 HydrophobicContact CG-CB 4.11Å; M41-E43 VanDerWaalsContact CG-OE2 3.31Å; M41-E43 WeakPolarHBondContact CG-OE2 3.46Å; M41-E43 PolarHBondContact O-N 2.78Å; E43-A45 PolarHBondContact O-N 2.92Å; E43-F47 WeakPolarHBondContact O-CZ 3.43Å; E43-V71 HydrophobicContact CB-CG2 3.79Å; E43-V71 HydrophobicContact CG-CB 4.46Å; E43-V71 HydrophobicContact CG-CG1 4.43Å; E43-V71 HydrophobicContact CG-CG2 4.16Å; E43-Q74 VanDerWaalsContact CA-OE1 3.28Å; E43-Q74 HydrophobicContact CG-CB 4.18Å; E43-R75 VanDerWaalsContact CD-NH2 3.29Å; E43-R75 HydrophobicContact CG-CG 4.3Å; E43-R75 IonicContact OE1-CZ 3.49Å; E43-R75 IonicContact OE1-NE 3.61Å; E43-R75 PolarHBondContact OE1-NE 3.44Å; E43-R75 IonicContact OE1-NH2 3.72Å; E43-R75 PolarHBondContact OE1-NH2 3Å; E43-R75 IonicContact OE2-CZ 3.9Å; E43-R75 IonicContact OE2-NE 3.29Å; E43-R75 IonicContact OE2-NH2 2.76Å; E43-R75 PolarHBondContact OE2-NH2 3.11Å; E43-Y316 PolarHBondContact OE2-OH 2.67Å
44	S	86	Confident	82.4	Confident	4 Å²	4	55.1 Å²	55.1	3%	0.028	37%	0.365	C	S	.	.	G	3₁₀ helix	trans	-81.4	-0.4	176.2	82.5	0	0	0	0	113.3	S37 A38 M41 P42 G46 F47	S37-S44 VanDerWaalsContact C-OG 3.29Å; S37-S44 PolarHBondContact O-OG 3.38Å; A38-S44 PolarHBondContact N-OG 2.85Å; M41-S44 WeakPolarHBondContact O-CB 3.48Å; M41-S44 PolarHBondContact O-N 3.35Å; M41-S44 PolarHBondContact O-OG 2.87Å; P42-S44 PolarHBondContact O-N 2.64Å; S44-G46 PolarHBondContact O-N 3.33Å; S44-F47 VanDerWaalsContact CA-CD2 3.42Å; S44-F47 VanDerWaalsContact CA-CE2 3.46Å; S44-F47 VanDerWaalsContact CB-CD2 3.43Å; S44-F47 PolarHBondContact O-N 3.12Å
45	A	81.3	Confident	84.1	Confident	69 Å²	69	51.2 Å²	51.2	57%	0.57	34%	0.339	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.5	99.9	170.8	0	0	0	0	0	109.1	A38 P42 E43	A38-A45 HydrophobicContact CB-CB 4.35Å; P42-A45 WeakPolarHBondContact O-CB 3.45Å; P42-A45 PolarHBondContact O-N 2.75Å; E43-A45 PolarHBondContact O-N 2.92Å
46	G	81.3	Confident	85.4	Confident	69 Å²	69	49.2 Å²	49.2	71%	0.711	33%	0.332	S	S	*	.	T	Hydrogen-bonded Turn	trans	119.1	-3.8	-176.5	0	0	0	0	0	114.8	S44 E48	S44-G46 PolarHBondContact O-N 3.33Å; G46-E48 PolarHBondContact O-N 2.73Å
47	F	90.3	Very high	86.3	Confident	22 Å²	22	45.5 Å²	45.5	10%	0.096	31%	0.311	C	S	.	.			trans	-79.3	109.8	170.9	-57.9	-18	0	0	0	109.9	E43 S44 V50 L56 Y59 F67 A70	E43-F47 WeakPolarHBondContact O-CZ 3.43Å; S44-F47 VanDerWaalsContact CA-CD2 3.42Å; S44-F47 VanDerWaalsContact CA-CE2 3.46Å; S44-F47 VanDerWaalsContact CB-CD2 3.43Å; S44-F47 PolarHBondContact O-N 3.12Å; F47-V50 HydrophobicContact CB-CB 4.13Å; F47-V50 HydrophobicContact CB-CG2 3.56Å; F47-L56 HydrophobicContact CD2-CD1 3.87Å; F47-L56 HydrophobicContact CE2-CD1 4.12Å; F47-Y59 HydrophobicContact CB-CD1 4.25Å; F47-Y59 HydrophobicContact CB-CD2 4.32Å; F47-Y59 HydrophobicContact CB-CE1 4.03Å; F47-Y59 HydrophobicContact CB-CE2 4.09Å; F47-Y59 HydrophobicContact CB-CG 4.4Å; F47-Y59 HydrophobicContact CD1-CD1 4.37Å; F47-Y59 AromaticContact CD1-CE1 3.59Å; F47-Y59 HydrophobicContact CD1-CE1 3.59Å; F47-Y59 AromaticContact CD1-CZ 3.85Å; F47-Y59 AromaticContact CD2-CD1 3.82Å; F47-Y59 HydrophobicContact CD2-CD1 3.82Å; F47-Y59 AromaticContact CD2-CE1 3.89Å; F47-Y59 HydrophobicContact CD2-CE1 3.89Å; F47-Y59 HydrophobicContact CE1-CE1 4Å; F47-Y59 HydrophobicContact CE2-CD1 4.29Å; F47-Y59 HydrophobicContact CE2-CE1 4.28Å; F47-Y59 AromaticContact CG-CD1 3.9Å; F47-Y59 HydrophobicContact CG-CD1 3.9Å; F47-Y59 AromaticContact CG-CE1 3.56Å; F47-Y59 HydrophobicContact CG-CE1 3.56Å; F47-Y59 AromaticContact CG-CZ 3.9Å; F47-Y59 HydrophobicContact CZ-CE1 4.35Å; F47-F67 HydrophobicContact CD2-CD2 4.28Å; F47-F67 AromaticContact CE2-CD2 3.44Å; F47-F67 HydrophobicContact CE2-CD2 3.44Å; F47-F67 VanDerWaalsContact CE2-CD2 3.44Å; F47-F67 AromaticContact CE2-CE2 3.88Å; F47-F67 HydrophobicContact CE2-CE2 3.88Å; F47-F67 HydrophobicContact CE2-CG 4.44Å; F47-F67 AromaticContact CZ-CD2 3.89Å; F47-F67 HydrophobicContact CZ-CD2 3.89Å; F47-A70 HydrophobicContact CE1-CB 3.72Å; F47-A70 HydrophobicContact CZ-CB 3.88Å
48	E	83.9	Confident	87.2	Confident	176 Å²	176	49.5 Å²	49.5	82%	0.822	33%	0.331	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64.2	138.6	179.7	-65	-173.2	174	0	0	111.6	G46 V50	G46-E48 PolarHBondContact O-N 2.73Å; E48-V50 PolarHBondContact O-N 3.24Å
49	G	81.6	Confident	88	Confident	77 Å²	77	49.3 Å²	49.3	79%	0.794	32%	0.323	S	S	*	.	T	Hydrogen-bonded Turn	trans	73.3	3.6	175.6	0	0	0	0	0	115.7	S51	G49-S51 PolarHBondContact O-N 3.09Å
50	V	86.1	Confident	88.9	Confident	16 Å²	16	45.7 Å²	45.7	10%	0.097	29%	0.294	C	S	.	.			trans	-86	101.1	-178.6	178.5	0	0	0	0	111.6	S37 F47 E48 A55 L56 Y59	S37-V50 PolarHBondContact OG-O 2.87Å; S37-V50 VanDerWaalsContact OG-O 3.13Å; F47-V50 HydrophobicContact CB-CB 4.13Å; F47-V50 HydrophobicContact CB-CG2 3.56Å; E48-V50 PolarHBondContact O-N 3.24Å; V50-A55 HydrophobicContact CG1-CB 4.46Å; V50-L56 HydrophobicContact CG1-CB 3.68Å; V50-L56 HydrophobicContact CG1-CD1 3.95Å; V50-L56 HydrophobicContact CG1-CG 4.39Å; V50-Y59 HydrophobicContact CG2-CD2 3.74Å; V50-Y59 HydrophobicContact CG2-CG 3.79Å
51	S	83.3	Confident	89.4	Confident	100 Å²	100	43.8 Å²	43.8	70%	0.699	29%	0.288	S	S	*	.			trans	-120.7	107.5	173.8	59.4	0	0	0	0	111.5	G49	G49-S51 PolarHBondContact O-N 3.09Å
52	G	86.7	Confident	89.8	Confident	10 Å²	10	47.6 Å²	47.6	10%	0.103	31%	0.314	C	S	.	.	S	Bend	trans	82.8	-175.2	-174.8	0	0	0	0	0	113.7	L56	G52-L56 WeakPolarHBondContact O-CB 3.49Å; G52-L56 PolarHBondContact O-N 3.35Å
53	R	91.6	Very high	90.2	Very high	6 Å²	6	48.8 Å²	48.8	2%	0.023	31%	0.314	C	S	.	.	H	α-helix	trans	-83.5	-34.9	-168	169.8	-91.1	-173.1	-125.8	-17.9	115.3	W35 L56 H57 P452 P467 F469	W35-R53 HydrophobicContact CD2-CB 4.32Å; W35-R53 HydrophobicContact CE3-CB 3.57Å; W35-R53 HydrophobicContact CH2-CB 3.17Å; W35-R53 HydrophobicContact CH2-CG 3.63Å; W35-R53 HydrophobicContact CZ2-CB 3.88Å; W35-R53 HydrophobicContact CZ2-CG 4.46Å; W35-R53 HydrophobicContact CZ3-CB 2.96Å; W35-R53 HydrophobicContact CZ3-CG 3.79Å; R53-L56 WeakPolarHBondContact O-CB 3.42Å; R53-L56 PolarHBondContact O-N 3.49Å; R53-H57 PolarHBondContact O-N 3.41Å; R53-P452 PolarHBondContact NE-O 3.09Å; R53-P467 PolarHBondContact NH2-O 2.69Å; R53-F469 HydrophobicContact CG-CE1 4.35Å
54	D	91.5	Very high	90.7	Very high	92 Å²	92	48.9 Å²	48.9	49%	0.492	32%	0.316	S	S	.	.	H	α-helix	trans	-67.1	-42.2	178	-68.1	-21.5	0	0	0	110.2	L56 H57 D58	D54-L56 VanDerWaalsContact C-N 3.27Å; D54-L56 PolarHBondContact O-N 3.12Å; D54-H57 PolarHBondContact O-N 3.05Å; D54-D58 WeakPolarHBondContact O-CB 3.22Å; D54-D58 PolarHBondContact O-N 3.2Å
55	A	93.1	Very high	91.2	Very high	28 Å²	28	53.3 Å²	53.3	23%	0.231	34%	0.336	C	S	.	.	H	α-helix	trans	-60	-35.7	170.9	0	0	0	0	0	112.8	V50 Y59	V50-A55 HydrophobicContact CG1-CB 4.46Å; A55-Y59 VanDerWaalsContact O-CB 3.28Å; A55-Y59 WeakPolarHBondContact O-CB 3.48Å; A55-Y59 PolarHBondContact O-N 3.31Å
56	L	95	Very high	91.9	Very high	1 Å²	1	54.3 Å²	54.3	1%	0.005	33%	0.332	C	S	.	.	H	α-helix	trans	-70.6	-39.6	176.2	-178.9	61.2	0	0	0	111.9	M41 F47 V50 G52 R53 D54 S60 F67 F469	M41-L56 HydrophobicContact CB-CD2 4.31Å; M41-L56 HydrophobicContact SD-CD2 3.95Å; F47-L56 HydrophobicContact CD2-CD1 3.87Å; F47-L56 HydrophobicContact CE2-CD1 4.12Å; V50-L56 HydrophobicContact CG1-CB 3.68Å; V50-L56 HydrophobicContact CG1-CD1 3.95Å; V50-L56 HydrophobicContact CG1-CG 4.39Å; G52-L56 WeakPolarHBondContact O-CB 3.49Å; G52-L56 PolarHBondContact O-N 3.35Å; R53-L56 WeakPolarHBondContact O-CB 3.42Å; R53-L56 PolarHBondContact O-N 3.49Å; D54-L56 VanDerWaalsContact C-N 3.27Å; D54-L56 PolarHBondContact O-N 3.12Å; L56-S60 WeakPolarHBondContact O-CB 3.41Å; L56-S60 PolarHBondContact O-N 2.92Å; L56-F67 HydrophobicContact CD1-CE2 4.01Å; L56-F469 HydrophobicContact CB-CE1 4.27Å; L56-F469 HydrophobicContact CD2-CE1 3.81Å; L56-F469 HydrophobicContact CD2-CE2 4.11Å; L56-F469 HydrophobicContact CD2-CZ 3.51Å; L56-F469 HydrophobicContact CG-CD1 4.28Å; L56-F469 HydrophobicContact CG-CE1 3.81Å; L56-F469 HydrophobicContact CG-CZ 4.04Å
57	H	95.9	Very high	92.7	Very high	19 Å²	19	51.1 Å²	51.1	9%	0.088	30%	0.298	C	S	.	.	H	α-helix	trans	-64.1	-49.6	172.9	175.1	-93	0	0	0	110.9	R53 D54 Y59 S60 V61 P467 F468 F469 I471	R53-H57 PolarHBondContact O-N 3.41Å; D54-H57 PolarHBondContact O-N 3.05Å; H57-Y59 VanDerWaalsContact C-N 3.28Å; H57-Y59 PolarHBondContact O-N 2.99Å; H57-S60 WeakPolarHBondContact O-CB 3.38Å; H57-S60 PolarHBondContact O-N 2.95Å; H57-S60 PolarHBondContact O-OG 3.04Å; H57-V61 WeakPolarHBondContact O-CG2 3.44Å; H57-V61 PolarHBondContact O-N 3.22Å; H57-P467 PolarHBondContact CD2-O 3.11Å; H57-P467 WeakPolarHBondContact NE2-CG 3.43Å; H57-F468 PolarHBondContact CD2-O 3.22Å; H57-F468 VanDerWaalsContact CD2-O 3.24Å; H57-F468 PolarHBondContact NE2-O 2.84Å; H57-F469 HydrophobicContact CB-CD1 4.23Å; H57-F469 HydrophobicContact CB-CE1 4.47Å; H57-I471 PolarHBondContact NE2-O 3.29Å
58	D	95.9	Very high	93	Very high	99 Å²	99	50 Å²	50	53%	0.529	29%	0.294	S	S	.	.	H	α-helix	trans	-57.3	-42.4	176.2	-74	-22.6	0	0	0	111.4	D54 V61 S62	D54-D58 WeakPolarHBondContact O-CB 3.22Å; D54-D58 PolarHBondContact O-N 3.2Å; D58-V61 PolarHBondContact O-N 3.4Å; D58-S62 VanDerWaalsContact O-CB 3.31Å; D58-S62 WeakPolarHBondContact O-CB 3.38Å; D58-S62 PolarHBondContact O-N 3.33Å; D58-S62 PolarHBondContact O-OG 2.91Å
59	Y	96.8	Very high	93.7	Very high	30 Å²	30	42 Å²	42	12%	0.118	26%	0.257	C	S	.	.	H	α-helix	trans	-62.5	-45.7	174.4	-170.2	-84.1	0	0	0	111.7	F47 V50 A55 H57 V61 S62 H63 N66 F67	F47-Y59 HydrophobicContact CB-CD1 4.25Å; F47-Y59 HydrophobicContact CB-CD2 4.32Å; F47-Y59 HydrophobicContact CB-CE1 4.03Å; F47-Y59 HydrophobicContact CB-CE2 4.09Å; F47-Y59 HydrophobicContact CB-CG 4.4Å; F47-Y59 HydrophobicContact CD1-CD1 4.37Å; F47-Y59 AromaticContact CD1-CE1 3.59Å; F47-Y59 HydrophobicContact CD1-CE1 3.59Å; F47-Y59 AromaticContact CD1-CZ 3.85Å; F47-Y59 AromaticContact CD2-CD1 3.82Å; F47-Y59 HydrophobicContact CD2-CD1 3.82Å; F47-Y59 AromaticContact CD2-CE1 3.89Å; F47-Y59 HydrophobicContact CD2-CE1 3.89Å; F47-Y59 HydrophobicContact CE1-CE1 4Å; F47-Y59 HydrophobicContact CE2-CD1 4.29Å; F47-Y59 HydrophobicContact CE2-CE1 4.28Å; F47-Y59 AromaticContact CG-CD1 3.9Å; F47-Y59 HydrophobicContact CG-CD1 3.9Å; F47-Y59 AromaticContact CG-CE1 3.56Å; F47-Y59 HydrophobicContact CG-CE1 3.56Å; F47-Y59 AromaticContact CG-CZ 3.9Å; F47-Y59 HydrophobicContact CZ-CE1 4.35Å; V50-Y59 HydrophobicContact CG2-CD2 3.74Å; V50-Y59 HydrophobicContact CG2-CG 3.79Å; A55-Y59 VanDerWaalsContact O-CB 3.28Å; A55-Y59 WeakPolarHBondContact O-CB 3.48Å; A55-Y59 PolarHBondContact O-N 3.31Å; H57-Y59 VanDerWaalsContact C-N 3.28Å; H57-Y59 PolarHBondContact O-N 2.99Å; Y59-V61 PolarHBondContact O-N 2.73Å; Y59-V61 VanDerWaalsContact O-N 3.14Å; Y59-S62 PolarHBondContact O-N 2.87Å; Y59-H63 HydrophobicContact CD1-CB 4.11Å; Y59-H63 HydrophobicContact CD2-CB 4.24Å; Y59-H63 AromaticContact CD2-ND1 3.91Å; Y59-H63 HydrophobicContact CE1-CB 3.83Å; Y59-H63 HydrophobicContact CE2-CB 3.98Å; Y59-H63 AromaticContact CE2-CG 3.9Å; Y59-H63 HydrophobicContact CG-CB 4.3Å; Y59-H63 CarbonylContact O-C 3.48Å; Y59-H63 WeakPolarHBondContact O-CA 3.48Å; Y59-H63 WeakPolarHBondContact O-CB 3.4Å; Y59-H63 PolarHBondContact O-N 2.56Å; Y59-N66 HydrophobicContact CE1-CB 4.39Å; Y59-F67 HydrophobicContact CD1-CB 4.19Å; Y59-F67 HydrophobicContact CD1-CD2 4.25Å; Y59-F67 HydrophobicContact CE1-CB 4.22Å
60	S	97.2	Very high	94.4	Very high	0 Å²	0	39.3 Å²	39.3	0%	0	23%	0.228	C	C	.	.	H	α-helix	trans	-62	-22.6	178.4	75.2	0	0	0	0	113.7	L56 H57 S64 F469 G470	L56-S60 WeakPolarHBondContact O-CB 3.41Å; L56-S60 PolarHBondContact O-N 2.92Å; H57-S60 WeakPolarHBondContact O-CB 3.38Å; H57-S60 PolarHBondContact O-N 2.95Å; H57-S60 PolarHBondContact O-OG 3.04Å; S60-S64 WeakPolarHBondContact O-CA 3.26Å; S60-F469 WeakPolarHBondContact OG-CA 3.45Å; S60-G470 PolarHBondContact OG-N 2.78Å
61	V	97.1	Very high	94.9	Very high	25 Å²	25	38.6 Å²	38.6	15%	0.152	22%	0.223	C	C	.	.	H	α-helix	trans	-91.6	-50.2	178	169.8	0	0	0	0	111.3	H57 D58 Y59 K472	H57-V61 WeakPolarHBondContact O-CG2 3.44Å; H57-V61 PolarHBondContact O-N 3.22Å; D58-V61 PolarHBondContact O-N 3.4Å; Y59-V61 PolarHBondContact O-N 2.73Å; Y59-V61 VanDerWaalsContact O-N 3.14Å; V61-K472 HydrophobicContact CG1-CB 4.26Å; V61-K472 HydrophobicContact CG1-CD 3.76Å; V61-K472 HydrophobicContact CG1-CG 4.18Å; V61-K472 HydrophobicContact CG2-CB 4.47Å
62	S	96.6	Very high	95.6	Very high	81 Å²	81	33.8 Å²	33.8	57%	0.566	19%	0.19	S	C	*	.	H	α-helix	trans	-77.4	-30.2	-175.6	56.9	0	0	0	0	113.8	D58 Y59	D58-S62 VanDerWaalsContact O-CB 3.31Å; D58-S62 WeakPolarHBondContact O-CB 3.38Å; D58-S62 PolarHBondContact O-N 3.33Å; D58-S62 PolarHBondContact O-OG 2.91Å; Y59-S62 PolarHBondContact O-N 2.87Å
63	H	96.8	Very high	96.1	Very high	90 Å²	90	40.4 Å²	40.4	42%	0.417	21%	0.212	S	C	.	.	T	Hydrogen-bonded Turn	trans	-121.6	43.1	-179.5	-59.2	81.1	0	0	0	110.4	Y59 E65 N66 F67	Y59-H63 HydrophobicContact CD1-CB 4.11Å; Y59-H63 HydrophobicContact CD2-CB 4.24Å; Y59-H63 AromaticContact CD2-ND1 3.91Å; Y59-H63 HydrophobicContact CE1-CB 3.83Å; Y59-H63 HydrophobicContact CE2-CB 3.98Å; Y59-H63 AromaticContact CE2-CG 3.9Å; Y59-H63 HydrophobicContact CG-CB 4.3Å; Y59-H63 CarbonylContact O-C 3.48Å; Y59-H63 WeakPolarHBondContact O-CA 3.48Å; Y59-H63 WeakPolarHBondContact O-CB 3.4Å; Y59-H63 PolarHBondContact O-N 2.56Å; H63-E65 VanDerWaalsContact C-N 3.3Å; H63-E65 PolarHBondContact O-N 3.1Å; H63-N66 HydrophobicContact CB-CB 4.43Å; H63-N66 PolarHBondContact O-N 3.24Å; H63-N66 VanDerWaalsContact O-N 3.08Å; H63-F67 PolarHBondContact O-N 3.39Å
64	S	96.3	Very high	96.3	Very high	13 Å²	13	45 Å²	45	9%	0.091	23%	0.233	C	C	.	.	H	α-helix	trans	-46.5	-47.1	-175	179.1	0	0	0	0	113.4	S60 N66 F67 W68	S60-S64 WeakPolarHBondContact O-CA 3.26Å; S64-N66 PolarHBondContact O-N 3.17Å; S64-F67 PolarHBondContact O-N 3.22Å; S64-W68 WeakPolarHBondContact O-CB 3.43Å; S64-W68 PolarHBondContact O-N 3.2Å; S64-W68 VanDerWaalsContact OG-CD1 3.31Å
65	E	96.3	Very high	96.4	Very high	97 Å²	97	42 Å²	42	45%	0.453	22%	0.215	S	C	.	.	H	α-helix	trans	-62.7	-46.9	-179.5	-62.7	-168	177.1	0	0	112.6	H63 A69 V85 Q86	H63-E65 VanDerWaalsContact C-N 3.3Å; H63-E65 PolarHBondContact O-N 3.1Å; E65-A69 WeakPolarHBondContact O-CB 3.27Å; E65-A69 PolarHBondContact O-N 3.34Å; E65-V85 HydrophobicContact CB-CB 4.38Å; E65-Q86 HydrophobicContact CG-CG 3.83Å; E65-Q86 WeakPolarHBondContact OE1-CG 3.29Å; E65-Q86 PolarHBondContact OE1-NE2 3.01Å
66	N	96.3	Very high	96.7	Very high	90 Å²	90	41 Å²	41	48%	0.481	21%	0.205	S	C	.	.	H	α-helix	trans	-64.4	-44.2	179.7	-68.7	-16.4	0	0	0	110.8	Y59 H63 S64 A70	Y59-N66 HydrophobicContact CE1-CB 4.39Å; H63-N66 HydrophobicContact CB-CB 4.43Å; H63-N66 PolarHBondContact O-N 3.24Å; H63-N66 VanDerWaalsContact O-N 3.08Å; S64-N66 PolarHBondContact O-N 3.17Å; N66-A70 WeakPolarHBondContact O-CB 3.24Å; N66-A70 PolarHBondContact O-N 3.19Å; N66-A70 VanDerWaalsContact O-N 3.1Å
67	F	97.6	Very high	96.8	Very high	1 Å²	1	44.6 Å²	44.6	0%	0.004	23%	0.225	C	C	.	.	H	α-helix	trans	-59.1	-57.3	177.6	179.5	-93	0	0	0	110.9	M41 F47 L56 Y59 H63 S64 A69 A70 V71 F469	M41-F67 HydrophobicContact CE-CE2 3.85Å; M41-F67 HydrophobicContact CE-CZ 3.64Å; M41-F67 HydrophobicContact SD-CE2 4.31Å; M41-F67 HydrophobicContact SD-CZ 4.34Å; F47-F67 HydrophobicContact CD2-CD2 4.28Å; F47-F67 AromaticContact CE2-CD2 3.44Å; F47-F67 HydrophobicContact CE2-CD2 3.44Å; F47-F67 VanDerWaalsContact CE2-CD2 3.44Å; F47-F67 AromaticContact CE2-CE2 3.88Å; F47-F67 HydrophobicContact CE2-CE2 3.88Å; F47-F67 HydrophobicContact CE2-CG 4.44Å; F47-F67 AromaticContact CZ-CD2 3.89Å; F47-F67 HydrophobicContact CZ-CD2 3.89Å; L56-F67 HydrophobicContact CD1-CE2 4.01Å; Y59-F67 HydrophobicContact CD1-CB 4.19Å; Y59-F67 HydrophobicContact CD1-CD2 4.25Å; Y59-F67 HydrophobicContact CE1-CB 4.22Å; H63-F67 PolarHBondContact O-N 3.39Å; S64-F67 PolarHBondContact O-N 3.22Å; F67-A69 VanDerWaalsContact C-N 3.34Å; F67-A69 PolarHBondContact O-N 3.34Å; F67-A70 PolarHBondContact O-N 2.97Å; F67-V71 HydrophobicContact CD1-CG2 4.38Å; F67-V71 HydrophobicContact CE1-CG2 4.13Å; F67-V71 HydrophobicContact CE2-CG2 4.33Å; F67-V71 HydrophobicContact CZ-CG2 4.11Å; F67-V71 WeakPolarHBondContact O-CB 3.29Å; F67-V71 WeakPolarHBondContact O-CG2 3.5Å; F67-V71 PolarHBondContact O-N 3.39Å; F67-F469 HydrophobicContact CE1-CB 3.99Å; F67-F469 HydrophobicContact CE2-CB 4.46Å; F67-F469 HydrophobicContact CZ-CB 3.6Å; F67-F469 HydrophobicContact CZ-CD2 4.23Å; F67-F469 HydrophobicContact CZ-CG 4.05Å
68	W	98.1	Very high	97	Very high	0 Å²	0	45.9 Å²	45.9	0%	0	23%	0.229	C	C	.	.	H	α-helix	trans	-69	-31.7	-176.3	-69.3	119.4	0	0	0	112.7	S64 A72 V85 W97 F98 L308 Y309 L312 P499	S64-W68 WeakPolarHBondContact O-CB 3.43Å; S64-W68 PolarHBondContact O-N 3.2Å; S64-W68 VanDerWaalsContact OG-CD1 3.31Å; W68-A72 WeakPolarHBondContact O-CB 3.44Å; W68-A72 PolarHBondContact O-N 3.02Å; W68-V85 HydrophobicContact CB-CG1 3.88Å; W68-W97 HydrophobicContact CB-CE3 4.48Å; W68-W97 HydrophobicContact CB-CZ3 3.87Å; W68-W97 AromaticContact CD1-CH2 3.5Å; W68-W97 VanDerWaalsContact CD1-CH2 3.5Å; W68-W97 AromaticContact CD1-CZ3 3.36Å; W68-W97 HydrophobicContact CG-CE3 4.5Å; W68-W97 HydrophobicContact CG-CH2 4.21Å; W68-W97 AromaticContact CG-CZ3 3.67Å; W68-W97 HydrophobicContact CG-CZ3 3.67Å; W68-W97 AromaticContact NE1-CH2 3.85Å; W68-F98 HydrophobicContact CB-CE1 4.21Å; W68-F98 HydrophobicContact CB-CZ 4.24Å; W68-L308 HydrophobicContact CE3-CD2 3.99Å; W68-L308 HydrophobicContact CZ3-CD2 4.31Å; W68-Y309 AromaticContact CH2-CD2 3.71Å; W68-Y309 HydrophobicContact CH2-CD2 3.71Å; W68-Y309 AromaticContact CH2-CE2 3.9Å; W68-Y309 HydrophobicContact CH2-CE2 3.9Å; W68-Y309 HydrophobicContact CZ2-CD2 4.38Å; W68-Y309 HydrophobicContact CZ2-CE2 4.32Å; W68-Y309 HydrophobicContact CZ3-CD2 4.41Å; W68-L312 HydrophobicContact CE3-CD1 4.43Å; W68-L312 HydrophobicContact CH2-CD1 4.24Å; W68-L312 HydrophobicContact CZ3-CD1 3.49Å; W68-L312 VanDerWaalsContact CZ3-CD1 3.49Å; W68-P499 HydrophobicContact CD2-CG 3.49Å; W68-P499 VanDerWaalsContact CD2-CG 3.49Å; W68-P499 VanDerWaalsContact CE2-CD 3.45Å; W68-P499 HydrophobicContact CE3-CG 3.65Å; W68-P499 HydrophobicContact CG-CG 3.99Å; W68-P499 HydrophobicContact CH2-CG 4.1Å; W68-P499 HydrophobicContact CZ2-CG 3.96Å; W68-P499 HydrophobicContact CZ3-CG 3.93Å
69	A	97.6	Very high	97.1	Very high	6 Å²	6	46 Å²	46	5%	0.05	23%	0.228	C	C	.	.	H	α-helix	trans	-61.7	-49.2	173.6	0	0	0	0	0	112.2	E65 F67 R73 F82 V85	E65-A69 WeakPolarHBondContact O-CB 3.27Å; E65-A69 PolarHBondContact O-N 3.34Å; F67-A69 VanDerWaalsContact C-N 3.34Å; F67-A69 PolarHBondContact O-N 3.34Å; A69-R73 WeakPolarHBondContact O-CB 3.38Å; A69-R73 VanDerWaalsContact O-CG 3.25Å; A69-R73 WeakPolarHBondContact O-CG 3.26Å; A69-R73 PolarHBondContact O-N 3.42Å; A69-R73 VanDerWaalsContact O-N 3.15Å; A69-F82 HydrophobicContact CB-CE2 4.33Å; A69-F82 HydrophobicContact CB-CZ 4.32Å; A69-V85 HydrophobicContact CB-CG2 3.65Å
70	A	96.6	Very high	97.2	Very high	22 Å²	22	50.5 Å²	50.5	18%	0.182	25%	0.245	C	C	.	.	H	α-helix	trans	-62.7	-47.8	-180	0	0	0	0	0	110.7	F47 N66 F67 R73 Q74	F47-A70 HydrophobicContact CE1-CB 3.72Å; F47-A70 HydrophobicContact CZ-CB 3.88Å; N66-A70 WeakPolarHBondContact O-CB 3.24Å; N66-A70 PolarHBondContact O-N 3.19Å; N66-A70 VanDerWaalsContact O-N 3.1Å; F67-A70 PolarHBondContact O-N 2.97Å; A70-R73 PolarHBondContact O-N 3.18Å; A70-Q74 VanDerWaalsContact O-CG 3.32Å; A70-Q74 WeakPolarHBondContact O-CG 3.31Å; A70-Q74 PolarHBondContact O-N 3.31Å
71	V	96.9	Very high	97.2	Very high	0 Å²	0	54.7 Å²	54.7	0%	0	27%	0.273	C	S	.	.	H	α-helix	trans	-65.2	-45.1	-177.3	177.9	0	0	0	0	111.7	M41 E43 F67 R73 Q74 R75 L308 L312	M41-V71 HydrophobicContact CE-CG1 4.33Å; M41-V71 HydrophobicContact CE-CG2 3.41Å; M41-V71 VanDerWaalsContact CE-CG2 3.41Å; E43-V71 HydrophobicContact CB-CG2 3.79Å; E43-V71 HydrophobicContact CG-CB 4.46Å; E43-V71 HydrophobicContact CG-CG1 4.43Å; E43-V71 HydrophobicContact CG-CG2 4.16Å; F67-V71 HydrophobicContact CD1-CG2 4.38Å; F67-V71 HydrophobicContact CE1-CG2 4.13Å; F67-V71 HydrophobicContact CE2-CG2 4.33Å; F67-V71 HydrophobicContact CZ-CG2 4.11Å; F67-V71 WeakPolarHBondContact O-CB 3.29Å; F67-V71 WeakPolarHBondContact O-CG2 3.5Å; F67-V71 PolarHBondContact O-N 3.39Å; V71-R73 PolarHBondContact O-N 2.79Å; V71-Q74 PolarHBondContact O-N 2.73Å; V71-R75 HydrophobicContact CG1-CG 4.23Å; V71-R75 VanDerWaalsContact O-CB 3.26Å; V71-R75 WeakPolarHBondContact O-CB 3.03Å; V71-R75 WeakPolarHBondContact O-CG 3.05Å; V71-R75 PolarHBondContact O-N 3.36Å; V71-L308 HydrophobicContact CG1-CD1 4.07Å; V71-L312 HydrophobicContact CG1-CD1 3.4Å; V71-L312 VanDerWaalsContact CG1-CD1 3.4Å; V71-L312 HydrophobicContact CG1-CD2 3.56Å; V71-L312 HydrophobicContact CG1-CG 4.02Å
72	A	98.1	Very high	97.2	Very high	0 Å²	0	54 Å²	54	0%	0	27%	0.267	C	S	.	.	H	α-helix	trans	-64.6	-38.7	179.5	0	0	0	0	0	113.2	W68 L76 W78 F82 F98 L308	W68-A72 WeakPolarHBondContact O-CB 3.44Å; W68-A72 PolarHBondContact O-N 3.02Å; A72-L76 PolarHBondContact O-N 3.15Å; A72-W78 HydrophobicContact CB-CZ2 4.17Å; A72-W78 PolarHBondContact O-NE1 2.87Å; A72-F82 HydrophobicContact CB-CE1 3.72Å; A72-F82 HydrophobicContact CB-CZ 4.09Å; A72-F98 HydrophobicContact CB-CD1 3.9Å; A72-F98 HydrophobicContact CB-CE1 3.41Å; A72-F98 VanDerWaalsContact CB-CE1 3.41Å; A72-F98 HydrophobicContact CB-CE2 4.43Å; A72-F98 HydrophobicContact CB-CZ 3.73Å; A72-L308 HydrophobicContact CB-CD2 3.72Å
73	R	96.9	Very high	97.3	Very high	149 Å²	149	56.7 Å²	56.7	56%	0.562	27%	0.271	S	S	*	.	H	α-helix	trans	-69.4	-31.9	178.9	-73.9	173	-174.7	143.8	1.4	113	A69 A70 V71 F82	A69-R73 WeakPolarHBondContact O-CB 3.38Å; A69-R73 VanDerWaalsContact O-CG 3.25Å; A69-R73 WeakPolarHBondContact O-CG 3.26Å; A69-R73 PolarHBondContact O-N 3.42Å; A69-R73 VanDerWaalsContact O-N 3.15Å; A70-R73 PolarHBondContact O-N 3.18Å; V71-R73 PolarHBondContact O-N 2.79Å; R73-F82 HydrophobicContact CG-CE1 3.84Å; R73-F82 HydrophobicContact CG-CZ 3.73Å
74	Q	94.9	Very high	97.3	Very high	103 Å²	103	54.3 Å²	54.3	48%	0.481	27%	0.267	S	S	.	.	H	α-helix	trans	-89.3	-31.9	-177.2	-66.7	178.5	42.2	0	0	112.9	E43 A70 V71	E43-Q74 VanDerWaalsContact CA-OE1 3.28Å; E43-Q74 HydrophobicContact CG-CB 4.18Å; A70-Q74 VanDerWaalsContact O-CG 3.32Å; A70-Q74 WeakPolarHBondContact O-CG 3.31Å; A70-Q74 PolarHBondContact O-N 3.31Å; V71-Q74 PolarHBondContact O-N 2.73Å
75	R	95.4	Very high	97.4	Very high	29 Å²	29	54.5 Å²	54.5	11%	0.109	27%	0.267	C	S	.	.	H	α-helix	trans	-92.5	-27.7	-173.2	-72.2	-85.3	178.6	-156.8	-14	114.8	E43 V71 R112 L308 L312 Y316	E43-R75 VanDerWaalsContact CD-NH2 3.29Å; E43-R75 HydrophobicContact CG-CG 4.3Å; E43-R75 IonicContact OE1-CZ 3.49Å; E43-R75 IonicContact OE1-NE 3.61Å; E43-R75 PolarHBondContact OE1-NE 3.44Å; E43-R75 IonicContact OE1-NH2 3.72Å; E43-R75 PolarHBondContact OE1-NH2 3Å; E43-R75 IonicContact OE2-CZ 3.9Å; E43-R75 IonicContact OE2-NE 3.29Å; E43-R75 IonicContact OE2-NH2 2.76Å; E43-R75 PolarHBondContact OE2-NH2 3.11Å; V71-R75 HydrophobicContact CG1-CG 4.23Å; V71-R75 VanDerWaalsContact O-CB 3.26Å; V71-R75 WeakPolarHBondContact O-CB 3.03Å; V71-R75 WeakPolarHBondContact O-CG 3.05Å; V71-R75 PolarHBondContact O-N 3.36Å; R75-R112 PolarHBondContact O-NH1 2.84Å; R75-R112 PolarHBondContact O-NH2 2.82Å; R75-L308 HydrophobicContact CB-CD1 3.78Å; R75-L308 HydrophobicContact CG-CD1 4.46Å; R75-L312 HydrophobicContact CG-CD2 4.19Å; R75-Y316 PolarHBondContact NH2-OH 3.36Å
76	L	98.2	Very high	97.4	Very high	5 Å²	5	52.4 Å²	52.4	3%	0.026	26%	0.258	C	S	.	.	S	Bend	trans	-113.1	143	-177.3	-61.3	-177.3	0	0	0	111.3	A72 W78 L103 N108 A304 L307 L308	A72-L76 PolarHBondContact O-N 3.15Å; L76-W78 HydrophobicContact CD1-CZ2 4.13Å; L76-L103 HydrophobicContact CD1-CD1 4.12Å; L76-N108 WeakPolarHBondContact CA-OD1 3.29Å; L76-A304 HydrophobicContact CD1-CB 4.27Å; L76-L307 HydrophobicContact CD2-CD2 3.78Å; L76-L307 HydrophobicContact CD2-CG 4.06Å; L76-L308 HydrophobicContact CD1-CB 3.96Å; L76-L308 HydrophobicContact CD1-CD1 4.24Å; L76-L308 HydrophobicContact CG-CD1 4.04Å
77	N	98.2	Very high	97.4	Very high	78 Å²	78	50.2 Å²	50.2	42%	0.417	25%	0.246	S	C	.	.			trans	-85	116.7	169	-67.9	22.6	0	0	0	108.3	N108 R112	N77-N108 PolarHBondContact N-OD1 2.9Å; N77-N108 PolarHBondContact O-ND2 2.94Å; N77-N108 VanDerWaalsContact O-ND2 3.08Å; N77-R112 WeakPolarHBondContact ND2-CB 3.38Å; N77-R112 PolarHBondContact OD1-NH1 3.03Å; N77-R112 VanDerWaalsContact OD1-NH1 3.12Å
78	W	98.6	Very high	97.4	Very high	45 Å²	45	51.9 Å²	51.9	17%	0.17	26%	0.258	C	S	.	.			trans	-99	134.9	178	-62.7	85.6	0	0	0	109.9	A72 L76 F82 F98 K102 L103 A304	A72-W78 HydrophobicContact CB-CZ2 4.17Å; A72-W78 PolarHBondContact O-NE1 2.87Å; L76-W78 HydrophobicContact CD1-CZ2 4.13Å; W78-F82 HydrophobicContact CD2-CD1 4.19Å; W78-F82 AromaticContact CE2-CD1 3.76Å; W78-F82 AromaticContact CE2-CE1 3.99Å; W78-F82 HydrophobicContact CE3-CD1 4.34Å; W78-F82 AromaticContact CH2-CD1 3.71Å; W78-F82 HydrophobicContact CH2-CD1 3.71Å; W78-F82 HydrophobicContact CH2-CE1 4.43Å; W78-F82 AromaticContact CZ2-CD1 3.53Å; W78-F82 HydrophobicContact CZ2-CD1 3.53Å; W78-F82 AromaticContact CZ2-CE1 3.83Å; W78-F82 HydrophobicContact CZ2-CE1 3.83Å; W78-F82 HydrophobicContact CZ3-CB 4.47Å; W78-F82 HydrophobicContact CZ3-CD1 4.13Å; W78-F98 HydrophobicContact CH2-CB 3.49Å; W78-F98 VanDerWaalsContact CH2-CB 3.49Å; W78-F98 HydrophobicContact CH2-CD2 4.24Å; W78-F98 AromaticContact CH2-CG 3.9Å; W78-F98 HydrophobicContact CH2-CG 3.9Å; W78-F98 HydrophobicContact CZ2-CB 4.28Å; W78-F98 HydrophobicContact CZ2-CG 4.29Å; W78-F98 HydrophobicContact CZ3-CB 4.2Å; W78-K102 CarbonylContact C-O 3.57Å; W78-L103 HydrophobicContact CE3-CB 4.31Å; W78-L103 HydrophobicContact CZ3-CD2 4.1Å; W78-A304 HydrophobicContact CH2-CB 3.47Å; W78-A304 VanDerWaalsContact CH2-CB 3.47Å; W78-A304 HydrophobicContact CZ2-CB 4.23Å; W78-A304 HydrophobicContact CZ3-CB 4.09Å
79	I	98.4	Very high	97.3	Very high	101 Å²	101	54.2 Å²	54.2	52%	0.518	27%	0.27	S	S	.	.	S	Bend	trans	-72.9	-42.6	166.1	-61.8	165.3	0	0	0	108.9	K102 N104 A277	I79-K102 WeakPolarHBondContact CA-O 3.47Å; I79-K102 HydrophobicContact CB-CB 4.36Å; I79-K102 PolarHBondContact N-O 2.99Å; I79-N104 HydrophobicContact CD1-CB 4.48Å; I79-A277 HydrophobicContact CD1-CB 3.94Å
80	R	98.3	Very high	97.1	Very high	125 Å²	125	54.6 Å²	54.6	47%	0.472	27%	0.271	S	S	.	.	B	Isolated β-bridge	trans	-131.4	126.7	170.2	-177.9	-178	173.1	165.9	-3.7	108.4	E83 G101 K102	R80-E83 IonicContact CZ-OE1 2.84Å; R80-E83 IonicContact NE-OE1 2.79Å; R80-E83 IonicContact NH2-OE1 2.82Å; R80-E83 PolarHBondContact NH2-OE1 3.23Å; R80-G101 CarbonylContact O-C 3.6Å; R80-G101 WeakPolarHBondContact O-CA 3.35Å; R80-K102 HydrophobicContact CB-CB 3.95Å; R80-K102 HydrophobicContact CB-CG 4.23Å; R80-K102 PolarHBondContact N-O 2.89Å; R80-K102 VanDerWaalsContact N-O 3.09Å; R80-K102 PolarHBondContact O-N 2.85Å
81	P	97.7	Very high	96.8	Very high	88 Å²	88	57.1 Å²	57.1	57%	0.571	29%	0.287	S	S	*	.			trans	-58.5	148	174	-23.5	33.9	0	0	0	112.1
82	F	98.5	Very high	96.5	Very high	10 Å²	10	62.4 Å²	62.4	4%	0.044	31%	0.312	C	S	.	.			trans	-73.8	154.2	174.4	58.5	-94	0	0	0	112.6	A69 A72 R73 W78 V85 F98	A69-F82 HydrophobicContact CB-CE2 4.33Å; A69-F82 HydrophobicContact CB-CZ 4.32Å; A72-F82 HydrophobicContact CB-CE1 3.72Å; A72-F82 HydrophobicContact CB-CZ 4.09Å; R73-F82 HydrophobicContact CG-CE1 3.84Å; R73-F82 HydrophobicContact CG-CZ 3.73Å; W78-F82 HydrophobicContact CD2-CD1 4.19Å; W78-F82 AromaticContact CE2-CD1 3.76Å; W78-F82 AromaticContact CE2-CE1 3.99Å; W78-F82 HydrophobicContact CE3-CD1 4.34Å; W78-F82 AromaticContact CH2-CD1 3.71Å; W78-F82 HydrophobicContact CH2-CD1 3.71Å; W78-F82 HydrophobicContact CH2-CE1 4.43Å; W78-F82 AromaticContact CZ2-CD1 3.53Å; W78-F82 HydrophobicContact CZ2-CD1 3.53Å; W78-F82 AromaticContact CZ2-CE1 3.83Å; W78-F82 HydrophobicContact CZ2-CE1 3.83Å; W78-F82 HydrophobicContact CZ3-CB 4.47Å; W78-F82 HydrophobicContact CZ3-CD1 4.13Å; F82-V85 HydrophobicContact CD2-CG2 4.42Å; F82-V85 HydrophobicContact CE2-CG2 3.83Å; F82-F98 HydrophobicContact CB-CB 3.77Å; F82-F98 WeakPolarHBondContact CB-O 3.28Å; F82-F98 HydrophobicContact CD1-CB 3.91Å; F82-F98 AromaticContact CD1-CD1 3.92Å; F82-F98 HydrophobicContact CD1-CD1 3.92Å; F82-F98 HydrophobicContact CD1-CG 4.24Å; F82-F98 HydrophobicContact CD2-CD1 4.19Å; F82-F98 AromaticContact CE1-CD1 3.89Å; F82-F98 HydrophobicContact CE1-CD1 3.89Å; F82-F98 HydrophobicContact CE2-CD1 4.17Å; F82-F98 HydrophobicContact CG-CB 3.8Å; F82-F98 HydrophobicContact CG-CD1 4.08Å; F82-F98 HydrophobicContact CG-CG 4.41Å; F82-F98 HydrophobicContact CZ-CD1 4.01Å; F82-F98 HydrophobicContact CZ-CE1 4.48Å
83	E	97.1	Very high	96.1	Very high	139 Å²	139	62.5 Å²	62.5	65%	0.65	31%	0.313	S	S	*	.	S	Bend	trans	-102.5	-38.1	-178.2	-65.6	173.6	-171	0	0	111.3	R80 E99	R80-E83 IonicContact CZ-OE1 2.84Å; R80-E83 IonicContact NE-OE1 2.79Å; R80-E83 IonicContact NH2-OE1 2.82Å; R80-E83 PolarHBondContact NH2-OE1 3.23Å; E83-E99 PolarHBondContact N-O 3.27Å
84	A	97.7	Very high	96	Very high	39 Å²	39	60 Å²	60	32%	0.322	30%	0.303	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-122	136.3	176.6	0	0	0	0	0	111	F98 E99	A84-F98 CarbonylContact O-C 3.51Å; A84-F98 VanDerWaalsContact O-C 3.31Å; A84-F98 WeakPolarHBondContact O-CA 3.5Å; A84-F98 PolarHBondContact O-N 3.48Å; A84-E99 HydrophobicContact CB-CB 4.36Å; A84-E99 PolarHBondContact N-O 2.88Å; A84-E99 PolarHBondContact O-N 3.01Å
85	V	98.1	Very high	96.1	Very high	17 Å²	17	55.5 Å²	55.5	10%	0.103	28%	0.282	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-79	-46.2	-175.8	-178.7	0	0	0	0	111.6	E65 W68 A69 F82 W97 F98	E65-V85 HydrophobicContact CB-CB 4.38Å; W68-V85 HydrophobicContact CB-CG1 3.88Å; A69-V85 HydrophobicContact CB-CG2 3.65Å; F82-V85 HydrophobicContact CD2-CG2 4.42Å; F82-V85 HydrophobicContact CE2-CG2 3.83Å; V85-W97 HydrophobicContact CG1-CE3 4.33Å; V85-W97 HydrophobicContact CG1-CZ3 4.19Å; V85-W97 CarbonylContact O-C 3.52Å; V85-W97 VanDerWaalsContact O-CA 3.29Å; V85-W97 WeakPolarHBondContact O-CA 3.4Å; V85-W97 VanDerWaalsContact O-CE3 3.29Å; V85-F98 HydrophobicContact CG1-CD1 4.39Å; V85-F98 HydrophobicContact CG1-CE1 4.03Å; V85-F98 PolarHBondContact O-N 2.71Å
86	Q	96.7	Very high	96.2	Very high	54 Å²	54	57.6 Å²	57.6	25%	0.252	29%	0.292	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-143.3	141.3	-178.3	65.8	-179	-4.1	0	0	110	E65 K96 W97	E65-Q86 HydrophobicContact CG-CG 3.83Å; E65-Q86 WeakPolarHBondContact OE1-CG 3.29Å; E65-Q86 PolarHBondContact OE1-NE2 3.01Å; Q86-K96 WeakPolarHBondContact CA-O 3.49Å; Q86-W97 HydrophobicContact CB-CD2 4.28Å; Q86-W97 HydrophobicContact CB-CE3 3.96Å; Q86-W97 HydrophobicContact CB-CH2 4.1Å; Q86-W97 HydrophobicContact CB-CZ2 4.4Å; Q86-W97 HydrophobicContact CB-CZ3 3.86Å
87	D	96.9	Very high	96.2	Very high	44 Å²	44	57.3 Å²	57.3	24%	0.235	29%	0.291	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.2	84.6	166.8	176.2	27.4	0	0	0	107	R94 K96 E99	D87-R94 IonicContact OD1-CZ 3.17Å; D87-R94 IonicContact OD1-NH1 3.03Å; D87-R94 PolarHBondContact OD1-NH1 2.78Å; D87-R94 IonicContact OD1-NH2 2.66Å; D87-R94 PolarHBondContact OD1-NH2 3.22Å; D87-R94 IonicContact OD2-CZ 3.88Å; D87-R94 IonicContact OD2-NH1 3.61Å; D87-R94 PolarHBondContact OD2-NH1 3.26Å; D87-K96 HydrophobicContact CB-CB 4.28Å; D87-K96 PolarHBondContact N-O 3.39Å; D87-K96 PolarHBondContact O-N 3.14Å; D87-K96 VanDerWaalsContact O-N 3.13Å; D87-E99 VanDerWaalsContact CB-OE2 3.25Å; D87-E99 WeakPolarHBondContact CB-OE2 3.37Å
88	C	96.8	Very high	96.3	Very high	36 Å²	36	53.6 Å²	53.6	24%	0.243	27%	0.271	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.8	136.8	-167.6	-67.4	0	0	0	0	112.7	R94 I95 K96 P497	C88-R94 CarbonylContact C-O 3.25Å; C88-R94 WeakPolarHBondContact CA-O 3.5Å; C88-I95 HydrophobicContact CB-CD1 4.34Å; C88-K96 PolarHBondContact SG-N 3.43Å; C88-K96 PolarHBondContact SG-O 3.14Å; C88-P497 HydrophobicContact CB-CB 3.88Å; C88-P497 HydrophobicContact CB-CG 3.48Å; C88-P497 VanDerWaalsContact CB-CG 3.48Å
89	D	95	Very high	96.2	Very high	48 Å²	48	54.2 Å²	54.2	26%	0.257	28%	0.276	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.9	107.3	172	-176.7	-13.1	0	0	0	109.3	S91 Q92 G93 R94	D89-S91 VanDerWaalsContact C-N 3.27Å; D89-S91 PolarHBondContact O-N 3.3Å; D89-S91 WeakPolarHBondContact OD1-CA 3.42Å; D89-S91 WeakPolarHBondContact OD1-CB 3.47Å; D89-S91 PolarHBondContact OD1-N 3.05Å; D89-S91 PolarHBondContact OD1-OG 3.16Å; D89-S91 PolarHBondContact OD2-OG 3.01Å; D89-Q92 HydrophobicContact CB-CB 4.43Å; D89-Q92 PolarHBondContact O-N 3.44Å; D89-G93 PolarHBondContact O-N 2.83Å; D89-R94 HydrophobicContact CB-CB 4.44Å; D89-R94 PolarHBondContact N-O 2.79Å; D89-R94 PolarHBondContact O-N 2.85Å
90	L	94.3	Very high	96.2	Very high	14 Å²	14	50.8 Å²	50.8	7%	0.073	27%	0.266	C	S	.	.	G	3₁₀ helix	trans	-66.9	-26.7	179.1	-63.2	179.1	0	0	0	112.4	Q92 G93 I95 P497 M501 F517 G522	L90-Q92 PolarHBondContact O-N 2.99Å; L90-G93 PolarHBondContact O-N 2.88Å; L90-I95 HydrophobicContact CD2-CD1 3.82Å; L90-P497 HydrophobicContact CD2-CB 4.22Å; L90-M501 HydrophobicContact CD2-CE 4.23Å; L90-F517 HydrophobicContact CB-CD1 4.24Å; L90-F517 HydrophobicContact CB-CE1 4.3Å; L90-F517 HydrophobicContact CD2-CD1 4.47Å; L90-F517 HydrophobicContact CD2-CE1 3.74Å; L90-F517 WeakPolarHBondContact O-CD1 3.16Å; L90-G522 WeakPolarHBondContact CD1-O 3.18Å
91	S	89.8	Confident	96.2	Very high	75 Å²	75	44.9 Å²	44.9	52%	0.524	24%	0.243	S	C	.	.	G	3₁₀ helix	trans	-68.6	-25	178.3	74.9	0	0	0	0	112.4	D89	D89-S91 VanDerWaalsContact C-N 3.27Å; D89-S91 PolarHBondContact O-N 3.3Å; D89-S91 WeakPolarHBondContact OD1-CA 3.42Å; D89-S91 WeakPolarHBondContact OD1-CB 3.47Å; D89-S91 PolarHBondContact OD1-N 3.05Å; D89-S91 PolarHBondContact OD1-OG 3.16Å; D89-S91 PolarHBondContact OD2-OG 3.01Å
92	Q	90.1	Very high	96.3	Very high	112 Å²	112	43.8 Å²	43.8	52%	0.523	23%	0.229	S	C	.	.	G	3₁₀ helix	trans	-108.3	1	178.9	-61.1	-171.7	-14.3	0	0	113.2	D89 L90 R94 L513	D89-Q92 HydrophobicContact CB-CB 4.43Å; D89-Q92 PolarHBondContact O-N 3.44Å; L90-Q92 PolarHBondContact O-N 2.99Å; Q92-R94 HydrophobicContact CB-CB 4.27Å; Q92-R94 PolarHBondContact O-N 2.86Å; Q92-R94 VanDerWaalsContact O-N 3.1Å; Q92-L513 WeakPolarHBondContact O-CD2 3.27Å
93	G	90.3	Very high	96.3	Very high	1 Å²	1	43.3 Å²	43.3	1%	0.01	23%	0.227	C	C	.	.	T	Hydrogen-bonded Turn	trans	55	24.8	-171.8	0	0	0	0	0	113.8	D89 L90 H509	D89-G93 PolarHBondContact O-N 2.83Å; L90-G93 PolarHBondContact O-N 2.88Å; G93-H509 PolarHBondContact O-CE1 3.48Å
94	R	94.5	Very high	96.4	Very high	96 Å²	96	36.7 Å²	36.7	36%	0.362	20%	0.197	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.3	109.9	-179.3	-174.5	172.6	72	94.8	13.8	107.7	D87 C88 D89 Q92	D87-R94 IonicContact OD1-CZ 3.17Å; D87-R94 IonicContact OD1-NH1 3.03Å; D87-R94 PolarHBondContact OD1-NH1 2.78Å; D87-R94 IonicContact OD1-NH2 2.66Å; D87-R94 PolarHBondContact OD1-NH2 3.22Å; D87-R94 IonicContact OD2-CZ 3.88Å; D87-R94 IonicContact OD2-NH1 3.61Å; D87-R94 PolarHBondContact OD2-NH1 3.26Å; C88-R94 CarbonylContact C-O 3.25Å; C88-R94 WeakPolarHBondContact CA-O 3.5Å; D89-R94 HydrophobicContact CB-CB 4.44Å; D89-R94 PolarHBondContact N-O 2.79Å; D89-R94 PolarHBondContact O-N 2.85Å; Q92-R94 HydrophobicContact CB-CB 4.27Å; Q92-R94 PolarHBondContact O-N 2.86Å; Q92-R94 VanDerWaalsContact O-N 3.1Å
95	I	97.3	Very high	96.4	Very high	9 Å²	9	34.9 Å²	34.9	5%	0.046	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.2	117.4	-172.4	-50.7	-63.5	0	0	0	109.2	C88 L90 P497 M501 R503	C88-I95 HydrophobicContact CB-CD1 4.34Å; L90-I95 HydrophobicContact CD2-CD1 3.82Å; I95-P497 HydrophobicContact CD1-CB 4.15Å; I95-M501 HydrophobicContact CB-SD 4.3Å; I95-M501 HydrophobicContact CD1-CE 3.67Å; I95-M501 HydrophobicContact CD1-SD 3.8Å; I95-M501 HydrophobicContact CG1-CE 3.65Å; I95-M501 HydrophobicContact CG1-SD 3.92Å; I95-M501 HydrophobicContact CG2-CE 4.3Å; I95-M501 HydrophobicContact CG2-CG 3.63Å; I95-M501 HydrophobicContact CG2-SD 3.46Å; I95-M501 WeakPolarHBondContact CG2-SD 3.36Å; I95-R503 WeakPolarHBondContact O-CD 3.31Å; I95-R503 PolarHBondContact O-NE 3.49Å
96	K	98.3	Very high	96.5	Very high	73 Å²	73	34 Å²	34	32%	0.317	18%	0.176	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.4	141.9	174.9	-58.4	-175.2	-177.6	172.5	0	111.4	Q86 D87 C88 E99 E281	Q86-K96 WeakPolarHBondContact CA-O 3.49Å; D87-K96 HydrophobicContact CB-CB 4.28Å; D87-K96 PolarHBondContact N-O 3.39Å; D87-K96 PolarHBondContact O-N 3.14Å; D87-K96 VanDerWaalsContact O-N 3.13Å; C88-K96 PolarHBondContact SG-N 3.43Å; C88-K96 PolarHBondContact SG-O 3.14Å; K96-E99 HydrophobicContact CB-CG 4.09Å; K96-E99 VanDerWaalsContact CD-CD 3.41Å; K96-E99 HydrophobicContact CD-CG 4.08Å; K96-E99 WeakPolarHBondContact CD-OE1 3.3Å; K96-E99 WeakPolarHBondContact CE-OE1 3.43Å; K96-E99 IonicContact NZ-OE1 3.97Å; K96-E99 PolarHBondContact NZ-OE1 2.92Å; K96-E281 HydrophobicContact CB-CG 4.1Å; K96-E281 HydrophobicContact CG-CG 4.31Å
97	W	98.7	Very high	96.6	Very high	0 Å²	0	33 Å²	33	0%	0	17%	0.174	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.5	139.5	-178.9	-70.8	85.7	0	0	0	110.6	W68 V85 Q86 E99 S280 E281 P497 W498 P499	W68-W97 HydrophobicContact CB-CE3 4.48Å; W68-W97 HydrophobicContact CB-CZ3 3.87Å; W68-W97 AromaticContact CD1-CH2 3.5Å; W68-W97 VanDerWaalsContact CD1-CH2 3.5Å; W68-W97 AromaticContact CD1-CZ3 3.36Å; W68-W97 HydrophobicContact CG-CE3 4.5Å; W68-W97 HydrophobicContact CG-CH2 4.21Å; W68-W97 AromaticContact CG-CZ3 3.67Å; W68-W97 HydrophobicContact CG-CZ3 3.67Å; W68-W97 AromaticContact NE1-CH2 3.85Å; V85-W97 HydrophobicContact CG1-CE3 4.33Å; V85-W97 HydrophobicContact CG1-CZ3 4.19Å; V85-W97 CarbonylContact O-C 3.52Å; V85-W97 VanDerWaalsContact O-CA 3.29Å; V85-W97 WeakPolarHBondContact O-CA 3.4Å; V85-W97 VanDerWaalsContact O-CE3 3.29Å; Q86-W97 HydrophobicContact CB-CD2 4.28Å; Q86-W97 HydrophobicContact CB-CE3 3.96Å; Q86-W97 HydrophobicContact CB-CH2 4.1Å; Q86-W97 HydrophobicContact CB-CZ2 4.4Å; Q86-W97 HydrophobicContact CB-CZ3 3.86Å; W97-E99 PolarHBondContact O-N 2.84Å; W97-S280 WeakPolarHBondContact O-CB 3.44Å; W97-S280 PolarHBondContact O-OG 3.39Å; W97-E281 PolarHBondContact N-OE1 3.03Å; W97-P497 HydrophobicContact CZ2-CB 4.18Å; W97-P497 HydrophobicContact CZ2-CG 4.29Å; W97-W498 PolarHBondContact NE1-O 3.41Å; W97-P499 HydrophobicContact CD2-CB 4.11Å; W97-P499 HydrophobicContact CD2-CG 3.9Å; W97-P499 HydrophobicContact CE3-CB 4.38Å; W97-P499 HydrophobicContact CE3-CG 3.78Å; W97-P499 HydrophobicContact CG-CB 4.27Å; W97-P499 HydrophobicContact CH2-CG 4.19Å; W97-P499 HydrophobicContact CZ2-CG 4.31Å; W97-P499 HydrophobicContact CZ3-CG 3.93Å
98	F	98.7	Very high	96.7	Very high	0 Å²	0	30.9 Å²	30.9	0%	0	16%	0.162	C	C	.	.	E	Extended strand (participates in β ladder)	trans	58	43.4	174.6	-41.3	-64.8	0	0	0	113.7	W68 A72 W78 F82 A84 V85 G101 S280 A304 L308 P499	W68-F98 HydrophobicContact CB-CE1 4.21Å; W68-F98 HydrophobicContact CB-CZ 4.24Å; A72-F98 HydrophobicContact CB-CD1 3.9Å; A72-F98 HydrophobicContact CB-CE1 3.41Å; A72-F98 VanDerWaalsContact CB-CE1 3.41Å; A72-F98 HydrophobicContact CB-CE2 4.43Å; A72-F98 HydrophobicContact CB-CZ 3.73Å; W78-F98 HydrophobicContact CH2-CB 3.49Å; W78-F98 VanDerWaalsContact CH2-CB 3.49Å; W78-F98 HydrophobicContact CH2-CD2 4.24Å; W78-F98 AromaticContact CH2-CG 3.9Å; W78-F98 HydrophobicContact CH2-CG 3.9Å; W78-F98 HydrophobicContact CZ2-CB 4.28Å; W78-F98 HydrophobicContact CZ2-CG 4.29Å; W78-F98 HydrophobicContact CZ3-CB 4.2Å; F82-F98 HydrophobicContact CB-CB 3.77Å; F82-F98 WeakPolarHBondContact CB-O 3.28Å; F82-F98 HydrophobicContact CD1-CB 3.91Å; F82-F98 AromaticContact CD1-CD1 3.92Å; F82-F98 HydrophobicContact CD1-CD1 3.92Å; F82-F98 HydrophobicContact CD1-CG 4.24Å; F82-F98 HydrophobicContact CD2-CD1 4.19Å; F82-F98 AromaticContact CE1-CD1 3.89Å; F82-F98 HydrophobicContact CE1-CD1 3.89Å; F82-F98 HydrophobicContact CE2-CD1 4.17Å; F82-F98 HydrophobicContact CG-CB 3.8Å; F82-F98 HydrophobicContact CG-CD1 4.08Å; F82-F98 HydrophobicContact CG-CG 4.41Å; F82-F98 HydrophobicContact CZ-CD1 4.01Å; F82-F98 HydrophobicContact CZ-CE1 4.48Å; A84-F98 CarbonylContact O-C 3.51Å; A84-F98 VanDerWaalsContact O-C 3.31Å; A84-F98 WeakPolarHBondContact O-CA 3.5Å; A84-F98 PolarHBondContact O-N 3.48Å; V85-F98 HydrophobicContact CG1-CD1 4.39Å; V85-F98 HydrophobicContact CG1-CE1 4.03Å; V85-F98 PolarHBondContact O-N 2.71Å; F98-G101 PolarHBondContact O-N 2.79Å; F98-G101 VanDerWaalsContact O-N 3.1Å; F98-S280 VanDerWaalsContact O-CB 3.25Å; F98-S280 WeakPolarHBondContact O-CB 3.35Å; F98-A304 HydrophobicContact CD2-CB 4.03Å; F98-L308 HydrophobicContact CE1-CD2 4.47Å; F98-L308 HydrophobicContact CE2-CD2 3.8Å; F98-L308 HydrophobicContact CZ-CD2 3.49Å; F98-L308 VanDerWaalsContact CZ-CD2 3.49Å; F98-P499 HydrophobicContact CE2-CB 4.16Å; F98-P499 HydrophobicContact CE2-CG 4.49Å; F98-P499 HydrophobicContact CZ-CB 4.46Å; F98-P499 HydrophobicContact CZ-CG 4.31Å
99	E	98.3	Very high	96.8	Very high	58 Å²	58	29.2 Å²	29.2	27%	0.271	15%	0.151	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-60.7	145.4	178.4	-74.8	-171.7	111.5	0	0	112.1	E83 A84 D87 K96 W97 G101	E83-E99 PolarHBondContact N-O 3.27Å; A84-E99 HydrophobicContact CB-CB 4.36Å; A84-E99 PolarHBondContact N-O 2.88Å; A84-E99 PolarHBondContact O-N 3.01Å; D87-E99 VanDerWaalsContact CB-OE2 3.25Å; D87-E99 WeakPolarHBondContact CB-OE2 3.37Å; K96-E99 HydrophobicContact CB-CG 4.09Å; K96-E99 VanDerWaalsContact CD-CD 3.41Å; K96-E99 HydrophobicContact CD-CG 4.08Å; K96-E99 WeakPolarHBondContact CD-OE1 3.3Å; K96-E99 WeakPolarHBondContact CE-OE1 3.43Å; K96-E99 IonicContact NZ-OE1 3.97Å; K96-E99 PolarHBondContact NZ-OE1 2.92Å; W97-E99 PolarHBondContact O-N 2.84Å; E99-G101 PolarHBondContact O-N 3.43Å
100	G	97.9	Very high	97	Very high	29 Å²	29	26.9 Å²	26.9	30%	0.299	14%	0.139	S	C	.	.	T	Hydrogen-bonded Turn	trans	78.7	-15	-170.5	0	0	0	0	0	114
101	G	98.6	Very high	97.2	Very high	0 Å²	0	28.2 Å²	28.2	0%	0	15%	0.145	C	C	.	.			trans	-76.2	134.6	179	0	0	0	0	0	112	R80 F98 E99 S280	R80-G101 CarbonylContact O-C 3.6Å; R80-G101 WeakPolarHBondContact O-CA 3.35Å; F98-G101 PolarHBondContact O-N 2.79Å; F98-G101 VanDerWaalsContact O-N 3.1Å; E99-G101 PolarHBondContact O-N 3.43Å; G101-S280 PolarHBondContact O-N 3.27Å
102	K	98.8	Very high	97.5	Very high	65 Å²	65	26.9 Å²	26.9	28%	0.283	13%	0.129	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.4	136.1	172.9	-60.2	-167	173	-153.9	0	111.4	W78 I79 R80 A277 M278 D279	W78-K102 CarbonylContact C-O 3.57Å; I79-K102 WeakPolarHBondContact CA-O 3.47Å; I79-K102 HydrophobicContact CB-CB 4.36Å; I79-K102 PolarHBondContact N-O 2.99Å; R80-K102 HydrophobicContact CB-CB 3.95Å; R80-K102 HydrophobicContact CB-CG 4.23Å; R80-K102 PolarHBondContact N-O 2.89Å; R80-K102 VanDerWaalsContact N-O 3.09Å; R80-K102 PolarHBondContact O-N 2.85Å; K102-A277 HydrophobicContact CD-CB 4.42Å; K102-M278 CarbonylContact C-O 3.57Å; K102-M278 WeakPolarHBondContact CA-O 3.21Å; K102-D279 WeakPolarHBondContact CE-OD1 3.31Å; K102-D279 IonicContact NZ-OD1 3.82Å
103	L	98.9	Very high	97.9	Very high	0 Å²	0	22.6 Å²	22.6	0%	0	11%	0.109	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-150.3	-179.9	178.3	75.3	167.5	0	0	0	110.6	L76 W78 M278 Q303 A304	L76-L103 HydrophobicContact CD1-CD1 4.12Å; W78-L103 HydrophobicContact CE3-CB 4.31Å; W78-L103 HydrophobicContact CZ3-CD2 4.1Å; L103-M278 PolarHBondContact N-O 3.04Å; L103-M278 WeakPolarHBondContact O-CB 3.44Å; L103-M278 PolarHBondContact O-N 3.11Å; L103-Q303 HydrophobicContact CD2-CB 3.96Å; L103-A304 HydrophobicContact CD1-CB 3.74Å; L103-A304 HydrophobicContact CD2-CB 3.72Å; L103-A304 HydrophobicContact CG-CB 4.41Å
104	N	98.8	Very high	98.3	Very high	1 Å²	1	24 Å²	24	1%	0.005	12%	0.118	C	C	.	.			trans	-135.6	129.6	163.2	-172.4	-77.5	0	0	0	108.9	I79 S106 V107 N108 A181 R182 P275 A276	I79-N104 HydrophobicContact CD1-CB 4.48Å; N104-S106 WeakPolarHBondContact OD1-CA 3.2Å; N104-S106 VanDerWaalsContact OD1-CB 3.28Å; N104-S106 WeakPolarHBondContact OD1-CB 3.46Å; N104-S106 PolarHBondContact OD1-N 2.97Å; N104-V107 HydrophobicContact CB-CB 4.11Å; N104-V107 HydrophobicContact CB-CG2 3.83Å; N104-V107 PolarHBondContact O-N 2.95Å; N104-V107 PolarHBondContact OD1-N 3.27Å; N104-N108 PolarHBondContact O-N 2.67Å; N104-N108 PolarHBondContact O-ND2 3.42Å; N104-A181 PolarHBondContact ND2-O 3.26Å; N104-R182 PolarHBondContact ND2-O 2.91Å; N104-R182 VanDerWaalsContact ND2-O 3.08Å; N104-P275 HydrophobicContact CB-CB 4.18Å; N104-A276 PolarHBondContact ND2-O 2.81Å
105	V	98.9	Very high	98.4	Very high	0 Å²	0	27.4 Å²	27.4	0%	0	14%	0.137	C	C	.	.	H	α-helix	trans	-66.1	-40.7	-178	165.2	0	0	0	0	111.4	V107 N108 C109 A181 L284 Q303 L307 Y343	V105-V107 VanDerWaalsContact C-N 3.32Å; V105-V107 PolarHBondContact O-N 3.43Å; V105-N108 PolarHBondContact O-N 3.07Å; V105-C109 PolarHBondContact O-N 3.28Å; V105-C109 PolarHBondContact O-SG 3.08Å; V105-A181 HydrophobicContact CB-CB 4.27Å; V105-A181 HydrophobicContact CG1-CB 4.4Å; V105-L284 HydrophobicContact CB-CD1 4.05Å; V105-L284 HydrophobicContact CG1-CD1 4.14Å; V105-L284 HydrophobicContact CG1-CD2 4.36Å; V105-L284 HydrophobicContact CG2-CD1 4.01Å; V105-L284 HydrophobicContact CG2-CD2 4.19Å; V105-Q303 HydrophobicContact CG2-CB 4.16Å; V105-L307 HydrophobicContact CB-CD2 4.32Å; V105-L307 HydrophobicContact CG1-CD1 4.15Å; V105-L307 HydrophobicContact CG1-CD2 4.21Å; V105-L307 HydrophobicContact CG2-CB 4.3Å; V105-L307 HydrophobicContact CG2-CD2 3.99Å; V105-Y343 HydrophobicContact CG1-CD1 3.75Å; V105-Y343 HydrophobicContact CG1-CE1 3.56Å
106	S	98.8	Very high	98.3	Very high	0 Å²	0	31.4 Å²	31.4	0%	0	16%	0.162	C	C	.	.	H	α-helix	trans	-60.1	-41.1	176.6	168.5	0	0	0	0	111.8	N104 N108 C109 L110 L178 R182	N104-S106 WeakPolarHBondContact OD1-CA 3.2Å; N104-S106 VanDerWaalsContact OD1-CB 3.28Å; N104-S106 WeakPolarHBondContact OD1-CB 3.46Å; N104-S106 PolarHBondContact OD1-N 2.97Å; S106-N108 VanDerWaalsContact C-N 3.33Å; S106-N108 PolarHBondContact O-N 2.84Å; S106-C109 CarbonylContact O-C 3.35Å; S106-C109 PolarHBondContact O-N 3.17Å; S106-C109 VanDerWaalsContact O-N 3.15Å; S106-L110 WeakPolarHBondContact O-CB 3.36Å; S106-L110 PolarHBondContact O-N 3.5Å; S106-L178 WeakPolarHBondContact CB-O 3.42Å; S106-R182 PolarHBondContact OG-NH1 2.66Å
107	V	98.8	Very high	98.1	Very high	32 Å²	32	29.9 Å²	29.9	19%	0.194	16%	0.16	C	C	.	.	H	α-helix	trans	-62.2	-39.1	176.9	171.4	0	0	0	0	112.4	N104 V105 C109 D111 R112 P275	N104-V107 HydrophobicContact CB-CB 4.11Å; N104-V107 HydrophobicContact CB-CG2 3.83Å; N104-V107 PolarHBondContact O-N 2.95Å; N104-V107 PolarHBondContact OD1-N 3.27Å; V105-V107 VanDerWaalsContact C-N 3.32Å; V105-V107 PolarHBondContact O-N 3.43Å; V107-C109 VanDerWaalsContact C-N 3.32Å; V107-D111 WeakPolarHBondContact CA-OD2 3.39Å; V107-D111 HydrophobicContact CB-CB 4.44Å; V107-D111 HydrophobicContact CG1-CB 4.17Å; V107-D111 HydrophobicContact CG2-CB 4.48Å; V107-D111 PolarHBondContact O-N 3.12Å; V107-R112 PolarHBondContact O-N 3.4Å; V107-P275 HydrophobicContact CG2-CB 3.6Å; V107-P275 HydrophobicContact CG2-CG 3.68Å
108	N	98.8	Very high	98.1	Very high	0 Å²	0	31.5 Å²	31.5	0%	0	17%	0.17	C	C	.	.	H	α-helix	trans	-72.1	-27.2	177	-82.4	-87	0	0	0	112.9	L76 N77 N104 V105 S106 R112 H113 L307	L76-N108 WeakPolarHBondContact CA-OD1 3.29Å; N77-N108 PolarHBondContact N-OD1 2.9Å; N77-N108 PolarHBondContact O-ND2 2.94Å; N77-N108 VanDerWaalsContact O-ND2 3.08Å; N104-N108 PolarHBondContact O-N 2.67Å; N104-N108 PolarHBondContact O-ND2 3.42Å; V105-N108 PolarHBondContact O-N 3.07Å; S106-N108 VanDerWaalsContact C-N 3.33Å; S106-N108 PolarHBondContact O-N 2.84Å; N108-R112 PolarHBondContact O-NE 3.07Å; N108-R112 PolarHBondContact OD1-NH1 3.39Å; N108-H113 PolarHBondContact O-NE2 2.94Å; N108-L307 HydrophobicContact CB-CD2 3.57Å
109	C	98.9	Very high	98.1	Very high	0 Å²	0	36.9 Å²	36.9	0%	0	20%	0.196	C	C	.	.	H	α-helix	trans	-91.1	-20.8	177.9	-69.4	0	0	0	0	113.8	V105 S106 V107 H113 Y138 L178 L346	V105-C109 PolarHBondContact O-N 3.28Å; V105-C109 PolarHBondContact O-SG 3.08Å; S106-C109 CarbonylContact O-C 3.35Å; S106-C109 PolarHBondContact O-N 3.17Å; S106-C109 VanDerWaalsContact O-N 3.15Å; V107-C109 VanDerWaalsContact C-N 3.32Å; C109-H113 PolarHBondContact O-CD2 3.3Å; C109-Y138 VanDerWaalsContact O-CE1 3.31Å; C109-Y138 WeakPolarHBondContact O-CE1 3.46Å; C109-L178 HydrophobicContact CB-CD2 4.02Å; C109-L346 HydrophobicContact CB-CB 3.93Å
110	L	98.9	Very high	98.1	Very high	0 Å²	0	37.6 Å²	37.6	0%	0	20%	0.196	C	C	.	.	T	Hydrogen-bonded Turn	trans	-131.3	-73	-172.3	-59.2	177.3	0	0	0	112.5	S106 R112 H113 V114 Y138 L141 L142 T145 L178	S106-L110 WeakPolarHBondContact O-CB 3.36Å; S106-L110 PolarHBondContact O-N 3.5Å; L110-R112 VanDerWaalsContact C-N 3.3Å; L110-R112 PolarHBondContact O-N 3.43Å; L110-R112 VanDerWaalsContact O-N 3.16Å; L110-H113 WeakPolarHBondContact O-CA 3.47Å; L110-H113 WeakPolarHBondContact O-CB 3.18Å; L110-H113 PolarHBondContact O-N 3.18Å; L110-V114 PolarHBondContact O-N 2.97Å; L110-Y138 HydrophobicContact CD2-CD1 4.23Å; L110-L141 HydrophobicContact CD2-CB 4.27Å; L110-L141 HydrophobicContact CD2-CD2 3.51Å; L110-L141 HydrophobicContact CD2-CG 3.7Å; L110-L142 HydrophobicContact CB-CB 4.42Å; L110-L142 HydrophobicContact CB-CD1 4.03Å; L110-L142 HydrophobicContact CD1-CB 4.48Å; L110-L142 HydrophobicContact CD1-CD1 4.07Å; L110-T145 HydrophobicContact CD1-CG2 3.91Å; L110-L178 HydrophobicContact CD1-CB 4.41Å; L110-L178 HydrophobicContact CD1-CD1 3.89Å; L110-L178 HydrophobicContact CD2-CD1 4.04Å; L110-L178 HydrophobicContact CG-CD1 4.1Å
111	D	98.7	Very high	98.1	Very high	41 Å²	41	38 Å²	38	22%	0.219	19%	0.192	C	C	.	.	H	α-helix	trans	-55.4	-42	-165	-55.8	-129.3	0	0	0	112.7	V107 H113 V114 H115 L142 R182	V107-D111 WeakPolarHBondContact CA-OD2 3.39Å; V107-D111 HydrophobicContact CB-CB 4.44Å; V107-D111 HydrophobicContact CG1-CB 4.17Å; V107-D111 HydrophobicContact CG2-CB 4.48Å; V107-D111 PolarHBondContact O-N 3.12Å; D111-H113 PolarHBondContact O-N 3.07Å; D111-V114 PolarHBondContact O-N 3.4Å; D111-H115 PolarHBondContact O-N 3.2Å; D111-L142 WeakPolarHBondContact OD2-CD1 3.12Å; D111-R182 IonicContact OD1-CZ 2.76Å; D111-R182 IonicContact OD1-NH1 2.79Å; D111-R182 PolarHBondContact OD1-NH1 2.71Å; D111-R182 IonicContact OD1-NH2 3.16Å; D111-R182 PolarHBondContact OD1-NH2 3.37Å; D111-R182 IonicContact OD2-CZ 2.69Å; D111-R182 IonicContact OD2-NH1 2.83Å; D111-R182 PolarHBondContact OD2-NH1 2.83Å; D111-R182 IonicContact OD2-NH2 3.77Å
112	R	97.4	Very high	98.1	Very high	48 Å²	48	38 Å²	38	18%	0.181	19%	0.192	C	C	.	.	H	α-helix	trans	-65	-28.5	179.1	74.5	175.9	179.8	173.4	-1.4	113.7	R75 N77 V107 N108 L110 A347	R75-R112 PolarHBondContact O-NH1 2.84Å; R75-R112 PolarHBondContact O-NH2 2.82Å; N77-R112 WeakPolarHBondContact ND2-CB 3.38Å; N77-R112 PolarHBondContact OD1-NH1 3.03Å; N77-R112 VanDerWaalsContact OD1-NH1 3.12Å; V107-R112 PolarHBondContact O-N 3.4Å; N108-R112 PolarHBondContact O-NE 3.07Å; N108-R112 PolarHBondContact OD1-NH1 3.39Å; L110-R112 VanDerWaalsContact C-N 3.3Å; L110-R112 PolarHBondContact O-N 3.43Å; L110-R112 VanDerWaalsContact O-N 3.16Å; R112-A347 PolarHBondContact NH2-O 3.33Å
113	H	98.1	Very high	98.1	Very high	22 Å²	22	34.9 Å²	34.9	10%	0.102	18%	0.179	C	C	.	.	H	α-helix	trans	-86.6	-32.9	177.9	-55.5	-53.7	0	0	0	111.1	N108 C109 L110 D111 H115 T116 C117 Y138 L346 A347 G349	N108-H113 PolarHBondContact O-NE2 2.94Å; C109-H113 PolarHBondContact O-CD2 3.3Å; L110-H113 WeakPolarHBondContact O-CA 3.47Å; L110-H113 WeakPolarHBondContact O-CB 3.18Å; L110-H113 PolarHBondContact O-N 3.18Å; D111-H113 PolarHBondContact O-N 3.07Å; H113-H115 PolarHBondContact O-N 3.04Å; H113-T116 PolarHBondContact O-N 3.15Å; H113-T116 PolarHBondContact O-OG1 2.83Å; H113-C117 CarbonylContact O-C 3.46Å; H113-C117 WeakPolarHBondContact O-CA 3.47Å; H113-C117 PolarHBondContact O-N 3.29Å; H113-Y138 HydrophobicContact CB-CD1 3.76Å; H113-Y138 HydrophobicContact CB-CE1 3.9Å; H113-Y138 HydrophobicContact CB-CG 4.14Å; H113-Y138 AromaticContact CD2-CE1 3.72Å; H113-L346 PolarHBondContact CD2-O 2.7Å; H113-L346 VanDerWaalsContact CD2-O 3.25Å; H113-L346 PolarHBondContact NE2-O 3.35Å; H113-A347 PolarHBondContact CE1-O 3.5Å; H113-A347 PolarHBondContact NE2-O 2.98Å; H113-A347 VanDerWaalsContact NE2-O 3.13Å; H113-G349 WeakPolarHBondContact CE1-CA 3.5Å; H113-G349 PolarHBondContact CE1-N 3.46Å; H113-G349 VanDerWaalsContact CE1-N 3.34Å; H113-G349 WeakPolarHBondContact NE2-CA 3.49Å; H113-G349 PolarHBondContact NE2-N 3.23Å
114	V	98.1	Very high	98.1	Very high	31 Å²	31	35.2 Å²	35.2	19%	0.188	18%	0.181	C	C	.	.	H	α-helix	trans	-60.9	-35	169.9	174.2	0	0	0	0	111	L110 D111 T116 P118 Y138 L142	L110-V114 PolarHBondContact O-N 2.97Å; D111-V114 PolarHBondContact O-N 3.4Å; V114-T116 VanDerWaalsContact C-N 3.28Å; V114-T116 PolarHBondContact O-N 3.4Å; V114-P118 HydrophobicContact CG1-CB 4.09Å; V114-P118 WeakPolarHBondContact O-CB 3.13Å; V114-P118 VanDerWaalsContact O-CD 3.27Å; V114-P118 WeakPolarHBondContact O-CD 3.44Å; V114-Y138 WeakPolarHBondContact CG2-O 3.49Å; V114-L142 HydrophobicContact CB-CD2 4.15Å; V114-L142 HydrophobicContact CG1-CD2 4.15Å; V114-L142 HydrophobicContact CG2-CB 4.09Å; V114-L142 HydrophobicContact CG2-CD2 3.81Å
115	H	96.5	Very high	98.1	Very high	166 Å²	166	36.5 Å²	36.5	77%	0.769	19%	0.185	S	C	*	.	T	Hydrogen-bonded Turn	trans	-62.6	-32.6	176.6	-173	66.4	0	0	0	113.5	D111 H113	D111-H115 PolarHBondContact O-N 3.2Å; H113-H115 PolarHBondContact O-N 3.04Å
116	T	95.1	Very high	98.1	Very high	94 Å²	94	36.5 Å²	36.5	58%	0.577	19%	0.185	S	C	*	.	T	Hydrogen-bonded Turn	trans	-106.1	-34.1	-174	56.6	0	0	0	0	113.6	H113 V114	H113-T116 PolarHBondContact O-N 3.15Å; H113-T116 PolarHBondContact O-OG1 2.83Å; V114-T116 VanDerWaalsContact C-N 3.28Å; V114-T116 PolarHBondContact O-N 3.4Å
117	C	95.3	Very high	98	Very high	41 Å²	41	40 Å²	40	28%	0.277	20%	0.198	S	C	.	.			trans	-148.3	62	-171.7	-72.8	0	0	0	0	111.3	H113 E119 R120	H113-C117 CarbonylContact O-C 3.46Å; H113-C117 WeakPolarHBondContact O-CA 3.47Å; H113-C117 PolarHBondContact O-N 3.29Å; C117-E119 VanDerWaalsContact C-N 3.28Å; C117-E119 PolarHBondContact O-N 3.08Å; C117-R120 HydrophobicContact CB-CB 3.99Å; C117-R120 WeakPolarHBondContact O-CB 3.41Å; C117-R120 PolarHBondContact O-N 2.96Å; C117-R120 VanDerWaalsContact O-N 3.1Å; C117-R120 PolarHBondContact SG-NH2 3.29Å
118	P	97.4	Very high	97.9	Very high	33 Å²	33	38.4 Å²	38.4	21%	0.214	19%	0.189	C	C	.	.	T	Hydrogen-bonded Turn	trans	-60.4	-35	-173.3	23.8	-32.6	0	0	0	113.8	V114 R120 T137 Y138 R139	V114-P118 HydrophobicContact CG1-CB 4.09Å; V114-P118 WeakPolarHBondContact O-CB 3.13Å; V114-P118 VanDerWaalsContact O-CD 3.27Å; V114-P118 WeakPolarHBondContact O-CD 3.44Å; P118-R120 VanDerWaalsContact C-N 3.33Å; P118-T137 WeakPolarHBondContact O-CB 3.36Å; P118-Y138 PolarHBondContact O-N 2.91Å; P118-R139 HydrophobicContact CB-CB 4.26Å; P118-R139 PolarHBondContact O-N 3.22Å
119	E	98.3	Very high	97.6	Very high	113 Å²	113	42.1 Å²	42.1	53%	0.528	21%	0.206	S	C	.	.	T	Hydrogen-bonded Turn	trans	-87	-0.2	-177.8	-52.1	-49.3	128.2	0	0	113.4	C117 V121 R139	C117-E119 VanDerWaalsContact C-N 3.28Å; C117-E119 PolarHBondContact O-N 3.08Å; E119-V121 PolarHBondContact O-N 2.64Å; E119-R139 IonicContact OE1-CZ 3.07Å; E119-R139 IonicContact OE1-NE 3.42Å; E119-R139 PolarHBondContact OE1-NE 3.09Å; E119-R139 IonicContact OE1-NH2 3.91Å; E119-R139 PolarHBondContact OE1-NH2 2.86Å
120	R	98.3	Very high	97.3	Very high	74 Å²	74	47.4 Å²	47.4	28%	0.279	23%	0.226	S	C	.	.	S	Bend	trans	-65.1	135.4	173.3	-179.6	-176.2	-62.4	-176.7	0.7	108.4	C117 P118 A122 T137 Y138 G349	C117-R120 HydrophobicContact CB-CB 3.99Å; C117-R120 WeakPolarHBondContact O-CB 3.41Å; C117-R120 PolarHBondContact O-N 2.96Å; C117-R120 VanDerWaalsContact O-N 3.1Å; C117-R120 PolarHBondContact SG-NH2 3.29Å; P118-R120 VanDerWaalsContact C-N 3.33Å; R120-A122 PolarHBondContact O-N 2.84Å; R120-T137 CarbonylContact O-C 3.56Å; R120-T137 VanDerWaalsContact O-CA 3.23Å; R120-T137 WeakPolarHBondContact O-CA 3.35Å; R120-Y138 HydrophobicContact CB-CD2 4.03Å; R120-Y138 HydrophobicContact CB-CE2 4.49Å; R120-Y138 HydrophobicContact CG-CD2 4.23Å; R120-Y138 HydrophobicContact CG-CE2 4.2Å; R120-Y138 WeakPolarHBondContact O-CD2 3.26Å; R120-Y138 PolarHBondContact O-N 2.78Å; R120-G349 VanDerWaalsContact CD-O 3.25Å; R120-G349 WeakPolarHBondContact CD-O 3.41Å; R120-G349 PolarHBondContact NH1-O 3.14Å
121	V	98.8	Very high	97	Very high	37 Å²	37	49.6 Å²	49.6	22%	0.224	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-65.4	120.8	173.8	-178.3	0	0	0	0	108.8	E119 L123 I124 R135 T351	E119-V121 PolarHBondContact O-N 2.64Å; V121-L123 WeakPolarHBondContact CG1-O 3.46Å; V121-I124 HydrophobicContact CG1-CG1 3.84Å; V121-R135 HydrophobicContact CG1-CB 4.03Å; V121-R135 HydrophobicContact CG1-CG 4.29Å; V121-R135 HydrophobicContact CG2-CB 4.36Å; V121-T351 HydrophobicContact CB-CG2 4.21Å; V121-T351 HydrophobicContact CG1-CG2 3.95Å; V121-T351 PolarHBondContact O-OG1 2.76Å
122	A	98.8	Very high	96.8	Very high	0 Å²	0	49.4 Å²	49.4	0%	0	25%	0.25	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-87	-48.2	172.6	0	0	0	0	0	110.4	R120 Y136 Y138 L141 L346 T352	R120-A122 PolarHBondContact O-N 2.84Å; A122-Y136 PolarHBondContact N-O 2.85Å; A122-Y138 HydrophobicContact CB-CD1 4.03Å; A122-Y138 HydrophobicContact CB-CD2 3.71Å; A122-Y138 HydrophobicContact CB-CE1 4.03Å; A122-Y138 HydrophobicContact CB-CE2 3.68Å; A122-Y138 HydrophobicContact CB-CG 3.86Å; A122-L141 HydrophobicContact CB-CD2 3.99Å; A122-L346 HydrophobicContact CB-CD2 4.02Å; A122-T352 PolarHBondContact O-N 2.81Å
123	L	98.9	Very high	96.8	Very high	0 Å²	0	49 Å²	49	0%	0	25%	0.25	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.5	135.5	-174.9	-51.8	173.3	0	0	0	110.8	V121 R135 Y136 L141 P171 V174 L346 T352 L354	V121-L123 WeakPolarHBondContact CG1-O 3.46Å; L123-R135 WeakPolarHBondContact O-CA 3.34Å; L123-Y136 PolarHBondContact N-O 2.94Å; L123-Y136 VanDerWaalsContact N-O 3.1Å; L123-Y136 PolarHBondContact O-N 3.45Å; L123-L141 HydrophobicContact CD1-CD1 3.77Å; L123-L141 HydrophobicContact CD1-CD2 3.78Å; L123-L141 HydrophobicContact CD1-CG 4.34Å; L123-L141 HydrophobicContact CD2-CD2 4.38Å; L123-L141 HydrophobicContact CG-CD2 3.93Å; L123-P171 HydrophobicContact CD1-CB 4.21Å; L123-V174 HydrophobicContact CD1-CB 4.26Å; L123-V174 HydrophobicContact CD1-CG1 4.22Å; L123-V174 HydrophobicContact CD2-CG1 4.33Å; L123-L346 HydrophobicContact CD2-CD2 4.27Å; L123-T352 WeakPolarHBondContact CA-O 3.2Å; L123-T352 HydrophobicContact CD2-CG2 3.58Å; L123-L354 HydrophobicContact CB-CD1 4.38Å; L123-L354 HydrophobicContact CD1-CD1 4.08Å; L123-L354 HydrophobicContact CD2-CD1 4.32Å; L123-L354 HydrophobicContact CD2-CD2 4.31Å; L123-L354 HydrophobicContact CD2-CG 4.35Å; L123-L354 HydrophobicContact CG-CD1 4.5Å
124	I	98.8	Very high	96.8	Very high	7 Å²	7	50.2 Å²	50.2	4%	0.036	26%	0.26	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.7	107.8	162.2	-53.1	175.1	0	0	0	107.4	V121 E126 E133 R135 V325 T351 T352 V353 L354 L374	V121-I124 HydrophobicContact CG1-CG1 3.84Å; I124-E126 PolarHBondContact O-N 2.81Å; I124-E133 HydrophobicContact CG2-CB 4.12Å; I124-E133 HydrophobicContact CG2-CG 4.03Å; I124-R135 HydrophobicContact CG1-CG 4.31Å; I124-R135 HydrophobicContact CG2-CG 4.41Å; I124-V325 HydrophobicContact CD1-CG1 3.95Å; I124-T351 HydrophobicContact CD1-CG2 3.7Å; I124-T351 HydrophobicContact CG1-CG2 3.8Å; I124-T352 PolarHBondContact N-O 3.22Å; I124-V353 HydrophobicContact CB-CG2 4.41Å; I124-V353 CarbonylContact O-C 3.24Å; I124-V353 WeakPolarHBondContact O-CA 3.33Å; I124-L354 PolarHBondContact O-N 2.95Å; I124-L374 HydrophobicContact CG2-CD1 3.82Å; I124-L374 HydrophobicContact CG2-CD2 4Å
125	W	98.7	Very high	96.8	Very high	27 Å²	27	54 Å²	54	10%	0.102	27%	0.271	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.3	96.9	175.9	-176.2	32.6	0	0	0	110.3	R127 E133 V134 C170 P171	W125-R127 HydrophobicContact CD2-CG 3.69Å; W125-R127 HydrophobicContact CE3-CG 3.84Å; W125-R127 HydrophobicContact CG-CG 4.27Å; W125-R127 HydrophobicContact CH2-CG 4.07Å; W125-R127 HydrophobicContact CZ2-CG 3.92Å; W125-R127 HydrophobicContact CZ3-CG 4.03Å; W125-R127 PolarHBondContact O-N 2.85Å; W125-E133 CarbonylContact O-C 3.52Å; W125-E133 WeakPolarHBondContact O-CA 3.33Å; W125-E133 WeakPolarHBondContact O-CB 3.22Å; W125-V134 HydrophobicContact CE3-CB 4.2Å; W125-V134 HydrophobicContact CE3-CG2 4.15Å; W125-V134 PolarHBondContact N-O 2.93Å; W125-V134 PolarHBondContact O-N 3.18Å; W125-C170 HydrophobicContact CZ2-CB 4.11Å; W125-P171 HydrophobicContact CB-CG 3.8Å; W125-P171 VanDerWaalsContact CD2-CD 3.49Å; W125-P171 HydrophobicContact CD2-CG 3.98Å; W125-P171 HydrophobicContact CE3-CG 4.04Å; W125-P171 HydrophobicContact CG-CG 3.91Å
126	E	98	Very high	96.9	Very high	0 Å²	0	48.6 Å²	48.6	0%	0	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-79.4	93.1	170.6	178.3	68	-164.2	0	0	108.3	I124 V353 L354 F355 E356 R366 M370 R373 L374	I124-E126 PolarHBondContact O-N 2.81Å; E126-V353 HydrophobicContact CB-CG1 4.18Å; E126-L354 PolarHBondContact N-O 3.08Å; E126-F355 HydrophobicContact CB-CD2 4.27Å; E126-F355 HydrophobicContact CG-CD2 3.81Å; E126-F355 HydrophobicContact CG-CE2 4.17Å; E126-E356 PolarHBondContact O-N 2.81Å; E126-R366 IonicContact OE1-CZ 2.97Å; E126-R366 IonicContact OE1-NE 3.47Å; E126-R366 PolarHBondContact OE1-NE 3.37Å; E126-R366 IonicContact OE1-NH2 2.62Å; E126-R366 PolarHBondContact OE1-NH2 3.1Å; E126-M370 HydrophobicContact CB-SD 4.15Å; E126-M370 HydrophobicContact CG-CG 4.08Å; E126-M370 HydrophobicContact CG-SD 3.87Å; E126-R373 VanDerWaalsContact CD-NH2 3.26Å; E126-R373 IonicContact OE1-CZ 2.82Å; E126-R373 IonicContact OE1-NH1 3.33Å; E126-R373 IonicContact OE1-NH2 2.66Å; E126-R373 PolarHBondContact OE1-NH2 3.29Å; E126-R373 IonicContact OE2-CZ 2.83Å; E126-R373 IonicContact OE2-NH1 2.82Å; E126-R373 PolarHBondContact OE2-NH1 3.08Å; E126-R373 IonicContact OE2-NH2 3.11Å; E126-R373 PolarHBondContact OE2-NH2 3.22Å; E126-L374 HydrophobicContact CB-CD1 4.49Å
127	R	97.1	Very high	97.1	Very high	73 Å²	73	45 Å²	45	28%	0.275	22%	0.221	S	C	.	.			trans	-62.4	168.5	179.5	-65.8	179.4	70.8	-179.9	3.1	112.2	W125 E129 S132 E356 R366	W125-R127 HydrophobicContact CD2-CG 3.69Å; W125-R127 HydrophobicContact CE3-CG 3.84Å; W125-R127 HydrophobicContact CG-CG 4.27Å; W125-R127 HydrophobicContact CH2-CG 4.07Å; W125-R127 HydrophobicContact CZ2-CG 3.92Å; W125-R127 HydrophobicContact CZ3-CG 4.03Å; W125-R127 PolarHBondContact O-N 2.85Å; R127-E129 PolarHBondContact O-N 2.64Å; R127-S132 WeakPolarHBondContact CB-OG 3.47Å; R127-S132 VanDerWaalsContact CD-O 3.29Å; R127-S132 WeakPolarHBondContact CD-O 3.4Å; R127-E356 WeakPolarHBondContact CA-OE2 3.41Å; R127-R366 PolarHBondContact O-NH2 3.37Å
128	D	96.4	Very high	97.3	Very high	0 Å²	0	43 Å²	43	0%	0	21%	0.208	C	C	.	.	S	Bend	trans	-56.5	-36.2	179.2	-165.2	50.7	0	0	0	113.6	V218 G220 G221 E356 S357 Y361 R366	D128-V218 HydrophobicContact CB-CB 4.3Å; D128-V218 HydrophobicContact CB-CG1 3.71Å; D128-G220 VanDerWaalsContact CG-N 3.34Å; D128-G220 PolarHBondContact OD1-N 3.13Å; D128-G220 PolarHBondContact OD2-N 3.33Å; D128-G221 WeakPolarHBondContact OD2-CA 3.42Å; D128-G221 PolarHBondContact OD2-N 3.26Å; D128-E356 PolarHBondContact N-OE2 3.31Å; D128-S357 PolarHBondContact O-OG 2.95Å; D128-S357 VanDerWaalsContact OD1-CA 3.31Å; D128-S357 WeakPolarHBondContact OD1-CA 3.41Å; D128-S357 WeakPolarHBondContact OD1-CB 3.12Å; D128-S357 PolarHBondContact OD1-OG 3.07Å; D128-Y361 WeakPolarHBondContact OD2-CE1 3.3Å; D128-R366 PolarHBondContact O-NH1 3.48Å; D128-R366 PolarHBondContact O-NH2 3.02Å
129	E	93.9	Very high	97.4	Very high	78 Å²	78	46.6 Å²	46.6	36%	0.364	22%	0.217	S	C	.	.	S	Bend	trans	-79.9	125.7	175.4	-59	78.2	-169.8	0	0	111.8	R127 G131 S132 R248	R127-E129 PolarHBondContact O-N 2.64Å; E129-G131 PolarHBondContact O-N 3.07Å; E129-S132 PolarHBondContact O-N 2.75Å; E129-S132 PolarHBondContact O-OG 3.02Å; E129-R248 IonicContact OE2-NH2 2.64Å
130	R	91.8	Very high	97.4	Very high	111 Å²	111	45.1 Å²	45.1	42%	0.419	21%	0.211	S	C	.	.	T	Hydrogen-bonded Turn	trans	-56.1	132.1	179.7	-178.6	-178.4	174.7	-172	-3	111.5	S132 D369	R130-S132 VanDerWaalsContact C-N 3.29Å; R130-S132 PolarHBondContact O-N 3.39Å; R130-D369 WeakPolarHBondContact CG-OD2 3.29Å; R130-D369 IonicContact CZ-OD1 2.74Å; R130-D369 IonicContact NE-OD1 3.48Å; R130-D369 PolarHBondContact NE-OD1 3.49Å; R130-D369 IonicContact NE-OD2 3.66Å; R130-D369 PolarHBondContact NE-OD2 3.09Å; R130-D369 IonicContact NH2-OD1 3.51Å; R130-D369 PolarHBondContact NH2-OD1 3.36Å
131	G	91.7	Very high	97.4	Very high	45 Å²	45	41.6 Å²	41.6	46%	0.464	20%	0.198	S	C	.	.	T	Hydrogen-bonded Turn	trans	75	13.8	175	0	0	0	0	0	115	E129	E129-G131 PolarHBondContact O-N 3.07Å
132	S	95.6	Very high	97.4	Very high	37 Å²	37	41 Å²	41	26%	0.259	19%	0.193	S	C	.	.			trans	-104.6	30.1	177.1	69.6	0	0	0	0	112.4	R127 E129 R130	R127-S132 WeakPolarHBondContact CB-OG 3.47Å; R127-S132 VanDerWaalsContact CD-O 3.29Å; R127-S132 WeakPolarHBondContact CD-O 3.4Å; E129-S132 PolarHBondContact O-N 2.75Å; E129-S132 PolarHBondContact O-OG 3.02Å; R130-S132 VanDerWaalsContact C-N 3.29Å; R130-S132 PolarHBondContact O-N 3.39Å
133	E	97.3	Very high	97.4	Very high	39 Å²	39	44.6 Å²	44.6	18%	0.182	21%	0.21	C	C	.	.			trans	-66.3	145.2	-174.4	81.3	-79.4	-174	0	0	112.7	I124 W125 R135 R373 L374	I124-E133 HydrophobicContact CG2-CB 4.12Å; I124-E133 HydrophobicContact CG2-CG 4.03Å; W125-E133 CarbonylContact O-C 3.52Å; W125-E133 WeakPolarHBondContact O-CA 3.33Å; W125-E133 WeakPolarHBondContact O-CB 3.22Å; E133-R135 IonicContact OE1-CZ 2.84Å; E133-R135 VanDerWaalsContact OE1-CZ 3.28Å; E133-R135 IonicContact OE1-NH1 3.03Å; E133-R135 PolarHBondContact OE1-NH1 3.5Å; E133-R135 IonicContact OE1-NH2 3.93Å; E133-R135 PolarHBondContact OE1-NH2 3.4Å; E133-R373 VanDerWaalsContact CD-NH1 3.34Å; E133-R373 IonicContact OE1-NH1 3.38Å; E133-R373 IonicContact OE2-CZ 3.95Å; E133-R373 IonicContact OE2-NH1 2.69Å; E133-R373 PolarHBondContact OE2-NH1 2.93Å; E133-L374 HydrophobicContact CG-CD2 3.88Å
134	V	98.3	Very high	97.4	Very high	49 Å²	49	46.2 Å²	46.2	30%	0.297	22%	0.218	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.1	134.7	175.2	-173	0	0	0	0	108.8	W125 Y136	W125-V134 HydrophobicContact CE3-CB 4.2Å; W125-V134 HydrophobicContact CE3-CG2 4.15Å; W125-V134 PolarHBondContact N-O 2.93Å; W125-V134 PolarHBondContact O-N 3.18Å; V134-Y136 HydrophobicContact CB-CE2 4Å; V134-Y136 HydrophobicContact CG1-CD2 4.23Å; V134-Y136 HydrophobicContact CG1-CE2 3.49Å; V134-Y136 VanDerWaalsContact CG1-CE2 3.49Å
135	R	98.7	Very high	97.4	Very high	110 Å²	110	45.9 Å²	45.9	42%	0.415	22%	0.216	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.3	137.6	179.9	-65.3	178.8	177.1	71.1	3.5	109.4	V121 L123 I124 E133	V121-R135 HydrophobicContact CG1-CB 4.03Å; V121-R135 HydrophobicContact CG1-CG 4.29Å; V121-R135 HydrophobicContact CG2-CB 4.36Å; L123-R135 WeakPolarHBondContact O-CA 3.34Å; I124-R135 HydrophobicContact CG1-CG 4.31Å; I124-R135 HydrophobicContact CG2-CG 4.41Å; E133-R135 IonicContact OE1-CZ 2.84Å; E133-R135 VanDerWaalsContact OE1-CZ 3.28Å; E133-R135 IonicContact OE1-NH1 3.03Å; E133-R135 PolarHBondContact OE1-NH1 3.5Å; E133-R135 IonicContact OE1-NH2 3.93Å; E133-R135 PolarHBondContact OE1-NH2 3.4Å
136	Y	98.8	Very high	97.4	Very high	52 Å²	52	44.7 Å²	44.7	20%	0.204	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.4	124.9	174.1	-66.7	-101.2	0	0	0	108.6	A122 L123 V134 E140 I144 P171	A122-Y136 PolarHBondContact N-O 2.85Å; L123-Y136 PolarHBondContact N-O 2.94Å; L123-Y136 VanDerWaalsContact N-O 3.1Å; L123-Y136 PolarHBondContact O-N 3.45Å; V134-Y136 HydrophobicContact CB-CE2 4Å; V134-Y136 HydrophobicContact CG1-CD2 4.23Å; V134-Y136 HydrophobicContact CG1-CE2 3.49Å; V134-Y136 VanDerWaalsContact CG1-CE2 3.49Å; Y136-E140 WeakPolarHBondContact CA-OE2 3.31Å; Y136-E140 HydrophobicContact CD1-CB 4.47Å; Y136-I144 HydrophobicContact CD1-CD1 3.82Å; Y136-I144 HydrophobicContact CE1-CD1 3.78Å; Y136-P171 HydrophobicContact CD2-CB 4.04Å; Y136-P171 HydrophobicContact CD2-CG 3.75Å; Y136-P171 HydrophobicContact CE1-CB 4.29Å; Y136-P171 HydrophobicContact CE2-CB 3.79Å; Y136-P171 HydrophobicContact CE2-CG 3.31Å; Y136-P171 HydrophobicContact CG-CB 4.43Å
137	T	98.9	Very high	97.5	Very high	18 Å²	18	47.5 Å²	47.5	11%	0.11	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-71.3	163.8	172.5	63.8	0	0	0	0	111.2	P118 R120 R139 E140 L141	P118-T137 WeakPolarHBondContact O-CB 3.36Å; R120-T137 CarbonylContact O-C 3.56Å; R120-T137 VanDerWaalsContact O-CA 3.23Å; R120-T137 WeakPolarHBondContact O-CA 3.35Å; T137-R139 PolarHBondContact O-N 3.34Å; T137-E140 WeakPolarHBondContact CG2-OE2 3.37Å; T137-E140 PolarHBondContact N-OE2 2.84Å; T137-E140 PolarHBondContact O-N 2.83Å; T137-E140 VanDerWaalsContact OG1-CG 3.29Å; T137-E140 WeakPolarHBondContact OG1-CG 3.44Å; T137-E140 PolarHBondContact OG1-N 2.86Å; T137-E140 VanDerWaalsContact OG1-N 3.14Å; T137-E140 PolarHBondContact OG1-OE2 2.92Å; T137-L141 WeakPolarHBondContact O-CB 3.41Å; T137-L141 PolarHBondContact O-N 3.32Å
138	Y	98.9	Very high	97.6	Very high	0 Å²	0	44 Å²	44	0%	0	21%	0.21	C	C	.	.	H	α-helix	trans	-57.7	-37.5	171.5	-87.6	-83.5	0	0	0	111.9	C109 L110 H113 V114 P118 R120 A122 L142 L346 G349 G350	C109-Y138 VanDerWaalsContact O-CE1 3.31Å; C109-Y138 WeakPolarHBondContact O-CE1 3.46Å; L110-Y138 HydrophobicContact CD2-CD1 4.23Å; H113-Y138 HydrophobicContact CB-CD1 3.76Å; H113-Y138 HydrophobicContact CB-CE1 3.9Å; H113-Y138 HydrophobicContact CB-CG 4.14Å; H113-Y138 AromaticContact CD2-CE1 3.72Å; V114-Y138 WeakPolarHBondContact CG2-O 3.49Å; P118-Y138 PolarHBondContact O-N 2.91Å; R120-Y138 HydrophobicContact CB-CD2 4.03Å; R120-Y138 HydrophobicContact CB-CE2 4.49Å; R120-Y138 HydrophobicContact CG-CD2 4.23Å; R120-Y138 HydrophobicContact CG-CE2 4.2Å; R120-Y138 WeakPolarHBondContact O-CD2 3.26Å; R120-Y138 PolarHBondContact O-N 2.78Å; A122-Y138 HydrophobicContact CB-CD1 4.03Å; A122-Y138 HydrophobicContact CB-CD2 3.71Å; A122-Y138 HydrophobicContact CB-CE1 4.03Å; A122-Y138 HydrophobicContact CB-CE2 3.68Å; A122-Y138 HydrophobicContact CB-CG 3.86Å; Y138-L142 WeakPolarHBondContact O-CB 3.34Å; Y138-L142 PolarHBondContact O-N 2.73Å; Y138-L346 HydrophobicContact CE1-CD2 4.13Å; Y138-G349 WeakPolarHBondContact OH-CA 3.38Å; Y138-G350 PolarHBondContact OH-N 3.48Å; Y138-G350 VanDerWaalsContact OH-N 3.08Å; Y138-G350 PolarHBondContact OH-O 2.74Å
139	R	98.8	Very high	97.7	Very high	108 Å²	108	44 Å²	44	41%	0.408	21%	0.21	S	C	.	.	H	α-helix	trans	-60.7	-55.4	174.6	-176.7	-165.2	-59.8	-104	0.3	111.2	P118 E119 T137 L141 L142 E143	P118-R139 HydrophobicContact CB-CB 4.26Å; P118-R139 PolarHBondContact O-N 3.22Å; E119-R139 IonicContact OE1-CZ 3.07Å; E119-R139 IonicContact OE1-NE 3.42Å; E119-R139 PolarHBondContact OE1-NE 3.09Å; E119-R139 IonicContact OE1-NH2 3.91Å; E119-R139 PolarHBondContact OE1-NH2 2.86Å; T137-R139 PolarHBondContact O-N 3.34Å; R139-L141 VanDerWaalsContact C-N 3.31Å; R139-L141 PolarHBondContact O-N 2.86Å; R139-L142 WeakPolarHBondContact O-CB 3.34Å; R139-L142 PolarHBondContact O-N 2.58Å; R139-L142 VanDerWaalsContact O-N 3.12Å; R139-E143 WeakPolarHBondContact O-CG 3.3Å; R139-E143 PolarHBondContact O-N 3.19Å
140	E	98.8	Very high	97.9	Very high	83 Å²	83	41.6 Å²	41.6	39%	0.388	20%	0.199	S	C	.	.	H	α-helix	trans	-60.1	-42.6	-178.3	-69.8	163.9	142.2	0	0	111.4	Y136 T137 L142 E143 I144	Y136-E140 WeakPolarHBondContact CA-OE2 3.31Å; Y136-E140 HydrophobicContact CD1-CB 4.47Å; T137-E140 WeakPolarHBondContact CG2-OE2 3.37Å; T137-E140 PolarHBondContact N-OE2 2.84Å; T137-E140 PolarHBondContact O-N 2.83Å; T137-E140 VanDerWaalsContact OG1-CG 3.29Å; T137-E140 WeakPolarHBondContact OG1-CG 3.44Å; T137-E140 PolarHBondContact OG1-N 2.86Å; T137-E140 VanDerWaalsContact OG1-N 3.14Å; T137-E140 PolarHBondContact OG1-OE2 2.92Å; E140-L142 VanDerWaalsContact C-N 3.33Å; E140-L142 PolarHBondContact O-N 3.48Å; E140-E143 PolarHBondContact O-N 3.32Å; E140-I144 VanDerWaalsContact O-CG1 3.23Å; E140-I144 WeakPolarHBondContact O-CG1 3.48Å; E140-I144 PolarHBondContact O-N 3.39Å
141	L	98.9	Very high	98.2	Very high	0 Å²	0	36.3 Å²	36.3	0%	0	18%	0.179	C	C	.	.	H	α-helix	trans	-64	-38.2	177	-177.9	57.8	0	0	0	112.2	L110 A122 L123 T137 R139 T145 A175 L178 L346	L110-L141 HydrophobicContact CD2-CB 4.27Å; L110-L141 HydrophobicContact CD2-CD2 3.51Å; L110-L141 HydrophobicContact CD2-CG 3.7Å; A122-L141 HydrophobicContact CB-CD2 3.99Å; L123-L141 HydrophobicContact CD1-CD1 3.77Å; L123-L141 HydrophobicContact CD1-CD2 3.78Å; L123-L141 HydrophobicContact CD1-CG 4.34Å; L123-L141 HydrophobicContact CD2-CD2 4.38Å; L123-L141 HydrophobicContact CG-CD2 3.93Å; T137-L141 WeakPolarHBondContact O-CB 3.41Å; T137-L141 PolarHBondContact O-N 3.32Å; R139-L141 VanDerWaalsContact C-N 3.31Å; R139-L141 PolarHBondContact O-N 2.86Å; L141-T145 VanDerWaalsContact O-CB 3.26Å; L141-T145 WeakPolarHBondContact O-CB 3.45Å; L141-T145 PolarHBondContact O-N 3.35Å; L141-T145 PolarHBondContact O-OG1 3.1Å; L141-A175 HydrophobicContact CD1-CB 4.01Å; L141-L178 HydrophobicContact CD2-CD1 4.26Å; L141-L346 HydrophobicContact CD2-CD1 4.29Å; L141-L346 HydrophobicContact CD2-CD2 4.43Å
142	L	98.9	Very high	98.6	Very high	24 Å²	24	34.2 Å²	34.2	13%	0.126	16%	0.157	C	C	.	.	H	α-helix	trans	-64.4	-45.3	174.4	179.2	60.4	0	0	0	111.7	L110 D111 V114 Y138 R139 E140 I144 T145 C146	L110-L142 HydrophobicContact CB-CB 4.42Å; L110-L142 HydrophobicContact CB-CD1 4.03Å; L110-L142 HydrophobicContact CD1-CB 4.48Å; L110-L142 HydrophobicContact CD1-CD1 4.07Å; D111-L142 WeakPolarHBondContact OD2-CD1 3.12Å; V114-L142 HydrophobicContact CB-CD2 4.15Å; V114-L142 HydrophobicContact CG1-CD2 4.15Å; V114-L142 HydrophobicContact CG2-CB 4.09Å; V114-L142 HydrophobicContact CG2-CD2 3.81Å; Y138-L142 WeakPolarHBondContact O-CB 3.34Å; Y138-L142 PolarHBondContact O-N 2.73Å; R139-L142 WeakPolarHBondContact O-CB 3.34Å; R139-L142 PolarHBondContact O-N 2.58Å; R139-L142 VanDerWaalsContact O-N 3.12Å; E140-L142 VanDerWaalsContact C-N 3.33Å; E140-L142 PolarHBondContact O-N 3.48Å; L142-I144 PolarHBondContact O-N 2.97Å; L142-T145 PolarHBondContact O-N 3.37Å; L142-C146 WeakPolarHBondContact O-CB 3.33Å; L142-C146 PolarHBondContact O-N 3.43Å; L142-C146 PolarHBondContact O-SG 3Å; L142-C146 VanDerWaalsContact O-SG 3.34Å
143	E	98.8	Very high	98.7	Very high	75 Å²	75	36.6 Å²	36.6	35%	0.35	16%	0.161	S	C	.	.	H	α-helix	trans	-60.9	-45.1	178.9	-67.1	179	-174.5	0	0	111.8	R139 E140 C146 R147 V271	R139-E143 WeakPolarHBondContact O-CG 3.3Å; R139-E143 PolarHBondContact O-N 3.19Å; E140-E143 PolarHBondContact O-N 3.32Å; E143-C146 PolarHBondContact O-N 2.71Å; E143-R147 WeakPolarHBondContact O-CG 3.49Å; E143-R147 PolarHBondContact O-N 3.35Å; E143-V271 HydrophobicContact CB-CB 4.27Å; E143-V271 HydrophobicContact CB-CG1 4.13Å; E143-V271 HydrophobicContact CG-CB 4.06Å; E143-V271 HydrophobicContact CG-CG1 4.16Å
144	I	98.8	Very high	98.7	Very high	34 Å²	34	40.5 Å²	40.5	17%	0.174	17%	0.173	C	C	.	.	H	α-helix	trans	-60.7	-46.2	175.1	-64.8	168.1	0	0	0	110.2	Y136 E140 L142 C146 R147 L148 L172 A175 M266	Y136-I144 HydrophobicContact CD1-CD1 3.82Å; Y136-I144 HydrophobicContact CE1-CD1 3.78Å; E140-I144 VanDerWaalsContact O-CG1 3.23Å; E140-I144 WeakPolarHBondContact O-CG1 3.48Å; E140-I144 PolarHBondContact O-N 3.39Å; L142-I144 PolarHBondContact O-N 2.97Å; I144-C146 PolarHBondContact O-N 2.98Å; I144-R147 PolarHBondContact O-N 3.15Å; I144-L148 HydrophobicContact CG2-CD1 4.14Å; I144-L148 WeakPolarHBondContact O-CB 3.44Å; I144-L148 PolarHBondContact O-N 3.37Å; I144-L172 HydrophobicContact CG2-CD2 4.01Å; I144-A175 HydrophobicContact CB-CB 4.32Å; I144-A175 HydrophobicContact CG2-CB 3.45Å; I144-A175 VanDerWaalsContact CG2-CB 3.45Å; I144-M266 HydrophobicContact CB-CE 4.46Å; I144-M266 HydrophobicContact CG2-CE 3.77Å
145	T	98.9	Very high	98.7	Very high	0 Å²	0	39.7 Å²	39.7	0%	0	17%	0.167	C	C	.	.	H	α-helix	trans	-62	-42	179.2	-62	0	0	0	0	111.7	L110 L141 L142 G149 L178 A179	L110-T145 HydrophobicContact CD1-CG2 3.91Å; L141-T145 VanDerWaalsContact O-CB 3.26Å; L141-T145 WeakPolarHBondContact O-CB 3.45Å; L141-T145 PolarHBondContact O-N 3.35Å; L141-T145 PolarHBondContact O-OG1 3.1Å; L142-T145 PolarHBondContact O-N 3.37Å; T145-G149 PolarHBondContact O-N 3.16Å; T145-L178 HydrophobicContact CG2-CB 3.76Å; T145-A179 HydrophobicContact CG2-CB 4.2Å; T145-A179 WeakPolarHBondContact O-CB 3.36Å
146	C	98.9	Very high	98.7	Very high	2 Å²	2	36.5 Å²	36.5	1%	0.014	17%	0.168	C	C	.	.	H	α-helix	trans	-66.6	-46.3	178.3	-76.3	0	0	0	0	112.1	L142 E143 I144 L148 G149 N150 V271 C273	L142-C146 WeakPolarHBondContact O-CB 3.33Å; L142-C146 PolarHBondContact O-N 3.43Å; L142-C146 PolarHBondContact O-SG 3Å; L142-C146 VanDerWaalsContact O-SG 3.34Å; E143-C146 PolarHBondContact O-N 2.71Å; I144-C146 PolarHBondContact O-N 2.98Å; C146-L148 VanDerWaalsContact C-N 3.32Å; C146-L148 PolarHBondContact O-N 3.07Å; C146-G149 PolarHBondContact O-N 3.13Å; C146-G149 VanDerWaalsContact O-N 3.15Å; C146-N150 PolarHBondContact O-N 3.4Å; C146-N150 PolarHBondContact O-ND2 2.85Å; C146-V271 WeakPolarHBondContact CB-O 3.48Å; C146-V271 PolarHBondContact SG-O 3.32Å; C146-C273 HydrophobicContact CB-CB 3.64Å; C146-C273 WeakPolarHBondContact O-CB 3.42Å; C146-C273 PolarHBondContact SG-N 2.8Å
147	R	98.9	Very high	98.6	Very high	60 Å²	60	34.3 Å²	34.3	23%	0.226	16%	0.16	C	C	.	.	H	α-helix	trans	-58	-45.9	175.5	-73.4	174.6	175.8	-75.9	-8.5	111.3	E143 I144 G149 N150 L151 M266 L267 E269 D270 V271	E143-R147 WeakPolarHBondContact O-CG 3.49Å; E143-R147 PolarHBondContact O-N 3.35Å; I144-R147 PolarHBondContact O-N 3.15Å; R147-G149 PolarHBondContact O-N 2.95Å; R147-N150 PolarHBondContact O-N 3.1Å; R147-L151 VanDerWaalsContact O-CB 3.3Å; R147-L151 WeakPolarHBondContact O-CB 3.33Å; R147-L151 PolarHBondContact O-N 3.47Å; R147-M266 HydrophobicContact CB-CB 4.26Å; R147-M266 HydrophobicContact CB-CE 4.15Å; R147-M266 PolarHBondContact NH1-O 2.69Å; R147-L267 PolarHBondContact NH1-O 2.8Å; R147-E269 HydrophobicContact CB-CB 4.23Å; R147-E269 HydrophobicContact CG-CB 4.3Å; R147-E269 PolarHBondContact NH1-O 3.31Å; R147-E269 WeakPolarHBondContact O-CG 3.37Å; R147-D270 WeakPolarHBondContact CG-O 3.41Å; R147-V271 VanDerWaalsContact NH2-CG1 3.33Å
148	L	98.8	Very high	98.6	Very high	0 Å²	0	40.5 Å²	40.5	0%	0	19%	0.185	C	C	.	.	H	α-helix	trans	-61.3	-43.4	174.4	-79.9	167.6	0	0	0	112.4	I144 C146 L151 L152 A175 A179 L262 M266	I144-L148 HydrophobicContact CG2-CD1 4.14Å; I144-L148 WeakPolarHBondContact O-CB 3.44Å; I144-L148 PolarHBondContact O-N 3.37Å; C146-L148 VanDerWaalsContact C-N 3.32Å; C146-L148 PolarHBondContact O-N 3.07Å; L148-L151 HydrophobicContact CD2-CD2 4.49Å; L148-L151 WeakPolarHBondContact O-CB 3.19Å; L148-L151 PolarHBondContact O-N 2.97Å; L148-L152 WeakPolarHBondContact O-CB 3.33Å; L148-L152 VanDerWaalsContact O-CG 3.25Å; L148-L152 WeakPolarHBondContact O-CG 3.47Å; L148-L152 PolarHBondContact O-N 2.91Å; L148-A175 HydrophobicContact CD1-CB 3.7Å; L148-A179 HydrophobicContact CB-CB 3.57Å; L148-L262 HydrophobicContact CD2-CD1 3.48Å; L148-L262 VanDerWaalsContact CD2-CD1 3.48Å; L148-L262 HydrophobicContact CD2-CD2 4.33Å; L148-L262 HydrophobicContact CD2-CG 4.26Å; L148-M266 HydrophobicContact CD1-CE 4.21Å; L148-M266 HydrophobicContact CD1-SD 4.27Å; L148-M266 HydrophobicContact CD2-CE 4.23Å; L148-M266 HydrophobicContact CD2-CG 3.86Å; L148-M266 HydrophobicContact CD2-SD 3.41Å; L148-M266 WeakPolarHBondContact CD2-SD 3.31Å; L148-M266 HydrophobicContact CG-CE 3.69Å; L148-M266 HydrophobicContact CG-CG 4.15Å; L148-M266 HydrophobicContact CG-SD 3.58Å; L148-M266 VanDerWaalsContact CG-SD 3.58Å
149	G	98.8	Very high	98.5	Very high	0 Å²	0	45 Å²	45	0%	0	21%	0.205	C	C	.	.	H	α-helix	trans	-61.2	-45.3	178.3	0	0	0	0	0	112.7	T145 C146 R147 L152 R153	T145-G149 PolarHBondContact O-N 3.16Å; C146-G149 PolarHBondContact O-N 3.13Å; C146-G149 VanDerWaalsContact O-N 3.15Å; R147-G149 PolarHBondContact O-N 2.95Å; G149-L152 PolarHBondContact O-N 2.79Å; G149-R153 WeakPolarHBondContact O-CG 3.47Å; G149-R153 PolarHBondContact O-N 2.81Å; G149-R153 VanDerWaalsContact O-N 3.07Å
150	N	98.8	Very high	98.3	Very high	27 Å²	27	42.9 Å²	42.9	14%	0.144	22%	0.216	C	C	.	.	H	α-helix	trans	-65	-42.8	175.8	-73.1	-25.8	0	0	0	111.8	C146 R147 L152 R153 R154 E269 D270 V272 C273	C146-N150 PolarHBondContact O-N 3.4Å; C146-N150 PolarHBondContact O-ND2 2.85Å; R147-N150 PolarHBondContact O-N 3.1Å; N150-L152 PolarHBondContact O-N 2.74Å; N150-R153 WeakPolarHBondContact O-CB 3.21Å; N150-R153 PolarHBondContact O-N 3.21Å; N150-R154 PolarHBondContact O-N 2.97Å; N150-E269 HydrophobicContact CB-CB 3.97Å; N150-E269 HydrophobicContact CB-CG 4.12Å; N150-E269 WeakPolarHBondContact CB-OE2 3.33Å; N150-D270 PolarHBondContact ND2-O 2.87Å; N150-D270 VanDerWaalsContact ND2-O 3.16Å; N150-V272 PolarHBondContact ND2-O 3Å; N150-C273 WeakPolarHBondContact OD1-CB 3.43Å
151	L	98.8	Very high	98.3	Very high	0 Å²	0	41.7 Å²	41.7	0%	0	21%	0.213	C	C	.	.	H	α-helix	trans	-55.4	-52.1	174.7	173.8	60.5	0	0	0	111.2	R147 L148 R153 R154 H155 F244 L262 E265 M266 E269	R147-L151 VanDerWaalsContact O-CB 3.3Å; R147-L151 WeakPolarHBondContact O-CB 3.33Å; R147-L151 PolarHBondContact O-N 3.47Å; L148-L151 HydrophobicContact CD2-CD2 4.49Å; L148-L151 WeakPolarHBondContact O-CB 3.19Å; L148-L151 PolarHBondContact O-N 2.97Å; L151-R153 VanDerWaalsContact C-N 3.3Å; L151-R153 PolarHBondContact O-N 2.82Å; L151-R154 VanDerWaalsContact CD1-NH2 3.28Å; L151-R154 PolarHBondContact O-N 3.27Å; L151-H155 WeakPolarHBondContact O-CB 3.4Å; L151-H155 PolarHBondContact O-CD2 3.06Å; L151-H155 PolarHBondContact O-N 3.41Å; L151-F244 HydrophobicContact CD1-CE1 3.9Å; L151-F244 HydrophobicContact CD1-CZ 4.22Å; L151-F244 HydrophobicContact CD2-CD1 4Å; L151-F244 HydrophobicContact CD2-CE1 3.84Å; L151-F244 HydrophobicContact CD2-CZ 4.32Å; L151-F244 HydrophobicContact CG-CE1 3.93Å; L151-F244 HydrophobicContact CG-CZ 4.05Å; L151-L262 HydrophobicContact CD2-CD1 3.64Å; L151-E265 HydrophobicContact CD1-CB 3.66Å; L151-E265 HydrophobicContact CD1-CG 4.44Å; L151-E265 HydrophobicContact CD2-CB 4Å; L151-M266 HydrophobicContact CD2-CG 3.91Å; L151-E269 HydrophobicContact CB-CG 3.97Å
152	L	98.7	Very high	98.2	Very high	1 Å²	1	42.3 Å²	42.3	1%	0.005	22%	0.217	C	C	.	.	H	α-helix	trans	-59.6	-40.8	179.3	-69.4	174.4	0	0	0	111.6	L148 G149 N150 H155 G156 V157 A179 I183 T210 I212 F244	L148-L152 WeakPolarHBondContact O-CB 3.33Å; L148-L152 VanDerWaalsContact O-CG 3.25Å; L148-L152 WeakPolarHBondContact O-CG 3.47Å; L148-L152 PolarHBondContact O-N 2.91Å; G149-L152 PolarHBondContact O-N 2.79Å; N150-L152 PolarHBondContact O-N 2.74Å; L152-H155 CarbonylContact O-C 3.55Å; L152-H155 PolarHBondContact O-N 2.7Å; L152-G156 PolarHBondContact O-N 2.92Å; L152-V157 HydrophobicContact CB-CB 4.06Å; L152-V157 HydrophobicContact CB-CG2 4.07Å; L152-V157 HydrophobicContact CD2-CG2 4.14Å; L152-V157 VanDerWaalsContact O-CB 3.31Å; L152-V157 WeakPolarHBondContact O-CB 3.21Å; L152-V157 WeakPolarHBondContact O-CG2 3.3Å; L152-V157 PolarHBondContact O-N 3.09Å; L152-A179 HydrophobicContact CD1-CB 4.42Å; L152-I183 HydrophobicContact CB-CD1 3.67Å; L152-I183 HydrophobicContact CD1-CD1 4.16Å; L152-T210 HydrophobicContact CD2-CG2 3.99Å; L152-I212 HydrophobicContact CD2-CD1 4.29Å; L152-F244 HydrophobicContact CD2-CD2 4.35Å; L152-F244 HydrophobicContact CD2-CE2 3.96Å
153	R	98.4	Very high	98.2	Very high	87 Å²	87	41.1 Å²	41.1	33%	0.328	21%	0.211	S	C	.	.	H	α-helix	trans	-64.5	-46	175.4	-77.3	175.1	174.6	159.7	0.2	112.9	G149 N150 L151 H155 G156 I183 C273 E274	G149-R153 WeakPolarHBondContact O-CG 3.47Å; G149-R153 PolarHBondContact O-N 2.81Å; G149-R153 VanDerWaalsContact O-N 3.07Å; N150-R153 WeakPolarHBondContact O-CB 3.21Å; N150-R153 PolarHBondContact O-N 3.21Å; L151-R153 VanDerWaalsContact C-N 3.3Å; L151-R153 PolarHBondContact O-N 2.82Å; R153-H155 PolarHBondContact O-N 3.2Å; R153-G156 PolarHBondContact O-N 3.11Å; R153-I183 HydrophobicContact CG-CB 4.36Å; R153-I183 HydrophobicContact CG-CD1 4.29Å; R153-I183 HydrophobicContact CG-CG2 4.12Å; R153-C273 PolarHBondContact NH1-SG 3.5Å; R153-E274 VanDerWaalsContact CZ-O 3.25Å; R153-E274 PolarHBondContact NH1-O 2.82Å; R153-E274 PolarHBondContact NH2-O 2.79Å
154	R	98	Very high	98.2	Very high	120 Å²	120	37.6 Å²	37.6	45%	0.453	19%	0.194	S	C	.	.	H	α-helix	trans	-57.6	-36.6	175.9	175.9	170	57	97.9	-9.6	110.9	N150 L151 G156 E265 E269	N150-R154 PolarHBondContact O-N 2.97Å; L151-R154 VanDerWaalsContact CD1-NH2 3.28Å; L151-R154 PolarHBondContact O-N 3.27Å; R154-G156 PolarHBondContact O-N 3.36Å; R154-E265 IonicContact CZ-OE2 2.83Å; R154-E265 IonicContact NH1-OE2 3.46Å; R154-E265 PolarHBondContact NH1-OE2 2.62Å; R154-E265 IonicContact NH2-OE2 3.17Å; R154-E265 PolarHBondContact NH2-OE2 2.99Å; R154-E269 IonicContact CZ-OE1 3.2Å; R154-E269 IonicContact NE-OE1 2.78Å; R154-E269 PolarHBondContact NE-OE1 2.97Å; R154-E269 IonicContact NH2-OE1 3.77Å; R154-E269 PolarHBondContact NH2-OE1 3.38Å
155	H	97.8	Very high	98.2	Very high	33 Å²	33	36 Å²	36	15%	0.153	19%	0.186	C	C	.	.	T	Hydrogen-bonded Turn	trans	-85.1	15	176.3	-82.6	-99.9	0	0	0	114.4	L151 L152 R153 Q242 F244 F260	L151-H155 WeakPolarHBondContact O-CB 3.4Å; L151-H155 PolarHBondContact O-CD2 3.06Å; L151-H155 PolarHBondContact O-N 3.41Å; L152-H155 CarbonylContact O-C 3.55Å; L152-H155 PolarHBondContact O-N 2.7Å; R153-H155 PolarHBondContact O-N 3.2Å; H155-Q242 VanDerWaalsContact CB-OE1 3.32Å; H155-Q242 PolarHBondContact ND1-OE1 2.92Å; H155-Q242 PolarHBondContact O-NE2 3.2Å; H155-F244 HydrophobicContact CB-CZ 3.95Å; H155-F244 AromaticContact CD2-CZ 3.9Å; H155-F244 AromaticContact CG-CZ 3.58Å; H155-F244 AromaticContact ND1-CZ 3.68Å; H155-F260 AromaticContact CE1-CD1 3.84Å; H155-F260 AromaticContact CE1-CE1 3.71Å; H155-F260 AromaticContact CE1-CZ 3.82Å
156	G	97.8	Very high	98.2	Very high	43 Å²	43	36 Å²	36	44%	0.443	19%	0.186	S	C	.	.	T	Hydrogen-bonded Turn	trans	83.6	9.2	166.2	0	0	0	0	0	116	L152 R153 R154	L152-G156 PolarHBondContact O-N 2.92Å; R153-G156 PolarHBondContact O-N 3.11Å; R154-G156 PolarHBondContact O-N 3.36Å
157	V	98.5	Very high	98.1	Very high	5 Å²	5	35.9 Å²	35.9	3%	0.03	19%	0.185	C	C	.	.			trans	-70.1	128.2	172.5	-178.4	0	0	0	0	109.6	L152 D161 V163 I183 A185	L152-V157 HydrophobicContact CB-CB 4.06Å; L152-V157 HydrophobicContact CB-CG2 4.07Å; L152-V157 HydrophobicContact CD2-CG2 4.14Å; L152-V157 VanDerWaalsContact O-CB 3.31Å; L152-V157 WeakPolarHBondContact O-CB 3.21Å; L152-V157 WeakPolarHBondContact O-CG2 3.3Å; L152-V157 PolarHBondContact O-N 3.09Å; V157-D161 HydrophobicContact CG1-CB 4.1Å; V157-V163 HydrophobicContact CG1-CG2 3.9Å; V157-V163 HydrophobicContact CG2-CG2 4.35Å; V157-I183 HydrophobicContact CB-CD1 4.18Å; V157-I183 HydrophobicContact CG1-CD1 3.83Å; V157-A185 HydrophobicContact CG1-CB 3.79Å
158	K	97.3	Very high	97.8	Very high	148 Å²	148	33.8 Å²	33.8	64%	0.643	18%	0.179	S	C	*	.			trans	-115.9	166.9	-177.2	-60.7	178.8	-173.3	178.8	0	111.5	G160 D161	K158-G160 PolarHBondContact O-N 2.88Å; K158-D161 PolarHBondContact N-OD2 2.87Å; K158-D161 WeakPolarHBondContact O-CB 3.35Å; K158-D161 PolarHBondContact O-N 2.77Å; K158-D161 VanDerWaalsContact O-N 3.08Å
159	K	97.6	Very high	97.6	Very high	96 Å²	96	33.9 Å²	33.9	42%	0.417	18%	0.18	S	C	.	.	T	Hydrogen-bonded Turn	trans	-53.9	129.7	169	178.2	179.3	174.4	172.5	0	109.5	G184 M278 D279 D282	K159-G184 CarbonylContact C-O 3.43Å; K159-G184 VanDerWaalsContact CA-O 3.31Å; K159-G184 WeakPolarHBondContact CA-O 3.35Å; K159-M278 HydrophobicContact CD-CE 4.17Å; K159-M278 HydrophobicContact CD-SD 3.84Å; K159-M278 HydrophobicContact CG-CE 4.01Å; K159-M278 HydrophobicContact CG-SD 4.07Å; K159-D279 IonicContact NZ-OD2 2.65Å; K159-D282 WeakPolarHBondContact CE-OD2 3.41Å; K159-D282 IonicContact NZ-OD1 3.97Å; K159-D282 IonicContact NZ-OD2 2.74Å; K159-D282 PolarHBondContact NZ-OD2 3.16Å
160	G	94.4	Very high	97.5	Very high	63 Å²	63	34.3 Å²	34.3	65%	0.649	18%	0.183	S	C	*	.	T	Hydrogen-bonded Turn	trans	89	-13.7	-178.6	0	0	0	0	0	115.4	K158 G184	K158-G160 PolarHBondContact O-N 2.88Å; G160-G184 PolarHBondContact N-O 2.85Å
161	D	98	Very high	97.5	Very high	57 Å²	57	33.3 Å²	33.3	31%	0.305	18%	0.178	S	C	.	.			trans	-68.3	154.7	172.7	-70.6	-15.4	0	0	0	110.7	V157 K158 A185 A186	V157-D161 HydrophobicContact CG1-CB 4.1Å; K158-D161 PolarHBondContact N-OD2 2.87Å; K158-D161 WeakPolarHBondContact O-CB 3.35Å; K158-D161 PolarHBondContact O-N 2.77Å; K158-D161 VanDerWaalsContact O-N 3.08Å; D161-A185 CarbonylContact O-C 3.5Å; D161-A185 WeakPolarHBondContact O-CA 3.4Å; D161-A185 WeakPolarHBondContact O-CB 3.44Å; D161-A186 PolarHBondContact O-N 3.31Å
162	C	98	Very high	97.5	Very high	13 Å²	13	35 Å²	35	9%	0.088	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.8	129.4	175.1	-168.2	0	0	0	0	112.4	A186 A206 S208	C162-A186 CarbonylContact C-O 3.22Å; C162-A186 VanDerWaalsContact CA-O 3.25Å; C162-A186 WeakPolarHBondContact CA-O 3.33Å; C162-A206 WeakPolarHBondContact CB-O 3.41Å; C162-S208 WeakPolarHBondContact O-CA 3.31Å; C162-S208 WeakPolarHBondContact O-CB 3.3Å; C162-S208 PolarHBondContact O-OG 3.33Å
163	V	98.9	Very high	97.5	Very high	0 Å²	0	35 Å²	35	0%	0	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.3	121	175	179.7	0	0	0	0	109.4	V157 A185 A186 H187 N188 T210 I212	V157-V163 HydrophobicContact CG1-CG2 3.9Å; V157-V163 HydrophobicContact CG2-CG2 4.35Å; V163-A185 HydrophobicContact CG2-CB 4.36Å; V163-A186 PolarHBondContact N-O 3.48Å; V163-H187 CarbonylContact O-C 3.32Å; V163-H187 WeakPolarHBondContact O-CA 3.2Å; V163-N188 PolarHBondContact O-N 2.91Å; V163-T210 HydrophobicContact CG1-CG2 4.03Å; V163-I212 HydrophobicContact CG1-CD1 3.84Å; V163-I212 HydrophobicContact CG1-CG1 3.96Å
164	T	98.9	Very high	97.5	Very high	0 Å²	0	30.9 Å²	30.9	0%	0	17%	0.171	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.9	130.2	175.7	-73.3	0	0	0	0	110.4	N188 V190 L199 I203 S208 T210 V211 I212	T164-N188 CarbonylContact C-O 3.37Å; T164-N188 WeakPolarHBondContact CA-O 3.34Å; T164-N188 PolarHBondContact OG1-ND2 3.39Å; T164-N188 VanDerWaalsContact OG1-ND2 3.1Å; T164-V190 HydrophobicContact CG2-CG2 3.98Å; T164-L199 HydrophobicContact CG2-CD1 4.03Å; T164-I203 HydrophobicContact CG2-CD1 4.46Å; T164-I203 HydrophobicContact CG2-CG1 3.87Å; T164-S208 WeakPolarHBondContact OG1-CB 3.47Å; T164-S208 PolarHBondContact OG1-OG 2.91Å; T164-T210 PolarHBondContact N-O 3.23Å; T164-V211 HydrophobicContact CG2-CG1 4.5Å; T164-V211 CarbonylContact O-C 3.5Å; T164-V211 VanDerWaalsContact O-CA 3.28Å; T164-V211 WeakPolarHBondContact O-CA 3.41Å; T164-I212 PolarHBondContact O-N 3.43Å
165	I	98.9	Very high	97.6	Very high	0 Å²	0	25.1 Å²	25.1	0%	0	15%	0.149	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.7	115	178.2	-60.7	171.6	0	0	0	108.2	M167 M177 H187 N188 V189 V190	I165-M167 HydrophobicContact CG2-CB 4.28Å; I165-M167 HydrophobicContact CG2-CE 3.57Å; I165-M167 HydrophobicContact CG2-CG 4.37Å; I165-M177 HydrophobicContact CD1-CG 3.85Å; I165-H187 HydrophobicContact CD1-CB 3.81Å; I165-N188 PolarHBondContact N-O 2.78Å; I165-V189 HydrophobicContact CB-CG2 4.21Å; I165-V189 HydrophobicContact CD1-CG2 4.28Å; I165-V189 WeakPolarHBondContact O-CA 3.4Å; I165-V190 PolarHBondContact O-N 2.93Å
166	Y	98.4	Very high	97.6	Very high	1 Å²	1	23.6 Å²	23.6	0%	0.004	14%	0.142	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.7	75.5	178.1	-173.2	-108	0	0	0	109.4	V190 F191 A192 F194 L199 I212 T213 L226 T229 V230	Y166-V190 HydrophobicContact CD2-CB 4.04Å; Y166-V190 HydrophobicContact CD2-CG1 3.98Å; Y166-V190 HydrophobicContact CE2-CG1 4.31Å; Y166-F191 VanDerWaalsContact CE2-O 3.29Å; Y166-F191 WeakPolarHBondContact CE2-O 3.34Å; Y166-A192 PolarHBondContact OH-O 3.47Å; Y166-F194 PolarHBondContact OH-O 3.46Å; Y166-L199 HydrophobicContact CD1-CD2 4.04Å; Y166-L199 HydrophobicContact CD2-CD1 3.88Å; Y166-L199 HydrophobicContact CD2-CD2 4.08Å; Y166-L199 HydrophobicContact CD2-CG 4.48Å; Y166-L199 HydrophobicContact CE1-CD2 4.28Å; Y166-L199 HydrophobicContact CE2-CD2 4.29Å; Y166-L199 HydrophobicContact CG-CD1 4.16Å; Y166-L199 HydrophobicContact CG-CD2 3.94Å; Y166-I212 PolarHBondContact N-O 2.85Å; Y166-T213 WeakPolarHBondContact O-CA 3.29Å; Y166-T213 WeakPolarHBondContact O-CB 3.39Å; Y166-T213 PolarHBondContact O-OG1 3.22Å; Y166-L226 HydrophobicContact CD1-CB 4.39Å; Y166-L226 HydrophobicContact CD1-CD2 4.43Å; Y166-L226 HydrophobicContact CE1-CB 4.09Å; Y166-L226 HydrophobicContact CE1-CD2 3.61Å; Y166-L226 HydrophobicContact CE1-CG 4.38Å; Y166-T229 HydrophobicContact CE1-CG2 4.11Å; Y166-T229 WeakPolarHBondContact OH-CG2 3.33Å; Y166-V230 HydrophobicContact CD1-CG2 3.61Å; Y166-V230 HydrophobicContact CE1-CG2 4.28Å; Y166-V230 HydrophobicContact CG-CG2 4.37Å
167	M	97.3	Very high	97.7	Very high	0 Å²	0	21.5 Å²	21.5	0%	0	12%	0.121	C	C	.	.			trans	-136.7	151.1	-175.9	-69.9	-166.4	-80	0	0	110.8	I165 A173 S176 I212 V214	I165-M167 HydrophobicContact CG2-CB 4.28Å; I165-M167 HydrophobicContact CG2-CE 3.57Å; I165-M167 HydrophobicContact CG2-CG 4.37Å; M167-A173 HydrophobicContact CB-CB 3.87Å; M167-A173 VanDerWaalsContact CE-CA 3.47Å; M167-A173 HydrophobicContact CE-CB 3.82Å; M167-A173 HydrophobicContact SD-CB 4.39Å; M167-S176 WeakPolarHBondContact CE-OG 3.29Å; M167-I212 HydrophobicContact CE-CB 4.22Å; M167-I212 HydrophobicContact CE-CG2 3.57Å; M167-I212 HydrophobicContact SD-CG2 4.13Å; M167-V214 HydrophobicContact CG-CG1 4.01Å; M167-V214 HydrophobicContact SD-CG1 3.76Å
168	P	92.8	Very high	97.7	Very high	15 Å²	15	21.3 Å²	21.3	10%	0.097	12%	0.12	C	C	.	.			trans	-66.9	168.9	167.3	31.8	-34.9	0	0	0	110.5	C170 V214 L226	P168-C170 PolarHBondContact O-N 2.94Å; P168-V214 HydrophobicContact CG-CG2 4.39Å; P168-L226 HydrophobicContact CG-CD1 4.49Å
169	T	93.7	Very high	97.8	Very high	3 Å²	3	14.2 Å²	14.2	2%	0.018	9%	0.089	C	C	.	.	S	Bend	trans	-60.1	103.6	172	-55.9	0	0	0	0	110.8	D331 I332 T341 L354	T169-D331 WeakPolarHBondContact OG1-CA 3.28Å; T169-I332 HydrophobicContact CG2-CG2 4.01Å; T169-I332 PolarHBondContact OG1-N 2.88Å; T169-T341 HydrophobicContact CG2-CG2 4.45Å; T169-L354 HydrophobicContact CG2-CB 3.75Å; T169-L354 HydrophobicContact CG2-CD2 3.99Å; T169-L354 HydrophobicContact CG2-CG 4.36Å
170	C	97.3	Very high	97.8	Very high	9 Å²	9	9.7 Å²	9.7	6%	0.061	7%	0.069	C	C	.	.	S	Bend	trans	-151	165.2	177.9	73.7	0	0	0	0	111.3	W125 P168 L172 A173 V174	W125-C170 HydrophobicContact CZ2-CB 4.11Å; P168-C170 PolarHBondContact O-N 2.94Å; C170-L172 VanDerWaalsContact C-N 3.32Å; C170-L172 PolarHBondContact O-N 3.02Å; C170-A173 WeakPolarHBondContact O-CB 3.38Å; C170-A173 PolarHBondContact O-N 3.4Å; C170-V174 PolarHBondContact O-N 3.46Å; C170-V174 VanDerWaalsContact O-N 3.16Å
171	P	98.5	Very high	98	Very high	5 Å²	5	6.7 Å²	6.7	3%	0.032	4%	0.038	C	C	.	.	H	α-helix	trans	-56.7	-40.7	-178.7	-27.1	34.7	0	0	0	113.9	L123 W125 Y136 A173 V174 A175 L354	L123-P171 HydrophobicContact CD1-CB 4.21Å; W125-P171 HydrophobicContact CB-CG 3.8Å; W125-P171 VanDerWaalsContact CD2-CD 3.49Å; W125-P171 HydrophobicContact CD2-CG 3.98Å; W125-P171 HydrophobicContact CE3-CG 4.04Å; W125-P171 HydrophobicContact CG-CG 3.91Å; Y136-P171 HydrophobicContact CD2-CB 4.04Å; Y136-P171 HydrophobicContact CD2-CG 3.75Å; Y136-P171 HydrophobicContact CE1-CB 4.29Å; Y136-P171 HydrophobicContact CE2-CB 3.79Å; Y136-P171 HydrophobicContact CE2-CG 3.31Å; Y136-P171 HydrophobicContact CG-CB 4.43Å; P171-A173 VanDerWaalsContact C-N 3.28Å; P171-A173 PolarHBondContact O-N 2.9Å; P171-V174 PolarHBondContact O-N 3.36Å; P171-A175 WeakPolarHBondContact O-CB 3.47Å; P171-A175 PolarHBondContact O-N 3.22Å; P171-L354 HydrophobicContact CG-CD1 4.19Å
172	L	98.4	Very high	98.1	Very high	37 Å²	37	4.3 Å²	4.3	19%	0.194	3%	0.025	C	C	.	.	H	α-helix	trans	-63.7	-34.4	177.4	-78.8	174.6	0	0	0	112.1	I144 C170 A175 S176 A246 M266	I144-L172 HydrophobicContact CG2-CD2 4.01Å; C170-L172 VanDerWaalsContact C-N 3.32Å; C170-L172 PolarHBondContact O-N 3.02Å; L172-A175 PolarHBondContact O-N 3.21Å; L172-S176 VanDerWaalsContact O-CB 3.29Å; L172-S176 WeakPolarHBondContact O-CB 3.44Å; L172-S176 PolarHBondContact O-N 3.07Å; L172-S176 PolarHBondContact O-OG 2.89Å; L172-A246 HydrophobicContact CD1-CB 3.72Å; L172-M266 HydrophobicContact CD2-CE 4.32Å; L172-M266 HydrophobicContact CD2-SD 4.21Å
173	A	98.6	Very high	98.1	Very high	0 Å²	0	4 Å²	4	0%	0	2%	0.022	C	C	.	.	H	α-helix	trans	-69.9	-41.9	177.3	0	0	0	0	0	112.1	M167 C170 P171 S176 M177 I332	M167-A173 HydrophobicContact CB-CB 3.87Å; M167-A173 VanDerWaalsContact CE-CA 3.47Å; M167-A173 HydrophobicContact CE-CB 3.82Å; M167-A173 HydrophobicContact SD-CB 4.39Å; C170-A173 WeakPolarHBondContact O-CB 3.38Å; C170-A173 PolarHBondContact O-N 3.4Å; P171-A173 VanDerWaalsContact C-N 3.28Å; P171-A173 PolarHBondContact O-N 2.9Å; A173-S176 WeakPolarHBondContact O-CB 3.39Å; A173-S176 PolarHBondContact O-N 3.46Å; A173-M177 WeakPolarHBondContact O-CG 3.22Å; A173-M177 PolarHBondContact O-N 2.99Å; A173-I332 HydrophobicContact CB-CD1 3.33Å
174	V	98.9	Very high	98.1	Very high	0 Å²	0	4 Å²	4	0%	0	2%	0.023	C	C	.	.	H	α-helix	trans	-60.2	-48.3	171.4	179.5	0	0	0	0	110.9	L123 C170 P171 S176 M177 L178 V342 L346 L354	L123-V174 HydrophobicContact CD1-CB 4.26Å; L123-V174 HydrophobicContact CD1-CG1 4.22Å; L123-V174 HydrophobicContact CD2-CG1 4.33Å; C170-V174 PolarHBondContact O-N 3.46Å; C170-V174 VanDerWaalsContact O-N 3.16Å; P171-V174 PolarHBondContact O-N 3.36Å; V174-S176 VanDerWaalsContact C-N 3.27Å; V174-S176 PolarHBondContact O-N 3.28Å; V174-M177 PolarHBondContact O-N 3.28Å; V174-L178 HydrophobicContact CG1-CD1 3.95Å; V174-L178 WeakPolarHBondContact O-CG 3.39Å; V174-L178 PolarHBondContact O-N 2.82Å; V174-V342 HydrophobicContact CG1-CG1 3.96Å; V174-V342 HydrophobicContact CG1-CG2 4.24Å; V174-V342 HydrophobicContact CG2-CG2 3.91Å; V174-L346 HydrophobicContact CG1-CD1 4.06Å; V174-L354 HydrophobicContact CG2-CD1 3.76Å; V174-L354 HydrophobicContact CG2-CD2 3.91Å
175	A	98.9	Very high	98.1	Very high	0 Å²	0	4 Å²	4	0%	0	2%	0.023	C	C	.	.	H	α-helix	trans	-62.6	-34.5	178	0	0	0	0	0	112.2	L141 I144 L148 P171 L172 L178 A179	L141-A175 HydrophobicContact CD1-CB 4.01Å; I144-A175 HydrophobicContact CB-CB 4.32Å; I144-A175 HydrophobicContact CG2-CB 3.45Å; I144-A175 VanDerWaalsContact CG2-CB 3.45Å; L148-A175 HydrophobicContact CD1-CB 3.7Å; P171-A175 WeakPolarHBondContact O-CB 3.47Å; P171-A175 PolarHBondContact O-N 3.22Å; L172-A175 PolarHBondContact O-N 3.21Å; A175-L178 PolarHBondContact O-N 3.34Å; A175-A179 WeakPolarHBondContact O-CB 3.36Å; A175-A179 PolarHBondContact O-N 2.99Å
176	S	98.9	Very high	98.1	Very high	0 Å²	0	4.4 Å²	4.4	0%	0	3%	0.026	C	C	.	.	H	α-helix	trans	-66.3	-43.2	175.6	-62.9	0	0	0	0	112	M167 L172 A173 V174 A179 C180	M167-S176 WeakPolarHBondContact CE-OG 3.29Å; L172-S176 VanDerWaalsContact O-CB 3.29Å; L172-S176 WeakPolarHBondContact O-CB 3.44Å; L172-S176 PolarHBondContact O-N 3.07Å; L172-S176 PolarHBondContact O-OG 2.89Å; A173-S176 WeakPolarHBondContact O-CB 3.39Å; A173-S176 PolarHBondContact O-N 3.46Å; V174-S176 VanDerWaalsContact C-N 3.27Å; V174-S176 PolarHBondContact O-N 3.28Å; S176-A179 PolarHBondContact O-N 3.03Å; S176-C180 PolarHBondContact O-N 2.95Å; S176-C180 PolarHBondContact O-SG 2.96Å
177	M	98.9	Very high	98.1	Very high	0 Å²	0	4.3 Å²	4.3	0%	0	3%	0.025	C	C	.	.	H	α-helix	trans	-60.1	-47.9	173.9	-66.2	165.9	68.9	0	0	110.9	I165 A173 V174 C180 A181 V189 I332 V342 Y343	I165-M177 HydrophobicContact CD1-CG 3.85Å; A173-M177 WeakPolarHBondContact O-CG 3.22Å; A173-M177 PolarHBondContact O-N 2.99Å; V174-M177 PolarHBondContact O-N 3.28Å; M177-C180 PolarHBondContact O-N 2.59Å; M177-A181 PolarHBondContact O-N 3.16Å; M177-A181 VanDerWaalsContact O-N 3.1Å; M177-V189 HydrophobicContact CE-CG2 4.38Å; M177-V189 HydrophobicContact CG-CG2 3.84Å; M177-V189 HydrophobicContact SD-CG2 4.05Å; M177-I332 HydrophobicContact SD-CD1 4.39Å; M177-V342 HydrophobicContact CE-CB 4.3Å; M177-V342 HydrophobicContact CE-CG1 4.3Å; M177-V342 HydrophobicContact CE-CG2 4.14Å; M177-V342 HydrophobicContact SD-CG2 4.16Å; M177-Y343 HydrophobicContact CE-CE2 3.76Å
178	L	98.9	Very high	98.2	Very high	0 Å²	0	4.3 Å²	4.3	0%	0	3%	0.025	C	C	.	.	H	α-helix	trans	-68.3	-33.7	180	-64.6	172.9	0	0	0	112.1	S106 C109 L110 L141 T145 V174 A175 A181 R182 Y343 L346	S106-L178 WeakPolarHBondContact CB-O 3.42Å; C109-L178 HydrophobicContact CB-CD2 4.02Å; L110-L178 HydrophobicContact CD1-CB 4.41Å; L110-L178 HydrophobicContact CD1-CD1 3.89Å; L110-L178 HydrophobicContact CD2-CD1 4.04Å; L110-L178 HydrophobicContact CG-CD1 4.1Å; L141-L178 HydrophobicContact CD2-CD1 4.26Å; T145-L178 HydrophobicContact CG2-CB 3.76Å; V174-L178 HydrophobicContact CG1-CD1 3.95Å; V174-L178 WeakPolarHBondContact O-CG 3.39Å; V174-L178 PolarHBondContact O-N 2.82Å; A175-L178 PolarHBondContact O-N 3.34Å; L178-A181 PolarHBondContact O-N 3.2Å; L178-R182 VanDerWaalsContact O-CB 3.25Å; L178-R182 WeakPolarHBondContact O-CB 3.43Å; L178-R182 PolarHBondContact O-N 3.19Å; L178-Y343 HydrophobicContact CD2-CE1 4.07Å; L178-L346 HydrophobicContact CD1-CD1 3.94Å
179	A	98.9	Very high	98.4	Very high	0 Å²	0	3.8 Å²	3.8	0%	0	2%	0.022	C	C	.	.	H	α-helix	trans	-67.3	-42.2	177	0	0	0	0	0	111.1	T145 L148 L152 A175 S176 R182 I183	T145-A179 HydrophobicContact CG2-CB 4.2Å; T145-A179 WeakPolarHBondContact O-CB 3.36Å; L148-A179 HydrophobicContact CB-CB 3.57Å; L152-A179 HydrophobicContact CD1-CB 4.42Å; A175-A179 WeakPolarHBondContact O-CB 3.36Å; A175-A179 PolarHBondContact O-N 2.99Å; S176-A179 PolarHBondContact O-N 3.03Å; A179-R182 WeakPolarHBondContact O-CB 3.16Å; A179-R182 PolarHBondContact O-N 3.28Å; A179-I183 WeakPolarHBondContact O-CG1 3.4Å; A179-I183 PolarHBondContact O-N 2.92Å; A179-I183 VanDerWaalsContact O-N 3.07Å
180	C	98.9	Very high	98.2	Very high	0 Å²	0	3.7 Å²	3.7	0%	0	2%	0.021	C	C	.	.	H	α-helix	trans	-58.3	-51.6	172.5	-64.8	0	0	0	0	110.6	S176 M177 R182 I183 G184 A185 H187	S176-C180 PolarHBondContact O-N 2.95Å; S176-C180 PolarHBondContact O-SG 2.96Å; M177-C180 PolarHBondContact O-N 2.59Å; C180-R182 VanDerWaalsContact C-N 3.27Å; C180-R182 PolarHBondContact O-N 3.4Å; C180-I183 PolarHBondContact O-N 3.2Å; C180-G184 PolarHBondContact O-N 3.04Å; C180-A185 CarbonylContact C-O 3.48Å; C180-A185 VanDerWaalsContact C-O 3.26Å; C180-A185 HydrophobicContact CB-CB 4.22Å; C180-A185 PolarHBondContact O-N 2.99Å; C180-A185 VanDerWaalsContact O-O 3.06Å; C180-H187 HydrophobicContact CB-CB 3.88Å
181	A	98.8	Very high	97.6	Very high	0 Å²	0	3.9 Å²	3.9	0%	0	2%	0.021	C	C	.	.	H	α-helix	trans	-59.3	-36.8	176.6	0	0	0	0	0	112.7	N104 V105 M177 L178 G184 L284	N104-A181 PolarHBondContact ND2-O 3.26Å; V105-A181 HydrophobicContact CB-CB 4.27Å; V105-A181 HydrophobicContact CG1-CB 4.4Å; M177-A181 PolarHBondContact O-N 3.16Å; M177-A181 VanDerWaalsContact O-N 3.1Å; L178-A181 PolarHBondContact O-N 3.2Å; A181-G184 PolarHBondContact O-N 3.27Å; A181-L284 HydrophobicContact CB-CD1 3.58Å
182	R	98.9	Very high	96.7	Very high	8 Å²	8	4.2 Å²	4.2	3%	0.03	2%	0.024	C	C	.	.	H	α-helix	trans	-63.5	-44.2	178.9	-169.9	173.8	-168.3	84.3	0.1	111.9	N104 S106 D111 L178 A179 C180 C273 P275 A276	N104-R182 PolarHBondContact ND2-O 2.91Å; N104-R182 VanDerWaalsContact ND2-O 3.08Å; S106-R182 PolarHBondContact OG-NH1 2.66Å; D111-R182 IonicContact OD1-CZ 2.76Å; D111-R182 IonicContact OD1-NH1 2.79Å; D111-R182 PolarHBondContact OD1-NH1 2.71Å; D111-R182 IonicContact OD1-NH2 3.16Å; D111-R182 PolarHBondContact OD1-NH2 3.37Å; D111-R182 IonicContact OD2-CZ 2.69Å; D111-R182 IonicContact OD2-NH1 2.83Å; D111-R182 PolarHBondContact OD2-NH1 2.83Å; D111-R182 IonicContact OD2-NH2 3.77Å; L178-R182 VanDerWaalsContact O-CB 3.25Å; L178-R182 WeakPolarHBondContact O-CB 3.43Å; L178-R182 PolarHBondContact O-N 3.19Å; A179-R182 WeakPolarHBondContact O-CB 3.16Å; A179-R182 PolarHBondContact O-N 3.28Å; C180-R182 VanDerWaalsContact C-N 3.27Å; C180-R182 PolarHBondContact O-N 3.4Å; R182-C273 PolarHBondContact NE-O 3.03Å; R182-C273 PolarHBondContact NH2-O 2.84Å; R182-P275 HydrophobicContact CG-CB 4.24Å; R182-A276 PolarHBondContact O-N 3.49Å
183	I	98.8	Very high	95.5	Very high	6 Å²	6	2.7 Å²	2.7	3%	0.031	2%	0.017	C	C	.	.	H	α-helix	trans	-89.8	-3.6	-177.6	72	172.8	0	0	0	113.7	L152 R153 V157 A179 C180 A185	L152-I183 HydrophobicContact CB-CD1 3.67Å; L152-I183 HydrophobicContact CD1-CD1 4.16Å; R153-I183 HydrophobicContact CG-CB 4.36Å; R153-I183 HydrophobicContact CG-CD1 4.29Å; R153-I183 HydrophobicContact CG-CG2 4.12Å; V157-I183 HydrophobicContact CB-CD1 4.18Å; V157-I183 HydrophobicContact CG1-CD1 3.83Å; A179-I183 WeakPolarHBondContact O-CG1 3.4Å; A179-I183 PolarHBondContact O-N 2.92Å; A179-I183 VanDerWaalsContact O-N 3.07Å; C180-I183 PolarHBondContact O-N 3.2Å; I183-A185 HydrophobicContact CD1-CB 4.33Å; I183-A185 HydrophobicContact CG1-CB 4.06Å
184	G	98.6	Very high	94.3	Very high	1 Å²	1	3.3 Å²	3.3	1%	0.01	2%	0.02	C	C	.	.	T	Hydrogen-bonded Turn	trans	84.7	14.6	179.7	0	0	0	0	0	114.8	K159 G160 C180 A181 M278	K159-G184 CarbonylContact C-O 3.43Å; K159-G184 VanDerWaalsContact CA-O 3.31Å; K159-G184 WeakPolarHBondContact CA-O 3.35Å; G160-G184 PolarHBondContact N-O 2.85Å; C180-G184 PolarHBondContact O-N 3.04Å; A181-G184 PolarHBondContact O-N 3.27Å; G184-M278 VanDerWaalsContact CA-CE 3.46Å; G184-M278 WeakPolarHBondContact CA-SD 3.35Å
185	A	98.7	Very high	93.2	Very high	0 Å²	0	4.8 Å²	4.8	0%	0	3%	0.03	C	C	.	.	P	Polyproline II helix	trans	-80.6	149.4	168.9	0	0	0	0	0	110	V157 D161 V163 C180 I183	V157-A185 HydrophobicContact CG1-CB 3.79Å; D161-A185 CarbonylContact O-C 3.5Å; D161-A185 WeakPolarHBondContact O-CA 3.4Å; D161-A185 WeakPolarHBondContact O-CB 3.44Å; V163-A185 HydrophobicContact CG2-CB 4.36Å; C180-A185 CarbonylContact C-O 3.48Å; C180-A185 VanDerWaalsContact C-O 3.26Å; C180-A185 HydrophobicContact CB-CB 4.22Å; C180-A185 PolarHBondContact O-N 2.99Å; C180-A185 VanDerWaalsContact O-O 3.06Å; I183-A185 HydrophobicContact CD1-CB 4.33Å; I183-A185 HydrophobicContact CG1-CB 4.06Å
186	A	98.6	Very high	92.4	Very high	7 Å²	7	5.9 Å²	5.9	6%	0.058	4%	0.038	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.7	135.8	166.9	0	0	0	0	0	109.1	D161 C162 V163 V283 L284	D161-A186 PolarHBondContact O-N 3.31Å; C162-A186 CarbonylContact C-O 3.22Å; C162-A186 VanDerWaalsContact CA-O 3.25Å; C162-A186 WeakPolarHBondContact CA-O 3.33Å; V163-A186 PolarHBondContact N-O 3.48Å; A186-V283 HydrophobicContact CB-CB 4.34Å; A186-V283 HydrophobicContact CB-CG1 3.65Å; A186-L284 WeakPolarHBondContact CA-O 3.33Å
187	H	98.9	Very high	91.4	Very high	0 Å²	0	11.3 Å²	11.3	0%	0	6%	0.063	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.3	151.2	167.4	64.5	83.9	0	0	0	111.2	V163 I165 C180 L284 F285 L286 H338 Y343	V163-H187 CarbonylContact O-C 3.32Å; V163-H187 WeakPolarHBondContact O-CA 3.2Å; I165-H187 HydrophobicContact CD1-CB 3.81Å; C180-H187 HydrophobicContact CB-CB 3.88Å; H187-L284 PolarHBondContact N-O 3Å; H187-F285 WeakPolarHBondContact CE1-CB 3.44Å; H187-F285 AromaticContact CE1-CG 3.79Å; H187-F285 WeakPolarHBondContact NE2-CB 3.49Å; H187-F285 CarbonylContact O-C 3.27Å; H187-F285 VanDerWaalsContact O-CA 3.23Å; H187-F285 WeakPolarHBondContact O-CA 3.46Å; H187-F285 VanDerWaalsContact O-CB 3.3Å; H187-F285 WeakPolarHBondContact O-CB 3.41Å; H187-L286 PolarHBondContact O-N 2.95Å; H187-H338 AromaticContact CE1-CD2 3.74Å; H187-H338 AromaticContact CE1-NE2 3.57Å; H187-Y343 AromaticContact NE2-CZ 3.83Å; H187-Y343 PolarHBondContact NE2-OH 3.25Å
188	N	98.4	Very high	90.2	Very high	0 Å²	0	11.4 Å²	11.4	0%	0	6%	0.064	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.6	91.9	172.9	170.7	33.9	0	0	0	108.1	V163 T164 I165 A206 L286 Y288	V163-N188 PolarHBondContact O-N 2.91Å; T164-N188 CarbonylContact C-O 3.37Å; T164-N188 WeakPolarHBondContact CA-O 3.34Å; T164-N188 PolarHBondContact OG1-ND2 3.39Å; T164-N188 VanDerWaalsContact OG1-ND2 3.1Å; I165-N188 PolarHBondContact N-O 2.78Å; N188-A206 HydrophobicContact CB-CB 4.43Å; N188-L286 HydrophobicContact CB-CB 4.37Å; N188-Y288 WeakPolarHBondContact OD1-CD2 3.44Å; N188-Y288 WeakPolarHBondContact OD1-CE2 3.16Å
189	V	98.4	Very high	89.6	Confident	3 Å²	3	11.4 Å²	11.4	2%	0.018	6%	0.064	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-78.3	126.1	177.2	-175.3	0	0	0	0	109.2	I165 M177 I332	I165-V189 HydrophobicContact CB-CG2 4.21Å; I165-V189 HydrophobicContact CD1-CG2 4.28Å; I165-V189 WeakPolarHBondContact O-CA 3.4Å; M177-V189 HydrophobicContact CE-CG2 4.38Å; M177-V189 HydrophobicContact CG-CG2 3.84Å; M177-V189 HydrophobicContact SD-CG2 4.05Å; V189-I332 HydrophobicContact CG1-CD1 4.46Å; V189-I332 HydrophobicContact CG1-CG1 4.28Å
190	V	90	Very high	89.1	Confident	2 Å²	2	11.4 Å²	11.4	1%	0.012	6%	0.064	C	C	.	.			trans	-114.3	126.2	177.3	-177	0	0	0	0	108.4	T164 I165 Y166 A192 F194 L199 R202	T164-V190 HydrophobicContact CG2-CG2 3.98Å; I165-V190 PolarHBondContact O-N 2.93Å; Y166-V190 HydrophobicContact CD2-CB 4.04Å; Y166-V190 HydrophobicContact CD2-CG1 3.98Å; Y166-V190 HydrophobicContact CE2-CG1 4.31Å; V190-A192 PolarHBondContact O-N 2.94Å; V190-F194 HydrophobicContact CG1-CB 4.46Å; V190-F194 HydrophobicContact CG1-CD2 3.61Å; V190-F194 HydrophobicContact CG1-CE2 4.34Å; V190-F194 HydrophobicContact CG1-CG 4.49Å; V190-L199 HydrophobicContact CB-CD1 4Å; V190-L199 HydrophobicContact CG1-CD1 3.89Å; V190-L199 HydrophobicContact CG2-CD1 4.08Å; V190-R202 HydrophobicContact CG2-CB 4.11Å
191	F	83.8	Confident	88.4	Confident	13 Å²	13	15.8 Å²	15.8	6%	0.057	9%	0.085	C	C	.	.			trans	-53.6	124.3	-179.4	176	-123.2	0	0	0	111.2	Y166 G193 F194 D331 W334 R635	Y166-F191 VanDerWaalsContact CE2-O 3.29Å; Y166-F191 WeakPolarHBondContact CE2-O 3.34Å; F191-G193 PolarHBondContact O-N 2.93Å; F191-F194 HydrophobicContact CB-CD1 4.45Å; F191-F194 HydrophobicContact CB-CD2 4.3Å; F191-F194 HydrophobicContact CB-CE1 4.3Å; F191-F194 HydrophobicContact CB-CE2 4.14Å; F191-F194 HydrophobicContact CB-CG 4.44Å; F191-F194 HydrophobicContact CB-CZ 4.15Å; F191-F194 AromaticContact CD1-CD1 3.93Å; F191-F194 HydrophobicContact CD1-CD1 3.93Å; F191-F194 AromaticContact CD1-CE1 3.92Å; F191-F194 HydrophobicContact CD1-CE1 3.92Å; F191-F194 PolarHBondContact O-N 2.82Å; F191-D331 HydrophobicContact CD2-CB 4.35Å; F191-D331 WeakPolarHBondContact CD2-OD1 3.11Å; F191-D331 HydrophobicContact CE2-CB 4.15Å; F191-W334 HydrophobicContact CD1-CZ2 4.25Å; F191-W334 HydrophobicContact CG-CZ2 4.35Å; F191-R635 HydrophobicContact CE1-CB 3.99Å; F191-R635 HydrophobicContact CE1-CG 4.25Å; F191-R635 HydrophobicContact CZ-CB 3.91Å; F191-R635 HydrophobicContact CZ-CG 4.46Å
192	A	78.9	Confident	87.9	Confident	11 Å²	11	16.4 Å²	16.4	9%	0.091	9%	0.087	C	C	.	.	T	Hydrogen-bonded Turn	trans	-62.9	-0.7	-176.4	0	0	0	0	0	114.5	Y166 V190 L226	Y166-A192 PolarHBondContact OH-O 3.47Å; V190-A192 PolarHBondContact O-N 2.94Å; A192-L226 HydrophobicContact CB-CD1 4.06Å; A192-L226 HydrophobicContact CB-CD2 4.02Å; A192-L226 WeakPolarHBondContact O-CD2 3.47Å
193	G	74.8	Confident	87.8	Confident	5 Å²	5	16 Å²	16	5%	0.052	9%	0.086	C	C	.	.	T	Hydrogen-bonded Turn	trans	-94.9	-7.4	171.4	0	0	0	0	0	116.2	F191 R635	F191-G193 PolarHBondContact O-N 2.93Å; G193-R635 VanDerWaalsContact CA-CZ 3.49Å; G193-R635 VanDerWaalsContact O-CZ 3.31Å; G193-R635 PolarHBondContact O-NH2 3.36Å
194	F	72.9	Confident	87.6	Confident	13 Å²	13	20.5 Å²	20.5	6%	0.057	10%	0.102	C	C	.	.	S	Bend	trans	-73.2	154.1	179.6	-72.7	-13.9	0	0	0	113.2	Y166 V190 F191 A198 W334 T660	Y166-F194 PolarHBondContact OH-O 3.46Å; V190-F194 HydrophobicContact CG1-CB 4.46Å; V190-F194 HydrophobicContact CG1-CD2 3.61Å; V190-F194 HydrophobicContact CG1-CE2 4.34Å; V190-F194 HydrophobicContact CG1-CG 4.49Å; F191-F194 HydrophobicContact CB-CD1 4.45Å; F191-F194 HydrophobicContact CB-CD2 4.3Å; F191-F194 HydrophobicContact CB-CE1 4.3Å; F191-F194 HydrophobicContact CB-CE2 4.14Å; F191-F194 HydrophobicContact CB-CG 4.44Å; F191-F194 HydrophobicContact CB-CZ 4.15Å; F191-F194 AromaticContact CD1-CD1 3.93Å; F191-F194 HydrophobicContact CD1-CD1 3.93Å; F191-F194 AromaticContact CD1-CE1 3.92Å; F191-F194 HydrophobicContact CD1-CE1 3.92Å; F191-F194 PolarHBondContact O-N 2.82Å; F194-A198 HydrophobicContact CB-CB 3.99Å; F194-A198 HydrophobicContact CG-CB 4.32Å; F194-W334 HydrophobicContact CZ-CH2 4.29Å; F194-T660 HydrophobicContact CD1-CG2 3.71Å; F194-T660 HydrophobicContact CE1-CG2 3.28Å; F194-T660 HydrophobicContact CZ-CG2 4.26Å
195	S	75.8	Confident	87.4	Confident	31 Å²	31	23.4 Å²	23.4	22%	0.217	12%	0.117	C	C	.	.			trans	-70.6	170.7	175.9	80.5	0	0	0	0	112.8	E197 A198 L199	S195-E197 VanDerWaalsContact C-N 3.28Å; S195-E197 VanDerWaalsContact CB-OE2 3.27Å; S195-E197 WeakPolarHBondContact CB-OE2 3.38Å; S195-E197 PolarHBondContact O-N 2.7Å; S195-E197 PolarHBondContact OG-N 3.45Å; S195-E197 PolarHBondContact OG-OE2 3.4Å; S195-A198 PolarHBondContact O-N 3.32Å; S195-A198 PolarHBondContact OG-N 2.82Å; S195-L199 WeakPolarHBondContact O-CB 3.31Å; S195-L199 PolarHBondContact O-N 3.19Å
196	S	81.6	Confident	87.2	Confident	24 Å²	24	23.6 Å²	23.6	17%	0.168	12%	0.119	C	C	.	.	H	α-helix	trans	-58.8	-38.3	173.8	35.6	0	0	0	0	112.5	L199 A200 A233	S196-L199 PolarHBondContact O-N 2.66Å; S196-A200 WeakPolarHBondContact O-CB 3.36Å; S196-A200 PolarHBondContact O-N 3.06Å; S196-A233 VanDerWaalsContact O-CB 3.26Å; S196-A233 WeakPolarHBondContact O-CB 3.47Å
197	E	76.9	Confident	87.1	Confident	114 Å²	114	29.5 Å²	29.5	53%	0.533	15%	0.145	S	C	.	.	H	α-helix	trans	-68.9	-48.2	-179.6	-58.1	65.9	-133.1	0	0	110.4	S195 L199 A200 E201	S195-E197 VanDerWaalsContact C-N 3.28Å; S195-E197 VanDerWaalsContact CB-OE2 3.27Å; S195-E197 WeakPolarHBondContact CB-OE2 3.38Å; S195-E197 PolarHBondContact O-N 2.7Å; S195-E197 PolarHBondContact OG-N 3.45Å; S195-E197 PolarHBondContact OG-OE2 3.4Å; E197-L199 VanDerWaalsContact C-N 3.29Å; E197-L199 PolarHBondContact O-N 3.31Å; E197-A200 PolarHBondContact O-N 2.94Å; E197-E201 WeakPolarHBondContact O-CG 3.3Å; E197-E201 PolarHBondContact O-N 2.82Å
198	A	74.6	Confident	87	Confident	2 Å²	2	29.5 Å²	29.5	2%	0.017	15%	0.145	C	C	.	.	H	α-helix	trans	-62.6	-37.2	177.6	0	0	0	0	0	111.9	F194 S195 R202	F194-A198 HydrophobicContact CB-CB 3.99Å; F194-A198 HydrophobicContact CG-CB 4.32Å; S195-A198 PolarHBondContact O-N 3.32Å; S195-A198 PolarHBondContact OG-N 2.82Å; A198-R202 WeakPolarHBondContact O-CD 3.19Å; A198-R202 WeakPolarHBondContact O-CG 3.47Å; A198-R202 PolarHBondContact O-NH1 3.33Å
199	L	86.3	Confident	86.9	Confident	0 Å²	0	30.9 Å²	30.9	0%	0	16%	0.155	C	C	.	.	H	α-helix	trans	-65.5	-48.7	172	174.4	59.1	0	0	0	111.2	T164 Y166 V190 S195 S196 E197 E201 R202 I203 V230 A233	T164-L199 HydrophobicContact CG2-CD1 4.03Å; Y166-L199 HydrophobicContact CD1-CD2 4.04Å; Y166-L199 HydrophobicContact CD2-CD1 3.88Å; Y166-L199 HydrophobicContact CD2-CD2 4.08Å; Y166-L199 HydrophobicContact CD2-CG 4.48Å; Y166-L199 HydrophobicContact CE1-CD2 4.28Å; Y166-L199 HydrophobicContact CE2-CD2 4.29Å; Y166-L199 HydrophobicContact CG-CD1 4.16Å; Y166-L199 HydrophobicContact CG-CD2 3.94Å; V190-L199 HydrophobicContact CB-CD1 4Å; V190-L199 HydrophobicContact CG1-CD1 3.89Å; V190-L199 HydrophobicContact CG2-CD1 4.08Å; S195-L199 WeakPolarHBondContact O-CB 3.31Å; S195-L199 PolarHBondContact O-N 3.19Å; S196-L199 PolarHBondContact O-N 2.66Å; E197-L199 VanDerWaalsContact C-N 3.29Å; E197-L199 PolarHBondContact O-N 3.31Å; L199-E201 VanDerWaalsContact C-N 3.35Å; L199-E201 PolarHBondContact O-N 3.22Å; L199-R202 PolarHBondContact O-N 2.66Å; L199-R202 VanDerWaalsContact O-N 3.16Å; L199-I203 HydrophobicContact CD1-CD1 3.84Å; L199-I203 HydrophobicContact CD1-CG1 4.07Å; L199-I203 HydrophobicContact CD2-CD1 4.41Å; L199-I203 HydrophobicContact CG-CD1 3.75Å; L199-I203 HydrophobicContact CG-CG1 4.39Å; L199-I203 WeakPolarHBondContact O-CG1 3.33Å; L199-I203 PolarHBondContact O-N 2.88Å; L199-V230 HydrophobicContact CD2-CG2 3.96Å; L199-A233 HydrophobicContact CB-CB 4.11Å; L199-A233 HydrophobicContact CD2-CB 3.72Å; L199-A233 HydrophobicContact CG-CB 3.85Å
200	A	89.3	Confident	86.9	Confident	0 Å²	0	30.7 Å²	30.7	0%	0	15%	0.154	C	C	.	.	H	α-helix	trans	-62.5	-39.5	-177.5	0	0	0	0	0	112.9	S196 E197 R202 I203 R204 A233 S236	S196-A200 WeakPolarHBondContact O-CB 3.36Å; S196-A200 PolarHBondContact O-N 3.06Å; E197-A200 PolarHBondContact O-N 2.94Å; A200-R202 VanDerWaalsContact C-N 3.3Å; A200-R202 PolarHBondContact O-N 2.98Å; A200-I203 PolarHBondContact O-N 3.44Å; A200-R204 WeakPolarHBondContact O-CB 3.37Å; A200-R204 WeakPolarHBondContact O-CG 3.35Å; A200-R204 PolarHBondContact O-N 2.7Å; A200-A233 HydrophobicContact CB-CB 4.02Å; A200-S236 VanDerWaalsContact CB-OG 3.26Å; A200-S236 WeakPolarHBondContact CB-OG 3.22Å
201	E	83.3	Confident	87.4	Confident	92 Å²	92	30.6 Å²	30.6	43%	0.43	15%	0.153	S	C	.	.	H	α-helix	trans	-57.4	-44	174	-75.8	-177.5	174.9	0	0	112.3	E197 L199 R204 D205	E197-E201 WeakPolarHBondContact O-CG 3.3Å; E197-E201 PolarHBondContact O-N 2.82Å; L199-E201 VanDerWaalsContact C-N 3.35Å; L199-E201 PolarHBondContact O-N 3.22Å; E201-R204 PolarHBondContact O-N 2.86Å; E201-D205 WeakPolarHBondContact O-CB 3.49Å; E201-D205 PolarHBondContact O-N 2.83Å
202	R	89.2	Confident	88.1	Confident	13 Å²	13	30 Å²	30	5%	0.049	15%	0.151	C	C	.	.	H	α-helix	trans	-70.9	-39.9	-180	-67	168.7	172.4	68.8	-1.6	111.7	V190 A198 L199 A200 R204 A206 Y288	V190-R202 HydrophobicContact CG2-CB 4.11Å; A198-R202 WeakPolarHBondContact O-CD 3.19Å; A198-R202 WeakPolarHBondContact O-CG 3.47Å; A198-R202 PolarHBondContact O-NH1 3.33Å; L199-R202 PolarHBondContact O-N 2.66Å; L199-R202 VanDerWaalsContact O-N 3.16Å; A200-R202 VanDerWaalsContact C-N 3.3Å; A200-R202 PolarHBondContact O-N 2.98Å; R202-R204 VanDerWaalsContact C-N 3.35Å; R202-A206 WeakPolarHBondContact O-CB 3.25Å; R202-A206 PolarHBondContact O-N 2.86Å; R202-Y288 HydrophobicContact CB-CD2 3.94Å; R202-Y288 HydrophobicContact CB-CE2 4.08Å; R202-Y288 HydrophobicContact CB-CG 4.24Å; R202-Y288 HydrophobicContact CG-CD1 4.01Å; R202-Y288 HydrophobicContact CG-CD2 3.83Å; R202-Y288 HydrophobicContact CG-CE2 4.37Å; R202-Y288 HydrophobicContact CG-CG 3.63Å
203	I	96.2	Very high	89	Confident	0 Å²	0	29.5 Å²	29.5	0%	0	15%	0.146	C	C	.	.	H	α-helix	trans	-59.6	-46.8	174.2	-71	170.1	0	0	0	110.6	T164 L199 A200 Q207 S208 V211 C237 V240	T164-I203 HydrophobicContact CG2-CD1 4.46Å; T164-I203 HydrophobicContact CG2-CG1 3.87Å; L199-I203 HydrophobicContact CD1-CD1 3.84Å; L199-I203 HydrophobicContact CD1-CG1 4.07Å; L199-I203 HydrophobicContact CD2-CD1 4.41Å; L199-I203 HydrophobicContact CG-CD1 3.75Å; L199-I203 HydrophobicContact CG-CG1 4.39Å; L199-I203 WeakPolarHBondContact O-CG1 3.33Å; L199-I203 PolarHBondContact O-N 2.88Å; A200-I203 PolarHBondContact O-N 3.44Å; I203-Q207 WeakPolarHBondContact O-CA 3.49Å; I203-Q207 PolarHBondContact O-N 2.85Å; I203-S208 PolarHBondContact O-N 3.14Å; I203-V211 HydrophobicContact CD1-CG2 3.91Å; I203-V211 HydrophobicContact CG1-CG2 4.44Å; I203-C237 HydrophobicContact CG2-CB 3.65Å; I203-V240 HydrophobicContact CG2-CG2 3.46Å; I203-V240 VanDerWaalsContact CG2-CG2 3.46Å
204	R	95.3	Very high	90.1	Very high	100 Å²	100	29.4 Å²	29.4	38%	0.377	15%	0.145	S	C	.	.	H	α-helix	trans	-65.2	-46	-179.4	-77	-170	-65.3	-87.2	-2.1	112.2	A200 E201 R202 Q207 S236	A200-R204 WeakPolarHBondContact O-CB 3.37Å; A200-R204 WeakPolarHBondContact O-CG 3.35Å; A200-R204 PolarHBondContact O-N 2.7Å; E201-R204 PolarHBondContact O-N 2.86Å; R202-R204 VanDerWaalsContact C-N 3.35Å; R204-Q207 PolarHBondContact O-N 3.26Å; R204-Q207 VanDerWaalsContact O-N 3.15Å; R204-S236 WeakPolarHBondContact CD-O 3.27Å; R204-S236 PolarHBondContact NH1-O 3.16Å; R204-S236 PolarHBondContact NH1-OG 3.29Å
205	D	92.9	Very high	91.3	Very high	62 Å²	62	28.8 Å²	28.8	33%	0.332	14%	0.142	S	C	.	.	H	α-helix	trans	-66.6	-39.5	-178.9	-172.7	82.7	0	0	0	111.7	E201 Q207 Y288 H506 N507	E201-D205 WeakPolarHBondContact O-CB 3.49Å; E201-D205 PolarHBondContact O-N 2.83Å; D205-Q207 PolarHBondContact O-N 2.97Å; D205-Y288 HydrophobicContact CB-CE1 3.95Å; D205-Y288 WeakPolarHBondContact CB-OH 3.19Å; D205-Y288 WeakPolarHBondContact OD2-CE1 3.4Å; D205-Y288 VanDerWaalsContact OD2-CZ 3.28Å; D205-Y288 PolarHBondContact OD2-OH 3.43Å; D205-H506 PolarHBondContact O-CD2 2.86Å; D205-H506 VanDerWaalsContact O-CD2 3.32Å; D205-H506 PolarHBondContact O-NE2 2.66Å; D205-H506 IonicContact OD2-CD2 2.7Å; D205-N507 PolarHBondContact O-ND2 2.78Å
206	A	95.6	Very high	92.3	Very high	4 Å²	4	28 Å²	28	3%	0.033	14%	0.135	C	C	.	.	T	Hydrogen-bonded Turn	trans	-75.7	-7.5	174.6	0	0	0	0	0	113.4	C162 N188 R202 S208 L286 Y288	C162-A206 WeakPolarHBondContact CB-O 3.41Å; N188-A206 HydrophobicContact CB-CB 4.43Å; R202-A206 WeakPolarHBondContact O-CB 3.25Å; R202-A206 PolarHBondContact O-N 2.86Å; A206-S208 PolarHBondContact O-N 2.97Å; A206-S208 VanDerWaalsContact O-N 3.13Å; A206-L286 HydrophobicContact CB-CD1 3.83Å; A206-Y288 WeakPolarHBondContact CA-OH 3.04Å; A206-Y288 HydrophobicContact CB-CE2 4.2Å; A206-Y288 PolarHBondContact N-OH 3.08Å
207	Q	95.7	Very high	92.9	Very high	130 Å²	130	27.1 Å²	27.1	61%	0.607	13%	0.13	S	C	*	.	T	Hydrogen-bonded Turn	trans	49.6	35.9	-173.9	-54.8	-171.2	-60.4	0	0	113.3	I203 R204 D205 S209	I203-Q207 WeakPolarHBondContact O-CA 3.49Å; I203-Q207 PolarHBondContact O-N 2.85Å; R204-Q207 PolarHBondContact O-N 3.26Å; R204-Q207 VanDerWaalsContact O-N 3.15Å; D205-Q207 PolarHBondContact O-N 2.97Å; Q207-S209 PolarHBondContact O-N 2.76Å
208	S	97	Very high	93.8	Very high	0 Å²	0	22.1 Å²	22.1	0%	0	11%	0.107	C	C	.	.			trans	-65.2	133.4	-175.9	-59	0	0	0	0	111.2	C162 T164 I203 A206 T239	C162-S208 WeakPolarHBondContact O-CA 3.31Å; C162-S208 WeakPolarHBondContact O-CB 3.3Å; C162-S208 PolarHBondContact O-OG 3.33Å; T164-S208 WeakPolarHBondContact OG1-CB 3.47Å; T164-S208 PolarHBondContact OG1-OG 2.91Å; I203-S208 PolarHBondContact O-N 3.14Å; A206-S208 PolarHBondContact O-N 2.97Å; A206-S208 VanDerWaalsContact O-N 3.13Å; S208-T239 PolarHBondContact O-OG1 2.78Å
209	S	96.9	Very high	94.6	Very high	29 Å²	29	27.1 Å²	27.1	20%	0.203	13%	0.126	C	C	.	.	S	Bend	trans	-95.1	-16.8	174.2	64.9	0	0	0	0	113	Q207 T239 R241 Q242	Q207-S209 PolarHBondContact O-N 2.76Å; S209-T239 WeakPolarHBondContact CA-O 3.37Å; S209-R241 PolarHBondContact O-N 3.29Å; S209-Q242 PolarHBondContact O-N 2.91Å
210	T	98.8	Very high	94.8	Very high	0 Å²	0	28 Å²	28	0%	0	14%	0.135	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.6	134.4	-175.5	-57.6	0	0	0	0	109.6	L152 V163 T164 Q242 F244	L152-T210 HydrophobicContact CD2-CG2 3.99Å; V163-T210 HydrophobicContact CG1-CG2 4.03Å; T164-T210 PolarHBondContact N-O 3.23Å; T210-Q242 WeakPolarHBondContact CA-O 3.16Å; T210-Q242 HydrophobicContact CG2-CG 3.96Å; T210-Q242 PolarHBondContact OG1-NE2 3.41Å; T210-F244 HydrophobicContact CG2-CD2 3.74Å; T210-F244 HydrophobicContact CG2-CE2 3.69Å
211	V	98.8	Very high	95	Very high	0 Å²	0	30 Å²	30	0%	0	16%	0.156	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119	136.3	171.1	-179.1	0	0	0	0	109	T164 I203 V230 V234 V240 Q242 V243 F244	T164-V211 HydrophobicContact CG2-CG1 4.5Å; T164-V211 CarbonylContact O-C 3.5Å; T164-V211 VanDerWaalsContact O-CA 3.28Å; T164-V211 WeakPolarHBondContact O-CA 3.41Å; I203-V211 HydrophobicContact CD1-CG2 3.91Å; I203-V211 HydrophobicContact CG1-CG2 4.44Å; V211-V230 HydrophobicContact CG1-CG1 3.98Å; V211-V230 HydrophobicContact CG1-CG2 4.41Å; V211-V234 HydrophobicContact CG2-CG1 4.47Å; V211-V240 HydrophobicContact CG2-CG1 3.99Å; V211-V240 HydrophobicContact CG2-CG2 4.07Å; V211-Q242 PolarHBondContact N-O 3.09Å; V211-Q242 VanDerWaalsContact N-O 3.09Å; V211-V243 HydrophobicContact CB-CG1 4.41Å; V211-V243 HydrophobicContact CB-CG2 4.35Å; V211-V243 CarbonylContact O-C 3.56Å; V211-V243 VanDerWaalsContact O-CA 3.29Å; V211-V243 WeakPolarHBondContact O-CA 3.45Å; V211-F244 PolarHBondContact O-N 2.93Å
212	I	98.9	Very high	95.3	Very high	0 Å²	0	33.1 Å²	33.1	0%	0	17%	0.168	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.5	128	171.7	-49.1	177.1	0	0	0	108.2	L152 V163 T164 Y166 M167 F244 L262	L152-I212 HydrophobicContact CD2-CD1 4.29Å; V163-I212 HydrophobicContact CG1-CD1 3.84Å; V163-I212 HydrophobicContact CG1-CG1 3.96Å; T164-I212 PolarHBondContact O-N 3.43Å; Y166-I212 PolarHBondContact N-O 2.85Å; M167-I212 HydrophobicContact CE-CB 4.22Å; M167-I212 HydrophobicContact CE-CG2 3.57Å; M167-I212 HydrophobicContact SD-CG2 4.13Å; I212-F244 WeakPolarHBondContact CA-O 3.33Å; I212-F244 HydrophobicContact CG1-CB 4.37Å; I212-F244 HydrophobicContact CG1-CD2 4.31Å; I212-F244 HydrophobicContact CG2-CB 4.27Å; I212-L262 HydrophobicContact CG2-CD2 3.87Å
213	T	98.7	Very high	95.5	Very high	0 Å²	0	36.6 Å²	36.6	0%	0	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-144.4	177.8	-179.4	-162.2	0	0	0	0	111.7	Y166 K227 V230 V243 F244 V245 A246	Y166-T213 WeakPolarHBondContact O-CA 3.29Å; Y166-T213 WeakPolarHBondContact O-CB 3.39Å; Y166-T213 PolarHBondContact O-OG1 3.22Å; T213-K227 HydrophobicContact CG2-CD 4.36Å; T213-V230 HydrophobicContact CG2-CB 4.44Å; T213-V230 HydrophobicContact CG2-CG2 3.89Å; T213-V243 HydrophobicContact CG2-CG1 4.2Å; T213-F244 PolarHBondContact N-O 3.37Å; T213-V245 HydrophobicContact CG2-CG1 4.38Å; T213-V245 HydrophobicContact CG2-CG2 4.22Å; T213-V245 WeakPolarHBondContact O-CA 3.17Å; T213-A246 PolarHBondContact O-N 3.45Å
214	V	98.1	Very high	95	Very high	4 Å²	4	39 Å²	39	2%	0.024	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.8	161.1	167.4	-58.8	0	0	0	0	109.7	M167 P168 Q216 L226 K227 A246 R248	M167-V214 HydrophobicContact CG-CG1 4.01Å; M167-V214 HydrophobicContact SD-CG1 3.76Å; P168-V214 HydrophobicContact CG-CG2 4.39Å; V214-Q216 WeakPolarHBondContact CG2-O 3.31Å; V214-Q216 PolarHBondContact O-N 3.43Å; V214-L226 HydrophobicContact CG2-CD1 3.6Å; V214-L226 WeakPolarHBondContact O-CB 3.42Å; V214-K227 PolarHBondContact O-N 2.88Å; V214-A246 CarbonylContact C-O 3.55Å; V214-A246 WeakPolarHBondContact CA-O 3.48Å; V214-A246 HydrophobicContact CG1-CB 3.87Å; V214-R248 HydrophobicContact CB-CB 4.18Å; V214-R248 HydrophobicContact CG2-CB 4.27Å
215	N	97.6	Very high	95	Very high	0 Å²	0	37.8 Å²	37.8	0%	0	20%	0.2	C	C	.	.	S	Bend	trans	-56.2	-52.1	176.3	64.3	-22	0	0	0	112	L226 K227 A246 M247 R248 T249 K251 V253	N215-L226 PolarHBondContact O-N 3.32Å; N215-K227 PolarHBondContact O-N 3.46Å; N215-K227 VanDerWaalsContact O-N 3.14Å; N215-A246 PolarHBondContact N-O 3.28Å; N215-M247 HydrophobicContact CB-CE 4.43Å; N215-M247 HydrophobicContact CB-SD 3.84Å; N215-M247 VanDerWaalsContact ND2-CE 3.28Å; N215-M247 WeakPolarHBondContact ND2-CE 3.36Å; N215-R248 PolarHBondContact OD1-N 2.59Å; N215-T249 PolarHBondContact ND2-O 3.47Å; N215-T249 PolarHBondContact ND2-OG1 3Å; N215-T249 VanDerWaalsContact ND2-OG1 3.14Å; N215-T249 PolarHBondContact OD1-N 2.96Å; N215-K251 PolarHBondContact ND2-O 3.16Å; N215-V253 HydrophobicContact CB-CG1 3.58Å; N215-V253 HydrophobicContact CB-CG2 4.38Å
216	Q	97.4	Very high	95.1	Very high	13 Å²	13	34.9 Å²	34.9	6%	0.061	18%	0.184	C	C	.	.			trans	-143.1	144.9	-177.4	-66.2	-176.3	-35.6	0	0	111.9	V214 I223 T224 E225 R248 T249	V214-Q216 WeakPolarHBondContact CG2-O 3.31Å; V214-Q216 PolarHBondContact O-N 3.43Å; Q216-I223 HydrophobicContact CB-CG2 4.03Å; Q216-I223 VanDerWaalsContact CD-CG2 3.41Å; Q216-I223 HydrophobicContact CG-CG2 4.04Å; Q216-T224 CarbonylContact C-O 3.42Å; Q216-T224 WeakPolarHBondContact CA-O 3.41Å; Q216-E225 WeakPolarHBondContact CG-OE2 3.49Å; Q216-E225 PolarHBondContact NE2-OE1 2.95Å; Q216-E225 PolarHBondContact NE2-OE2 2.93Å; Q216-R248 WeakPolarHBondContact O-CB 3.14Å; Q216-R248 VanDerWaalsContact O-CG 3.3Å; Q216-R248 WeakPolarHBondContact O-CG 3.28Å; Q216-T249 HydrophobicContact CB-CG2 3.93Å; Q216-T249 PolarHBondContact OE1-OG1 2.97Å
217	G	93.8	Very high	95.2	Very high	7 Å²	7	34.7 Å²	34.7	7%	0.072	18%	0.183	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.2	142.1	166.8	0	0	0	0	0	111	I223 T224	G217-I223 CarbonylContact O-C 3.53Å; G217-I223 WeakPolarHBondContact O-CA 3.34Å; G217-T224 PolarHBondContact N-O 3.23Å; G217-T224 PolarHBondContact O-N 3.09Å
218	V	95.6	Very high	95.1	Very high	8 Å²	8	37.5 Å²	37.5	5%	0.048	19%	0.188	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.3	122	172.7	-170.7	0	0	0	0	108.1	D128 K222 I223 R248 T249 E356	D128-V218 HydrophobicContact CB-CB 4.3Å; D128-V218 HydrophobicContact CB-CG1 3.71Å; V218-K222 WeakPolarHBondContact CA-O 3.25Å; V218-I223 HydrophobicContact CB-CD1 4.37Å; V218-I223 HydrophobicContact CG1-CD1 4.2Å; V218-I223 HydrophobicContact CG2-CD1 3.75Å; V218-R248 HydrophobicContact CG2-CG 4.17Å; V218-T249 HydrophobicContact CG2-CG2 3.73Å; V218-E356 WeakPolarHBondContact O-CG 3.49Å
219	R	90.9	Very high	94.9	Very high	107 Å²	107	39 Å²	39	40%	0.404	20%	0.197	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-154.9	122.8	179.4	-174.4	167.1	-174.4	-100.7	6.7	112.2	G221 K222 E356 S357 T358	R219-G221 VanDerWaalsContact C-N 3.29Å; R219-G221 PolarHBondContact O-N 3.34Å; R219-K222 PolarHBondContact N-O 3.1Å; R219-K222 WeakPolarHBondContact O-CB 3.38Å; R219-K222 PolarHBondContact O-N 3.37Å; R219-K222 VanDerWaalsContact O-N 3.07Å; R219-E356 WeakPolarHBondContact CG-O 3.29Å; R219-S357 PolarHBondContact NE-O 3.05Å; R219-T358 HydrophobicContact CG-CG2 3.83Å
220	G	91.8	Very high	94.9	Very high	18 Å²	18	37.6 Å²	37.6	19%	0.186	19%	0.187	C	C	.	.	T	Hydrogen-bonded Turn	trans	60.5	36.7	-179.8	0	0	0	0	0	113.2	D128 K222	D128-G220 VanDerWaalsContact CG-N 3.34Å; D128-G220 PolarHBondContact OD1-N 3.13Å; D128-G220 PolarHBondContact OD2-N 3.33Å; G220-K222 PolarHBondContact O-N 3.2Å
221	G	92.8	Very high	94.8	Very high	43 Å²	43	39 Å²	39	44%	0.443	20%	0.195	S	C	.	.	T	Hydrogen-bonded Turn	trans	72.5	3.8	-173.8	0	0	0	0	0	114.8	D128 R219	D128-G221 WeakPolarHBondContact OD2-CA 3.42Å; D128-G221 PolarHBondContact OD2-N 3.26Å; R219-G221 VanDerWaalsContact C-N 3.29Å; R219-G221 PolarHBondContact O-N 3.34Å
222	K	89.3	Confident	94.6	Very high	157 Å²	157	41 Å²	41	68%	0.683	21%	0.211	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-103	143.9	179.4	-61.1	-176.1	-179	-179.2	0	111.4	V218 R219 G220	V218-K222 WeakPolarHBondContact CA-O 3.25Å; R219-K222 PolarHBondContact N-O 3.1Å; R219-K222 WeakPolarHBondContact O-CB 3.38Å; R219-K222 PolarHBondContact O-N 3.37Å; R219-K222 VanDerWaalsContact O-N 3.07Å; G220-K222 PolarHBondContact O-N 3.2Å
223	I	93.4	Very high	94.3	Very high	86 Å²	86	41.1 Å²	41.1	44%	0.441	21%	0.212	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.4	134.9	175.6	-58.6	-59.8	0	0	0	109.9	Q216 G217 V218 T249	Q216-I223 HydrophobicContact CB-CG2 4.03Å; Q216-I223 VanDerWaalsContact CD-CG2 3.41Å; Q216-I223 HydrophobicContact CG-CG2 4.04Å; G217-I223 CarbonylContact O-C 3.53Å; G217-I223 WeakPolarHBondContact O-CA 3.34Å; V218-I223 HydrophobicContact CB-CD1 4.37Å; V218-I223 HydrophobicContact CG1-CD1 4.2Å; V218-I223 HydrophobicContact CG2-CD1 3.75Å; I223-T249 HydrophobicContact CD1-CG2 4.42Å
224	T	86.7	Confident	94.2	Very high	50 Å²	50	41.5 Å²	41.5	31%	0.307	21%	0.214	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.8	126.7	172.3	-55	0	0	0	0	109.9	Q216 G217 L226	Q216-T224 CarbonylContact C-O 3.42Å; Q216-T224 WeakPolarHBondContact CA-O 3.41Å; G217-T224 PolarHBondContact N-O 3.23Å; G217-T224 PolarHBondContact O-N 3.09Å; T224-L226 HydrophobicContact CG2-CD2 3.73Å; T224-L226 HydrophobicContact CG2-CG 4.45Å; T224-L226 PolarHBondContact O-N 3.16Å
225	E	93.9	Very high	94.1	Very high	75 Å²	75	49.2 Å²	49.2	35%	0.35	25%	0.25	S	S	.	.			trans	-78.8	76.2	-177.6	-59	-66.4	167.1	0	0	112.2	Q216 R228 T229	Q216-E225 WeakPolarHBondContact CG-OE2 3.49Å; Q216-E225 PolarHBondContact NE2-OE1 2.95Å; Q216-E225 PolarHBondContact NE2-OE2 2.93Å; E225-R228 HydrophobicContact CB-CB 3.88Å; E225-R228 PolarHBondContact O-N 3.22Å; E225-T229 PolarHBondContact O-N 3.41Å; E225-T229 PolarHBondContact O-OG1 2.91Å
226	L	94.7	Very high	93.8	Very high	1 Å²	1	51.9 Å²	51.9	1%	0.005	27%	0.268	C	S	.	.	H	α-helix	trans	-66.5	-43.1	-172.1	-63	-179.4	0	0	0	113.1	Y166 P168 A192 V214 N215 T224 R228 T229 V230	Y166-L226 HydrophobicContact CD1-CB 4.39Å; Y166-L226 HydrophobicContact CD1-CD2 4.43Å; Y166-L226 HydrophobicContact CE1-CB 4.09Å; Y166-L226 HydrophobicContact CE1-CD2 3.61Å; Y166-L226 HydrophobicContact CE1-CG 4.38Å; P168-L226 HydrophobicContact CG-CD1 4.49Å; A192-L226 HydrophobicContact CB-CD1 4.06Å; A192-L226 HydrophobicContact CB-CD2 4.02Å; A192-L226 WeakPolarHBondContact O-CD2 3.47Å; V214-L226 HydrophobicContact CG2-CD1 3.6Å; V214-L226 WeakPolarHBondContact O-CB 3.42Å; N215-L226 PolarHBondContact O-N 3.32Å; T224-L226 HydrophobicContact CG2-CD2 3.73Å; T224-L226 HydrophobicContact CG2-CG 4.45Å; T224-L226 PolarHBondContact O-N 3.16Å; L226-R228 VanDerWaalsContact C-N 3.29Å; L226-R228 PolarHBondContact O-N 3.09Å; L226-T229 WeakPolarHBondContact O-CB 3.41Å; L226-T229 PolarHBondContact O-N 2.57Å; L226-T229 VanDerWaalsContact O-N 3.11Å; L226-V230 WeakPolarHBondContact O-CG2 3.37Å; L226-V230 PolarHBondContact O-N 2.83Å
227	K	97.7	Very high	93.8	Very high	1 Å²	1	51.2 Å²	51.2	0%	0.004	27%	0.266	C	S	.	.	H	α-helix	trans	-59.3	-40.5	175.9	176.6	54.7	163.5	62.6	0	111.9	T213 V214 N215 T229 V230 D231 V245 V253 E254 D259	T213-K227 HydrophobicContact CG2-CD 4.36Å; V214-K227 PolarHBondContact O-N 2.88Å; N215-K227 PolarHBondContact O-N 3.46Å; N215-K227 VanDerWaalsContact O-N 3.14Å; K227-T229 VanDerWaalsContact C-N 3.31Å; K227-T229 PolarHBondContact O-N 3.42Å; K227-V230 WeakPolarHBondContact O-CB 3.28Å; K227-V230 PolarHBondContact O-N 3.16Å; K227-V230 VanDerWaalsContact O-N 3.12Å; K227-D231 WeakPolarHBondContact CE-OD1 3.44Å; K227-D231 IonicContact NZ-OD1 3.35Å; K227-D231 PolarHBondContact NZ-OD1 2.77Å; K227-D231 IonicContact NZ-OD2 3.57Å; K227-D231 PolarHBondContact NZ-OD2 2.83Å; K227-D231 VanDerWaalsContact O-CG 3.27Å; K227-D231 PolarHBondContact O-N 3.36Å; K227-V245 HydrophobicContact CB-CG1 4.49Å; K227-V245 HydrophobicContact CD-CG1 4.26Å; K227-V245 HydrophobicContact CD-CG2 3.76Å; K227-V245 VanDerWaalsContact CE-CG2 3.43Å; K227-V245 HydrophobicContact CG-CG1 4.39Å; K227-V253 HydrophobicContact CB-CB 4.37Å; K227-V253 HydrophobicContact CB-CG1 4.03Å; K227-V253 HydrophobicContact CG-CB 3.94Å; K227-V253 HydrophobicContact CG-CG1 4.18Å; K227-V253 HydrophobicContact CG-CG2 4.08Å; K227-E254 PolarHBondContact NZ-O 3.2Å; K227-D259 VanDerWaalsContact CE-CG 3.48Å; K227-D259 WeakPolarHBondContact CE-OD1 3.14Å; K227-D259 WeakPolarHBondContact CE-OD2 3.41Å; K227-D259 IonicContact NZ-OD1 2.78Å; K227-D259 IonicContact NZ-OD2 3.67Å; K227-D259 PolarHBondContact NZ-OD2 2.81Å
228	R	95.3	Very high	93.7	Very high	189 Å²	189	56.9 Å²	56.9	71%	0.713	30%	0.301	S	S	*	.	H	α-helix	trans	-61.1	-40.4	175.9	-174.1	-179.4	178.3	-178.1	0	111.9	E225 L226 V230 D231 A232	E225-R228 HydrophobicContact CB-CB 3.88Å; E225-R228 PolarHBondContact O-N 3.22Å; L226-R228 VanDerWaalsContact C-N 3.29Å; L226-R228 PolarHBondContact O-N 3.09Å; R228-V230 VanDerWaalsContact C-N 3.35Å; R228-D231 PolarHBondContact O-N 3.26Å; R228-A232 PolarHBondContact O-N 3.05Å; R228-A232 VanDerWaalsContact O-N 3.12Å
229	T	91.1	Very high	93.7	Very high	30 Å²	30	59 Å²	59	18%	0.184	31%	0.314	C	S	.	.	H	α-helix	trans	-64	-41.2	174.7	-56.7	0	0	0	0	111.5	Y166 E225 L226 K227 A232 A233	Y166-T229 HydrophobicContact CE1-CG2 4.11Å; Y166-T229 WeakPolarHBondContact OH-CG2 3.33Å; E225-T229 PolarHBondContact O-N 3.41Å; E225-T229 PolarHBondContact O-OG1 2.91Å; L226-T229 WeakPolarHBondContact O-CB 3.41Å; L226-T229 PolarHBondContact O-N 2.57Å; L226-T229 VanDerWaalsContact O-N 3.11Å; K227-T229 VanDerWaalsContact C-N 3.31Å; K227-T229 PolarHBondContact O-N 3.42Å; T229-A232 PolarHBondContact O-N 2.73Å; T229-A233 WeakPolarHBondContact O-CB 3.36Å; T229-A233 PolarHBondContact O-N 2.81Å
230	V	97.9	Very high	94	Very high	0 Å²	0	54.2 Å²	54.2	0%	0	30%	0.296	C	S	.	.	H	α-helix	trans	-62.4	-46	175	176.4	0	0	0	0	110.9	Y166 L199 V211 T213 L226 K227 R228 A232 A233 V234 V243	Y166-V230 HydrophobicContact CD1-CG2 3.61Å; Y166-V230 HydrophobicContact CE1-CG2 4.28Å; Y166-V230 HydrophobicContact CG-CG2 4.37Å; L199-V230 HydrophobicContact CD2-CG2 3.96Å; V211-V230 HydrophobicContact CG1-CG1 3.98Å; V211-V230 HydrophobicContact CG1-CG2 4.41Å; T213-V230 HydrophobicContact CG2-CB 4.44Å; T213-V230 HydrophobicContact CG2-CG2 3.89Å; L226-V230 WeakPolarHBondContact O-CG2 3.37Å; L226-V230 PolarHBondContact O-N 2.83Å; K227-V230 WeakPolarHBondContact O-CB 3.28Å; K227-V230 PolarHBondContact O-N 3.16Å; K227-V230 VanDerWaalsContact O-N 3.12Å; R228-V230 VanDerWaalsContact C-N 3.35Å; V230-A232 VanDerWaalsContact C-N 3.32Å; V230-A232 PolarHBondContact O-N 2.97Å; V230-A233 WeakPolarHBondContact O-CB 3.25Å; V230-A233 PolarHBondContact O-N 3.2Å; V230-V234 HydrophobicContact CG1-CG1 3.86Å; V230-V234 WeakPolarHBondContact O-CG1 3.34Å; V230-V234 WeakPolarHBondContact O-CG2 3.2Å; V230-V234 PolarHBondContact O-N 3.11Å; V230-V243 HydrophobicContact CG1-CG1 3.86Å; V230-V243 HydrophobicContact CG1-CG2 4.33Å
231	D	97.3	Very high	94.3	Very high	31 Å²	31	62.9 Å²	62.9	17%	0.166	32%	0.324	C	S	.	.	H	α-helix	trans	-58	-43.9	179.7	-69	-23.7	0	0	0	112.2	K227 R228 Q235	K227-D231 WeakPolarHBondContact CE-OD1 3.44Å; K227-D231 IonicContact NZ-OD1 3.35Å; K227-D231 PolarHBondContact NZ-OD1 2.77Å; K227-D231 IonicContact NZ-OD2 3.57Å; K227-D231 PolarHBondContact NZ-OD2 2.83Å; K227-D231 VanDerWaalsContact O-CG 3.27Å; K227-D231 PolarHBondContact O-N 3.36Å; R228-D231 PolarHBondContact O-N 3.26Å; D231-Q235 WeakPolarHBondContact O-CG 3.26Å
232	A	93.9	Very high	94.5	Very high	42 Å²	42	61.7 Å²	61.7	35%	0.347	31%	0.306	S	S	.	.	H	α-helix	trans	-65.2	-41.6	174.3	0	0	0	0	0	112.1	R228 T229 V230	R228-A232 PolarHBondContact O-N 3.05Å; R228-A232 VanDerWaalsContact O-N 3.12Å; T229-A232 PolarHBondContact O-N 2.73Å; V230-A232 VanDerWaalsContact C-N 3.32Å; V230-A232 PolarHBondContact O-N 2.97Å
233	A	92.6	Very high	94.9	Very high	1 Å²	1	54.2 Å²	54.2	1%	0.008	27%	0.274	C	S	.	.	H	α-helix	trans	-64.3	-48.9	-179.7	0	0	0	0	0	112.2	S196 L199 A200 T229 V230 Q235 S236 C237	S196-A233 VanDerWaalsContact O-CB 3.26Å; S196-A233 WeakPolarHBondContact O-CB 3.47Å; L199-A233 HydrophobicContact CB-CB 4.11Å; L199-A233 HydrophobicContact CD2-CB 3.72Å; L199-A233 HydrophobicContact CG-CB 3.85Å; A200-A233 HydrophobicContact CB-CB 4.02Å; T229-A233 WeakPolarHBondContact O-CB 3.36Å; T229-A233 PolarHBondContact O-N 2.81Å; V230-A233 WeakPolarHBondContact O-CB 3.25Å; V230-A233 PolarHBondContact O-N 3.2Å; A233-Q235 PolarHBondContact O-N 2.83Å; A233-S236 PolarHBondContact O-N 3.46Å; A233-S236 PolarHBondContact O-OG 3.46Å; A233-C237 PolarHBondContact O-SG 2.87Å; A233-C237 VanDerWaalsContact O-SG 3.4Å
234	V	96.8	Very high	95.2	Very high	8 Å²	8	50.1 Å²	50.1	5%	0.048	25%	0.253	C	S	.	.	H	α-helix	trans	-69.2	-17.6	-172.3	-60	0	0	0	0	113.6	V211 V230 S236 C237 V240 V243	V211-V234 HydrophobicContact CG2-CG1 4.47Å; V230-V234 HydrophobicContact CG1-CG1 3.86Å; V230-V234 WeakPolarHBondContact O-CG1 3.34Å; V230-V234 WeakPolarHBondContact O-CG2 3.2Å; V230-V234 PolarHBondContact O-N 3.11Å; V234-S236 PolarHBondContact O-N 3.07Å; V234-C237 PolarHBondContact O-N 3.16Å; V234-C237 VanDerWaalsContact O-N 3.09Å; V234-V240 HydrophobicContact CB-CG1 4.48Å; V234-V240 HydrophobicContact CG1-CB 4.32Å; V234-V240 HydrophobicContact CG1-CG1 3.99Å; V234-V240 HydrophobicContact CG1-CG2 4.27Å; V234-V243 HydrophobicContact CG1-CG2 4.35Å
235	Q	95.1	Very high	95.8	Very high	167 Å²	167	48.2 Å²	48.2	78%	0.78	24%	0.241	S	C	*	.	T	Hydrogen-bonded Turn	trans	-57.2	-31.1	169.6	-72.5	171.2	21.9	0	0	112.2	D231 A233	D231-Q235 WeakPolarHBondContact O-CG 3.26Å; A233-Q235 PolarHBondContact O-N 2.83Å
236	S	92.1	Very high	96	Very high	55 Å²	55	44.7 Å²	44.7	39%	0.385	23%	0.225	S	C	.	.	T	Hydrogen-bonded Turn	trans	-101.6	13.6	178.6	70.5	0	0	0	0	113.7	A200 R204 A233 V234	A200-S236 VanDerWaalsContact CB-OG 3.26Å; A200-S236 WeakPolarHBondContact CB-OG 3.22Å; R204-S236 WeakPolarHBondContact CD-O 3.27Å; R204-S236 PolarHBondContact NH1-O 3.16Å; R204-S236 PolarHBondContact NH1-OG 3.29Å; A233-S236 PolarHBondContact O-N 3.46Å; A233-S236 PolarHBondContact O-OG 3.46Å; V234-S236 PolarHBondContact O-N 3.07Å
237	C	96.4	Very high	96.1	Very high	0 Å²	0	48.9 Å²	48.9	0%	0	25%	0.246	C	C	.	.			trans	-128.3	80.9	-177.4	-58.9	0	0	0	0	110.9	I203 A233 V234 T239 V240	I203-C237 HydrophobicContact CG2-CB 3.65Å; A233-C237 PolarHBondContact O-SG 2.87Å; A233-C237 VanDerWaalsContact O-SG 3.4Å; V234-C237 PolarHBondContact O-N 3.16Å; V234-C237 VanDerWaalsContact O-N 3.09Å; C237-T239 PolarHBondContact O-N 2.87Å; C237-T239 VanDerWaalsContact O-N 3.08Å; C237-V240 HydrophobicContact CB-CG2 3.8Å; C237-V240 PolarHBondContact O-N 3Å; C237-V240 VanDerWaalsContact O-N 3.11Å
238	P	93	Very high	95.9	Very high	125 Å²	125	50.4 Å²	50.4	81%	0.812	25%	0.251	S	S	*	.	T	Hydrogen-bonded Turn	trans	-66	-14.3	-175.5	27.9	-36.1	0	0	0	113.9	V240	P238-V240 VanDerWaalsContact C-N 3.31Å
239	T	94.9	Very high	96	Very high	52 Å²	52	42.8 Å²	42.8	32%	0.319	23%	0.226	S	C	.	.	T	Hydrogen-bonded Turn	trans	-72.1	-25.2	175.7	55.4	0	0	0	0	112.7	S208 S209 C237 R241	S208-T239 PolarHBondContact O-OG1 2.78Å; S209-T239 WeakPolarHBondContact CA-O 3.37Å; C237-T239 PolarHBondContact O-N 2.87Å; C237-T239 VanDerWaalsContact O-N 3.08Å; T239-R241 PolarHBondContact O-N 3.45Å
240	V	97.7	Very high	96.2	Very high	7 Å²	7	50.7 Å²	50.7	4%	0.042	26%	0.261	C	S	.	.			trans	-74.1	114.4	-176.1	-179.6	0	0	0	0	109.8	I203 V211 V234 C237 P238 V243	I203-V240 HydrophobicContact CG2-CG2 3.46Å; I203-V240 VanDerWaalsContact CG2-CG2 3.46Å; V211-V240 HydrophobicContact CG2-CG1 3.99Å; V211-V240 HydrophobicContact CG2-CG2 4.07Å; V234-V240 HydrophobicContact CB-CG1 4.48Å; V234-V240 HydrophobicContact CG1-CB 4.32Å; V234-V240 HydrophobicContact CG1-CG1 3.99Å; V234-V240 HydrophobicContact CG1-CG2 4.27Å; C237-V240 HydrophobicContact CB-CG2 3.8Å; C237-V240 PolarHBondContact O-N 3Å; C237-V240 VanDerWaalsContact O-N 3.11Å; P238-V240 VanDerWaalsContact C-N 3.31Å; V240-V243 HydrophobicContact CG1-CG2 4.02Å
241	R	97	Very high	96	Very high	201 Å²	201	56.3 Å²	56.3	76%	0.758	29%	0.285	S	S	*	.			trans	-99	-25.3	-179.8	-61.4	-179.5	-175.1	175.7	0.8	112.5	S209 T239	S209-R241 PolarHBondContact O-N 3.29Å; T239-R241 PolarHBondContact O-N 3.45Å
242	Q	97.8	Very high	95.8	Very high	17 Å²	17	65.7 Å²	65.7	8%	0.079	32%	0.318	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-151	145.3	-175.1	64	-156	-3.5	0	0	112.3	H155 S209 T210 V211 F244 R258 F260	H155-Q242 VanDerWaalsContact CB-OE1 3.32Å; H155-Q242 PolarHBondContact ND1-OE1 2.92Å; H155-Q242 PolarHBondContact O-NE2 3.2Å; S209-Q242 PolarHBondContact O-N 2.91Å; T210-Q242 WeakPolarHBondContact CA-O 3.16Å; T210-Q242 HydrophobicContact CG2-CG 3.96Å; T210-Q242 PolarHBondContact OG1-NE2 3.41Å; V211-Q242 PolarHBondContact N-O 3.09Å; V211-Q242 VanDerWaalsContact N-O 3.09Å; Q242-F244 HydrophobicContact CG-CE2 4.08Å; Q242-R258 CarbonylContact C-O 3.57Å; Q242-R258 VanDerWaalsContact CA-O 3.31Å; Q242-R258 WeakPolarHBondContact CA-O 3.43Å; Q242-F260 HydrophobicContact CB-CD2 4.03Å; Q242-F260 HydrophobicContact CB-CE2 3.75Å
243	V	98.7	Very high	95.7	Very high	0 Å²	0	65.5 Å²	65.5	0%	0	31%	0.313	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128	118.2	176.5	-177.1	0	0	0	0	108.1	V211 T213 V230 V234 V240 V245 R258 D259 F260	V211-V243 HydrophobicContact CB-CG1 4.41Å; V211-V243 HydrophobicContact CB-CG2 4.35Å; V211-V243 CarbonylContact O-C 3.56Å; V211-V243 VanDerWaalsContact O-CA 3.29Å; V211-V243 WeakPolarHBondContact O-CA 3.45Å; T213-V243 HydrophobicContact CG2-CG1 4.2Å; V230-V243 HydrophobicContact CG1-CG1 3.86Å; V230-V243 HydrophobicContact CG1-CG2 4.33Å; V234-V243 HydrophobicContact CG1-CG2 4.35Å; V240-V243 HydrophobicContact CG1-CG2 4.02Å; V243-V245 HydrophobicContact CG1-CG2 3.94Å; V243-R258 PolarHBondContact N-O 3.48Å; V243-D259 WeakPolarHBondContact CB-OD1 3.36Å; V243-D259 CarbonylContact O-C 3.26Å; V243-D259 WeakPolarHBondContact O-CA 3.22Å; V243-F260 PolarHBondContact O-N 3.44Å
244	F	98.8	Very high	95.6	Very high	1 Å²	1	73.4 Å²	73.4	0%	0.004	35%	0.349	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.4	126.9	172.9	-66.1	-73.2	0	0	0	109.5	L151 L152 H155 T210 V211 I212 T213 Q242 F260 L262	L151-F244 HydrophobicContact CD1-CE1 3.9Å; L151-F244 HydrophobicContact CD1-CZ 4.22Å; L151-F244 HydrophobicContact CD2-CD1 4Å; L151-F244 HydrophobicContact CD2-CE1 3.84Å; L151-F244 HydrophobicContact CD2-CZ 4.32Å; L151-F244 HydrophobicContact CG-CE1 3.93Å; L151-F244 HydrophobicContact CG-CZ 4.05Å; L152-F244 HydrophobicContact CD2-CD2 4.35Å; L152-F244 HydrophobicContact CD2-CE2 3.96Å; H155-F244 HydrophobicContact CB-CZ 3.95Å; H155-F244 AromaticContact CD2-CZ 3.9Å; H155-F244 AromaticContact CG-CZ 3.58Å; H155-F244 AromaticContact ND1-CZ 3.68Å; T210-F244 HydrophobicContact CG2-CD2 3.74Å; T210-F244 HydrophobicContact CG2-CE2 3.69Å; V211-F244 PolarHBondContact O-N 2.93Å; I212-F244 WeakPolarHBondContact CA-O 3.33Å; I212-F244 HydrophobicContact CG1-CB 4.37Å; I212-F244 HydrophobicContact CG1-CD2 4.31Å; I212-F244 HydrophobicContact CG2-CB 4.27Å; T213-F244 PolarHBondContact N-O 3.37Å; Q242-F244 HydrophobicContact CG-CE2 4.08Å; F244-F260 WeakPolarHBondContact CA-O 3.29Å; F244-F260 HydrophobicContact CD1-CB 3.63Å; F244-F260 HydrophobicContact CD1-CG 4.43Å; F244-F260 HydrophobicContact CE1-CB 3.76Å; F244-F260 HydrophobicContact CE1-CD2 4.3Å; F244-F260 HydrophobicContact CE1-CG 4.13Å; F244-L262 HydrophobicContact CB-CB 4.24Å; F244-L262 HydrophobicContact CB-CD1 3.74Å; F244-L262 HydrophobicContact CB-CG 4.42Å; F244-L262 HydrophobicContact CD1-CD1 4.17Å; F244-L262 HydrophobicContact CG-CD1 4.08Å
245	V	98.5	Very high	95.4	Very high	9 Å²	9	78.1 Å²	78.1	6%	0.055	38%	0.378	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.9	116.3	-173.3	-169.6	0	0	0	0	109.3	T213 K227 V243 V253 F260 L262	T213-V245 HydrophobicContact CG2-CG1 4.38Å; T213-V245 HydrophobicContact CG2-CG2 4.22Å; T213-V245 WeakPolarHBondContact O-CA 3.17Å; K227-V245 HydrophobicContact CB-CG1 4.49Å; K227-V245 HydrophobicContact CD-CG1 4.26Å; K227-V245 HydrophobicContact CD-CG2 3.76Å; K227-V245 VanDerWaalsContact CE-CG2 3.43Å; K227-V245 HydrophobicContact CG-CG1 4.39Å; V243-V245 HydrophobicContact CG1-CG2 3.94Å; V245-V253 HydrophobicContact CG1-CG2 4.34Å; V245-F260 PolarHBondContact N-O 2.91Å; V245-L262 PolarHBondContact O-N 3.15Å
246	A	97.9	Very high	95.3	Very high	1 Å²	1	73.2 Å²	73.2	1%	0.008	36%	0.359	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.5	158.8	171.8	0	0	0	0	0	112.4	L172 T213 V214 N215 L262 E263	L172-A246 HydrophobicContact CD1-CB 3.72Å; T213-A246 PolarHBondContact O-N 3.45Å; V214-A246 CarbonylContact C-O 3.55Å; V214-A246 WeakPolarHBondContact CA-O 3.48Å; V214-A246 HydrophobicContact CG1-CB 3.87Å; N215-A246 PolarHBondContact N-O 3.28Å; A246-L262 HydrophobicContact CB-CB 4.16Å; A246-L262 HydrophobicContact CB-CD2 3.83Å; A246-E263 WeakPolarHBondContact CA-OE1 3.47Å; A246-E263 WeakPolarHBondContact CA-OE2 3.33Å; A246-E263 WeakPolarHBondContact CB-OE1 3.25Å
247	M	96.8	Very high	95.3	Very high	90 Å²	90	78.8 Å²	78.8	44%	0.443	39%	0.385	S	S	.	.			trans	-105.5	100.2	-178.5	-62.3	-62	-72.1	0	0	111.1	N215 K251 E263	N215-M247 HydrophobicContact CB-CE 4.43Å; N215-M247 HydrophobicContact CB-SD 3.84Å; N215-M247 VanDerWaalsContact ND2-CE 3.28Å; N215-M247 WeakPolarHBondContact ND2-CE 3.36Å; M247-K251 VanDerWaalsContact CE-O 3.3Å; M247-K251 WeakPolarHBondContact CE-O 3.33Å; M247-E263 PolarHBondContact N-OE1 3.47Å
248	R	95.4	Very high	95.2	Very high	32 Å²	32	83.6 Å²	83.6	12%	0.121	40%	0.403	C	S	.	.	S	Bend	trans	-84.8	-28	172.4	173	58.5	-174.2	85.1	-4.3	112.7	E129 V214 N215 Q216 V218 E356	E129-R248 IonicContact OE2-NH2 2.64Å; V214-R248 HydrophobicContact CB-CB 4.18Å; V214-R248 HydrophobicContact CG2-CB 4.27Å; N215-R248 PolarHBondContact OD1-N 2.59Å; Q216-R248 WeakPolarHBondContact O-CB 3.14Å; Q216-R248 VanDerWaalsContact O-CG 3.3Å; Q216-R248 WeakPolarHBondContact O-CG 3.28Å; V218-R248 HydrophobicContact CG2-CG 4.17Å; R248-E356 IonicContact CZ-OE1 2.56Å; R248-E356 IonicContact CZ-OE2 3.34Å; R248-E356 IonicContact NE-OE1 2.64Å; R248-E356 PolarHBondContact NE-OE1 3.01Å; R248-E356 IonicContact NE-OE2 3.63Å; R248-E356 PolarHBondContact NE-OE2 2.84Å; R248-E356 IonicContact NH2-OE1 3.37Å; R248-E356 IonicContact NH2-OE2 3.07Å; R248-E356 PolarHBondContact NH2-OE2 3.47Å
249	T	95.9	Very high	95.4	Very high	29 Å²	29	78.3 Å²	78.3	18%	0.178	37%	0.368	C	S	.	.	S	Bend	trans	-127.5	169.5	175.3	72.8	0	0	0	0	110.4	N215 Q216 V218 I223 K251	N215-T249 PolarHBondContact ND2-O 3.47Å; N215-T249 PolarHBondContact ND2-OG1 3Å; N215-T249 VanDerWaalsContact ND2-OG1 3.14Å; N215-T249 PolarHBondContact OD1-N 2.96Å; Q216-T249 HydrophobicContact CB-CG2 3.93Å; Q216-T249 PolarHBondContact OE1-OG1 2.97Å; V218-T249 HydrophobicContact CG2-CG2 3.73Å; I223-T249 HydrophobicContact CD1-CG2 4.42Å; T249-K251 PolarHBondContact O-N 3.43Å; T249-K251 WeakPolarHBondContact OG1-CB 3.4Å; T249-K251 PolarHBondContact OG1-N 3.45Å
250	E	94.9	Very high	95.6	Very high	196 Å²	196	78.6 Å²	78.6	92%	0.916	37%	0.365	S	S	*	.	S	Bend	trans	-75.9	-3.1	176.3	-59.8	-177	170.2	0	0	113.5	R252	E250-R252 PolarHBondContact O-N 2.68Å; E250-R252 VanDerWaalsContact O-N 3.17Å
251	K	94.9	Very high	95.6	Very high	119 Å²	119	80.2 Å²	80.2	52%	0.517	38%	0.379	S	S	.	.			trans	-67.1	116.9	-179.4	-175.9	77.4	178.9	-173.1	0	109.8	N215 M247 T249	N215-K251 PolarHBondContact ND2-O 3.16Å; M247-K251 VanDerWaalsContact CE-O 3.3Å; M247-K251 WeakPolarHBondContact CE-O 3.33Å; T249-K251 PolarHBondContact O-N 3.43Å; T249-K251 WeakPolarHBondContact OG1-CB 3.4Å; T249-K251 PolarHBondContact OG1-N 3.45Å
252	R	92.2	Very high	95.6	Very high	228 Å²	228	70.7 Å²	70.7	86%	0.86	34%	0.343	S	S	*	.			trans	-65.2	140.1	169.5	-62.9	-175.1	-178.7	-173.8	-0.9	110.5	E250	E250-R252 PolarHBondContact O-N 2.68Å; E250-R252 VanDerWaalsContact O-N 3.17Å
253	V	92.6	Very high	95.5	Very high	38 Å²	38	72.9 Å²	72.9	23%	0.23	35%	0.353	C	S	.	.			trans	-114.5	158.2	177.7	-68.8	0	0	0	0	110.4	N215 K227 V245	N215-V253 HydrophobicContact CB-CG1 3.58Å; N215-V253 HydrophobicContact CB-CG2 4.38Å; K227-V253 HydrophobicContact CB-CB 4.37Å; K227-V253 HydrophobicContact CB-CG1 4.03Å; K227-V253 HydrophobicContact CG-CB 3.94Å; K227-V253 HydrophobicContact CG-CG1 4.18Å; K227-V253 HydrophobicContact CG-CG2 4.08Å; V245-V253 HydrophobicContact CG1-CG2 4.34Å
254	E	90.9	Very high	95.4	Very high	166 Å²	166	79.2 Å²	79.2	78%	0.776	38%	0.383	S	S	*	.			trans	-68.2	134.4	170.7	-66.3	-179.4	179.9	0	0	109.6	K227	K227-E254 PolarHBondContact NZ-O 3.2Å
255	V	91.3	Very high	95.4	Very high	108 Å²	108	80.2 Å²	80.2	66%	0.655	39%	0.388	S	S	*	.			trans	-117.8	130.5	-177.5	-178.6	0	0	0	0	107.5	D259	V255-D259 HydrophobicContact CG1-CB 3.75Å
256	T	92.6	Very high	95.3	Very high	63 Å²	63	80.4 Å²	80.4	39%	0.387	39%	0.388	S	S	.	.			trans	-110	171.5	175.6	65.1	0	0	0	0	110.2	R258 D259	T256-R258 PolarHBondContact O-N 3.34Å; T256-R258 VanDerWaalsContact OG1-CG 3.22Å; T256-R258 WeakPolarHBondContact OG1-CG 3.48Å; T256-D259 WeakPolarHBondContact CB-OD2 3.34Å; T256-D259 PolarHBondContact N-OD2 2.87Å; T256-D259 WeakPolarHBondContact O-CB 3.4Å; T256-D259 PolarHBondContact O-N 3.45Å; T256-D259 PolarHBondContact OG1-OD2 2.9Å
257	D	92.6	Very high	95.3	Very high	173 Å²	173	86.8 Å²	86.8	93%	0.925	42%	0.421	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.4	-12.6	-178.8	-61.7	-25.2	0	0	0	114.6
258	R	95.3	Very high	95.4	Very high	100 Å²	100	88.9 Å²	88.9	38%	0.377	43%	0.428	S	S	.	.	T	Hydrogen-bonded Turn	trans	-96.9	-6.3	175.4	65.8	-177.5	70.8	-178.4	1	113.3	Q242 V243 T256 F260	Q242-R258 CarbonylContact C-O 3.57Å; Q242-R258 VanDerWaalsContact CA-O 3.31Å; Q242-R258 WeakPolarHBondContact CA-O 3.43Å; V243-R258 PolarHBondContact N-O 3.48Å; T256-R258 PolarHBondContact O-N 3.34Å; T256-R258 VanDerWaalsContact OG1-CG 3.22Å; T256-R258 WeakPolarHBondContact OG1-CG 3.48Å; R258-F260 WeakPolarHBondContact O-CD2 3.44Å; R258-F260 WeakPolarHBondContact O-CE2 3.18Å
259	D	97.8	Very high	95.5	Very high	14 Å²	14	88.8 Å²	88.8	8%	0.075	43%	0.429	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.2	130.9	-174.4	-63	-36.4	0	0	0	110.6	K227 V243 V255 T256	K227-D259 VanDerWaalsContact CE-CG 3.48Å; K227-D259 WeakPolarHBondContact CE-OD1 3.14Å; K227-D259 WeakPolarHBondContact CE-OD2 3.41Å; K227-D259 IonicContact NZ-OD1 2.78Å; K227-D259 IonicContact NZ-OD2 3.67Å; K227-D259 PolarHBondContact NZ-OD2 2.81Å; V243-D259 WeakPolarHBondContact CB-OD1 3.36Å; V243-D259 CarbonylContact O-C 3.26Å; V243-D259 WeakPolarHBondContact O-CA 3.22Å; V255-D259 HydrophobicContact CG1-CB 3.75Å; T256-D259 WeakPolarHBondContact CB-OD2 3.34Å; T256-D259 PolarHBondContact N-OD2 2.87Å; T256-D259 WeakPolarHBondContact O-CB 3.4Å; T256-D259 PolarHBondContact O-N 3.45Å; T256-D259 PolarHBondContact OG1-OD2 2.9Å
260	F	98.1	Very high	95.6	Very high	59 Å²	59	92.2 Å²	92.2	26%	0.259	45%	0.446	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.7	132.3	179.9	-62.3	-87.1	0	0	0	110.2	H155 Q242 V243 F244 V245 R258 L262 E265	H155-F260 AromaticContact CE1-CD1 3.84Å; H155-F260 AromaticContact CE1-CE1 3.71Å; H155-F260 AromaticContact CE1-CZ 3.82Å; Q242-F260 HydrophobicContact CB-CD2 4.03Å; Q242-F260 HydrophobicContact CB-CE2 3.75Å; V243-F260 PolarHBondContact O-N 3.44Å; F244-F260 WeakPolarHBondContact CA-O 3.29Å; F244-F260 HydrophobicContact CD1-CB 3.63Å; F244-F260 HydrophobicContact CD1-CG 4.43Å; F244-F260 HydrophobicContact CE1-CB 3.76Å; F244-F260 HydrophobicContact CE1-CD2 4.3Å; F244-F260 HydrophobicContact CE1-CG 4.13Å; V245-F260 PolarHBondContact N-O 2.91Å; R258-F260 WeakPolarHBondContact O-CD2 3.44Å; R258-F260 WeakPolarHBondContact O-CE2 3.18Å; F260-L262 PolarHBondContact O-N 3.43Å; F260-E265 HydrophobicContact CB-CG 4.12Å
261	A	97.3	Very high	95.7	Very high	41 Å²	41	85.1 Å²	85.1	34%	0.339	42%	0.416	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-69.3	110.4	175.1	0	0	0	0	0	109.7	E263 E264 E265	A261-E263 PolarHBondContact O-N 3.5Å; A261-E264 HydrophobicContact CB-CB 4.14Å; A261-E264 HydrophobicContact CB-CG 4.16Å; A261-E264 PolarHBondContact O-N 3.37Å; A261-E265 WeakPolarHBondContact O-CB 2.98Å; A261-E265 WeakPolarHBondContact O-CG 3.4Å; A261-E265 PolarHBondContact O-N 3.03Å
262	L	97.7	Very high	95.9	Very high	0 Å²	0	83.6 Å²	83.6	0%	0	42%	0.417	C	S	.	.	H	α-helix	trans	-62.4	-49	-165.4	178.7	60.5	0	0	0	112.2	L148 L151 I212 F244 V245 A246 F260 E264 E265 M266	L148-L262 HydrophobicContact CD2-CD1 3.48Å; L148-L262 VanDerWaalsContact CD2-CD1 3.48Å; L148-L262 HydrophobicContact CD2-CD2 4.33Å; L148-L262 HydrophobicContact CD2-CG 4.26Å; L151-L262 HydrophobicContact CD2-CD1 3.64Å; I212-L262 HydrophobicContact CG2-CD2 3.87Å; F244-L262 HydrophobicContact CB-CB 4.24Å; F244-L262 HydrophobicContact CB-CD1 3.74Å; F244-L262 HydrophobicContact CB-CG 4.42Å; F244-L262 HydrophobicContact CD1-CD1 4.17Å; F244-L262 HydrophobicContact CG-CD1 4.08Å; V245-L262 PolarHBondContact O-N 3.15Å; A246-L262 HydrophobicContact CB-CB 4.16Å; A246-L262 HydrophobicContact CB-CD2 3.83Å; F260-L262 PolarHBondContact O-N 3.43Å; L262-E264 PolarHBondContact O-N 2.96Å; L262-E265 PolarHBondContact O-N 3.46Å; L262-M266 HydrophobicContact CD1-CG 4.13Å; L262-M266 HydrophobicContact CD1-SD 4Å; L262-M266 HydrophobicContact CG-CG 4.46Å; L262-M266 HydrophobicContact CG-SD 3.87Å; L262-M266 WeakPolarHBondContact O-CB 3.36Å; L262-M266 WeakPolarHBondContact O-CG 3.45Å; L262-M266 PolarHBondContact O-N 2.99Å
263	E	95.8	Very high	96.2	Very high	63 Å²	63	72.8 Å²	72.8	29%	0.294	38%	0.376	S	S	.	.	H	α-helix	trans	-64.4	-42.6	-177.7	-61.8	88.3	161	0	0	111.6	A246 M247 A261 M266 L267	A246-E263 WeakPolarHBondContact CA-OE1 3.47Å; A246-E263 WeakPolarHBondContact CA-OE2 3.33Å; A246-E263 WeakPolarHBondContact CB-OE1 3.25Å; M247-E263 PolarHBondContact N-OE1 3.47Å; A261-E263 PolarHBondContact O-N 3.5Å; E263-M266 PolarHBondContact O-N 3.44Å; E263-L267 WeakPolarHBondContact O-CG 3.09Å; E263-L267 PolarHBondContact O-N 2.98Å; E263-L267 VanDerWaalsContact O-N 3.09Å
264	E	96.6	Very high	96.5	Very high	134 Å²	134	77.6 Å²	77.6	63%	0.626	40%	0.396	S	S	*	.	H	α-helix	trans	-64.9	-40.5	178.3	-64	-177	-170	0	0	112	A261 L262 L267	A261-E264 HydrophobicContact CB-CB 4.14Å; A261-E264 HydrophobicContact CB-CG 4.16Å; A261-E264 PolarHBondContact O-N 3.37Å; L262-E264 PolarHBondContact O-N 2.96Å; E264-L267 PolarHBondContact O-N 3.22Å
265	E	98	Very high	96.8	Very high	22 Å²	22	71.7 Å²	71.7	10%	0.103	37%	0.372	C	S	.	.	H	α-helix	trans	-68.7	-39.1	176	-73.1	-56.6	130.1	0	0	112.2	L151 R154 F260 A261 L262 L267 K268	L151-E265 HydrophobicContact CD1-CB 3.66Å; L151-E265 HydrophobicContact CD1-CG 4.44Å; L151-E265 HydrophobicContact CD2-CB 4Å; R154-E265 IonicContact CZ-OE2 2.83Å; R154-E265 IonicContact NH1-OE2 3.46Å; R154-E265 PolarHBondContact NH1-OE2 2.62Å; R154-E265 IonicContact NH2-OE2 3.17Å; R154-E265 PolarHBondContact NH2-OE2 2.99Å; F260-E265 HydrophobicContact CB-CG 4.12Å; A261-E265 WeakPolarHBondContact O-CB 2.98Å; A261-E265 WeakPolarHBondContact O-CG 3.4Å; A261-E265 PolarHBondContact O-N 3.03Å; L262-E265 PolarHBondContact O-N 3.46Å; E265-L267 VanDerWaalsContact C-N 3.3Å; E265-L267 PolarHBondContact O-N 2.83Å; E265-K268 WeakPolarHBondContact O-CB 3.41Å; E265-K268 PolarHBondContact O-N 3.07Å; E265-K268 IonicContact OE1-NZ 3.53Å; E265-K268 PolarHBondContact OE1-NZ 2.77Å; E265-K268 IonicContact OE2-NZ 2.67Å
266	M	97.8	Very high	97.2	Very high	13 Å²	13	67.5 Å²	67.5	6%	0.064	35%	0.349	C	S	.	.	H	α-helix	trans	-63.8	-32.3	176.1	-75.9	173.9	60.7	0	0	113.3	I144 R147 L148 L151 L172 L262 E263 K268 E269	I144-M266 HydrophobicContact CB-CE 4.46Å; I144-M266 HydrophobicContact CG2-CE 3.77Å; R147-M266 HydrophobicContact CB-CB 4.26Å; R147-M266 HydrophobicContact CB-CE 4.15Å; R147-M266 PolarHBondContact NH1-O 2.69Å; L148-M266 HydrophobicContact CD1-CE 4.21Å; L148-M266 HydrophobicContact CD1-SD 4.27Å; L148-M266 HydrophobicContact CD2-CE 4.23Å; L148-M266 HydrophobicContact CD2-CG 3.86Å; L148-M266 HydrophobicContact CD2-SD 3.41Å; L148-M266 WeakPolarHBondContact CD2-SD 3.31Å; L148-M266 HydrophobicContact CG-CE 3.69Å; L148-M266 HydrophobicContact CG-CG 4.15Å; L148-M266 HydrophobicContact CG-SD 3.58Å; L148-M266 VanDerWaalsContact CG-SD 3.58Å; L151-M266 HydrophobicContact CD2-CG 3.91Å; L172-M266 HydrophobicContact CD2-CE 4.32Å; L172-M266 HydrophobicContact CD2-SD 4.21Å; L262-M266 HydrophobicContact CD1-CG 4.13Å; L262-M266 HydrophobicContact CD1-SD 4Å; L262-M266 HydrophobicContact CG-CG 4.46Å; L262-M266 HydrophobicContact CG-SD 3.87Å; L262-M266 WeakPolarHBondContact O-CB 3.36Å; L262-M266 WeakPolarHBondContact O-CG 3.45Å; L262-M266 PolarHBondContact O-N 2.99Å; E263-M266 PolarHBondContact O-N 3.44Å; M266-K268 PolarHBondContact O-N 2.89Å; M266-E269 PolarHBondContact O-N 3.43Å
267	L	97	Very high	97.4	Very high	134 Å²	134	66.5 Å²	66.5	70%	0.702	35%	0.347	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64.9	-20.5	177.5	-74.6	172	0	0	0	112.8	R147 E263 E264 E265 E269	R147-L267 PolarHBondContact NH1-O 2.8Å; E263-L267 WeakPolarHBondContact O-CG 3.09Å; E263-L267 PolarHBondContact O-N 2.98Å; E263-L267 VanDerWaalsContact O-N 3.09Å; E264-L267 PolarHBondContact O-N 3.22Å; E265-L267 VanDerWaalsContact C-N 3.3Å; E265-L267 PolarHBondContact O-N 2.83Å; L267-E269 VanDerWaalsContact C-N 3.33Å
268	K	98.1	Very high	97.7	Very high	134 Å²	134	58.4 Å²	58.4	58%	0.583	30%	0.303	S	S	*	.	T	Hydrogen-bonded Turn	trans	-80.9	-13.5	177.9	-57.7	171.9	-170.9	174	0	113.3	E265 M266	E265-K268 WeakPolarHBondContact O-CB 3.41Å; E265-K268 PolarHBondContact O-N 3.07Å; E265-K268 IonicContact OE1-NZ 3.53Å; E265-K268 PolarHBondContact OE1-NZ 2.77Å; E265-K268 IonicContact OE2-NZ 2.67Å; M266-K268 PolarHBondContact O-N 2.89Å
269	E	98.4	Very high	97.9	Very high	31 Å²	31	56.2 Å²	56.2	15%	0.145	30%	0.299	C	S	.	.	S	Bend	trans	-93.4	161.5	-175.3	-57.2	-56.4	150.3	0	0	113	R147 N150 L151 R154 M266 L267	R147-E269 HydrophobicContact CB-CB 4.23Å; R147-E269 HydrophobicContact CG-CB 4.3Å; R147-E269 PolarHBondContact NH1-O 3.31Å; R147-E269 WeakPolarHBondContact O-CG 3.37Å; N150-E269 HydrophobicContact CB-CB 3.97Å; N150-E269 HydrophobicContact CB-CG 4.12Å; N150-E269 WeakPolarHBondContact CB-OE2 3.33Å; L151-E269 HydrophobicContact CB-CG 3.97Å; R154-E269 IonicContact CZ-OE1 3.2Å; R154-E269 IonicContact NE-OE1 2.78Å; R154-E269 PolarHBondContact NE-OE1 2.97Å; R154-E269 IonicContact NH2-OE1 3.77Å; R154-E269 PolarHBondContact NH2-OE1 3.38Å; M266-E269 PolarHBondContact O-N 3.43Å; L267-E269 VanDerWaalsContact C-N 3.33Å
270	D	97.8	Very high	97.9	Very high	100 Å²	100	55.7 Å²	55.7	54%	0.535	30%	0.297	S	S	.	.			trans	-74.7	152.4	170.5	-154.6	-40.8	0	0	0	111.1	R147 N150 V272	R147-D270 WeakPolarHBondContact CG-O 3.41Å; N150-D270 PolarHBondContact ND2-O 2.87Å; N150-D270 VanDerWaalsContact ND2-O 3.16Å; D270-V272 PolarHBondContact O-N 2.78Å; D270-V272 PolarHBondContact OD1-N 2.9Å; D270-V272 VanDerWaalsContact OD1-N 3.14Å
271	V	98.1	Very high	98	Very high	48 Å²	48	55 Å²	55	29%	0.291	29%	0.294	S	S	.	.	S	Bend	trans	-75.9	-7.2	171.6	-64.5	0	0	0	0	112.8	E143 C146 R147	E143-V271 HydrophobicContact CB-CB 4.27Å; E143-V271 HydrophobicContact CB-CG1 4.13Å; E143-V271 HydrophobicContact CG-CB 4.06Å; E143-V271 HydrophobicContact CG-CG1 4.16Å; C146-V271 WeakPolarHBondContact CB-O 3.48Å; C146-V271 PolarHBondContact SG-O 3.32Å; R147-V271 VanDerWaalsContact NH2-CG1 3.33Å
272	V	98.1	Very high	98	Very high	87 Å²	87	55 Å²	55	53%	0.527	29%	0.289	S	S	.	.			trans	-105.7	123.9	172.9	-175.9	0	0	0	0	110.3	N150 D270	N150-V272 PolarHBondContact ND2-O 3Å; D270-V272 PolarHBondContact O-N 2.78Å; D270-V272 PolarHBondContact OD1-N 2.9Å; D270-V272 VanDerWaalsContact OD1-N 3.14Å
273	C	98.5	Very high	98.1	Very high	1 Å²	1	57.7 Å²	57.7	1%	0.007	31%	0.305	C	S	.	.			trans	-127.6	117.6	173.2	170.4	0	0	0	0	108.6	C146 N150 R153 R182	C146-C273 HydrophobicContact CB-CB 3.64Å; C146-C273 WeakPolarHBondContact O-CB 3.42Å; C146-C273 PolarHBondContact SG-N 2.8Å; N150-C273 WeakPolarHBondContact OD1-CB 3.43Å; R153-C273 PolarHBondContact NH1-SG 3.5Å; R182-C273 PolarHBondContact NE-O 3.03Å; R182-C273 PolarHBondContact NH2-O 2.84Å
274	E	98.1	Very high	98.2	Very high	139 Å²	139	54.7 Å²	54.7	65%	0.65	29%	0.291	S	S	*	.	P	Polyproline II helix	trans	-61.6	124.6	178.2	-71.8	-57.7	139.4	0	0	110.9	R153	R153-E274 VanDerWaalsContact CZ-O 3.25Å; R153-E274 PolarHBondContact NH1-O 2.82Å; R153-E274 PolarHBondContact NH2-O 2.79Å
275	P	98.4	Very high	98.3	Very high	41 Å²	41	48.3 Å²	48.3	27%	0.266	26%	0.261	S	S	.	.	P	Polyproline II helix	trans	-73.5	138.7	180	29.8	-33.5	0	0	0	111.4	N104 V107 R182	N104-P275 HydrophobicContact CB-CB 4.18Å; V107-P275 HydrophobicContact CG2-CB 3.6Å; V107-P275 HydrophobicContact CG2-CG 3.68Å; R182-P275 HydrophobicContact CG-CB 4.24Å
276	A	98.4	Very high	98.4	Very high	20 Å²	20	47.4 Å²	47.4	17%	0.165	26%	0.257	C	S	.	.	P	Polyproline II helix	trans	-73.2	135.5	174.8	0	0	0	0	0	110.8	N104 R182 M278	N104-A276 PolarHBondContact ND2-O 2.81Å; R182-A276 PolarHBondContact O-N 3.49Å; A276-M278 HydrophobicContact CB-SD 3.94Å; A276-M278 PolarHBondContact O-N 3.15Å
277	A	98.4	Very high	98.3	Very high	43 Å²	43	47 Å²	47	36%	0.355	26%	0.255	S	S	.	.			trans	-74.5	108.8	169.3	0	0	0	0	0	109.7	I79 K102	I79-A277 HydrophobicContact CD1-CB 3.94Å; K102-A277 HydrophobicContact CD-CB 4.42Å
278	M	98.7	Very high	97.7	Very high	2 Å²	2	41.4 Å²	41.4	1%	0.01	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.8	138.1	-178.5	-55.8	-58.9	-70.3	0	0	110	K102 L103 K159 G184 A276 D282 Q303	K102-M278 CarbonylContact C-O 3.57Å; K102-M278 WeakPolarHBondContact CA-O 3.21Å; L103-M278 PolarHBondContact N-O 3.04Å; L103-M278 WeakPolarHBondContact O-CB 3.44Å; L103-M278 PolarHBondContact O-N 3.11Å; K159-M278 HydrophobicContact CD-CE 4.17Å; K159-M278 HydrophobicContact CD-SD 3.84Å; K159-M278 HydrophobicContact CG-CE 4.01Å; K159-M278 HydrophobicContact CG-SD 4.07Å; G184-M278 VanDerWaalsContact CA-CE 3.46Å; G184-M278 WeakPolarHBondContact CA-SD 3.35Å; A276-M278 HydrophobicContact CB-SD 3.94Å; A276-M278 PolarHBondContact O-N 3.15Å; M278-D282 HydrophobicContact CB-CB 4.44Å; M278-D282 HydrophobicContact CE-CB 3.56Å; M278-D282 WeakPolarHBondContact CE-OD2 3.3Å; M278-Q303 HydrophobicContact CB-CG 3.88Å
279	D	98.8	Very high	96.5	Very high	55 Å²	55	36 Å²	36	29%	0.294	20%	0.203	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-67.8	148.4	168.1	-67.6	-67.4	0	0	0	109	K102 K159 E281 D282	K102-D279 WeakPolarHBondContact CE-OD1 3.31Å; K102-D279 IonicContact NZ-OD1 3.82Å; K159-D279 IonicContact NZ-OD2 2.65Å; D279-E281 PolarHBondContact O-N 3.25Å; D279-E281 VanDerWaalsContact O-N 3.07Å; D279-D282 PolarHBondContact N-OD2 3.2Å; D279-D282 WeakPolarHBondContact O-CB 3.47Å; D279-D282 PolarHBondContact O-N 3.01Å
280	S	98.7	Very high	94.9	Very high	2 Å²	2	39.4 Å²	39.4	1%	0.014	23%	0.23	C	C	.	.	T	Hydrogen-bonded Turn	trans	-49.6	-37.6	-179.5	178.4	0	0	0	0	113.2	W97 F98 G101 Q303 A304	W97-S280 WeakPolarHBondContact O-CB 3.44Å; W97-S280 PolarHBondContact O-OG 3.39Å; F98-S280 VanDerWaalsContact O-CB 3.25Å; F98-S280 WeakPolarHBondContact O-CB 3.35Å; G101-S280 PolarHBondContact O-N 3.27Å; S280-Q303 WeakPolarHBondContact O-CB 3.37Å; S280-Q303 PolarHBondContact O-N 3.08Å; S280-A304 PolarHBondContact O-N 3.42Å; S280-A304 WeakPolarHBondContact OG-CB 3.24Å
281	E	98.6	Very high	92.5	Very high	46 Å²	46	35.2 Å²	35.2	22%	0.215	21%	0.211	C	C	.	.	T	Hydrogen-bonded Turn	trans	-98.6	9.5	-176.7	-65.8	-58.4	151.4	0	0	114.3	K96 W97 D279 T302 R503	K96-E281 HydrophobicContact CB-CG 4.1Å; K96-E281 HydrophobicContact CG-CG 4.31Å; W97-E281 PolarHBondContact N-OE1 3.03Å; D279-E281 PolarHBondContact O-N 3.25Å; D279-E281 VanDerWaalsContact O-N 3.07Å; E281-T302 VanDerWaalsContact O-CG2 3.23Å; E281-T302 WeakPolarHBondContact O-CG2 3.41Å; E281-T302 WeakPolarHBondContact OE2-CG2 3.48Å; E281-T302 PolarHBondContact OE2-OG1 3.06Å; E281-R503 IonicContact OE1-CZ 3.38Å; E281-R503 IonicContact OE1-NE 2.8Å; E281-R503 PolarHBondContact OE1-NE 2.63Å; E281-R503 IonicContact OE1-NH2 2.9Å; E281-R503 PolarHBondContact OE1-NH2 3.36Å; E281-R503 IonicContact OE2-CZ 3.57Å; E281-R503 IonicContact OE2-NE 3.28Å; E281-R503 PolarHBondContact OE2-NE 2.84Å; E281-R503 IonicContact OE2-NH2 3.96Å; E281-R503 PolarHBondContact OE2-NH2 3.27Å
282	D	98.8	Very high	89.8	Confident	41 Å²	41	38.6 Å²	38.6	22%	0.219	24%	0.237	C	C	.	.	S	Bend	trans	-64.1	147.9	166.9	-78.7	-35	0	0	0	110.2	K159 M278 D279 L284 T302 Q303	K159-D282 WeakPolarHBondContact CE-OD2 3.41Å; K159-D282 IonicContact NZ-OD1 3.97Å; K159-D282 IonicContact NZ-OD2 2.74Å; K159-D282 PolarHBondContact NZ-OD2 3.16Å; M278-D282 HydrophobicContact CB-CB 4.44Å; M278-D282 HydrophobicContact CE-CB 3.56Å; M278-D282 WeakPolarHBondContact CE-OD2 3.3Å; D279-D282 PolarHBondContact N-OD2 3.2Å; D279-D282 WeakPolarHBondContact O-CB 3.47Å; D279-D282 PolarHBondContact O-N 3.01Å; D282-L284 PolarHBondContact O-N 3.37Å; D282-T302 WeakPolarHBondContact O-CA 3.16Å; D282-T302 VanDerWaalsContact O-CB 3.27Å; D282-T302 WeakPolarHBondContact O-CB 3.35Å; D282-T302 WeakPolarHBondContact O-CG2 3.49Å; D282-Q303 HydrophobicContact CB-CG 4.13Å; D282-Q303 WeakPolarHBondContact O-CG 3.35Å; D282-Q303 PolarHBondContact O-N 3.4Å
283	V	98.7	Very high	87.3	Confident	56 Å²	56	39.4 Å²	39.4	34%	0.339	24%	0.242	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-64.2	129.1	178	-179.5	0	0	0	0	109.8	A186 L286 V300 Q303	A186-V283 HydrophobicContact CB-CB 4.34Å; A186-V283 HydrophobicContact CB-CG1 3.65Å; V283-L286 HydrophobicContact CG1-CD2 4.27Å; V283-V300 HydrophobicContact CB-CG1 4.49Å; V283-V300 HydrophobicContact CG1-CG1 4.09Å; V283-V300 HydrophobicContact CG2-CG1 3.85Å; V283-Q303 PolarHBondContact O-NE2 3.25Å
284	L	98.9	Very high	85	Confident	0 Å²	0	42.5 Å²	42.5	0%	0	27%	0.273	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.2	-46.9	170.9	178.3	64	0	0	0	110.6	V105 A181 A186 H187 D282 H301 Y306 Y343	V105-L284 HydrophobicContact CB-CD1 4.05Å; V105-L284 HydrophobicContact CG1-CD1 4.14Å; V105-L284 HydrophobicContact CG1-CD2 4.36Å; V105-L284 HydrophobicContact CG2-CD1 4.01Å; V105-L284 HydrophobicContact CG2-CD2 4.19Å; A181-L284 HydrophobicContact CB-CD1 3.58Å; A186-L284 WeakPolarHBondContact CA-O 3.33Å; H187-L284 PolarHBondContact N-O 3Å; D282-L284 PolarHBondContact O-N 3.37Å; L284-H301 PolarHBondContact N-O 3.31Å; L284-Y306 HydrophobicContact CD2-CD1 3.6Å; L284-Y306 HydrophobicContact CD2-CE1 4.03Å; L284-Y343 HydrophobicContact CD2-CE1 4.44Å
285	F	98.9	Very high	83.1	Confident	0 Å²	0	43.5 Å²	43.5	0%	0	28%	0.276	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-155.9	160.3	179.8	68.5	-94.6	0	0	0	113.9	H187 L287 H301 Y306 I335 H338	H187-F285 WeakPolarHBondContact CE1-CB 3.44Å; H187-F285 AromaticContact CE1-CG 3.79Å; H187-F285 WeakPolarHBondContact NE2-CB 3.49Å; H187-F285 CarbonylContact O-C 3.27Å; H187-F285 VanDerWaalsContact O-CA 3.23Å; H187-F285 WeakPolarHBondContact O-CA 3.46Å; H187-F285 VanDerWaalsContact O-CB 3.3Å; H187-F285 WeakPolarHBondContact O-CB 3.41Å; F285-L287 HydrophobicContact CD2-CB 3.96Å; F285-L287 HydrophobicContact CE2-CB 3.85Å; F285-H301 HydrophobicContact CD1-CB 4.02Å; F285-H301 HydrophobicContact CD2-CB 4.46Å; F285-H301 HydrophobicContact CE1-CB 3.47Å; F285-H301 VanDerWaalsContact CE1-CB 3.47Å; F285-H301 HydrophobicContact CE2-CB 3.98Å; F285-H301 AromaticContact CE2-CD2 3.53Å; F285-H301 HydrophobicContact CG-CB 4.47Å; F285-H301 HydrophobicContact CZ-CB 3.45Å; F285-H301 VanDerWaalsContact CZ-CB 3.45Å; F285-H301 AromaticContact CZ-CD2 3.4Å; F285-H301 WeakPolarHBondContact CZ-CD2 3.39Å; F285-H301 AromaticContact CZ-CG 3.55Å; F285-H301 PolarHBondContact N-O 3.22Å; F285-H301 PolarHBondContact O-N 3.44Å; F285-Y306 AromaticContact CE1-CD1 3.89Å; F285-Y306 HydrophobicContact CE1-CD1 3.89Å; F285-Y306 AromaticContact CE1-CD2 3.98Å; F285-Y306 HydrophobicContact CE1-CD2 3.98Å; F285-Y306 AromaticContact CE1-CE1 3.58Å; F285-Y306 HydrophobicContact CE1-CE1 3.58Å; F285-Y306 AromaticContact CE1-CE2 3.69Å; F285-Y306 HydrophobicContact CE1-CE2 3.69Å; F285-Y306 HydrophobicContact CE1-CG 4.09Å; F285-Y306 AromaticContact CE1-CZ 3.48Å; F285-Y306 VanDerWaalsContact CE1-CZ 3.48Å; F285-Y306 HydrophobicContact CZ-CD2 4.12Å; F285-Y306 HydrophobicContact CZ-CE1 4.35Å; F285-Y306 AromaticContact CZ-CE2 3.65Å; F285-Y306 HydrophobicContact CZ-CE2 3.65Å; F285-Y306 AromaticContact CZ-CZ 3.78Å; F285-I335 HydrophobicContact CE2-CD1 4.07Å; F285-I335 HydrophobicContact CZ-CD1 3.83Å; F285-H338 AromaticContact CD2-CD2 3.87Å; F285-H338 AromaticContact CE2-CD2 3.86Å
286	L	98.5	Very high	81.7	Confident	3 Å²	3	42.7 Å²	42.7	2%	0.016	27%	0.271	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107	135	165	-54.9	-176.3	0	0	0	108.6	H187 N188 A206 V283 Y288 L299 V300 H506	H187-L286 PolarHBondContact O-N 2.95Å; N188-L286 HydrophobicContact CB-CB 4.37Å; A206-L286 HydrophobicContact CB-CD1 3.83Å; V283-L286 HydrophobicContact CG1-CD2 4.27Å; L286-Y288 HydrophobicContact CB-CE2 4.36Å; L286-L299 WeakPolarHBondContact CA-O 3.35Å; L286-V300 HydrophobicContact CD2-CB 4.44Å; L286-V300 HydrophobicContact CD2-CG2 3.57Å; L286-H506 HydrophobicContact CD1-CB 4.34Å; L286-H506 HydrophobicContact CD2-CB 3.94Å
287	L	95.6	Very high	80.9	Confident	5 Å²	5	42.7 Å²	42.7	3%	0.026	27%	0.267	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.8	117.3	171.1	-170.5	62.7	0	0	0	111.1	F285 L299 I335 T441	F285-L287 HydrophobicContact CD2-CB 3.96Å; F285-L287 HydrophobicContact CE2-CB 3.85Å; L287-L299 PolarHBondContact N-O 3.45Å; L287-L299 PolarHBondContact O-N 3.28Å; L287-I335 HydrophobicContact CD2-CB 3.76Å; L287-I335 HydrophobicContact CD2-CD1 3.96Å; L287-I335 HydrophobicContact CD2-CG1 4.46Å; L287-T441 HydrophobicContact CB-CG2 4.39Å; L287-T441 HydrophobicContact CD2-CG2 3.9Å; L287-T441 HydrophobicContact CG-CG2 4.32Å
288	Y	86	Confident	80.5	Confident	15 Å²	15	40.6 Å²	40.6	6%	0.059	25%	0.25	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.8	120.8	-173.8	-76.6	-89.5	0	0	0	112.9	N188 R202 D205 A206 L286 P296 K297	N188-Y288 WeakPolarHBondContact OD1-CD2 3.44Å; N188-Y288 WeakPolarHBondContact OD1-CE2 3.16Å; R202-Y288 HydrophobicContact CB-CD2 3.94Å; R202-Y288 HydrophobicContact CB-CE2 4.08Å; R202-Y288 HydrophobicContact CB-CG 4.24Å; R202-Y288 HydrophobicContact CG-CD1 4.01Å; R202-Y288 HydrophobicContact CG-CD2 3.83Å; R202-Y288 HydrophobicContact CG-CE2 4.37Å; R202-Y288 HydrophobicContact CG-CG 3.63Å; D205-Y288 HydrophobicContact CB-CE1 3.95Å; D205-Y288 WeakPolarHBondContact CB-OH 3.19Å; D205-Y288 WeakPolarHBondContact OD2-CE1 3.4Å; D205-Y288 VanDerWaalsContact OD2-CZ 3.28Å; D205-Y288 PolarHBondContact OD2-OH 3.43Å; A206-Y288 WeakPolarHBondContact CA-OH 3.04Å; A206-Y288 HydrophobicContact CB-CE2 4.2Å; A206-Y288 PolarHBondContact N-OH 3.08Å; L286-Y288 HydrophobicContact CB-CE2 4.36Å; Y288-P296 HydrophobicContact CD1-CB 3.68Å; Y288-P296 HydrophobicContact CG-CB 4.44Å; Y288-K297 CarbonylContact C-O 3.31Å; Y288-K297 VanDerWaalsContact CA-O 3.28Å; Y288-K297 WeakPolarHBondContact CA-O 3.48Å
289	T	72.8	Confident	80.4	Confident	21 Å²	21	40.5 Å²	40.5	13%	0.129	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.5	154.6	173.9	65.9	0	0	0	0	112	G291 P296 K297 L299 T441	T289-G291 PolarHBondContact O-N 3.31Å; T289-P296 CarbonylContact O-C 3.47Å; T289-P296 WeakPolarHBondContact O-CA 3.44Å; T289-K297 PolarHBondContact N-O 3.01Å; T289-K297 PolarHBondContact O-N 3.08Å; T289-K297 VanDerWaalsContact OG1-CE 3.31Å; T289-K297 WeakPolarHBondContact OG1-CE 3.23Å; T289-L299 HydrophobicContact CG2-CD2 4.07Å; T289-L299 VanDerWaalsContact OG1-CD2 3.29Å; T289-L299 WeakPolarHBondContact OG1-CD2 3.13Å; T289-T441 HydrophobicContact CG2-CG2 3.52Å
290	S	63.3	Low	80.4	Confident	103 Å²	103	38.2 Å²	38.2	72%	0.72	24%	0.237	S	C	*	.			trans	-67.3	125	172.7	54.2	0	0	0	0	110.4
291	G	47.7	Very low	80.4	Confident	12 Å²	12	38.1 Å²	38.1	12%	0.124	24%	0.237	C	C	.	.			trans	-91.7	152.2	171.4	0	0	0	0	0	112.4	T289 T293 G294	T289-G291 PolarHBondContact O-N 3.31Å; G291-T293 PolarHBondContact O-N 2.87Å; G291-G294 PolarHBondContact O-N 2.82Å
292	S	42.7	Very low	80.4	Confident	119 Å²	119	36.1 Å²	36.1	83%	0.832	23%	0.227	S	C	*	.	T	Hydrogen-bonded Turn	trans	-59.2	-27.9	171.6	49.3	0	0	0	0	112.7
293	T	45.2	Very low	80.4	Confident	104 Å²	104	34.1 Å²	34.1	64%	0.638	22%	0.217	S	C	*	.	T	Hydrogen-bonded Turn	trans	-89.2	11.2	179.8	60.7	0	0	0	0	114.5	G291 K295 R511	G291-T293 PolarHBondContact O-N 2.87Å; T293-K295 PolarHBondContact O-N 2.74Å; T293-R511 PolarHBondContact OG1-NH2 3.46Å
294	G	49.3	Very low	80.4	Confident	65 Å²	65	31.5 Å²	31.5	67%	0.67	20%	0.201	S	C	*	.	S	Bend	trans	87.7	-39	173.4	0	0	0	0	0	115.9	G291	G291-G294 PolarHBondContact O-N 2.82Å
295	K	59.9	Low	80.4	Confident	161 Å²	161	31.5 Å²	31.5	70%	0.7	20%	0.201	S	C	*	.	S	Bend	trans	-76.6	130.8	176.2	-69.5	-171.5	-179.6	-177.4	0	112	T293 R511	T293-K295 PolarHBondContact O-N 2.74Å; K295-R511 PolarHBondContact O-NH1 3.38Å; K295-R511 PolarHBondContact O-NH2 3.29Å
296	P	68	Low	80.4	Confident	24 Å²	24	31.5 Å²	31.5	16%	0.156	20%	0.201	C	C	.	.			trans	-52.6	149.4	174	-27	35.4	0	0	0	112.9	Y288 T289 R511	Y288-P296 HydrophobicContact CD1-CB 3.68Å; Y288-P296 HydrophobicContact CG-CB 4.44Å; T289-P296 CarbonylContact O-C 3.47Å; T289-P296 WeakPolarHBondContact O-CA 3.44Å; P296-R511 PolarHBondContact O-NH1 3.34Å
297	K	80.8	Confident	80.5	Confident	19 Å²	19	31.3 Å²	31.3	8%	0.083	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.4	111.3	177	-63	176.9	-64	172.3	0	108.7	Y288 T289 L299 E442 I505 Y516	Y288-K297 CarbonylContact C-O 3.31Å; Y288-K297 VanDerWaalsContact CA-O 3.28Å; Y288-K297 WeakPolarHBondContact CA-O 3.48Å; T289-K297 PolarHBondContact N-O 3.01Å; T289-K297 PolarHBondContact O-N 3.08Å; T289-K297 VanDerWaalsContact OG1-CE 3.31Å; T289-K297 WeakPolarHBondContact OG1-CE 3.23Å; K297-L299 HydrophobicContact CB-CD2 3.66Å; K297-L299 VanDerWaalsContact O-CD2 3.22Å; K297-L299 WeakPolarHBondContact O-CD2 3.48Å; K297-L299 PolarHBondContact O-N 2.96Å; K297-L299 VanDerWaalsContact O-N 3.11Å; K297-E442 IonicContact NZ-OE1 3.52Å; K297-I505 HydrophobicContact CB-CD1 4.23Å; K297-I505 HydrophobicContact CB-CG1 4.39Å; K297-I505 HydrophobicContact CB-CG2 4.24Å; K297-I505 HydrophobicContact CD-CD1 3.85Å; K297-I505 HydrophobicContact CG-CD1 4.07Å; K297-Y516 PolarHBondContact NZ-OH 2.84Å
298	G	91.6	Very high	80.6	Confident	0 Å²	0	31.1 Å²	31.1	0%	0	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-76	91.7	174.1	0	0	0	0	0	110.6	I505 H506	G298-I505 WeakPolarHBondContact O-CA 3.36Å; G298-H506 WeakPolarHBondContact O-CB 3.28Å; G298-H506 PolarHBondContact O-N 2.83Å
299	L	96	Very high	81.2	Confident	0 Å²	0	30.4 Å²	30.4	0%	0	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-71	132.2	179.8	-82.9	-62.3	0	0	0	110	L286 L287 T289 K297 T441 E442 A502 I505	L286-L299 WeakPolarHBondContact CA-O 3.35Å; L287-L299 PolarHBondContact N-O 3.45Å; L287-L299 PolarHBondContact O-N 3.28Å; T289-L299 HydrophobicContact CG2-CD2 4.07Å; T289-L299 VanDerWaalsContact OG1-CD2 3.29Å; T289-L299 WeakPolarHBondContact OG1-CD2 3.13Å; K297-L299 HydrophobicContact CB-CD2 3.66Å; K297-L299 VanDerWaalsContact O-CD2 3.22Å; K297-L299 WeakPolarHBondContact O-CD2 3.48Å; K297-L299 PolarHBondContact O-N 2.96Å; K297-L299 VanDerWaalsContact O-N 3.11Å; L299-T441 HydrophobicContact CB-CG2 4.23Å; L299-T441 HydrophobicContact CG-CG2 4.37Å; L299-E442 HydrophobicContact CD1-CG 3.75Å; L299-E442 HydrophobicContact CG-CG 4.05Å; L299-A502 HydrophobicContact CD1-CB 3.94Å; L299-I505 HydrophobicContact CD1-CG1 4.13Å
300	V	98.7	Very high	82.5	Confident	7 Å²	7	29.4 Å²	29.4	4%	0.042	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.9	124.2	-177.5	177.8	0	0	0	0	110.4	V283 L286 A502 R503 T504 H506	V283-V300 HydrophobicContact CB-CG1 4.49Å; V283-V300 HydrophobicContact CG1-CG1 4.09Å; V283-V300 HydrophobicContact CG2-CG1 3.85Å; L286-V300 HydrophobicContact CD2-CB 4.44Å; L286-V300 HydrophobicContact CD2-CG2 3.57Å; V300-A502 CarbonylContact O-C 3.52Å; V300-A502 WeakPolarHBondContact O-CA 3.39Å; V300-R503 PolarHBondContact O-N 3.19Å; V300-T504 HydrophobicContact CB-CG2 3.8Å; V300-T504 HydrophobicContact CG1-CG2 4.34Å; V300-T504 HydrophobicContact CG2-CG2 3.57Å; V300-T504 PolarHBondContact N-O 3.43Å; V300-H506 HydrophobicContact CG2-CB 3.99Å
301	H	98.9	Very high	84.2	Confident	0 Å²	0	24.6 Å²	24.6	0%	0	16%	0.157	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.1	145.4	167.3	-77.6	-81	0	0	0	110.5	L284 F285 Y306 T441 G444 G500 A502	L284-H301 PolarHBondContact N-O 3.31Å; F285-H301 HydrophobicContact CD1-CB 4.02Å; F285-H301 HydrophobicContact CD2-CB 4.46Å; F285-H301 HydrophobicContact CE1-CB 3.47Å; F285-H301 VanDerWaalsContact CE1-CB 3.47Å; F285-H301 HydrophobicContact CE2-CB 3.98Å; F285-H301 AromaticContact CE2-CD2 3.53Å; F285-H301 HydrophobicContact CG-CB 4.47Å; F285-H301 HydrophobicContact CZ-CB 3.45Å; F285-H301 VanDerWaalsContact CZ-CB 3.45Å; F285-H301 AromaticContact CZ-CD2 3.4Å; F285-H301 WeakPolarHBondContact CZ-CD2 3.39Å; F285-H301 AromaticContact CZ-CG 3.55Å; F285-H301 PolarHBondContact N-O 3.22Å; F285-H301 PolarHBondContact O-N 3.44Å; H301-Y306 HydrophobicContact CB-CD2 4.05Å; H301-Y306 HydrophobicContact CB-CG 4.23Å; H301-Y306 AromaticContact CG-CD2 3.85Å; H301-Y306 AromaticContact ND1-CD2 3.58Å; H301-T441 PolarHBondContact NE2-O 3Å; H301-G444 VanDerWaalsContact CE1-CA 3.41Å; H301-G444 WeakPolarHBondContact CE1-CA 3.48Å; H301-G500 PolarHBondContact CE1-O 2.92Å; H301-G500 PolarHBondContact ND1-O 3.39Å; H301-A502 PolarHBondContact CE1-N 2.89Å
302	T	98.8	Very high	86.6	Confident	3 Å²	3	24.1 Å²	24.1	2%	0.018	15%	0.151	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105	-175.4	-175.9	54.4	0	0	0	0	112	E281 D282 Y306 R503	E281-T302 VanDerWaalsContact O-CG2 3.23Å; E281-T302 WeakPolarHBondContact O-CG2 3.41Å; E281-T302 WeakPolarHBondContact OE2-CG2 3.48Å; E281-T302 PolarHBondContact OE2-OG1 3.06Å; D282-T302 WeakPolarHBondContact O-CA 3.16Å; D282-T302 VanDerWaalsContact O-CB 3.27Å; D282-T302 WeakPolarHBondContact O-CB 3.35Å; D282-T302 WeakPolarHBondContact O-CG2 3.49Å; T302-Y306 WeakPolarHBondContact O-CB 3.36Å; T302-R503 HydrophobicContact CG2-CB 4.45Å; T302-R503 HydrophobicContact CG2-CG 3.57Å; T302-R503 PolarHBondContact OG1-NE 3.46Å; T302-R503 PolarHBondContact OG1-NH2 2.85Å
303	Q	98.8	Very high	89.2	Confident	0 Å²	0	18.5 Å²	18.5	0%	0	11%	0.112	C	C	.	.	S	Bend	trans	-74.4	-71.4	-167.4	-58.8	-76.7	-34.3	0	0	112.9	L103 V105 M278 S280 D282 V283 L307	L103-Q303 HydrophobicContact CD2-CB 3.96Å; V105-Q303 HydrophobicContact CG2-CB 4.16Å; M278-Q303 HydrophobicContact CB-CG 3.88Å; S280-Q303 WeakPolarHBondContact O-CB 3.37Å; S280-Q303 PolarHBondContact O-N 3.08Å; D282-Q303 HydrophobicContact CB-CG 4.13Å; D282-Q303 WeakPolarHBondContact O-CG 3.35Å; D282-Q303 PolarHBondContact O-N 3.4Å; V283-Q303 PolarHBondContact O-NE2 3.25Å; Q303-L307 WeakPolarHBondContact O-CB 3.42Å; Q303-L307 PolarHBondContact O-N 3.17Å
304	A	98.8	Very high	91.8	Very high	0 Å²	0	13.5 Å²	13.5	0%	0	8%	0.081	C	C	.	.	H	α-helix	trans	-78.7	-45.8	-163.3	0	0	0	0	0	112.9	L76 W78 F98 L103 S280 Y306 L307 L308	L76-A304 HydrophobicContact CD1-CB 4.27Å; W78-A304 HydrophobicContact CH2-CB 3.47Å; W78-A304 VanDerWaalsContact CH2-CB 3.47Å; W78-A304 HydrophobicContact CZ2-CB 4.23Å; W78-A304 HydrophobicContact CZ3-CB 4.09Å; F98-A304 HydrophobicContact CD2-CB 4.03Å; L103-A304 HydrophobicContact CD1-CB 3.74Å; L103-A304 HydrophobicContact CD2-CB 3.72Å; L103-A304 HydrophobicContact CG-CB 4.41Å; S280-A304 PolarHBondContact O-N 3.42Å; S280-A304 WeakPolarHBondContact OG-CB 3.24Å; A304-Y306 PolarHBondContact O-N 3.14Å; A304-L307 PolarHBondContact O-N 3.31Å; A304-L308 VanDerWaalsContact O-CB 3.24Å; A304-L308 WeakPolarHBondContact O-CB 3.45Å; A304-L308 PolarHBondContact O-N 3.14Å
305	G	98.8	Very high	94.1	Very high	0 Å²	0	13.3 Å²	13.3	0%	0	6%	0.06	C	C	.	.	H	α-helix	trans	-60.4	-45.6	-177.6	0	0	0	0	0	112.8	Y309 P499	G305-Y309 WeakPolarHBondContact O-CB 3.29Å; G305-Y309 PolarHBondContact O-N 2.71Å; G305-Y309 VanDerWaalsContact O-N 3.14Å; G305-P499 CarbonylContact C-O 3.53Å; G305-P499 VanDerWaalsContact C-O 3.22Å; G305-P499 WeakPolarHBondContact CA-O 3.5Å; G305-P499 CarbonylContact O-C 3.55Å
306	Y	98.9	Very high	95.9	Very high	0 Å²	0	6 Å²	6	0%	0	3%	0.028	C	C	.	.	H	α-helix	trans	-61.6	-53.2	175.3	173.1	-96.7	0	0	0	111.9	L284 F285 H301 T302 A304 L308 Y309 A310 I335 H338 S339 Y343	L284-Y306 HydrophobicContact CD2-CD1 3.6Å; L284-Y306 HydrophobicContact CD2-CE1 4.03Å; F285-Y306 AromaticContact CE1-CD1 3.89Å; F285-Y306 HydrophobicContact CE1-CD1 3.89Å; F285-Y306 AromaticContact CE1-CD2 3.98Å; F285-Y306 HydrophobicContact CE1-CD2 3.98Å; F285-Y306 AromaticContact CE1-CE1 3.58Å; F285-Y306 HydrophobicContact CE1-CE1 3.58Å; F285-Y306 AromaticContact CE1-CE2 3.69Å; F285-Y306 HydrophobicContact CE1-CE2 3.69Å; F285-Y306 HydrophobicContact CE1-CG 4.09Å; F285-Y306 AromaticContact CE1-CZ 3.48Å; F285-Y306 VanDerWaalsContact CE1-CZ 3.48Å; F285-Y306 HydrophobicContact CZ-CD2 4.12Å; F285-Y306 HydrophobicContact CZ-CE1 4.35Å; F285-Y306 AromaticContact CZ-CE2 3.65Å; F285-Y306 HydrophobicContact CZ-CE2 3.65Å; F285-Y306 AromaticContact CZ-CZ 3.78Å; H301-Y306 HydrophobicContact CB-CD2 4.05Å; H301-Y306 HydrophobicContact CB-CG 4.23Å; H301-Y306 AromaticContact CG-CD2 3.85Å; H301-Y306 AromaticContact ND1-CD2 3.58Å; T302-Y306 WeakPolarHBondContact O-CB 3.36Å; A304-Y306 PolarHBondContact O-N 3.14Å; Y306-L308 VanDerWaalsContact C-N 3.35Å; Y306-L308 PolarHBondContact O-N 3.11Å; Y306-Y309 PolarHBondContact O-N 2.97Å; Y306-A310 WeakPolarHBondContact O-CB 3.32Å; Y306-A310 PolarHBondContact O-N 3.11Å; Y306-I335 HydrophobicContact CE2-CD1 4.33Å; Y306-H338 WeakPolarHBondContact OH-CB 3.45Å; Y306-S339 WeakPolarHBondContact CE2-OG 3.38Å; Y306-S339 VanDerWaalsContact OH-CA 3.32Å; Y306-S339 WeakPolarHBondContact OH-CA 3.48Å; Y306-S339 PolarHBondContact OH-N 2.93Å; Y306-S339 PolarHBondContact OH-OG 3.13Å; Y306-Y343 AromaticContact CE1-CD2 3.48Å; Y306-Y343 HydrophobicContact CE1-CD2 3.48Å; Y306-Y343 VanDerWaalsContact CE1-CD2 3.48Å; Y306-Y343 HydrophobicContact CE1-CE2 4.11Å; Y306-Y343 AromaticContact CE1-CG 3.82Å; Y306-Y343 HydrophobicContact CE1-CG 3.82Å; Y306-Y343 AromaticContact CZ-CD2 3.93Å; Y306-Y343 WeakPolarHBondContact OH-CD2 3.44Å
307	L	98.9	Very high	97.4	Very high	0 Å²	0	4.9 Å²	4.9	0%	0	2%	0.021	C	C	.	.	H	α-helix	trans	-61.1	-44.2	-176.5	-176.9	66.1	0	0	0	111.7	L76 V105 N108 Q303 A304 Y309 A311 Y343 A347	L76-L307 HydrophobicContact CD2-CD2 3.78Å; L76-L307 HydrophobicContact CD2-CG 4.06Å; V105-L307 HydrophobicContact CB-CD2 4.32Å; V105-L307 HydrophobicContact CG1-CD1 4.15Å; V105-L307 HydrophobicContact CG1-CD2 4.21Å; V105-L307 HydrophobicContact CG2-CB 4.3Å; V105-L307 HydrophobicContact CG2-CD2 3.99Å; N108-L307 HydrophobicContact CB-CD2 3.57Å; Q303-L307 WeakPolarHBondContact O-CB 3.42Å; Q303-L307 PolarHBondContact O-N 3.17Å; A304-L307 PolarHBondContact O-N 3.31Å; L307-Y309 VanDerWaalsContact C-N 3.35Å; L307-Y309 PolarHBondContact O-N 2.82Å; L307-A311 VanDerWaalsContact O-CB 3.3Å; L307-A311 WeakPolarHBondContact O-CB 3.23Å; L307-A311 PolarHBondContact O-N 3.38Å; L307-Y343 HydrophobicContact CD1-CD1 4.26Å; L307-A347 HydrophobicContact CD1-CB 3.84Å; L307-A347 HydrophobicContact CG-CB 4.4Å
308	L	98.9	Very high	98.2	Very high	0 Å²	0	4 Å²	4	0%	0	2%	0.017	C	C	.	.	H	α-helix	trans	-57.5	-50.2	177.4	-175.9	64.1	0	0	0	111	W68 V71 A72 R75 L76 F98 A304 Y306 A311 L312	W68-L308 HydrophobicContact CE3-CD2 3.99Å; W68-L308 HydrophobicContact CZ3-CD2 4.31Å; V71-L308 HydrophobicContact CG1-CD1 4.07Å; A72-L308 HydrophobicContact CB-CD2 3.72Å; R75-L308 HydrophobicContact CB-CD1 3.78Å; R75-L308 HydrophobicContact CG-CD1 4.46Å; L76-L308 HydrophobicContact CD1-CB 3.96Å; L76-L308 HydrophobicContact CD1-CD1 4.24Å; L76-L308 HydrophobicContact CG-CD1 4.04Å; F98-L308 HydrophobicContact CE1-CD2 4.47Å; F98-L308 HydrophobicContact CE2-CD2 3.8Å; F98-L308 HydrophobicContact CZ-CD2 3.49Å; F98-L308 VanDerWaalsContact CZ-CD2 3.49Å; A304-L308 VanDerWaalsContact O-CB 3.24Å; A304-L308 WeakPolarHBondContact O-CB 3.45Å; A304-L308 PolarHBondContact O-N 3.14Å; Y306-L308 VanDerWaalsContact C-N 3.35Å; Y306-L308 PolarHBondContact O-N 3.11Å; L308-A311 PolarHBondContact O-N 3.03Å; L308-L312 HydrophobicContact CD1-CD1 4.1Å; L308-L312 HydrophobicContact CD1-CG 4.45Å; L308-L312 HydrophobicContact CG-CD1 3.85Å; L308-L312 WeakPolarHBondContact O-CD1 3.36Å; L308-L312 VanDerWaalsContact O-CG 3.24Å; L308-L312 WeakPolarHBondContact O-CG 3.44Å; L308-L312 PolarHBondContact O-N 3.15Å
309	Y	98.9	Very high	98.4	Very high	0 Å²	0	5.1 Å²	5.1	0%	0	3%	0.028	C	C	.	.	H	α-helix	trans	-67.6	-41	-175.3	-162.2	-104.1	0	0	0	111.9	W68 G305 Y306 L307 L312 T313 I446 F468 I471 W498	W68-Y309 AromaticContact CH2-CD2 3.71Å; W68-Y309 HydrophobicContact CH2-CD2 3.71Å; W68-Y309 AromaticContact CH2-CE2 3.9Å; W68-Y309 HydrophobicContact CH2-CE2 3.9Å; W68-Y309 HydrophobicContact CZ2-CD2 4.38Å; W68-Y309 HydrophobicContact CZ2-CE2 4.32Å; W68-Y309 HydrophobicContact CZ3-CD2 4.41Å; G305-Y309 WeakPolarHBondContact O-CB 3.29Å; G305-Y309 PolarHBondContact O-N 2.71Å; G305-Y309 VanDerWaalsContact O-N 3.14Å; Y306-Y309 PolarHBondContact O-N 2.97Å; L307-Y309 VanDerWaalsContact C-N 3.35Å; L307-Y309 PolarHBondContact O-N 2.82Å; Y309-L312 PolarHBondContact O-N 2.95Å; Y309-T313 HydrophobicContact CD1-CG2 4.18Å; Y309-T313 HydrophobicContact CE1-CG2 3.8Å; Y309-T313 HydrophobicContact CE2-CG2 4.47Å; Y309-T313 WeakPolarHBondContact O-CB 3.37Å; Y309-T313 WeakPolarHBondContact O-CG2 3.21Å; Y309-T313 PolarHBondContact O-N 2.81Å; Y309-T313 PolarHBondContact O-OG1 3.29Å; Y309-I446 WeakPolarHBondContact CE1-O 3.49Å; Y309-I446 PolarHBondContact OH-O 3.46Å; Y309-F468 AromaticContact CE2-CD1 3.92Å; Y309-F468 HydrophobicContact CE2-CD1 3.92Å; Y309-F468 HydrophobicContact CE2-CE1 4.24Å; Y309-F468 AromaticContact CZ-CD1 3.91Å; Y309-F468 WeakPolarHBondContact OH-CD1 3.32Å; Y309-I471 WeakPolarHBondContact OH-CD1 3.3Å; Y309-I471 VanDerWaalsContact OH-CG1 3.24Å; Y309-I471 WeakPolarHBondContact OH-CG1 3.39Å; Y309-W498 AromaticContact CE1-CD1 3.94Å; Y309-W498 AromaticContact CE2-CD1 3.99Å; Y309-W498 AromaticContact CZ-CD1 3.84Å
310	A	98.9	Very high	98.5	Very high	0 Å²	0	5.3 Å²	5.3	0%	0	3%	0.029	C	C	.	.	H	α-helix	trans	-61.9	-44.3	173.7	0	0	0	0	0	111.8	Y306 L312 T313 H314	Y306-A310 WeakPolarHBondContact O-CB 3.32Å; Y306-A310 PolarHBondContact O-N 3.11Å; A310-L312 PolarHBondContact O-N 3.4Å; A310-T313 PolarHBondContact O-OG1 2.76Å; A310-H314 WeakPolarHBondContact O-CB 3.44Å; A310-H314 PolarHBondContact O-N 3.04Å
311	A	98.8	Very high	98.3	Very high	3 Å²	3	10.7 Å²	10.7	3%	0.025	5%	0.054	C	C	.	.	H	α-helix	trans	-63.2	-42.4	178.3	0	0	0	0	0	112.5	L307 L308 R315 A347 N348	L307-A311 VanDerWaalsContact O-CB 3.3Å; L307-A311 WeakPolarHBondContact O-CB 3.23Å; L307-A311 PolarHBondContact O-N 3.38Å; L308-A311 PolarHBondContact O-N 3.03Å; A311-R315 WeakPolarHBondContact O-CB 3.3Å; A311-R315 PolarHBondContact O-N 2.82Å; A311-A347 HydrophobicContact CB-CB 3.81Å; A311-N348 PolarHBondContact O-ND2 3.35Å
312	L	98.4	Very high	98.1	Very high	2 Å²	2	15.4 Å²	15.4	1%	0.01	8%	0.079	C	C	.	.	H	α-helix	trans	-70.4	-48.3	-179.5	-69.8	165.2	0	0	0	112.5	M41 W68 V71 R75 L308 Y309 A310 H314 R315 Y316 F468	M41-L312 HydrophobicContact CE-CD2 4.48Å; W68-L312 HydrophobicContact CE3-CD1 4.43Å; W68-L312 HydrophobicContact CH2-CD1 4.24Å; W68-L312 HydrophobicContact CZ3-CD1 3.49Å; W68-L312 VanDerWaalsContact CZ3-CD1 3.49Å; V71-L312 HydrophobicContact CG1-CD1 3.4Å; V71-L312 VanDerWaalsContact CG1-CD1 3.4Å; V71-L312 HydrophobicContact CG1-CD2 3.56Å; V71-L312 HydrophobicContact CG1-CG 4.02Å; R75-L312 HydrophobicContact CG-CD2 4.19Å; L308-L312 HydrophobicContact CD1-CD1 4.1Å; L308-L312 HydrophobicContact CD1-CG 4.45Å; L308-L312 HydrophobicContact CG-CD1 3.85Å; L308-L312 WeakPolarHBondContact O-CD1 3.36Å; L308-L312 VanDerWaalsContact O-CG 3.24Å; L308-L312 WeakPolarHBondContact O-CG 3.44Å; L308-L312 PolarHBondContact O-N 3.15Å; Y309-L312 PolarHBondContact O-N 2.95Å; A310-L312 PolarHBondContact O-N 3.4Å; L312-H314 VanDerWaalsContact C-N 3.3Å; L312-H314 PolarHBondContact O-N 3.3Å; L312-R315 PolarHBondContact O-N 3.38Å; L312-R315 VanDerWaalsContact O-N 3.16Å; L312-Y316 HydrophobicContact CB-CD2 4.36Å; L312-Y316 HydrophobicContact CD2-CD2 4.18Å; L312-Y316 HydrophobicContact CD2-CE2 3.62Å; L312-Y316 WeakPolarHBondContact O-CD2 3.39Å; L312-Y316 PolarHBondContact O-N 3.28Å; L312-F468 HydrophobicContact CB-CE1 4.35Å; L312-F468 HydrophobicContact CB-CZ 4.27Å
313	T	98.8	Very high	97.9	Very high	0 Å²	0	17.8 Å²	17.8	0%	0	10%	0.104	C	C	.	.	H	α-helix	trans	-62.8	-40.7	178.8	49.8	0	0	0	0	110.7	Y309 A310 R315 V317 Y340 I446 F468	Y309-T313 HydrophobicContact CD1-CG2 4.18Å; Y309-T313 HydrophobicContact CE1-CG2 3.8Å; Y309-T313 HydrophobicContact CE2-CG2 4.47Å; Y309-T313 WeakPolarHBondContact O-CB 3.37Å; Y309-T313 WeakPolarHBondContact O-CG2 3.21Å; Y309-T313 PolarHBondContact O-N 2.81Å; Y309-T313 PolarHBondContact O-OG1 3.29Å; A310-T313 PolarHBondContact O-OG1 2.76Å; T313-R315 PolarHBondContact O-N 3.04Å; T313-V317 WeakPolarHBondContact O-CB 3.46Å; T313-V317 VanDerWaalsContact O-CG2 3.3Å; T313-V317 WeakPolarHBondContact O-CG2 3.47Å; T313-V317 PolarHBondContact O-N 2.96Å; T313-Y340 WeakPolarHBondContact CB-OH 3.29Å; T313-Y340 PolarHBondContact OG1-OH 3.38Å; T313-I446 HydrophobicContact CG2-CB 4.13Å; T313-I446 WeakPolarHBondContact CG2-O 3.36Å; T313-F468 HydrophobicContact CG2-CD1 3.61Å; T313-F468 HydrophobicContact CG2-CD2 4.35Å; T313-F468 HydrophobicContact CG2-CE1 3.44Å; T313-F468 VanDerWaalsContact CG2-CE1 3.44Å; T313-F468 HydrophobicContact CG2-CE2 4.22Å; T313-F468 HydrophobicContact CG2-CG 4.07Å; T313-F468 HydrophobicContact CG2-CZ 3.78Å
314	H	98.8	Very high	97.9	Very high	0 Å²	0	18.9 Å²	18.9	0%	0	11%	0.109	C	C	.	.	H	α-helix	trans	-55.9	-51.1	171.2	171.2	-98.9	0	0	0	111.3	A310 L312 F318 Y320 F326 Y340 N348	A310-H314 WeakPolarHBondContact O-CB 3.44Å; A310-H314 PolarHBondContact O-N 3.04Å; L312-H314 VanDerWaalsContact C-N 3.3Å; L312-H314 PolarHBondContact O-N 3.3Å; H314-F318 WeakPolarHBondContact O-CB 3.19Å; H314-F318 WeakPolarHBondContact O-CD2 3.45Å; H314-Y320 AromaticContact CE1-CD1 3.75Å; H314-Y320 AromaticContact CE1-CD2 3.46Å; H314-Y320 VanDerWaalsContact CE1-CD2 3.46Å; H314-Y320 WeakPolarHBondContact CE1-CD2 3.45Å; H314-Y320 AromaticContact CE1-CG 3.33Å; H314-Y320 AromaticContact NE2-CD2 3.87Å; H314-F326 AromaticContact CD2-CE1 3.99Å; H314-F326 AromaticContact CD2-CE2 3.99Å; H314-F326 AromaticContact CD2-CZ 3.97Å; H314-F326 AromaticContact NE2-CD1 3.84Å; H314-F326 AromaticContact NE2-CD2 3.55Å; H314-F326 AromaticContact NE2-CE2 3.99Å; H314-F326 AromaticContact NE2-CG 3.5Å; H314-F326 WeakPolarHBondContact NE2-CG 3.47Å; H314-Y340 HydrophobicContact CB-CD1 4.17Å; H314-Y340 HydrophobicContact CB-CE1 4.19Å; H314-N348 PolarHBondContact ND1-ND2 2.88Å
315	R	98.1	Very high	97.9	Very high	60 Å²	60	19.7 Å²	19.7	23%	0.226	12%	0.115	C	C	.	.	H	α-helix	trans	-64.6	-47.9	-175.7	-167.8	167.9	-176.7	115.2	1.6	112.8	A311 L312 T313 G319 Y320 D322	A311-R315 WeakPolarHBondContact O-CB 3.3Å; A311-R315 PolarHBondContact O-N 2.82Å; L312-R315 PolarHBondContact O-N 3.38Å; L312-R315 VanDerWaalsContact O-N 3.16Å; T313-R315 PolarHBondContact O-N 3.04Å; R315-G319 CarbonylContact O-C 3.31Å; R315-G319 WeakPolarHBondContact O-CA 3.46Å; R315-G319 PolarHBondContact O-N 3.44Å; R315-Y320 PolarHBondContact O-N 2.66Å; R315-D322 IonicContact CZ-OD1 2.76Å; R315-D322 IonicContact NH1-OD1 3.11Å; R315-D322 PolarHBondContact NH1-OD1 2.98Å; R315-D322 IonicContact NH2-OD1 2.63Å
316	Y	97.8	Very high	97.9	Very high	9 Å²	9	19.7 Å²	19.7	4%	0.035	12%	0.115	C	C	.	.	H	α-helix	trans	-92.5	-33.6	-167.7	-66.1	-61.1	0	0	0	114.9	F40 M41 E43 R75 L312 F468	F40-Y316 HydrophobicContact CD1-CD1 4.35Å; F40-Y316 HydrophobicContact CD1-CE1 4.41Å; F40-Y316 AromaticContact CE1-CD1 3.55Å; F40-Y316 HydrophobicContact CE1-CD1 3.55Å; F40-Y316 HydrophobicContact CE1-CE1 4.03Å; F40-Y316 HydrophobicContact CE1-CG 4.3Å; F40-Y316 HydrophobicContact CE2-CD1 4.34Å; F40-Y316 AromaticContact CZ-CD1 3.52Å; F40-Y316 HydrophobicContact CZ-CD1 3.52Å; F40-Y316 HydrophobicContact CZ-CE1 4.29Å; F40-Y316 HydrophobicContact CZ-CG 4.31Å; F40-Y316 WeakPolarHBondContact O-CE1 3.5Å; M41-Y316 HydrophobicContact CB-CE1 4.07Å; M41-Y316 HydrophobicContact CE-CE2 4.33Å; M41-Y316 HydrophobicContact CG-CE1 4.37Å; M41-Y316 HydrophobicContact CG-CE2 4.29Å; M41-Y316 WeakPolarHBondContact CG-OH 3.29Å; M41-Y316 HydrophobicContact SD-CE2 4.17Å; E43-Y316 PolarHBondContact OE2-OH 2.67Å; R75-Y316 PolarHBondContact NH2-OH 3.36Å; L312-Y316 HydrophobicContact CB-CD2 4.36Å; L312-Y316 HydrophobicContact CD2-CD2 4.18Å; L312-Y316 HydrophobicContact CD2-CE2 3.62Å; L312-Y316 WeakPolarHBondContact O-CD2 3.39Å; L312-Y316 PolarHBondContact O-N 3.28Å; Y316-F468 HydrophobicContact CD2-CZ 4.45Å
317	V	98.3	Very high	97.8	Very high	0 Å²	0	19.7 Å²	19.7	0%	0	12%	0.115	C	C	.	.	H	α-helix	trans	-71.6	-41.5	178.3	179.8	0	0	0	0	110.1	T313 V435 T437 I446 A449 K451 F468	T313-V317 WeakPolarHBondContact O-CB 3.46Å; T313-V317 VanDerWaalsContact O-CG2 3.3Å; T313-V317 WeakPolarHBondContact O-CG2 3.47Å; T313-V317 PolarHBondContact O-N 2.96Å; V317-V435 HydrophobicContact CG1-CB 4.43Å; V317-V435 HydrophobicContact CG1-CG2 4.27Å; V317-T437 HydrophobicContact CG1-CG2 3.94Å; V317-I446 HydrophobicContact CB-CD1 4.22Å; V317-I446 HydrophobicContact CG1-CD1 4.11Å; V317-I446 HydrophobicContact CG2-CB 4.41Å; V317-I446 HydrophobicContact CG2-CD1 4.26Å; V317-I446 HydrophobicContact CG2-CG2 4.04Å; V317-A449 HydrophobicContact CG1-CB 3.84Å; V317-K451 WeakPolarHBondContact O-CB 3.31Å; V317-F468 HydrophobicContact CG2-CD2 3.83Å; V317-F468 HydrophobicContact CG2-CE2 3.81Å
318	F	98.3	Very high	97.8	Very high	0 Å²	0	19.8 Å²	19.8	0%	0	12%	0.115	C	C	.	.	T	Hydrogen-bonded Turn	trans	-89	-6.9	-179.1	-60.8	-78.5	0	0	0	113.6	H314 Y320 F326 Y340 Q378 Y380 T407 V435 I446	H314-F318 WeakPolarHBondContact O-CB 3.19Å; H314-F318 WeakPolarHBondContact O-CD2 3.45Å; F318-Y320 VanDerWaalsContact C-N 3.27Å; F318-Y320 PolarHBondContact O-N 2.96Å; F318-F326 HydrophobicContact CB-CE2 3.87Å; F318-F326 AromaticContact CD1-CE2 3.69Å; F318-F326 HydrophobicContact CD1-CE2 3.69Å; F318-F326 AromaticContact CD1-CZ 4Å; F318-F326 HydrophobicContact CD1-CZ 4Å; F318-F326 AromaticContact CD2-CE2 3.83Å; F318-F326 HydrophobicContact CD2-CE2 3.83Å; F318-F326 AromaticContact CD2-CZ 3.87Å; F318-F326 HydrophobicContact CD2-CZ 3.87Å; F318-F326 HydrophobicContact CE1-CE2 4.15Å; F318-F326 AromaticContact CE1-CZ 3.98Å; F318-F326 HydrophobicContact CE1-CZ 3.98Å; F318-F326 HydrophobicContact CE2-CE2 4.27Å; F318-F326 AromaticContact CE2-CZ 3.85Å; F318-F326 HydrophobicContact CE2-CZ 3.85Å; F318-F326 AromaticContact CG-CE2 3.51Å; F318-F326 HydrophobicContact CG-CE2 3.51Å; F318-F326 AromaticContact CG-CZ 3.94Å; F318-F326 HydrophobicContact CG-CZ 3.94Å; F318-F326 HydrophobicContact CZ-CE2 4.42Å; F318-F326 AromaticContact CZ-CZ 3.91Å; F318-F326 HydrophobicContact CZ-CZ 3.91Å; F318-Y340 AromaticContact CE2-CD1 3.99Å; F318-Y340 HydrophobicContact CE2-CD1 3.99Å; F318-Y340 HydrophobicContact CE2-CE1 4.22Å; F318-Q378 HydrophobicContact CB-CG 4.19Å; F318-Y380 HydrophobicContact CE1-CD1 4.15Å; F318-Y380 AromaticContact CE1-CD2 3.77Å; F318-Y380 HydrophobicContact CE1-CD2 3.77Å; F318-Y380 HydrophobicContact CE1-CE1 4.46Å; F318-Y380 HydrophobicContact CE1-CE2 4.04Å; F318-Y380 AromaticContact CE1-CG 3.79Å; F318-Y380 HydrophobicContact CE1-CG 3.79Å; F318-Y380 AromaticContact CZ-CD1 3.7Å; F318-Y380 HydrophobicContact CZ-CD1 3.7Å; F318-Y380 AromaticContact CZ-CD2 3.91Å; F318-Y380 HydrophobicContact CZ-CD2 3.91Å; F318-Y380 AromaticContact CZ-CE1 3.67Å; F318-Y380 HydrophobicContact CZ-CE1 3.67Å; F318-Y380 AromaticContact CZ-CE2 3.83Å; F318-Y380 HydrophobicContact CZ-CE2 3.83Å; F318-Y380 AromaticContact CZ-CG 3.82Å; F318-Y380 HydrophobicContact CZ-CG 3.82Å; F318-Y380 AromaticContact CZ-CZ 3.7Å; F318-T407 HydrophobicContact CD1-CG2 4.41Å; F318-T407 PolarHBondContact O-OG1 3.26Å; F318-V435 HydrophobicContact CD1-CG2 4.29Å; F318-V435 HydrophobicContact CE1-CG2 4.22Å; F318-I446 HydrophobicContact CE2-CD1 3.68Å; F318-I446 HydrophobicContact CZ-CD1 3.94Å
319	G	96	Very high	97.6	Very high	23 Å²	23	20.8 Å²	20.8	24%	0.237	12%	0.121	C	C	.	.	T	Hydrogen-bonded Turn	trans	56.2	44.9	-174.5	0	0	0	0	0	111.4	R315 H321	R315-G319 CarbonylContact O-C 3.31Å; R315-G319 WeakPolarHBondContact O-CA 3.46Å; R315-G319 PolarHBondContact O-N 3.44Å; G319-H321 PolarHBondContact O-CE1 3.15Å; G319-H321 PolarHBondContact O-ND1 2.83Å
320	Y	97.3	Very high	97.1	Very high	4 Å²	4	21.9 Å²	21.9	2%	0.016	13%	0.131	C	C	.	.			trans	-70.1	132.9	-178.6	174	-91.1	0	0	0	110.7	H314 R315 F318 D324 N348 G350	H314-Y320 AromaticContact CE1-CD1 3.75Å; H314-Y320 AromaticContact CE1-CD2 3.46Å; H314-Y320 VanDerWaalsContact CE1-CD2 3.46Å; H314-Y320 WeakPolarHBondContact CE1-CD2 3.45Å; H314-Y320 AromaticContact CE1-CG 3.33Å; H314-Y320 AromaticContact NE2-CD2 3.87Å; R315-Y320 PolarHBondContact O-N 2.66Å; F318-Y320 VanDerWaalsContact C-N 3.27Å; F318-Y320 PolarHBondContact O-N 2.96Å; Y320-D324 HydrophobicContact CD2-CB 3.79Å; Y320-D324 HydrophobicContact CE2-CB 3.54Å; Y320-D324 PolarHBondContact OH-O 2.53Å; Y320-N348 HydrophobicContact CD1-CB 4.34Å; Y320-N348 HydrophobicContact CE1-CB 4.21Å; Y320-G350 WeakPolarHBondContact OH-CA 3.06Å
321	H	95.5	Very high	96.7	Very high	121 Å²	121	23.3 Å²	23.3	56%	0.56	14%	0.138	S	C	*	.			trans	-117.2	151.1	173.1	-57.1	83.4	0	0	0	110.9	G319 G323 D324	G319-H321 PolarHBondContact O-CE1 3.15Å; G319-H321 PolarHBondContact O-ND1 2.83Å; H321-G323 PolarHBondContact O-N 3.35Å; H321-D324 PolarHBondContact N-OD2 2.91Å; H321-D324 IonicContact ND1-OD2 3.79Å; H321-D324 VanDerWaalsContact O-CB 3.24Å; H321-D324 WeakPolarHBondContact O-CB 3.17Å; H321-D324 PolarHBondContact O-N 3.46Å
322	D	94.2	Very high	96.5	Very high	99 Å²	99	23.1 Å²	23.1	53%	0.529	14%	0.137	S	C	.	.	T	Hydrogen-bonded Turn	trans	-56.5	123.9	176.9	-67.7	23.2	0	0	0	110.2	R315	R315-D322 IonicContact CZ-OD1 2.76Å; R315-D322 IonicContact NH1-OD1 3.11Å; R315-D322 PolarHBondContact NH1-OD1 2.98Å; R315-D322 IonicContact NH2-OD1 2.63Å
323	G	94.1	Very high	95.9	Very high	52 Å²	52	23.3 Å²	23.3	54%	0.536	14%	0.139	S	C	.	.	T	Hydrogen-bonded Turn	trans	101.9	-14.4	-175.5	0	0	0	0	0	114.5	H321	H321-G323 PolarHBondContact O-N 3.35Å
324	D	98.4	Very high	95.3	Very high	23 Å²	23	27.1 Å²	27.1	12%	0.123	15%	0.154	C	C	.	.			trans	-64.7	148.5	174.3	-73.2	-15.5	0	0	0	111.7	Y320 H321 N377 Q378	Y320-D324 HydrophobicContact CD2-CB 3.79Å; Y320-D324 HydrophobicContact CE2-CB 3.54Å; Y320-D324 PolarHBondContact OH-O 2.53Å; H321-D324 PolarHBondContact N-OD2 2.91Å; H321-D324 IonicContact ND1-OD2 3.79Å; H321-D324 VanDerWaalsContact O-CB 3.24Å; H321-D324 WeakPolarHBondContact O-CB 3.17Å; H321-D324 PolarHBondContact O-N 3.46Å; D324-N377 VanDerWaalsContact CA-OD1 3.3Å; D324-N377 WeakPolarHBondContact CA-OD1 3.02Å; D324-N377 HydrophobicContact CB-CB 3.96Å; D324-Q378 PolarHBondContact OD2-NE2 2.95Å
325	V	98.8	Very high	95.2	Very high	18 Å²	18	27.7 Å²	27.7	11%	0.109	16%	0.156	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.5	112.3	169.7	-177.9	0	0	0	0	109.4	I124 T351 V353 I376 N377	I124-V325 HydrophobicContact CD1-CG1 3.95Å; V325-T351 HydrophobicContact CG1-CG2 4.35Å; V325-T351 HydrophobicContact CG2-CG2 4.25Å; V325-V353 HydrophobicContact CG1-CG2 3.77Å; V325-I376 HydrophobicContact CG1-CG1 4.15Å; V325-N377 PolarHBondContact N-OD1 3.35Å; V325-N377 PolarHBondContact O-N 3.35Å
326	F	98.9	Very high	95.1	Very high	0 Å²	0	25.6 Å²	25.6	0%	0	15%	0.15	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.6	113.3	-178.6	-168.5	-101.8	0	0	0	111.7	H314 F318 C328 Y340 P345 T351 T352 V353 Q378 Y380	H314-F326 AromaticContact CD2-CE1 3.99Å; H314-F326 AromaticContact CD2-CE2 3.99Å; H314-F326 AromaticContact CD2-CZ 3.97Å; H314-F326 AromaticContact NE2-CD1 3.84Å; H314-F326 AromaticContact NE2-CD2 3.55Å; H314-F326 AromaticContact NE2-CE2 3.99Å; H314-F326 AromaticContact NE2-CG 3.5Å; H314-F326 WeakPolarHBondContact NE2-CG 3.47Å; F318-F326 HydrophobicContact CB-CE2 3.87Å; F318-F326 AromaticContact CD1-CE2 3.69Å; F318-F326 HydrophobicContact CD1-CE2 3.69Å; F318-F326 AromaticContact CD1-CZ 4Å; F318-F326 HydrophobicContact CD1-CZ 4Å; F318-F326 AromaticContact CD2-CE2 3.83Å; F318-F326 HydrophobicContact CD2-CE2 3.83Å; F318-F326 AromaticContact CD2-CZ 3.87Å; F318-F326 HydrophobicContact CD2-CZ 3.87Å; F318-F326 HydrophobicContact CE1-CE2 4.15Å; F318-F326 AromaticContact CE1-CZ 3.98Å; F318-F326 HydrophobicContact CE1-CZ 3.98Å; F318-F326 HydrophobicContact CE2-CE2 4.27Å; F318-F326 AromaticContact CE2-CZ 3.85Å; F318-F326 HydrophobicContact CE2-CZ 3.85Å; F318-F326 AromaticContact CG-CE2 3.51Å; F318-F326 HydrophobicContact CG-CE2 3.51Å; F318-F326 AromaticContact CG-CZ 3.94Å; F318-F326 HydrophobicContact CG-CZ 3.94Å; F318-F326 HydrophobicContact CZ-CE2 4.42Å; F318-F326 AromaticContact CZ-CZ 3.91Å; F318-F326 HydrophobicContact CZ-CZ 3.91Å; F326-C328 HydrophobicContact CD1-CB 4.16Å; F326-C328 HydrophobicContact CE1-CB 3.68Å; F326-Y340 WeakPolarHBondContact CD1-O 3.45Å; F326-Y340 WeakPolarHBondContact CE1-O 3.5Å; F326-P345 HydrophobicContact CD1-CG 3.84Å; F326-P345 HydrophobicContact CE1-CG 4.37Å; F326-T351 PolarHBondContact N-O 3.32Å; F326-T352 WeakPolarHBondContact O-CA 3.37Å; F326-T352 PolarHBondContact O-OG1 2.84Å; F326-V353 PolarHBondContact O-N 3.34Å; F326-Q378 HydrophobicContact CD2-CB 3.63Å; F326-Q378 HydrophobicContact CD2-CG 4.34Å; F326-Q378 HydrophobicContact CE2-CB 3.7Å; F326-Y380 HydrophobicContact CZ-CD1 4.26Å
327	G	98.4	Very high	95.1	Very high	0 Å²	0	25.2 Å²	25.2	0%	0	15%	0.149	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.7	78.7	-177.4	0	0	0	0	0	113.6	Q378 Y380	G327-Q378 WeakPolarHBondContact CA-O 3.2Å; G327-Q378 PolarHBondContact N-O 3.47Å; G327-Y380 PolarHBondContact O-N 2.94Å
328	C	98.1	Very high	95.1	Very high	2 Å²	2	25.2 Å²	25.2	1%	0.014	15%	0.149	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.8	114	168.1	-175.5	0	0	0	0	110.9	F326 A330 T341 Y380	F326-C328 HydrophobicContact CD1-CB 4.16Å; F326-C328 HydrophobicContact CE1-CB 3.68Å; C328-A330 VanDerWaalsContact C-N 3.27Å; C328-A330 PolarHBondContact O-N 2.92Å; C328-T341 PolarHBondContact O-OG1 3.11Å; C328-T341 PolarHBondContact SG-OG1 3.32Å; C328-Y380 WeakPolarHBondContact CA-O 3.48Å; C328-Y380 HydrophobicContact CB-CD1 4.18Å; C328-Y380 VanDerWaalsContact SG-CD1 3.56Å
329	V	95.9	Very high	95.2	Very high	20 Å²	20	25.2 Å²	25.2	12%	0.121	15%	0.149	C	C	.	.			trans	-90	13.6	-177	-60.5	0	0	0	0	113.5	F355 Y367 M370 F379 Y380	V329-F355 HydrophobicContact CB-CB 4.23Å; V329-F355 HydrophobicContact CB-CD1 4.08Å; V329-F355 HydrophobicContact CB-CG 4.34Å; V329-F355 HydrophobicContact CG1-CB 4.04Å; V329-F355 HydrophobicContact CG1-CD1 4.23Å; V329-F355 HydrophobicContact CG1-CG 4.1Å; V329-Y367 HydrophobicContact CB-CE1 4.19Å; V329-Y367 HydrophobicContact CG1-CD1 4.38Å; V329-Y367 HydrophobicContact CG1-CE1 3.98Å; V329-Y367 HydrophobicContact CG2-CE1 4.25Å; V329-Y367 HydrophobicContact CG2-CE2 4.36Å; V329-M370 HydrophobicContact CG1-CE 3.81Å; V329-F379 HydrophobicContact CG1-CE2 3.72Å; V329-F379 HydrophobicContact CG1-CZ 3.91Å; V329-F379 HydrophobicContact CG2-CE1 4.49Å; V329-F379 HydrophobicContact CG2-CZ 3.97Å; V329-Y380 PolarHBondContact N-O 3.35Å; V329-Y380 VanDerWaalsContact N-O 3.08Å
330	A	87.8	Confident	95.3	Very high	24 Å²	24	24.1 Å²	24.1	20%	0.198	14%	0.137	C	C	.	.			trans	-76.8	147.3	177.7	0	0	0	0	0	111.5	C328 T336	C328-A330 VanDerWaalsContact C-N 3.27Å; C328-A330 PolarHBondContact O-N 2.92Å; A330-T336 HydrophobicContact CB-CG2 3.51Å
331	D	90.4	Very high	95.3	Very high	29 Å²	29	23.9 Å²	23.9	16%	0.155	14%	0.137	C	C	.	.			trans	-74.8	141.4	174.5	-171.7	-73.7	0	0	0	111	T169 F191 G333 W334	T169-D331 WeakPolarHBondContact OG1-CA 3.28Å; F191-D331 HydrophobicContact CD2-CB 4.35Å; F191-D331 WeakPolarHBondContact CD2-OD1 3.11Å; F191-D331 HydrophobicContact CE2-CB 4.15Å; D331-G333 PolarHBondContact O-N 2.91Å; D331-G333 WeakPolarHBondContact OD1-CA 3.23Å; D331-G333 PolarHBondContact OD1-N 3.42Å; D331-W334 PolarHBondContact O-N 3.26Å; D331-W334 VanDerWaalsContact O-N 3.14Å
332	I	94	Very high	95.5	Very high	0 Å²	0	18.1 Å²	18.1	0%	0	11%	0.11	C	C	.	.	T	Hydrogen-bonded Turn	trans	-65.6	-16.8	179.8	61	169.1	0	0	0	113.6	T169 A173 M177 V189 W334 H338 T341 V342	T169-I332 HydrophobicContact CG2-CG2 4.01Å; T169-I332 PolarHBondContact OG1-N 2.88Å; A173-I332 HydrophobicContact CB-CD1 3.33Å; M177-I332 HydrophobicContact SD-CD1 4.39Å; V189-I332 HydrophobicContact CG1-CD1 4.46Å; V189-I332 HydrophobicContact CG1-CG1 4.28Å; I332-W334 PolarHBondContact O-N 3.36Å; I332-W334 VanDerWaalsContact O-N 3.14Å; I332-H338 PolarHBondContact O-CE1 3.32Å; I332-H338 PolarHBondContact O-ND1 3.41Å; I332-T341 HydrophobicContact CG2-CG2 4.41Å; I332-V342 HydrophobicContact CG2-CG2 4.17Å
333	G	87.3	Confident	95.7	Very high	6 Å²	6	13.4 Å²	13.4	6%	0.062	9%	0.085	C	C	.	.	T	Hydrogen-bonded Turn	trans	-67.3	-3.1	170.7	0	0	0	0	0	114.6	D331	D331-G333 PolarHBondContact O-N 2.91Å; D331-G333 WeakPolarHBondContact OD1-CA 3.23Å; D331-G333 PolarHBondContact OD1-N 3.42Å
334	W	84.9	Confident	95.9	Very high	80 Å²	80	11 Å²	11	30%	0.303	6%	0.059	S	C	.	.	S	Bend	trans	-118.4	162	174.4	-51.9	102.3	0	0	0	111.4	F191 F194 D331 I332 T336 G337 H338	F191-W334 HydrophobicContact CD1-CZ2 4.25Å; F191-W334 HydrophobicContact CG-CZ2 4.35Å; F194-W334 HydrophobicContact CZ-CH2 4.29Å; D331-W334 PolarHBondContact O-N 3.26Å; D331-W334 VanDerWaalsContact O-N 3.14Å; I332-W334 PolarHBondContact O-N 3.36Å; I332-W334 VanDerWaalsContact O-N 3.14Å; W334-T336 PolarHBondContact O-N 2.94Å; W334-G337 PolarHBondContact O-N 2.83Å; W334-G337 VanDerWaalsContact O-N 3.08Å; W334-H338 PolarHBondContact O-N 2.84Å; W334-H338 PolarHBondContact O-ND1 3.27Å
335	I	96.1	Very high	96	Very high	11 Å²	11	9.9 Å²	9.9	6%	0.056	5%	0.053	C	C	.	.	H	α-helix	trans	-61.5	-32.8	-179.5	-168	68.7	0	0	0	112	F285 L287 Y306 G337 H338 S339 W439 T441	F285-I335 HydrophobicContact CE2-CD1 4.07Å; F285-I335 HydrophobicContact CZ-CD1 3.83Å; L287-I335 HydrophobicContact CD2-CB 3.76Å; L287-I335 HydrophobicContact CD2-CD1 3.96Å; L287-I335 HydrophobicContact CD2-CG1 4.46Å; Y306-I335 HydrophobicContact CE2-CD1 4.33Å; I335-G337 VanDerWaalsContact C-N 3.31Å; I335-G337 PolarHBondContact O-N 3.44Å; I335-H338 HydrophobicContact CD1-CB 4.36Å; I335-H338 WeakPolarHBondContact O-CB 3.33Å; I335-H338 PolarHBondContact O-N 2.97Å; I335-S339 PolarHBondContact O-N 3.09Å; I335-S339 PolarHBondContact O-OG 3.44Å; I335-W439 HydrophobicContact CB-CH2 4.29Å; I335-W439 HydrophobicContact CB-CZ3 4.2Å; I335-W439 HydrophobicContact CG1-CH2 3.99Å; I335-W439 HydrophobicContact CG1-CZ3 3.54Å; I335-W439 HydrophobicContact CG2-CE3 4.43Å; I335-W439 HydrophobicContact CG2-CH2 3.72Å; I335-W439 HydrophobicContact CG2-CZ2 4.46Å; I335-W439 HydrophobicContact CG2-CZ3 3.72Å; I335-T441 HydrophobicContact CB-CG2 4.25Å; I335-T441 HydrophobicContact CD1-CG2 4.47Å
336	T	96.9	Very high	96	Very high	17 Å²	17	9 Å²	9	10%	0.104	5%	0.048	C	C	.	.	H	α-helix	trans	-58.2	-44.1	174.9	-50.1	0	0	0	0	111.6	A330 W334 Y340 T341 Y380 V411 W439	A330-T336 HydrophobicContact CB-CG2 3.51Å; W334-T336 PolarHBondContact O-N 2.94Å; T336-Y340 HydrophobicContact CG2-CD2 4.45Å; T336-Y340 WeakPolarHBondContact O-CA 3.32Å; T336-Y340 WeakPolarHBondContact O-CB 3.28Å; T336-Y340 PolarHBondContact O-N 3.49Å; T336-T341 PolarHBondContact O-N 3.21Å; T336-Y380 HydrophobicContact CG2-CD1 4.2Å; T336-Y380 HydrophobicContact CG2-CE1 3.65Å; T336-V411 HydrophobicContact CG2-CG1 4.04Å; T336-V411 HydrophobicContact CG2-CG2 4.44Å; T336-W439 HydrophobicContact CG2-CZ2 4.2Å; T336-W439 WeakPolarHBondContact OG1-CZ2 3.5Å
337	G	97.6	Very high	96	Very high	0 Å²	0	9 Å²	9	0%	0	5%	0.048	C	C	.	.	I	π-helix	trans	-69.6	-35.1	177.3	0	0	0	0	0	112.6	W334 I335 T341 V342	W334-G337 PolarHBondContact O-N 2.83Å; W334-G337 VanDerWaalsContact O-N 3.08Å; I335-G337 VanDerWaalsContact C-N 3.31Å; I335-G337 PolarHBondContact O-N 3.44Å; G337-T341 CarbonylContact O-C 3.36Å; G337-T341 WeakPolarHBondContact O-CA 3.36Å; G337-T341 WeakPolarHBondContact O-CB 3.48Å; G337-T341 PolarHBondContact O-N 3.31Å; G337-T341 VanDerWaalsContact O-N 3.12Å; G337-V342 PolarHBondContact O-N 3.16Å
338	H	98.8	Very high	96	Very high	0 Å²	0	9.6 Å²	9.6	0%	0	5%	0.052	C	C	.	.	I	π-helix	trans	-60.7	-59.3	171.8	-73.1	57.5	0	0	0	111.1	H187 F285 Y306 I332 W334 I335 V342 Y343	H187-H338 AromaticContact CE1-CD2 3.74Å; H187-H338 AromaticContact CE1-NE2 3.57Å; F285-H338 AromaticContact CD2-CD2 3.87Å; F285-H338 AromaticContact CE2-CD2 3.86Å; Y306-H338 WeakPolarHBondContact OH-CB 3.45Å; I332-H338 PolarHBondContact O-CE1 3.32Å; I332-H338 PolarHBondContact O-ND1 3.41Å; W334-H338 PolarHBondContact O-N 2.84Å; W334-H338 PolarHBondContact O-ND1 3.27Å; I335-H338 HydrophobicContact CD1-CB 4.36Å; I335-H338 WeakPolarHBondContact O-CB 3.33Å; I335-H338 PolarHBondContact O-N 2.97Å; H338-V342 PolarHBondContact O-N 2.89Å; H338-Y343 HydrophobicContact CB-CD2 4.3Å; H338-Y343 HydrophobicContact CB-CE2 4.42Å; H338-Y343 WeakPolarHBondContact O-CD2 3.46Å; H338-Y343 PolarHBondContact O-N 3.26Å
339	S	98.9	Very high	96	Very high	0 Å²	0	9.5 Å²	9.5	0%	0	5%	0.051	C	C	.	.	I	π-helix	trans	-76.5	-34.6	-169	-56.4	0	0	0	0	113	Y306 I335 G344 G444	Y306-S339 WeakPolarHBondContact CE2-OG 3.38Å; Y306-S339 VanDerWaalsContact OH-CA 3.32Å; Y306-S339 WeakPolarHBondContact OH-CA 3.48Å; Y306-S339 PolarHBondContact OH-N 2.93Å; Y306-S339 PolarHBondContact OH-OG 3.13Å; I335-S339 PolarHBondContact O-N 3.09Å; I335-S339 PolarHBondContact O-OG 3.44Å; S339-G344 VanDerWaalsContact O-CA 3.27Å; S339-G344 WeakPolarHBondContact O-CA 3.38Å; S339-G344 PolarHBondContact O-N 3.33Å; S339-G444 PolarHBondContact OG-O 3.42Å
340	Y	98.8	Very high	96	Very high	0 Å²	0	8.6 Å²	8.6	0%	0	5%	0.045	C	C	.	.	I	π-helix	trans	-121.4	-10.7	-168.9	-57.9	-63.6	0	0	0	114.9	T313 H314 F318 F326 T336 P345 Y380 W439 G445 I446	T313-Y340 WeakPolarHBondContact CB-OH 3.29Å; T313-Y340 PolarHBondContact OG1-OH 3.38Å; H314-Y340 HydrophobicContact CB-CD1 4.17Å; H314-Y340 HydrophobicContact CB-CE1 4.19Å; F318-Y340 AromaticContact CE2-CD1 3.99Å; F318-Y340 HydrophobicContact CE2-CD1 3.99Å; F318-Y340 HydrophobicContact CE2-CE1 4.22Å; F326-Y340 WeakPolarHBondContact CD1-O 3.45Å; F326-Y340 WeakPolarHBondContact CE1-O 3.5Å; T336-Y340 HydrophobicContact CG2-CD2 4.45Å; T336-Y340 WeakPolarHBondContact O-CA 3.32Å; T336-Y340 WeakPolarHBondContact O-CB 3.28Å; T336-Y340 PolarHBondContact O-N 3.49Å; Y340-P345 WeakPolarHBondContact O-CG 3.39Å; Y340-Y380 AromaticContact CD2-CE1 3.83Å; Y340-Y380 HydrophobicContact CD2-CE1 3.83Å; Y340-Y380 AromaticContact CG-CE1 3.96Å; Y340-Y380 HydrophobicContact CG-CE1 3.96Å; Y340-W439 AromaticContact CD2-CH2 3.61Å; Y340-W439 HydrophobicContact CD2-CH2 3.61Å; Y340-W439 AromaticContact CD2-CZ2 3.47Å; Y340-W439 HydrophobicContact CD2-CZ2 3.47Å; Y340-W439 VanDerWaalsContact CD2-CZ2 3.47Å; Y340-W439 HydrophobicContact CE2-CD2 4.32Å; Y340-W439 AromaticContact CE2-CE2 3.74Å; Y340-W439 HydrophobicContact CE2-CE3 4.4Å; Y340-W439 AromaticContact CE2-CH2 3.34Å; Y340-W439 HydrophobicContact CE2-CH2 3.34Å; Y340-W439 AromaticContact CE2-CZ2 3.27Å; Y340-W439 HydrophobicContact CE2-CZ2 3.27Å; Y340-W439 AromaticContact CE2-CZ3 3.92Å; Y340-W439 HydrophobicContact CE2-CZ3 3.92Å; Y340-G445 WeakPolarHBondContact OH-CA 3.35Å; Y340-I446 HydrophobicContact CE1-CD1 3.95Å; Y340-I446 HydrophobicContact CE1-CG1 4.5Å; Y340-I446 HydrophobicContact CE2-CD1 3.93Å; Y340-I446 HydrophobicContact CE2-CG1 3.81Å; Y340-I446 VanDerWaalsContact OH-CG1 3.28Å; Y340-I446 WeakPolarHBondContact OH-CG1 3.46Å; Y340-I446 PolarHBondContact OH-N 3.18Å
341	T	98.4	Very high	96.6	Very high	0 Å²	0	8 Å²	8	0%	0	4%	0.04	C	C	.	.	I	π-helix	trans	-96.9	-28.7	164.7	-54.1	0	0	0	0	111.6	T169 C328 I332 T336 G337 T352 L354	T169-T341 HydrophobicContact CG2-CG2 4.45Å; C328-T341 PolarHBondContact O-OG1 3.11Å; C328-T341 PolarHBondContact SG-OG1 3.32Å; I332-T341 HydrophobicContact CG2-CG2 4.41Å; T336-T341 PolarHBondContact O-N 3.21Å; G337-T341 CarbonylContact O-C 3.36Å; G337-T341 WeakPolarHBondContact O-CA 3.36Å; G337-T341 WeakPolarHBondContact O-CB 3.48Å; G337-T341 PolarHBondContact O-N 3.31Å; G337-T341 VanDerWaalsContact O-N 3.12Å; T341-T352 WeakPolarHBondContact O-CG2 3.4Å; T341-T352 PolarHBondContact O-OG1 3.48Å; T341-L354 HydrophobicContact CG2-CD2 3.38Å
342	V	98.9	Very high	97	Very high	0 Å²	0	6.7 Å²	6.7	0%	0	3%	0.032	C	C	.	.	I	π-helix	trans	-114.4	-76.9	-176	-178.4	0	0	0	0	112.4	V174 M177 I332 G337 H338 L346	V174-V342 HydrophobicContact CG1-CG1 3.96Å; V174-V342 HydrophobicContact CG1-CG2 4.24Å; V174-V342 HydrophobicContact CG2-CG2 3.91Å; M177-V342 HydrophobicContact CE-CB 4.3Å; M177-V342 HydrophobicContact CE-CG1 4.3Å; M177-V342 HydrophobicContact CE-CG2 4.14Å; M177-V342 HydrophobicContact SD-CG2 4.16Å; I332-V342 HydrophobicContact CG2-CG2 4.17Å; G337-V342 PolarHBondContact O-N 3.16Å; H338-V342 PolarHBondContact O-N 2.89Å; V342-L346 HydrophobicContact CG1-CD1 4.08Å; V342-L346 VanDerWaalsContact O-CB 3.27Å; V342-L346 WeakPolarHBondContact O-CB 3.44Å; V342-L346 WeakPolarHBondContact O-CG 3.44Å; V342-L346 PolarHBondContact O-N 3.38Å; V342-L346 VanDerWaalsContact O-N 3.17Å
343	Y	98.9	Very high	97.2	Very high	0 Å²	0	6.7 Å²	6.7	0%	0	3%	0.032	C	C	.	.	I	π-helix	trans	-70	-48.8	-161.1	-69.8	-65.9	0	0	0	113.9	V105 M177 L178 H187 L284 Y306 L307 H338 A347	V105-Y343 HydrophobicContact CG1-CD1 3.75Å; V105-Y343 HydrophobicContact CG1-CE1 3.56Å; M177-Y343 HydrophobicContact CE-CE2 3.76Å; L178-Y343 HydrophobicContact CD2-CE1 4.07Å; H187-Y343 AromaticContact NE2-CZ 3.83Å; H187-Y343 PolarHBondContact NE2-OH 3.25Å; L284-Y343 HydrophobicContact CD2-CE1 4.44Å; Y306-Y343 AromaticContact CE1-CD2 3.48Å; Y306-Y343 HydrophobicContact CE1-CD2 3.48Å; Y306-Y343 VanDerWaalsContact CE1-CD2 3.48Å; Y306-Y343 HydrophobicContact CE1-CE2 4.11Å; Y306-Y343 AromaticContact CE1-CG 3.82Å; Y306-Y343 HydrophobicContact CE1-CG 3.82Å; Y306-Y343 AromaticContact CZ-CD2 3.93Å; Y306-Y343 WeakPolarHBondContact OH-CD2 3.44Å; L307-Y343 HydrophobicContact CD1-CD1 4.26Å; H338-Y343 HydrophobicContact CB-CD2 4.3Å; H338-Y343 HydrophobicContact CB-CE2 4.42Å; H338-Y343 WeakPolarHBondContact O-CD2 3.46Å; H338-Y343 PolarHBondContact O-N 3.26Å; Y343-A347 WeakPolarHBondContact O-CB 3.5Å; Y343-A347 PolarHBondContact O-N 2.98Å
344	G	98.8	Very high	97.7	Very high	0 Å²	0	6.4 Å²	6.4	0%	0	3%	0.029	C	C	.	.	H	α-helix	trans	-60.9	-53.1	-177.9	0	0	0	0	0	113.6	S339 N348	S339-G344 VanDerWaalsContact O-CA 3.27Å; S339-G344 WeakPolarHBondContact O-CA 3.38Å; S339-G344 PolarHBondContact O-N 3.33Å; G344-N348 PolarHBondContact O-N 3.02Å; G344-N348 PolarHBondContact O-ND2 2.99Å
345	P	98.8	Very high	98.3	Very high	0 Å²	0	3.1 Å²	3.1	0%	0	2%	0.017	C	C	.	.	H	α-helix	trans	-62.2	-47.9	177	-22.1	30.9	0	0	0	113.3	F326 Y340 A347 N348 G349 G350 T352	F326-P345 HydrophobicContact CD1-CG 3.84Å; F326-P345 HydrophobicContact CE1-CG 4.37Å; Y340-P345 WeakPolarHBondContact O-CG 3.39Å; P345-A347 PolarHBondContact O-N 3.31Å; P345-N348 CarbonylContact O-C 3.54Å; P345-N348 PolarHBondContact O-N 2.85Å; P345-N348 VanDerWaalsContact O-N 3.09Å; P345-G349 PolarHBondContact O-N 3.2Å; P345-G350 PolarHBondContact O-N 2.93Å; P345-T352 HydrophobicContact CB-CG2 4.34Å
346	L	98.9	Very high	98.3	Very high	0 Å²	0	3 Å²	3	0%	0	2%	0.016	C	C	.	.	H	α-helix	trans	-69	-35.5	-178	-64.5	177.7	0	0	0	112.1	C109 H113 A122 L123 Y138 L141 V174 L178 V342 N348 G349 T352	C109-L346 HydrophobicContact CB-CB 3.93Å; H113-L346 PolarHBondContact CD2-O 2.7Å; H113-L346 VanDerWaalsContact CD2-O 3.25Å; H113-L346 PolarHBondContact NE2-O 3.35Å; A122-L346 HydrophobicContact CB-CD2 4.02Å; L123-L346 HydrophobicContact CD2-CD2 4.27Å; Y138-L346 HydrophobicContact CE1-CD2 4.13Å; L141-L346 HydrophobicContact CD2-CD1 4.29Å; L141-L346 HydrophobicContact CD2-CD2 4.43Å; V174-L346 HydrophobicContact CG1-CD1 4.06Å; L178-L346 HydrophobicContact CD1-CD1 3.94Å; V342-L346 HydrophobicContact CG1-CD1 4.08Å; V342-L346 VanDerWaalsContact O-CB 3.27Å; V342-L346 WeakPolarHBondContact O-CB 3.44Å; V342-L346 WeakPolarHBondContact O-CG 3.44Å; V342-L346 PolarHBondContact O-N 3.38Å; V342-L346 VanDerWaalsContact O-N 3.17Å; L346-N348 PolarHBondContact O-N 3.41Å; L346-G349 PolarHBondContact O-N 3.03Å; L346-T352 HydrophobicContact CD2-CG2 4.35Å
347	A	98.6	Very high	98.3	Very high	0 Å²	0	2.2 Å²	2.2	0%	0	1%	0.012	C	C	.	.	H	α-helix	trans	-59.3	-37.1	171.4	0	0	0	0	0	111.3	R112 H113 L307 A311 Y343 P345 G349	R112-A347 PolarHBondContact NH2-O 3.33Å; H113-A347 PolarHBondContact CE1-O 3.5Å; H113-A347 PolarHBondContact NE2-O 2.98Å; H113-A347 VanDerWaalsContact NE2-O 3.13Å; L307-A347 HydrophobicContact CD1-CB 3.84Å; L307-A347 HydrophobicContact CG-CB 4.4Å; A311-A347 HydrophobicContact CB-CB 3.81Å; Y343-A347 WeakPolarHBondContact O-CB 3.5Å; Y343-A347 PolarHBondContact O-N 2.98Å; P345-A347 PolarHBondContact O-N 3.31Å; A347-G349 VanDerWaalsContact C-N 3.26Å; A347-G349 PolarHBondContact O-N 3.2Å
348	N	98.5	Very high	97.9	Very high	13 Å²	13	3.3 Å²	3.3	7%	0.07	2%	0.018	C	C	.	.	T	Hydrogen-bonded Turn	trans	-81.6	2.9	176.4	-74.3	-65	0	0	0	114.3	A311 H314 Y320 G344 P345 L346 G350	A311-N348 PolarHBondContact O-ND2 3.35Å; H314-N348 PolarHBondContact ND1-ND2 2.88Å; Y320-N348 HydrophobicContact CD1-CB 4.34Å; Y320-N348 HydrophobicContact CE1-CB 4.21Å; G344-N348 PolarHBondContact O-N 3.02Å; G344-N348 PolarHBondContact O-ND2 2.99Å; P345-N348 CarbonylContact O-C 3.54Å; P345-N348 PolarHBondContact O-N 2.85Å; P345-N348 VanDerWaalsContact O-N 3.09Å; L346-N348 PolarHBondContact O-N 3.41Å; N348-G350 VanDerWaalsContact C-N 3.25Å; N348-G350 PolarHBondContact O-N 3.09Å
349	G	98	Very high	97.5	Very high	0 Å²	0	3.9 Å²	3.9	0%	0	2%	0.022	C	C	.	.	T	Hydrogen-bonded Turn	trans	70.7	23.6	-179.4	0	0	0	0	0	113	H113 R120 Y138 P345 L346 A347	H113-G349 WeakPolarHBondContact CE1-CA 3.5Å; H113-G349 PolarHBondContact CE1-N 3.46Å; H113-G349 VanDerWaalsContact CE1-N 3.34Å; H113-G349 WeakPolarHBondContact NE2-CA 3.49Å; H113-G349 PolarHBondContact NE2-N 3.23Å; R120-G349 VanDerWaalsContact CD-O 3.25Å; R120-G349 WeakPolarHBondContact CD-O 3.41Å; R120-G349 PolarHBondContact NH1-O 3.14Å; Y138-G349 WeakPolarHBondContact OH-CA 3.38Å; P345-G349 PolarHBondContact O-N 3.2Å; L346-G349 PolarHBondContact O-N 3.03Å; A347-G349 VanDerWaalsContact C-N 3.26Å; A347-G349 PolarHBondContact O-N 3.2Å
350	G	97.7	Very high	97.2	Very high	0 Å²	0	5.9 Å²	5.9	0%	0	3%	0.034	C	C	.	.			trans	-88.7	171.7	-176	0	0	0	0	0	115.4	Y138 Y320 P345 N348	Y138-G350 PolarHBondContact OH-N 3.48Å; Y138-G350 VanDerWaalsContact OH-N 3.08Å; Y138-G350 PolarHBondContact OH-O 2.74Å; Y320-G350 WeakPolarHBondContact OH-CA 3.06Å; P345-G350 PolarHBondContact O-N 2.93Å; N348-G350 VanDerWaalsContact C-N 3.25Å; N348-G350 PolarHBondContact O-N 3.09Å
351	T	98.8	Very high	97	Very high	13 Å²	13	9.8 Å²	9.8	8%	0.08	5%	0.05	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.2	121.8	172.3	-52.5	0	0	0	0	108.5	V121 I124 V325 F326	V121-T351 HydrophobicContact CB-CG2 4.21Å; V121-T351 HydrophobicContact CG1-CG2 3.95Å; V121-T351 PolarHBondContact O-OG1 2.76Å; I124-T351 HydrophobicContact CD1-CG2 3.7Å; I124-T351 HydrophobicContact CG1-CG2 3.8Å; V325-T351 HydrophobicContact CG1-CG2 4.35Å; V325-T351 HydrophobicContact CG2-CG2 4.25Å; F326-T351 PolarHBondContact N-O 3.32Å
352	T	98.6	Very high	96.9	Very high	0 Å²	0	13.2 Å²	13.2	0%	0	7%	0.072	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.2	143.4	179.5	-170	0	0	0	0	112.6	A122 L123 I124 F326 T341 P345 L346	A122-T352 PolarHBondContact O-N 2.81Å; L123-T352 WeakPolarHBondContact CA-O 3.2Å; L123-T352 HydrophobicContact CD2-CG2 3.58Å; I124-T352 PolarHBondContact N-O 3.22Å; F326-T352 WeakPolarHBondContact O-CA 3.37Å; F326-T352 PolarHBondContact O-OG1 2.84Å; T341-T352 WeakPolarHBondContact O-CG2 3.4Å; T341-T352 PolarHBondContact O-OG1 3.48Å; P345-T352 HydrophobicContact CB-CG2 4.34Å; L346-T352 HydrophobicContact CD2-CG2 4.35Å
353	V	98.8	Very high	96.7	Very high	1 Å²	1	14.8 Å²	14.8	1%	0.006	8%	0.08	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.6	127.6	-178.7	-176.4	0	0	0	0	110.4	I124 E126 V325 F326 M370 L374 I376	I124-V353 HydrophobicContact CB-CG2 4.41Å; I124-V353 CarbonylContact O-C 3.24Å; I124-V353 WeakPolarHBondContact O-CA 3.33Å; E126-V353 HydrophobicContact CB-CG1 4.18Å; V325-V353 HydrophobicContact CG1-CG2 3.77Å; F326-V353 PolarHBondContact O-N 3.34Å; V353-M370 HydrophobicContact CG1-SD 3.83Å; V353-L374 HydrophobicContact CG1-CD1 4.13Å; V353-L374 HydrophobicContact CG2-CD1 4.27Å; V353-I376 HydrophobicContact CG2-CD1 4.19Å; V353-I376 HydrophobicContact CG2-CG1 4.36Å
354	L	98.6	Very high	96.6	Very high	0 Å²	0	15.3 Å²	15.3	0%	0	8%	0.084	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.6	103.6	169.3	-52.2	-174.3	0	0	0	108.4	L123 I124 E126 T169 P171 V174 T341	L123-L354 HydrophobicContact CB-CD1 4.38Å; L123-L354 HydrophobicContact CD1-CD1 4.08Å; L123-L354 HydrophobicContact CD2-CD1 4.32Å; L123-L354 HydrophobicContact CD2-CD2 4.31Å; L123-L354 HydrophobicContact CD2-CG 4.35Å; L123-L354 HydrophobicContact CG-CD1 4.5Å; I124-L354 PolarHBondContact O-N 2.95Å; E126-L354 PolarHBondContact N-O 3.08Å; T169-L354 HydrophobicContact CG2-CB 3.75Å; T169-L354 HydrophobicContact CG2-CD2 3.99Å; T169-L354 HydrophobicContact CG2-CG 4.36Å; P171-L354 HydrophobicContact CG-CD1 4.19Å; V174-L354 HydrophobicContact CG2-CD1 3.76Å; V174-L354 HydrophobicContact CG2-CD2 3.91Å; T341-L354 HydrophobicContact CG2-CD2 3.38Å
355	F	97.6	Very high	96.5	Very high	11 Å²	11	15.3 Å²	15.3	5%	0.048	8%	0.084	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.2	113.6	-179.3	-176.5	-106.8	0	0	0	111.3	E126 V329 S357 R366 Y367 M370	E126-F355 HydrophobicContact CB-CD2 4.27Å; E126-F355 HydrophobicContact CG-CD2 3.81Å; E126-F355 HydrophobicContact CG-CE2 4.17Å; V329-F355 HydrophobicContact CB-CB 4.23Å; V329-F355 HydrophobicContact CB-CD1 4.08Å; V329-F355 HydrophobicContact CB-CG 4.34Å; V329-F355 HydrophobicContact CG1-CB 4.04Å; V329-F355 HydrophobicContact CG1-CD1 4.23Å; V329-F355 HydrophobicContact CG1-CG 4.1Å; F355-S357 WeakPolarHBondContact CE1-O 3.15Å; F355-R366 HydrophobicContact CE2-CG 4.03Å; F355-R366 HydrophobicContact CZ-CG 3.96Å; F355-Y367 HydrophobicContact CD1-CE1 4.02Å; F355-Y367 HydrophobicContact CE1-CD1 4.23Å; F355-Y367 AromaticContact CE1-CE1 3.45Å; F355-Y367 HydrophobicContact CE1-CE1 3.45Å; F355-Y367 VanDerWaalsContact CE1-CE1 3.45Å; F355-Y367 HydrophobicContact CE2-CD1 4.34Å; F355-Y367 HydrophobicContact CE2-CE1 4.33Å; F355-Y367 AromaticContact CZ-CD1 3.92Å; F355-Y367 HydrophobicContact CZ-CD1 3.92Å; F355-Y367 AromaticContact CZ-CE1 3.59Å; F355-Y367 HydrophobicContact CZ-CE1 3.59Å; F355-M370 HydrophobicContact CD2-CE 4.34Å; F355-M370 HydrophobicContact CD2-SD 3.57Å; F355-M370 VanDerWaalsContact CD2-SD 3.57Å; F355-M370 HydrophobicContact CE2-SD 4.15Å; F355-M370 HydrophobicContact CG-SD 4.38Å
356	E	96.2	Very high	96.4	Very high	7 Å²	7	15.4 Å²	15.4	3%	0.033	8%	0.084	C	C	.	.			trans	-87.2	-22.6	-177.8	-172.3	179.8	-134.9	0	0	112.9	E126 R127 D128 V218 R219 R248	E126-E356 PolarHBondContact O-N 2.81Å; R127-E356 WeakPolarHBondContact CA-OE2 3.41Å; D128-E356 PolarHBondContact N-OE2 3.31Å; V218-E356 WeakPolarHBondContact O-CG 3.49Å; R219-E356 WeakPolarHBondContact CG-O 3.29Å; R248-E356 IonicContact CZ-OE1 2.56Å; R248-E356 IonicContact CZ-OE2 3.34Å; R248-E356 IonicContact NE-OE1 2.64Å; R248-E356 PolarHBondContact NE-OE1 3.01Å; R248-E356 IonicContact NE-OE2 3.63Å; R248-E356 PolarHBondContact NE-OE2 2.84Å; R248-E356 IonicContact NH2-OE1 3.37Å; R248-E356 IonicContact NH2-OE2 3.07Å; R248-E356 PolarHBondContact NH2-OE2 3.47Å
357	S	95.6	Very high	96.4	Very high	2 Å²	2	16.1 Å²	16.1	1%	0.014	9%	0.087	C	C	.	.	S	Bend	trans	-89.4	-156.2	-167	-157.7	0	0	0	0	114.5	D128 R219 F355 R366	D128-S357 PolarHBondContact O-OG 2.95Å; D128-S357 VanDerWaalsContact OD1-CA 3.31Å; D128-S357 WeakPolarHBondContact OD1-CA 3.41Å; D128-S357 WeakPolarHBondContact OD1-CB 3.12Å; D128-S357 PolarHBondContact OD1-OG 3.07Å; R219-S357 PolarHBondContact NE-O 3.05Å; F355-S357 WeakPolarHBondContact CE1-O 3.15Å; S357-R366 PolarHBondContact OG-NH1 3.45Å
358	T	90.6	Very high	96.4	Very high	22 Å²	22	16.2 Å²	16.2	14%	0.135	9%	0.087	C	C	.	.			trans	-122.2	158.1	173.1	73.3	0	0	0	0	109.9	R219 V360 Y361	R219-T358 HydrophobicContact CG-CG2 3.83Å; T358-V360 PolarHBondContact O-N 3.12Å; T358-Y361 PolarHBondContact O-N 3.37Å; T358-Y361 WeakPolarHBondContact OG1-CB 3.4Å; T358-Y361 PolarHBondContact OG1-N 2.99Å
359	P	90.2	Very high	96.4	Very high	13 Å²	13	16 Å²	16	8%	0.084	9%	0.086	C	C	.	.	T	Hydrogen-bonded Turn	trans	-57.4	-16.9	178.8	17.7	-31.6	0	0	0	115.4	Y367 A385 L388 L389	P359-Y367 HydrophobicContact CB-CD1 4.49Å; P359-Y367 HydrophobicContact CB-CD2 4.06Å; P359-Y367 HydrophobicContact CB-CE1 4.05Å; P359-Y367 HydrophobicContact CB-CE2 3.59Å; P359-Y367 HydrophobicContact CB-CG 4.5Å; P359-Y367 HydrophobicContact CG-CE2 4.45Å; P359-A385 HydrophobicContact CG-CB 4.36Å; P359-L388 HydrophobicContact CG-CD2 3.98Å; P359-L389 HydrophobicContact CB-CD1 4.36Å; P359-L389 HydrophobicContact CB-CD2 4.25Å; P359-L389 HydrophobicContact CB-CG 4.4Å
360	V	91.9	Very high	96.3	Very high	42 Å²	42	16 Å²	16	26%	0.255	9%	0.086	S	C	.	.	T	Hydrogen-bonded Turn	trans	-121.6	4.9	-168.4	-62	0	0	0	0	114	T358 P362 D363 L388 L389 Y392	T358-V360 PolarHBondContact O-N 3.12Å; V360-P362 CarbonylContact O-C 3.54Å; V360-D363 CarbonylContact C-O 3.5Å; V360-D363 VanDerWaalsContact C-O 3.24Å; V360-D363 WeakPolarHBondContact CA-O 2.98Å; V360-D363 CarbonylContact O-C 3.58Å; V360-D363 VanDerWaalsContact O-C 3.24Å; V360-D363 WeakPolarHBondContact O-CA 3.4Å; V360-D363 PolarHBondContact O-N 2.96Å; V360-D363 VanDerWaalsContact O-N 3.1Å; V360-L388 HydrophobicContact CG1-CD2 3.78Å; V360-L388 HydrophobicContact CG1-CG 4.16Å; V360-L389 HydrophobicContact CG1-CD2 4.35Å; V360-Y392 HydrophobicContact CG1-CD2 4.48Å; V360-Y392 HydrophobicContact CG1-CE2 3.8Å
361	Y	94.3	Very high	96.4	Very high	81 Å²	81	16 Å²	16	32%	0.318	9%	0.086	S	C	.	.	S	Bend	trans	-110.7	127.7	178.4	-177.7	-100.9	0	0	0	111.3	D128 T358 D363 R366	D128-Y361 WeakPolarHBondContact OD2-CE1 3.3Å; T358-Y361 PolarHBondContact O-N 3.37Å; T358-Y361 WeakPolarHBondContact OG1-CB 3.4Å; T358-Y361 PolarHBondContact OG1-N 2.99Å; Y361-D363 VanDerWaalsContact C-N 3.3Å; Y361-R366 WeakPolarHBondContact O-CB 3.29Å; Y361-R366 VanDerWaalsContact O-CD 3.28Å; Y361-R366 WeakPolarHBondContact O-CD 3.43Å; Y361-R366 WeakPolarHBondContact O-CG 3.46Å; Y361-R366 PolarHBondContact O-NH1 2.79Å
362	P	96.1	Very high	96.4	Very high	73 Å²	73	18.6 Å²	18.6	47%	0.474	10%	0.097	S	C	.	.	S	Bend	cis	-75.6	-13.9	-0.7	32.4	-36.5	0	0	0	113.7	V360	V360-P362 CarbonylContact O-C 3.54Å
363	D	96.5	Very high	96.4	Very high	32 Å²	32	21.8 Å²	21.8	17%	0.171	11%	0.109	C	C	.	.	S	Bend	trans	-147.8	167.6	178.4	68.4	60.9	0	0	0	112.2	V360 Y361 G365 R366 W396 K399	V360-D363 CarbonylContact C-O 3.5Å; V360-D363 VanDerWaalsContact C-O 3.24Å; V360-D363 WeakPolarHBondContact CA-O 2.98Å; V360-D363 CarbonylContact O-C 3.58Å; V360-D363 VanDerWaalsContact O-C 3.24Å; V360-D363 WeakPolarHBondContact O-CA 3.4Å; V360-D363 PolarHBondContact O-N 2.96Å; V360-D363 VanDerWaalsContact O-N 3.1Å; Y361-D363 VanDerWaalsContact C-N 3.3Å; D363-G365 PolarHBondContact O-N 2.96Å; D363-G365 WeakPolarHBondContact OD1-CA 3.49Å; D363-G365 PolarHBondContact OD1-N 2.76Å; D363-R366 PolarHBondContact O-N 3.14Å; D363-R366 VanDerWaalsContact O-N 3.14Å; D363-W396 HydrophobicContact CB-CE3 4.22Å; D363-W396 HydrophobicContact CB-CH2 3.89Å; D363-W396 HydrophobicContact CB-CZ3 3.5Å; D363-W396 VanDerWaalsContact OD1-CZ3 3.27Å; D363-W396 WeakPolarHBondContact OD1-CZ3 3.42Å; D363-K399 IonicContact OD1-NZ 3.41Å
364	P	95.2	Very high	96.4	Very high	11 Å²	11	22.1 Å²	22.1	7%	0.071	11%	0.111	C	C	.	.	T	Hydrogen-bonded Turn	trans	-63.5	-1.5	-179.9	-21.2	33.1	0	0	0	115.6	R366 L389 Y392 W396	P364-R366 VanDerWaalsContact C-N 3.35Å; P364-L389 HydrophobicContact CB-CD2 4.16Å; P364-L389 VanDerWaalsContact O-CD2 3.26Å; P364-L389 WeakPolarHBondContact O-CD2 3.48Å; P364-Y392 HydrophobicContact CB-CD1 4.09Å; P364-Y392 HydrophobicContact CB-CD2 3.86Å; P364-Y392 HydrophobicContact CB-CE2 4.45Å; P364-Y392 HydrophobicContact CB-CG 3.64Å; P364-Y392 HydrophobicContact CG-CD1 3.28Å; P364-Y392 HydrophobicContact CG-CD2 3.83Å; P364-Y392 HydrophobicContact CG-CE1 3.6Å; P364-Y392 HydrophobicContact CG-CE2 4.13Å; P364-Y392 HydrophobicContact CG-CG 3.39Å; P364-W396 HydrophobicContact CB-CB 4.21Å; P364-W396 HydrophobicContact CB-CD2 4.03Å; P364-W396 HydrophobicContact CB-CE3 4.5Å; P364-W396 HydrophobicContact CB-CG 3.86Å; P364-W396 HydrophobicContact CG-CD2 4.18Å; P364-W396 HydrophobicContact CG-CG 4.38Å
365	G	97.1	Very high	96.3	Very high	0 Å²	0	29.7 Å²	29.7	0%	0	14%	0.14	C	C	.	.	T	Hydrogen-bonded Turn	trans	-85.4	-2.1	172.8	0	0	0	0	0	114.3	D363 Y367 W368 D369 Y400	D363-G365 PolarHBondContact O-N 2.96Å; D363-G365 WeakPolarHBondContact OD1-CA 3.49Å; D363-G365 PolarHBondContact OD1-N 2.76Å; G365-Y367 PolarHBondContact O-N 2.91Å; G365-W368 PolarHBondContact O-N 2.73Å; G365-D369 PolarHBondContact O-N 2.87Å; G365-Y400 WeakPolarHBondContact O-CE2 3.5Å
366	R	97.8	Very high	96.4	Very high	2 Å²	2	29.1 Å²	29.1	1%	0.008	14%	0.137	C	C	.	.	H	α-helix	trans	-57.4	-44.1	-165.1	-178.1	57.6	-177.8	-89.7	7.3	114.6	E126 R127 D128 F355 S357 Y361 D363 P364 W368 M370	E126-R366 IonicContact OE1-CZ 2.97Å; E126-R366 IonicContact OE1-NE 3.47Å; E126-R366 PolarHBondContact OE1-NE 3.37Å; E126-R366 IonicContact OE1-NH2 2.62Å; E126-R366 PolarHBondContact OE1-NH2 3.1Å; R127-R366 PolarHBondContact O-NH2 3.37Å; D128-R366 PolarHBondContact O-NH1 3.48Å; D128-R366 PolarHBondContact O-NH2 3.02Å; F355-R366 HydrophobicContact CE2-CG 4.03Å; F355-R366 HydrophobicContact CZ-CG 3.96Å; S357-R366 PolarHBondContact OG-NH1 3.45Å; Y361-R366 WeakPolarHBondContact O-CB 3.29Å; Y361-R366 VanDerWaalsContact O-CD 3.28Å; Y361-R366 WeakPolarHBondContact O-CD 3.43Å; Y361-R366 WeakPolarHBondContact O-CG 3.46Å; Y361-R366 PolarHBondContact O-NH1 2.79Å; D363-R366 PolarHBondContact O-N 3.14Å; D363-R366 VanDerWaalsContact O-N 3.14Å; P364-R366 VanDerWaalsContact C-N 3.35Å; R366-W368 VanDerWaalsContact C-N 3.29Å; R366-W368 PolarHBondContact O-N 3.34Å; R366-M370 WeakPolarHBondContact O-CB 3.42Å; R366-M370 PolarHBondContact O-N 2.91Å
367	Y	98.1	Very high	96.5	Very high	15 Å²	15	30.2 Å²	30.2	6%	0.059	14%	0.143	C	C	.	.	H	α-helix	trans	-63.8	-37	177.4	-73.5	-16.1	0	0	0	112.6	V329 F355 P359 G365 M370 V371 F379 A385 L389	V329-Y367 HydrophobicContact CB-CE1 4.19Å; V329-Y367 HydrophobicContact CG1-CD1 4.38Å; V329-Y367 HydrophobicContact CG1-CE1 3.98Å; V329-Y367 HydrophobicContact CG2-CE1 4.25Å; V329-Y367 HydrophobicContact CG2-CE2 4.36Å; F355-Y367 HydrophobicContact CD1-CE1 4.02Å; F355-Y367 HydrophobicContact CE1-CD1 4.23Å; F355-Y367 AromaticContact CE1-CE1 3.45Å; F355-Y367 HydrophobicContact CE1-CE1 3.45Å; F355-Y367 VanDerWaalsContact CE1-CE1 3.45Å; F355-Y367 HydrophobicContact CE2-CD1 4.34Å; F355-Y367 HydrophobicContact CE2-CE1 4.33Å; F355-Y367 AromaticContact CZ-CD1 3.92Å; F355-Y367 HydrophobicContact CZ-CD1 3.92Å; F355-Y367 AromaticContact CZ-CE1 3.59Å; F355-Y367 HydrophobicContact CZ-CE1 3.59Å; P359-Y367 HydrophobicContact CB-CD1 4.49Å; P359-Y367 HydrophobicContact CB-CD2 4.06Å; P359-Y367 HydrophobicContact CB-CE1 4.05Å; P359-Y367 HydrophobicContact CB-CE2 3.59Å; P359-Y367 HydrophobicContact CB-CG 4.5Å; P359-Y367 HydrophobicContact CG-CE2 4.45Å; G365-Y367 PolarHBondContact O-N 2.91Å; Y367-M370 HydrophobicContact CD1-CE 4.46Å; Y367-M370 WeakPolarHBondContact O-CB 3.42Å; Y367-M370 PolarHBondContact O-N 2.92Å; Y367-V371 VanDerWaalsContact O-CG2 3.32Å; Y367-V371 WeakPolarHBondContact O-CG2 3.23Å; Y367-V371 PolarHBondContact O-N 2.96Å; Y367-F379 HydrophobicContact CD1-CE2 4.28Å; Y367-F379 HydrophobicContact CD1-CZ 4.19Å; Y367-F379 HydrophobicContact CD2-CE1 4.25Å; Y367-F379 HydrophobicContact CD2-CE2 4.15Å; Y367-F379 AromaticContact CD2-CZ 3.4Å; Y367-F379 HydrophobicContact CD2-CZ 3.4Å; Y367-F379 VanDerWaalsContact CD2-CZ 3.4Å; Y367-F379 HydrophobicContact CE1-CZ 4.46Å; Y367-F379 HydrophobicContact CE2-CE1 4.47Å; Y367-F379 AromaticContact CE2-CZ 3.72Å; Y367-F379 HydrophobicContact CE2-CZ 3.72Å; Y367-F379 AromaticContact CG-CE2 3.92Å; Y367-F379 HydrophobicContact CG-CE2 3.92Å; Y367-F379 AromaticContact CG-CZ 3.66Å; Y367-F379 HydrophobicContact CG-CZ 3.66Å; Y367-A385 HydrophobicContact CE2-CB 4.05Å; Y367-L389 HydrophobicContact CD2-CD1 3.7Å; Y367-L389 HydrophobicContact CE2-CD1 4.21Å
368	W	98.2	Very high	96.7	Very high	3 Å²	3	30.1 Å²	30.1	1%	0.011	14%	0.143	C	C	.	.	H	α-helix	trans	-82.4	-32.5	-172.3	-42.6	122.3	0	0	0	111.8	G365 R366 M370 V371 E372 L389 V397 Y400 W422 Y423 V427	G365-W368 PolarHBondContact O-N 2.73Å; R366-W368 VanDerWaalsContact C-N 3.29Å; R366-W368 PolarHBondContact O-N 3.34Å; W368-M370 VanDerWaalsContact C-N 3.33Å; W368-V371 HydrophobicContact CE3-CG2 4.31Å; W368-V371 PolarHBondContact O-N 2.93Å; W368-E372 PolarHBondContact O-N 2.79Å; W368-L389 HydrophobicContact CZ2-CD1 3.69Å; W368-V397 HydrophobicContact CD2-CG1 3.74Å; W368-V397 HydrophobicContact CE3-CG1 4.42Å; W368-V397 HydrophobicContact CG-CB 4.34Å; W368-V397 HydrophobicContact CG-CG1 3.79Å; W368-V397 HydrophobicContact CZ2-CG1 4.33Å; W368-Y400 HydrophobicContact CB-CD2 3.48Å; W368-Y400 VanDerWaalsContact CB-CD2 3.48Å; W368-Y400 HydrophobicContact CB-CE2 4.14Å; W368-Y400 HydrophobicContact CB-CG 4.02Å; W368-W422 HydrophobicContact CZ2-CH2 4.24Å; W368-W422 HydrophobicContact CZ2-CZ3 4.49Å; W368-Y423 HydrophobicContact CH2-CE2 4.23Å; W368-V427 HydrophobicContact CE3-CG1 3.92Å; W368-V427 HydrophobicContact CH2-CB 4.2Å; W368-V427 HydrophobicContact CH2-CG1 3.58Å; W368-V427 HydrophobicContact CH2-CG2 3.52Å; W368-V427 HydrophobicContact CZ2-CG1 4.43Å; W368-V427 HydrophobicContact CZ2-CG2 3.69Å; W368-V427 HydrophobicContact CZ3-CB 4.34Å; W368-V427 HydrophobicContact CZ3-CG1 3.29Å; W368-V427 HydrophobicContact CZ3-CG2 4.1Å
369	D	98	Very high	97.1	Very high	7 Å²	7	29.2 Å²	29.2	4%	0.037	14%	0.137	C	C	.	.	H	α-helix	trans	-56.3	-48.8	163.4	168.4	78.2	0	0	0	111.4	R130 G365 V371 E372 R373 Y400	R130-D369 WeakPolarHBondContact CG-OD2 3.29Å; R130-D369 IonicContact CZ-OD1 2.74Å; R130-D369 IonicContact NE-OD1 3.48Å; R130-D369 PolarHBondContact NE-OD1 3.49Å; R130-D369 IonicContact NE-OD2 3.66Å; R130-D369 PolarHBondContact NE-OD2 3.09Å; R130-D369 IonicContact NH2-OD1 3.51Å; R130-D369 PolarHBondContact NH2-OD1 3.36Å; G365-D369 PolarHBondContact O-N 2.87Å; D369-V371 VanDerWaalsContact C-N 3.31Å; D369-V371 PolarHBondContact O-N 3.21Å; D369-E372 PolarHBondContact O-N 2.7Å; D369-R373 VanDerWaalsContact O-CB 3.32Å; D369-R373 WeakPolarHBondContact O-CB 3.34Å; D369-R373 PolarHBondContact O-N 3.25Å; D369-R373 IonicContact OD2-CZ 3.22Å; D369-R373 IonicContact OD2-NE 3.96Å; D369-R373 PolarHBondContact OD2-NE 3.07Å; D369-R373 IonicContact OD2-NH2 3.53Å; D369-R373 PolarHBondContact OD2-NH2 2.78Å; D369-Y400 HydrophobicContact CB-CD1 4.22Å; D369-Y400 HydrophobicContact CB-CE1 3.65Å
370	M	97.6	Very high	97.5	Very high	0 Å²	0	28.6 Å²	28.6	0%	0	13%	0.133	C	C	.	.	H	α-helix	trans	-61.2	-42.2	179.1	-178.4	-171.4	61.9	0	0	111	E126 V329 V353 F355 R366 Y367 W368 L374 I376 F379	E126-M370 HydrophobicContact CB-SD 4.15Å; E126-M370 HydrophobicContact CG-CG 4.08Å; E126-M370 HydrophobicContact CG-SD 3.87Å; V329-M370 HydrophobicContact CG1-CE 3.81Å; V353-M370 HydrophobicContact CG1-SD 3.83Å; F355-M370 HydrophobicContact CD2-CE 4.34Å; F355-M370 HydrophobicContact CD2-SD 3.57Å; F355-M370 VanDerWaalsContact CD2-SD 3.57Å; F355-M370 HydrophobicContact CE2-SD 4.15Å; F355-M370 HydrophobicContact CG-SD 4.38Å; R366-M370 WeakPolarHBondContact O-CB 3.42Å; R366-M370 PolarHBondContact O-N 2.91Å; Y367-M370 HydrophobicContact CD1-CE 4.46Å; Y367-M370 WeakPolarHBondContact O-CB 3.42Å; Y367-M370 PolarHBondContact O-N 2.92Å; W368-M370 VanDerWaalsContact C-N 3.33Å; M370-L374 HydrophobicContact CG-CD1 3.51Å; M370-L374 HydrophobicContact CG-CG 4.14Å; M370-L374 WeakPolarHBondContact O-CB 3.2Å; M370-L374 WeakPolarHBondContact O-CG 3.32Å; M370-L374 PolarHBondContact O-N 3.19Å; M370-L374 HydrophobicContact SD-CD1 4.42Å; M370-I376 HydrophobicContact CE-CD1 3.68Å; M370-I376 HydrophobicContact CG-CD1 3.9Å; M370-I376 HydrophobicContact SD-CD1 4.19Å; M370-F379 HydrophobicContact CE-CD2 4.3Å; M370-F379 HydrophobicContact CE-CE2 3.82Å
371	V	98.7	Very high	97.4	Very high	0 Å²	0	26.8 Å²	26.8	0%	0	12%	0.123	C	C	.	.	H	α-helix	trans	-59	-50	175.3	166.5	0	0	0	0	111.6	Y367 W368 D369 R375 I376 F379 R402 L405	Y367-V371 VanDerWaalsContact O-CG2 3.32Å; Y367-V371 WeakPolarHBondContact O-CG2 3.23Å; Y367-V371 PolarHBondContact O-N 2.96Å; W368-V371 HydrophobicContact CE3-CG2 4.31Å; W368-V371 PolarHBondContact O-N 2.93Å; D369-V371 VanDerWaalsContact C-N 3.31Å; D369-V371 PolarHBondContact O-N 3.21Å; V371-R375 VanDerWaalsContact O-CA 3.29Å; V371-R375 WeakPolarHBondContact O-CA 3.49Å; V371-R375 PolarHBondContact O-N 3.4Å; V371-I376 HydrophobicContact CB-CB 4.49Å; V371-I376 HydrophobicContact CG2-CB 4.19Å; V371-I376 HydrophobicContact CG2-CD1 4.16Å; V371-I376 PolarHBondContact O-N 3.45Å; V371-I376 VanDerWaalsContact O-N 3.15Å; V371-F379 HydrophobicContact CG2-CD2 3.92Å; V371-R402 HydrophobicContact CG1-CB 4.35Å; V371-R402 HydrophobicContact CG1-CG 4.19Å; V371-L405 HydrophobicContact CG1-CD1 3.89Å; V371-L405 HydrophobicContact CG1-CD2 4.01Å; V371-L405 HydrophobicContact CG1-CG 3.72Å; V371-L405 HydrophobicContact CG2-CD2 4.3Å
372	E	98.6	Very high	96.8	Very high	68 Å²	68	24.3 Å²	24.3	32%	0.318	12%	0.119	S	C	.	.	H	α-helix	trans	-61.7	-53.7	-179.2	176.9	175.9	-108.9	0	0	111.6	W368 D369 R375 Y400 D401	W368-E372 PolarHBondContact O-N 2.79Å; D369-E372 PolarHBondContact O-N 2.7Å; E372-R375 PolarHBondContact O-N 3.45Å; E372-Y400 WeakPolarHBondContact OE2-CD1 3.4Å; E372-D401 WeakPolarHBondContact CA-O 3.25Å; E372-D401 VanDerWaalsContact CB-O 3.3Å; E372-D401 WeakPolarHBondContact CB-O 3.26Å; E372-D401 HydrophobicContact CG-CB 4.11Å; E372-D401 WeakPolarHBondContact OE1-CB 3.33Å; E372-D401 PolarHBondContact OE1-N 3.01Å
373	R	98.3	Very high	96	Very high	68 Å²	68	20.9 Å²	20.9	26%	0.257	10%	0.096	S	C	.	.	H	α-helix	trans	-69.3	-39.4	-173.1	-179.9	168.6	41.6	79.3	8.2	112.5	E126 E133 D369	E126-R373 VanDerWaalsContact CD-NH2 3.26Å; E126-R373 IonicContact OE1-CZ 2.82Å; E126-R373 IonicContact OE1-NH1 3.33Å; E126-R373 IonicContact OE1-NH2 2.66Å; E126-R373 PolarHBondContact OE1-NH2 3.29Å; E126-R373 IonicContact OE2-CZ 2.83Å; E126-R373 IonicContact OE2-NH1 2.82Å; E126-R373 PolarHBondContact OE2-NH1 3.08Å; E126-R373 IonicContact OE2-NH2 3.11Å; E126-R373 PolarHBondContact OE2-NH2 3.22Å; E133-R373 VanDerWaalsContact CD-NH1 3.34Å; E133-R373 IonicContact OE1-NH1 3.38Å; E133-R373 IonicContact OE2-CZ 3.95Å; E133-R373 IonicContact OE2-NH1 2.69Å; E133-R373 PolarHBondContact OE2-NH1 2.93Å; D369-R373 VanDerWaalsContact O-CB 3.32Å; D369-R373 WeakPolarHBondContact O-CB 3.34Å; D369-R373 PolarHBondContact O-N 3.25Å; D369-R373 IonicContact OD2-CZ 3.22Å; D369-R373 IonicContact OD2-NE 3.96Å; D369-R373 PolarHBondContact OD2-NE 3.07Å; D369-R373 IonicContact OD2-NH2 3.53Å; D369-R373 PolarHBondContact OD2-NH2 2.78Å
374	L	98.4	Very high	94.8	Very high	8 Å²	8	20.3 Å²	20.3	4%	0.042	9%	0.094	C	C	.	.	H	α-helix	trans	-92.5	-2	-179	-52.3	-175.6	0	0	0	113.3	I124 E126 E133 V353 M370 I376	I124-L374 HydrophobicContact CG2-CD1 3.82Å; I124-L374 HydrophobicContact CG2-CD2 4Å; E126-L374 HydrophobicContact CB-CD1 4.49Å; E133-L374 HydrophobicContact CG-CD2 3.88Å; V353-L374 HydrophobicContact CG1-CD1 4.13Å; V353-L374 HydrophobicContact CG2-CD1 4.27Å; M370-L374 HydrophobicContact CG-CD1 3.51Å; M370-L374 HydrophobicContact CG-CG 4.14Å; M370-L374 WeakPolarHBondContact O-CB 3.2Å; M370-L374 WeakPolarHBondContact O-CG 3.32Å; M370-L374 PolarHBondContact O-N 3.19Å; M370-L374 HydrophobicContact SD-CD1 4.42Å; L374-I376 VanDerWaalsContact C-N 3.31Å; L374-I376 HydrophobicContact CB-CG1 4.1Å; L374-I376 PolarHBondContact O-N 2.9Å
375	R	98.5	Very high	93.9	Very high	158 Å²	158	20.5 Å²	20.5	60%	0.596	10%	0.097	S	C	*	.	T	Hydrogen-bonded Turn	trans	53.7	45.5	-178.4	-61.3	-73.5	-177.7	142	-3.8	112.5	V371 E372 N377	V371-R375 VanDerWaalsContact O-CA 3.29Å; V371-R375 WeakPolarHBondContact O-CA 3.49Å; V371-R375 PolarHBondContact O-N 3.4Å; E372-R375 PolarHBondContact O-N 3.45Å; R375-N377 PolarHBondContact O-N 2.98Å; R375-N377 PolarHBondContact O-OD1 3.1Å
376	I	98.8	Very high	93.2	Very high	0 Å²	0	20.8 Å²	20.8	0%	0	10%	0.098	C	C	.	.			trans	-61.1	134	-177.8	-65.2	177.6	0	0	0	110.3	V325 V353 M370 V371 L374 Q378 F379 S404 L405	V325-I376 HydrophobicContact CG1-CG1 4.15Å; V353-I376 HydrophobicContact CG2-CD1 4.19Å; V353-I376 HydrophobicContact CG2-CG1 4.36Å; M370-I376 HydrophobicContact CE-CD1 3.68Å; M370-I376 HydrophobicContact CG-CD1 3.9Å; M370-I376 HydrophobicContact SD-CD1 4.19Å; V371-I376 HydrophobicContact CB-CB 4.49Å; V371-I376 HydrophobicContact CG2-CB 4.19Å; V371-I376 HydrophobicContact CG2-CD1 4.16Å; V371-I376 PolarHBondContact O-N 3.45Å; V371-I376 VanDerWaalsContact O-N 3.15Å; L374-I376 VanDerWaalsContact C-N 3.31Å; L374-I376 HydrophobicContact CB-CG1 4.1Å; L374-I376 PolarHBondContact O-N 2.9Å; I376-Q378 WeakPolarHBondContact CG2-O 3.3Å; I376-F379 HydrophobicContact CG2-CB 4.35Å; I376-S404 CarbonylContact O-C 3.57Å; I376-S404 WeakPolarHBondContact O-CB 3.37Å; I376-S404 PolarHBondContact O-OG 3.24Å; I376-L405 HydrophobicContact CB-CD2 4.45Å; I376-L405 HydrophobicContact CG2-CD2 4.03Å; I376-L405 WeakPolarHBondContact O-CD2 3.32Å; I376-L405 PolarHBondContact O-N 3.5Å
377	N	98.8	Very high	92.4	Very high	30 Å²	30	23.3 Å²	23.3	16%	0.16	11%	0.108	C	C	.	.	S	Bend	trans	-96.1	-42.1	179	-59.6	98.9	0	0	0	111.9	D324 V325 R375 S404 L405 T406 T407	D324-N377 VanDerWaalsContact CA-OD1 3.3Å; D324-N377 WeakPolarHBondContact CA-OD1 3.02Å; D324-N377 HydrophobicContact CB-CB 3.96Å; V325-N377 PolarHBondContact N-OD1 3.35Å; V325-N377 PolarHBondContact O-N 3.35Å; R375-N377 PolarHBondContact O-N 2.98Å; R375-N377 PolarHBondContact O-OD1 3.1Å; N377-S404 WeakPolarHBondContact CA-O 3.49Å; N377-S404 PolarHBondContact ND2-O 2.94Å; N377-L405 CarbonylContact O-C 3.55Å; N377-L405 WeakPolarHBondContact O-CA 3.2Å; N377-T406 PolarHBondContact O-N 3Å; N377-T406 PolarHBondContact O-OG1 3.15Å; N377-T407 PolarHBondContact O-N 3.36Å
378	Q	98.8	Very high	91.4	Very high	0 Å²	0	25.2 Å²	25.2	0%	0	12%	0.118	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.3	123.8	174.6	-56.3	84.2	20.2	0	0	109.8	F318 D324 F326 G327 I376 T406 T407	F318-Q378 HydrophobicContact CB-CG 4.19Å; D324-Q378 PolarHBondContact OD2-NE2 2.95Å; F326-Q378 HydrophobicContact CD2-CB 3.63Å; F326-Q378 HydrophobicContact CD2-CG 4.34Å; F326-Q378 HydrophobicContact CE2-CB 3.7Å; G327-Q378 WeakPolarHBondContact CA-O 3.2Å; G327-Q378 PolarHBondContact N-O 3.47Å; I376-Q378 WeakPolarHBondContact CG2-O 3.3Å; Q378-T406 PolarHBondContact NE2-OG1 2.94Å; Q378-T407 WeakPolarHBondContact CA-O 3.4Å
379	F	98.8	Very high	90.7	Very high	3 Å²	3	25.3 Å²	25.3	1%	0.013	12%	0.119	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.5	126.2	176.3	-177.1	-81.1	0	0	0	109.3	V329 Y367 M370 V371 I376 L405 T407 L408 G409 Y423	V329-F379 HydrophobicContact CG1-CE2 3.72Å; V329-F379 HydrophobicContact CG1-CZ 3.91Å; V329-F379 HydrophobicContact CG2-CE1 4.49Å; V329-F379 HydrophobicContact CG2-CZ 3.97Å; Y367-F379 HydrophobicContact CD1-CE2 4.28Å; Y367-F379 HydrophobicContact CD1-CZ 4.19Å; Y367-F379 HydrophobicContact CD2-CE1 4.25Å; Y367-F379 HydrophobicContact CD2-CE2 4.15Å; Y367-F379 AromaticContact CD2-CZ 3.4Å; Y367-F379 HydrophobicContact CD2-CZ 3.4Å; Y367-F379 VanDerWaalsContact CD2-CZ 3.4Å; Y367-F379 HydrophobicContact CE1-CZ 4.46Å; Y367-F379 HydrophobicContact CE2-CE1 4.47Å; Y367-F379 AromaticContact CE2-CZ 3.72Å; Y367-F379 HydrophobicContact CE2-CZ 3.72Å; Y367-F379 AromaticContact CG-CE2 3.92Å; Y367-F379 HydrophobicContact CG-CE2 3.92Å; Y367-F379 AromaticContact CG-CZ 3.66Å; Y367-F379 HydrophobicContact CG-CZ 3.66Å; M370-F379 HydrophobicContact CE-CD2 4.3Å; M370-F379 HydrophobicContact CE-CE2 3.82Å; V371-F379 HydrophobicContact CG2-CD2 3.92Å; I376-F379 HydrophobicContact CG2-CB 4.35Å; F379-L405 HydrophobicContact CB-CD2 3.85Å; F379-T407 PolarHBondContact N-O 3.3Å; F379-L408 HydrophobicContact CB-CD2 4.19Å; F379-G409 PolarHBondContact O-N 3.16Å; F379-Y423 WeakPolarHBondContact CD1-OH 3.28Å; F379-Y423 PolarHBondContact O-OH 3.07Å
380	Y	98.7	Very high	90	Very high	0 Å²	0	26.9 Å²	26.9	0%	0	13%	0.127	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.9	114.6	-175.4	-172.9	-146.3	0	0	0	111.2	F318 F326 G327 C328 V329 T336 Y340 V411 T437 W439	F318-Y380 HydrophobicContact CE1-CD1 4.15Å; F318-Y380 AromaticContact CE1-CD2 3.77Å; F318-Y380 HydrophobicContact CE1-CD2 3.77Å; F318-Y380 HydrophobicContact CE1-CE1 4.46Å; F318-Y380 HydrophobicContact CE1-CE2 4.04Å; F318-Y380 AromaticContact CE1-CG 3.79Å; F318-Y380 HydrophobicContact CE1-CG 3.79Å; F318-Y380 AromaticContact CZ-CD1 3.7Å; F318-Y380 HydrophobicContact CZ-CD1 3.7Å; F318-Y380 AromaticContact CZ-CD2 3.91Å; F318-Y380 HydrophobicContact CZ-CD2 3.91Å; F318-Y380 AromaticContact CZ-CE1 3.67Å; F318-Y380 HydrophobicContact CZ-CE1 3.67Å; F318-Y380 AromaticContact CZ-CE2 3.83Å; F318-Y380 HydrophobicContact CZ-CE2 3.83Å; F318-Y380 AromaticContact CZ-CG 3.82Å; F318-Y380 HydrophobicContact CZ-CG 3.82Å; F318-Y380 AromaticContact CZ-CZ 3.7Å; F326-Y380 HydrophobicContact CZ-CD1 4.26Å; G327-Y380 PolarHBondContact O-N 2.94Å; C328-Y380 WeakPolarHBondContact CA-O 3.48Å; C328-Y380 HydrophobicContact CB-CD1 4.18Å; C328-Y380 VanDerWaalsContact SG-CD1 3.56Å; V329-Y380 PolarHBondContact N-O 3.35Å; V329-Y380 VanDerWaalsContact N-O 3.08Å; T336-Y380 HydrophobicContact CG2-CD1 4.2Å; T336-Y380 HydrophobicContact CG2-CE1 3.65Å; Y340-Y380 AromaticContact CD2-CE1 3.83Å; Y340-Y380 HydrophobicContact CD2-CE1 3.83Å; Y340-Y380 AromaticContact CG-CE1 3.96Å; Y340-Y380 HydrophobicContact CG-CE1 3.96Å; Y380-V411 HydrophobicContact CD2-CB 4.41Å; Y380-V411 HydrophobicContact CD2-CG1 4.05Å; Y380-V411 HydrophobicContact CE1-CB 4.38Å; Y380-V411 HydrophobicContact CE1-CG1 4.07Å; Y380-V411 HydrophobicContact CE2-CB 3.44Å; Y380-V411 VanDerWaalsContact CE2-CB 3.44Å; Y380-V411 HydrophobicContact CE2-CG1 3.5Å; Y380-V411 HydrophobicContact CE2-CG2 4.37Å; Y380-V411 VanDerWaalsContact CZ-CB 3.42Å; Y380-V411 WeakPolarHBondContact OH-CB 3.41Å; Y380-V411 WeakPolarHBondContact OH-CG2 3.5Å; Y380-T437 HydrophobicContact CE2-CG2 4.38Å; Y380-T437 WeakPolarHBondContact CE2-OG1 3.38Å; Y380-T437 PolarHBondContact OH-OG1 2.85Å; Y380-W439 PolarHBondContact OH-NE1 3.35Å
381	G	89.8	Confident	89.2	Confident	4 Å²	4	32.5 Å²	32.5	4%	0.041	15%	0.148	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-148.2	175.6	-175.8	0	0	0	0	0	113.4	G409 S410 V411	G381-G409 PolarHBondContact N-O 3.47Å; G381-S410 WeakPolarHBondContact O-CA 3.44Å; G381-V411 PolarHBondContact O-N 3.12Å
382	A	82	Confident	88.6	Confident	29 Å²	29	37.4 Å²	37.4	24%	0.24	17%	0.168	C	C	.	.			trans	-89.2	146	-177.9	0	0	0	0	0	112.5	T384 A385 I386 V411	A382-T384 PolarHBondContact O-N 3.12Å; A382-T384 VanDerWaalsContact O-N 3.15Å; A382-A385 PolarHBondContact O-N 3.39Å; A382-I386 PolarHBondContact O-N 3.41Å; A382-V411 WeakPolarHBondContact CA-O 3.34Å
383	P	79	Confident	88	Confident	0 Å²	0	35.1 Å²	35.1	0%	0	16%	0.162	C	C	.	.	H	α-helix	trans	-52.1	-33.6	173.4	-30.8	37.9	0	0	0	114.5	A385 I386 R387 S410 V411 E413 I415	P383-A385 VanDerWaalsContact C-N 3.32Å; P383-A385 PolarHBondContact O-N 2.73Å; P383-I386 WeakPolarHBondContact O-CB 3.46Å; P383-I386 PolarHBondContact O-N 2.72Å; P383-I386 VanDerWaalsContact O-N 3.13Å; P383-R387 VanDerWaalsContact CB-NH1 3.29Å; P383-R387 WeakPolarHBondContact O-CG 3.31Å; P383-R387 PolarHBondContact O-N 3.06Å; P383-S410 VanDerWaalsContact CG-OG 3.25Å; P383-S410 WeakPolarHBondContact CG-OG 3.34Å; P383-V411 WeakPolarHBondContact CD-O 3.06Å; P383-E413 HydrophobicContact CB-CG 3.84Å; P383-E413 WeakPolarHBondContact CB-OE1 3.5Å; P383-E413 HydrophobicContact CG-CG 3.73Å; P383-I415 HydrophobicContact CB-CB 4.17Å; P383-I415 HydrophobicContact CB-CG1 4.23Å; P383-I415 HydrophobicContact CG-CB 3.79Å; P383-I415 HydrophobicContact CG-CG1 4.24Å
384	T	71.6	Confident	87.9	Confident	21 Å²	21	33.5 Å²	33.5	13%	0.129	16%	0.159	C	C	.	.	H	α-helix	trans	-60.3	-42	177	-67.9	0	0	0	0	112	A382 I386 R387 L388 E413 G637	A382-T384 PolarHBondContact O-N 3.12Å; A382-T384 VanDerWaalsContact O-N 3.15Å; T384-I386 VanDerWaalsContact C-N 3.33Å; T384-R387 PolarHBondContact OG1-NH2 3.41Å; T384-R387 VanDerWaalsContact OG1-NH2 3.09Å; T384-L388 WeakPolarHBondContact O-CB 3.2Å; T384-L388 PolarHBondContact O-N 3.48Å; T384-E413 WeakPolarHBondContact CA-OE1 3.44Å; T384-E413 WeakPolarHBondContact CB-OE1 3.19Å; T384-E413 PolarHBondContact N-OE1 3.43Å; T384-E413 PolarHBondContact OG1-OE1 3.4Å; T384-E413 PolarHBondContact OG1-OE2 2.86Å; T384-G637 PolarHBondContact OG1-O 3.02Å
385	A	76.1	Confident	87.9	Confident	14 Å²	14	38.4 Å²	38.4	12%	0.116	18%	0.182	C	C	.	.	H	α-helix	trans	-67.6	-37.9	176.6	0	0	0	0	0	111.1	P359 Y367 A382 P383 L388 L389	P359-A385 HydrophobicContact CG-CB 4.36Å; Y367-A385 HydrophobicContact CE2-CB 4.05Å; A382-A385 PolarHBondContact O-N 3.39Å; P383-A385 VanDerWaalsContact C-N 3.32Å; P383-A385 PolarHBondContact O-N 2.73Å; A385-L388 WeakPolarHBondContact O-CB 3.18Å; A385-L388 PolarHBondContact O-N 3.34Å; A385-L389 VanDerWaalsContact O-CG 3.3Å; A385-L389 WeakPolarHBondContact O-CG 3.38Å; A385-L389 PolarHBondContact O-N 3.22Å
386	I	83.6	Confident	87.8	Confident	7 Å²	7	34.3 Å²	34.3	4%	0.036	17%	0.166	C	C	.	.	H	α-helix	trans	-62.1	-51.1	176.2	-61	169	0	0	0	110.2	A382 P383 T384 L388 L389 I390 I415 A419 W422 Y423	A382-I386 PolarHBondContact O-N 3.41Å; P383-I386 WeakPolarHBondContact O-CB 3.46Å; P383-I386 PolarHBondContact O-N 2.72Å; P383-I386 VanDerWaalsContact O-N 3.13Å; T384-I386 VanDerWaalsContact C-N 3.33Å; I386-L388 VanDerWaalsContact C-N 3.3Å; I386-L388 PolarHBondContact O-N 2.88Å; I386-L389 PolarHBondContact O-N 2.77Å; I386-L389 VanDerWaalsContact O-N 3.09Å; I386-I390 HydrophobicContact CG2-CD1 4.28Å; I386-I390 WeakPolarHBondContact O-CG1 3.4Å; I386-I390 PolarHBondContact O-N 2.89Å; I386-I415 HydrophobicContact CD1-CD1 4.15Å; I386-A419 HydrophobicContact CG2-CB 4.15Å; I386-W422 HydrophobicContact CG2-CE3 3.85Å; I386-W422 HydrophobicContact CG2-CZ3 3.97Å; I386-Y423 HydrophobicContact CD1-CD1 3.56Å; I386-Y423 HydrophobicContact CD1-CD2 4.38Å; I386-Y423 HydrophobicContact CD1-CE1 3.47Å; I386-Y423 VanDerWaalsContact CD1-CE1 3.47Å; I386-Y423 HydrophobicContact CD1-CE2 4.33Å; I386-Y423 HydrophobicContact CD1-CG 4.02Å; I386-Y423 HydrophobicContact CG1-CE1 4.49Å; I386-Y423 HydrophobicContact CG2-CG 4.48Å
387	R	79.4	Confident	87.8	Confident	54 Å²	54	34.4 Å²	34.4	20%	0.204	17%	0.167	C	C	.	.	H	α-helix	trans	-59.7	-37.7	176.9	-71	-170.8	-61.4	-91.3	-2.8	112.7	P383 T384 E413 A419	P383-R387 VanDerWaalsContact CB-NH1 3.29Å; P383-R387 WeakPolarHBondContact O-CG 3.31Å; P383-R387 PolarHBondContact O-N 3.06Å; T384-R387 PolarHBondContact OG1-NH2 3.41Å; T384-R387 VanDerWaalsContact OG1-NH2 3.09Å; R387-E413 IonicContact CZ-OE1 3.4Å; R387-E413 IonicContact NH1-OE1 3.53Å; R387-E413 VanDerWaalsContact NH2-CD 3.26Å; R387-E413 IonicContact NH2-OE1 3.49Å; R387-E413 PolarHBondContact NH2-OE1 3.25Å; R387-E413 IonicContact NH2-OE2 2.76Å; R387-E413 PolarHBondContact NH2-OE2 2.93Å; R387-A419 HydrophobicContact CG-CB 4.03Å
388	L	76.9	Confident	87.7	Confident	55 Å²	55	38.4 Å²	38.4	29%	0.288	18%	0.183	S	C	.	.	H	α-helix	trans	-60.4	-46.9	173.8	175.1	62.8	0	0	0	111.2	P359 V360 T384 A385 I386 R391 Y392	P359-L388 HydrophobicContact CG-CD2 3.98Å; V360-L388 HydrophobicContact CG1-CD2 3.78Å; V360-L388 HydrophobicContact CG1-CG 4.16Å; T384-L388 WeakPolarHBondContact O-CB 3.2Å; T384-L388 PolarHBondContact O-N 3.48Å; A385-L388 WeakPolarHBondContact O-CB 3.18Å; A385-L388 PolarHBondContact O-N 3.34Å; I386-L388 VanDerWaalsContact C-N 3.3Å; I386-L388 PolarHBondContact O-N 2.88Å; L388-R391 WeakPolarHBondContact O-CB 3.11Å; L388-R391 PolarHBondContact O-N 3.35Å; L388-Y392 HydrophobicContact CD1-CE2 3.87Å; L388-Y392 HydrophobicContact CG-CE2 4.19Å; L388-Y392 WeakPolarHBondContact O-CD2 3.49Å
389	L	84	Confident	87.6	Confident	6 Å²	6	43.4 Å²	43.4	3%	0.031	21%	0.205	C	C	.	.	H	α-helix	trans	-68.5	-33.8	-177.2	-69.4	172.4	0	0	0	113	P359 V360 P364 Y367 W368 A385 I386 R391 Y392 W422	P359-L389 HydrophobicContact CB-CD1 4.36Å; P359-L389 HydrophobicContact CB-CD2 4.25Å; P359-L389 HydrophobicContact CB-CG 4.4Å; V360-L389 HydrophobicContact CG1-CD2 4.35Å; P364-L389 HydrophobicContact CB-CD2 4.16Å; P364-L389 VanDerWaalsContact O-CD2 3.26Å; P364-L389 WeakPolarHBondContact O-CD2 3.48Å; Y367-L389 HydrophobicContact CD2-CD1 3.7Å; Y367-L389 HydrophobicContact CE2-CD1 4.21Å; W368-L389 HydrophobicContact CZ2-CD1 3.69Å; A385-L389 VanDerWaalsContact O-CG 3.3Å; A385-L389 WeakPolarHBondContact O-CG 3.38Å; A385-L389 PolarHBondContact O-N 3.22Å; I386-L389 PolarHBondContact O-N 2.77Å; I386-L389 VanDerWaalsContact O-N 3.09Å; L389-R391 PolarHBondContact O-N 2.85Å; L389-Y392 PolarHBondContact O-N 2.64Å; L389-Y392 VanDerWaalsContact O-N 3.1Å; L389-W422 HydrophobicContact CB-CH2 4.08Å
390	I	84.1	Confident	87.6	Confident	39 Å²	39	44 Å²	44	20%	0.2	21%	0.207	C	C	.	.	H	α-helix	trans	-53.3	-40.1	173.1	-69.6	169.8	0	0	0	111.2	I386 Y392 G393 A419 W422	I386-I390 HydrophobicContact CG2-CD1 4.28Å; I386-I390 WeakPolarHBondContact O-CG1 3.4Å; I386-I390 PolarHBondContact O-N 2.89Å; I390-Y392 PolarHBondContact O-N 2.88Å; I390-G393 PolarHBondContact O-N 3.27Å; I390-G393 VanDerWaalsContact O-N 3.16Å; I390-A419 HydrophobicContact CD1-CB 3.87Å; I390-W422 HydrophobicContact CD1-CB 3.9Å; I390-W422 HydrophobicContact CD1-CD2 4.01Å; I390-W422 HydrophobicContact CD1-CE3 4.13Å; I390-W422 HydrophobicContact CD1-CG 3.92Å; I390-W422 HydrophobicContact CG1-CB 4.17Å; I390-W422 HydrophobicContact CG1-CD2 3.39Å; I390-W422 HydrophobicContact CG1-CE3 3.67Å; I390-W422 HydrophobicContact CG1-CG 3.61Å; I390-W422 HydrophobicContact CG1-CH2 4.48Å; I390-W422 HydrophobicContact CG1-CZ2 4.25Å; I390-W422 HydrophobicContact CG1-CZ3 4.22Å
391	R	81.5	Confident	87.6	Confident	118 Å²	118	47.3 Å²	47.3	45%	0.445	22%	0.224	S	C	.	.	T	Hydrogen-bonded Turn	trans	-65	-21.7	-177.9	-63.6	179.2	179.2	173	5	114.2	L388 L389 A571 E572	L388-R391 WeakPolarHBondContact O-CB 3.11Å; L388-R391 PolarHBondContact O-N 3.35Å; L389-R391 PolarHBondContact O-N 2.85Å; R391-A571 VanDerWaalsContact NH2-C 3.32Å; R391-A571 PolarHBondContact NH2-O 3.38Å; R391-E572 IonicContact CZ-OE2 2.72Å; R391-E572 IonicContact NH1-OE2 2.8Å; R391-E572 PolarHBondContact NH1-OE2 3.11Å; R391-E572 IonicContact NH2-OE2 2.86Å; R391-E572 PolarHBondContact NH2-OE2 2.87Å
392	Y	85.2	Confident	88	Confident	103 Å²	103	47.6 Å²	47.6	40%	0.404	22%	0.224	S	C	.	.	T	Hydrogen-bonded Turn	trans	-88.5	-14.7	179.3	-71.3	-81.6	0	0	0	113.2	V360 P364 L388 L389 I390 Q395	V360-Y392 HydrophobicContact CG1-CD2 4.48Å; V360-Y392 HydrophobicContact CG1-CE2 3.8Å; P364-Y392 HydrophobicContact CB-CD1 4.09Å; P364-Y392 HydrophobicContact CB-CD2 3.86Å; P364-Y392 HydrophobicContact CB-CE2 4.45Å; P364-Y392 HydrophobicContact CB-CG 3.64Å; P364-Y392 HydrophobicContact CG-CD1 3.28Å; P364-Y392 HydrophobicContact CG-CD2 3.83Å; P364-Y392 HydrophobicContact CG-CE1 3.6Å; P364-Y392 HydrophobicContact CG-CE2 4.13Å; P364-Y392 HydrophobicContact CG-CG 3.39Å; L388-Y392 HydrophobicContact CD1-CE2 3.87Å; L388-Y392 HydrophobicContact CG-CE2 4.19Å; L388-Y392 WeakPolarHBondContact O-CD2 3.49Å; L389-Y392 PolarHBondContact O-N 2.64Å; L389-Y392 VanDerWaalsContact O-N 3.1Å; I390-Y392 PolarHBondContact O-N 2.88Å; Y392-Q395 PolarHBondContact O-NE2 3.29Å
393	G	85.8	Confident	88.8	Confident	20 Å²	20	49.2 Å²	49.2	21%	0.206	23%	0.234	C	C	.	.			trans	92.1	153.7	178.7	0	0	0	0	0	114.5	I390 Q395 W396	I390-G393 PolarHBondContact O-N 3.27Å; I390-G393 VanDerWaalsContact O-N 3.16Å; G393-Q395 PolarHBondContact O-N 3.19Å; G393-Q395 VanDerWaalsContact O-N 3.11Å; G393-Q395 PolarHBondContact O-OE1 3.5Å; G393-W396 PolarHBondContact O-N 3.23Å
394	D	96.9	Very high	89.7	Confident	35 Å²	35	50.1 Å²	50.1	19%	0.187	24%	0.24	C	C	.	.	T	Hydrogen-bonded Turn	trans	-58.4	-25.7	-173.1	-67	4.4	0	0	0	114.5	W396 V397 K398 W422 V426	D394-W396 PolarHBondContact O-N 3.27Å; D394-V397 WeakPolarHBondContact O-CB 3.47Å; D394-V397 PolarHBondContact O-N 2.83Å; D394-K398 HydrophobicContact CB-CD 3.89Å; D394-K398 HydrophobicContact CB-CG 4.42Å; D394-K398 WeakPolarHBondContact O-CG 3.45Å; D394-K398 PolarHBondContact O-N 2.9Å; D394-K398 IonicContact OD2-NZ 2.83Å; D394-K398 PolarHBondContact OD2-NZ 2.99Å; D394-W422 PolarHBondContact OD1-NE1 2.91Å; D394-V426 HydrophobicContact CB-CG1 3.95Å
395	Q	97.3	Very high	91	Very high	111 Å²	111	49.3 Å²	49.3	52%	0.519	24%	0.235	S	C	.	.	H	α-helix	trans	-61.5	-28.5	-175.1	71.4	-74.8	-0.9	0	0	112.9	Y392 G393 V397 K399	Y392-Q395 PolarHBondContact O-NE2 3.29Å; G393-Q395 PolarHBondContact O-N 3.19Å; G393-Q395 VanDerWaalsContact O-N 3.11Å; G393-Q395 PolarHBondContact O-OE1 3.5Å; Q395-V397 VanDerWaalsContact C-N 3.26Å; Q395-V397 PolarHBondContact O-N 3.3Å; Q395-K399 WeakPolarHBondContact O-CG 3.32Å; Q395-K399 PolarHBondContact O-N 2.81Å
396	W	97.1	Very high	92	Very high	72 Å²	72	51.7 Å²	51.7	27%	0.273	25%	0.248	S	C	.	.	H	α-helix	trans	-70	-25.6	175.1	-71.3	102.5	0	0	0	113	D363 P364 G393 D394 Y400	D363-W396 HydrophobicContact CB-CE3 4.22Å; D363-W396 HydrophobicContact CB-CH2 3.89Å; D363-W396 HydrophobicContact CB-CZ3 3.5Å; D363-W396 VanDerWaalsContact OD1-CZ3 3.27Å; D363-W396 WeakPolarHBondContact OD1-CZ3 3.42Å; P364-W396 HydrophobicContact CB-CB 4.21Å; P364-W396 HydrophobicContact CB-CD2 4.03Å; P364-W396 HydrophobicContact CB-CE3 4.5Å; P364-W396 HydrophobicContact CB-CG 3.86Å; P364-W396 HydrophobicContact CG-CD2 4.18Å; P364-W396 HydrophobicContact CG-CG 4.38Å; G393-W396 PolarHBondContact O-N 3.23Å; D394-W396 PolarHBondContact O-N 3.27Å; W396-Y400 WeakPolarHBondContact O-CD2 3.4Å; W396-Y400 VanDerWaalsContact O-CE2 3.29Å; W396-Y400 WeakPolarHBondContact O-CE2 3.41Å
397	V	97.6	Very high	92.7	Very high	2 Å²	2	51.6 Å²	51.6	1%	0.012	25%	0.248	C	C	.	.	H	α-helix	trans	-88.2	-48.5	176.7	-160.6	0	0	0	0	110.6	W368 D394 Q395 K399 Y400 R402 W422 V426 V427	W368-V397 HydrophobicContact CD2-CG1 3.74Å; W368-V397 HydrophobicContact CE3-CG1 4.42Å; W368-V397 HydrophobicContact CG-CB 4.34Å; W368-V397 HydrophobicContact CG-CG1 3.79Å; W368-V397 HydrophobicContact CZ2-CG1 4.33Å; D394-V397 WeakPolarHBondContact O-CB 3.47Å; D394-V397 PolarHBondContact O-N 2.83Å; Q395-V397 VanDerWaalsContact C-N 3.26Å; Q395-V397 PolarHBondContact O-N 3.3Å; V397-K399 PolarHBondContact O-N 3.48Å; V397-Y400 PolarHBondContact O-N 3.41Å; V397-R402 PolarHBondContact O-NE 3.23Å; V397-R402 PolarHBondContact O-NH1 2.7Å; V397-W422 HydrophobicContact CG2-CH2 3.72Å; V397-W422 HydrophobicContact CG2-CZ2 3.57Å; V397-V426 HydrophobicContact CB-CG1 4.08Å; V397-V426 HydrophobicContact CG1-CG1 4.34Å; V397-V426 HydrophobicContact CG2-CG1 4.11Å; V397-V427 HydrophobicContact CG1-CB 4.47Å; V397-V427 HydrophobicContact CG1-CG2 3.86Å
398	K	97.6	Very high	93.7	Very high	113 Å²	113	49 Å²	49	49%	0.491	24%	0.238	S	C	.	.	H	α-helix	trans	-69.3	-13.5	-171	-72.2	175.3	174.1	159.1	0	114.5	D394 Y400	D394-K398 HydrophobicContact CB-CD 3.89Å; D394-K398 HydrophobicContact CB-CG 4.42Å; D394-K398 WeakPolarHBondContact O-CG 3.45Å; D394-K398 PolarHBondContact O-N 2.9Å; D394-K398 IonicContact OD2-NZ 2.83Å; D394-K398 PolarHBondContact OD2-NZ 2.99Å; K398-Y400 VanDerWaalsContact C-N 3.29Å
399	K	97.6	Very high	94.7	Very high	106 Å²	106	46.4 Å²	46.4	46%	0.461	22%	0.224	S	C	.	.	T	Hydrogen-bonded Turn	trans	-79.8	-6.1	177.3	71.1	-179.6	-173.3	174.3	0	114.3	D363 Q395 V397	D363-K399 IonicContact OD1-NZ 3.41Å; Q395-K399 WeakPolarHBondContact O-CG 3.32Å; Q395-K399 PolarHBondContact O-N 2.81Å; V397-K399 PolarHBondContact O-N 3.48Å
400	Y	98.3	Very high	95.1	Very high	15 Å²	15	46.1 Å²	46.1	6%	0.059	22%	0.223	C	C	.	.	S	Bend	trans	-116.8	145.7	-180	-59.7	-77.3	0	0	0	111.6	G365 W368 D369 E372 W396 V397 K398 R402	G365-Y400 WeakPolarHBondContact O-CE2 3.5Å; W368-Y400 HydrophobicContact CB-CD2 3.48Å; W368-Y400 VanDerWaalsContact CB-CD2 3.48Å; W368-Y400 HydrophobicContact CB-CE2 4.14Å; W368-Y400 HydrophobicContact CB-CG 4.02Å; D369-Y400 HydrophobicContact CB-CD1 4.22Å; D369-Y400 HydrophobicContact CB-CE1 3.65Å; E372-Y400 WeakPolarHBondContact OE2-CD1 3.4Å; W396-Y400 WeakPolarHBondContact O-CD2 3.4Å; W396-Y400 VanDerWaalsContact O-CE2 3.29Å; W396-Y400 WeakPolarHBondContact O-CE2 3.41Å; V397-Y400 PolarHBondContact O-N 3.41Å; K398-Y400 VanDerWaalsContact C-N 3.29Å; Y400-R402 PolarHBondContact O-N 3.18Å; Y400-R402 PolarHBondContact O-NE 3.47Å
401	D	98.4	Very high	95.4	Very high	69 Å²	69	44.7 Å²	44.7	37%	0.369	22%	0.216	S	C	.	.			trans	-71.5	123.1	170.9	-178.4	15.2	0	0	0	111.1	E372 S403	E372-D401 WeakPolarHBondContact CA-O 3.25Å; E372-D401 VanDerWaalsContact CB-O 3.3Å; E372-D401 WeakPolarHBondContact CB-O 3.26Å; E372-D401 HydrophobicContact CG-CB 4.11Å; E372-D401 WeakPolarHBondContact OE1-CB 3.33Å; E372-D401 PolarHBondContact OE1-N 3.01Å; D401-S403 VanDerWaalsContact CG-OG 3.28Å; D401-S403 WeakPolarHBondContact OD1-CB 3.41Å; D401-S403 PolarHBondContact OD1-N 3.18Å; D401-S403 PolarHBondContact OD1-OG 2.78Å; D401-S403 PolarHBondContact OD2-OG 3.44Å; D401-S403 VanDerWaalsContact OD2-OG 3.06Å
402	R	98.2	Very high	95.1	Very high	11 Å²	11	42.3 Å²	42.3	4%	0.042	23%	0.228	C	C	.	.			trans	-123.2	20.6	-179	-61.2	145.5	-59.2	156.1	18.5	111	V371 V397 Y400 S404 L405 V426 E429 R431	V371-R402 HydrophobicContact CG1-CB 4.35Å; V371-R402 HydrophobicContact CG1-CG 4.19Å; V397-R402 PolarHBondContact O-NE 3.23Å; V397-R402 PolarHBondContact O-NH1 2.7Å; Y400-R402 PolarHBondContact O-N 3.18Å; Y400-R402 PolarHBondContact O-NE 3.47Å; R402-S404 PolarHBondContact O-N 2.93Å; R402-L405 HydrophobicContact CB-CD1 4.06Å; R402-L405 PolarHBondContact O-N 3.31Å; R402-V426 PolarHBondContact NH1-O 2.94Å; R402-E429 IonicContact CZ-OE1 3.99Å; R402-E429 IonicContact NH2-OE1 2.77Å; R402-E429 PolarHBondContact NH2-OE1 3.48Å; R402-R431 PolarHBondContact O-NH2 3.25Å
403	S	98.3	Very high	94.5	Very high	63 Å²	63	39.2 Å²	39.2	44%	0.441	22%	0.218	S	C	.	.	T	Hydrogen-bonded Turn	trans	-66.4	-23.4	-178.2	61.4	0	0	0	0	113.3	D401 L405	D401-S403 VanDerWaalsContact CG-OG 3.28Å; D401-S403 WeakPolarHBondContact OD1-CB 3.41Å; D401-S403 PolarHBondContact OD1-N 3.18Å; D401-S403 PolarHBondContact OD1-OG 2.78Å; D401-S403 PolarHBondContact OD2-OG 3.44Å; D401-S403 VanDerWaalsContact OD2-OG 3.06Å; S403-L405 VanDerWaalsContact C-N 3.27Å; S403-L405 PolarHBondContact O-N 2.92Å
404	S	98.6	Very high	94.1	Very high	19 Å²	19	41.4 Å²	41.4	13%	0.133	23%	0.228	C	C	.	.	T	Hydrogen-bonded Turn	trans	-68.3	-24.2	176.1	60	0	0	0	0	113.6	I376 N377 R402 T406	I376-S404 CarbonylContact O-C 3.57Å; I376-S404 WeakPolarHBondContact O-CB 3.37Å; I376-S404 PolarHBondContact O-OG 3.24Å; N377-S404 WeakPolarHBondContact CA-O 3.49Å; N377-S404 PolarHBondContact ND2-O 2.94Å; R402-S404 PolarHBondContact O-N 2.93Å; S404-T406 PolarHBondContact O-N 3.16Å
405	L	98.8	Very high	93.2	Very high	3 Å²	3	40 Å²	40	2%	0.016	22%	0.22	C	C	.	.			trans	-66.7	134	-178.3	-67.5	173.8	0	0	0	111.3	V371 I376 N377 F379 R402 S403 L408 V427 R431 C432	V371-L405 HydrophobicContact CG1-CD1 3.89Å; V371-L405 HydrophobicContact CG1-CD2 4.01Å; V371-L405 HydrophobicContact CG1-CG 3.72Å; V371-L405 HydrophobicContact CG2-CD2 4.3Å; I376-L405 HydrophobicContact CB-CD2 4.45Å; I376-L405 HydrophobicContact CG2-CD2 4.03Å; I376-L405 WeakPolarHBondContact O-CD2 3.32Å; I376-L405 PolarHBondContact O-N 3.5Å; N377-L405 CarbonylContact O-C 3.55Å; N377-L405 WeakPolarHBondContact O-CA 3.2Å; F379-L405 HydrophobicContact CB-CD2 3.85Å; R402-L405 HydrophobicContact CB-CD1 4.06Å; R402-L405 PolarHBondContact O-N 3.31Å; S403-L405 VanDerWaalsContact C-N 3.27Å; S403-L405 PolarHBondContact O-N 2.92Å; L405-L408 HydrophobicContact CD1-CD2 3.96Å; L405-V427 HydrophobicContact CD1-CG1 4.06Å; L405-R431 PolarHBondContact O-NH1 3.01Å; L405-C432 VanDerWaalsContact C-SG 3.57Å; L405-C432 PolarHBondContact O-SG 3.04Å
406	T	97.9	Very high	92.2	Very high	65 Å²	65	35.7 Å²	35.7	40%	0.399	20%	0.201	S	C	.	.			trans	-122.3	-21.8	177.3	64.3	0	0	0	0	112.6	N377 Q378 S404 P433	N377-T406 PolarHBondContact O-N 3Å; N377-T406 PolarHBondContact O-OG1 3.15Å; Q378-T406 PolarHBondContact NE2-OG1 2.94Å; S404-T406 PolarHBondContact O-N 3.16Å; T406-P433 VanDerWaalsContact O-CD 3.29Å; T406-P433 WeakPolarHBondContact O-CD 3.17Å
407	T	98.3	Very high	91.4	Very high	4 Å²	4	35.5 Å²	35.5	3%	0.025	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-149.8	139.4	175.4	-68.3	0	0	0	0	110.8	F318 N377 Q378 F379 V435	F318-T407 HydrophobicContact CD1-CG2 4.41Å; F318-T407 PolarHBondContact O-OG1 3.26Å; N377-T407 PolarHBondContact O-N 3.36Å; Q378-T407 WeakPolarHBondContact CA-O 3.4Å; F379-T407 PolarHBondContact N-O 3.3Å; T407-V435 HydrophobicContact CG2-CG1 4.19Å; T407-V435 HydrophobicContact CG2-CG2 3.86Å
408	L	98.8	Very high	90.6	Very high	0 Å²	0	40 Å²	40	0%	0	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112	128.3	174.6	-68.4	177.3	0	0	0	108.8	F379 L405 Y423 V427 C432 P433 V434 V435	F379-L408 HydrophobicContact CB-CD2 4.19Å; L405-L408 HydrophobicContact CD1-CD2 3.96Å; L408-Y423 HydrophobicContact CB-CD1 4.22Å; L408-Y423 HydrophobicContact CB-CE1 3.73Å; L408-Y423 HydrophobicContact CB-CE2 4.2Å; L408-Y423 HydrophobicContact CD1-CD1 4.45Å; L408-Y423 HydrophobicContact CD1-CD2 3.81Å; L408-Y423 HydrophobicContact CD1-CE2 3.87Å; L408-Y423 HydrophobicContact CD1-CG 4.1Å; L408-Y423 VanDerWaalsContact CD1-O 3.31Å; L408-Y423 WeakPolarHBondContact CD1-O 3.21Å; L408-Y423 HydrophobicContact CD2-CD2 4.46Å; L408-Y423 HydrophobicContact CD2-CE2 3.69Å; L408-Y423 HydrophobicContact CG-CE2 4.13Å; L408-V427 HydrophobicContact CD1-CB 4.13Å; L408-V427 HydrophobicContact CD1-CG1 4.15Å; L408-V427 HydrophobicContact CD2-CG1 3.95Å; L408-C432 HydrophobicContact CD1-CB 4.01Å; L408-C432 HydrophobicContact CG-CB 3.84Å; L408-P433 PolarHBondContact N-O 3.42Å; L408-V434 HydrophobicContact CB-CG2 4.02Å; L408-V434 HydrophobicContact CD1-CG2 4.08Å; L408-V434 CarbonylContact O-C 3.48Å; L408-V434 VanDerWaalsContact O-CA 3.24Å; L408-V434 WeakPolarHBondContact O-CA 3.46Å; L408-V435 WeakPolarHBondContact O-CG2 3.3Å; L408-V435 PolarHBondContact O-N 2.76Å
409	G	98	Very high	89.8	Confident	0 Å²	0	34.6 Å²	34.6	0%	0	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.5	146.8	178.7	0	0	0	0	0	112.8	F379 G381 Y423 V435	F379-G409 PolarHBondContact O-N 3.16Å; G381-G409 PolarHBondContact N-O 3.47Å; G409-Y423 PolarHBondContact O-OH 2.8Å; G409-V435 WeakPolarHBondContact CA-O 3.22Å
410	S	92.1	Very high	89.6	Confident	0 Å²	0	30.5 Å²	30.5	0%	0	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.7	138.1	173.5	165.3	0	0	0	0	110.3	G381 P383 V435 D436 T437	G381-S410 WeakPolarHBondContact O-CA 3.44Å; P383-S410 VanDerWaalsContact CG-OG 3.25Å; P383-S410 WeakPolarHBondContact CG-OG 3.34Å; S410-V435 PolarHBondContact N-O 3.19Å; S410-D436 PolarHBondContact OG-OD1 3.42Å; S410-T437 PolarHBondContact O-N 3.24Å; S410-T437 PolarHBondContact O-OG1 2.97Å
411	V	90.6	Very high	89.4	Confident	9 Å²	9	34.7 Å²	34.7	6%	0.055	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-152.1	151.9	-178.3	59.4	0	0	0	0	114.7	T336 Y380 G381 A382 P383 W439	T336-V411 HydrophobicContact CG2-CG1 4.04Å; T336-V411 HydrophobicContact CG2-CG2 4.44Å; Y380-V411 HydrophobicContact CD2-CB 4.41Å; Y380-V411 HydrophobicContact CD2-CG1 4.05Å; Y380-V411 HydrophobicContact CE1-CB 4.38Å; Y380-V411 HydrophobicContact CE1-CG1 4.07Å; Y380-V411 HydrophobicContact CE2-CB 3.44Å; Y380-V411 VanDerWaalsContact CE2-CB 3.44Å; Y380-V411 HydrophobicContact CE2-CG1 3.5Å; Y380-V411 HydrophobicContact CE2-CG2 4.37Å; Y380-V411 VanDerWaalsContact CZ-CB 3.42Å; Y380-V411 WeakPolarHBondContact OH-CB 3.41Å; Y380-V411 WeakPolarHBondContact OH-CG2 3.5Å; G381-V411 PolarHBondContact O-N 3.12Å; A382-V411 WeakPolarHBondContact CA-O 3.34Å; P383-V411 WeakPolarHBondContact CD-O 3.06Å; V411-W439 HydrophobicContact CG2-CZ2 4.13Å
412	G	76.2	Confident	89.3	Confident	68 Å²	68	32.1 Å²	32.1	70%	0.701	19%	0.192	S	C	*	.	S	Bend	trans	100.3	-18.1	161	0	0	0	0	0	114.2
413	E	73.3	Confident	89.2	Confident	39 Å²	39	31.6 Å²	31.6	18%	0.182	19%	0.19	C	C	.	.	S	Bend	trans	-159.4	162.4	176.5	59	-176.3	176	0	0	109.6	P383 T384 R387 I415	P383-E413 HydrophobicContact CB-CG 3.84Å; P383-E413 WeakPolarHBondContact CB-OE1 3.5Å; P383-E413 HydrophobicContact CG-CG 3.73Å; T384-E413 WeakPolarHBondContact CA-OE1 3.44Å; T384-E413 WeakPolarHBondContact CB-OE1 3.19Å; T384-E413 PolarHBondContact N-OE1 3.43Å; T384-E413 PolarHBondContact OG1-OE1 3.4Å; T384-E413 PolarHBondContact OG1-OE2 2.86Å; R387-E413 IonicContact CZ-OE1 3.4Å; R387-E413 IonicContact NH1-OE1 3.53Å; R387-E413 VanDerWaalsContact NH2-CD 3.26Å; R387-E413 IonicContact NH2-OE1 3.49Å; R387-E413 PolarHBondContact NH2-OE1 3.25Å; R387-E413 IonicContact NH2-OE2 2.76Å; R387-E413 PolarHBondContact NH2-OE2 2.93Å; E413-I415 PolarHBondContact O-N 2.83Å
414	P	75.9	Confident	89.2	Confident	66 Å²	66	30.3 Å²	30.3	43%	0.429	18%	0.178	S	C	.	.	P	Polyproline II helix	trans	-55.7	134.6	171.5	-25.1	35.3	0	0	0	111.9
415	I	77.5	Confident	89.2	Confident	5 Å²	5	36.5 Å²	36.5	3%	0.026	20%	0.199	C	C	.	.	P	Polyproline II helix	trans	-96.2	121.1	169.4	-170.1	171.4	0	0	0	109	P383 I386 E413 A419 W420 D436 G462	P383-I415 HydrophobicContact CB-CB 4.17Å; P383-I415 HydrophobicContact CB-CG1 4.23Å; P383-I415 HydrophobicContact CG-CB 3.79Å; P383-I415 HydrophobicContact CG-CG1 4.24Å; I386-I415 HydrophobicContact CD1-CD1 4.15Å; E413-I415 PolarHBondContact O-N 2.83Å; I415-A419 HydrophobicContact CD1-CB 4.45Å; I415-A419 HydrophobicContact CG1-CB 4.03Å; I415-W420 HydrophobicContact CD1-CB 4.04Å; I415-W420 HydrophobicContact CG1-CB 4.18Å; I415-W420 HydrophobicContact CG2-CB 4.49Å; I415-D436 HydrophobicContact CG2-CB 4.12Å; I415-G462 WeakPolarHBondContact O-CA 3.22Å
416	N	76.6	Confident	89.1	Confident	21 Å²	21	36.4 Å²	36.4	11%	0.112	20%	0.198	C	C	.	.	P	Polyproline II helix	trans	-72.5	156	176.5	70.5	-32.9	0	0	0	110.9	E418 A419 W420	N416-E418 VanDerWaalsContact C-N 3.31Å; N416-E418 PolarHBondContact O-N 3.49Å; N416-A419 PolarHBondContact O-N 3.04Å; N416-A419 VanDerWaalsContact O-N 3.12Å; N416-A419 WeakPolarHBondContact OD1-CB 3.22Å; N416-A419 PolarHBondContact OD1-N 3.07Å; N416-W420 PolarHBondContact O-N 3.38Å
417	T	80.9	Confident	89.1	Confident	67 Å²	67	33.3 Å²	33.3	41%	0.411	18%	0.179	S	C	.	.	H	α-helix	trans	-54.4	-43.6	-176.1	-54.4	0	0	0	0	112.9	A419 W420 E421 P461	T417-A419 PolarHBondContact O-N 3.43Å; T417-W420 PolarHBondContact O-N 2.78Å; T417-E421 HydrophobicContact CG2-CG 4.14Å; T417-E421 WeakPolarHBondContact CG2-OE1 3.22Å; T417-E421 WeakPolarHBondContact O-CB 3.39Å; T417-E421 WeakPolarHBondContact O-CG 3.48Å; T417-E421 PolarHBondContact O-N 3.14Å; T417-P461 HydrophobicContact CG2-CB 4Å
418	E	80.8	Confident	89.1	Confident	97 Å²	97	33.1 Å²	33.1	45%	0.453	18%	0.178	S	C	.	.	H	α-helix	trans	-58.8	-46.7	178.6	-176.3	-171.8	-175.2	0	0	112	N416 E421 W422	N416-E418 VanDerWaalsContact C-N 3.31Å; N416-E418 PolarHBondContact O-N 3.49Å; E418-E421 PolarHBondContact O-N 3.45Å; E418-W422 WeakPolarHBondContact O-CB 3.33Å; E418-W422 PolarHBondContact O-N 3.45Å
419	A	81.6	Confident	89	Confident	0 Å²	0	37.6 Å²	37.6	0%	0	20%	0.199	C	C	.	.	H	α-helix	trans	-69.4	-37.3	179.3	0	0	0	0	0	111.8	I386 R387 I390 I415 N416 T417 Y423	I386-A419 HydrophobicContact CG2-CB 4.15Å; R387-A419 HydrophobicContact CG-CB 4.03Å; I390-A419 HydrophobicContact CD1-CB 3.87Å; I415-A419 HydrophobicContact CD1-CB 4.45Å; I415-A419 HydrophobicContact CG1-CB 4.03Å; N416-A419 PolarHBondContact O-N 3.04Å; N416-A419 VanDerWaalsContact O-N 3.12Å; N416-A419 WeakPolarHBondContact OD1-CB 3.22Å; N416-A419 PolarHBondContact OD1-N 3.07Å; T417-A419 PolarHBondContact O-N 3.43Å; A419-Y423 WeakPolarHBondContact O-CB 3.37Å; A419-Y423 PolarHBondContact O-N 2.93Å
420	W	93.2	Very high	88.9	Confident	20 Å²	20	39.9 Å²	39.9	8%	0.076	22%	0.223	C	C	.	.	H	α-helix	trans	-61.7	-49	175.2	-172.1	103.3	0	0	0	111.2	I415 N416 T417 Y423 N424 V434 I459 P461	I415-W420 HydrophobicContact CD1-CB 4.04Å; I415-W420 HydrophobicContact CG1-CB 4.18Å; I415-W420 HydrophobicContact CG2-CB 4.49Å; N416-W420 PolarHBondContact O-N 3.38Å; T417-W420 PolarHBondContact O-N 2.78Å; W420-Y423 WeakPolarHBondContact O-CB 3.3Å; W420-Y423 PolarHBondContact O-N 3.5Å; W420-N424 HydrophobicContact CE3-CB 4.27Å; W420-N424 HydrophobicContact CH2-CB 4.16Å; W420-N424 HydrophobicContact CZ3-CB 3.86Å; W420-N424 PolarHBondContact O-N 3.17Å; W420-V434 HydrophobicContact CD2-CB 4.37Å; W420-V434 HydrophobicContact CG-CG1 4.28Å; W420-V434 HydrophobicContact CZ2-CB 3.82Å; W420-V434 HydrophobicContact CZ2-CG2 4.43Å; W420-I459 HydrophobicContact CZ2-CB 4.47Å; W420-I459 HydrophobicContact CZ2-CG2 3.7Å; W420-P461 HydrophobicContact CD2-CB 3.74Å; W420-P461 HydrophobicContact CD2-CG 4.28Å; W420-P461 HydrophobicContact CE3-CB 3.54Å; W420-P461 HydrophobicContact CE3-CG 3.71Å; W420-P461 HydrophobicContact CG-CB 4.18Å; W420-P461 HydrophobicContact CH2-CG 4.22Å; W420-P461 HydrophobicContact CZ3-CB 4.07Å; W420-P461 HydrophobicContact CZ3-CG 3.7Å
421	E	94	Very high	89.1	Confident	103 Å²	103	45.2 Å²	45.2	48%	0.481	24%	0.243	S	C	.	.	H	α-helix	trans	-64.6	-41.8	179.9	-74.9	179.3	173.1	0	0	111.5	T417 E418 Y423 N424 R425	T417-E421 HydrophobicContact CG2-CG 4.14Å; T417-E421 WeakPolarHBondContact CG2-OE1 3.22Å; T417-E421 WeakPolarHBondContact O-CB 3.39Å; T417-E421 WeakPolarHBondContact O-CG 3.48Å; T417-E421 PolarHBondContact O-N 3.14Å; E418-E421 PolarHBondContact O-N 3.45Å; E421-Y423 VanDerWaalsContact C-N 3.31Å; E421-Y423 PolarHBondContact O-N 2.86Å; E421-N424 PolarHBondContact O-N 2.95Å; E421-R425 WeakPolarHBondContact O-CB 3.46Å; E421-R425 PolarHBondContact O-N 3.28Å
422	W	95.4	Very high	89.4	Confident	14 Å²	14	44.9 Å²	44.9	5%	0.053	24%	0.241	C	C	.	.	H	α-helix	trans	-60.2	-44	173	-178.7	92	0	0	0	111.3	W368 I386 L389 I390 D394 V397 E418 R425 V426 V427	W368-W422 HydrophobicContact CZ2-CH2 4.24Å; W368-W422 HydrophobicContact CZ2-CZ3 4.49Å; I386-W422 HydrophobicContact CG2-CE3 3.85Å; I386-W422 HydrophobicContact CG2-CZ3 3.97Å; L389-W422 HydrophobicContact CB-CH2 4.08Å; I390-W422 HydrophobicContact CD1-CB 3.9Å; I390-W422 HydrophobicContact CD1-CD2 4.01Å; I390-W422 HydrophobicContact CD1-CE3 4.13Å; I390-W422 HydrophobicContact CD1-CG 3.92Å; I390-W422 HydrophobicContact CG1-CB 4.17Å; I390-W422 HydrophobicContact CG1-CD2 3.39Å; I390-W422 HydrophobicContact CG1-CE3 3.67Å; I390-W422 HydrophobicContact CG1-CG 3.61Å; I390-W422 HydrophobicContact CG1-CH2 4.48Å; I390-W422 HydrophobicContact CG1-CZ2 4.25Å; I390-W422 HydrophobicContact CG1-CZ3 4.22Å; D394-W422 PolarHBondContact OD1-NE1 2.91Å; V397-W422 HydrophobicContact CG2-CH2 3.72Å; V397-W422 HydrophobicContact CG2-CZ2 3.57Å; E418-W422 WeakPolarHBondContact O-CB 3.33Å; E418-W422 PolarHBondContact O-N 3.45Å; W422-R425 PolarHBondContact O-N 2.92Å; W422-V426 HydrophobicContact CD2-CB 4.17Å; W422-V426 HydrophobicContact CD2-CG2 4.41Å; W422-V426 HydrophobicContact CG-CB 4.31Å; W422-V426 HydrophobicContact CG-CG2 4.05Å; W422-V426 HydrophobicContact CZ2-CB 4.42Å; W422-V426 HydrophobicContact CZ2-CG1 4.04Å; W422-V426 WeakPolarHBondContact O-CA 3.34Å; W422-V426 WeakPolarHBondContact O-CB 3.25Å; W422-V426 PolarHBondContact O-N 2.99Å; W422-V427 HydrophobicContact CE3-CG2 4.26Å; W422-V427 HydrophobicContact CH2-CG2 3.91Å; W422-V427 HydrophobicContact CZ3-CG2 3.64Å
423	Y	97.3	Very high	90.4	Very high	0 Å²	0	43.1 Å²	43.1	0%	0	22%	0.217	C	C	.	.	I	π-helix	trans	-64.9	-44.4	-178.8	-165.5	-155.2	0	0	0	111.6	W368 F379 I386 L408 G409 A419 W420 E421 V427 G428 V434	W368-Y423 HydrophobicContact CH2-CE2 4.23Å; F379-Y423 WeakPolarHBondContact CD1-OH 3.28Å; F379-Y423 PolarHBondContact O-OH 3.07Å; I386-Y423 HydrophobicContact CD1-CD1 3.56Å; I386-Y423 HydrophobicContact CD1-CD2 4.38Å; I386-Y423 HydrophobicContact CD1-CE1 3.47Å; I386-Y423 VanDerWaalsContact CD1-CE1 3.47Å; I386-Y423 HydrophobicContact CD1-CE2 4.33Å; I386-Y423 HydrophobicContact CD1-CG 4.02Å; I386-Y423 HydrophobicContact CG1-CE1 4.49Å; I386-Y423 HydrophobicContact CG2-CG 4.48Å; L408-Y423 HydrophobicContact CB-CD1 4.22Å; L408-Y423 HydrophobicContact CB-CE1 3.73Å; L408-Y423 HydrophobicContact CB-CE2 4.2Å; L408-Y423 HydrophobicContact CD1-CD1 4.45Å; L408-Y423 HydrophobicContact CD1-CD2 3.81Å; L408-Y423 HydrophobicContact CD1-CE2 3.87Å; L408-Y423 HydrophobicContact CD1-CG 4.1Å; L408-Y423 VanDerWaalsContact CD1-O 3.31Å; L408-Y423 WeakPolarHBondContact CD1-O 3.21Å; L408-Y423 HydrophobicContact CD2-CD2 4.46Å; L408-Y423 HydrophobicContact CD2-CE2 3.69Å; L408-Y423 HydrophobicContact CG-CE2 4.13Å; G409-Y423 PolarHBondContact O-OH 2.8Å; A419-Y423 WeakPolarHBondContact O-CB 3.37Å; A419-Y423 PolarHBondContact O-N 2.93Å; W420-Y423 WeakPolarHBondContact O-CB 3.3Å; W420-Y423 PolarHBondContact O-N 3.5Å; E421-Y423 VanDerWaalsContact C-N 3.31Å; E421-Y423 PolarHBondContact O-N 2.86Å; Y423-V427 HydrophobicContact CD2-CB 3.79Å; Y423-V427 HydrophobicContact CD2-CG1 4.22Å; Y423-V427 HydrophobicContact CD2-CG2 3.71Å; Y423-V427 HydrophobicContact CE2-CB 4.18Å; Y423-V427 HydrophobicContact CE2-CG1 4.09Å; Y423-V427 HydrophobicContact CE2-CG2 4.22Å; Y423-V427 VanDerWaalsContact O-CB 3.3Å; Y423-V427 WeakPolarHBondContact O-CB 3.33Å; Y423-V427 PolarHBondContact O-N 2.72Å; Y423-G428 PolarHBondContact O-N 2.8Å; Y423-V434 HydrophobicContact CD1-CG1 3.68Å; Y423-V434 HydrophobicContact CD1-CG2 4.07Å; Y423-V434 HydrophobicContact CE1-CG1 4.19Å; Y423-V434 HydrophobicContact CG-CG2 4.39Å
424	N	97.8	Very high	91.5	Very high	37 Å²	37	41.2 Å²	41.2	20%	0.198	21%	0.208	C	C	.	.	I	π-helix	trans	-64.3	-49	174.6	177.9	-99.9	0	0	0	112.4	W420 E421 G428 E429 G430 C432 V434	W420-N424 HydrophobicContact CE3-CB 4.27Å; W420-N424 HydrophobicContact CH2-CB 4.16Å; W420-N424 HydrophobicContact CZ3-CB 3.86Å; W420-N424 PolarHBondContact O-N 3.17Å; E421-N424 PolarHBondContact O-N 2.95Å; N424-G428 CarbonylContact O-C 3.6Å; N424-G428 VanDerWaalsContact O-C 3.22Å; N424-G428 VanDerWaalsContact O-CA 3.3Å; N424-G428 WeakPolarHBondContact O-CA 3.39Å; N424-G428 PolarHBondContact O-N 3.23Å; N424-E429 PolarHBondContact O-N 2.86Å; N424-G430 PolarHBondContact O-N 3.45Å; N424-C432 PolarHBondContact ND2-O 2.84Å; N424-V434 HydrophobicContact CB-CG2 3.74Å
425	R	97.9	Very high	92.6	Very high	148 Å²	148	38.1 Å²	38.1	56%	0.558	19%	0.188	S	C	*	.	I	π-helix	trans	-77.3	-43.9	-172.5	-176.8	179.8	62.7	91.6	5.5	113.3	E421 W422 E429	E421-R425 WeakPolarHBondContact O-CB 3.46Å; E421-R425 PolarHBondContact O-N 3.28Å; W422-R425 PolarHBondContact O-N 2.92Å; R425-E429 WeakPolarHBondContact O-CA 3.38Å
426	V	97.9	Very high	93.4	Very high	1 Å²	1	38.5 Å²	38.5	1%	0.006	19%	0.19	C	C	.	.	I	π-helix	trans	-90.6	-44.9	-171	179.7	0	0	0	0	111.2	D394 V397 R402 W422	D394-V426 HydrophobicContact CB-CG1 3.95Å; V397-V426 HydrophobicContact CB-CG1 4.08Å; V397-V426 HydrophobicContact CG1-CG1 4.34Å; V397-V426 HydrophobicContact CG2-CG1 4.11Å; R402-V426 PolarHBondContact NH1-O 2.94Å; W422-V426 HydrophobicContact CD2-CB 4.17Å; W422-V426 HydrophobicContact CD2-CG2 4.41Å; W422-V426 HydrophobicContact CG-CB 4.31Å; W422-V426 HydrophobicContact CG-CG2 4.05Å; W422-V426 HydrophobicContact CZ2-CB 4.42Å; W422-V426 HydrophobicContact CZ2-CG1 4.04Å; W422-V426 WeakPolarHBondContact O-CA 3.34Å; W422-V426 WeakPolarHBondContact O-CB 3.25Å; W422-V426 PolarHBondContact O-N 2.99Å
427	V	98.1	Very high	94.5	Very high	0 Å²	0	37.6 Å²	37.6	0%	0	19%	0.186	C	C	.	.	I	π-helix	trans	-85.1	-50.8	180	-176.2	0	0	0	0	110.6	W368 V397 L405 L408 W422 Y423	W368-V427 HydrophobicContact CE3-CG1 3.92Å; W368-V427 HydrophobicContact CH2-CB 4.2Å; W368-V427 HydrophobicContact CH2-CG1 3.58Å; W368-V427 HydrophobicContact CH2-CG2 3.52Å; W368-V427 HydrophobicContact CZ2-CG1 4.43Å; W368-V427 HydrophobicContact CZ2-CG2 3.69Å; W368-V427 HydrophobicContact CZ3-CB 4.34Å; W368-V427 HydrophobicContact CZ3-CG1 3.29Å; W368-V427 HydrophobicContact CZ3-CG2 4.1Å; V397-V427 HydrophobicContact CG1-CB 4.47Å; V397-V427 HydrophobicContact CG1-CG2 3.86Å; L405-V427 HydrophobicContact CD1-CG1 4.06Å; L408-V427 HydrophobicContact CD1-CB 4.13Å; L408-V427 HydrophobicContact CD1-CG1 4.15Å; L408-V427 HydrophobicContact CD2-CG1 3.95Å; W422-V427 HydrophobicContact CE3-CG2 4.26Å; W422-V427 HydrophobicContact CH2-CG2 3.91Å; W422-V427 HydrophobicContact CZ3-CG2 3.64Å; Y423-V427 HydrophobicContact CD2-CB 3.79Å; Y423-V427 HydrophobicContact CD2-CG1 4.22Å; Y423-V427 HydrophobicContact CD2-CG2 3.71Å; Y423-V427 HydrophobicContact CE2-CB 4.18Å; Y423-V427 HydrophobicContact CE2-CG1 4.09Å; Y423-V427 HydrophobicContact CE2-CG2 4.22Å; Y423-V427 VanDerWaalsContact O-CB 3.3Å; Y423-V427 WeakPolarHBondContact O-CB 3.33Å; Y423-V427 PolarHBondContact O-N 2.72Å
428	G	97.6	Very high	95.3	Very high	0 Å²	0	35.5 Å²	35.5	0%	0	17%	0.17	C	C	.	.	S	Bend	trans	-84.3	-9.5	-176.1	0	0	0	0	0	115.4	Y423 N424 G430 R431 C432	Y423-G428 PolarHBondContact O-N 2.8Å; N424-G428 CarbonylContact O-C 3.6Å; N424-G428 VanDerWaalsContact O-C 3.22Å; N424-G428 VanDerWaalsContact O-CA 3.3Å; N424-G428 WeakPolarHBondContact O-CA 3.39Å; N424-G428 PolarHBondContact O-N 3.23Å; G428-G430 PolarHBondContact O-N 2.9Å; G428-G430 VanDerWaalsContact O-N 3.13Å; G428-R431 WeakPolarHBondContact O-CB 3.23Å; G428-R431 PolarHBondContact O-N 3.44Å; G428-C432 PolarHBondContact O-N 3.1Å
429	E	97.1	Very high	96.1	Very high	94 Å²	94	31.9 Å²	31.9	44%	0.439	15%	0.152	S	C	.	.	T	Hydrogen-bonded Turn	trans	53.3	28.9	-176.6	-60.3	170.2	163.4	0	0	113.6	R402 N424 R425 R431	R402-E429 IonicContact CZ-OE1 3.99Å; R402-E429 IonicContact NH2-OE1 2.77Å; R402-E429 PolarHBondContact NH2-OE1 3.48Å; N424-E429 PolarHBondContact O-N 2.86Å; R425-E429 WeakPolarHBondContact O-CA 3.38Å; E429-R431 HydrophobicContact CB-CG 4.48Å; E429-R431 PolarHBondContact O-N 3.27Å; E429-R431 VanDerWaalsContact O-N 3.11Å; E429-R431 IonicContact OE2-CZ 3.69Å; E429-R431 IonicContact OE2-NE 3.4Å; E429-R431 PolarHBondContact OE2-NE 3.2Å; E429-R431 IonicContact OE2-NH2 3.68Å; E429-R431 PolarHBondContact OE2-NH2 3.04Å
430	G	95.4	Very high	96.8	Very high	49 Å²	49	32.8 Å²	32.8	51%	0.505	16%	0.157	S	C	.	.	T	Hydrogen-bonded Turn	trans	69.9	-4.8	-172.6	0	0	0	0	0	114.7	N424 G428	N424-G430 PolarHBondContact O-N 3.45Å; G428-G430 PolarHBondContact O-N 2.9Å; G428-G430 VanDerWaalsContact O-N 3.13Å
431	R	95.9	Very high	96.7	Very high	112 Å²	112	33 Å²	33	42%	0.423	16%	0.16	S	C	.	.	T	Hydrogen-bonded Turn	trans	-81.4	-35.5	178.2	-57.5	-179.5	-70.4	95.3	-0.4	112.1	R402 L405 G428 E429	R402-R431 PolarHBondContact O-NH2 3.25Å; L405-R431 PolarHBondContact O-NH1 3.01Å; G428-R431 WeakPolarHBondContact O-CB 3.23Å; G428-R431 PolarHBondContact O-N 3.44Å; E429-R431 HydrophobicContact CB-CG 4.48Å; E429-R431 PolarHBondContact O-N 3.27Å; E429-R431 VanDerWaalsContact O-N 3.11Å; E429-R431 IonicContact OE2-CZ 3.69Å; E429-R431 IonicContact OE2-NE 3.4Å; E429-R431 PolarHBondContact OE2-NE 3.2Å; E429-R431 IonicContact OE2-NH2 3.68Å; E429-R431 PolarHBondContact OE2-NH2 3.04Å
432	C	97.3	Very high	96.9	Very high	1 Å²	1	29 Å²	29	1%	0.007	14%	0.141	C	C	.	.	S	Bend	trans	-92.8	124.3	-175.6	-56.6	0	0	0	0	110.9	L405 L408 N424 G428	L405-C432 VanDerWaalsContact C-SG 3.57Å; L405-C432 PolarHBondContact O-SG 3.04Å; L408-C432 HydrophobicContact CD1-CB 4.01Å; L408-C432 HydrophobicContact CG-CB 3.84Å; N424-C432 PolarHBondContact ND2-O 2.84Å; G428-C432 PolarHBondContact O-N 3.1Å
433	P	96.4	Very high	97	Very high	31 Å²	31	28.3 Å²	28.3	20%	0.201	14%	0.139	C	C	.	.			trans	-63.8	140	165.6	24.9	-27.9	0	0	0	109.9	T406 L408 K451 I459	T406-P433 VanDerWaalsContact O-CD 3.29Å; T406-P433 WeakPolarHBondContact O-CD 3.17Å; L408-P433 PolarHBondContact N-O 3.42Å; P433-K451 VanDerWaalsContact CG-CE 3.44Å; P433-I459 HydrophobicContact CB-CD1 3.55Å
434	V	97.7	Very high	97.1	Very high	0 Å²	0	28.3 Å²	28.3	0%	0	14%	0.139	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.5	110.5	172.7	179.4	0	0	0	0	108.3	L408 W420 Y423 N424	L408-V434 HydrophobicContact CB-CG2 4.02Å; L408-V434 HydrophobicContact CD1-CG2 4.08Å; L408-V434 CarbonylContact O-C 3.48Å; L408-V434 VanDerWaalsContact O-CA 3.24Å; L408-V434 WeakPolarHBondContact O-CA 3.46Å; W420-V434 HydrophobicContact CD2-CB 4.37Å; W420-V434 HydrophobicContact CG-CG1 4.28Å; W420-V434 HydrophobicContact CZ2-CB 3.82Å; W420-V434 HydrophobicContact CZ2-CG2 4.43Å; Y423-V434 HydrophobicContact CD1-CG1 3.68Å; Y423-V434 HydrophobicContact CD1-CG2 4.07Å; Y423-V434 HydrophobicContact CE1-CG1 4.19Å; Y423-V434 HydrophobicContact CG-CG2 4.39Å; N424-V434 HydrophobicContact CB-CG2 3.74Å
435	V	97.4	Very high	97.1	Very high	0 Å²	0	26.6 Å²	26.6	0%	0	13%	0.13	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.3	106.7	178.2	-62.1	0	0	0	0	109.7	V317 F318 T407 L408 G409 S410 T437 K451	V317-V435 HydrophobicContact CG1-CB 4.43Å; V317-V435 HydrophobicContact CG1-CG2 4.27Å; F318-V435 HydrophobicContact CD1-CG2 4.29Å; F318-V435 HydrophobicContact CE1-CG2 4.22Å; T407-V435 HydrophobicContact CG2-CG1 4.19Å; T407-V435 HydrophobicContact CG2-CG2 3.86Å; L408-V435 WeakPolarHBondContact O-CG2 3.3Å; L408-V435 PolarHBondContact O-N 2.76Å; G409-V435 WeakPolarHBondContact CA-O 3.22Å; S410-V435 PolarHBondContact N-O 3.19Å; V435-T437 HydrophobicContact CB-CG2 4.43Å; V435-T437 HydrophobicContact CG2-CG2 4.2Å; V435-K451 HydrophobicContact CG1-CB 3.89Å; V435-K451 HydrophobicContact CG1-CD 3.78Å; V435-K451 HydrophobicContact CG1-CG 3.79Å
436	D	96	Very high	97.2	Very high	13 Å²	13	19.5 Å²	19.5	7%	0.07	10%	0.103	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-80.3	118.6	169.6	-172.3	33.2	0	0	0	109.7	S410 I415 A449 P450	S410-D436 PolarHBondContact OG-OD1 3.42Å; I415-D436 HydrophobicContact CG2-CB 4.12Å; D436-A449 WeakPolarHBondContact O-CA 3.5Å; D436-P450 WeakPolarHBondContact O-CD 3.37Å
437	T	98.2	Very high	97.2	Very high	3 Å²	3	19.5 Å²	19.5	2%	0.018	10%	0.103	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.5	109.3	-169.4	62	0	0	0	0	110.7	V317 Y380 S410 V435 I446 A449	V317-T437 HydrophobicContact CG1-CG2 3.94Å; Y380-T437 HydrophobicContact CE2-CG2 4.38Å; Y380-T437 WeakPolarHBondContact CE2-OG1 3.38Å; Y380-T437 PolarHBondContact OH-OG1 2.85Å; S410-T437 PolarHBondContact O-N 3.24Å; S410-T437 PolarHBondContact O-OG1 2.97Å; V435-T437 HydrophobicContact CB-CG2 4.43Å; V435-T437 HydrophobicContact CG2-CG2 4.2Å; T437-I446 HydrophobicContact CG2-CD1 3.87Å; T437-I446 HydrophobicContact CG2-CG1 4.26Å; T437-I446 HydrophobicContact CG2-CG2 4.27Å; T437-A449 HydrophobicContact CG2-CB 4.08Å
438	W	98	Very high	97.2	Very high	22 Å²	22	19.5 Å²	19.5	8%	0.083	10%	0.103	C	C	.	.	B	Isolated β-bridge	trans	-96	130.8	173.7	177.6	86.7	0	0	0	111.5	Q440 C447 I448 A464 L492 M494 T526 D528 I540	W438-Q440 HydrophobicContact CZ2-CG 4.14Å; W438-C447 HydrophobicContact CE3-CB 3.86Å; W438-C447 HydrophobicContact CZ3-CB 3.58Å; W438-C447 PolarHBondContact O-N 3.15Å; W438-I448 HydrophobicContact CB-CB 4.45Å; W438-I448 HydrophobicContact CE3-CB 4.09Å; W438-I448 HydrophobicContact CE3-CD1 3.73Å; W438-I448 HydrophobicContact CE3-CG1 3.75Å; W438-I448 HydrophobicContact CZ3-CD1 4.03Å; W438-I448 HydrophobicContact CZ3-CG1 4.16Å; W438-I448 PolarHBondContact N-O 3.41Å; W438-I448 PolarHBondContact O-N 2.8Å; W438-I448 VanDerWaalsContact O-N 3.1Å; W438-A464 HydrophobicContact CB-CB 3.94Å; W438-L492 HydrophobicContact CD2-CD2 4.33Å; W438-L492 HydrophobicContact CE3-CD2 4.32Å; W438-L492 HydrophobicContact CH2-CD2 3.58Å; W438-L492 HydrophobicContact CH2-CG 4.44Å; W438-L492 HydrophobicContact CZ2-CD2 3.52Å; W438-L492 HydrophobicContact CZ3-CD2 3.99Å; W438-M494 HydrophobicContact CH2-CE 3.6Å; W438-M494 HydrophobicContact CZ3-CE 3.3Å; W438-T526 HydrophobicContact CH2-CG2 3.61Å; W438-T526 HydrophobicContact CZ2-CG2 3.99Å; W438-D528 HydrophobicContact CZ2-CB 4.39Å; W438-D528 WeakPolarHBondContact CZ2-OD2 3.37Å; W438-D528 PolarHBondContact NE1-OD2 3.36Å; W438-I540 HydrophobicContact CB-CD1 4.24Å; W438-I540 HydrophobicContact CB-CG1 3.82Å; W438-I540 VanDerWaalsContact CD1-CG1 3.44Å; W438-I540 HydrophobicContact CD2-CD1 3.78Å; W438-I540 HydrophobicContact CD2-CG1 4.21Å; W438-I540 HydrophobicContact CE3-CD1 4.49Å; W438-I540 HydrophobicContact CG-CD1 3.64Å; W438-I540 HydrophobicContact CG-CG1 3.51Å
439	W	97.9	Very high	97.3	Very high	21 Å²	21	19.5 Å²	19.5	8%	0.08	10%	0.103	C	C	.	.			trans	-177.3	177.1	178.2	59.4	-63.6	0	0	0	110.4	I335 T336 Y340 Y380 V411 T443 G444 G445 I446	I335-W439 HydrophobicContact CB-CH2 4.29Å; I335-W439 HydrophobicContact CB-CZ3 4.2Å; I335-W439 HydrophobicContact CG1-CH2 3.99Å; I335-W439 HydrophobicContact CG1-CZ3 3.54Å; I335-W439 HydrophobicContact CG2-CE3 4.43Å; I335-W439 HydrophobicContact CG2-CH2 3.72Å; I335-W439 HydrophobicContact CG2-CZ2 4.46Å; I335-W439 HydrophobicContact CG2-CZ3 3.72Å; T336-W439 HydrophobicContact CG2-CZ2 4.2Å; T336-W439 WeakPolarHBondContact OG1-CZ2 3.5Å; Y340-W439 AromaticContact CD2-CH2 3.61Å; Y340-W439 HydrophobicContact CD2-CH2 3.61Å; Y340-W439 AromaticContact CD2-CZ2 3.47Å; Y340-W439 HydrophobicContact CD2-CZ2 3.47Å; Y340-W439 VanDerWaalsContact CD2-CZ2 3.47Å; Y340-W439 HydrophobicContact CE2-CD2 4.32Å; Y340-W439 AromaticContact CE2-CE2 3.74Å; Y340-W439 HydrophobicContact CE2-CE3 4.4Å; Y340-W439 AromaticContact CE2-CH2 3.34Å; Y340-W439 HydrophobicContact CE2-CH2 3.34Å; Y340-W439 AromaticContact CE2-CZ2 3.27Å; Y340-W439 HydrophobicContact CE2-CZ2 3.27Å; Y340-W439 AromaticContact CE2-CZ3 3.92Å; Y340-W439 HydrophobicContact CE2-CZ3 3.92Å; Y380-W439 PolarHBondContact OH-NE1 3.35Å; V411-W439 HydrophobicContact CG2-CZ2 4.13Å; W439-T443 WeakPolarHBondContact CB-OG1 3.45Å; W439-G444 WeakPolarHBondContact CZ3-O 3.44Å; W439-G445 WeakPolarHBondContact CB-O 3.38Å; W439-G445 VanDerWaalsContact CE3-C 3.45Å; W439-G445 VanDerWaalsContact CE3-CA 3.49Å; W439-I446 HydrophobicContact CD2-CG1 4.4Å; W439-I446 HydrophobicContact CG-CG1 4.19Å
440	Q	95.4	Very high	97.3	Very high	20 Å²	20	15 Å²	15	9%	0.093	8%	0.082	C	C	.	.			trans	-139.6	172.8	-174	-47.2	177.9	-57.9	0	0	111.2	W438 E442 T443 T526 D528	W438-Q440 HydrophobicContact CZ2-CG 4.14Å; Q440-E442 WeakPolarHBondContact CB-OE2 3.42Å; Q440-E442 PolarHBondContact O-N 2.83Å; Q440-T443 HydrophobicContact CB-CG2 4.03Å; Q440-T443 HydrophobicContact CG-CG2 4.29Å; Q440-T443 PolarHBondContact N-OG1 3.45Å; Q440-T443 PolarHBondContact O-N 3.24Å; Q440-T443 VanDerWaalsContact O-N 3.16Å; Q440-T443 PolarHBondContact O-OG1 3.08Å; Q440-T526 PolarHBondContact NE2-O 2.82Å; Q440-T526 PolarHBondContact OE1-O 3.38Å; Q440-D528 PolarHBondContact NE2-OD2 2.67Å
441	T	92.3	Very high	97.3	Very high	24 Å²	24	14.9 Å²	14.9	15%	0.147	7%	0.068	C	C	.	.	G	3₁₀ helix	trans	-61	-36.2	174.6	-61.6	0	0	0	0	111.1	L287 T289 L299 H301 I335 T443 G444	L287-T441 HydrophobicContact CB-CG2 4.39Å; L287-T441 HydrophobicContact CD2-CG2 3.9Å; L287-T441 HydrophobicContact CG-CG2 4.32Å; T289-T441 HydrophobicContact CG2-CG2 3.52Å; L299-T441 HydrophobicContact CB-CG2 4.23Å; L299-T441 HydrophobicContact CG-CG2 4.37Å; H301-T441 PolarHBondContact NE2-O 3Å; I335-T441 HydrophobicContact CB-CG2 4.25Å; I335-T441 HydrophobicContact CD1-CG2 4.47Å; T441-T443 VanDerWaalsContact C-N 3.28Å; T441-T443 PolarHBondContact O-N 2.96Å; T441-G444 PolarHBondContact O-N 3.39Å
442	E	97.6	Very high	97.3	Very high	18 Å²	18	9.6 Å²	9.6	8%	0.084	5%	0.048	C	C	.	.	G	3₁₀ helix	trans	-71	-20.3	179.4	-62.4	89.7	158.9	0	0	113.4	K297 L299 Q440 M501 A502 Y516 F524	K297-E442 IonicContact NZ-OE1 3.52Å; L299-E442 HydrophobicContact CD1-CG 3.75Å; L299-E442 HydrophobicContact CG-CG 4.05Å; Q440-E442 WeakPolarHBondContact CB-OE2 3.42Å; Q440-E442 PolarHBondContact O-N 2.83Å; E442-M501 CarbonylContact O-C 3.55Å; E442-M501 WeakPolarHBondContact O-CA 3.35Å; E442-A502 PolarHBondContact O-N 3.41Å; E442-Y516 HydrophobicContact CB-CE1 4.47Å; E442-Y516 HydrophobicContact CG-CE1 3.63Å; E442-Y516 HydrophobicContact CG-CE2 4.33Å; E442-Y516 WeakPolarHBondContact CG-OH 3.44Å; E442-Y516 WeakPolarHBondContact OE1-CE1 3.32Å; E442-Y516 PolarHBondContact OE1-OH 3.39Å; E442-F524 HydrophobicContact CB-CE2 4.45Å; E442-F524 HydrophobicContact CB-CZ 3.78Å
443	T	98.6	Very high	97	Very high	0 Å²	0	10.3 Å²	10.3	0%	0	5%	0.053	C	C	.	.	G	3₁₀ helix	trans	-91.4	-14.2	-179.4	72.2	0	0	0	0	113.2	W439 Q440 T441 G445 C447 W498 G500	W439-T443 WeakPolarHBondContact CB-OG1 3.45Å; Q440-T443 HydrophobicContact CB-CG2 4.03Å; Q440-T443 HydrophobicContact CG-CG2 4.29Å; Q440-T443 PolarHBondContact N-OG1 3.45Å; Q440-T443 PolarHBondContact O-N 3.24Å; Q440-T443 VanDerWaalsContact O-N 3.16Å; Q440-T443 PolarHBondContact O-OG1 3.08Å; T441-T443 VanDerWaalsContact C-N 3.28Å; T441-T443 PolarHBondContact O-N 2.96Å; T443-G445 PolarHBondContact O-N 3.29Å; T443-G445 PolarHBondContact OG1-O 3.38Å; T443-C447 WeakPolarHBondContact CB-SG 3.39Å; T443-W498 HydrophobicContact CG2-CZ2 3.84Å; T443-W498 PolarHBondContact O-NE1 2.96Å; T443-G500 CarbonylContact C-O 3.59Å; T443-G500 CarbonylContact O-C 3.22Å; T443-G500 VanDerWaalsContact O-C 3.31Å
444	G	98.5	Very high	96.7	Very high	1 Å²	1	12.1 Å²	12.1	1%	0.01	6%	0.059	C	C	.	.	S	Bend	trans	71.1	-31.8	179.3	0	0	0	0	0	115.1	H301 S339 W439 T441 G500	H301-G444 VanDerWaalsContact CE1-CA 3.41Å; H301-G444 WeakPolarHBondContact CE1-CA 3.48Å; S339-G444 PolarHBondContact OG-O 3.42Å; W439-G444 WeakPolarHBondContact CZ3-O 3.44Å; T441-G444 PolarHBondContact O-N 3.39Å; G444-G500 VanDerWaalsContact CA-O 3.31Å; G444-G500 WeakPolarHBondContact CA-O 3.31Å; G444-G500 PolarHBondContact N-O 3.4Å
445	G	98.6	Very high	96	Very high	0 Å²	0	17.8 Å²	17.8	0%	0	10%	0.096	C	C	.	.	S	Bend	trans	-152.3	-179.2	173.9	0	0	0	0	0	112.7	Y340 W439 T443 C447	Y340-G445 WeakPolarHBondContact OH-CA 3.35Å; W439-G445 WeakPolarHBondContact CB-O 3.38Å; W439-G445 VanDerWaalsContact CE3-C 3.45Å; W439-G445 VanDerWaalsContact CE3-CA 3.49Å; T443-G445 PolarHBondContact O-N 3.29Å; T443-G445 PolarHBondContact OG1-O 3.38Å; G445-C447 PolarHBondContact O-N 3.39Å
446	I	98.9	Very high	95.5	Very high	0 Å²	0	23.7 Å²	23.7	0%	0	13%	0.127	C	C	.	.			trans	-56.1	129.4	-176.7	-64.6	159.9	0	0	0	110.6	Y309 T313 V317 F318 Y340 T437 W439 A449	Y309-I446 WeakPolarHBondContact CE1-O 3.49Å; Y309-I446 PolarHBondContact OH-O 3.46Å; T313-I446 HydrophobicContact CG2-CB 4.13Å; T313-I446 WeakPolarHBondContact CG2-O 3.36Å; V317-I446 HydrophobicContact CB-CD1 4.22Å; V317-I446 HydrophobicContact CG1-CD1 4.11Å; V317-I446 HydrophobicContact CG2-CB 4.41Å; V317-I446 HydrophobicContact CG2-CD1 4.26Å; V317-I446 HydrophobicContact CG2-CG2 4.04Å; F318-I446 HydrophobicContact CE2-CD1 3.68Å; F318-I446 HydrophobicContact CZ-CD1 3.94Å; Y340-I446 HydrophobicContact CE1-CD1 3.95Å; Y340-I446 HydrophobicContact CE1-CG1 4.5Å; Y340-I446 HydrophobicContact CE2-CD1 3.93Å; Y340-I446 HydrophobicContact CE2-CG1 3.81Å; Y340-I446 VanDerWaalsContact OH-CG1 3.28Å; Y340-I446 WeakPolarHBondContact OH-CG1 3.46Å; Y340-I446 PolarHBondContact OH-N 3.18Å; T437-I446 HydrophobicContact CG2-CD1 3.87Å; T437-I446 HydrophobicContact CG2-CG1 4.26Å; T437-I446 HydrophobicContact CG2-CG2 4.27Å; W439-I446 HydrophobicContact CD2-CG1 4.4Å; W439-I446 HydrophobicContact CG-CG1 4.19Å; I446-A449 HydrophobicContact CG2-CB 3.79Å
447	C	98.8	Very high	95.3	Very high	0 Å²	0	24.2 Å²	24.2	0%	0	13%	0.133	C	C	.	.			trans	-109.8	-39.1	-179.1	-75.7	0	0	0	0	112.8	W438 T443 G445 P467 F468 I471 M494	W438-C447 HydrophobicContact CE3-CB 3.86Å; W438-C447 HydrophobicContact CZ3-CB 3.58Å; W438-C447 PolarHBondContact O-N 3.15Å; T443-C447 WeakPolarHBondContact CB-SG 3.39Å; G445-C447 PolarHBondContact O-N 3.39Å; C447-P467 CarbonylContact O-C 3.54Å; C447-P467 WeakPolarHBondContact O-CA 3.42Å; C447-F468 WeakPolarHBondContact O-CB 3.1Å; C447-F468 PolarHBondContact O-N 3.01Å; C447-I471 HydrophobicContact CB-CD1 4.44Å; C447-I471 HydrophobicContact CB-CG1 4.32Å; C447-I471 HydrophobicContact CB-CG2 4.25Å; C447-M494 HydrophobicContact CB-CE 4.14Å
448	I	98.8	Very high	95.1	Very high	0 Å²	0	30 Å²	30	0%	0	16%	0.16	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.1	125.2	-179.7	-53.6	176.3	0	0	0	107.6	W438 A464 R466 P473 L492 Y538 I540	W438-I448 HydrophobicContact CB-CB 4.45Å; W438-I448 HydrophobicContact CE3-CB 4.09Å; W438-I448 HydrophobicContact CE3-CD1 3.73Å; W438-I448 HydrophobicContact CE3-CG1 3.75Å; W438-I448 HydrophobicContact CZ3-CD1 4.03Å; W438-I448 HydrophobicContact CZ3-CG1 4.16Å; W438-I448 PolarHBondContact N-O 3.41Å; W438-I448 PolarHBondContact O-N 2.8Å; W438-I448 VanDerWaalsContact O-N 3.1Å; I448-A464 HydrophobicContact CB-CB 4.19Å; I448-A464 HydrophobicContact CG2-CB 3.69Å; I448-R466 CarbonylContact C-O 3.56Å; I448-R466 WeakPolarHBondContact CA-O 3.39Å; I448-R466 WeakPolarHBondContact CG2-O 3.36Å; I448-P473 HydrophobicContact CD1-CG 4.16Å; I448-L492 HydrophobicContact CD1-CD2 4.26Å; I448-Y538 HydrophobicContact CD1-CG 4.31Å; I448-I540 HydrophobicContact CD1-CD1 4.49Å
449	A	98.3	Very high	95	Very high	1 Å²	1	30.5 Å²	30.5	1%	0.008	16%	0.164	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-156.6	156.3	178.6	0	0	0	0	0	111.6	V317 D436 T437 I446 K451 A464 R466	V317-A449 HydrophobicContact CG1-CB 3.84Å; D436-A449 WeakPolarHBondContact O-CA 3.5Å; T437-A449 HydrophobicContact CG2-CB 4.08Å; I446-A449 HydrophobicContact CG2-CB 3.79Å; A449-K451 WeakPolarHBondContact CB-O 3.31Å; A449-K451 PolarHBondContact O-N 3.21Å; A449-A464 CarbonylContact C-O 3.6Å; A449-A464 WeakPolarHBondContact CA-O 3.27Å; A449-A464 PolarHBondContact N-O 3.49Å; A449-R466 PolarHBondContact N-O 3.06Å; A449-R466 PolarHBondContact O-N 2.84Å
450	P	97.2	Very high	94.9	Very high	0 Å²	0	31.6 Å²	31.6	0%	0	17%	0.173	C	C	.	.	S	Bend	trans	-59.6	-30.7	178.1	-28.3	35.1	0	0	0	113.4	D436 S453 I459 A464 M465 R466	D436-P450 WeakPolarHBondContact O-CD 3.37Å; P450-S453 WeakPolarHBondContact O-CB 3.21Å; P450-I459 HydrophobicContact CB-CB 4.38Å; P450-I459 HydrophobicContact CB-CD1 4.02Å; P450-I459 HydrophobicContact CB-CG1 3.9Å; P450-I459 HydrophobicContact CB-CG2 3.8Å; P450-I459 HydrophobicContact CG-CG2 3.89Å; P450-A464 VanDerWaalsContact CD-O 3.26Å; P450-A464 WeakPolarHBondContact CD-O 3.43Å; P450-M465 HydrophobicContact CB-SD 3.96Å; P450-M465 HydrophobicContact CG-CG 4.41Å; P450-M465 HydrophobicContact CG-SD 4.14Å; P450-R466 PolarHBondContact O-NH1 3.17Å
451	K	96.1	Very high	94.6	Very high	45 Å²	45	32.8 Å²	32.8	20%	0.196	18%	0.183	C	C	.	.			trans	-111.7	153.9	176.6	-74.8	-170.5	174.8	-173.4	0	111.3	V317 P433 V435 A449	V317-K451 WeakPolarHBondContact O-CB 3.31Å; P433-K451 VanDerWaalsContact CG-CE 3.44Å; V435-K451 HydrophobicContact CG1-CB 3.89Å; V435-K451 HydrophobicContact CG1-CD 3.78Å; V435-K451 HydrophobicContact CG1-CG 3.79Å; A449-K451 WeakPolarHBondContact CB-O 3.31Å; A449-K451 PolarHBondContact O-N 3.21Å
452	P	94.6	Very high	94	Very high	2 Å²	2	32.3 Å²	32.3	1%	0.013	18%	0.182	C	C	.	.	S	Bend	cis	-71.3	141.1	2.4	30.7	-36.9	0	0	0	113.2	F40 R53 F468 F469	F40-P452 HydrophobicContact CE1-CB 3.84Å; F40-P452 HydrophobicContact CE2-CB 4.43Å; F40-P452 HydrophobicContact CZ-CB 3.4Å; F40-P452 HydrophobicContact CZ-CG 4.46Å; R53-P452 PolarHBondContact NE-O 3.09Å; P452-F468 HydrophobicContact CG-CD2 4.3Å; P452-F468 HydrophobicContact CG-CE2 4.06Å; P452-F469 HydrophobicContact CB-CZ 4.42Å; P452-F469 HydrophobicContact CG-CE1 4.29Å; P452-F469 HydrophobicContact CG-CE2 3.76Å; P452-F469 HydrophobicContact CG-CZ 3.56Å
453	S	92.4	Very high	93.7	Very high	15 Å²	15	31.9 Å²	31.9	11%	0.105	18%	0.18	C	C	.	.			trans	-153.1	168.1	-178.1	67.5	0	0	0	0	110.3	W35 P450	W35-S453 VanDerWaalsContact CH2-CA 3.41Å; W35-S453 WeakPolarHBondContact CH2-O 3.29Å; P450-S453 WeakPolarHBondContact O-CB 3.21Å
454	E	89.1	Confident	93.5	Very high	69 Å²	69	32 Å²	32	32%	0.322	18%	0.181	S	C	.	.			trans	-59.1	153.8	174.5	-69.1	71.9	-171.4	0	0	108.7	W35 D456 A457	W35-E454 HydrophobicContact CD2-CG 4.27Å; W35-E454 HydrophobicContact CE3-CB 4.02Å; W35-E454 HydrophobicContact CE3-CG 3.26Å; W35-E454 VanDerWaalsContact CH2-N 3.34Å; W35-E454 VanDerWaalsContact CZ3-CA 3.43Å; W35-E454 HydrophobicContact CZ3-CB 4.01Å; W35-E454 HydrophobicContact CZ3-CG 3.6Å; W35-E454 WeakPolarHBondContact CZ3-OE1 3.38Å; W35-E454 WeakPolarHBondContact CZ3-OE2 3.41Å; E454-D456 PolarHBondContact O-N 2.97Å; E454-A457 HydrophobicContact CB-CB 4.07Å; E454-A457 VanDerWaalsContact O-CB 3.28Å; E454-A457 WeakPolarHBondContact O-CB 3.28Å; E454-A457 PolarHBondContact O-N 2.94Å
455	P	84.4	Confident	93.4	Very high	120 Å²	120	31.9 Å²	31.9	78%	0.779	18%	0.18	S	C	*	.	T	Hydrogen-bonded Turn	trans	-54.1	-36	176.6	-28.3	35.8	0	0	0	114.3
456	D	86.5	Confident	93.4	Very high	124 Å²	124	32.6 Å²	32.6	66%	0.663	18%	0.183	S	C	*	.	T	Hydrogen-bonded Turn	trans	-96.1	5.1	-180	-76.2	-5	0	0	0	113.2	R30 E454	R30-D456 IonicContact NH1-OD2 2.9Å; R30-D456 PolarHBondContact NH1-OD2 2.86Å; E454-D456 PolarHBondContact O-N 2.97Å
457	A	91.8	Very high	93.3	Very high	24 Å²	24	33.4 Å²	33.4	20%	0.198	19%	0.188	C	C	.	.			trans	-65.3	138.9	-178.9	0	0	0	0	0	110.9	E454	E454-A457 HydrophobicContact CB-CB 4.07Å; E454-A457 VanDerWaalsContact O-CB 3.28Å; E454-A457 WeakPolarHBondContact O-CB 3.28Å; E454-A457 PolarHBondContact O-N 2.94Å
458	E	93.6	Very high	93.3	Very high	124 Å²	124	33.5 Å²	33.5	58%	0.579	19%	0.188	S	C	*	.			trans	-62	141.4	177	-176.9	177.4	-161.2	0	0	111.4	V460 M465 R466	E458-V460 HydrophobicContact CG-CG2 4.21Å; E458-M465 WeakPolarHBondContact O-CE 3.47Å; E458-R466 PolarHBondContact O-NH1 2.74Å; E458-R466 VanDerWaalsContact O-NH1 3.1Å; E458-R466 PolarHBondContact O-NH2 2.87Å
459	I	95.8	Very high	93.3	Very high	33 Å²	33	33.6 Å²	33.6	17%	0.169	19%	0.189	C	C	.	.			trans	-118.8	114.5	165.7	-58.6	-177	0	0	0	107.5	W420 P433 P450 M465	W420-I459 HydrophobicContact CZ2-CB 4.47Å; W420-I459 HydrophobicContact CZ2-CG2 3.7Å; P433-I459 HydrophobicContact CB-CD1 3.55Å; P450-I459 HydrophobicContact CB-CB 4.38Å; P450-I459 HydrophobicContact CB-CD1 4.02Å; P450-I459 HydrophobicContact CB-CG1 3.9Å; P450-I459 HydrophobicContact CB-CG2 3.8Å; P450-I459 HydrophobicContact CG-CG2 3.89Å; I459-M465 HydrophobicContact CB-SD 4.46Å; I459-M465 HydrophobicContact CG2-SD 4.26Å
460	V	95.2	Very high	93.2	Very high	43 Å²	43	33.6 Å²	33.6	26%	0.261	19%	0.189	S	C	.	.			trans	-81.5	125.6	178	179.1	0	0	0	0	108.6	E458 G462 M463 M465 Y537	E458-V460 HydrophobicContact CG-CG2 4.21Å; V460-G462 PolarHBondContact O-N 2.82Å; V460-M463 HydrophobicContact CB-CB 4.05Å; V460-M463 HydrophobicContact CB-SD 4.17Å; V460-M463 HydrophobicContact CG1-CB 4.12Å; V460-M463 HydrophobicContact CG1-SD 4.15Å; V460-M463 PolarHBondContact O-N 3.44Å; V460-M465 HydrophobicContact CB-CE 4.17Å; V460-M465 HydrophobicContact CB-SD 4.21Å; V460-M465 HydrophobicContact CG2-CE 3.75Å; V460-M465 HydrophobicContact CG2-SD 4.43Å; V460-M465 PolarHBondContact N-SD 3.35Å; V460-Y537 HydrophobicContact CG2-CD2 4.28Å; V460-Y537 HydrophobicContact CG2-CE2 4.34Å
461	P	90.7	Very high	93.3	Very high	46 Å²	46	33.6 Å²	33.6	30%	0.299	19%	0.189	S	C	.	.	T	Hydrogen-bonded Turn	trans	-54.1	134.8	178.7	-28.2	35.6	0	0	0	113.1	T417 W420 M463	T417-P461 HydrophobicContact CG2-CB 4Å; W420-P461 HydrophobicContact CD2-CB 3.74Å; W420-P461 HydrophobicContact CD2-CG 4.28Å; W420-P461 HydrophobicContact CE3-CB 3.54Å; W420-P461 HydrophobicContact CE3-CG 3.71Å; W420-P461 HydrophobicContact CG-CB 4.18Å; W420-P461 HydrophobicContact CH2-CG 4.22Å; W420-P461 HydrophobicContact CZ3-CB 4.07Å; W420-P461 HydrophobicContact CZ3-CG 3.7Å; P461-M463 PolarHBondContact O-N 3.44Å
462	G	79.6	Confident	93.4	Very high	13 Å²	13	36.2 Å²	36.2	13%	0.134	20%	0.2	C	C	.	.	T	Hydrogen-bonded Turn	trans	69.8	13.6	176.5	0	0	0	0	0	115.5	I415 V460	I415-G462 WeakPolarHBondContact O-CA 3.22Å; V460-G462 PolarHBondContact O-N 2.82Å
463	M	91.4	Very high	93.6	Very high	10 Å²	10	36.8 Å²	36.8	5%	0.049	20%	0.204	C	C	.	.			trans	-118.4	131.7	-178.4	-160.2	176.6	-161.5	0	0	111.2	V460 P461 M465 Y537 Y538 Q539	V460-M463 HydrophobicContact CB-CB 4.05Å; V460-M463 HydrophobicContact CB-SD 4.17Å; V460-M463 HydrophobicContact CG1-CB 4.12Å; V460-M463 HydrophobicContact CG1-SD 4.15Å; V460-M463 PolarHBondContact O-N 3.44Å; P461-M463 PolarHBondContact O-N 3.44Å; M463-M465 VanDerWaalsContact C-N 3.28Å; M463-M465 HydrophobicContact CB-CG 3.82Å; M463-M465 HydrophobicContact CG-CG 3.84Å; M463-M465 WeakPolarHBondContact O-CG 3.2Å; M463-M465 HydrophobicContact SD-CG 4.16Å; M463-Y537 WeakPolarHBondContact CE-O 3.35Å; M463-Y537 VanDerWaalsContact SD-CB 3.57Å; M463-Y537 HydrophobicContact SD-CD2 4.39Å; M463-Y537 HydrophobicContact SD-CG 4.4Å; M463-Y538 WeakPolarHBondContact CG-O 3.46Å; M463-Q539 HydrophobicContact CE-CB 3.79Å; M463-Q539 HydrophobicContact CG-CB 3.94Å; M463-Q539 HydrophobicContact CG-CG 4.48Å
464	A	93.6	Very high	93.8	Very high	1 Å²	1	36.3 Å²	36.3	1%	0.008	20%	0.2	C	C	.	.			trans	-70.7	-27.1	174	0	0	0	0	0	111.8	W438 I448 A449 P450 R466 Y538 I540	W438-A464 HydrophobicContact CB-CB 3.94Å; I448-A464 HydrophobicContact CB-CB 4.19Å; I448-A464 HydrophobicContact CG2-CB 3.69Å; A449-A464 CarbonylContact C-O 3.6Å; A449-A464 WeakPolarHBondContact CA-O 3.27Å; A449-A464 PolarHBondContact N-O 3.49Å; P450-A464 VanDerWaalsContact CD-O 3.26Å; P450-A464 WeakPolarHBondContact CD-O 3.43Å; A464-R466 PolarHBondContact O-N 3.44Å; A464-Y538 PolarHBondContact N-O 2.72Å; A464-I540 HydrophobicContact CB-CG1 4.36Å
465	M	96.4	Very high	94.2	Very high	0 Å²	0	33 Å²	33	0%	0	19%	0.185	C	C	.	.	B	Isolated β-bridge	trans	65.4	-92.3	172	-52.2	178.9	78.7	0	0	115.6	P450 E458 I459 V460 M463 Y537 Y538	P450-M465 HydrophobicContact CB-SD 3.96Å; P450-M465 HydrophobicContact CG-CG 4.41Å; P450-M465 HydrophobicContact CG-SD 4.14Å; E458-M465 WeakPolarHBondContact O-CE 3.47Å; I459-M465 HydrophobicContact CB-SD 4.46Å; I459-M465 HydrophobicContact CG2-SD 4.26Å; V460-M465 HydrophobicContact CB-CE 4.17Å; V460-M465 HydrophobicContact CB-SD 4.21Å; V460-M465 HydrophobicContact CG2-CE 3.75Å; V460-M465 HydrophobicContact CG2-SD 4.43Å; V460-M465 PolarHBondContact N-SD 3.35Å; M463-M465 VanDerWaalsContact C-N 3.28Å; M463-M465 HydrophobicContact CB-CG 3.82Å; M463-M465 HydrophobicContact CG-CG 3.84Å; M463-M465 WeakPolarHBondContact O-CG 3.2Å; M463-M465 HydrophobicContact SD-CG 4.16Å; M465-Y537 HydrophobicContact CB-CD1 4.02Å; M465-Y537 HydrophobicContact CB-CG 4.13Å; M465-Y537 HydrophobicContact CE-CD1 3.9Å; M465-Y537 HydrophobicContact CE-CD2 3.44Å; M465-Y537 VanDerWaalsContact CE-CD2 3.44Å; M465-Y537 HydrophobicContact CE-CE1 3.73Å; M465-Y537 HydrophobicContact CE-CE2 3.24Å; M465-Y537 HydrophobicContact CE-CG 3.77Å; M465-Y537 VanDerWaalsContact CE-CZ 3.41Å; M465-Y537 HydrophobicContact CG-CG 4.33Å; M465-Y538 PolarHBondContact N-O 3.2Å; M465-Y538 PolarHBondContact O-N 3.27Å
466	R	97.4	Very high	94.8	Very high	15 Å²	15	27.4 Å²	27.4	6%	0.057	15%	0.149	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.3	135.7	-156.5	-51	178.6	176.3	78.4	7.9	111	I448 A449 P450 E458 A464 Y537	I448-R466 CarbonylContact C-O 3.56Å; I448-R466 WeakPolarHBondContact CA-O 3.39Å; I448-R466 WeakPolarHBondContact CG2-O 3.36Å; A449-R466 PolarHBondContact N-O 3.06Å; A449-R466 PolarHBondContact O-N 2.84Å; P450-R466 PolarHBondContact O-NH1 3.17Å; E458-R466 PolarHBondContact O-NH1 2.74Å; E458-R466 VanDerWaalsContact O-NH1 3.1Å; E458-R466 PolarHBondContact O-NH2 2.87Å; A464-R466 PolarHBondContact O-N 3.44Å; R466-Y537 HydrophobicContact CG-CD1 4.09Å; R466-Y537 HydrophobicContact CG-CE1 4.02Å; R466-Y537 PolarHBondContact NH2-OH 2.83Å
467	P	98.3	Very high	94.9	Very high	16 Å²	16	23.5 Å²	23.5	10%	0.104	13%	0.128	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-65.4	140.5	173.2	26.3	-33	0	0	0	111.2	R53 H57 C447 I471 P473	R53-P467 PolarHBondContact NH2-O 2.69Å; H57-P467 PolarHBondContact CD2-O 3.11Å; H57-P467 WeakPolarHBondContact NE2-CG 3.43Å; C447-P467 CarbonylContact O-C 3.54Å; C447-P467 WeakPolarHBondContact O-CA 3.42Å; P467-I471 HydrophobicContact CB-CB 4.19Å; P467-I471 HydrophobicContact CB-CG2 4.12Å; P467-P473 HydrophobicContact CB-CG 3.75Å; P467-P473 HydrophobicContact CG-CG 4.33Å
468	F	98.5	Very high	94.3	Very high	3 Å²	3	27.3 Å²	27.3	1%	0.013	15%	0.149	C	C	.	.	P	Polyproline II helix	trans	-70.6	167.7	173.4	-166.7	-104.9	0	0	0	111.2	H57 Y309 L312 T313 Y316 V317 C447 P452 G470 I471	H57-F468 PolarHBondContact CD2-O 3.22Å; H57-F468 VanDerWaalsContact CD2-O 3.24Å; H57-F468 PolarHBondContact NE2-O 2.84Å; Y309-F468 AromaticContact CE2-CD1 3.92Å; Y309-F468 HydrophobicContact CE2-CD1 3.92Å; Y309-F468 HydrophobicContact CE2-CE1 4.24Å; Y309-F468 AromaticContact CZ-CD1 3.91Å; Y309-F468 WeakPolarHBondContact OH-CD1 3.32Å; L312-F468 HydrophobicContact CB-CE1 4.35Å; L312-F468 HydrophobicContact CB-CZ 4.27Å; T313-F468 HydrophobicContact CG2-CD1 3.61Å; T313-F468 HydrophobicContact CG2-CD2 4.35Å; T313-F468 HydrophobicContact CG2-CE1 3.44Å; T313-F468 VanDerWaalsContact CG2-CE1 3.44Å; T313-F468 HydrophobicContact CG2-CE2 4.22Å; T313-F468 HydrophobicContact CG2-CG 4.07Å; T313-F468 HydrophobicContact CG2-CZ 3.78Å; Y316-F468 HydrophobicContact CD2-CZ 4.45Å; V317-F468 HydrophobicContact CG2-CD2 3.83Å; V317-F468 HydrophobicContact CG2-CE2 3.81Å; C447-F468 WeakPolarHBondContact O-CB 3.1Å; C447-F468 PolarHBondContact O-N 3.01Å; P452-F468 HydrophobicContact CG-CD2 4.3Å; P452-F468 HydrophobicContact CG-CE2 4.06Å; F468-G470 PolarHBondContact O-N 3.19Å; F468-I471 HydrophobicContact CB-CG1 4.18Å; F468-I471 VanDerWaalsContact O-CB 3.3Å; F468-I471 WeakPolarHBondContact O-CB 3.48Å; F468-I471 PolarHBondContact O-N 3.37Å
469	F	97.8	Very high	93.7	Very high	2 Å²	2	28 Å²	28	1%	0.009	15%	0.152	C	C	.	.	T	Hydrogen-bonded Turn	trans	-58.3	134.6	179.6	-52.5	-46.1	0	0	0	111.8	F40 M41 R53 L56 H57 S60 F67 P452 I471	F40-F469 HydrophobicContact CE1-CZ 4.45Å; M41-F469 HydrophobicContact SD-CD2 4.11Å; M41-F469 HydrophobicContact SD-CE2 3.87Å; R53-F469 HydrophobicContact CG-CE1 4.35Å; L56-F469 HydrophobicContact CB-CE1 4.27Å; L56-F469 HydrophobicContact CD2-CE1 3.81Å; L56-F469 HydrophobicContact CD2-CE2 4.11Å; L56-F469 HydrophobicContact CD2-CZ 3.51Å; L56-F469 HydrophobicContact CG-CD1 4.28Å; L56-F469 HydrophobicContact CG-CE1 3.81Å; L56-F469 HydrophobicContact CG-CZ 4.04Å; H57-F469 HydrophobicContact CB-CD1 4.23Å; H57-F469 HydrophobicContact CB-CE1 4.47Å; S60-F469 WeakPolarHBondContact OG-CA 3.45Å; F67-F469 HydrophobicContact CE1-CB 3.99Å; F67-F469 HydrophobicContact CE2-CB 4.46Å; F67-F469 HydrophobicContact CZ-CB 3.6Å; F67-F469 HydrophobicContact CZ-CD2 4.23Å; F67-F469 HydrophobicContact CZ-CG 4.05Å; P452-F469 HydrophobicContact CB-CZ 4.42Å; P452-F469 HydrophobicContact CG-CE1 4.29Å; P452-F469 HydrophobicContact CG-CE2 3.76Å; P452-F469 HydrophobicContact CG-CZ 3.56Å; F469-I471 PolarHBondContact O-N 2.77Å
470	G	97.4	Very high	93.3	Very high	0 Å²	0	28 Å²	28	0%	0	16%	0.16	C	C	.	.	T	Hydrogen-bonded Turn	trans	73.9	-0.1	-174.6	0	0	0	0	0	115	S60 F468 Q496	S60-G470 PolarHBondContact OG-N 2.78Å; F468-G470 PolarHBondContact O-N 3.19Å; G470-Q496 PolarHBondContact O-NE2 3.21Å
471	I	98.6	Very high	93.2	Very high	0 Å²	0	31.8 Å²	31.8	0%	0	17%	0.173	C	C	.	.			trans	-93.9	125.7	176.2	-57.3	-58.7	0	0	0	109.7	H57 Y309 C447 P467 F468 F469 P473 M494 W498	H57-I471 PolarHBondContact NE2-O 3.29Å; Y309-I471 WeakPolarHBondContact OH-CD1 3.3Å; Y309-I471 VanDerWaalsContact OH-CG1 3.24Å; Y309-I471 WeakPolarHBondContact OH-CG1 3.39Å; C447-I471 HydrophobicContact CB-CD1 4.44Å; C447-I471 HydrophobicContact CB-CG1 4.32Å; C447-I471 HydrophobicContact CB-CG2 4.25Å; P467-I471 HydrophobicContact CB-CB 4.19Å; P467-I471 HydrophobicContact CB-CG2 4.12Å; F468-I471 HydrophobicContact CB-CG1 4.18Å; F468-I471 VanDerWaalsContact O-CB 3.3Å; F468-I471 WeakPolarHBondContact O-CB 3.48Å; F468-I471 PolarHBondContact O-N 3.37Å; F469-I471 PolarHBondContact O-N 2.77Å; I471-P473 HydrophobicContact CG2-CG 4.12Å; I471-M494 HydrophobicContact CG2-CE 3.9Å; I471-M494 HydrophobicContact CG2-SD 3.6Å; I471-M494 VanDerWaalsContact CG2-SD 3.6Å; I471-W498 HydrophobicContact CD1-CB 3.87Å; I471-W498 HydrophobicContact CD1-CD2 3.59Å; I471-W498 HydrophobicContact CD1-CE3 4.06Å; I471-W498 HydrophobicContact CD1-CG 3.48Å; I471-W498 VanDerWaalsContact CD1-CG 3.48Å
472	K	98	Very high	93.5	Very high	100 Å²	100	33.4 Å²	33.4	44%	0.435	18%	0.179	S	C	.	.			trans	-123.2	88.6	177.8	-170.4	-178.5	-177	175.7	0	110.1	V61 A495 Q496	V61-K472 HydrophobicContact CG1-CB 4.26Å; V61-K472 HydrophobicContact CG1-CD 3.76Å; V61-K472 HydrophobicContact CG1-CG 4.18Å; V61-K472 HydrophobicContact CG2-CB 4.47Å; K472-A495 HydrophobicContact CB-CB 4.41Å; K472-A495 HydrophobicContact CD-CB 3.99Å; K472-A495 HydrophobicContact CG-CB 4.09Å; K472-A495 PolarHBondContact O-N 3.17Å; K472-Q496 HydrophobicContact CB-CG 3.82Å
473	P	98.1	Very high	94.3	Very high	15 Å²	15	34.6 Å²	34.6	10%	0.097	18%	0.182	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-71.3	146.2	179.8	-11.9	26.6	0	0	0	111.9	I448 P467 I471 L492 C493 M494 Y538	I448-P473 HydrophobicContact CD1-CG 4.16Å; P467-P473 HydrophobicContact CB-CG 3.75Å; P467-P473 HydrophobicContact CG-CG 4.33Å; I471-P473 HydrophobicContact CG2-CG 4.12Å; P473-L492 HydrophobicContact CB-CD1 3.89Å; P473-C493 CarbonylContact C-O 3.42Å; P473-C493 WeakPolarHBondContact CA-O 3.22Å; P473-M494 HydrophobicContact CB-SD 4.28Å; P473-M494 HydrophobicContact CG-SD 4.4Å; P473-Y538 HydrophobicContact CB-CD1 4.35Å; P473-Y538 HydrophobicContact CB-CE1 3.71Å; P473-Y538 HydrophobicContact CB-CE2 4.26Å; P473-Y538 HydrophobicContact CG-CE1 4.41Å; P473-Y538 HydrophobicContact CG-CE2 4.13Å; P473-Y538 PolarHBondContact O-OH 2.84Å
474	A	98	Very high	94.4	Very high	4 Å²	4	39.8 Å²	39.8	3%	0.033	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.4	145.1	173.4	0	0	0	0	0	109.2	M476 L482 C493 A495 Y523	A474-M476 HydrophobicContact CB-CE 4.33Å; A474-L482 HydrophobicContact CB-CD1 3.68Å; A474-C493 HydrophobicContact CB-CB 4.36Å; A474-C493 PolarHBondContact N-O 3.01Å; A474-C493 PolarHBondContact O-N 3.01Å; A474-A495 HydrophobicContact CB-CB 4.34Å; A474-Y523 HydrophobicContact CB-CD1 3.98Å; A474-Y523 HydrophobicContact CB-CE1 3.85Å
475	L	98.1	Very high	94.4	Very high	0 Å²	0	43.1 Å²	43.1	0%	0	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.2	128.3	171.7	-63.6	-176.3	0	0	0	108.8	L483 A488 A491 L492 A530 R532 Y538	L475-L483 HydrophobicContact CB-CB 4.13Å; L475-L483 HydrophobicContact CB-CD1 4.16Å; L475-L483 WeakPolarHBondContact O-CB 3.27Å; L475-L483 PolarHBondContact O-N 3.03Å; L475-A488 VanDerWaalsContact CD1-O 3.27Å; L475-A488 WeakPolarHBondContact CD1-O 3.05Å; L475-A491 WeakPolarHBondContact CA-O 3.49Å; L475-L492 HydrophobicContact CD2-CB 4.47Å; L475-L492 HydrophobicContact CD2-CD1 4.06Å; L475-A530 HydrophobicContact CD2-CB 3.85Å; L475-R532 HydrophobicContact CD1-CB 3.66Å; L475-Y538 HydrophobicContact CD2-CE1 4.25Å; L475-Y538 HydrophobicContact CG-CE1 4.22Å
476	M	95.7	Very high	94.3	Very high	3 Å²	3	46 Å²	46	2%	0.015	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105	140.5	174.7	-54.9	-60.1	-176	0	0	110.3	A474 K481 L482 G490 A491 C493 Y520 Y523	A474-M476 HydrophobicContact CB-CE 4.33Å; M476-K481 WeakPolarHBondContact CA-O 3.5Å; M476-L482 HydrophobicContact CE-CD1 4.32Å; M476-L482 HydrophobicContact SD-CB 4.23Å; M476-L482 HydrophobicContact SD-CD1 4.18Å; M476-G490 CarbonylContact O-C 2.79Å; M476-G490 WeakPolarHBondContact O-CA 3.2Å; M476-A491 HydrophobicContact CB-CB 4.25Å; M476-A491 PolarHBondContact N-O 2.8Å; M476-A491 PolarHBondContact O-N 3.4Å; M476-C493 HydrophobicContact CE-CB 4.47Å; M476-Y520 HydrophobicContact CB-CD1 3.91Å; M476-Y520 HydrophobicContact CB-CE1 3.6Å; M476-Y520 HydrophobicContact CB-CE2 4.45Å; M476-Y520 HydrophobicContact CB-CG 4.47Å; M476-Y520 HydrophobicContact CG-CD1 3.72Å; M476-Y520 HydrophobicContact CG-CD2 4.36Å; M476-Y520 HydrophobicContact CG-CE1 3.95Å; M476-Y520 HydrophobicContact CG-CG 3.94Å; M476-Y523 HydrophobicContact CE-CD1 3.43Å; M476-Y523 VanDerWaalsContact CE-CD1 3.43Å; M476-Y523 HydrophobicContact CE-CD2 3.35Å; M476-Y523 HydrophobicContact CE-CE1 3.44Å; M476-Y523 VanDerWaalsContact CE-CE1 3.44Å; M476-Y523 HydrophobicContact CE-CE2 3.37Å; M476-Y523 HydrophobicContact CE-CG 3.41Å; M476-Y523 VanDerWaalsContact CE-CG 3.41Å; M476-Y523 VanDerWaalsContact CE-CZ 3.42Å
477	D	88.2	Confident	94.1	Very high	41 Å²	41	50.1 Å²	50.1	22%	0.219	28%	0.276	C	S	.	.			trans	-76.8	-174.1	170.2	72.5	13.1	0	0	0	111.9	E479 G480 K481 L483	D477-E479 PolarHBondContact O-N 3.28Å; D477-E479 WeakPolarHBondContact OD1-CA 3.21Å; D477-E479 WeakPolarHBondContact OD1-CB 3.36Å; D477-E479 PolarHBondContact OD1-N 3.01Å; D477-G480 PolarHBondContact O-N 3.46Å; D477-G480 PolarHBondContact OD1-N 3.27Å; D477-K481 PolarHBondContact N-O 3Å; D477-K481 PolarHBondContact OD1-N 3.07Å; D477-K481 WeakPolarHBondContact OD2-CB 3.43Å; D477-L483 HydrophobicContact CB-CD1 4.26Å; D477-L483 HydrophobicContact CB-CD2 3.97Å; D477-L483 HydrophobicContact CB-CG 4.12Å
478	T	79.4	Confident	93.8	Very high	104 Å²	104	50 Å²	50	64%	0.638	28%	0.276	S	S	*	.	T	Hydrogen-bonded Turn	trans	-71.1	-18.6	-180	56.8	0	0	0	0	114
479	E	82.5	Confident	93.5	Very high	138 Å²	138	53.5 Å²	53.5	65%	0.645	30%	0.302	S	S	*	.	T	Hydrogen-bonded Turn	trans	-92.6	-1.7	175.5	-61	-179.2	-177.9	0	0	111.8	D477 K481	D477-E479 PolarHBondContact O-N 3.28Å; D477-E479 WeakPolarHBondContact OD1-CA 3.21Å; D477-E479 WeakPolarHBondContact OD1-CB 3.36Å; D477-E479 PolarHBondContact OD1-N 3.01Å; E479-K481 WeakPolarHBondContact OE2-CE 3.37Å; E479-K481 IonicContact OE2-NZ 2.65Å; E479-K481 PolarHBondContact OE2-NZ 3.25Å
480	G	86.3	Confident	93.1	Very high	34 Å²	34	54.1 Å²	54.1	35%	0.351	31%	0.308	S	S	.	.	S	Bend	trans	77.8	19.6	-177	0	0	0	0	0	114.5	D477	D477-G480 PolarHBondContact O-N 3.46Å; D477-G480 PolarHBondContact OD1-N 3.27Å
481	K	93.4	Very high	93	Very high	123 Å²	123	54.4 Å²	54.4	54%	0.535	31%	0.311	S	S	.	.			trans	-87.2	144.5	172.7	-62.1	171.8	178.4	155	0	110.7	M476 D477 E479 L483	M476-K481 WeakPolarHBondContact CA-O 3.5Å; D477-K481 PolarHBondContact N-O 3Å; D477-K481 PolarHBondContact OD1-N 3.07Å; D477-K481 WeakPolarHBondContact OD2-CB 3.43Å; E479-K481 WeakPolarHBondContact OE2-CE 3.37Å; E479-K481 IonicContact OE2-NZ 2.65Å; E479-K481 PolarHBondContact OE2-NZ 3.25Å; K481-L483 PolarHBondContact O-N 3.38Å
482	L	96.9	Very high	93	Very high	80 Å²	80	54.4 Å²	54.4	42%	0.419	31%	0.311	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-68.7	124	177.2	-179.6	66.6	0	0	0	111	A474 M476 T484	A474-L482 HydrophobicContact CB-CD1 3.68Å; M476-L482 HydrophobicContact CE-CD1 4.32Å; M476-L482 HydrophobicContact SD-CB 4.23Å; M476-L482 HydrophobicContact SD-CD1 4.18Å; L482-T484 HydrophobicContact CD2-CG2 4.21Å; L482-T484 HydrophobicContact CG-CG2 4.25Å; L482-T484 PolarHBondContact O-N 3.25Å
483	L	95.3	Very high	93	Very high	37 Å²	37	49.7 Å²	49.7	19%	0.194	29%	0.29	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-84	109.2	171.6	-63.9	172.2	0	0	0	109.6	L475 D477 K481 A488 S489 R532	L475-L483 HydrophobicContact CB-CB 4.13Å; L475-L483 HydrophobicContact CB-CD1 4.16Å; L475-L483 WeakPolarHBondContact O-CB 3.27Å; L475-L483 PolarHBondContact O-N 3.03Å; D477-L483 HydrophobicContact CB-CD1 4.26Å; D477-L483 HydrophobicContact CB-CD2 3.97Å; D477-L483 HydrophobicContact CB-CG 4.12Å; K481-L483 PolarHBondContact O-N 3.38Å; L483-A488 HydrophobicContact CB-CB 4.41Å; L483-A488 HydrophobicContact CD1-CB 4.31Å; L483-S489 WeakPolarHBondContact CD1-O 3.23Å; L483-R532 PolarHBondContact O-NH2 2.94Å
484	T	94.4	Very high	93	Very high	119 Å²	119	49 Å²	49	73%	0.73	29%	0.285	S	S	*	.			trans	-92.7	-23	-177.8	55.4	0	0	0	0	113.5	L482 R532	L482-T484 HydrophobicContact CD2-CG2 4.21Å; L482-T484 HydrophobicContact CG-CG2 4.25Å; L482-T484 PolarHBondContact O-N 3.25Å; T484-R532 PolarHBondContact O-NH2 3.34Å
485	S	93.2	Very high	93	Very high	71 Å²	71	50.2 Å²	50.2	50%	0.497	30%	0.296	S	S	.	.	S	Bend	trans	-77.1	149.8	178.4	59.7	0	0	0	0	112.1	R532	S485-R532 PolarHBondContact O-NH2 3.39Å
486	N	94.6	Very high	92.9	Very high	62 Å²	62	51.4 Å²	51.4	33%	0.332	30%	0.302	S	S	.	.	S	Bend	trans	-71.1	173.6	162.8	-77.2	-6.4	0	0	0	110.7	R532 S533 Q534	N486-R532 WeakPolarHBondContact OD1-CD 3.42Å; N486-R532 PolarHBondContact OD1-NE 3.16Å; N486-S533 VanDerWaalsContact CB-O 3.28Å; N486-S533 WeakPolarHBondContact CB-O 3.27Å; N486-Q534 PolarHBondContact ND2-O 3.25Å
487	N	93.8	Very high	92.9	Very high	101 Å²	101	52.2 Å²	52.2	54%	0.54	31%	0.307	S	S	.	.	S	Bend	trans	55.8	50.3	-174	-166.1	30.2	0	0	0	112.1	Y531 R532	N487-Y531 VanDerWaalsContact OD1-CE2 3.31Å; N487-Y531 WeakPolarHBondContact OD1-CE2 3.33Å; N487-Y531 PolarHBondContact OD1-OH 3.3Å; N487-R532 WeakPolarHBondContact CA-O 3.35Å; N487-R532 PolarHBondContact N-O 3.18Å
488	A	92.6	Very high	93.4	Very high	12 Å²	12	50.2 Å²	50.2	10%	0.099	30%	0.296	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.5	144.2	-174.5	0	0	0	0	0	110.9	L475 L483 Y531 R532	L475-A488 VanDerWaalsContact CD1-O 3.27Å; L475-A488 WeakPolarHBondContact CD1-O 3.05Å; L483-A488 HydrophobicContact CB-CB 4.41Å; L483-A488 HydrophobicContact CD1-CB 4.31Å; A488-Y531 WeakPolarHBondContact O-CA 3.39Å; A488-Y531 WeakPolarHBondContact O-CD2 3.47Å; A488-R532 PolarHBondContact N-O 2.9Å; A488-R532 VanDerWaalsContact N-O 3.17Å; A488-R532 PolarHBondContact O-N 3.19Å
489	S	90.5	Very high	94.3	Very high	78 Å²	78	45.3 Å²	45.3	55%	0.545	27%	0.266	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.1	139.2	175.7	-64.2	0	0	0	0	110	L483 A530 Y531	L483-S489 WeakPolarHBondContact CD1-O 3.23Å; S489-A530 WeakPolarHBondContact CA-O 3.46Å; S489-Y531 WeakPolarHBondContact OG-CD2 3.27Å
490	G	90.3	Very high	95.1	Very high	15 Å²	15	38.7 Å²	38.7	16%	0.155	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-170.2	-174.3	-179.4	0	0	0	0	0	113.1	M476 L492 G529 A530	M476-G490 CarbonylContact O-C 2.79Å; M476-G490 WeakPolarHBondContact O-CA 3.2Å; G490-L492 PolarHBondContact O-N 2.96Å; G490-G529 WeakPolarHBondContact O-CA 3.37Å; G490-A530 PolarHBondContact N-O 2.77Å; G490-A530 PolarHBondContact O-N 3.3Å
491	A	95.3	Very high	95.7	Very high	6 Å²	6	37.1 Å²	37.1	5%	0.05	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-72.3	124.1	174.2	0	0	0	0	0	111	L475 M476 C493 Y520 F525 L544	L475-A491 WeakPolarHBondContact CA-O 3.49Å; M476-A491 HydrophobicContact CB-CB 4.25Å; M476-A491 PolarHBondContact N-O 2.8Å; M476-A491 PolarHBondContact O-N 3.4Å; A491-C493 PolarHBondContact O-N 3.32Å; A491-Y520 HydrophobicContact CB-CE2 3.74Å; A491-Y520 WeakPolarHBondContact CB-OH 3.45Å; A491-F525 HydrophobicContact CB-CE2 3.99Å; A491-L544 HydrophobicContact CB-CD1 3.49Å; A491-L544 VanDerWaalsContact CB-CD1 3.49Å
492	L	97.9	Very high	95.9	Very high	0 Å²	0	31.3 Å²	31.3	0%	0	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-77.8	120.5	-178.8	-177.7	63.3	0	0	0	110.3	W438 I448 P473 L475 G490 T526 D528 A530 Y538 I540	W438-L492 HydrophobicContact CD2-CD2 4.33Å; W438-L492 HydrophobicContact CE3-CD2 4.32Å; W438-L492 HydrophobicContact CH2-CD2 3.58Å; W438-L492 HydrophobicContact CH2-CG 4.44Å; W438-L492 HydrophobicContact CZ2-CD2 3.52Å; W438-L492 HydrophobicContact CZ3-CD2 3.99Å; I448-L492 HydrophobicContact CD1-CD2 4.26Å; P473-L492 HydrophobicContact CB-CD1 3.89Å; L475-L492 HydrophobicContact CD2-CB 4.47Å; L475-L492 HydrophobicContact CD2-CD1 4.06Å; G490-L492 PolarHBondContact O-N 2.96Å; L492-T526 HydrophobicContact CD2-CG2 4.49Å; L492-T526 HydrophobicContact CG-CG2 4.17Å; L492-T526 WeakPolarHBondContact O-CB 3.18Å; L492-T526 VanDerWaalsContact O-CG2 3.3Å; L492-T526 WeakPolarHBondContact O-CG2 3.4Å; L492-T526 PolarHBondContact O-N 2.83Å; L492-T526 PolarHBondContact O-OG1 2.69Å; L492-D528 WeakPolarHBondContact CB-O 3.15Å; L492-D528 PolarHBondContact N-O 3.37Å; L492-A530 HydrophobicContact CB-CB 3.99Å; L492-A530 HydrophobicContact CD1-CB 4.17Å; L492-A530 HydrophobicContact CD2-CB 4.18Å; L492-A530 HydrophobicContact CG-CB 4.35Å; L492-Y538 HydrophobicContact CD1-CD1 4.29Å; L492-Y538 HydrophobicContact CD1-CE1 4.36Å; L492-I540 HydrophobicContact CD2-CD1 3.69Å
493	C	98.2	Very high	96	Very high	0 Å²	0	28.4 Å²	28.4	0%	0	18%	0.177	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.1	162.4	176.1	-60.3	0	0	0	0	110.6	P473 A474 M476 A491 Y520 Y523 F524	P473-C493 CarbonylContact C-O 3.42Å; P473-C493 WeakPolarHBondContact CA-O 3.22Å; A474-C493 HydrophobicContact CB-CB 4.36Å; A474-C493 PolarHBondContact N-O 3.01Å; A474-C493 PolarHBondContact O-N 3.01Å; M476-C493 HydrophobicContact CE-CB 4.47Å; A491-C493 PolarHBondContact O-N 3.32Å; C493-Y520 WeakPolarHBondContact SG-CD2 3.45Å; C493-Y523 HydrophobicContact CB-CD1 4.3Å; C493-Y523 HydrophobicContact CB-CG 4.41Å; C493-F524 CarbonylContact C-O 3.44Å; C493-F524 WeakPolarHBondContact CA-O 3.42Å
494	M	98.1	Very high	96.1	Very high	0 Å²	0	28 Å²	28	0%	0	18%	0.176	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.1	127.5	167.9	-57.5	-60.4	176.1	0	0	109.7	W438 C447 I471 P473 Q496 W498 Y523 F524 T526	W438-M494 HydrophobicContact CH2-CE 3.6Å; W438-M494 HydrophobicContact CZ3-CE 3.3Å; C447-M494 HydrophobicContact CB-CE 4.14Å; I471-M494 HydrophobicContact CG2-CE 3.9Å; I471-M494 HydrophobicContact CG2-SD 3.6Å; I471-M494 VanDerWaalsContact CG2-SD 3.6Å; P473-M494 HydrophobicContact CB-SD 4.28Å; P473-M494 HydrophobicContact CG-SD 4.4Å; M494-Q496 VanDerWaalsContact C-N 3.34Å; M494-W498 HydrophobicContact CB-CE3 4.35Å; M494-W498 HydrophobicContact CB-CH2 4.04Å; M494-W498 HydrophobicContact CB-CZ3 3.47Å; M494-W498 VanDerWaalsContact CB-CZ3 3.47Å; M494-W498 HydrophobicContact CG-CE3 4.49Å; M494-W498 HydrophobicContact CG-CH2 3.72Å; M494-W498 HydrophobicContact CG-CZ3 3.59Å; M494-Y523 WeakPolarHBondContact O-CA 3.49Å; M494-F524 HydrophobicContact CB-CB 4.21Å; M494-F524 HydrophobicContact CG-CD1 4.31Å; M494-F524 PolarHBondContact N-O 3.21Å; M494-F524 PolarHBondContact O-N 2.9Å; M494-T526 HydrophobicContact CE-CG2 4.39Å
495	A	97.4	Very high	96.2	Very high	31 Å²	31	22.4 Å²	22.4	26%	0.256	14%	0.142	S	C	.	.	S	Bend	trans	-86.8	-3.6	-174.8	0	0	0	0	0	113.9	K472 A474 Y523	K472-A495 HydrophobicContact CB-CB 4.41Å; K472-A495 HydrophobicContact CD-CB 3.99Å; K472-A495 HydrophobicContact CG-CB 4.09Å; K472-A495 PolarHBondContact O-N 3.17Å; A474-A495 HydrophobicContact CB-CB 4.34Å; A495-Y523 HydrophobicContact CB-CD1 3.81Å; A495-Y523 HydrophobicContact CB-CE1 3.61Å
496	Q	96.3	Very high	96.3	Very high	25 Å²	25	21.1 Å²	21.1	12%	0.117	13%	0.128	C	C	.	.	S	Bend	trans	-151.2	154.3	177.8	75.1	-176.8	28.5	0	0	110.9	G470 K472 M494 W498	G470-Q496 PolarHBondContact O-NE2 3.21Å; K472-Q496 HydrophobicContact CB-CG 3.82Å; M494-Q496 VanDerWaalsContact C-N 3.34Å; Q496-W498 VanDerWaalsContact O-CE3 3.31Å
497	P	97.4	Very high	96.3	Very high	19 Å²	19	23.4 Å²	23.4	12%	0.123	14%	0.14	C	C	.	.			trans	-69.2	158	173.2	32.1	-38.5	0	0	0	111.6	C88 L90 I95 W97 M501	C88-P497 HydrophobicContact CB-CB 3.88Å; C88-P497 HydrophobicContact CB-CG 3.48Å; C88-P497 VanDerWaalsContact CB-CG 3.48Å; L90-P497 HydrophobicContact CD2-CB 4.22Å; I95-P497 HydrophobicContact CD1-CB 4.15Å; W97-P497 HydrophobicContact CZ2-CB 4.18Å; W97-P497 HydrophobicContact CZ2-CG 4.29Å; P497-M501 HydrophobicContact CB-SD 3.73Å
498	W	98.4	Very high	96.3	Very high	0 Å²	0	21.9 Å²	21.9	0%	0	13%	0.132	C	C	.	.			trans	-139.5	157.8	171.4	62.8	100.1	0	0	0	110	W97 Y309 T443 I471 M494 Q496 G500 M501 F524	W97-W498 PolarHBondContact NE1-O 3.41Å; Y309-W498 AromaticContact CE1-CD1 3.94Å; Y309-W498 AromaticContact CE2-CD1 3.99Å; Y309-W498 AromaticContact CZ-CD1 3.84Å; T443-W498 HydrophobicContact CG2-CZ2 3.84Å; T443-W498 PolarHBondContact O-NE1 2.96Å; I471-W498 HydrophobicContact CD1-CB 3.87Å; I471-W498 HydrophobicContact CD1-CD2 3.59Å; I471-W498 HydrophobicContact CD1-CE3 4.06Å; I471-W498 HydrophobicContact CD1-CG 3.48Å; I471-W498 VanDerWaalsContact CD1-CG 3.48Å; M494-W498 HydrophobicContact CB-CE3 4.35Å; M494-W498 HydrophobicContact CB-CH2 4.04Å; M494-W498 HydrophobicContact CB-CZ3 3.47Å; M494-W498 VanDerWaalsContact CB-CZ3 3.47Å; M494-W498 HydrophobicContact CG-CE3 4.49Å; M494-W498 HydrophobicContact CG-CH2 3.72Å; M494-W498 HydrophobicContact CG-CZ3 3.59Å; Q496-W498 VanDerWaalsContact O-CE3 3.31Å; W498-G500 VanDerWaalsContact C-N 3.3Å; W498-G500 PolarHBondContact O-N 2.76Å; W498-M501 HydrophobicContact CD2-CB 4.04Å; W498-M501 HydrophobicContact CE3-SD 4.41Å; W498-M501 HydrophobicContact CH2-CB 4.2Å; W498-M501 HydrophobicContact CZ2-CB 3.67Å; W498-M501 VanDerWaalsContact O-CG 3.27Å; W498-M501 WeakPolarHBondContact O-CG 3.3Å; W498-M501 PolarHBondContact O-N 3.48Å; W498-F524 AromaticContact CH2-CD1 3.81Å; W498-F524 HydrophobicContact CH2-CD1 3.81Å; W498-F524 HydrophobicContact CH2-CE1 4.21Å; W498-F524 HydrophobicContact CH2-CG 4.12Å
499	P	98.6	Very high	96.4	Very high	0 Å²	0	25 Å²	25	0%	0	14%	0.144	C	C	.	.	T	Hydrogen-bonded Turn	trans	-58.7	-36.2	-170.6	-27.2	33.7	0	0	0	115.3	W68 W97 F98 G305 M501 R503	W68-P499 HydrophobicContact CD2-CG 3.49Å; W68-P499 VanDerWaalsContact CD2-CG 3.49Å; W68-P499 VanDerWaalsContact CE2-CD 3.45Å; W68-P499 HydrophobicContact CE3-CG 3.65Å; W68-P499 HydrophobicContact CG-CG 3.99Å; W68-P499 HydrophobicContact CH2-CG 4.1Å; W68-P499 HydrophobicContact CZ2-CG 3.96Å; W68-P499 HydrophobicContact CZ3-CG 3.93Å; W97-P499 HydrophobicContact CD2-CB 4.11Å; W97-P499 HydrophobicContact CD2-CG 3.9Å; W97-P499 HydrophobicContact CE3-CB 4.38Å; W97-P499 HydrophobicContact CE3-CG 3.78Å; W97-P499 HydrophobicContact CG-CB 4.27Å; W97-P499 HydrophobicContact CH2-CG 4.19Å; W97-P499 HydrophobicContact CZ2-CG 4.31Å; W97-P499 HydrophobicContact CZ3-CG 3.93Å; F98-P499 HydrophobicContact CE2-CB 4.16Å; F98-P499 HydrophobicContact CE2-CG 4.49Å; F98-P499 HydrophobicContact CZ-CB 4.46Å; F98-P499 HydrophobicContact CZ-CG 4.31Å; G305-P499 CarbonylContact C-O 3.53Å; G305-P499 VanDerWaalsContact C-O 3.22Å; G305-P499 WeakPolarHBondContact CA-O 3.5Å; G305-P499 CarbonylContact O-C 3.55Å; P499-M501 PolarHBondContact O-N 2.93Å; P499-R503 PolarHBondContact O-NH1 3.32Å; P499-R503 PolarHBondContact O-NH2 3.02Å
500	G	98.4	Very high	96.6	Very high	0 Å²	0	25.8 Å²	25.8	0%	0	14%	0.139	C	C	.	.	T	Hydrogen-bonded Turn	trans	-80.1	-5.8	-173.8	0	0	0	0	0	116	H301 T443 G444 W498	H301-G500 PolarHBondContact CE1-O 2.92Å; H301-G500 PolarHBondContact ND1-O 3.39Å; T443-G500 CarbonylContact C-O 3.59Å; T443-G500 CarbonylContact O-C 3.22Å; T443-G500 VanDerWaalsContact O-C 3.31Å; G444-G500 VanDerWaalsContact CA-O 3.31Å; G444-G500 WeakPolarHBondContact CA-O 3.31Å; G444-G500 PolarHBondContact N-O 3.4Å; W498-G500 VanDerWaalsContact C-N 3.3Å; W498-G500 PolarHBondContact O-N 2.76Å
501	M	98.3	Very high	96.7	Very high	0 Å²	0	26.5 Å²	26.5	0%	0	14%	0.137	C	C	.	.	S	Bend	trans	-67.4	149.1	-175.5	71.1	-172.1	-71.1	0	0	112.9	L90 I95 E442 P497 W498 P499 R503 F517 F524	L90-M501 HydrophobicContact CD2-CE 4.23Å; I95-M501 HydrophobicContact CB-SD 4.3Å; I95-M501 HydrophobicContact CD1-CE 3.67Å; I95-M501 HydrophobicContact CD1-SD 3.8Å; I95-M501 HydrophobicContact CG1-CE 3.65Å; I95-M501 HydrophobicContact CG1-SD 3.92Å; I95-M501 HydrophobicContact CG2-CE 4.3Å; I95-M501 HydrophobicContact CG2-CG 3.63Å; I95-M501 HydrophobicContact CG2-SD 3.46Å; I95-M501 WeakPolarHBondContact CG2-SD 3.36Å; E442-M501 CarbonylContact O-C 3.55Å; E442-M501 WeakPolarHBondContact O-CA 3.35Å; P497-M501 HydrophobicContact CB-SD 3.73Å; W498-M501 HydrophobicContact CD2-CB 4.04Å; W498-M501 HydrophobicContact CE3-SD 4.41Å; W498-M501 HydrophobicContact CH2-CB 4.2Å; W498-M501 HydrophobicContact CZ2-CB 3.67Å; W498-M501 VanDerWaalsContact O-CG 3.27Å; W498-M501 WeakPolarHBondContact O-CG 3.3Å; W498-M501 PolarHBondContact O-N 3.48Å; P499-M501 PolarHBondContact O-N 2.93Å; M501-R503 PolarHBondContact O-NH1 3.48Å; M501-F517 HydrophobicContact CE-CE1 4.46Å; M501-F517 HydrophobicContact CE-CZ 4.14Å; M501-F524 HydrophobicContact CE-CD2 4.34Å
502	A	98.1	Very high	96.6	Very high	1 Å²	1	26.2 Å²	26.2	1%	0.008	14%	0.135	C	C	.	.			trans	-60.7	147.3	173.8	0	0	0	0	0	110.7	L299 V300 H301 E442 F512	L299-A502 HydrophobicContact CD1-CB 3.94Å; V300-A502 CarbonylContact O-C 3.52Å; V300-A502 WeakPolarHBondContact O-CA 3.39Å; H301-A502 PolarHBondContact CE1-N 2.89Å; E442-A502 PolarHBondContact O-N 3.41Å; A502-F512 HydrophobicContact CB-CE2 4.37Å; A502-F512 WeakPolarHBondContact O-CZ 3.32Å
503	R	98.2	Very high	96.5	Very high	20 Å²	20	27.7 Å²	27.7	8%	0.075	14%	0.143	C	C	.	.			trans	-90.9	-31.6	-178.3	-59.1	-49.9	-166.4	-111.3	-0.7	113.1	I95 E281 V300 T302 P499 M501 F512	I95-R503 WeakPolarHBondContact O-CD 3.31Å; I95-R503 PolarHBondContact O-NE 3.49Å; E281-R503 IonicContact OE1-CZ 3.38Å; E281-R503 IonicContact OE1-NE 2.8Å; E281-R503 PolarHBondContact OE1-NE 2.63Å; E281-R503 IonicContact OE1-NH2 2.9Å; E281-R503 PolarHBondContact OE1-NH2 3.36Å; E281-R503 IonicContact OE2-CZ 3.57Å; E281-R503 IonicContact OE2-NE 3.28Å; E281-R503 PolarHBondContact OE2-NE 2.84Å; E281-R503 IonicContact OE2-NH2 3.96Å; E281-R503 PolarHBondContact OE2-NH2 3.27Å; V300-R503 PolarHBondContact O-N 3.19Å; T302-R503 HydrophobicContact CG2-CB 4.45Å; T302-R503 HydrophobicContact CG2-CG 3.57Å; T302-R503 PolarHBondContact OG1-NE 3.46Å; T302-R503 PolarHBondContact OG1-NH2 2.85Å; P499-R503 PolarHBondContact O-NH1 3.32Å; P499-R503 PolarHBondContact O-NH2 3.02Å; M501-R503 PolarHBondContact O-NH1 3.48Å; R503-F512 VanDerWaalsContact O-CE1 3.28Å; R503-F512 WeakPolarHBondContact O-CE1 3.43Å
504	T	98.1	Very high	96.3	Very high	27 Å²	27	32 Å²	32	17%	0.166	16%	0.163	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-168.4	177.5	-178.7	-164.6	0	0	0	0	111.9	V300 H509	V300-T504 HydrophobicContact CB-CG2 3.8Å; V300-T504 HydrophobicContact CG1-CG2 4.34Å; V300-T504 HydrophobicContact CG2-CG2 3.57Å; V300-T504 PolarHBondContact N-O 3.43Å; T504-H509 VanDerWaalsContact OG1-CA 3.3Å; T504-H509 WeakPolarHBondContact OG1-CA 3.21Å; T504-H509 WeakPolarHBondContact OG1-CB 3.2Å; T504-H509 PolarHBondContact OG1-ND1 2.89Å
505	I	96.1	Very high	95.9	Very high	3 Å²	3	34.2 Å²	34.2	2%	0.015	18%	0.176	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.3	126.1	158.4	-64	170.2	0	0	0	106.8	K297 G298 L299 N507 N508 R511 F512 Y516	K297-I505 HydrophobicContact CB-CD1 4.23Å; K297-I505 HydrophobicContact CB-CG1 4.39Å; K297-I505 HydrophobicContact CB-CG2 4.24Å; K297-I505 HydrophobicContact CD-CD1 3.85Å; K297-I505 HydrophobicContact CG-CD1 4.07Å; G298-I505 WeakPolarHBondContact O-CA 3.36Å; L299-I505 HydrophobicContact CD1-CG1 4.13Å; I505-N507 PolarHBondContact O-N 2.93Å; I505-N508 HydrophobicContact CG2-CB 4.16Å; I505-N508 CarbonylContact O-C 3.24Å; I505-N508 VanDerWaalsContact O-C 3.25Å; I505-N508 PolarHBondContact O-N 2.92Å; I505-R511 HydrophobicContact CD1-CB 4.14Å; I505-R511 HydrophobicContact CD1-CG 3.87Å; I505-F512 HydrophobicContact CB-CB 4.35Å; I505-F512 HydrophobicContact CD1-CB 4.22Å; I505-F512 HydrophobicContact CG1-CB 4.02Å; I505-F512 HydrophobicContact CG1-CD2 4.12Å; I505-Y516 HydrophobicContact CD1-CE2 4.2Å
506	H	96.1	Very high	95.8	Very high	43 Å²	43	33.1 Å²	33.1	20%	0.199	17%	0.166	C	C	.	.	T	Hydrogen-bonded Turn	trans	-51.3	133.8	179.8	-172.6	64.3	0	0	0	111.1	D205 L286 G298 V300 N508	D205-H506 PolarHBondContact O-CD2 2.86Å; D205-H506 VanDerWaalsContact O-CD2 3.32Å; D205-H506 PolarHBondContact O-NE2 2.66Å; D205-H506 IonicContact OD2-CD2 2.7Å; L286-H506 HydrophobicContact CD1-CB 4.34Å; L286-H506 HydrophobicContact CD2-CB 3.94Å; G298-H506 WeakPolarHBondContact O-CB 3.28Å; G298-H506 PolarHBondContact O-N 2.83Å; V300-H506 HydrophobicContact CG2-CB 3.99Å; H506-N508 PolarHBondContact O-N 3.46Å
507	N	93.6	Very high	95.7	Very high	111 Å²	111	32.2 Å²	32.2	59%	0.594	16%	0.161	S	C	*	.	T	Hydrogen-bonded Turn	trans	54.3	13.5	-175.9	-59.6	-31.2	0	0	0	115.6	D205 I505	D205-N507 PolarHBondContact O-ND2 2.78Å; I505-N507 PolarHBondContact O-N 2.93Å
508	N	94.1	Very high	95.6	Very high	68 Å²	68	36.2 Å²	36.2	36%	0.364	18%	0.178	S	C	.	.			trans	-157.1	63	-176.9	-159.4	-19.9	0	0	0	113.6	I505 H506 Q510 R511 F512	I505-N508 HydrophobicContact CG2-CB 4.16Å; I505-N508 CarbonylContact O-C 3.24Å; I505-N508 VanDerWaalsContact O-C 3.25Å; I505-N508 PolarHBondContact O-N 2.92Å; H506-N508 PolarHBondContact O-N 3.46Å; N508-Q510 PolarHBondContact O-N 2.86Å; N508-R511 HydrophobicContact CB-CB 4.23Å; N508-R511 PolarHBondContact O-N 3.05Å; N508-R511 WeakPolarHBondContact OD1-CB 3.24Å; N508-R511 PolarHBondContact OD1-N 2.88Å; N508-F512 PolarHBondContact O-N 3.28Å
509	H	95.4	Very high	95.3	Very high	77 Å²	77	38.9 Å²	38.9	36%	0.356	20%	0.196	S	C	.	.	H	α-helix	trans	-61.3	-31.4	176.2	-170.3	87.5	0	0	0	112.7	G93 T504 R511 F512 L513	G93-H509 PolarHBondContact O-CE1 3.48Å; T504-H509 VanDerWaalsContact OG1-CA 3.3Å; T504-H509 WeakPolarHBondContact OG1-CA 3.21Å; T504-H509 WeakPolarHBondContact OG1-CB 3.2Å; T504-H509 PolarHBondContact OG1-ND1 2.89Å; H509-R511 PolarHBondContact O-N 3.1Å; H509-F512 AromaticContact CE1-CD1 3.99Å; H509-F512 WeakPolarHBondContact O-CA 3.15Å; H509-F512 VanDerWaalsContact O-CB 3.23Å; H509-F512 WeakPolarHBondContact O-CB 3.32Å; H509-F512 PolarHBondContact O-N 3.44Å; H509-L513 PolarHBondContact O-N 2.81Å
510	Q	94.8	Very high	95.1	Very high	96 Å²	96	40.8 Å²	40.8	45%	0.449	20%	0.203	S	C	.	.	H	α-helix	trans	-60.7	-44.8	177	-177.9	57.7	30.1	0	0	112	N508 F512 L513 E514	N508-Q510 PolarHBondContact O-N 2.86Å; Q510-F512 PolarHBondContact O-N 3.34Å; Q510-L513 WeakPolarHBondContact O-CB 3.4Å; Q510-L513 PolarHBondContact O-N 2.93Å; Q510-L513 VanDerWaalsContact O-N 3.14Å; Q510-E514 VanDerWaalsContact CG-OE1 3.28Å; Q510-E514 WeakPolarHBondContact CG-OE1 3.44Å; Q510-E514 PolarHBondContact NE2-OE1 3.1Å; Q510-E514 WeakPolarHBondContact O-CG 3.49Å; Q510-E514 PolarHBondContact O-N 2.76Å
511	R	91	Very high	94.8	Very high	30 Å²	30	45.6 Å²	45.6	11%	0.113	24%	0.235	C	C	.	.	H	α-helix	trans	-62.1	-30.6	174	-174	179.3	-176.4	-165.8	1.8	112.1	T293 K295 P296 I505 N508 H509 T515	T293-R511 PolarHBondContact OG1-NH2 3.46Å; K295-R511 PolarHBondContact O-NH1 3.38Å; K295-R511 PolarHBondContact O-NH2 3.29Å; P296-R511 PolarHBondContact O-NH1 3.34Å; I505-R511 HydrophobicContact CD1-CB 4.14Å; I505-R511 HydrophobicContact CD1-CG 3.87Å; N508-R511 HydrophobicContact CB-CB 4.23Å; N508-R511 PolarHBondContact O-N 3.05Å; N508-R511 WeakPolarHBondContact OD1-CB 3.24Å; N508-R511 PolarHBondContact OD1-N 2.88Å; H509-R511 PolarHBondContact O-N 3.1Å; R511-T515 WeakPolarHBondContact O-CB 3.48Å; R511-T515 PolarHBondContact O-N 3.01Å; R511-T515 PolarHBondContact O-OG1 3.06Å
512	F	93.8	Very high	94.6	Very high	0 Å²	0	47.1 Å²	47.1	0%	0	25%	0.25	C	C	.	.	H	α-helix	trans	-65	-46.5	174.6	-176.8	-114.3	0	0	0	110.7	A502 R503 I505 N508 H509 Q510 T515 Y516 F517	A502-F512 HydrophobicContact CB-CE2 4.37Å; A502-F512 WeakPolarHBondContact O-CZ 3.32Å; R503-F512 VanDerWaalsContact O-CE1 3.28Å; R503-F512 WeakPolarHBondContact O-CE1 3.43Å; I505-F512 HydrophobicContact CB-CB 4.35Å; I505-F512 HydrophobicContact CD1-CB 4.22Å; I505-F512 HydrophobicContact CG1-CB 4.02Å; I505-F512 HydrophobicContact CG1-CD2 4.12Å; N508-F512 PolarHBondContact O-N 3.28Å; H509-F512 AromaticContact CE1-CD1 3.99Å; H509-F512 WeakPolarHBondContact O-CA 3.15Å; H509-F512 VanDerWaalsContact O-CB 3.23Å; H509-F512 WeakPolarHBondContact O-CB 3.32Å; H509-F512 PolarHBondContact O-N 3.44Å; Q510-F512 PolarHBondContact O-N 3.34Å; F512-T515 PolarHBondContact O-N 2.73Å; F512-Y516 AromaticContact CD2-CD2 3.32Å; F512-Y516 HydrophobicContact CD2-CD2 3.32Å; F512-Y516 AromaticContact CD2-CE2 3.55Å; F512-Y516 HydrophobicContact CD2-CE2 3.55Å; F512-Y516 HydrophobicContact CD2-CG 4.47Å; F512-Y516 AromaticContact CE2-CD2 3.62Å; F512-Y516 HydrophobicContact CE2-CD2 3.62Å; F512-Y516 AromaticContact CE2-CE2 3.97Å; F512-Y516 HydrophobicContact CE2-CE2 3.97Å; F512-Y516 HydrophobicContact CE2-CG 4.46Å; F512-Y516 HydrophobicContact CG-CD2 4.11Å; F512-Y516 VanDerWaalsContact O-CD2 3.22Å; F512-Y516 WeakPolarHBondContact O-CD2 3.09Å; F512-Y516 PolarHBondContact O-N 3.19Å; F512-F517 HydrophobicContact CD1-CD2 4.42Å; F512-F517 AromaticContact CD1-CE2 3.67Å; F512-F517 HydrophobicContact CD1-CE2 3.67Å; F512-F517 HydrophobicContact CE1-CD2 4.4Å; F512-F517 AromaticContact CE1-CE2 3.29Å; F512-F517 HydrophobicContact CE1-CE2 3.29Å; F512-F517 AromaticContact CE1-CZ 3.75Å; F512-F517 HydrophobicContact CE1-CZ 3.75Å; F512-F517 HydrophobicContact CE2-CE2 4.26Å; F512-F517 HydrophobicContact CG-CE2 4.33Å; F512-F517 AromaticContact CZ-CE2 3.6Å; F512-F517 HydrophobicContact CZ-CE2 3.6Å; F512-F517 AromaticContact CZ-CZ 3.91Å; F512-F517 HydrophobicContact CZ-CZ 3.91Å
513	L	95.7	Very high	94.6	Very high	30 Å²	30	49.9 Å²	49.9	16%	0.157	26%	0.261	C	S	.	.	H	α-helix	trans	-60	-51.2	174.5	-60.1	-178.9	0	0	0	112.1	Q92 H509 Q510 T515 Y516 F517 Q518	Q92-L513 WeakPolarHBondContact O-CD2 3.27Å; H509-L513 PolarHBondContact O-N 2.81Å; Q510-L513 WeakPolarHBondContact O-CB 3.4Å; Q510-L513 PolarHBondContact O-N 2.93Å; Q510-L513 VanDerWaalsContact O-N 3.14Å; L513-T515 VanDerWaalsContact C-N 3.29Å; L513-T515 PolarHBondContact O-N 3.48Å; L513-Y516 PolarHBondContact O-N 2.68Å; L513-F517 HydrophobicContact CD2-CD2 4.13Å; L513-F517 PolarHBondContact O-N 2.84Å; L513-Q518 PolarHBondContact O-N 3.43Å
514	E	93.7	Very high	94.5	Very high	91 Å²	91	49 Å²	49	43%	0.425	26%	0.257	S	S	.	.	H	α-helix	trans	-58.4	-40	179.7	-71.8	166.1	-178.1	0	0	112.7	Q510 P519	Q510-E514 VanDerWaalsContact CG-OE1 3.28Å; Q510-E514 WeakPolarHBondContact CG-OE1 3.44Å; Q510-E514 PolarHBondContact NE2-OE1 3.1Å; Q510-E514 WeakPolarHBondContact O-CG 3.49Å; Q510-E514 PolarHBondContact O-N 2.76Å; E514-P519 WeakPolarHBondContact O-CD 3.46Å
515	T	90.1	Very high	94.5	Very high	47 Å²	47	49.2 Å²	49.2	29%	0.288	26%	0.256	S	S	.	.	H	α-helix	trans	-77.8	-42.3	-175.9	-55.8	0	0	0	0	111.9	R511 F512 L513	R511-T515 WeakPolarHBondContact O-CB 3.48Å; R511-T515 PolarHBondContact O-N 3.01Å; R511-T515 PolarHBondContact O-OG1 3.06Å; F512-T515 PolarHBondContact O-N 2.73Å; L513-T515 VanDerWaalsContact C-N 3.29Å; L513-T515 PolarHBondContact O-N 3.48Å
516	Y	94.9	Very high	94.5	Very high	7 Å²	7	49.3 Å²	49.3	3%	0.027	26%	0.256	C	S	.	.	H	α-helix	trans	-115.7	-15.8	-164.4	-53.9	-73.3	0	0	0	115	K297 E442 I505 F512 L513 F524 F525	K297-Y516 PolarHBondContact NZ-OH 2.84Å; E442-Y516 HydrophobicContact CB-CE1 4.47Å; E442-Y516 HydrophobicContact CG-CE1 3.63Å; E442-Y516 HydrophobicContact CG-CE2 4.33Å; E442-Y516 WeakPolarHBondContact CG-OH 3.44Å; E442-Y516 WeakPolarHBondContact OE1-CE1 3.32Å; E442-Y516 PolarHBondContact OE1-OH 3.39Å; I505-Y516 HydrophobicContact CD1-CE2 4.2Å; F512-Y516 AromaticContact CD2-CD2 3.32Å; F512-Y516 HydrophobicContact CD2-CD2 3.32Å; F512-Y516 AromaticContact CD2-CE2 3.55Å; F512-Y516 HydrophobicContact CD2-CE2 3.55Å; F512-Y516 HydrophobicContact CD2-CG 4.47Å; F512-Y516 AromaticContact CE2-CD2 3.62Å; F512-Y516 HydrophobicContact CE2-CD2 3.62Å; F512-Y516 AromaticContact CE2-CE2 3.97Å; F512-Y516 HydrophobicContact CE2-CE2 3.97Å; F512-Y516 HydrophobicContact CE2-CG 4.46Å; F512-Y516 HydrophobicContact CG-CD2 4.11Å; F512-Y516 VanDerWaalsContact O-CD2 3.22Å; F512-Y516 WeakPolarHBondContact O-CD2 3.09Å; F512-Y516 PolarHBondContact O-N 3.19Å; L513-Y516 PolarHBondContact O-N 2.68Å; Y516-F524 AromaticContact CD1-CE2 3.78Å; Y516-F524 HydrophobicContact CD1-CE2 3.78Å; Y516-F524 AromaticContact CD1-CZ 3.75Å; Y516-F524 HydrophobicContact CD1-CZ 3.75Å; Y516-F524 HydrophobicContact CE1-CZ 4.38Å; Y516-F524 HydrophobicContact CG-CD2 4.43Å; Y516-F524 AromaticContact CG-CE2 3.71Å; Y516-F524 HydrophobicContact CG-CE2 3.71Å; Y516-F524 HydrophobicContact CG-CZ 4.18Å; Y516-F524 CarbonylContact O-C 3.58Å; Y516-F524 WeakPolarHBondContact O-CA 3.41Å; Y516-F525 PolarHBondContact O-N 2.96Å
517	F	95.8	Very high	94.3	Very high	6 Å²	6	47.5 Å²	47.5	3%	0.026	25%	0.249	C	C	.	.	T	Hydrogen-bonded Turn	trans	-125.6	-33.8	-173	-58.4	-88.1	0	0	0	113.4	L90 M501 F512 L513 P519 Y520 P521 F524	L90-F517 HydrophobicContact CB-CD1 4.24Å; L90-F517 HydrophobicContact CB-CE1 4.3Å; L90-F517 HydrophobicContact CD2-CD1 4.47Å; L90-F517 HydrophobicContact CD2-CE1 3.74Å; L90-F517 WeakPolarHBondContact O-CD1 3.16Å; M501-F517 HydrophobicContact CE-CE1 4.46Å; M501-F517 HydrophobicContact CE-CZ 4.14Å; F512-F517 HydrophobicContact CD1-CD2 4.42Å; F512-F517 AromaticContact CD1-CE2 3.67Å; F512-F517 HydrophobicContact CD1-CE2 3.67Å; F512-F517 HydrophobicContact CE1-CD2 4.4Å; F512-F517 AromaticContact CE1-CE2 3.29Å; F512-F517 HydrophobicContact CE1-CE2 3.29Å; F512-F517 AromaticContact CE1-CZ 3.75Å; F512-F517 HydrophobicContact CE1-CZ 3.75Å; F512-F517 HydrophobicContact CE2-CE2 4.26Å; F512-F517 HydrophobicContact CG-CE2 4.33Å; F512-F517 AromaticContact CZ-CE2 3.6Å; F512-F517 HydrophobicContact CZ-CE2 3.6Å; F512-F517 AromaticContact CZ-CZ 3.91Å; F512-F517 HydrophobicContact CZ-CZ 3.91Å; L513-F517 HydrophobicContact CD2-CD2 4.13Å; L513-F517 PolarHBondContact O-N 2.84Å; F517-P519 VanDerWaalsContact C-CD 3.49Å; F517-Y520 CarbonylContact O-C 3.58Å; F517-Y520 VanDerWaalsContact O-C 3.27Å; F517-P521 WeakPolarHBondContact O-CA 3.3Å; F517-F524 HydrophobicContact CE1-CB 4.28Å; F517-F524 HydrophobicContact CE1-CD2 4.09Å; F517-F524 HydrophobicContact CE2-CD2 4.32Å; F517-F524 AromaticContact CZ-CD2 3.84Å; F517-F524 HydrophobicContact CZ-CD2 3.84Å
518	Q	94.3	Very high	94.1	Very high	103 Å²	103	42.8 Å²	42.8	48%	0.481	22%	0.224	S	C	.	.	S	Bend	trans	-66.8	-33.9	176.9	-70.4	-177.4	5.5	0	0	114.8	L513 Y520	L513-Q518 PolarHBondContact O-N 3.43Å; Q518-Y520 PolarHBondContact O-N 2.92Å
519	P	91.9	Very high	93.9	Very high	56 Å²	56	39.7 Å²	39.7	36%	0.364	21%	0.208	S	C	.	.	S	Bend	trans	-59.4	-36.5	179.6	-28.6	38.6	0	0	0	113	E514 F517 F525	E514-P519 WeakPolarHBondContact O-CD 3.46Å; F517-P519 VanDerWaalsContact C-CD 3.49Å; P519-F525 HydrophobicContact CB-CB 4.27Å; P519-F525 HydrophobicContact CB-CD1 3.77Å; P519-F525 HydrophobicContact CB-CE1 4.37Å; P519-F525 HydrophobicContact CB-CG 4.15Å; P519-F525 HydrophobicContact CG-CB 4.48Å; P519-F525 HydrophobicContact CG-CD1 3.82Å; P519-F525 HydrophobicContact CG-CG 4.49Å
520	Y	94.1	Very high	93.8	Very high	41 Å²	41	36 Å²	36	16%	0.161	19%	0.191	C	C	.	.	S	Bend	trans	-139	87.5	176.8	-60.8	-69.2	0	0	0	109.5	M476 A491 C493 F517 Q518 G522 Y523 F525	M476-Y520 HydrophobicContact CB-CD1 3.91Å; M476-Y520 HydrophobicContact CB-CE1 3.6Å; M476-Y520 HydrophobicContact CB-CE2 4.45Å; M476-Y520 HydrophobicContact CB-CG 4.47Å; M476-Y520 HydrophobicContact CG-CD1 3.72Å; M476-Y520 HydrophobicContact CG-CD2 4.36Å; M476-Y520 HydrophobicContact CG-CE1 3.95Å; M476-Y520 HydrophobicContact CG-CG 3.94Å; A491-Y520 HydrophobicContact CB-CE2 3.74Å; A491-Y520 WeakPolarHBondContact CB-OH 3.45Å; C493-Y520 WeakPolarHBondContact SG-CD2 3.45Å; F517-Y520 CarbonylContact O-C 3.58Å; F517-Y520 VanDerWaalsContact O-C 3.27Å; Q518-Y520 PolarHBondContact O-N 2.92Å; Y520-G522 PolarHBondContact O-N 2.81Å; Y520-Y523 WeakPolarHBondContact O-CB 2.96Å; Y520-Y523 PolarHBondContact O-N 2.98Å; Y520-F525 HydrophobicContact CD2-CB 4Å; Y520-F525 AromaticContact CD2-CD2 3.66Å; Y520-F525 HydrophobicContact CD2-CD2 3.66Å; Y520-F525 HydrophobicContact CD2-CE2 4.32Å; Y520-F525 AromaticContact CD2-CG 3.86Å; Y520-F525 HydrophobicContact CD2-CG 3.86Å; Y520-F525 AromaticContact CE2-CD2 3.55Å; Y520-F525 HydrophobicContact CE2-CD2 3.55Å; Y520-F525 AromaticContact CE2-CE2 3.73Å; Y520-F525 HydrophobicContact CE2-CE2 3.73Å; Y520-F525 HydrophobicContact CE2-CG 4.05Å; Y520-F525 HydrophobicContact CE2-CZ 4.31Å
521	P	93.3	Very high	93.7	Very high	101 Å²	101	34.1 Å²	34.1	66%	0.656	18%	0.18	S	C	*	.	T	Hydrogen-bonded Turn	trans	-54.2	133.1	-174.7	-28.6	36.4	0	0	0	113.3	F517 Y523	F517-P521 WeakPolarHBondContact O-CA 3.3Å; P521-Y523 VanDerWaalsContact C-N 3.31Å; P521-Y523 WeakPolarHBondContact O-CD2 3.41Å
522	G	93.8	Very high	94	Very high	31 Å²	31	34 Å²	34	32%	0.32	18%	0.18	S	C	.	.	T	Hydrogen-bonded Turn	trans	85.1	0.1	-175.3	0	0	0	0	0	114.5	L90 Y520	L90-G522 WeakPolarHBondContact CD1-O 3.18Å; Y520-G522 PolarHBondContact O-N 2.81Å
523	Y	97.3	Very high	94.1	Very high	60 Å²	60	34.3 Å²	34.3	24%	0.235	18%	0.182	C	C	.	.	S	Bend	trans	-128.6	152.9	176.7	-60.4	-99.4	0	0	0	110.8	A474 M476 C493 M494 A495 Y520 P521	A474-Y523 HydrophobicContact CB-CD1 3.98Å; A474-Y523 HydrophobicContact CB-CE1 3.85Å; M476-Y523 HydrophobicContact CE-CD1 3.43Å; M476-Y523 VanDerWaalsContact CE-CD1 3.43Å; M476-Y523 HydrophobicContact CE-CD2 3.35Å; M476-Y523 HydrophobicContact CE-CE1 3.44Å; M476-Y523 VanDerWaalsContact CE-CE1 3.44Å; M476-Y523 HydrophobicContact CE-CE2 3.37Å; M476-Y523 HydrophobicContact CE-CG 3.41Å; M476-Y523 VanDerWaalsContact CE-CG 3.41Å; M476-Y523 VanDerWaalsContact CE-CZ 3.42Å; C493-Y523 HydrophobicContact CB-CD1 4.3Å; C493-Y523 HydrophobicContact CB-CG 4.41Å; M494-Y523 WeakPolarHBondContact O-CA 3.49Å; A495-Y523 HydrophobicContact CB-CD1 3.81Å; A495-Y523 HydrophobicContact CB-CE1 3.61Å; Y520-Y523 WeakPolarHBondContact O-CB 2.96Å; Y520-Y523 PolarHBondContact O-N 2.98Å; P521-Y523 VanDerWaalsContact C-N 3.31Å; P521-Y523 WeakPolarHBondContact O-CD2 3.41Å
524	F	97.8	Very high	94.1	Very high	1 Å²	1	38.9 Å²	38.9	0%	0.004	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.9	112.2	165.8	174.6	-87.6	0	0	0	109.1	E442 C493 M494 W498 M501 Y516 F517 T526	E442-F524 HydrophobicContact CB-CE2 4.45Å; E442-F524 HydrophobicContact CB-CZ 3.78Å; C493-F524 CarbonylContact C-O 3.44Å; C493-F524 WeakPolarHBondContact CA-O 3.42Å; M494-F524 HydrophobicContact CB-CB 4.21Å; M494-F524 HydrophobicContact CG-CD1 4.31Å; M494-F524 PolarHBondContact N-O 3.21Å; M494-F524 PolarHBondContact O-N 2.9Å; W498-F524 AromaticContact CH2-CD1 3.81Å; W498-F524 HydrophobicContact CH2-CD1 3.81Å; W498-F524 HydrophobicContact CH2-CE1 4.21Å; W498-F524 HydrophobicContact CH2-CG 4.12Å; M501-F524 HydrophobicContact CE-CD2 4.34Å; Y516-F524 AromaticContact CD1-CE2 3.78Å; Y516-F524 HydrophobicContact CD1-CE2 3.78Å; Y516-F524 AromaticContact CD1-CZ 3.75Å; Y516-F524 HydrophobicContact CD1-CZ 3.75Å; Y516-F524 HydrophobicContact CE1-CZ 4.38Å; Y516-F524 HydrophobicContact CG-CD2 4.43Å; Y516-F524 AromaticContact CG-CE2 3.71Å; Y516-F524 HydrophobicContact CG-CE2 3.71Å; Y516-F524 HydrophobicContact CG-CZ 4.18Å; Y516-F524 CarbonylContact O-C 3.58Å; Y516-F524 WeakPolarHBondContact O-CA 3.41Å; F517-F524 HydrophobicContact CE1-CB 4.28Å; F517-F524 HydrophobicContact CE1-CD2 4.09Å; F517-F524 HydrophobicContact CE2-CD2 4.32Å; F517-F524 AromaticContact CZ-CD2 3.84Å; F517-F524 HydrophobicContact CZ-CD2 3.84Å; F524-T526 HydrophobicContact CD1-CG2 4.19Å; F524-T526 HydrophobicContact CE1-CG2 4.18Å
525	F	97	Very high	94.1	Very high	32 Å²	32	40.7 Å²	40.7	14%	0.14	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-80.2	125.3	175.5	179.1	-131.9	0	0	0	111.3	A491 Y516 P519 Y520 L544	A491-F525 HydrophobicContact CB-CE2 3.99Å; Y516-F525 PolarHBondContact O-N 2.96Å; P519-F525 HydrophobicContact CB-CB 4.27Å; P519-F525 HydrophobicContact CB-CD1 3.77Å; P519-F525 HydrophobicContact CB-CE1 4.37Å; P519-F525 HydrophobicContact CB-CG 4.15Å; P519-F525 HydrophobicContact CG-CB 4.48Å; P519-F525 HydrophobicContact CG-CD1 3.82Å; P519-F525 HydrophobicContact CG-CG 4.49Å; Y520-F525 HydrophobicContact CD2-CB 4Å; Y520-F525 AromaticContact CD2-CD2 3.66Å; Y520-F525 HydrophobicContact CD2-CD2 3.66Å; Y520-F525 HydrophobicContact CD2-CE2 4.32Å; Y520-F525 AromaticContact CD2-CG 3.86Å; Y520-F525 HydrophobicContact CD2-CG 3.86Å; Y520-F525 AromaticContact CE2-CD2 3.55Å; Y520-F525 HydrophobicContact CE2-CD2 3.55Å; Y520-F525 AromaticContact CE2-CE2 3.73Å; Y520-F525 HydrophobicContact CE2-CE2 3.73Å; Y520-F525 HydrophobicContact CE2-CG 4.05Å; Y520-F525 HydrophobicContact CE2-CZ 4.31Å; F525-L544 HydrophobicContact CE2-CD1 3.6Å; F525-L544 HydrophobicContact CZ-CD1 3.63Å
526	T	95.7	Very high	94.3	Very high	4 Å²	4	39.4 Å²	39.4	3%	0.025	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.1	-20.6	-175.9	68.6	0	0	0	0	112.6	W438 Q440 L492 M494 F524 D528 R543	W438-T526 HydrophobicContact CH2-CG2 3.61Å; W438-T526 HydrophobicContact CZ2-CG2 3.99Å; Q440-T526 PolarHBondContact NE2-O 2.82Å; Q440-T526 PolarHBondContact OE1-O 3.38Å; L492-T526 HydrophobicContact CD2-CG2 4.49Å; L492-T526 HydrophobicContact CG-CG2 4.17Å; L492-T526 WeakPolarHBondContact O-CB 3.18Å; L492-T526 VanDerWaalsContact O-CG2 3.3Å; L492-T526 WeakPolarHBondContact O-CG2 3.4Å; L492-T526 PolarHBondContact O-N 2.83Å; L492-T526 PolarHBondContact O-OG1 2.69Å; M494-T526 HydrophobicContact CE-CG2 4.39Å; F524-T526 HydrophobicContact CD1-CG2 4.19Å; F524-T526 HydrophobicContact CE1-CG2 4.18Å; T526-D528 PolarHBondContact O-N 2.91Å; T526-D528 PolarHBondContact OG1-N 3.02Å; T526-D528 VanDerWaalsContact OG1-N 3.07Å; T526-R543 PolarHBondContact O-NH1 3.32Å; T526-R543 VanDerWaalsContact O-NH1 3.15Å
527	G	91.8	Very high	94.4	Very high	5 Å²	5	41.1 Å²	41.1	5%	0.052	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	79.2	-3.7	-167.6	0	0	0	0	0	114.5	L544	G527-L544 PolarHBondContact O-N 3.23Å
528	D	89.9	Confident	94.4	Very high	13 Å²	13	41.5 Å²	41.5	7%	0.07	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.7	151.8	176.8	-72.3	-46.7	0	0	0	111.7	W438 Q440 L492 T526 I540 G542 R543 L544	W438-D528 HydrophobicContact CZ2-CB 4.39Å; W438-D528 WeakPolarHBondContact CZ2-OD2 3.37Å; W438-D528 PolarHBondContact NE1-OD2 3.36Å; Q440-D528 PolarHBondContact NE2-OD2 2.67Å; L492-D528 WeakPolarHBondContact CB-O 3.15Å; L492-D528 PolarHBondContact N-O 3.37Å; T526-D528 PolarHBondContact O-N 2.91Å; T526-D528 PolarHBondContact OG1-N 3.02Å; T526-D528 VanDerWaalsContact OG1-N 3.07Å; D528-I540 HydrophobicContact CB-CG2 4.33Å; D528-G542 CarbonylContact C-O 3.53Å; D528-G542 WeakPolarHBondContact CA-O 3.32Å; D528-R543 WeakPolarHBondContact OD1-CD 3.41Å; D528-L544 WeakPolarHBondContact O-CD1 3.4Å
529	G	90	Very high	94.4	Very high	2 Å²	2	40.1 Å²	40.1	2%	0.021	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.3	148.6	165.5	0	0	0	0	0	109.9	G490 T541 G542	G490-G529 WeakPolarHBondContact O-CA 3.37Å; G529-T541 PolarHBondContact O-N 3.28Å; G529-T541 PolarHBondContact O-OG1 2.94Å; G529-G542 PolarHBondContact N-O 3.4Å
530	A	93.5	Very high	94.2	Very high	0 Å²	0	38.6 Å²	38.6	0%	0	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-145.4	152.5	173.9	0	0	0	0	0	112	L475 S489 G490 L492 Y538 Q539 I540	L475-A530 HydrophobicContact CD2-CB 3.85Å; S489-A530 WeakPolarHBondContact CA-O 3.46Å; G490-A530 PolarHBondContact N-O 2.77Å; G490-A530 PolarHBondContact O-N 3.3Å; L492-A530 HydrophobicContact CB-CB 3.99Å; L492-A530 HydrophobicContact CD1-CB 4.17Å; L492-A530 HydrophobicContact CD2-CB 4.18Å; L492-A530 HydrophobicContact CG-CB 4.35Å; A530-Y538 HydrophobicContact CB-CD1 4.49Å; A530-Q539 CarbonylContact C-O 3.58Å; A530-Q539 WeakPolarHBondContact CA-O 3.35Å; A530-Q539 VanDerWaalsContact CB-O 3.32Å; A530-Q539 WeakPolarHBondContact CB-O 3.19Å; A530-I540 HydrophobicContact CB-CD1 4.15Å
531	Y	92.1	Very high	93.6	Very high	56 Å²	56	38.8 Å²	38.8	22%	0.22	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.2	132.8	169.1	168.1	-111.2	0	0	0	109.2	N487 A488 S489 Y538 Q539	N487-Y531 VanDerWaalsContact OD1-CE2 3.31Å; N487-Y531 WeakPolarHBondContact OD1-CE2 3.33Å; N487-Y531 PolarHBondContact OD1-OH 3.3Å; A488-Y531 WeakPolarHBondContact O-CA 3.39Å; A488-Y531 WeakPolarHBondContact O-CD2 3.47Å; S489-Y531 WeakPolarHBondContact OG-CD2 3.27Å; Y531-Y538 CarbonylContact O-C 3.57Å; Y531-Y538 WeakPolarHBondContact O-CA 3.48Å; Y531-Q539 HydrophobicContact CD1-CB 4.41Å; Y531-Q539 PolarHBondContact N-O 3.23Å; Y531-Q539 PolarHBondContact O-N 2.82Å
532	R	97.2	Very high	92.6	Very high	27 Å²	27	34.6 Å²	34.6	10%	0.102	18%	0.178	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.3	117.4	169.8	-178	169.3	65.1	-146.8	-7.1	109.3	L475 L483 T484 S485 N486 N487 A488 Y537 Y538	L475-R532 HydrophobicContact CD1-CB 3.66Å; L483-R532 PolarHBondContact O-NH2 2.94Å; T484-R532 PolarHBondContact O-NH2 3.34Å; S485-R532 PolarHBondContact O-NH2 3.39Å; N486-R532 WeakPolarHBondContact OD1-CD 3.42Å; N486-R532 PolarHBondContact OD1-NE 3.16Å; N487-R532 WeakPolarHBondContact CA-O 3.35Å; N487-R532 PolarHBondContact N-O 3.18Å; A488-R532 PolarHBondContact N-O 2.9Å; A488-R532 VanDerWaalsContact N-O 3.17Å; A488-R532 PolarHBondContact O-N 3.19Å; R532-Y537 CarbonylContact C-O 3.59Å; R532-Y537 VanDerWaalsContact CA-O 3.29Å; R532-Y537 WeakPolarHBondContact CA-O 3.45Å; R532-Y538 HydrophobicContact CB-CD1 4.5Å; R532-Y538 HydrophobicContact CB-CE1 4.26Å; R532-Y538 HydrophobicContact CG-CE1 4.5Å; R532-Y538 HydrophobicContact CG-CE2 4.44Å; R532-Y538 PolarHBondContact NH1-OH 2.68Å
533	S	95.9	Very high	91.9	Very high	8 Å²	8	37.2 Å²	37.2	6%	0.056	18%	0.178	C	C	.	.			trans	-68.5	174.9	-179.1	82.3	0	0	0	0	113.1	N486 E535 G536 Y537	N486-S533 VanDerWaalsContact CB-O 3.28Å; N486-S533 WeakPolarHBondContact CB-O 3.27Å; S533-E535 WeakPolarHBondContact CB-OE2 3.41Å; S533-E535 PolarHBondContact O-N 2.82Å; S533-E535 PolarHBondContact OG-N 3.2Å; S533-E535 PolarHBondContact OG-OE2 2.92Å; S533-G536 PolarHBondContact O-N 2.77Å; S533-G536 PolarHBondContact OG-N 3.46Å; S533-Y537 PolarHBondContact N-O 3.08Å; S533-Y537 PolarHBondContact OG-N 2.97Å
534	Q	95.7	Very high	90.9	Very high	125 Å²	125	35.9 Å²	35.9	58%	0.584	18%	0.175	S	C	*	.	T	Hydrogen-bonded Turn	trans	-58.6	-35	174.5	-173.6	60.4	29.3	0	0	112.4	N486 G536	N486-Q534 PolarHBondContact ND2-O 3.25Å; Q534-G536 VanDerWaalsContact C-N 3.28Å
535	E	93.8	Very high	89.5	Confident	129 Å²	129	40.1 Å²	40.1	60%	0.603	20%	0.198	S	C	*	.	T	Hydrogen-bonded Turn	trans	-81.4	-4.9	177.3	-55.1	70.2	-151.2	0	0	112.7	S533 Y537	S533-E535 WeakPolarHBondContact CB-OE2 3.41Å; S533-E535 PolarHBondContact O-N 2.82Å; S533-E535 PolarHBondContact OG-N 3.2Å; S533-E535 PolarHBondContact OG-OE2 2.92Å; E535-Y537 HydrophobicContact CB-CD2 4.08Å; E535-Y537 HydrophobicContact CB-CE2 4.01Å; E535-Y537 HydrophobicContact CG-CE2 4.46Å
536	G	94.9	Very high	88	Confident	21 Å²	21	39.6 Å²	39.6	22%	0.216	20%	0.197	C	C	.	.	S	Bend	trans	86.2	9.6	-178.9	0	0	0	0	0	114.7	S533 Q534 Y538	S533-G536 PolarHBondContact O-N 2.77Å; S533-G536 PolarHBondContact OG-N 3.46Å; Q534-G536 VanDerWaalsContact C-N 3.28Å; G536-Y538 WeakPolarHBondContact O-CD2 3.49Å; G536-Y538 WeakPolarHBondContact O-CE2 3.39Å
537	Y	96.8	Very high	86.6	Confident	42 Å²	42	40.5 Å²	40.5	17%	0.165	20%	0.202	C	C	.	.			trans	-74.2	145.4	175.3	-63.3	-32.4	0	0	0	111.5	V460 M463 M465 R466 R532 S533 E535	V460-Y537 HydrophobicContact CG2-CD2 4.28Å; V460-Y537 HydrophobicContact CG2-CE2 4.34Å; M463-Y537 WeakPolarHBondContact CE-O 3.35Å; M463-Y537 VanDerWaalsContact SD-CB 3.57Å; M463-Y537 HydrophobicContact SD-CD2 4.39Å; M463-Y537 HydrophobicContact SD-CG 4.4Å; M465-Y537 HydrophobicContact CB-CD1 4.02Å; M465-Y537 HydrophobicContact CB-CG 4.13Å; M465-Y537 HydrophobicContact CE-CD1 3.9Å; M465-Y537 HydrophobicContact CE-CD2 3.44Å; M465-Y537 VanDerWaalsContact CE-CD2 3.44Å; M465-Y537 HydrophobicContact CE-CE1 3.73Å; M465-Y537 HydrophobicContact CE-CE2 3.24Å; M465-Y537 HydrophobicContact CE-CG 3.77Å; M465-Y537 VanDerWaalsContact CE-CZ 3.41Å; M465-Y537 HydrophobicContact CG-CG 4.33Å; R466-Y537 HydrophobicContact CG-CD1 4.09Å; R466-Y537 HydrophobicContact CG-CE1 4.02Å; R466-Y537 PolarHBondContact NH2-OH 2.83Å; R532-Y537 CarbonylContact C-O 3.59Å; R532-Y537 VanDerWaalsContact CA-O 3.29Å; R532-Y537 WeakPolarHBondContact CA-O 3.45Å; S533-Y537 PolarHBondContact N-O 3.08Å; S533-Y537 PolarHBondContact OG-N 2.97Å; E535-Y537 HydrophobicContact CB-CD2 4.08Å; E535-Y537 HydrophobicContact CB-CE2 4.01Å; E535-Y537 HydrophobicContact CG-CE2 4.46Å
538	Y	96.8	Very high	85.8	Confident	14 Å²	14	40.3 Å²	40.3	6%	0.055	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.2	124.5	179.1	-71	-96.9	0	0	0	111.8	I448 M463 A464 M465 P473 L475 L492 A530 Y531 R532 G536	I448-Y538 HydrophobicContact CD1-CG 4.31Å; M463-Y538 WeakPolarHBondContact CG-O 3.46Å; A464-Y538 PolarHBondContact N-O 2.72Å; M465-Y538 PolarHBondContact N-O 3.2Å; M465-Y538 PolarHBondContact O-N 3.27Å; P473-Y538 HydrophobicContact CB-CD1 4.35Å; P473-Y538 HydrophobicContact CB-CE1 3.71Å; P473-Y538 HydrophobicContact CB-CE2 4.26Å; P473-Y538 HydrophobicContact CG-CE1 4.41Å; P473-Y538 HydrophobicContact CG-CE2 4.13Å; P473-Y538 PolarHBondContact O-OH 2.84Å; L475-Y538 HydrophobicContact CD2-CE1 4.25Å; L475-Y538 HydrophobicContact CG-CE1 4.22Å; L492-Y538 HydrophobicContact CD1-CD1 4.29Å; L492-Y538 HydrophobicContact CD1-CE1 4.36Å; A530-Y538 HydrophobicContact CB-CD1 4.49Å; Y531-Y538 CarbonylContact O-C 3.57Å; Y531-Y538 WeakPolarHBondContact O-CA 3.48Å; R532-Y538 HydrophobicContact CB-CD1 4.5Å; R532-Y538 HydrophobicContact CB-CE1 4.26Å; R532-Y538 HydrophobicContact CG-CE1 4.5Å; R532-Y538 HydrophobicContact CG-CE2 4.44Å; R532-Y538 PolarHBondContact NH1-OH 2.68Å; G536-Y538 WeakPolarHBondContact O-CD2 3.49Å; G536-Y538 WeakPolarHBondContact O-CE2 3.39Å
539	Q	92.8	Very high	84.7	Confident	75 Å²	75	42.9 Å²	42.9	35%	0.35	21%	0.213	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.1	133.6	167.1	-173.9	177.7	6.8	0	0	108.6	M463 A530 Y531	M463-Q539 HydrophobicContact CE-CB 3.79Å; M463-Q539 HydrophobicContact CG-CB 3.94Å; M463-Q539 HydrophobicContact CG-CG 4.48Å; A530-Q539 CarbonylContact C-O 3.58Å; A530-Q539 WeakPolarHBondContact CA-O 3.35Å; A530-Q539 VanDerWaalsContact CB-O 3.32Å; A530-Q539 WeakPolarHBondContact CB-O 3.19Å; Y531-Q539 HydrophobicContact CD1-CB 4.41Å; Y531-Q539 PolarHBondContact N-O 3.23Å; Y531-Q539 PolarHBondContact O-N 2.82Å
540	I	88.4	Confident	83.6	Confident	24 Å²	24	42.9 Å²	42.9	12%	0.123	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90	120.1	179.2	-50.9	-62.7	0	0	0	107.8	W438 I448 A464 L492 D528 A530 G542	W438-I540 HydrophobicContact CB-CD1 4.24Å; W438-I540 HydrophobicContact CB-CG1 3.82Å; W438-I540 VanDerWaalsContact CD1-CG1 3.44Å; W438-I540 HydrophobicContact CD2-CD1 3.78Å; W438-I540 HydrophobicContact CD2-CG1 4.21Å; W438-I540 HydrophobicContact CE3-CD1 4.49Å; W438-I540 HydrophobicContact CG-CD1 3.64Å; W438-I540 HydrophobicContact CG-CG1 3.51Å; I448-I540 HydrophobicContact CD1-CD1 4.49Å; A464-I540 HydrophobicContact CB-CG1 4.36Å; L492-I540 HydrophobicContact CD2-CD1 3.69Å; D528-I540 HydrophobicContact CB-CG2 4.33Å; A530-I540 HydrophobicContact CB-CD1 4.15Å; I540-G542 VanDerWaalsContact C-N 3.32Å
541	T	80.3	Confident	81.9	Confident	45 Å²	45	46.3 Å²	46.3	28%	0.276	24%	0.237	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.7	-2.4	-176.6	56.7	0	0	0	0	112.7	G529 A558	G529-T541 PolarHBondContact O-N 3.28Å; G529-T541 PolarHBondContact O-OG1 2.94Å; T541-A558 WeakPolarHBondContact O-CB 3.46Å
542	G	73.9	Confident	79.5	Confident	12 Å²	12	46.5 Å²	46.5	12%	0.124	26%	0.256	C	S	.	.	E	Extended strand (participates in β ladder)	trans	108.9	-169.5	178.5	0	0	0	0	0	112.6	D528 G529 I540	D528-G542 CarbonylContact C-O 3.53Å; D528-G542 WeakPolarHBondContact CA-O 3.32Å; G529-G542 PolarHBondContact N-O 3.4Å; I540-G542 VanDerWaalsContact C-N 3.32Å
543	R	79	Confident	77.1	Confident	86 Å²	86	49.3 Å²	49.3	33%	0.325	27%	0.27	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-70.7	134	-178	-74.3	-61	-65.9	-175.4	4.9	110.9	T526 D528 D545 D546 V547	T526-R543 PolarHBondContact O-NH1 3.32Å; T526-R543 VanDerWaalsContact O-NH1 3.15Å; D528-R543 WeakPolarHBondContact OD1-CD 3.41Å; R543-D545 VanDerWaalsContact C-N 3.27Å; R543-D545 WeakPolarHBondContact CB-OD1 3.42Å; R543-D545 IonicContact CZ-OD1 2.69Å; R543-D545 IonicContact NE-OD1 3.77Å; R543-D545 PolarHBondContact NE-OD1 3.13Å; R543-D545 IonicContact NH2-OD1 3.75Å; R543-D545 PolarHBondContact NH2-OD1 2.89Å; R543-D545 PolarHBondContact O-N 3.03Å; R543-D546 HydrophobicContact CB-CB 4.04Å; R543-D546 CarbonylContact O-C 3.43Å; R543-D546 VanDerWaalsContact O-CA 3.32Å; R543-D546 WeakPolarHBondContact O-CA 3.25Å; R543-D546 WeakPolarHBondContact O-CB 3.44Å; R543-D546 PolarHBondContact O-N 3.25Å; R543-V547 PolarHBondContact O-N 3.43Å
544	L	75.4	Confident	75.1	Confident	33 Å²	33	55.4 Å²	55.4	17%	0.173	29%	0.292	C	S	.	.	G	3₁₀ helix	trans	-69.1	-26.9	177	-76.5	168.8	0	0	0	113	A491 F525 G527 D528 D546 V547	A491-L544 HydrophobicContact CB-CD1 3.49Å; A491-L544 VanDerWaalsContact CB-CD1 3.49Å; F525-L544 HydrophobicContact CE2-CD1 3.6Å; F525-L544 HydrophobicContact CZ-CD1 3.63Å; G527-L544 PolarHBondContact O-N 3.23Å; D528-L544 WeakPolarHBondContact O-CD1 3.4Å; L544-D546 PolarHBondContact O-N 3.45Å; L544-V547 HydrophobicContact CD2-CG2 3.93Å; L544-V547 WeakPolarHBondContact O-CB 2.96Å; L544-V547 PolarHBondContact O-N 2.79Å; L544-V547 VanDerWaalsContact O-N 3.11Å
545	D	68.7	Low	73.6	Confident	89 Å²	89	49.6 Å²	49.6	48%	0.476	27%	0.265	S	S	.	.	G	3₁₀ helix	trans	-65	-17.6	167.6	46.6	-48	0	0	0	112.7	R543 R645	R543-D545 VanDerWaalsContact C-N 3.27Å; R543-D545 WeakPolarHBondContact CB-OD1 3.42Å; R543-D545 IonicContact CZ-OD1 2.69Å; R543-D545 IonicContact NE-OD1 3.77Å; R543-D545 PolarHBondContact NE-OD1 3.13Å; R543-D545 IonicContact NH2-OD1 3.75Å; R543-D545 PolarHBondContact NH2-OD1 2.89Å; R543-D545 PolarHBondContact O-N 3.03Å; D545-R645 PolarHBondContact O-NH2 2.9Å
546	D	66	Low	72.2	Confident	22 Å²	22	44 Å²	44	12%	0.118	24%	0.242	C	C	.	.	G	3₁₀ helix	trans	-100	8.5	172.4	-65.6	-34.2	0	0	0	113	R543 L544 T557 R645	R543-D546 HydrophobicContact CB-CB 4.04Å; R543-D546 CarbonylContact O-C 3.43Å; R543-D546 VanDerWaalsContact O-CA 3.32Å; R543-D546 WeakPolarHBondContact O-CA 3.25Å; R543-D546 WeakPolarHBondContact O-CB 3.44Å; R543-D546 PolarHBondContact O-N 3.25Å; L544-D546 PolarHBondContact O-N 3.45Å; D546-T557 HydrophobicContact CB-CG2 4.48Å; D546-T557 WeakPolarHBondContact O-CG2 3.3Å; D546-R645 IonicContact OD1-NH2 2.76Å; D546-R645 PolarHBondContact OD1-NH2 2.87Å
547	V	66.8	Low	71.6	Confident	23 Å²	23	43.3 Å²	43.3	14%	0.139	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-79.3	132.7	170.4	168.9	0	0	0	0	110.6	R543 L544 R554	R543-V547 PolarHBondContact O-N 3.43Å; L544-V547 HydrophobicContact CD2-CG2 3.93Å; L544-V547 WeakPolarHBondContact O-CB 2.96Å; L544-V547 PolarHBondContact O-N 2.79Å; L544-V547 VanDerWaalsContact O-N 3.11Å; V547-R554 HydrophobicContact CG1-CB 3.89Å; V547-R554 HydrophobicContact CG1-CG 4.4Å
548	I	75	Confident	70.4	Confident	1 Å²	1	42 Å²	42	1%	0.005	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.6	134.8	178.1	-46.4	176	0	0	0	108.9	V550 R554 I555 T557 V575 I576 Q585 V587	I548-V550 HydrophobicContact CB-CG2 4.45Å; I548-V550 HydrophobicContact CG2-CG2 3.63Å; I548-R554 CarbonylContact O-C 3.56Å; I548-R554 WeakPolarHBondContact O-CA 3.24Å; I548-I555 PolarHBondContact N-O 3.08Å; I548-I555 PolarHBondContact O-N 2.84Å; I548-T557 HydrophobicContact CD1-CG2 3.76Å; I548-T557 HydrophobicContact CG1-CG2 3.87Å; I548-V575 HydrophobicContact CD1-CG1 3.85Å; I548-I576 WeakPolarHBondContact CD1-O 3.46Å; I548-Q585 HydrophobicContact CG2-CB 3.84Å; I548-V587 HydrophobicContact CD1-CG1 4.36Å; I548-V587 HydrophobicContact CD1-CG2 4.18Å; I548-V587 HydrophobicContact CG2-CG2 4.42Å
549	N	65.8	Low	69	Low	66 Å²	66	46 Å²	46	35%	0.353	25%	0.25	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-107	98.3	172.8	-173.5	-10.2	0	0	0	110.9	G552 H553 Q585	N549-G552 WeakPolarHBondContact OD1-CA 3.13Å; N549-G552 PolarHBondContact OD1-N 2.97Å; N549-H553 CarbonylContact C-O 3.6Å; N549-H553 WeakPolarHBondContact CA-O 3.3Å; N549-H553 PolarHBondContact OD1-N 3.21Å; N549-Q585 WeakPolarHBondContact O-CB 3.38Å; N549-Q585 PolarHBondContact O-N 3.13Å
550	V	66.1	Low	68.4	Low	2 Å²	2	42.4 Å²	42.4	1%	0.012	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.5	106	-178.5	-169.5	0	0	0	0	109.8	I548 G552 H553 I555 K583 V587 Y619	I548-V550 HydrophobicContact CB-CG2 4.45Å; I548-V550 HydrophobicContact CG2-CG2 3.63Å; V550-G552 PolarHBondContact O-N 3.5Å; V550-H553 PolarHBondContact N-O 2.96Å; V550-H553 WeakPolarHBondContact O-CB 3.33Å; V550-H553 PolarHBondContact O-N 3.41Å; V550-H553 PolarHBondContact O-ND1 2.99Å; V550-H553 VanDerWaalsContact O-ND1 3.09Å; V550-I555 HydrophobicContact CB-CD1 4.31Å; V550-I555 HydrophobicContact CG2-CD1 4.02Å; V550-K583 HydrophobicContact CG1-CB 4.1Å; V550-K583 HydrophobicContact CG1-CD 3.75Å; V550-K583 HydrophobicContact CG1-CG 4.38Å; V550-V587 HydrophobicContact CG2-CG2 3.7Å; V550-Y619 WeakPolarHBondContact CG1-O 3.19Å
551	S	58.5	Low	68.3	Low	72 Å²	72	42 Å²	42	50%	0.503	23%	0.232	S	C	.	.	T	Hydrogen-bonded Turn	trans	53	39.1	-179.4	-56.1	0	0	0	0	113.4	H553 K583	S551-H553 PolarHBondContact O-ND1 2.87Å; S551-K583 PolarHBondContact N-O 3.31Å
552	G	42.6	Very low	68	Low	60 Å²	60	42.7 Å²	42.7	62%	0.619	23%	0.233	S	C	*	.	T	Hydrogen-bonded Turn	trans	90.6	-8.4	-178.1	0	0	0	0	0	115	N549 V550	N549-G552 WeakPolarHBondContact OD1-CA 3.13Å; N549-G552 PolarHBondContact OD1-N 2.97Å; V550-G552 PolarHBondContact O-N 3.5Å
553	H	45.8	Very low	68.2	Low	86 Å²	86	42.6 Å²	42.6	40%	0.398	23%	0.23	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.6	119.7	178.3	-53.4	85.6	0	0	0	110	N549 V550 S551 Y619	N549-H553 CarbonylContact C-O 3.6Å; N549-H553 WeakPolarHBondContact CA-O 3.3Å; N549-H553 PolarHBondContact OD1-N 3.21Å; V550-H553 PolarHBondContact N-O 2.96Å; V550-H553 WeakPolarHBondContact O-CB 3.33Å; V550-H553 PolarHBondContact O-N 3.41Å; V550-H553 PolarHBondContact O-ND1 2.99Å; V550-H553 VanDerWaalsContact O-ND1 3.09Å; S551-H553 PolarHBondContact O-ND1 2.87Å; H553-Y619 HydrophobicContact CB-CD2 3.89Å; H553-Y619 HydrophobicContact CB-CE2 3.75Å; H553-Y619 HydrophobicContact CB-CG 4.49Å; H553-Y619 AromaticContact CD2-CE1 3.95Å; H553-Y619 AromaticContact CD2-CZ 4Å
554	R	53.3	Low	68.7	Low	137 Å²	137	38.6 Å²	38.6	52%	0.517	22%	0.216	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-87	123.4	176.4	-65.2	-171	75.6	155.9	1.9	110.1	V547 I548	V547-R554 HydrophobicContact CG1-CB 3.89Å; V547-R554 HydrophobicContact CG1-CG 4.4Å; I548-R554 CarbonylContact O-C 3.56Å; I548-R554 WeakPolarHBondContact O-CA 3.24Å
555	I	65.4	Low	69.3	Low	3 Å²	3	38.4 Å²	38.4	2%	0.015	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.8	129.7	-174	-46.1	167	0	0	0	108	I548 V550 I560 Y619 A620	I548-I555 PolarHBondContact N-O 3.08Å; I548-I555 PolarHBondContact O-N 2.84Å; V550-I555 HydrophobicContact CB-CD1 4.31Å; V550-I555 HydrophobicContact CG2-CD1 4.02Å; I555-I560 HydrophobicContact CG2-CD1 3.81Å; I555-I560 HydrophobicContact CG2-CG1 3.87Å; I555-Y619 HydrophobicContact CD1-CD2 3.55Å; I555-Y619 HydrophobicContact CD1-CE2 3.63Å; I555-Y619 HydrophobicContact CG1-CD2 4.4Å; I555-Y619 HydrophobicContact CG1-CE2 4.04Å; I555-A620 HydrophobicContact CD1-CB 3.89Å
556	G	64.8	Low	70	Confident	11 Å²	11	39.4 Å²	39.4	11%	0.113	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-72.3	135.7	172	0	0	0	0	0	110	A558 E559	G556-A558 PolarHBondContact O-N 3.26Å; G556-E559 WeakPolarHBondContact O-CB 3.44Å; G556-E559 PolarHBondContact O-N 3.03Å; G556-E559 VanDerWaalsContact O-N 3.16Å
557	T	81.4	Confident	71.1	Confident	6 Å²	6	38.5 Å²	38.5	4%	0.037	21%	0.212	C	C	.	.	H	α-helix	trans	-57.5	-36.1	174	50.6	0	0	0	0	112	D546 I548 E559 I560 E561 V575	D546-T557 HydrophobicContact CB-CG2 4.48Å; D546-T557 WeakPolarHBondContact O-CG2 3.3Å; I548-T557 HydrophobicContact CD1-CG2 3.76Å; I548-T557 HydrophobicContact CG1-CG2 3.87Å; T557-E559 VanDerWaalsContact C-N 3.27Å; T557-E559 PolarHBondContact O-N 2.95Å; T557-I560 PolarHBondContact O-N 3.23Å; T557-E561 WeakPolarHBondContact O-CB 3.21Å; T557-E561 VanDerWaalsContact O-CG 3.25Å; T557-E561 WeakPolarHBondContact O-CG 3.25Å; T557-E561 PolarHBondContact O-N 3.4Å; T557-V575 WeakPolarHBondContact CB-O 3.45Å; T557-V575 HydrophobicContact CG2-CB 4.23Å; T557-V575 HydrophobicContact CG2-CG1 4.16Å; T557-V575 WeakPolarHBondContact CG2-O 3.4Å
558	A	71.1	Confident	72.1	Confident	16 Å²	16	42 Å²	42	13%	0.132	24%	0.238	C	C	.	.	H	α-helix	trans	-59.7	-35.9	179	0	0	0	0	0	112.8	T541 G556 E561 D562	T541-A558 WeakPolarHBondContact O-CB 3.46Å; G556-A558 PolarHBondContact O-N 3.26Å; A558-E561 PolarHBondContact O-N 2.66Å; A558-D562 WeakPolarHBondContact O-CB 3.18Å; A558-D562 PolarHBondContact O-N 3.43Å
559	E	68.4	Low	72.9	Confident	96 Å²	96	42.3 Å²	42.3	45%	0.449	24%	0.24	S	C	.	.	H	α-helix	trans	-64.8	-43.4	179.6	-167.1	-176.9	172.3	0	0	111.3	G556 T557 D562 V563 I616	G556-E559 WeakPolarHBondContact O-CB 3.44Å; G556-E559 PolarHBondContact O-N 3.03Å; G556-E559 VanDerWaalsContact O-N 3.16Å; T557-E559 VanDerWaalsContact C-N 3.27Å; T557-E559 PolarHBondContact O-N 2.95Å; E559-D562 PolarHBondContact O-N 2.91Å; E559-V563 PolarHBondContact O-N 3.34Å; E559-I616 HydrophobicContact CB-CD1 4.46Å; E559-I616 HydrophobicContact CG-CD1 3.89Å; E559-I616 HydrophobicContact CG-CG1 4.31Å; E559-I616 WeakPolarHBondContact O-CD1 3.29Å
560	I	80.2	Confident	74.1	Confident	0 Å²	0	39.3 Å²	39.3	0%	0	22%	0.224	C	C	.	.	H	α-helix	trans	-68.7	-44	176.6	-55.6	171.5	0	0	0	110.1	I555 T557 D562 V563 V564 V575 V587 V612 I616 A620 P622	I555-I560 HydrophobicContact CG2-CD1 3.81Å; I555-I560 HydrophobicContact CG2-CG1 3.87Å; T557-I560 PolarHBondContact O-N 3.23Å; I560-D562 VanDerWaalsContact C-N 3.32Å; I560-D562 PolarHBondContact O-N 3.48Å; I560-V563 PolarHBondContact O-N 2.95Å; I560-V564 HydrophobicContact CG2-CG2 4.32Å; I560-V564 VanDerWaalsContact O-CG2 3.31Å; I560-V564 WeakPolarHBondContact O-CG2 3.33Å; I560-V564 PolarHBondContact O-N 2.74Å; I560-V575 HydrophobicContact CB-CG1 4.29Å; I560-V575 HydrophobicContact CB-CG2 4.15Å; I560-V575 HydrophobicContact CD1-CG1 4.1Å; I560-V575 HydrophobicContact CG2-CG1 4.28Å; I560-V575 HydrophobicContact CG2-CG2 3.86Å; I560-V587 HydrophobicContact CD1-CG1 3.84Å; I560-V587 HydrophobicContact CD1-CG2 4.13Å; I560-V612 HydrophobicContact CG2-CG1 4.5Å; I560-V612 HydrophobicContact CG2-CG2 4.26Å; I560-I616 HydrophobicContact CB-CD1 4.4Å; I560-I616 HydrophobicContact CG1-CD1 4.01Å; I560-A620 HydrophobicContact CG1-CB 4.49Å; I560-P622 HydrophobicContact CG2-CG 4.4Å
561	E	85.8	Confident	75	Confident	17 Å²	17	40.4 Å²	40.4	8%	0.079	23%	0.233	C	C	.	.	H	α-helix	trans	-57.7	-43.2	176.1	-71.1	168.5	-173.8	0	0	111.4	T557 A558 V563 V564 N565 S573 A574 V575 R641	T557-E561 WeakPolarHBondContact O-CB 3.21Å; T557-E561 VanDerWaalsContact O-CG 3.25Å; T557-E561 WeakPolarHBondContact O-CG 3.25Å; T557-E561 PolarHBondContact O-N 3.4Å; A558-E561 PolarHBondContact O-N 2.66Å; E561-V563 VanDerWaalsContact C-N 3.33Å; E561-V563 PolarHBondContact O-N 3.21Å; E561-V564 PolarHBondContact O-N 2.69Å; E561-N565 VanDerWaalsContact O-CB 3.23Å; E561-N565 WeakPolarHBondContact O-CB 3.24Å; E561-N565 PolarHBondContact O-N 3.45Å; E561-N565 PolarHBondContact O-ND2 3.47Å; E561-S573 PolarHBondContact O-OG 2.9Å; E561-A574 WeakPolarHBondContact OE1-CA 3.41Å; E561-V575 HydrophobicContact CG-CB 3.89Å; E561-V575 HydrophobicContact CG-CG2 3.59Å; E561-V575 PolarHBondContact OE1-N 2.76Å; E561-R641 IonicContact OE1-CZ 2.66Å; E561-R641 IonicContact OE1-NE 3.17Å; E561-R641 PolarHBondContact OE1-NE 3.21Å; E561-R641 VanDerWaalsContact OE1-NE 3.16Å; E561-R641 IonicContact OE1-NH2 3.76Å; E561-R641 PolarHBondContact OE1-NH2 3.39Å; E561-R641 IonicContact OE2-CZ 2.59Å; E561-R641 IonicContact OE2-NH2 3.86Å; E561-R641 PolarHBondContact OE2-NH2 3.15Å
562	D	74.8	Confident	76.6	Confident	58 Å²	58	37.7 Å²	37.7	31%	0.31	21%	0.212	S	C	.	.	H	α-helix	trans	-62.2	-38.9	179.1	-82	-20	0	0	0	112.4	A558 E559 I560 Q566	A558-D562 WeakPolarHBondContact O-CB 3.18Å; A558-D562 PolarHBondContact O-N 3.43Å; E559-D562 PolarHBondContact O-N 2.91Å; I560-D562 VanDerWaalsContact C-N 3.32Å; I560-D562 PolarHBondContact O-N 3.48Å; D562-Q566 VanDerWaalsContact O-CG 3.29Å; D562-Q566 WeakPolarHBondContact O-CG 3.39Å; D562-Q566 PolarHBondContact O-N 3.14Å; D562-Q566 PolarHBondContact O-NE2 2.99Å; D562-Q566 VanDerWaalsContact O-NE2 3.09Å
563	V	77.4	Confident	79	Confident	10 Å²	10	35 Å²	35	6%	0.061	18%	0.184	C	C	.	.	H	α-helix	trans	-71.3	-44.3	175.7	171.3	0	0	0	0	111.5	E559 I560 E561 N565 Q566 M611 V612 K615 I616	E559-V563 PolarHBondContact O-N 3.34Å; I560-V563 PolarHBondContact O-N 2.95Å; E561-V563 VanDerWaalsContact C-N 3.33Å; E561-V563 PolarHBondContact O-N 3.21Å; V563-N565 VanDerWaalsContact C-N 3.31Å; V563-N565 PolarHBondContact O-N 2.98Å; V563-Q566 WeakPolarHBondContact O-CB 3.24Å; V563-Q566 PolarHBondContact O-N 3.19Å; V563-M611 HydrophobicContact CG1-CB 4.01Å; V563-V612 HydrophobicContact CB-CG2 4.39Å; V563-V612 HydrophobicContact CG1-CB 4.47Å; V563-V612 HydrophobicContact CG1-CG2 3.88Å; V563-K615 HydrophobicContact CG1-CB 4.16Å; V563-K615 HydrophobicContact CG1-CD 3.97Å; V563-K615 HydrophobicContact CG2-CB 3.8Å; V563-K615 HydrophobicContact CG2-CD 4.13Å; V563-I616 HydrophobicContact CB-CD1 4.3Å; V563-I616 HydrophobicContact CG2-CD1 3.83Å; V563-I616 HydrophobicContact CG2-CG1 3.84Å
564	V	89.9	Confident	81.2	Confident	3 Å²	3	31 Å²	31	2%	0.018	17%	0.165	C	C	.	.	H	α-helix	trans	-62.3	-40.5	178.7	169.7	0	0	0	0	111	I560 E561 Q566 C567 V570 V591 L608 V612	I560-V564 HydrophobicContact CG2-CG2 4.32Å; I560-V564 VanDerWaalsContact O-CG2 3.31Å; I560-V564 WeakPolarHBondContact O-CG2 3.33Å; I560-V564 PolarHBondContact O-N 2.74Å; E561-V564 PolarHBondContact O-N 2.69Å; V564-Q566 PolarHBondContact O-N 2.99Å; V564-C567 WeakPolarHBondContact O-CB 3.34Å; V564-C567 PolarHBondContact O-N 3.5Å; V564-C567 VanDerWaalsContact O-N 3.16Å; V564-V570 HydrophobicContact CG1-CG1 4.26Å; V564-V570 HydrophobicContact CG1-CG2 4.37Å; V564-V591 HydrophobicContact CG1-CG2 4Å; V564-L608 HydrophobicContact CG1-CD1 4.44Å; V564-L608 HydrophobicContact CG1-CD2 4.19Å; V564-V612 HydrophobicContact CG2-CG2 3.92Å
565	N	87.1	Confident	83	Confident	28 Å²	28	24.4 Å²	24.4	15%	0.15	14%	0.141	C	C	.	.	H	α-helix	trans	-70.1	-15.5	179.6	-68.7	-29.6	0	0	0	113.6	E561 V563 C567 S573	E561-N565 VanDerWaalsContact O-CB 3.23Å; E561-N565 WeakPolarHBondContact O-CB 3.24Å; E561-N565 PolarHBondContact O-N 3.45Å; E561-N565 PolarHBondContact O-ND2 3.47Å; V563-N565 VanDerWaalsContact C-N 3.31Å; V563-N565 PolarHBondContact O-N 2.98Å; N565-C567 PolarHBondContact O-N 2.99Å; N565-S573 VanDerWaalsContact CG-OG 3.27Å; N565-S573 PolarHBondContact ND2-OG 3.16Å; N565-S573 WeakPolarHBondContact OD1-CB 3.46Å; N565-S573 PolarHBondContact OD1-N 3.13Å; N565-S573 PolarHBondContact OD1-OG 3.45Å
566	Q	83.8	Confident	84.3	Confident	111 Å²	111	24.3 Å²	24.3	52%	0.519	14%	0.14	S	C	.	.	T	Hydrogen-bonded Turn	trans	-75.2	-12.8	172.8	-72.3	166.4	42.8	0	0	113	D562 V563 V564 S568 M611	D562-Q566 VanDerWaalsContact O-CG 3.29Å; D562-Q566 WeakPolarHBondContact O-CG 3.39Å; D562-Q566 PolarHBondContact O-N 3.14Å; D562-Q566 PolarHBondContact O-NE2 2.99Å; D562-Q566 VanDerWaalsContact O-NE2 3.09Å; V563-Q566 WeakPolarHBondContact O-CB 3.24Å; V563-Q566 PolarHBondContact O-N 3.19Å; V564-Q566 PolarHBondContact O-N 2.99Å; Q566-S568 PolarHBondContact O-N 3.46Å; Q566-M611 HydrophobicContact CB-CE 4.07Å
567	C	89.2	Confident	85.4	Confident	3 Å²	3	23.9 Å²	23.9	2%	0.02	14%	0.136	C	C	.	.	S	Bend	trans	-68.8	128.8	174	178.9	0	0	0	0	109.8	V564 N565 A569 V570 L608 M611	V564-C567 WeakPolarHBondContact O-CB 3.34Å; V564-C567 PolarHBondContact O-N 3.5Å; V564-C567 VanDerWaalsContact O-N 3.16Å; N565-C567 PolarHBondContact O-N 2.99Å; C567-A569 PolarHBondContact O-N 2.94Å; C567-A569 VanDerWaalsContact O-N 3.11Å; C567-V570 HydrophobicContact CB-CB 4.27Å; C567-V570 HydrophobicContact CB-CG2 3.8Å; C567-V570 PolarHBondContact O-N 3.22Å; C567-L608 HydrophobicContact CB-CD2 3.48Å; C567-L608 VanDerWaalsContact CB-CD2 3.48Å; C567-M611 HydrophobicContact CB-CE 4.22Å; C567-M611 HydrophobicContact CB-SD 3.87Å
568	S	88.4	Confident	85.7	Confident	97 Å²	97	25 Å²	25	68%	0.678	14%	0.139	S	C	*	.	T	Hydrogen-bonded Turn	trans	-60	-28.6	-174.2	63.7	0	0	0	0	113.2	Q566 K594	Q566-S568 PolarHBondContact O-N 3.46Å; S568-K594 VanDerWaalsContact O-CD 3.29Å; S568-K594 WeakPolarHBondContact O-CD 3.46Å; S568-K594 WeakPolarHBondContact O-CE 3.3Å; S568-K594 PolarHBondContact O-NZ 2.87Å
569	A	90.8	Very high	86	Confident	6 Å²	6	28.9 Å²	28.9	5%	0.05	17%	0.166	C	C	.	.	T	Hydrogen-bonded Turn	trans	-77.1	-21.2	177.6	0	0	0	0	0	114	C567 L593 K594 V597 L604	C567-A569 PolarHBondContact O-N 2.94Å; C567-A569 VanDerWaalsContact O-N 3.11Å; A569-L593 CarbonylContact O-C 3.37Å; A569-L593 WeakPolarHBondContact O-CA 3.4Å; A569-K594 PolarHBondContact O-N 3.29Å; A569-V597 HydrophobicContact CB-CG1 3.96Å; A569-V597 HydrophobicContact CB-CG2 3.95Å; A569-L604 HydrophobicContact CB-CD1 3.98Å; A569-L604 HydrophobicContact CB-CD2 4.19Å
570	V	90.8	Very high	86.6	Confident	4 Å²	4	26.1 Å²	26.1	2%	0.024	15%	0.153	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.3	130.2	-174.3	176.5	0	0	0	0	110.6	V564 C567 V591 L593 K594 L608	V564-V570 HydrophobicContact CG1-CG1 4.26Å; V564-V570 HydrophobicContact CG1-CG2 4.37Å; C567-V570 HydrophobicContact CB-CB 4.27Å; C567-V570 HydrophobicContact CB-CG2 3.8Å; C567-V570 PolarHBondContact O-N 3.22Å; V570-V591 HydrophobicContact CB-CG1 4.39Å; V570-V591 HydrophobicContact CG1-CG1 3.98Å; V570-V591 HydrophobicContact CG2-CG1 3.66Å; V570-L593 HydrophobicContact CG2-CD2 4.43Å; V570-K594 WeakPolarHBondContact O-CE 3.48Å; V570-L608 HydrophobicContact CG2-CD1 4.35Å; V570-L608 HydrophobicContact CG2-CD2 3.92Å
571	A	86.5	Confident	85.7	Confident	24 Å²	24	31.9 Å²	31.9	20%	0.198	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.7	-36.3	175.5	0	0	0	0	0	112.5	R391 V592 K594	R391-A571 VanDerWaalsContact NH2-C 3.32Å; R391-A571 PolarHBondContact NH2-O 3.38Å; A571-V592 HydrophobicContact CB-CG1 4.49Å; A571-V592 WeakPolarHBondContact CB-O 3.46Å; A571-V592 PolarHBondContact N-O 2.77Å; A571-K594 HydrophobicContact CB-CG 3.81Å
572	E	91	Very high	84.6	Confident	16 Å²	16	38 Å²	38	8%	0.075	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-164.4	159.1	174.6	55.6	-172.4	-142	0	0	110	R391 V592 L631 K633	R391-E572 IonicContact CZ-OE2 2.72Å; R391-E572 IonicContact NH1-OE2 2.8Å; R391-E572 PolarHBondContact NH1-OE2 3.11Å; R391-E572 IonicContact NH2-OE2 2.86Å; R391-E572 PolarHBondContact NH2-OE2 2.87Å; E572-V592 HydrophobicContact CG-CB 3.52Å; E572-V592 HydrophobicContact CG-CG1 4.18Å; E572-V592 HydrophobicContact CG-CG2 3.7Å; E572-V592 PolarHBondContact N-O 3.41Å; E572-V592 PolarHBondContact O-N 3.25Å; E572-L631 HydrophobicContact CG-CD1 4.05Å; E572-K633 WeakPolarHBondContact OE1-CE 3.35Å; E572-K633 IonicContact OE1-NZ 2.75Å; E572-K633 PolarHBondContact OE1-NZ 2.85Å; E572-K633 IonicContact OE2-NZ 3.56Å; E572-K633 PolarHBondContact OE2-NZ 3.1Å
573	S	92.9	Very high	84	Confident	4 Å²	4	37.9 Å²	37.9	3%	0.028	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140	159.4	174	58.3	0	0	0	0	111.6	E561 N565 F590	E561-S573 PolarHBondContact O-OG 2.9Å; N565-S573 VanDerWaalsContact CG-OG 3.27Å; N565-S573 PolarHBondContact ND2-OG 3.16Å; N565-S573 WeakPolarHBondContact OD1-CB 3.46Å; N565-S573 PolarHBondContact OD1-N 3.13Å; N565-S573 PolarHBondContact OD1-OG 3.45Å; S573-F590 CarbonylContact C-O 3.53Å; S573-F590 WeakPolarHBondContact CA-O 3.35Å; S573-F590 WeakPolarHBondContact CB-O 3.24Å
574	A	92.1	Very high	83.5	Confident	0 Å²	0	39.7 Å²	39.7	0%	0	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135	135	166.1	0	0	0	0	0	108.6	E561 F590 L631 I639 L644	E561-A574 WeakPolarHBondContact OE1-CA 3.41Å; A574-F590 HydrophobicContact CB-CB 4.42Å; A574-F590 HydrophobicContact CB-CD2 4.45Å; A574-F590 PolarHBondContact N-O 3.34Å; A574-F590 PolarHBondContact O-N 3.04Å; A574-L631 HydrophobicContact CB-CD1 3.85Å; A574-L631 HydrophobicContact CB-CD2 4.16Å; A574-I639 HydrophobicContact CB-CD1 4.21Å; A574-I639 HydrophobicContact CB-CG2 3.92Å; A574-L644 HydrophobicContact CB-CD1 3.65Å
575	V	92.2	Very high	82.8	Confident	0 Å²	0	42.4 Å²	42.4	0%	0	26%	0.255	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.8	141.3	177.7	179.9	0	0	0	0	109	I548 T557 I560 E561 V587 Y588 A589	I548-V575 HydrophobicContact CD1-CG1 3.85Å; T557-V575 WeakPolarHBondContact CB-O 3.45Å; T557-V575 HydrophobicContact CG2-CB 4.23Å; T557-V575 HydrophobicContact CG2-CG1 4.16Å; T557-V575 WeakPolarHBondContact CG2-O 3.4Å; I560-V575 HydrophobicContact CB-CG1 4.29Å; I560-V575 HydrophobicContact CB-CG2 4.15Å; I560-V575 HydrophobicContact CD1-CG1 4.1Å; I560-V575 HydrophobicContact CG2-CG1 4.28Å; I560-V575 HydrophobicContact CG2-CG2 3.86Å; E561-V575 HydrophobicContact CG-CB 3.89Å; E561-V575 HydrophobicContact CG-CG2 3.59Å; E561-V575 PolarHBondContact OE1-N 2.76Å; V575-V587 HydrophobicContact CG1-CG1 3.62Å; V575-Y588 WeakPolarHBondContact CA-O 3.44Å; V575-A589 HydrophobicContact CG2-CB 4.06Å
576	I	92.1	Very high	82.6	Confident	0 Å²	0	41 Å²	41	0%	0	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.5	159	172.3	65.6	169.3	0	0	0	110.3	I548 Y588 F590 R641 L644 R645 V648	I548-I576 WeakPolarHBondContact CD1-O 3.46Å; I576-Y588 PolarHBondContact N-O 2.78Å; I576-Y588 PolarHBondContact O-N 2.75Å; I576-F590 HydrophobicContact CD1-CE2 3.86Å; I576-F590 HydrophobicContact CD1-CZ 4.26Å; I576-F590 HydrophobicContact CG1-CE2 3.93Å; I576-R641 HydrophobicContact CG2-CB 4.2Å; I576-R641 HydrophobicContact CG2-CG 4.39Å; I576-L644 HydrophobicContact CD1-CB 4.29Å; I576-L644 HydrophobicContact CG2-CB 4.18Å; I576-R645 HydrophobicContact CD1-CB 4.13Å; I576-R645 HydrophobicContact CD1-CG 4.39Å; I576-V648 HydrophobicContact CD1-CB 4.06Å; I576-V648 HydrophobicContact CD1-CG2 3.89Å
577	G	87.7	Confident	83.1	Confident	2 Å²	2	35.8 Å²	35.8	2%	0.021	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.2	139.7	164.4	0	0	0	0	0	110.7	G586	G577-G586 WeakPolarHBondContact CA-O 3.29Å
578	Y	87.4	Confident	83.4	Confident	30 Å²	30	35.7 Å²	35.7	12%	0.118	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.3	160	170.2	77.6	-80.3	0	0	0	110.5	H580 Q585 G586 Y588 D623 F624 V648	Y578-H580 HydrophobicContact CE2-CB 4.26Å; Y578-H580 PolarHBondContact O-N 2.79Å; Y578-H580 PolarHBondContact OH-CD2 2.65Å; Y578-H580 VanDerWaalsContact OH-CD2 3.28Å; Y578-Q585 CarbonylContact O-C 3.51Å; Y578-Q585 WeakPolarHBondContact O-CA 3.3Å; Y578-Q585 WeakPolarHBondContact O-CB 3.19Å; Y578-G586 WeakPolarHBondContact CD1-O 3.43Å; Y578-G586 PolarHBondContact N-O 2.91Å; Y578-G586 PolarHBondContact O-N 3.24Å; Y578-Y588 HydrophobicContact CD1-CD2 4.4Å; Y578-D623 HydrophobicContact CE1-CB 3.92Å; Y578-D623 WeakPolarHBondContact CE1-OD2 3.34Å; Y578-D623 VanDerWaalsContact OH-CB 3.25Å; Y578-D623 WeakPolarHBondContact OH-CB 3.31Å; Y578-D623 VanDerWaalsContact OH-CG 3.29Å; Y578-D623 PolarHBondContact OH-OD2 3.34Å; Y578-F624 AromaticContact CE1-CD2 3.93Å; Y578-F624 HydrophobicContact CE1-CD2 3.93Å; Y578-F624 HydrophobicContact CE1-CE2 4.21Å; Y578-F624 HydrophobicContact CE2-CD2 4.4Å; Y578-F624 AromaticContact CE2-CE2 3.92Å; Y578-F624 HydrophobicContact CE2-CE2 3.92Å; Y578-F624 AromaticContact CZ-CD2 3.84Å; Y578-F624 AromaticContact CZ-CE2 3.64Å; Y578-V648 HydrophobicContact CG-CG1 4.24Å
579	S	77.9	Confident	83.8	Confident	98 Å²	98	31.1 Å²	31.1	69%	0.685	19%	0.19	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-68.4	126.4	179.3	-167.2	0	0	0	0	111.3
580	H	80.5	Confident	84.1	Confident	37 Å²	37	30.8 Å²	30.8	17%	0.171	19%	0.188	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.7	125.3	178.4	-172.1	-33.8	0	0	0	110.2	Y578 I582 K583 G584 D623	Y578-H580 HydrophobicContact CE2-CB 4.26Å; Y578-H580 PolarHBondContact O-N 2.79Å; Y578-H580 PolarHBondContact OH-CD2 2.65Å; Y578-H580 VanDerWaalsContact OH-CD2 3.28Å; H580-I582 PolarHBondContact ND1-N 2.74Å; H580-I582 VanDerWaalsContact ND1-N 3.16Å; H580-I582 PolarHBondContact O-N 3.18Å; H580-K583 HydrophobicContact CB-CB 4.23Å; H580-G584 PolarHBondContact N-O 3.47Å; H580-G584 CarbonylContact O-C 3.54Å; H580-G584 WeakPolarHBondContact O-CA 3.29Å; H580-G584 PolarHBondContact O-N 2.73Å; H580-D623 IonicContact CD2-OD2 3.53Å
581	S	62	Low	84.3	Confident	121 Å²	121	30.7 Å²	30.7	85%	0.846	19%	0.187	S	C	*	.	T	Hydrogen-bonded Turn	trans	-57.8	-15.8	-176.5	54.1	0	0	0	0	116.5
582	I	61.7	Low	84.7	Confident	146 Å²	146	29.9 Å²	29.9	75%	0.749	18%	0.18	S	C	*	.	T	Hydrogen-bonded Turn	trans	-117.6	-49.6	-176.4	-58.3	175.6	0	0	0	110.1	H580 G584	H580-I582 PolarHBondContact ND1-N 2.74Å; H580-I582 VanDerWaalsContact ND1-N 3.16Å; H580-I582 PolarHBondContact O-N 3.18Å; I582-G584 VanDerWaalsContact C-N 3.28Å; I582-G584 PolarHBondContact O-N 2.9Å
583	K	63.1	Low	84.7	Confident	56 Å²	56	31.4 Å²	31.4	24%	0.243	19%	0.188	C	C	.	.	T	Hydrogen-bonded Turn	trans	-80.7	-7.4	-176.1	-56.2	-178.3	-173.8	179.7	0	113.4	V550 S551 H580 Q585 D623	V550-K583 HydrophobicContact CG1-CB 4.1Å; V550-K583 HydrophobicContact CG1-CD 3.75Å; V550-K583 HydrophobicContact CG1-CG 4.38Å; S551-K583 PolarHBondContact N-O 3.31Å; H580-K583 HydrophobicContact CB-CB 4.23Å; K583-Q585 VanDerWaalsContact CB-O 3.24Å; K583-Q585 WeakPolarHBondContact CB-O 3.01Å; K583-Q585 PolarHBondContact O-N 3.31Å; K583-D623 IonicContact NZ-OD1 3.49Å; K583-D623 PolarHBondContact NZ-OD1 2.8Å; K583-D623 IonicContact NZ-OD2 3.89Å
584	G	66.4	Low	84.5	Confident	48 Å²	48	35.6 Å²	35.6	50%	0.495	21%	0.206	S	C	.	.	E	Extended strand (participates in β ladder)	trans	78.3	-65.3	-165.8	0	0	0	0	0	110.3	H580 I582	H580-G584 PolarHBondContact N-O 3.47Å; H580-G584 CarbonylContact O-C 3.54Å; H580-G584 WeakPolarHBondContact O-CA 3.29Å; H580-G584 PolarHBondContact O-N 2.73Å; I582-G584 VanDerWaalsContact C-N 3.28Å; I582-G584 PolarHBondContact O-N 2.9Å
585	Q	74.6	Confident	84	Confident	59 Å²	59	45.9 Å²	45.9	28%	0.276	25%	0.251	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.7	143.5	166.2	-58.3	-178.6	-40.3	0	0	111.6	I548 N549 Y578 K583	I548-Q585 HydrophobicContact CG2-CB 3.84Å; N549-Q585 WeakPolarHBondContact O-CB 3.38Å; N549-Q585 PolarHBondContact O-N 3.13Å; Y578-Q585 CarbonylContact O-C 3.51Å; Y578-Q585 WeakPolarHBondContact O-CA 3.3Å; Y578-Q585 WeakPolarHBondContact O-CB 3.19Å; K583-Q585 VanDerWaalsContact CB-O 3.24Å; K583-Q585 WeakPolarHBondContact CB-O 3.01Å; K583-Q585 PolarHBondContact O-N 3.31Å
586	G	84.5	Confident	83.4	Confident	0 Å²	0	49.6 Å²	49.6	0%	0	29%	0.288	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.8	170.5	168.8	0	0	0	0	0	111.4	G577 Y578 D623	G577-G586 WeakPolarHBondContact CA-O 3.29Å; Y578-G586 WeakPolarHBondContact CD1-O 3.43Å; Y578-G586 PolarHBondContact N-O 2.91Å; Y578-G586 PolarHBondContact O-N 3.24Å; G586-D623 WeakPolarHBondContact CA-OD2 3.5Å
587	V	92.3	Very high	82.9	Confident	1 Å²	1	51.5 Å²	51.5	1%	0.006	30%	0.3	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.2	126.8	-179.5	179.3	0	0	0	0	109.5	I548 V550 I560 V575 P622 D623 F624	I548-V587 HydrophobicContact CD1-CG1 4.36Å; I548-V587 HydrophobicContact CD1-CG2 4.18Å; I548-V587 HydrophobicContact CG2-CG2 4.42Å; V550-V587 HydrophobicContact CG2-CG2 3.7Å; I560-V587 HydrophobicContact CD1-CG1 3.84Å; I560-V587 HydrophobicContact CD1-CG2 4.13Å; V575-V587 HydrophobicContact CG1-CG1 3.62Å; V587-P622 HydrophobicContact CG1-CB 4.21Å; V587-P622 HydrophobicContact CG1-CG 4.05Å; V587-D623 PolarHBondContact N-OD2 3.19Å; V587-D623 PolarHBondContact O-N 3.2Å; V587-F624 PolarHBondContact O-N 3.02Å
588	Y	96.3	Very high	82.3	Confident	0 Å²	0	59.3 Å²	59.3	0%	0	34%	0.342	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.8	122	174	-157.7	-68.8	0	0	0	109.4	V575 I576 Y578 F590 F624 Q626 V648 H674 L677	V575-Y588 WeakPolarHBondContact CA-O 3.44Å; I576-Y588 PolarHBondContact N-O 2.78Å; I576-Y588 PolarHBondContact O-N 2.75Å; Y578-Y588 HydrophobicContact CD1-CD2 4.4Å; Y588-F590 HydrophobicContact CD1-CD1 4.36Å; Y588-F590 HydrophobicContact CD1-CD2 4.06Å; Y588-F590 AromaticContact CD1-CE1 3.93Å; Y588-F590 HydrophobicContact CD1-CE1 3.93Å; Y588-F590 AromaticContact CD1-CE2 3.59Å; Y588-F590 HydrophobicContact CD1-CE2 3.59Å; Y588-F590 HydrophobicContact CD1-CG 4.43Å; Y588-F590 AromaticContact CD1-CZ 3.53Å; Y588-F590 HydrophobicContact CD1-CZ 3.53Å; Y588-F590 AromaticContact CE1-CD1 3.96Å; Y588-F590 HydrophobicContact CE1-CD1 3.96Å; Y588-F590 HydrophobicContact CE1-CD2 4.46Å; Y588-F590 AromaticContact CE1-CE1 3.47Å; Y588-F590 HydrophobicContact CE1-CE1 3.47Å; Y588-F590 VanDerWaalsContact CE1-CE1 3.47Å; Y588-F590 HydrophobicContact CE1-CE2 4.03Å; Y588-F590 HydrophobicContact CE1-CG 4.44Å; Y588-F590 AromaticContact CE1-CZ 3.52Å; Y588-F590 HydrophobicContact CE1-CZ 3.52Å; Y588-F590 HydrophobicContact CG-CE2 4.49Å; Y588-F590 HydrophobicContact CG-CZ 4.48Å; Y588-F624 HydrophobicContact CD1-CB 4.39Å; Y588-F624 HydrophobicContact CD2-CB 3.49Å; Y588-F624 VanDerWaalsContact CD2-CB 3.49Å; Y588-F624 AromaticContact CD2-CD2 3.7Å; Y588-F624 HydrophobicContact CD2-CD2 3.7Å; Y588-F624 AromaticContact CD2-CG 3.87Å; Y588-F624 HydrophobicContact CD2-CG 3.87Å; Y588-F624 HydrophobicContact CE1-CB 4.31Å; Y588-F624 HydrophobicContact CE2-CB 3.37Å; Y588-F624 HydrophobicContact CE2-CD1 4.48Å; Y588-F624 AromaticContact CE2-CD2 3.83Å; Y588-F624 HydrophobicContact CE2-CD2 3.83Å; Y588-F624 AromaticContact CE2-CG 3.65Å; Y588-F624 HydrophobicContact CE2-CG 3.65Å; Y588-F624 HydrophobicContact CG-CB 3.99Å; Y588-Q626 HydrophobicContact CE1-CB 3.72Å; Y588-Q626 PolarHBondContact OH-OE1 3.43Å; Y588-V648 HydrophobicContact CD1-CG2 4.23Å; Y588-V648 HydrophobicContact CD2-CG1 3.8Å; Y588-V648 HydrophobicContact CD2-CG2 3.92Å; Y588-V648 HydrophobicContact CE1-CG2 4.2Å; Y588-V648 HydrophobicContact CE2-CG1 4.16Å; Y588-V648 HydrophobicContact CE2-CG2 3.91Å; Y588-V648 HydrophobicContact CG-CG1 4.46Å; Y588-V648 HydrophobicContact CG-CG2 4.11Å; Y588-H674 AromaticContact CE2-CE1 3.74Å; Y588-H674 AromaticContact CE2-ND1 3.55Å; Y588-H674 AromaticContact CZ-ND1 3.52Å; Y588-H674 PolarHBondContact OH-ND1 3.22Å; Y588-L677 WeakPolarHBondContact OH-CD1 3.31Å
589	A	96.3	Very high	81.9	Confident	1 Å²	1	62 Å²	62	1%	0.008	36%	0.356	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.9	126.6	179	0	0	0	0	0	111.1	V575 P622 F624 I625 Q626	V575-A589 HydrophobicContact CG2-CB 4.06Å; A589-P622 HydrophobicContact CB-CB 3.83Å; A589-P622 HydrophobicContact CB-CG 3.69Å; A589-F624 PolarHBondContact N-O 3.41Å; A589-I625 HydrophobicContact CB-CG1 4.4Å; A589-I625 CarbonylContact O-C 3.6Å; A589-I625 VanDerWaalsContact O-CA 3.31Å; A589-I625 WeakPolarHBondContact O-CA 3.46Å; A589-Q626 PolarHBondContact O-N 2.82Å
590	F	97.1	Very high	82.4	Confident	0 Å²	0	64 Å²	64	0%	0	36%	0.355	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.3	128.4	167.8	-55.6	-91.3	0	0	0	108.4	S573 A574 I576 Y588 Q626 L631 L644 V648 I670	S573-F590 CarbonylContact C-O 3.53Å; S573-F590 WeakPolarHBondContact CA-O 3.35Å; S573-F590 WeakPolarHBondContact CB-O 3.24Å; A574-F590 HydrophobicContact CB-CB 4.42Å; A574-F590 HydrophobicContact CB-CD2 4.45Å; A574-F590 PolarHBondContact N-O 3.34Å; A574-F590 PolarHBondContact O-N 3.04Å; I576-F590 HydrophobicContact CD1-CE2 3.86Å; I576-F590 HydrophobicContact CD1-CZ 4.26Å; I576-F590 HydrophobicContact CG1-CE2 3.93Å; Y588-F590 HydrophobicContact CD1-CD1 4.36Å; Y588-F590 HydrophobicContact CD1-CD2 4.06Å; Y588-F590 AromaticContact CD1-CE1 3.93Å; Y588-F590 HydrophobicContact CD1-CE1 3.93Å; Y588-F590 AromaticContact CD1-CE2 3.59Å; Y588-F590 HydrophobicContact CD1-CE2 3.59Å; Y588-F590 HydrophobicContact CD1-CG 4.43Å; Y588-F590 AromaticContact CD1-CZ 3.53Å; Y588-F590 HydrophobicContact CD1-CZ 3.53Å; Y588-F590 AromaticContact CE1-CD1 3.96Å; Y588-F590 HydrophobicContact CE1-CD1 3.96Å; Y588-F590 HydrophobicContact CE1-CD2 4.46Å; Y588-F590 AromaticContact CE1-CE1 3.47Å; Y588-F590 HydrophobicContact CE1-CE1 3.47Å; Y588-F590 VanDerWaalsContact CE1-CE1 3.47Å; Y588-F590 HydrophobicContact CE1-CE2 4.03Å; Y588-F590 HydrophobicContact CE1-CG 4.44Å; Y588-F590 AromaticContact CE1-CZ 3.52Å; Y588-F590 HydrophobicContact CE1-CZ 3.52Å; Y588-F590 HydrophobicContact CG-CE2 4.49Å; Y588-F590 HydrophobicContact CG-CZ 4.48Å; F590-Q626 CarbonylContact C-O 3.48Å; F590-Q626 WeakPolarHBondContact CA-O 3.49Å; F590-Q626 HydrophobicContact CD1-CB 3.98Å; F590-Q626 HydrophobicContact CD1-CG 4.29Å; F590-Q626 HydrophobicContact CE1-CB 4.41Å; F590-L631 HydrophobicContact CB-CD2 3.5Å; F590-L631 VanDerWaalsContact CB-CD2 3.5Å; F590-L631 HydrophobicContact CG-CD2 4.35Å; F590-L644 HydrophobicContact CD1-CD2 4.27Å; F590-L644 HydrophobicContact CD2-CB 4.39Å; F590-L644 HydrophobicContact CD2-CD1 3.78Å; F590-L644 HydrophobicContact CD2-CD2 4.21Å; F590-L644 HydrophobicContact CD2-CG 4.36Å; F590-L644 HydrophobicContact CE1-CD2 4.13Å; F590-L644 HydrophobicContact CE2-CB 3.69Å; F590-L644 HydrophobicContact CE2-CD1 3.93Å; F590-L644 HydrophobicContact CE2-CD2 4.06Å; F590-L644 HydrophobicContact CE2-CG 4.1Å; F590-L644 HydrophobicContact CG-CD1 4.42Å; F590-L644 HydrophobicContact CG-CD2 4.3Å; F590-L644 HydrophobicContact CZ-CB 3.93Å; F590-L644 HydrophobicContact CZ-CD2 4.01Å; F590-L644 HydrophobicContact CZ-CG 4.42Å; F590-V648 HydrophobicContact CE1-CG2 4.49Å; F590-V648 HydrophobicContact CZ-CG2 3.69Å; F590-I670 HydrophobicContact CD1-CD1 3.64Å; F590-I670 HydrophobicContact CD1-CG2 4.28Å; F590-I670 HydrophobicContact CE1-CD1 4.1Å; F590-I670 HydrophobicContact CE1-CG2 3.64Å; F590-I670 HydrophobicContact CG-CD1 4.45Å; F590-I670 HydrophobicContact CZ-CG2 4.32Å
591	V	96.1	Very high	82.7	Confident	1 Å²	1	66.9 Å²	66.9	1%	0.006	37%	0.368	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.1	128	-172.6	179.5	0	0	0	0	109.8	V564 V570 L593 L608 I625 Q626 F627 A628	V564-V591 HydrophobicContact CG1-CG2 4Å; V570-V591 HydrophobicContact CB-CG1 4.39Å; V570-V591 HydrophobicContact CG1-CG1 3.98Å; V570-V591 HydrophobicContact CG2-CG1 3.66Å; V591-L593 HydrophobicContact CG1-CD2 3.9Å; V591-L608 HydrophobicContact CG1-CD1 4.33Å; V591-L608 HydrophobicContact CG2-CD1 4.17Å; V591-I625 HydrophobicContact CB-CG2 4.39Å; V591-I625 HydrophobicContact CG2-CG2 3.82Å; V591-Q626 PolarHBondContact N-O 3.24Å; V591-F627 HydrophobicContact CB-CD1 3.89Å; V591-F627 HydrophobicContact CB-CE1 4Å; V591-F627 HydrophobicContact CG1-CD1 3.96Å; V591-F627 HydrophobicContact CG1-CE1 3.85Å; V591-F627 VanDerWaalsContact O-CA 3.31Å; V591-F627 WeakPolarHBondContact O-CA 3.48Å; V591-A628 PolarHBondContact O-N 3.43Å
592	V	93.7	Very high	83.9	Confident	8 Å²	8	64.1 Å²	64.1	5%	0.048	35%	0.353	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.6	128	172.1	180	0	0	0	0	108.3	A571 E572 A628 K629 L631	A571-V592 HydrophobicContact CB-CG1 4.49Å; A571-V592 WeakPolarHBondContact CB-O 3.46Å; A571-V592 PolarHBondContact N-O 2.77Å; E572-V592 HydrophobicContact CG-CB 3.52Å; E572-V592 HydrophobicContact CG-CG1 4.18Å; E572-V592 HydrophobicContact CG-CG2 3.7Å; E572-V592 PolarHBondContact N-O 3.41Å; E572-V592 PolarHBondContact O-N 3.25Å; V592-A628 WeakPolarHBondContact CA-O 3.39Å; V592-K629 WeakPolarHBondContact CG1-O 3.26Å; V592-L631 HydrophobicContact CG2-CD1 4.39Å; V592-L631 HydrophobicContact CG2-CD2 4.38Å; V592-L631 HydrophobicContact CG2-CG 3.82Å
593	L	92.3	Very high	85.3	Confident	47 Å²	47	61.4 Å²	61.4	25%	0.246	34%	0.34	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.1	154.8	-177.3	-57.4	-178.7	0	0	0	112.2	A569 V570 V591 V597 L604 F627	A569-L593 CarbonylContact O-C 3.37Å; A569-L593 WeakPolarHBondContact O-CA 3.4Å; V570-L593 HydrophobicContact CG2-CD2 4.43Å; V591-L593 HydrophobicContact CG1-CD2 3.9Å; L593-V597 HydrophobicContact CB-CG2 4.49Å; L593-V597 HydrophobicContact CD1-CG1 4.46Å; L593-L604 HydrophobicContact CD1-CD2 3.99Å; L593-L604 HydrophobicContact CD2-CD2 3.38Å; L593-L604 HydrophobicContact CG-CD2 4.34Å; L593-F627 HydrophobicContact CD1-CD1 4.02Å; L593-F627 HydrophobicContact CD1-CE1 4.41Å; L593-F627 HydrophobicContact CD2-CD1 3.92Å; L593-F627 HydrophobicContact CD2-CE1 3.91Å; L593-F627 HydrophobicContact CG-CD1 3.96Å; L593-F627 HydrophobicContact CG-CE1 4.41Å
594	K	87.3	Confident	86.7	Confident	93 Å²	93	58.8 Å²	58.8	40%	0.404	33%	0.328	S	S	.	.	P	Polyproline II helix	trans	-67	155.8	167.2	-65.6	-177.2	-171.1	156.6	0	109.7	S568 A569 V570 A571 V597	S568-K594 VanDerWaalsContact O-CD 3.29Å; S568-K594 WeakPolarHBondContact O-CD 3.46Å; S568-K594 WeakPolarHBondContact O-CE 3.3Å; S568-K594 PolarHBondContact O-NZ 2.87Å; A569-K594 PolarHBondContact O-N 3.29Å; V570-K594 WeakPolarHBondContact O-CE 3.48Å; A571-K594 HydrophobicContact CB-CG 3.81Å; K594-V597 HydrophobicContact CB-CG2 4.27Å; K594-V597 WeakPolarHBondContact O-CG2 3.32Å
595	K	83.1	Confident	88	Confident	216 Å²	216	57.7 Å²	57.7	94%	0.939	31%	0.313	S	S	*	.	T	Hydrogen-bonded Turn	trans	-65.5	139.8	175.4	-70.1	-173.2	178.2	-177.6	0	110.2
596	G	78.1	Confident	88.9	Confident	77 Å²	77	61.8 Å²	61.8	79%	0.794	33%	0.33	S	S	*	.	T	Hydrogen-bonded Turn	trans	79.5	23	174.8	0	0	0	0	0	115	D598	G596-D598 PolarHBondContact O-N 2.85Å
597	V	82	Confident	89.3	Confident	41 Å²	41	65.4 Å²	65.4	25%	0.248	35%	0.347	C	S	.	.			trans	-79	113	171.1	173.9	0	0	0	0	109	A569 L593 K594 M599	A569-V597 HydrophobicContact CB-CG1 3.96Å; A569-V597 HydrophobicContact CB-CG2 3.95Å; L593-V597 HydrophobicContact CB-CG2 4.49Å; L593-V597 HydrophobicContact CD1-CG1 4.46Å; K594-V597 HydrophobicContact CB-CG2 4.27Å; K594-V597 WeakPolarHBondContact O-CG2 3.32Å; V597-M599 VanDerWaalsContact C-N 3.34Å; V597-M599 HydrophobicContact CG1-CB 4.03Å; V597-M599 HydrophobicContact CG1-CG 4.45Å
598	D	75.3	Confident	89.4	Confident	166 Å²	166	65.4 Å²	65.4	89%	0.888	35%	0.347	S	S	*	.			trans	-94.5	27.3	179.4	-86.7	-22.2	0	0	0	113.2	G596	G596-D598 PolarHBondContact O-N 2.85Å
599	M	79.9	Confident	89.2	Confident	85 Å²	85	67.7 Å²	67.7	42%	0.419	36%	0.359	S	S	.	.	S	Bend	trans	-96.8	141.1	177.1	-70.4	179.9	67.7	0	0	111.3	V597 L604 E607	V597-M599 VanDerWaalsContact C-N 3.34Å; V597-M599 HydrophobicContact CG1-CB 4.03Å; V597-M599 HydrophobicContact CG1-CG 4.45Å; M599-L604 HydrophobicContact CE-CD1 4.12Å; M599-L604 HydrophobicContact SD-CD1 4.39Å; M599-E607 WeakPolarHBondContact CE-OE2 3.47Å
600	Q	87.6	Confident	88.7	Confident	142 Å²	142	71 Å²	71	66%	0.664	38%	0.383	S	S	*	.			trans	-67.7	134.3	172.2	-68.2	-64.8	-34.9	0	0	110.1	A602 D603 L604	Q600-A602 PolarHBondContact O-N 2.99Å; Q600-A602 VanDerWaalsContact O-N 3.13Å; Q600-D603 PolarHBondContact O-N 2.86Å; Q600-L604 PolarHBondContact O-N 2.84Å; Q600-L604 VanDerWaalsContact O-N 3.07Å
601	E	87.2	Confident	88.3	Confident	96 Å²	96	72.5 Å²	72.5	45%	0.449	39%	0.39	S	S	.	.	H	α-helix	trans	-52.1	-38.9	-178.3	-73.6	-177.4	179.1	0	0	112.5	D603 L604 S605 F627	E601-D603 PolarHBondContact O-N 3.36Å; E601-L604 PolarHBondContact O-N 2.62Å; E601-S605 WeakPolarHBondContact O-CB 3.48Å; E601-S605 PolarHBondContact O-N 2.85Å; E601-S605 PolarHBondContact O-OG 3.41Å; E601-S605 VanDerWaalsContact O-OG 3.08Å; E601-F627 HydrophobicContact CB-CD2 3.64Å; E601-F627 HydrophobicContact CB-CE2 3.57Å; E601-F627 HydrophobicContact CB-CZ 4.47Å; E601-F627 HydrophobicContact CG-CB 4.42Å; E601-F627 HydrophobicContact CG-CD2 3.5Å; E601-F627 HydrophobicContact CG-CE2 3.91Å; E601-F627 HydrophobicContact CG-CG 4.01Å; E601-F627 WeakPolarHBondContact O-CE2 3.5Å
602	A	87	Confident	87.4	Confident	64 Å²	64	72.4 Å²	72.4	53%	0.529	39%	0.39	S	S	.	.	H	α-helix	trans	-65.7	-37.5	-179.9	0	0	0	0	0	113.4	Q600 K606	Q600-A602 PolarHBondContact O-N 2.99Å; Q600-A602 VanDerWaalsContact O-N 3.13Å; A602-K606 WeakPolarHBondContact O-CG 3.26Å; A602-K606 PolarHBondContact O-N 2.78Å
603	D	90.9	Very high	86.4	Confident	89 Å²	89	73.8 Å²	73.8	48%	0.476	40%	0.4	S	S	.	.	H	α-helix	trans	-74.3	-38.9	177.8	-65.2	-38	0	0	0	110.4	Q600 E601 K606 E607	Q600-D603 PolarHBondContact O-N 2.86Å; E601-D603 PolarHBondContact O-N 3.36Å; D603-K606 WeakPolarHBondContact O-CB 2.98Å; D603-K606 PolarHBondContact O-N 2.83Å; D603-E607 PolarHBondContact O-N 2.83Å
604	L	92.5	Very high	85.2	Confident	0 Å²	0	79 Å²	79	0%	0	42%	0.423	C	S	.	.	H	α-helix	trans	-65.4	-40.1	175.5	-170.5	61.9	0	0	0	112.1	A569 L593 M599 Q600 E601 K606 E607 L608 F627	A569-L604 HydrophobicContact CB-CD1 3.98Å; A569-L604 HydrophobicContact CB-CD2 4.19Å; L593-L604 HydrophobicContact CD1-CD2 3.99Å; L593-L604 HydrophobicContact CD2-CD2 3.38Å; L593-L604 HydrophobicContact CG-CD2 4.34Å; M599-L604 HydrophobicContact CE-CD1 4.12Å; M599-L604 HydrophobicContact SD-CD1 4.39Å; Q600-L604 PolarHBondContact O-N 2.84Å; Q600-L604 VanDerWaalsContact O-N 3.07Å; E601-L604 PolarHBondContact O-N 2.62Å; L604-K606 VanDerWaalsContact C-N 3.28Å; L604-K606 PolarHBondContact O-N 3.17Å; L604-E607 PolarHBondContact O-N 2.85Å; L604-L608 HydrophobicContact CG-CD1 4.36Å; L604-L608 HydrophobicContact CG-CG 4.46Å; L604-L608 VanDerWaalsContact O-CG 3.3Å; L604-L608 WeakPolarHBondContact O-CG 3.44Å; L604-L608 PolarHBondContact O-N 2.84Å; L604-F627 HydrophobicContact CB-CZ 4.19Å; L604-F627 HydrophobicContact CD2-CE1 3.73Å; L604-F627 HydrophobicContact CD2-CZ 4.07Å; L604-F627 HydrophobicContact CG-CE1 4.26Å; L604-F627 HydrophobicContact CG-CZ 4.19Å
605	S	93.6	Very high	84.1	Confident	26 Å²	26	79.7 Å²	79.7	18%	0.182	43%	0.425	C	S	.	.	H	α-helix	trans	-58.8	-39	173.1	-68.2	0	0	0	0	112.5	E601 N609 F627	E601-S605 WeakPolarHBondContact O-CB 3.48Å; E601-S605 PolarHBondContact O-N 2.85Å; E601-S605 PolarHBondContact O-OG 3.41Å; E601-S605 VanDerWaalsContact O-OG 3.08Å; S605-N609 WeakPolarHBondContact O-CB 3.21Å; S605-N609 PolarHBondContact O-N 2.65Å; S605-F627 VanDerWaalsContact OG-CE2 3.3Å; S605-F627 WeakPolarHBondContact OG-CE2 3.38Å
606	K	93.4	Very high	83.3	Confident	144 Å²	144	70.9 Å²	70.9	63%	0.626	39%	0.389	S	S	*	.	H	α-helix	trans	-66.9	-42.5	175.9	-70.9	172.6	-172.2	166.2	0	111.6	A602 D603 L604 N609 S610	A602-K606 WeakPolarHBondContact O-CG 3.26Å; A602-K606 PolarHBondContact O-N 2.78Å; D603-K606 WeakPolarHBondContact O-CB 2.98Å; D603-K606 PolarHBondContact O-N 2.83Å; L604-K606 VanDerWaalsContact C-N 3.28Å; L604-K606 PolarHBondContact O-N 3.17Å; K606-N609 PolarHBondContact O-N 2.65Å; K606-S610 WeakPolarHBondContact O-CB 3.41Å; K606-S610 PolarHBondContact O-N 3.31Å
607	E	93.7	Very high	82.6	Confident	76 Å²	76	68 Å²	68	36%	0.355	36%	0.357	S	S	.	.	H	α-helix	trans	-60.7	-49.8	176.6	-174.2	179.8	171.8	0	0	111.2	M599 D603 L604 N609 S610 M611	M599-E607 WeakPolarHBondContact CE-OE2 3.47Å; D603-E607 PolarHBondContact O-N 2.83Å; L604-E607 PolarHBondContact O-N 2.85Å; E607-N609 PolarHBondContact O-N 3.31Å; E607-S610 WeakPolarHBondContact O-CB 3.34Å; E607-S610 PolarHBondContact O-N 3.09Å; E607-S610 VanDerWaalsContact O-N 3.09Å; E607-M611 WeakPolarHBondContact O-CG 3.33Å; E607-M611 PolarHBondContact O-N 2.75Å
608	L	93.6	Very high	82	Confident	1 Å²	1	74.6 Å²	74.6	1%	0.005	38%	0.382	C	S	.	.	H	α-helix	trans	-59.1	-44.6	177.8	-68	177.7	0	0	0	112	V564 C567 V570 V591 L604 S610 M611 V612 I625 F627	V564-L608 HydrophobicContact CG1-CD1 4.44Å; V564-L608 HydrophobicContact CG1-CD2 4.19Å; C567-L608 HydrophobicContact CB-CD2 3.48Å; C567-L608 VanDerWaalsContact CB-CD2 3.48Å; V570-L608 HydrophobicContact CG2-CD1 4.35Å; V570-L608 HydrophobicContact CG2-CD2 3.92Å; V591-L608 HydrophobicContact CG1-CD1 4.33Å; V591-L608 HydrophobicContact CG2-CD1 4.17Å; L604-L608 HydrophobicContact CG-CD1 4.36Å; L604-L608 HydrophobicContact CG-CG 4.46Å; L604-L608 VanDerWaalsContact O-CG 3.3Å; L604-L608 WeakPolarHBondContact O-CG 3.44Å; L604-L608 PolarHBondContact O-N 2.84Å; L608-S610 VanDerWaalsContact C-N 3.32Å; L608-S610 PolarHBondContact O-N 3.12Å; L608-M611 PolarHBondContact O-N 2.81Å; L608-V612 WeakPolarHBondContact O-CG2 3.37Å; L608-V612 PolarHBondContact O-N 3.4Å; L608-I625 HydrophobicContact CB-CD1 4.08Å; L608-I625 HydrophobicContact CD1-CD1 4.4Å; L608-I625 HydrophobicContact CD1-CG2 4.36Å; L608-F627 HydrophobicContact CD1-CE1 4.39Å
609	N	92	Very high	81.8	Confident	48 Å²	48	71.4 Å²	71.4	26%	0.257	36%	0.359	S	S	.	.	H	α-helix	trans	-63.9	-36.5	175.2	-87	-26.5	0	0	0	112.7	S605 K606 E607 S613 C621 P622	S605-N609 WeakPolarHBondContact O-CB 3.21Å; S605-N609 PolarHBondContact O-N 2.65Å; K606-N609 PolarHBondContact O-N 2.65Å; E607-N609 PolarHBondContact O-N 3.31Å; N609-S613 VanDerWaalsContact O-CB 3.3Å; N609-S613 WeakPolarHBondContact O-CB 3.5Å; N609-S613 PolarHBondContact O-N 2.86Å; N609-C621 PolarHBondContact O-SG 2.93Å; N609-C621 VanDerWaalsContact O-SG 3.37Å; N609-P622 PolarHBondContact ND2-O 3.36Å; N609-P622 WeakPolarHBondContact OD1-CD 3.14Å; N609-P622 PolarHBondContact OD1-O 2.96Å
610	S	86.4	Confident	81.5	Confident	72 Å²	72	67.4 Å²	67.4	50%	0.503	34%	0.339	S	S	.	.	H	α-helix	trans	-64	-44.9	174.5	-167.9	0	0	0	0	111.2	K606 E607 L608 S613 E614	K606-S610 WeakPolarHBondContact O-CB 3.41Å; K606-S610 PolarHBondContact O-N 3.31Å; E607-S610 WeakPolarHBondContact O-CB 3.34Å; E607-S610 PolarHBondContact O-N 3.09Å; E607-S610 VanDerWaalsContact O-N 3.09Å; L608-S610 VanDerWaalsContact C-N 3.32Å; L608-S610 PolarHBondContact O-N 3.12Å; S610-S613 PolarHBondContact O-N 3.1Å; S610-E614 WeakPolarHBondContact O-CB 3.46Å; S610-E614 PolarHBondContact O-N 2.86Å
611	M	87.8	Confident	81.5	Confident	30 Å²	30	61.8 Å²	61.8	15%	0.148	32%	0.315	C	S	.	.	H	α-helix	trans	-60.8	-46	177.7	-69.2	179	65.8	0	0	112	V563 Q566 C567 E607 L608 E614 K615	V563-M611 HydrophobicContact CG1-CB 4.01Å; Q566-M611 HydrophobicContact CB-CE 4.07Å; C567-M611 HydrophobicContact CB-CE 4.22Å; C567-M611 HydrophobicContact CB-SD 3.87Å; E607-M611 WeakPolarHBondContact O-CG 3.33Å; E607-M611 PolarHBondContact O-N 2.75Å; L608-M611 PolarHBondContact O-N 2.81Å; M611-E614 PolarHBondContact O-N 3.25Å; M611-K615 WeakPolarHBondContact O-CB 3.38Å; M611-K615 PolarHBondContact O-N 2.63Å
612	V	78.4	Confident	81.9	Confident	0 Å²	0	57.5 Å²	57.5	0%	0	30%	0.296	C	S	.	.	H	α-helix	trans	-64.1	-42.5	177.3	173.2	0	0	0	0	111.1	I560 V563 V564 L608 E614 I616 A617 A620	I560-V612 HydrophobicContact CG2-CG1 4.5Å; I560-V612 HydrophobicContact CG2-CG2 4.26Å; V563-V612 HydrophobicContact CB-CG2 4.39Å; V563-V612 HydrophobicContact CG1-CB 4.47Å; V563-V612 HydrophobicContact CG1-CG2 3.88Å; V564-V612 HydrophobicContact CG2-CG2 3.92Å; L608-V612 WeakPolarHBondContact O-CG2 3.37Å; L608-V612 PolarHBondContact O-N 3.4Å; V612-E614 VanDerWaalsContact C-N 3.29Å; V612-E614 PolarHBondContact O-N 3.04Å; V612-I616 HydrophobicContact CG1-CD1 4.31Å; V612-I616 WeakPolarHBondContact O-CA 3.41Å; V612-I616 WeakPolarHBondContact O-CB 3.46Å; V612-I616 PolarHBondContact O-N 2.89Å; V612-A617 PolarHBondContact O-N 3.26Å; V612-A620 HydrophobicContact CG1-CB 3.88Å; V612-A620 WeakPolarHBondContact CG1-O 3.43Å
613	S	72.2	Confident	82.1	Confident	37 Å²	37	57 Å²	57	26%	0.259	28%	0.284	S	S	.	.	H	α-helix	trans	-62.1	-36.6	177.4	-179.1	0	0	0	0	113.1	N609 S610 K618	N609-S613 VanDerWaalsContact O-CB 3.3Å; N609-S613 WeakPolarHBondContact O-CB 3.5Å; N609-S613 PolarHBondContact O-N 2.86Å; S610-S613 PolarHBondContact O-N 3.1Å; S613-K618 WeakPolarHBondContact OG-CG 3.15Å
614	E	67.8	Low	82.3	Confident	157 Å²	157	55.6 Å²	55.6	73%	0.734	27%	0.274	S	S	*	.	H	α-helix	trans	-79.5	-41.9	-177	-174.7	179.2	-177.7	0	0	111.9	S610 M611 V612	S610-E614 WeakPolarHBondContact O-CB 3.46Å; S610-E614 PolarHBondContact O-N 2.86Å; M611-E614 PolarHBondContact O-N 3.25Å; V612-E614 VanDerWaalsContact C-N 3.29Å; V612-E614 PolarHBondContact O-N 3.04Å
615	K	64	Low	82.5	Confident	106 Å²	106	56.4 Å²	56.4	46%	0.461	28%	0.278	S	S	.	.	H	α-helix	trans	-89.3	-27.4	-173.8	-66.7	-175.2	179.3	175.7	0	114.3	V563 M611	V563-K615 HydrophobicContact CG1-CB 4.16Å; V563-K615 HydrophobicContact CG1-CD 3.97Å; V563-K615 HydrophobicContact CG2-CB 3.8Å; V563-K615 HydrophobicContact CG2-CD 4.13Å; M611-K615 WeakPolarHBondContact O-CB 3.38Å; M611-K615 PolarHBondContact O-N 2.63Å
616	I	65.7	Low	82.6	Confident	32 Å²	32	55.3 Å²	55.3	16%	0.164	27%	0.27	C	S	.	.	T	Hydrogen-bonded Turn	trans	-114.9	-81.5	179.5	-52.9	177	0	0	0	108.5	E559 I560 V563 V612 A620	E559-I616 HydrophobicContact CB-CD1 4.46Å; E559-I616 HydrophobicContact CG-CD1 3.89Å; E559-I616 HydrophobicContact CG-CG1 4.31Å; E559-I616 WeakPolarHBondContact O-CD1 3.29Å; I560-I616 HydrophobicContact CB-CD1 4.4Å; I560-I616 HydrophobicContact CG1-CD1 4.01Å; V563-I616 HydrophobicContact CB-CD1 4.3Å; V563-I616 HydrophobicContact CG2-CD1 3.83Å; V563-I616 HydrophobicContact CG2-CG1 3.84Å; V612-I616 HydrophobicContact CG1-CD1 4.31Å; V612-I616 WeakPolarHBondContact O-CA 3.41Å; V612-I616 WeakPolarHBondContact O-CB 3.46Å; V612-I616 PolarHBondContact O-N 2.89Å; I616-A620 HydrophobicContact CB-CB 3.99Å; I616-A620 HydrophobicContact CG2-CB 3.53Å
617	A	63.2	Low	82.6	Confident	17 Å²	17	50 Å²	50	14%	0.14	25%	0.247	C	C	.	.			trans	-177.8	162.1	177	0	0	0	0	0	110.9	V612 Y619 A620	V612-A617 PolarHBondContact O-N 3.26Å; A617-Y619 HydrophobicContact CB-CD1 3.55Å; A617-Y619 HydrophobicContact CB-CD2 4.19Å; A617-Y619 HydrophobicContact CB-CE1 3.18Å; A617-Y619 HydrophobicContact CB-CE2 3.87Å; A617-Y619 HydrophobicContact CB-CG 4.04Å; A617-Y619 PolarHBondContact O-N 3.43Å; A617-A620 WeakPolarHBondContact O-CB 3.45Å; A617-A620 PolarHBondContact O-N 2.91Å
618	K	70.8	Confident	82.6	Confident	178 Å²	178	46.9 Å²	46.9	77%	0.774	24%	0.235	S	C	*	.	G	3₁₀ helix	trans	-56.5	-33	174.3	-77.5	-174.3	176.5	-176.9	0	114.3	S613 A620 C621	S613-K618 WeakPolarHBondContact OG-CG 3.15Å; K618-A620 VanDerWaalsContact C-N 3.26Å; K618-A620 PolarHBondContact O-N 2.95Å; K618-C621 PolarHBondContact O-SG 2.84Å
619	Y	69.4	Low	82.3	Confident	100 Å²	100	55.2 Å²	55.2	39%	0.392	27%	0.271	S	S	.	.	G	3₁₀ helix	trans	-75.2	-16.3	-180	59.1	-106.9	0	0	0	112.8	V550 H553 I555 A617	V550-Y619 WeakPolarHBondContact CG1-O 3.19Å; H553-Y619 HydrophobicContact CB-CD2 3.89Å; H553-Y619 HydrophobicContact CB-CE2 3.75Å; H553-Y619 HydrophobicContact CB-CG 4.49Å; H553-Y619 AromaticContact CD2-CE1 3.95Å; H553-Y619 AromaticContact CD2-CZ 4Å; I555-Y619 HydrophobicContact CD1-CD2 3.55Å; I555-Y619 HydrophobicContact CD1-CE2 3.63Å; I555-Y619 HydrophobicContact CG1-CD2 4.4Å; I555-Y619 HydrophobicContact CG1-CE2 4.04Å; A617-Y619 HydrophobicContact CB-CD1 3.55Å; A617-Y619 HydrophobicContact CB-CD2 4.19Å; A617-Y619 HydrophobicContact CB-CE1 3.18Å; A617-Y619 HydrophobicContact CB-CE2 3.87Å; A617-Y619 HydrophobicContact CB-CG 4.04Å; A617-Y619 PolarHBondContact O-N 3.43Å
620	A	74.1	Confident	82.1	Confident	0 Å²	0	57.6 Å²	57.6	0%	0	28%	0.276	C	S	.	.	G	3₁₀ helix	trans	-87.3	-8.9	179	0	0	0	0	0	113.1	I555 I560 V612 I616 A617 K618 P622	I555-A620 HydrophobicContact CD1-CB 3.89Å; I560-A620 HydrophobicContact CG1-CB 4.49Å; V612-A620 HydrophobicContact CG1-CB 3.88Å; V612-A620 WeakPolarHBondContact CG1-O 3.43Å; I616-A620 HydrophobicContact CB-CB 3.99Å; I616-A620 HydrophobicContact CG2-CB 3.53Å; A617-A620 WeakPolarHBondContact O-CB 3.45Å; A617-A620 PolarHBondContact O-N 2.91Å; K618-A620 VanDerWaalsContact C-N 3.26Å; K618-A620 PolarHBondContact O-N 2.95Å; A620-P622 WeakPolarHBondContact O-CD 3.27Å
621	C	88.7	Confident	82.4	Confident	24 Å²	24	54.3 Å²	54.3	16%	0.162	25%	0.253	C	S	.	.	S	Bend	trans	-60.8	130.1	-178.6	-64.4	0	0	0	0	111.3	N609 K618 D623	N609-C621 PolarHBondContact O-SG 2.93Å; N609-C621 VanDerWaalsContact O-SG 3.37Å; K618-C621 PolarHBondContact O-SG 2.84Å; C621-D623 PolarHBondContact O-N 2.76Å
622	P	93.9	Very high	82.5	Confident	6 Å²	6	52.9 Å²	52.9	4%	0.039	25%	0.246	C	C	.	.			trans	-51.1	127.3	169.4	-29.2	34.4	0	0	0	113.2	I560 V587 A589 N609 A620 I625	I560-P622 HydrophobicContact CG2-CG 4.4Å; V587-P622 HydrophobicContact CG1-CB 4.21Å; V587-P622 HydrophobicContact CG1-CG 4.05Å; A589-P622 HydrophobicContact CB-CB 3.83Å; A589-P622 HydrophobicContact CB-CG 3.69Å; N609-P622 PolarHBondContact ND2-O 3.36Å; N609-P622 WeakPolarHBondContact OD1-CD 3.14Å; N609-P622 PolarHBondContact OD1-O 2.96Å; A620-P622 WeakPolarHBondContact O-CD 3.27Å; P622-I625 HydrophobicContact CB-CD1 4.2Å; P622-I625 HydrophobicContact CB-CG1 3.65Å; P622-I625 HydrophobicContact CG-CG1 4.31Å
623	D	92.4	Very high	82.8	Confident	53 Å²	53	54 Å²	54	28%	0.283	25%	0.251	S	S	.	.	S	Bend	trans	-71.5	-39	169.3	-61.5	-55.8	0	0	0	110.3	Y578 H580 K583 G586 V587 C621	Y578-D623 HydrophobicContact CE1-CB 3.92Å; Y578-D623 WeakPolarHBondContact CE1-OD2 3.34Å; Y578-D623 VanDerWaalsContact OH-CB 3.25Å; Y578-D623 WeakPolarHBondContact OH-CB 3.31Å; Y578-D623 VanDerWaalsContact OH-CG 3.29Å; Y578-D623 PolarHBondContact OH-OD2 3.34Å; H580-D623 IonicContact CD2-OD2 3.53Å; K583-D623 IonicContact NZ-OD1 3.49Å; K583-D623 PolarHBondContact NZ-OD1 2.8Å; K583-D623 IonicContact NZ-OD2 3.89Å; G586-D623 WeakPolarHBondContact CA-OD2 3.5Å; V587-D623 PolarHBondContact N-OD2 3.19Å; V587-D623 PolarHBondContact O-N 3.2Å; C621-D623 PolarHBondContact O-N 2.76Å
624	F	94.8	Very high	83	Confident	61 Å²	61	53 Å²	53	27%	0.268	24%	0.243	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.1	135	176	-63.3	-77	0	0	0	110	Y578 V587 Y588 A589	Y578-F624 AromaticContact CE1-CD2 3.93Å; Y578-F624 HydrophobicContact CE1-CD2 3.93Å; Y578-F624 HydrophobicContact CE1-CE2 4.21Å; Y578-F624 HydrophobicContact CE2-CD2 4.4Å; Y578-F624 AromaticContact CE2-CE2 3.92Å; Y578-F624 HydrophobicContact CE2-CE2 3.92Å; Y578-F624 AromaticContact CZ-CD2 3.84Å; Y578-F624 AromaticContact CZ-CE2 3.64Å; V587-F624 PolarHBondContact O-N 3.02Å; Y588-F624 HydrophobicContact CD1-CB 4.39Å; Y588-F624 HydrophobicContact CD2-CB 3.49Å; Y588-F624 VanDerWaalsContact CD2-CB 3.49Å; Y588-F624 AromaticContact CD2-CD2 3.7Å; Y588-F624 HydrophobicContact CD2-CD2 3.7Å; Y588-F624 AromaticContact CD2-CG 3.87Å; Y588-F624 HydrophobicContact CD2-CG 3.87Å; Y588-F624 HydrophobicContact CE1-CB 4.31Å; Y588-F624 HydrophobicContact CE2-CB 3.37Å; Y588-F624 HydrophobicContact CE2-CD1 4.48Å; Y588-F624 AromaticContact CE2-CD2 3.83Å; Y588-F624 HydrophobicContact CE2-CD2 3.83Å; Y588-F624 AromaticContact CE2-CG 3.65Å; Y588-F624 HydrophobicContact CE2-CG 3.65Å; Y588-F624 HydrophobicContact CG-CB 3.99Å; A589-F624 PolarHBondContact N-O 3.41Å
625	I	96.1	Very high	82.7	Confident	16 Å²	16	49.9 Å²	49.9	8%	0.082	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.8	109.5	169.4	-60.3	177.5	0	0	0	107.1	A589 V591 L608 P622 F627	A589-I625 HydrophobicContact CB-CG1 4.4Å; A589-I625 CarbonylContact O-C 3.6Å; A589-I625 VanDerWaalsContact O-CA 3.31Å; A589-I625 WeakPolarHBondContact O-CA 3.46Å; V591-I625 HydrophobicContact CB-CG2 4.39Å; V591-I625 HydrophobicContact CG2-CG2 3.82Å; L608-I625 HydrophobicContact CB-CD1 4.08Å; L608-I625 HydrophobicContact CD1-CD1 4.4Å; L608-I625 HydrophobicContact CD1-CG2 4.36Å; P622-I625 HydrophobicContact CB-CD1 4.2Å; P622-I625 HydrophobicContact CB-CG1 3.65Å; P622-I625 HydrophobicContact CG-CG1 4.31Å; I625-F627 HydrophobicContact CG2-CE1 4.08Å; I625-F627 HydrophobicContact CG2-CE2 3.95Å; I625-F627 HydrophobicContact CG2-CZ 3.71Å
626	Q	96.2	Very high	82.2	Confident	4 Å²	4	47.3 Å²	47.3	2%	0.019	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.9	114.3	176	-174.7	176.2	-20.8	0	0	110.2	Y588 A589 F590 V591 I670 G673 L677	Y588-Q626 HydrophobicContact CE1-CB 3.72Å; Y588-Q626 PolarHBondContact OH-OE1 3.43Å; A589-Q626 PolarHBondContact O-N 2.82Å; F590-Q626 CarbonylContact C-O 3.48Å; F590-Q626 WeakPolarHBondContact CA-O 3.49Å; F590-Q626 HydrophobicContact CD1-CB 3.98Å; F590-Q626 HydrophobicContact CD1-CG 4.29Å; F590-Q626 HydrophobicContact CE1-CB 4.41Å; V591-Q626 PolarHBondContact N-O 3.24Å; Q626-I670 PolarHBondContact NE2-O 2.9Å; Q626-G673 VanDerWaalsContact NE2-C 3.35Å; Q626-G673 VanDerWaalsContact NE2-CA 3.28Å; Q626-L677 HydrophobicContact CB-CD1 3.52Å; Q626-L677 HydrophobicContact CG-CD1 3.87Å
627	F	94.3	Very high	81.9	Confident	31 Å²	31	46.1 Å²	46.1	14%	0.136	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-79.6	128.4	170.3	-61.2	-76.3	0	0	0	110.1	V591 L593 E601 L604 S605 L608 I625	V591-F627 HydrophobicContact CB-CD1 3.89Å; V591-F627 HydrophobicContact CB-CE1 4Å; V591-F627 HydrophobicContact CG1-CD1 3.96Å; V591-F627 HydrophobicContact CG1-CE1 3.85Å; V591-F627 VanDerWaalsContact O-CA 3.31Å; V591-F627 WeakPolarHBondContact O-CA 3.48Å; L593-F627 HydrophobicContact CD1-CD1 4.02Å; L593-F627 HydrophobicContact CD1-CE1 4.41Å; L593-F627 HydrophobicContact CD2-CD1 3.92Å; L593-F627 HydrophobicContact CD2-CE1 3.91Å; L593-F627 HydrophobicContact CG-CD1 3.96Å; L593-F627 HydrophobicContact CG-CE1 4.41Å; E601-F627 HydrophobicContact CB-CD2 3.64Å; E601-F627 HydrophobicContact CB-CE2 3.57Å; E601-F627 HydrophobicContact CB-CZ 4.47Å; E601-F627 HydrophobicContact CG-CB 4.42Å; E601-F627 HydrophobicContact CG-CD2 3.5Å; E601-F627 HydrophobicContact CG-CE2 3.91Å; E601-F627 HydrophobicContact CG-CG 4.01Å; E601-F627 WeakPolarHBondContact O-CE2 3.5Å; L604-F627 HydrophobicContact CB-CZ 4.19Å; L604-F627 HydrophobicContact CD2-CE1 3.73Å; L604-F627 HydrophobicContact CD2-CZ 4.07Å; L604-F627 HydrophobicContact CG-CE1 4.26Å; L604-F627 HydrophobicContact CG-CZ 4.19Å; S605-F627 VanDerWaalsContact OG-CE2 3.3Å; S605-F627 WeakPolarHBondContact OG-CE2 3.38Å; L608-F627 HydrophobicContact CD1-CE1 4.39Å; I625-F627 HydrophobicContact CG2-CE1 4.08Å; I625-F627 HydrophobicContact CG2-CE2 3.95Å; I625-F627 HydrophobicContact CG2-CZ 3.71Å
628	A	92.1	Very high	82.5	Confident	12 Å²	12	50.5 Å²	50.5	10%	0.099	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.5	156.2	178.6	0	0	0	0	0	110	V591 V592 R630 I670	V591-A628 PolarHBondContact O-N 3.43Å; V592-A628 WeakPolarHBondContact CA-O 3.39Å; A628-R630 VanDerWaalsContact C-N 3.27Å; A628-R630 PolarHBondContact O-N 2.72Å; A628-I670 HydrophobicContact CB-CD1 3.89Å
629	K	88.9	Confident	83.2	Confident	175 Å²	175	42.9 Å²	42.9	76%	0.761	20%	0.199	S	C	*	.	S	Bend	trans	-73.8	-23.3	175	-60.8	167	-168.8	174.1	0	111.9	V592 E669	V592-K629 WeakPolarHBondContact CG1-O 3.26Å; K629-E669 WeakPolarHBondContact CA-OE1 3.46Å; K629-E669 WeakPolarHBondContact CB-OE1 3.12Å; K629-E669 VanDerWaalsContact CD-OE1 3.31Å; K629-E669 WeakPolarHBondContact CD-OE1 3.44Å; K629-E669 WeakPolarHBondContact CG-OE1 3.24Å; K629-E669 PolarHBondContact N-OE1 3.29Å
630	R	87.3	Confident	83.9	Confident	98 Å²	98	39.2 Å²	39.2	37%	0.37	19%	0.186	S	C	.	.			trans	-162.2	160.9	-177.7	58.5	-169.2	139	-173.7	8.7	111.6	A628 D663 A666 E669	A628-R630 VanDerWaalsContact C-N 3.27Å; A628-R630 PolarHBondContact O-N 2.72Å; R630-D663 IonicContact CZ-OD2 2.94Å; R630-D663 IonicContact NH1-OD2 3.75Å; R630-D663 PolarHBondContact NH1-OD2 3.45Å; R630-A666 HydrophobicContact CG-CB 3.86Å; R630-E669 IonicContact NE-OE2 2.92Å; R630-E669 PolarHBondContact NE-OE2 2.89Å
631	L	91.9	Very high	84.5	Confident	3 Å²	3	41.4 Å²	41.4	2%	0.016	19%	0.194	C	C	.	.			trans	-105	147.9	173	-63.1	170.3	0	0	0	111	E572 A574 F590 V592 K633 I639 I670	E572-L631 HydrophobicContact CG-CD1 4.05Å; A574-L631 HydrophobicContact CB-CD1 3.85Å; A574-L631 HydrophobicContact CB-CD2 4.16Å; F590-L631 HydrophobicContact CB-CD2 3.5Å; F590-L631 VanDerWaalsContact CB-CD2 3.5Å; F590-L631 HydrophobicContact CG-CD2 4.35Å; V592-L631 HydrophobicContact CG2-CD1 4.39Å; V592-L631 HydrophobicContact CG2-CD2 4.38Å; V592-L631 HydrophobicContact CG2-CG 3.82Å; L631-K633 PolarHBondContact O-N 2.84Å; L631-I639 HydrophobicContact CD1-CD1 3.93Å; L631-I639 HydrophobicContact CD1-CG1 4.35Å; L631-I670 HydrophobicContact CD2-CD1 4.49Å
632	P	89.5	Confident	84.3	Confident	0 Å²	0	45.1 Å²	45.1	0%	0	21%	0.205	C	C	.	.			trans	-68.4	112.5	174.8	28	-32.9	0	0	0	109.8	M640 L644 L661 A666 V667	P632-M640 PolarHBondContact O-N 2.78Å; P632-L644 HydrophobicContact CG-CD2 3.59Å; P632-L644 HydrophobicContact CG-CG 4.09Å; P632-L661 HydrophobicContact CB-CD2 3.8Å; P632-A666 HydrophobicContact CB-CB 4.18Å; P632-V667 HydrophobicContact CB-CG2 4.15Å
633	K	85	Confident	84	Confident	25 Å²	25	44.9 Å²	44.9	11%	0.109	20%	0.203	C	C	.	.	B	Isolated β-bridge	trans	-123.1	146.4	-177.1	-70.4	173.3	-175.1	173.7	0	111.3	E572 L631 K638 I639 L661 D662	E572-K633 WeakPolarHBondContact OE1-CE 3.35Å; E572-K633 IonicContact OE1-NZ 2.75Å; E572-K633 PolarHBondContact OE1-NZ 2.85Å; E572-K633 IonicContact OE2-NZ 3.56Å; E572-K633 PolarHBondContact OE2-NZ 3.1Å; L631-K633 PolarHBondContact O-N 2.84Å; K633-K638 CarbonylContact C-O 3.57Å; K633-K638 WeakPolarHBondContact CA-O 3.2Å; K633-I639 HydrophobicContact CG-CG1 3.98Å; K633-L661 CarbonylContact O-C 3.59Å; K633-L661 VanDerWaalsContact O-CA 3.22Å; K633-L661 WeakPolarHBondContact O-CA 3.08Å; K633-L661 VanDerWaalsContact O-CD2 3.29Å; K633-L661 WeakPolarHBondContact O-CD2 3.44Å; K633-D662 PolarHBondContact O-N 3Å
634	T	76.6	Confident	84	Confident	14 Å²	14	42.4 Å²	42.4	9%	0.086	19%	0.189	C	C	.	.	B	Isolated β-bridge	trans	-67.4	164.2	168	62.8	0	0	0	0	110.6	S636 G637 K638 M640 T660	T634-S636 PolarHBondContact O-N 2.86Å; T634-S636 VanDerWaalsContact O-N 3.09Å; T634-S636 PolarHBondContact OG1-OG 3.23Å; T634-G637 WeakPolarHBondContact O-CA 3.09Å; T634-G637 PolarHBondContact O-N 3.35Å; T634-K638 HydrophobicContact CG2-CB 4.48Å; T634-K638 PolarHBondContact N-O 3.48Å; T634-K638 WeakPolarHBondContact OG1-CB 3.09Å; T634-K638 PolarHBondContact OG1-N 3.3Å; T634-K638 VanDerWaalsContact OG1-N 3.16Å; T634-K638 PolarHBondContact OG1-O 2.77Å; T634-M640 HydrophobicContact CG2-CG 3.71Å; T634-M640 HydrophobicContact CG2-SD 4Å; T634-T660 CarbonylContact C-O 3.5Å; T634-T660 WeakPolarHBondContact CA-O 3.31Å
635	R	60.9	Low	83.8	Confident	92 Å²	92	42 Å²	42	35%	0.347	19%	0.186	S	C	.	.	T	Hydrogen-bonded Turn	trans	-61.2	-17.3	174	-59.2	-167.3	-164.7	177.9	6.2	114.6	F191 G193 G637 T660	F191-R635 HydrophobicContact CE1-CB 3.99Å; F191-R635 HydrophobicContact CE1-CG 4.25Å; F191-R635 HydrophobicContact CZ-CB 3.91Å; F191-R635 HydrophobicContact CZ-CG 4.46Å; G193-R635 VanDerWaalsContact CA-CZ 3.49Å; G193-R635 VanDerWaalsContact O-CZ 3.31Å; G193-R635 PolarHBondContact O-NH2 3.36Å; R635-G637 VanDerWaalsContact C-N 3.31Å; R635-T660 PolarHBondContact N-O 2.81Å
636	S	53.3	Low	83.4	Confident	53 Å²	53	44.1 Å²	44.1	37%	0.371	20%	0.195	S	C	.	.	T	Hydrogen-bonded Turn	trans	-86.6	-1	171	59.3	0	0	0	0	113.1	T634	T634-S636 PolarHBondContact O-N 2.86Å; T634-S636 VanDerWaalsContact O-N 3.09Å; T634-S636 PolarHBondContact OG1-OG 3.23Å
637	G	61	Low	83.1	Confident	7 Å²	7	44 Å²	44	7%	0.072	20%	0.195	C	C	.	.	S	Bend	trans	95.4	-11.8	176.3	0	0	0	0	0	115.3	T384 T634 R635 I639	T384-G637 PolarHBondContact OG1-O 3.02Å; T634-G637 WeakPolarHBondContact O-CA 3.09Å; T634-G637 PolarHBondContact O-N 3.35Å; R635-G637 VanDerWaalsContact C-N 3.31Å; G637-I639 PolarHBondContact O-N 3.34Å
638	K	76	Confident	83	Confident	109 Å²	109	43.3 Å²	43.3	47%	0.474	19%	0.193	S	C	.	.			trans	-64.3	126.1	-178.9	-177.4	179.3	-180	175.6	0	111.1	K633 T634 M640	K633-K638 CarbonylContact C-O 3.57Å; K633-K638 WeakPolarHBondContact CA-O 3.2Å; T634-K638 HydrophobicContact CG2-CB 4.48Å; T634-K638 PolarHBondContact N-O 3.48Å; T634-K638 WeakPolarHBondContact OG1-CB 3.09Å; T634-K638 PolarHBondContact OG1-N 3.3Å; T634-K638 VanDerWaalsContact OG1-N 3.16Å; T634-K638 PolarHBondContact OG1-O 2.77Å; K638-M640 PolarHBondContact O-N 3.26Å
639	I	84.4	Confident	82.7	Confident	17 Å²	17	46.4 Å²	46.4	9%	0.087	21%	0.207	C	C	.	.	B	Isolated β-bridge	trans	-64.9	130	174.4	-62.8	160.8	0	0	0	109.9	A574 L631 K633 G637 R641 L644	A574-I639 HydrophobicContact CB-CD1 4.21Å; A574-I639 HydrophobicContact CB-CG2 3.92Å; L631-I639 HydrophobicContact CD1-CD1 3.93Å; L631-I639 HydrophobicContact CD1-CG1 4.35Å; K633-I639 HydrophobicContact CG-CG1 3.98Å; G637-I639 PolarHBondContact O-N 3.34Å; I639-R641 VanDerWaalsContact C-N 3.33Å; I639-R641 HydrophobicContact CG2-CG 4.11Å; I639-R641 PolarHBondContact O-N 3.47Å; I639-L644 HydrophobicContact CG2-CD1 3.91Å
640	M	84.6	Confident	82.6	Confident	24 Å²	24	42.2 Å²	42.2	12%	0.118	20%	0.199	C	C	.	.			trans	-84.3	70.9	178.6	-66.9	-166.9	72.8	0	0	111.5	P632 T634 K638 R642 V643 L644 L661	P632-M640 PolarHBondContact O-N 2.78Å; T634-M640 HydrophobicContact CG2-CG 3.71Å; T634-M640 HydrophobicContact CG2-SD 4Å; K638-M640 PolarHBondContact O-N 3.26Å; M640-R642 PolarHBondContact O-N 2.76Å; M640-R642 VanDerWaalsContact O-N 3.11Å; M640-V643 HydrophobicContact CB-CB 4.25Å; M640-V643 HydrophobicContact CB-CG2 3.94Å; M640-V643 HydrophobicContact CE-CG2 4.07Å; M640-V643 WeakPolarHBondContact O-CB 3.43Å; M640-V643 PolarHBondContact O-N 3.36Å; M640-V643 HydrophobicContact SD-CG2 4.5Å; M640-L644 PolarHBondContact O-N 3.04Å; M640-L661 HydrophobicContact CG-CD2 3.98Å; M640-L661 HydrophobicContact SD-CD2 3.3Å; M640-L661 WeakPolarHBondContact SD-CD2 3.34Å; M640-L661 HydrophobicContact SD-CG 3.72Å
641	R	86.4	Confident	82.5	Confident	45 Å²	45	39.8 Å²	39.8	17%	0.17	19%	0.194	C	C	.	.	H	α-helix	trans	-55.6	-30.3	-179	-68	-171.3	-178.9	80.2	3.1	114.4	E561 I576 I639 V643 L644 R645	E561-R641 IonicContact OE1-CZ 2.66Å; E561-R641 IonicContact OE1-NE 3.17Å; E561-R641 PolarHBondContact OE1-NE 3.21Å; E561-R641 VanDerWaalsContact OE1-NE 3.16Å; E561-R641 IonicContact OE1-NH2 3.76Å; E561-R641 PolarHBondContact OE1-NH2 3.39Å; E561-R641 IonicContact OE2-CZ 2.59Å; E561-R641 IonicContact OE2-NH2 3.86Å; E561-R641 PolarHBondContact OE2-NH2 3.15Å; I576-R641 HydrophobicContact CG2-CB 4.2Å; I576-R641 HydrophobicContact CG2-CG 4.39Å; I639-R641 VanDerWaalsContact C-N 3.33Å; I639-R641 HydrophobicContact CG2-CG 4.11Å; I639-R641 PolarHBondContact O-N 3.47Å; R641-V643 VanDerWaalsContact C-N 3.29Å; R641-V643 PolarHBondContact O-N 3.45Å; R641-L644 WeakPolarHBondContact O-CB 3.35Å; R641-L644 PolarHBondContact O-N 2.99Å; R641-R645 WeakPolarHBondContact O-CB 3.25Å; R641-R645 PolarHBondContact O-N 2.66Å
642	R	85.4	Confident	82.1	Confident	103 Å²	103	42.9 Å²	42.9	39%	0.389	21%	0.21	S	C	.	.	H	α-helix	trans	-56.4	-42.5	172.4	-174.3	-176.9	65.6	71.8	3.2	112.2	M640 R645 K646 L655	M640-R642 PolarHBondContact O-N 2.76Å; M640-R642 VanDerWaalsContact O-N 3.11Å; R642-R645 PolarHBondContact O-N 2.79Å; R642-K646 WeakPolarHBondContact O-CG 3.42Å; R642-K646 PolarHBondContact O-N 3.1Å; R642-L655 PolarHBondContact NH1-O 2.62Å; R642-L655 PolarHBondContact NH2-O 3.05Å
643	V	87.8	Confident	81.6	Confident	1 Å²	1	50.9 Å²	50.9	1%	0.006	25%	0.253	C	S	.	.	H	α-helix	trans	-67.2	-48.1	178.4	173.9	0	0	0	0	109.6	M640 R641 R645 K646 V647 L655 L658 V667	M640-V643 HydrophobicContact CB-CB 4.25Å; M640-V643 HydrophobicContact CB-CG2 3.94Å; M640-V643 HydrophobicContact CE-CG2 4.07Å; M640-V643 WeakPolarHBondContact O-CB 3.43Å; M640-V643 PolarHBondContact O-N 3.36Å; M640-V643 HydrophobicContact SD-CG2 4.5Å; R641-V643 VanDerWaalsContact C-N 3.29Å; R641-V643 PolarHBondContact O-N 3.45Å; V643-R645 VanDerWaalsContact C-N 3.26Å; V643-R645 PolarHBondContact O-N 3.48Å; V643-K646 PolarHBondContact O-N 3.34Å; V643-V647 WeakPolarHBondContact O-CG2 3.49Å; V643-V647 PolarHBondContact O-N 3.05Å; V643-L655 HydrophobicContact CG1-CD2 4.08Å; V643-L658 HydrophobicContact CG1-CD2 4.46Å; V643-L658 HydrophobicContact CG2-CD2 3.62Å; V643-V667 HydrophobicContact CG1-CG1 3.86Å; V643-V667 HydrophobicContact CG1-CG2 3.96Å
644	L	92.4	Very high	81.2	Confident	0 Å²	0	52.4 Å²	52.4	0%	0	27%	0.267	C	S	.	.	H	α-helix	trans	-53.7	-44.9	175.9	-62.1	178.9	0	0	0	111.7	A574 I576 F590 P632 I639 M640 R641 V647 V648 I670	A574-L644 HydrophobicContact CB-CD1 3.65Å; I576-L644 HydrophobicContact CD1-CB 4.29Å; I576-L644 HydrophobicContact CG2-CB 4.18Å; F590-L644 HydrophobicContact CD1-CD2 4.27Å; F590-L644 HydrophobicContact CD2-CB 4.39Å; F590-L644 HydrophobicContact CD2-CD1 3.78Å; F590-L644 HydrophobicContact CD2-CD2 4.21Å; F590-L644 HydrophobicContact CD2-CG 4.36Å; F590-L644 HydrophobicContact CE1-CD2 4.13Å; F590-L644 HydrophobicContact CE2-CB 3.69Å; F590-L644 HydrophobicContact CE2-CD1 3.93Å; F590-L644 HydrophobicContact CE2-CD2 4.06Å; F590-L644 HydrophobicContact CE2-CG 4.1Å; F590-L644 HydrophobicContact CG-CD1 4.42Å; F590-L644 HydrophobicContact CG-CD2 4.3Å; F590-L644 HydrophobicContact CZ-CB 3.93Å; F590-L644 HydrophobicContact CZ-CD2 4.01Å; F590-L644 HydrophobicContact CZ-CG 4.42Å; P632-L644 HydrophobicContact CG-CD2 3.59Å; P632-L644 HydrophobicContact CG-CG 4.09Å; I639-L644 HydrophobicContact CG2-CD1 3.91Å; M640-L644 PolarHBondContact O-N 3.04Å; R641-L644 WeakPolarHBondContact O-CB 3.35Å; R641-L644 PolarHBondContact O-N 2.99Å; L644-V647 PolarHBondContact O-N 2.76Å; L644-V648 WeakPolarHBondContact O-CG2 3.38Å; L644-V648 PolarHBondContact O-N 3.17Å; L644-V648 VanDerWaalsContact O-N 3.08Å; L644-I670 HydrophobicContact CD2-CB 4.48Å; L644-I670 HydrophobicContact CD2-CD1 4.12Å; L644-I670 HydrophobicContact CD2-CG1 3.97Å; L644-I670 HydrophobicContact CD2-CG2 3.84Å
645	R	89.4	Confident	81.3	Confident	53 Å²	53	52.7 Å²	52.7	20%	0.2	27%	0.268	C	S	.	.	H	α-helix	trans	-64.5	-45.9	178.9	-160.2	-178.4	-57.6	-132.3	13.1	112.5	D545 D546 I576 R641 R642 V643 V647 V648 D649	D545-R645 PolarHBondContact O-NH2 2.9Å; D546-R645 IonicContact OD1-NH2 2.76Å; D546-R645 PolarHBondContact OD1-NH2 2.87Å; I576-R645 HydrophobicContact CD1-CB 4.13Å; I576-R645 HydrophobicContact CD1-CG 4.39Å; R641-R645 WeakPolarHBondContact O-CB 3.25Å; R641-R645 PolarHBondContact O-N 2.66Å; R642-R645 PolarHBondContact O-N 2.79Å; V643-R645 VanDerWaalsContact C-N 3.26Å; V643-R645 PolarHBondContact O-N 3.48Å; R645-V647 VanDerWaalsContact C-N 3.31Å; R645-V647 PolarHBondContact O-N 2.86Å; R645-V648 PolarHBondContact O-N 2.8Å; R645-D649 WeakPolarHBondContact O-CB 3.47Å; R645-D649 PolarHBondContact O-N 3.5Å
646	K	87.5	Confident	81.9	Confident	60 Å²	60	50.9 Å²	50.9	26%	0.261	28%	0.278	S	S	.	.	H	α-helix	trans	-61.9	-37.1	176.7	-74.2	-67.6	-175.7	-175.4	0	113	R642 V643 C650 D651 L655	R642-K646 WeakPolarHBondContact O-CG 3.42Å; R642-K646 PolarHBondContact O-N 3.1Å; V643-K646 PolarHBondContact O-N 3.34Å; K646-C650 PolarHBondContact O-N 2.89Å; K646-D651 HydrophobicContact CD-CB 3.95Å; K646-D651 WeakPolarHBondContact CD-OD2 3.42Å; K646-D651 WeakPolarHBondContact CE-OD2 3.35Å; K646-D651 IonicContact NZ-OD2 2.72Å; K646-D651 PolarHBondContact NZ-OD2 2.88Å; K646-D651 PolarHBondContact O-N 3.01Å; K646-L655 HydrophobicContact CB-CD2 3.68Å
647	V	91	Very high	82.8	Confident	3 Å²	3	51.7 Å²	51.7	2%	0.018	28%	0.277	C	S	.	.	H	α-helix	trans	-64.1	-48.1	173.7	174.1	0	0	0	0	111	V643 L644 R645 D649 C650 L652 L655 I670 I671 H674	V643-V647 WeakPolarHBondContact O-CG2 3.49Å; V643-V647 PolarHBondContact O-N 3.05Å; L644-V647 PolarHBondContact O-N 2.76Å; R645-V647 VanDerWaalsContact C-N 3.31Å; R645-V647 PolarHBondContact O-N 2.86Å; V647-D649 VanDerWaalsContact C-N 3.31Å; V647-D649 PolarHBondContact O-N 3.41Å; V647-C650 WeakPolarHBondContact O-CA 3.39Å; V647-C650 PolarHBondContact O-N 3.41Å; V647-L652 HydrophobicContact CB-CD2 4.41Å; V647-L652 HydrophobicContact CG2-CD2 4.04Å; V647-L655 HydrophobicContact CG2-CD2 4.06Å; V647-I670 HydrophobicContact CB-CG2 4.26Å; V647-I670 HydrophobicContact CG1-CG2 3.99Å; V647-I670 HydrophobicContact CG2-CG2 4.38Å; V647-I671 HydrophobicContact CB-CG1 4.41Å; V647-I671 HydrophobicContact CG1-CB 4.34Å; V647-I671 HydrophobicContact CG1-CG1 3.8Å; V647-I671 HydrophobicContact CG2-CD1 4.42Å; V647-I671 HydrophobicContact CG2-CG1 3.68Å; V647-H674 HydrophobicContact CG1-CB 4.08Å
648	V	91.1	Very high	83.8	Confident	15 Å²	15	53.7 Å²	53.7	9%	0.091	29%	0.287	C	S	.	.	H	α-helix	trans	-67.4	-32.7	179.9	173	0	0	0	0	112.3	I576 Y578 Y588 F590 L644 R645 C650	I576-V648 HydrophobicContact CD1-CB 4.06Å; I576-V648 HydrophobicContact CD1-CG2 3.89Å; Y578-V648 HydrophobicContact CG-CG1 4.24Å; Y588-V648 HydrophobicContact CD1-CG2 4.23Å; Y588-V648 HydrophobicContact CD2-CG1 3.8Å; Y588-V648 HydrophobicContact CD2-CG2 3.92Å; Y588-V648 HydrophobicContact CE1-CG2 4.2Å; Y588-V648 HydrophobicContact CE2-CG1 4.16Å; Y588-V648 HydrophobicContact CE2-CG2 3.91Å; Y588-V648 HydrophobicContact CG-CG1 4.46Å; Y588-V648 HydrophobicContact CG-CG2 4.11Å; F590-V648 HydrophobicContact CE1-CG2 4.49Å; F590-V648 HydrophobicContact CZ-CG2 3.69Å; L644-V648 WeakPolarHBondContact O-CG2 3.38Å; L644-V648 PolarHBondContact O-N 3.17Å; L644-V648 VanDerWaalsContact O-N 3.08Å; R645-V648 PolarHBondContact O-N 2.8Å; V648-C650 PolarHBondContact O-N 2.97Å
649	D	86.3	Confident	83.5	Confident	77 Å²	77	50 Å²	50	41%	0.412	27%	0.274	S	S	.	.	T	Hydrogen-bonded Turn	trans	-76.6	1.2	173	-66.6	-23	0	0	0	112.7	R645 V647 D651	R645-D649 WeakPolarHBondContact O-CB 3.47Å; R645-D649 PolarHBondContact O-N 3.5Å; V647-D649 VanDerWaalsContact C-N 3.31Å; V647-D649 PolarHBondContact O-N 3.41Å; D649-D651 PolarHBondContact O-N 3.18Å
650	C	85.9	Confident	83	Confident	87 Å²	87	50.1 Å²	50.1	59%	0.588	28%	0.276	S	S	*	.	T	Hydrogen-bonded Turn	trans	56.6	28.2	-177	-61.7	0	0	0	0	114.2	K646 V647 V648	K646-C650 PolarHBondContact O-N 2.89Å; V647-C650 WeakPolarHBondContact O-CA 3.39Å; V647-C650 PolarHBondContact O-N 3.41Å; V648-C650 PolarHBondContact O-N 2.97Å
651	D	85.6	Confident	82.7	Confident	47 Å²	47	49.2 Å²	49.2	25%	0.251	27%	0.272	S	S	.	.			trans	-105	68.9	179	-179	12.8	0	0	0	110.3	K646 D649 S654	K646-D651 HydrophobicContact CD-CB 3.95Å; K646-D651 WeakPolarHBondContact CD-OD2 3.42Å; K646-D651 WeakPolarHBondContact CE-OD2 3.35Å; K646-D651 IonicContact NZ-OD2 2.72Å; K646-D651 PolarHBondContact NZ-OD2 2.88Å; K646-D651 PolarHBondContact O-N 3.01Å; D649-D651 PolarHBondContact O-N 3.18Å; D651-S654 WeakPolarHBondContact OD1-CB 3.28Å; D651-S654 PolarHBondContact OD1-N 3.19Å; D651-S654 PolarHBondContact OD1-OG 3.27Å; D651-S654 VanDerWaalsContact OD2-CB 3.29Å; D651-S654 WeakPolarHBondContact OD2-CB 3.25Å; D651-S654 PolarHBondContact OD2-OG 3.05Å
652	L	84.9	Confident	82.3	Confident	68 Å²	68	51.5 Å²	51.5	36%	0.356	29%	0.287	S	S	.	.			trans	-74.2	-26.6	-174.8	-59.3	-178.1	0	0	0	113.1	V647 S654 L655 I671	V647-L652 HydrophobicContact CB-CD2 4.41Å; V647-L652 HydrophobicContact CG2-CD2 4.04Å; L652-S654 PolarHBondContact O-N 3.14Å; L652-L655 HydrophobicContact CD2-CD1 4.42Å; L652-L655 VanDerWaalsContact O-CD1 3.29Å; L652-L655 WeakPolarHBondContact O-CD1 3.43Å; L652-L655 WeakPolarHBondContact O-CG 3.4Å; L652-I671 HydrophobicContact CD1-CG2 4.24Å; L652-I671 HydrophobicContact CD2-CD1 3.89Å; L652-I671 HydrophobicContact CD2-CG1 3.89Å
653	D	78	Confident	82.1	Confident	168 Å²	168	49 Å²	49	90%	0.898	28%	0.282	S	S	*	.	T	Hydrogen-bonded Turn	trans	-72.4	-20.2	179.3	-63.4	-36.3	0	0	0	112.2
654	S	76.9	Confident	81.8	Confident	58 Å²	58	53.1 Å²	53.1	41%	0.406	31%	0.308	S	S	.	.	T	Hydrogen-bonded Turn	trans	-106.5	25.6	-178.3	-47	0	0	0	0	113.8	D651 L652 G656	D651-S654 WeakPolarHBondContact OD1-CB 3.28Å; D651-S654 PolarHBondContact OD1-N 3.19Å; D651-S654 PolarHBondContact OD1-OG 3.27Å; D651-S654 VanDerWaalsContact OD2-CB 3.29Å; D651-S654 WeakPolarHBondContact OD2-CB 3.25Å; D651-S654 PolarHBondContact OD2-OG 3.05Å; L652-S654 PolarHBondContact O-N 3.14Å; S654-G656 PolarHBondContact O-N 2.94Å; S654-G656 VanDerWaalsContact O-N 3.15Å
655	L	77.6	Confident	81.5	Confident	20 Å²	20	55.2 Å²	55.2	11%	0.105	33%	0.326	C	S	.	.			trans	-63.5	-17.1	178.2	-70.3	169.3	0	0	0	113.4	R642 V643 K646 V647 L652 V667	R642-L655 PolarHBondContact NH1-O 2.62Å; R642-L655 PolarHBondContact NH2-O 3.05Å; V643-L655 HydrophobicContact CG1-CD2 4.08Å; K646-L655 HydrophobicContact CB-CD2 3.68Å; V647-L655 HydrophobicContact CG2-CD2 4.06Å; L652-L655 HydrophobicContact CD2-CD1 4.42Å; L652-L655 VanDerWaalsContact O-CD1 3.29Å; L652-L655 WeakPolarHBondContact O-CD1 3.43Å; L652-L655 WeakPolarHBondContact O-CG 3.4Å; L655-V667 HydrophobicContact CD1-CG1 4.29Å
656	G	74.7	Confident	81.5	Confident	54 Å²	54	52.7 Å²	52.7	56%	0.557	32%	0.316	S	S	*	.			trans	67	-159.2	176.3	0	0	0	0	0	113.3	S654 L658	S654-G656 PolarHBondContact O-N 2.94Å; S654-G656 VanDerWaalsContact O-N 3.15Å; G656-L658 PolarHBondContact O-N 2.8Å
657	D	72.4	Confident	81.7	Confident	69 Å²	69	50.2 Å²	50.2	37%	0.369	31%	0.306	S	S	.	.			trans	-69.6	120.8	-178	-179	16.5	0	0	0	112.2	S659	D657-S659 VanDerWaalsContact CG-OG 3.27Å; D657-S659 WeakPolarHBondContact OD1-CB 3.32Å; D657-S659 PolarHBondContact OD1-N 3.32Å; D657-S659 PolarHBondContact OD1-OG 3.18Å; D657-S659 PolarHBondContact OD2-OG 2.82Å; D657-S659 VanDerWaalsContact OD2-OG 3.07Å
658	L	81.2	Confident	81.6	Confident	50 Å²	50	54.9 Å²	54.9	26%	0.262	33%	0.327	S	S	.	.			trans	-107.2	0.6	177.9	-59.1	-177.3	0	0	0	112.8	V643 G656 T660 L661 V667	V643-L658 HydrophobicContact CG1-CD2 4.46Å; V643-L658 HydrophobicContact CG2-CD2 3.62Å; G656-L658 PolarHBondContact O-N 2.8Å; L658-T660 PolarHBondContact O-N 3.19Å; L658-T660 VanDerWaalsContact O-N 3.12Å; L658-L661 HydrophobicContact CB-CD1 3.98Å; L658-L661 HydrophobicContact CD2-CD1 4.19Å; L658-L661 WeakPolarHBondContact O-CB 3.17Å; L658-L661 WeakPolarHBondContact O-CG 3.45Å; L658-L661 PolarHBondContact O-N 2.83Å; L658-V667 HydrophobicContact CD1-CG2 4.4Å
659	S	70.8	Confident	81.6	Confident	30 Å²	30	55.8 Å²	55.8	21%	0.21	33%	0.331	C	S	.	.	T	Hydrogen-bonded Turn	trans	-62.1	-23.5	-175.6	68.2	0	0	0	0	113.8	D657 L661	D657-S659 VanDerWaalsContact CG-OG 3.27Å; D657-S659 WeakPolarHBondContact OD1-CB 3.32Å; D657-S659 PolarHBondContact OD1-N 3.32Å; D657-S659 PolarHBondContact OD1-OG 3.18Å; D657-S659 PolarHBondContact OD2-OG 2.82Å; D657-S659 VanDerWaalsContact OD2-OG 3.07Å; S659-L661 VanDerWaalsContact C-N 3.25Å; S659-L661 PolarHBondContact O-N 2.99Å
660	T	73.5	Confident	82	Confident	20 Å²	20	52.1 Å²	52.1	12%	0.123	31%	0.311	C	S	.	.	T	Hydrogen-bonded Turn	trans	-76.6	-11.4	179.7	74.4	0	0	0	0	113.5	F194 T634 R635 L658	F194-T660 HydrophobicContact CD1-CG2 3.71Å; F194-T660 HydrophobicContact CE1-CG2 3.28Å; F194-T660 HydrophobicContact CZ-CG2 4.26Å; T634-T660 CarbonylContact C-O 3.5Å; T634-T660 WeakPolarHBondContact CA-O 3.31Å; R635-T660 PolarHBondContact N-O 2.81Å; L658-T660 PolarHBondContact O-N 3.19Å; L658-T660 VanDerWaalsContact O-N 3.12Å
661	L	78.5	Confident	82.3	Confident	6 Å²	6	48.8 Å²	48.8	3%	0.031	29%	0.287	C	S	.	.	B	Isolated β-bridge	trans	-64.2	145.1	-179.6	-72	173.7	0	0	0	112	P632 K633 M640 L658 S659 V667	P632-L661 HydrophobicContact CB-CD2 3.8Å; K633-L661 CarbonylContact O-C 3.59Å; K633-L661 VanDerWaalsContact O-CA 3.22Å; K633-L661 WeakPolarHBondContact O-CA 3.08Å; K633-L661 VanDerWaalsContact O-CD2 3.29Å; K633-L661 WeakPolarHBondContact O-CD2 3.44Å; M640-L661 HydrophobicContact CG-CD2 3.98Å; M640-L661 HydrophobicContact SD-CD2 3.3Å; M640-L661 WeakPolarHBondContact SD-CD2 3.34Å; M640-L661 HydrophobicContact SD-CG 3.72Å; L658-L661 HydrophobicContact CB-CD1 3.98Å; L658-L661 HydrophobicContact CD2-CD1 4.19Å; L658-L661 WeakPolarHBondContact O-CB 3.17Å; L658-L661 WeakPolarHBondContact O-CG 3.45Å; L658-L661 PolarHBondContact O-N 2.83Å; S659-L661 VanDerWaalsContact C-N 3.25Å; S659-L661 PolarHBondContact O-N 2.99Å; L661-V667 HydrophobicContact CD1-CG2 3.47Å; L661-V667 VanDerWaalsContact CD1-CG2 3.47Å
662	D	78.1	Confident	82.7	Confident	92 Å²	92	51.6 Å²	51.6	49%	0.492	30%	0.299	S	S	.	.	S	Bend	trans	-73.4	-37.7	168.6	65.5	-16.4	0	0	0	111.7	K633	K633-D662 PolarHBondContact O-N 3Å
663	D	79.6	Confident	83	Confident	52 Å²	52	49.2 Å²	49.2	28%	0.278	29%	0.29	S	S	.	.			trans	-142.8	105.8	176.3	-167.9	-19.8	0	0	0	112.2	R630 A665 A666	R630-D663 IonicContact CZ-OD2 2.94Å; R630-D663 IonicContact NH1-OD2 3.75Å; R630-D663 PolarHBondContact NH1-OD2 3.45Å; D663-A665 PolarHBondContact O-N 3.43Å; D663-A665 VanDerWaalsContact OD1-CB 3.24Å; D663-A665 WeakPolarHBondContact OD1-CB 3.19Å; D663-A665 PolarHBondContact OD1-N 3.2Å; D663-A666 WeakPolarHBondContact O-CB 3.45Å; D663-A666 PolarHBondContact O-N 2.85Å
664	P	83.1	Confident	83.7	Confident	86 Å²	86	41.7 Å²	41.7	56%	0.558	25%	0.25	S	C	*	.	T	Hydrogen-bonded Turn	trans	-59.7	-25.5	177	-25.3	35.4	0	0	0	114.7	A666 V667	P664-A666 PolarHBondContact O-N 3.21Å; P664-V667 PolarHBondContact O-N 2.95Å; P664-V667 VanDerWaalsContact O-N 3.1Å
665	A	85.4	Confident	84.4	Confident	45 Å²	45	44.5 Å²	44.5	37%	0.372	26%	0.257	S	S	.	.	H	α-helix	trans	-65.1	-20.6	-179.6	0	0	0	0	0	112.6	D663 V667 Q668 E669	D663-A665 PolarHBondContact O-N 3.43Å; D663-A665 VanDerWaalsContact OD1-CB 3.24Å; D663-A665 WeakPolarHBondContact OD1-CB 3.19Å; D663-A665 PolarHBondContact OD1-N 3.2Å; A665-V667 PolarHBondContact O-N 3.3Å; A665-Q668 PolarHBondContact O-N 2.94Å; A665-E669 PolarHBondContact O-N 3.04Å
666	A	89.1	Confident	84.9	Confident	0 Å²	0	49.4 Å²	49.4	0%	0	28%	0.277	C	S	.	.	H	α-helix	trans	-59.7	-33.5	174	0	0	0	0	0	112.2	R630 P632 D663 P664 I670	R630-A666 HydrophobicContact CG-CB 3.86Å; P632-A666 HydrophobicContact CB-CB 4.18Å; D663-A666 WeakPolarHBondContact O-CB 3.45Å; D663-A666 PolarHBondContact O-N 2.85Å; P664-A666 PolarHBondContact O-N 3.21Å; A666-I670 VanDerWaalsContact O-CG1 3.26Å; A666-I670 WeakPolarHBondContact O-CG1 3.39Å; A666-I670 PolarHBondContact O-N 3.09Å
667	V	91.6	Very high	85.5	Confident	8 Å²	8	48.6 Å²	48.6	5%	0.048	26%	0.26	C	S	.	.	H	α-helix	trans	-68.3	-45.4	-179.2	-176.9	0	0	0	0	110.9	P632 V643 L655 L658 L661 P664 A665 E669 I670 I671	P632-V667 HydrophobicContact CB-CG2 4.15Å; V643-V667 HydrophobicContact CG1-CG1 3.86Å; V643-V667 HydrophobicContact CG1-CG2 3.96Å; L655-V667 HydrophobicContact CD1-CG1 4.29Å; L658-V667 HydrophobicContact CD1-CG2 4.4Å; L661-V667 HydrophobicContact CD1-CG2 3.47Å; L661-V667 VanDerWaalsContact CD1-CG2 3.47Å; P664-V667 PolarHBondContact O-N 2.95Å; P664-V667 VanDerWaalsContact O-N 3.1Å; A665-V667 PolarHBondContact O-N 3.3Å; V667-E669 VanDerWaalsContact C-N 3.31Å; V667-E669 PolarHBondContact O-N 3.49Å; V667-I670 PolarHBondContact O-N 3.1Å; V667-I670 VanDerWaalsContact O-N 3.15Å; V667-I671 HydrophobicContact CG1-CD1 4.09Å; V667-I671 WeakPolarHBondContact O-CG1 3.28Å; V667-I671 PolarHBondContact O-N 3.21Å
668	Q	89.1	Confident	86	Confident	100 Å²	100	49.9 Å²	49.9	47%	0.467	27%	0.266	S	S	.	.	H	α-helix	trans	-61.8	-41.4	179.5	-174	58.8	34.1	0	0	111.7	A665 I670 I671 E672	A665-Q668 PolarHBondContact O-N 2.94Å; Q668-I670 VanDerWaalsContact C-N 3.29Å; Q668-I670 PolarHBondContact O-N 3.17Å; Q668-I671 WeakPolarHBondContact O-CB 3.44Å; Q668-I671 PolarHBondContact O-N 3.4Å; Q668-E672 WeakPolarHBondContact CG-OE1 3.44Å; Q668-E672 PolarHBondContact NE2-OE1 3.08Å; Q668-E672 VanDerWaalsContact NE2-OE1 3.12Å; Q668-E672 WeakPolarHBondContact O-CG 3.49Å; Q668-E672 PolarHBondContact O-N 3.34Å
669	E	90.7	Very high	85.8	Confident	34 Å²	34	52 Å²	52	16%	0.159	29%	0.285	C	S	.	.	H	α-helix	trans	-62.5	-37	176.3	-175.4	172.9	-174.4	0	0	112.5	K629 R630 A665 V667 G673	K629-E669 WeakPolarHBondContact CA-OE1 3.46Å; K629-E669 WeakPolarHBondContact CB-OE1 3.12Å; K629-E669 VanDerWaalsContact CD-OE1 3.31Å; K629-E669 WeakPolarHBondContact CD-OE1 3.44Å; K629-E669 WeakPolarHBondContact CG-OE1 3.24Å; K629-E669 PolarHBondContact N-OE1 3.29Å; R630-E669 IonicContact NE-OE2 2.92Å; R630-E669 PolarHBondContact NE-OE2 2.89Å; A665-E669 PolarHBondContact O-N 3.04Å; V667-E669 VanDerWaalsContact C-N 3.31Å; V667-E669 PolarHBondContact O-N 3.49Å; E669-G673 PolarHBondContact O-N 3.03Å
670	I	95.2	Very high	85.4	Confident	1 Å²	1	59.8 Å²	59.8	1%	0.005	32%	0.315	C	S	.	.	H	α-helix	trans	-67.5	-41.2	175.3	-66.7	-64.9	0	0	0	111.1	F590 Q626 A628 L631 L644 V647 A666 V667 Q668 H674	F590-I670 HydrophobicContact CD1-CD1 3.64Å; F590-I670 HydrophobicContact CD1-CG2 4.28Å; F590-I670 HydrophobicContact CE1-CD1 4.1Å; F590-I670 HydrophobicContact CE1-CG2 3.64Å; F590-I670 HydrophobicContact CG-CD1 4.45Å; F590-I670 HydrophobicContact CZ-CG2 4.32Å; Q626-I670 PolarHBondContact NE2-O 2.9Å; A628-I670 HydrophobicContact CB-CD1 3.89Å; L631-I670 HydrophobicContact CD2-CD1 4.49Å; L644-I670 HydrophobicContact CD2-CB 4.48Å; L644-I670 HydrophobicContact CD2-CD1 4.12Å; L644-I670 HydrophobicContact CD2-CG1 3.97Å; L644-I670 HydrophobicContact CD2-CG2 3.84Å; V647-I670 HydrophobicContact CB-CG2 4.26Å; V647-I670 HydrophobicContact CG1-CG2 3.99Å; V647-I670 HydrophobicContact CG2-CG2 4.38Å; A666-I670 VanDerWaalsContact O-CG1 3.26Å; A666-I670 WeakPolarHBondContact O-CG1 3.39Å; A666-I670 PolarHBondContact O-N 3.09Å; V667-I670 PolarHBondContact O-N 3.1Å; V667-I670 VanDerWaalsContact O-N 3.15Å; Q668-I670 VanDerWaalsContact C-N 3.29Å; Q668-I670 PolarHBondContact O-N 3.17Å; I670-H674 WeakPolarHBondContact O-CB 3.36Å; I670-H674 PolarHBondContact O-N 2.81Å
671	I	93.3	Very high	86	Confident	17 Å²	17	61.8 Å²	61.8	9%	0.087	33%	0.325	C	S	.	.	H	α-helix	trans	-59.8	-54.1	176.1	-66.1	166.2	0	0	0	110.5	V647 L652 V667 Q668 G673 H674 E675	V647-I671 HydrophobicContact CB-CG1 4.41Å; V647-I671 HydrophobicContact CG1-CB 4.34Å; V647-I671 HydrophobicContact CG1-CG1 3.8Å; V647-I671 HydrophobicContact CG2-CD1 4.42Å; V647-I671 HydrophobicContact CG2-CG1 3.68Å; L652-I671 HydrophobicContact CD1-CG2 4.24Å; L652-I671 HydrophobicContact CD2-CD1 3.89Å; L652-I671 HydrophobicContact CD2-CG1 3.89Å; V667-I671 HydrophobicContact CG1-CD1 4.09Å; V667-I671 WeakPolarHBondContact O-CG1 3.28Å; V667-I671 PolarHBondContact O-N 3.21Å; Q668-I671 WeakPolarHBondContact O-CB 3.44Å; Q668-I671 PolarHBondContact O-N 3.4Å; I671-G673 VanDerWaalsContact C-N 3.33Å; I671-G673 PolarHBondContact O-N 3.44Å; I671-H674 WeakPolarHBondContact O-CB 3.42Å; I671-H674 PolarHBondContact O-N 2.91Å; I671-H674 VanDerWaalsContact O-N 3.11Å; I671-E675 WeakPolarHBondContact O-CG 3.49Å; I671-E675 PolarHBondContact O-N 3.31Å
672	E	92.3	Very high	86.4	Confident	106 Å²	106	64.7 Å²	64.7	50%	0.495	34%	0.34	S	S	.	.	H	α-helix	trans	-60.9	-41.2	-178.5	-70.9	170.4	-167.9	0	0	112.4	Q668 H674 K676	Q668-E672 WeakPolarHBondContact CG-OE1 3.44Å; Q668-E672 PolarHBondContact NE2-OE1 3.08Å; Q668-E672 VanDerWaalsContact NE2-OE1 3.12Å; Q668-E672 WeakPolarHBondContact O-CG 3.49Å; Q668-E672 PolarHBondContact O-N 3.34Å; E672-H674 VanDerWaalsContact C-N 3.33Å; E672-K676 WeakPolarHBondContact O-CB 3.48Å; E672-K676 PolarHBondContact O-N 2.64Å; E672-K676 VanDerWaalsContact O-N 3.08Å
673	G	91.8	Very high	86.8	Confident	17 Å²	17	63.2 Å²	63.2	18%	0.175	33%	0.332	C	S	.	.	H	α-helix	trans	-68	-33	177.4	0	0	0	0	0	112.9	Q626 E669 I671 L677	Q626-G673 VanDerWaalsContact NE2-C 3.35Å; Q626-G673 VanDerWaalsContact NE2-CA 3.28Å; E669-G673 PolarHBondContact O-N 3.03Å; I671-G673 VanDerWaalsContact C-N 3.33Å; I671-G673 PolarHBondContact O-N 3.44Å; G673-L677 PolarHBondContact O-N 3.32Å; G673-L677 VanDerWaalsContact O-N 3.16Å
674	H	93.4	Very high	87.3	Confident	10 Å²	10	63.8 Å²	63.8	5%	0.046	34%	0.335	C	S	.	.	H	α-helix	trans	-68.7	-46.9	175.7	-174.8	64.9	0	0	0	111.2	Y588 V647 I670 I671 E672 K676 L677 L678	Y588-H674 AromaticContact CE2-CE1 3.74Å; Y588-H674 AromaticContact CE2-ND1 3.55Å; Y588-H674 AromaticContact CZ-ND1 3.52Å; Y588-H674 PolarHBondContact OH-ND1 3.22Å; V647-H674 HydrophobicContact CG1-CB 4.08Å; I670-H674 WeakPolarHBondContact O-CB 3.36Å; I670-H674 PolarHBondContact O-N 2.81Å; I671-H674 WeakPolarHBondContact O-CB 3.42Å; I671-H674 PolarHBondContact O-N 2.91Å; I671-H674 VanDerWaalsContact O-N 3.11Å; E672-H674 VanDerWaalsContact C-N 3.33Å; H674-K676 VanDerWaalsContact C-N 3.28Å; H674-K676 PolarHBondContact O-N 3.04Å; H674-L677 WeakPolarHBondContact O-CB 3.42Å; H674-L677 PolarHBondContact O-N 2.88Å; H674-L678 WeakPolarHBondContact NE2-CD1 3.43Å; H674-L678 PolarHBondContact O-N 3.32Å
675	E	90.8	Very high	87.5	Confident	117 Å²	117	62.4 Å²	62.4	55%	0.547	32%	0.321	S	S	.	.	H	α-helix	trans	-56.1	-43.2	174.9	-71	178.2	169	0	0	111.7	I671 L677 L678 S679	I671-E675 WeakPolarHBondContact O-CG 3.49Å; I671-E675 PolarHBondContact O-N 3.31Å; E675-L677 VanDerWaalsContact C-N 3.3Å; E675-L677 PolarHBondContact O-N 3.13Å; E675-L678 PolarHBondContact O-N 3.18Å; E675-S679 WeakPolarHBondContact O-CB 3.35Å; E675-S679 PolarHBondContact O-N 3.08Å; E675-S679 PolarHBondContact O-OG 3.12Å
676	K	88.9	Confident	87.7	Confident	124 Å²	124	63.6 Å²	63.6	54%	0.539	32%	0.318	S	S	.	.	H	α-helix	trans	-62.1	-36.9	176.7	-171.1	-180	-179	-174.3	0	112.5	E672 H674 S679	E672-K676 WeakPolarHBondContact O-CB 3.48Å; E672-K676 PolarHBondContact O-N 2.64Å; E672-K676 VanDerWaalsContact O-N 3.08Å; H674-K676 VanDerWaalsContact C-N 3.28Å; H674-K676 PolarHBondContact O-N 3.04Å; K676-S679 WeakPolarHBondContact CA-OG 3.28Å; K676-S679 PolarHBondContact O-OG 2.97Å
677	L	86.9	Confident	87.6	Confident	36 Å²	36	68.1 Å²	68.1	19%	0.188	34%	0.34	C	S	.	.	H	α-helix	trans	-72	-36.3	176.7	-79.6	170.5	0	0	0	112.6	Y588 Q626 G673 H674 E675 S679	Y588-L677 WeakPolarHBondContact OH-CD1 3.31Å; Q626-L677 HydrophobicContact CB-CD1 3.52Å; Q626-L677 HydrophobicContact CG-CD1 3.87Å; G673-L677 PolarHBondContact O-N 3.32Å; G673-L677 VanDerWaalsContact O-N 3.16Å; H674-L677 WeakPolarHBondContact O-CB 3.42Å; H674-L677 PolarHBondContact O-N 2.88Å; E675-L677 VanDerWaalsContact C-N 3.3Å; E675-L677 PolarHBondContact O-N 3.13Å; L677-S679 VanDerWaalsContact C-N 3.3Å
678	L	83.4	Confident	87.3	Confident	96 Å²	96	72.8 Å²	72.8	50%	0.503	36%	0.363	S	S	.	.	H	α-helix	trans	-71.3	-24.9	174.4	-67.4	-177.5	0	0	0	113	H674 E675 K680	H674-L678 WeakPolarHBondContact NE2-CD1 3.43Å; H674-L678 PolarHBondContact O-N 3.32Å; E675-L678 PolarHBondContact O-N 3.18Å; L678-K680 VanDerWaalsContact C-N 3.32Å
679	S	76.1	Confident	87.1	Confident	95 Å²	95	70.5 Å²	70.5	66%	0.664	35%	0.354	S	S	*	.	T	Hydrogen-bonded Turn	trans	-80	-9.5	178.7	72.9	0	0	0	0	114.9	E675 K676 L677	E675-S679 WeakPolarHBondContact O-CB 3.35Å; E675-S679 PolarHBondContact O-N 3.08Å; E675-S679 PolarHBondContact O-OG 3.12Å; K676-S679 WeakPolarHBondContact CA-OG 3.28Å; K676-S679 PolarHBondContact O-OG 2.97Å; L677-S679 VanDerWaalsContact C-N 3.3Å
680	K	62.7	Low	86.8	Confident	193 Å²	193	73.8 Å²	73.8	84%	0.839	37%	0.372	S	S	*	.			trans	-99.9	0	177.4	-73.7	177.8	176.3	-178.2	0	110.2	L678	L678-K680 VanDerWaalsContact C-N 3.32Å

Retrieved 680 of 680 residues in 354 ms (Link to these results)

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