A0A077Z6R2_TRITR Loading...

Asn synthase domain containing protein

AlphaFold DB , UniProt , Accession A0A077Z6R2, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 476 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	36.2	Very low	34.5	Very low	198 Å²	198	148.6 Å²	148.6	98%	0.975	77%	0.773	S	S	*	*				0	110.4	0	-89.8	-165.4	-44.6	0	0	105.9
2	D	33	Very low	34.5	Very low	130 Å²	130	141.7 Å²	141.7	70%	0.695	75%	0.745	S	S	*	*			trans	-61.7	130.1	-167.2	-55.7	-49.5	0	0	0	111.2	E4	D2-E4 PolarHBondContact O-N 3.08Å; D2-E4 VanDerWaalsContact O-N 3.08Å
3	E	34.1	Very low	34.4	Very low	153 Å²	153	134.5 Å²	134.5	72%	0.715	73%	0.726	S	S	*	*	T	Hydrogen-bonded Turn	trans	-64.5	-8.5	-177.3	-84.1	-176.3	146.5	0	0	113.5	V7	E3-V7 WeakPolarHBondContact O-CG2 3.49Å
4	E	36.8	Very low	34.6	Very low	163 Å²	163	129.1 Å²	129.1	76%	0.762	70%	0.703	S	S	*	*	T	Hydrogen-bonded Turn	trans	-80.7	-24	-176.7	-79.2	179.9	151.6	0	0	114.2	D2 I6 V7	D2-E4 PolarHBondContact O-N 3.08Å; D2-E4 VanDerWaalsContact O-N 3.08Å; E4-I6 VanDerWaalsContact C-N 3.33Å; E4-I6 PolarHBondContact O-N 3.35Å; E4-V7 PolarHBondContact O-N 3.35Å
5	T	37.1	Very low	35	Very low	122 Å²	122	124.9 Å²	124.9	75%	0.748	68%	0.679	S	S	*	*	T	Hydrogen-bonded Turn	trans	-82.3	-7.4	-173.3	-15	0	0	0	0	114.4
6	I	37.6	Very low	35.1	Very low	136 Å²	136	126.4 Å²	126.4	70%	0.697	68%	0.68	S	S	*	*	T	Hydrogen-bonded Turn	trans	-93.6	-6.5	175.4	-58.3	178	0	0	0	111	E4	E4-I6 VanDerWaalsContact C-N 3.33Å; E4-I6 PolarHBondContact O-N 3.35Å
7	V	35.4	Very low	35	Very low	111 Å²	111	125.2 Å²	125.2	67%	0.673	67%	0.669	S	S	*	*	S	Bend	trans	-88	-21.5	-170	-177.5	0	0	0	0	113.3	E3 E4	E3-V7 WeakPolarHBondContact O-CG2 3.49Å; E4-V7 PolarHBondContact O-N 3.35Å
8	E	33.5	Very low	35.1	Very low	179 Å²	179	124.5 Å²	124.5	84%	0.836	66%	0.661	S	S	*	*	S	Bend	trans	-93.1	-18.9	-170.3	-73.1	-171.1	142.6	0	0	116.3
9	D	32.8	Very low	35.3	Very low	170 Å²	170	123.3 Å²	123.3	91%	0.909	65%	0.654	S	S	*	*	S	Bend	trans	-105.5	14.7	-169.4	-97.3	-16.4	0	0	0	116.6
10	A	33.5	Very low	35.5	Very low	77 Å²	77	121.1 Å²	121.1	64%	0.636	65%	0.646	S	S	*	*			trans	-140.5	85.7	170.3	0	0	0	0	0	110.6	C12	A10-C12 VanDerWaalsContact C-N 3.3Å; A10-C12 PolarHBondContact O-N 2.78Å
11	K	29.9	Very low	35.6	Very low	196 Å²	196	120.8 Å²	120.8	85%	0.852	65%	0.649	S	S	*	*			trans	-42.5	110.1	143	-80.2	-178.7	178	175.9	0	105.5	G13	K11-G13 PolarHBondContact O-N 3.46Å
12	C	34.5	Very low	35.7	Very low	65 Å²	65	116.8 Å²	116.8	44%	0.439	64%	0.636	S	S	.	*			trans	-63.5	93.8	178.1	-171.9	0	0	0	0	104.7	A10 C14	A10-C12 VanDerWaalsContact C-N 3.3Å; A10-C12 PolarHBondContact O-N 2.78Å; C12-C14 PolarHBondContact O-N 3.46Å
13	G	32.9	Very low	36.1	Very low	49 Å²	49	113.2 Å²	113.2	51%	0.505	62%	0.621	S	S	.	*			trans	-67.2	50.2	172.1	0	0	0	0	0	110.1	K11 L15	K11-G13 PolarHBondContact O-N 3.46Å; G13-L15 PolarHBondContact O-N 3.3Å
14	C	36.5	Very low	36.3	Very low	58 Å²	58	117.1 Å²	117.1	39%	0.392	63%	0.629	S	S	.	*			trans	-54.3	133.3	158.3	-160.7	0	0	0	0	105.4	C12 Q16 E17	C12-C14 PolarHBondContact O-N 3.46Å; C14-Q16 PolarHBondContact O-N 3.12Å; C14-E17 PolarHBondContact O-N 3.45Å
15	L	41.2	Very low	36.4	Very low	66 Å²	66	116.4 Å²	116.4	35%	0.346	63%	0.63	S	S	.	*	H	α-helix	trans	-45.6	-25.6	175.2	-98	132	0	0	0	112.5	G13 L19 L86	G13-L15 PolarHBondContact O-N 3.3Å; L15-L19 HydrophobicContact CB-CD1 4.45Å; L15-L19 HydrophobicContact CD2-CD1 3.99Å; L15-L19 VanDerWaalsContact O-CB 3.23Å; L15-L19 WeakPolarHBondContact O-CB 2.9Å; L15-L19 WeakPolarHBondContact O-CD1 3.37Å; L15-L19 WeakPolarHBondContact O-CG 3.4Å; L15-L19 PolarHBondContact O-N 3.38Å; L15-L86 HydrophobicContact CD2-CD1 4.15Å
16	Q	35.8	Very low	36.5	Very low	149 Å²	149	115.5 Å²	115.5	70%	0.696	63%	0.628	S	S	*	*	H	α-helix	trans	-63.4	-34.3	174.4	-130.7	163.3	-13.1	0	0	114.6	C14 T20	C14-Q16 PolarHBondContact O-N 3.12Å; Q16-T20 WeakPolarHBondContact O-CB 3.45Å; Q16-T20 WeakPolarHBondContact O-CG2 3.45Å; Q16-T20 PolarHBondContact O-N 2.79Å; Q16-T20 PolarHBondContact O-OG1 3.32Å
17	E	34.5	Very low	36.5	Very low	107 Å²	107	120.1 Å²	120.1	50%	0.5	64%	0.636	S	S	.	*	H	α-helix	trans	-87.5	-31.1	179.8	-77.1	-171.6	176.3	0	0	113.4	C14 T20 T21	C14-E17 PolarHBondContact O-N 3.45Å; E17-T20 VanDerWaalsContact CA-OG1 3.25Å; E17-T20 WeakPolarHBondContact CA-OG1 3.41Å; E17-T20 PolarHBondContact O-OG1 2.8Å; E17-T20 VanDerWaalsContact O-OG1 3.1Å; E17-T21 PolarHBondContact O-N 2.68Å; E17-T21 PolarHBondContact O-OG1 2.87Å
18	Q	37	Very low	37.1	Very low	112 Å²	112	118.7 Å²	118.7	52%	0.523	63%	0.631	S	S	.	*	H	α-helix	trans	-79	-27.2	175.4	-73.2	-171.5	-20.7	0	0	112.8
19	L	38.5	Very low	38.2	Very low	102 Å²	102	119.9 Å²	119.9	53%	0.534	63%	0.634	S	S	.	*	H	α-helix	trans	-79.9	-20.6	171.5	-70	168	0	0	0	113	L15	L15-L19 HydrophobicContact CB-CD1 4.45Å; L15-L19 HydrophobicContact CD2-CD1 3.99Å; L15-L19 VanDerWaalsContact O-CB 3.23Å; L15-L19 WeakPolarHBondContact O-CB 2.9Å; L15-L19 WeakPolarHBondContact O-CD1 3.37Å; L15-L19 WeakPolarHBondContact O-CG 3.4Å; L15-L19 PolarHBondContact O-N 3.38Å
20	T	39	Very low	39.7	Very low	78 Å²	78	116.6 Å²	116.6	48%	0.479	61%	0.613	S	S	.	*	H	α-helix	trans	-86.5	-22.8	179.5	42.5	0	0	0	0	113.3	Q16 E17 S23	Q16-T20 WeakPolarHBondContact O-CB 3.45Å; Q16-T20 WeakPolarHBondContact O-CG2 3.45Å; Q16-T20 PolarHBondContact O-N 2.79Å; Q16-T20 PolarHBondContact O-OG1 3.32Å; E17-T20 VanDerWaalsContact CA-OG1 3.25Å; E17-T20 WeakPolarHBondContact CA-OG1 3.41Å; E17-T20 PolarHBondContact O-OG1 2.8Å; E17-T20 VanDerWaalsContact O-OG1 3.1Å; T20-S23 WeakPolarHBondContact O-CB 3.35Å; T20-S23 PolarHBondContact O-N 3.34Å; T20-S23 PolarHBondContact O-OG 3.33Å
21	T	36.7	Very low	42.2	Very low	115 Å²	115	118.2 Å²	118.2	71%	0.706	61%	0.611	S	S	*	*	T	Hydrogen-bonded Turn	trans	-82.3	-13.8	-179.2	36.8	0	0	0	0	114.5	E17	E17-T21 PolarHBondContact O-N 2.68Å; E17-T21 PolarHBondContact O-OG1 2.87Å
22	T	40	Very low	45	Very low	115 Å²	115	110.7 Å²	110.7	71%	0.706	58%	0.582	S	S	*	*	T	Hydrogen-bonded Turn	trans	-95.7	0.8	165.8	42.9	0	0	0	0	113.6	R24	T22-R24 VanDerWaalsContact C-N 3.31Å; T22-R24 PolarHBondContact O-N 3.4Å
23	S	41.4	Very low	47.7	Very low	54 Å²	54	110.4 Å²	110.4	38%	0.378	58%	0.576	S	S	.	*	G	3₁₀ helix	trans	-83.2	8.5	-174.3	76.6	0	0	0	0	116	T20 D25 C26	T20-S23 WeakPolarHBondContact O-CB 3.35Å; T20-S23 PolarHBondContact O-N 3.34Å; T20-S23 PolarHBondContact O-OG 3.33Å; S23-D25 PolarHBondContact O-N 2.95Å; S23-D25 VanDerWaalsContact O-N 3.11Å; S23-C26 PolarHBondContact O-N 2.91Å
24	R	37.3	Very low	50.5	Low	236 Å²	236	115.1 Å²	115.1	89%	0.891	58%	0.579	S	S	*	*	G	3₁₀ helix	trans	-70.9	-1.6	178.6	-78.7	-173.3	176.4	-179	-0.1	114.7	T22	T22-R24 VanDerWaalsContact C-N 3.31Å; T22-R24 PolarHBondContact O-N 3.4Å
25	D	38.6	Very low	53.2	Low	147 Å²	147	113.1 Å²	113.1	79%	0.786	56%	0.564	S	S	*	*	G	3₁₀ helix	trans	-123.6	22.2	175.2	-109.1	-18.9	0	0	0	115.2	S23 R27	S23-D25 PolarHBondContact O-N 2.95Å; S23-D25 VanDerWaalsContact O-N 3.11Å; D25-R27 PolarHBondContact O-N 2.62Å
26	C	40.3	Very low	55.6	Low	103 Å²	103	111 Å²	111	70%	0.696	56%	0.558	S	S	*	*			trans	-73	41.1	170.8	-79.7	0	0	0	0	113.8	S23	S23-C26 PolarHBondContact O-N 2.91Å
27	R	37.1	Very low	58.3	Low	234 Å²	234	104.3 Å²	104.3	88%	0.883	53%	0.526	S	S	*	.			trans	-92.5	19	179.9	-75	-171.5	-177.9	-170.2	2.1	115.1	D25	D25-R27 PolarHBondContact O-N 2.62Å
28	S	47.6	Very low	61	Low	81 Å²	81	100.9 Å²	100.9	57%	0.566	51%	0.512	S	S	*	.	S	Bend	trans	-129.5	124.7	147.1	74.9	0	0	0	0	107.5	E30	S28-E30 PolarHBondContact O-N 3.35Å
29	K	56.3	Low	63.5	Low	203 Å²	203	95.7 Å²	95.7	88%	0.883	49%	0.487	S	S	*	.			trans	-71.9	74	170.3	-74.5	-177.9	177.5	179.7	0	107.2	N31	K29-N31 PolarHBondContact O-N 3.49Å
30	E	66	Low	66.1	Low	101 Å²	101	90.9 Å²	90.9	47%	0.472	46%	0.462	S	S	.	.			trans	-58.9	125.7	164.3	-71.9	-167.3	154.6	0	0	107.2	S28 C32 K90	S28-E30 PolarHBondContact O-N 3.35Å; E30-C32 VanDerWaalsContact C-N 3.25Å; E30-C32 PolarHBondContact O-N 3.29Å; E30-K90 VanDerWaalsContact CD-NZ 3.31Å; E30-K90 IonicContact OE1-NZ 3.81Å; E30-K90 PolarHBondContact OE1-NZ 3.03Å; E30-K90 WeakPolarHBondContact OE2-CE 3.38Å; E30-K90 IonicContact OE2-NZ 2.73Å; E30-K90 PolarHBondContact OE2-NZ 3.48Å
31	N	84.8	Confident	68.6	Low	111 Å²	111	87.1 Å²	87.1	59%	0.594	44%	0.439	S	S	*	.			trans	-70.6	85	177.8	-75.9	-22.8	0	0	0	108.6	K29 L91	K29-N31 PolarHBondContact O-N 3.49Å; N31-L91 HydrophobicContact CB-CB 4.22Å; N31-L91 HydrophobicContact CB-CD1 4.34Å; N31-L91 VanDerWaalsContact O-CB 3.25Å; N31-L91 WeakPolarHBondContact O-CB 3.38Å; N31-L91 VanDerWaalsContact O-CG 3.28Å; N31-L91 WeakPolarHBondContact O-CG 3.33Å; N31-L91 PolarHBondContact O-N 3.45Å
32	C	89.3	Confident	71.3	Confident	38 Å²	38	83.5 Å²	83.5	26%	0.257	41%	0.413	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.4	135.7	-177.7	-63.4	0	0	0	0	111.2	E30 L89	E30-C32 VanDerWaalsContact C-N 3.25Å; E30-C32 PolarHBondContact O-N 3.29Å; C32-L89 CarbonylContact C-O 3.42Å; C32-L89 VanDerWaalsContact CA-O 3.3Å; C32-L89 WeakPolarHBondContact CA-O 3.31Å
33	L	90.3	Very high	73.9	Confident	60 Å²	60	81.4 Å²	81.4	31%	0.314	39%	0.394	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-99	118.6	169	177.6	64.8	0	0	0	109.4	F35 L64 L66 L89 L91	L33-F35 HydrophobicContact CD2-CD1 4.41Å; L33-F35 HydrophobicContact CG-CD1 4.18Å; L33-L64 HydrophobicContact CD2-CD2 3.83Å; L33-L66 HydrophobicContact CD1-CD1 4.45Å; L33-L66 HydrophobicContact CD2-CD1 3.91Å; L33-L66 HydrophobicContact CG-CD1 4.36Å; L33-L89 HydrophobicContact CB-CB 4.41Å; L33-L89 PolarHBondContact N-O 2.86Å; L33-L89 PolarHBondContact O-N 2.99Å; L33-L91 HydrophobicContact CB-CD2 4.32Å
34	W	92.2	Very high	76.4	Confident	147 Å²	147	79 Å²	79	56%	0.557	38%	0.377	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-102.5	132.5	174.7	-69.6	83.9	0	0	0	110.7	H87 C88 F99	W34-H87 VanDerWaalsContact CA-O 3.3Å; W34-H87 WeakPolarHBondContact CA-O 3.26Å; W34-C88 HydrophobicContact CD2-CB 3.93Å; W34-C88 VanDerWaalsContact CE2-SG 3.51Å; W34-C88 HydrophobicContact CE3-CB 3.83Å; W34-C88 HydrophobicContact CH2-CB 3.76Å; W34-C88 HydrophobicContact CZ2-CB 3.83Å; W34-C88 VanDerWaalsContact CZ2-SG 3.51Å; W34-C88 HydrophobicContact CZ3-CB 3.75Å; W34-F99 HydrophobicContact CH2-CD2 4.22Å; W34-F99 AromaticContact CH2-CE2 3.49Å; W34-F99 HydrophobicContact CH2-CE2 3.49Å; W34-F99 VanDerWaalsContact CH2-CE2 3.49Å; W34-F99 AromaticContact CH2-CZ 3.71Å; W34-F99 HydrophobicContact CH2-CZ 3.71Å; W34-F99 AromaticContact CZ3-CD2 3.7Å; W34-F99 HydrophobicContact CZ3-CD2 3.7Å; W34-F99 AromaticContact CZ3-CE2 3.41Å; W34-F99 HydrophobicContact CZ3-CE2 3.41Å; W34-F99 VanDerWaalsContact CZ3-CE2 3.41Å; W34-F99 HydrophobicContact CZ3-CZ 4.06Å
35	F	93.2	Very high	79.1	Confident	17 Å²	17	69 Å²	69	8%	0.075	34%	0.341	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-154.5	160.8	177.3	65.4	-85.5	0	0	0	111.1	L33 L45 L66 V81 L86 H87	L33-F35 HydrophobicContact CD2-CD1 4.41Å; L33-F35 HydrophobicContact CG-CD1 4.18Å; F35-L45 HydrophobicContact CB-CD2 4.06Å; F35-L45 HydrophobicContact CD2-CD2 4.1Å; F35-L66 HydrophobicContact CB-CD1 3.58Å; F35-L66 HydrophobicContact CB-CD2 4.34Å; F35-L66 HydrophobicContact CD1-CD1 3.88Å; F35-L66 HydrophobicContact CD2-CD1 4.23Å; F35-L66 HydrophobicContact CD2-CD2 3.7Å; F35-L66 HydrophobicContact CE2-CD2 4.11Å; F35-L66 HydrophobicContact CG-CD1 3.65Å; F35-L66 HydrophobicContact CG-CD2 4Å; F35-V81 HydrophobicContact CD2-CG2 4.32Å; F35-V81 HydrophobicContact CE2-CG2 4.36Å; F35-L86 CarbonylContact O-C 3.46Å; F35-H87 HydrophobicContact CD1-CB 3.89Å; F35-H87 HydrophobicContact CD2-CB 3.85Å; F35-H87 HydrophobicContact CE1-CB 3.6Å; F35-H87 HydrophobicContact CE2-CB 3.55Å; F35-H87 AromaticContact CE2-CD2 3.81Å; F35-H87 AromaticContact CE2-CG 3.63Å; F35-H87 HydrophobicContact CG-CB 4.01Å; F35-H87 HydrophobicContact CZ-CB 3.43Å; F35-H87 VanDerWaalsContact CZ-CB 3.43Å; F35-H87 AromaticContact CZ-CG 3.87Å; F35-H87 PolarHBondContact N-O 2.91Å; F35-H87 WeakPolarHBondContact O-CA 3.19Å; F35-H87 VanDerWaalsContact O-CB 3.32Å; F35-H87 WeakPolarHBondContact O-CB 3.42Å; F35-H87 PolarHBondContact O-N 3.45Å
36	G	91.8	Very high	81.6	Confident	22 Å²	22	62.1 Å²	62.1	23%	0.227	30%	0.304	C	S	.	.	E	Extended strand (participates in β ladder)	trans	160.7	-175.1	-179	0	0	0	0	0	112.8	L45 T85	G36-L45 WeakPolarHBondContact O-CD2 3.48Å; G36-T85 CarbonylContact C-O 3.46Å; G36-T85 WeakPolarHBondContact CA-O 3.03Å
37	R	92	Very high	84	Confident	7 Å²	7	57.4 Å²	57.4	3%	0.026	27%	0.272	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129	145.2	179.3	-64	174.8	69.6	-163.5	-6.3	109.8	G41 K43 L45 E80 V81 V83 G84 T85 G380 S385	R37-G41 PolarHBondContact NH2-O 3.48Å; R37-K43 PolarHBondContact NE-O 3.21Å; R37-L45 HydrophobicContact CG-CB 3.85Å; R37-E80 IonicContact CZ-OE2 3.98Å; R37-E80 VanDerWaalsContact NH1-CG 3.34Å; R37-E80 IonicContact NH1-OE2 3.41Å; R37-E80 PolarHBondContact NH1-OE2 2.87Å; R37-V81 WeakPolarHBondContact CD-O 3.37Å; R37-V81 HydrophobicContact CG-CB 4.38Å; R37-V81 HydrophobicContact CG-CG1 4.45Å; R37-V81 PolarHBondContact NH1-O 2.67Å; R37-V83 VanDerWaalsContact CZ-CG2 3.47Å; R37-G84 PolarHBondContact O-N 2.69Å; R37-T85 PolarHBondContact N-O 3.1Å; R37-T85 PolarHBondContact O-N 3.44Å; R37-G380 PolarHBondContact NH2-O 3.5Å; R37-S385 PolarHBondContact NH1-OG 3.33Å; R37-S385 PolarHBondContact NH2-OG 3.33Å
38	D	91.5	Very high	86.4	Confident	36 Å²	36	47 Å²	47	19%	0.193	23%	0.233	C	C	.	.			trans	-62.6	171.6	175.2	71.2	35	0	0	0	112	F40 G41 R42 V83 G84	D38-F40 PolarHBondContact O-N 3.41Å; D38-F40 PolarHBondContact OD1-N 2.86Å; D38-G41 PolarHBondContact O-N 3Å; D38-G41 PolarHBondContact OD1-N 3.06Å; D38-R42 PolarHBondContact OD1-N 3.35Å; D38-R42 VanDerWaalsContact OD1-N 3.14Å; D38-R42 WeakPolarHBondContact OD2-CB 3.3Å; D38-R42 WeakPolarHBondContact OD2-CD 3.24Å; D38-R42 WeakPolarHBondContact OD2-CG 3.38Å; D38-R42 IonicContact OD2-CZ 3.06Å; D38-R42 IonicContact OD2-NE 2.75Å; D38-R42 IonicContact OD2-NH1 3.81Å; D38-R42 PolarHBondContact OD2-NH1 2.57Å; D38-V83 WeakPolarHBondContact O-CG1 3.41Å; D38-G84 PolarHBondContact O-N 2.92Å
39	C	89.8	Confident	88.1	Confident	2 Å²	2	44.6 Å²	44.6	1%	0.014	21%	0.214	C	C	.	.	T	Hydrogen-bonded Turn	trans	-64.3	-24	-175.5	57.8	0	0	0	0	114.3	V83 L101 F102 F127 F131	C39-V83 WeakPolarHBondContact O-CG1 3.29Å; C39-L101 HydrophobicContact CB-CD1 4.44Å; C39-F102 HydrophobicContact CB-CD1 4.39Å; C39-F102 HydrophobicContact CB-CE1 4.23Å; C39-F127 HydrophobicContact CB-CB 4.37Å; C39-F127 HydrophobicContact CB-CD1 4.32Å; C39-F131 HydrophobicContact CB-CE2 4.09Å; C39-F131 HydrophobicContact CB-CZ 4.11Å; C39-F131 VanDerWaalsContact O-CZ 3.3Å; C39-F131 WeakPolarHBondContact O-CZ 3.47Å
40	F	91.9	Very high	89.1	Confident	1 Å²	1	36.5 Å²	36.5	0%	0.004	18%	0.183	C	C	.	.	T	Hydrogen-bonded Turn	trans	-96.4	-10.9	177.4	-62.2	-75.2	0	0	0	112.7	D38 R42 L130 F131 L376 G380 L384 L403 E405 V408	D38-F40 PolarHBondContact O-N 3.41Å; D38-F40 PolarHBondContact OD1-N 2.86Å; F40-R42 HydrophobicContact CB-CG 3.93Å; F40-L130 HydrophobicContact CE2-CD1 4.16Å; F40-L130 HydrophobicContact CZ-CB 4.15Å; F40-L130 HydrophobicContact CZ-CD1 4.15Å; F40-F131 AromaticContact CD1-CE1 3.76Å; F40-F131 HydrophobicContact CD1-CE1 3.76Å; F40-F131 AromaticContact CD1-CZ 3.81Å; F40-F131 HydrophobicContact CD1-CZ 3.81Å; F40-F131 AromaticContact CE1-CE1 3.7Å; F40-F131 HydrophobicContact CE1-CE1 3.7Å; F40-F131 AromaticContact CE1-CZ 3.74Å; F40-F131 HydrophobicContact CE1-CZ 3.74Å; F40-F131 HydrophobicContact CG-CZ 4.48Å; F40-F131 HydrophobicContact CZ-CZ 4.36Å; F40-L376 HydrophobicContact CD1-CD1 4.27Å; F40-L376 HydrophobicContact CE1-CD1 4.09Å; F40-L376 HydrophobicContact CE1-CG 4.25Å; F40-G380 WeakPolarHBondContact O-CA 3.32Å; F40-G380 PolarHBondContact O-N 2.58Å; F40-L384 WeakPolarHBondContact O-CD1 3.4Å; F40-L403 HydrophobicContact CD1-CD2 4.09Å; F40-L403 HydrophobicContact CE1-CD2 4.38Å; F40-E405 HydrophobicContact CE2-CG 4.39Å; F40-V408 HydrophobicContact CE1-CG1 4.18Å; F40-V408 HydrophobicContact CE1-CG2 4.22Å; F40-V408 HydrophobicContact CE2-CG2 4.44Å; F40-V408 HydrophobicContact CZ-CB 3.99Å; F40-V408 HydrophobicContact CZ-CG1 3.85Å; F40-V408 HydrophobicContact CZ-CG2 3.76Å
41	G	92.3	Very high	89.5	Confident	0 Å²	0	37.3 Å²	37.3	0%	0	19%	0.189	C	C	.	.			trans	69.8	32.1	-177.3	0	0	0	0	0	113.1	R37 D38 K43	R37-G41 PolarHBondContact NH2-O 3.48Å; D38-G41 PolarHBondContact O-N 3Å; D38-G41 PolarHBondContact OD1-N 3.06Å; G41-K43 PolarHBondContact O-N 3.02Å
42	R	94.2	Very high	88.6	Confident	38 Å²	38	33.6 Å²	33.6	14%	0.143	17%	0.173	C	C	.	.			trans	-59.6	-33.5	-173.9	-58.4	-179.4	-157.4	113.4	-9.6	113.2	D38 F40 L400 L403 E405	D38-R42 PolarHBondContact OD1-N 3.35Å; D38-R42 VanDerWaalsContact OD1-N 3.14Å; D38-R42 WeakPolarHBondContact OD2-CB 3.3Å; D38-R42 WeakPolarHBondContact OD2-CD 3.24Å; D38-R42 WeakPolarHBondContact OD2-CG 3.38Å; D38-R42 IonicContact OD2-CZ 3.06Å; D38-R42 IonicContact OD2-NE 2.75Å; D38-R42 IonicContact OD2-NH1 3.81Å; D38-R42 PolarHBondContact OD2-NH1 2.57Å; F40-R42 HydrophobicContact CB-CG 3.93Å; R42-L400 HydrophobicContact CB-CD1 3.85Å; R42-L400 HydrophobicContact CG-CD1 3.89Å; R42-L403 VanDerWaalsContact CZ-O 3.28Å; R42-L403 PolarHBondContact NE-O 2.76Å; R42-L403 PolarHBondContact NH2-O 3.44Å; R42-E405 IonicContact CZ-OE1 3.81Å; R42-E405 IonicContact NH1-OE1 3.89Å; R42-E405 PolarHBondContact NH1-OE1 2.83Å; R42-E405 VanDerWaalsContact NH1-OE1 3.13Å; R42-E405 IonicContact NH2-OE1 2.9Å; R42-E405 PolarHBondContact NH2-OE1 3.39Å; R42-E405 IonicContact NH2-OE2 3.82Å; R42-E405 PolarHBondContact NH2-OE2 3.45Å
43	K	93.9	Very high	87.3	Confident	72 Å²	72	39.7 Å²	39.7	31%	0.313	20%	0.198	S	C	.	.	S	Bend	trans	-106.6	138.7	175.5	-60.3	-57.8	179.7	-177	0	110.6	R37 G41 D388 V398	R37-K43 PolarHBondContact NE-O 3.21Å; G41-K43 PolarHBondContact O-N 3.02Å; K43-D388 WeakPolarHBondContact CA-OD2 3.38Å; K43-D388 WeakPolarHBondContact CD-OD1 3.48Å; K43-D388 IonicContact NZ-OD1 3.28Å; K43-D388 PolarHBondContact NZ-OD1 3.09Å; K43-V398 PolarHBondContact NZ-O 3.38Å
44	S	94	Very high	85.7	Confident	3 Å²	3	40.6 Å²	40.6	2%	0.021	20%	0.201	C	C	.	.			trans	-80.1	139.7	170.9	-171.5	0	0	0	0	109.8	T68 D388 R389	S44-T68 PolarHBondContact O-OG1 2.99Å; S44-D388 PolarHBondContact N-OD2 2.99Å; S44-R389 WeakPolarHBondContact OG-CG 3.07Å; S44-R389 PolarHBondContact OG-NH1 3.43Å
45	L	93.8	Very high	84	Confident	27 Å²	27	39.2 Å²	39.2	14%	0.141	21%	0.211	C	C	.	.			trans	-139.1	116.2	169	-175.5	64.2	0	0	0	107.5	F35 G36 R37 L66 V81	F35-L45 HydrophobicContact CB-CD2 4.06Å; F35-L45 HydrophobicContact CD2-CD2 4.1Å; G36-L45 WeakPolarHBondContact O-CD2 3.48Å; R37-L45 HydrophobicContact CG-CB 3.85Å; L45-L66 HydrophobicContact CD1-CB 4.2Å; L45-L66 HydrophobicContact CD1-CD2 4.26Å; L45-L66 HydrophobicContact CD2-CD2 4.35Å; L45-L66 HydrophobicContact CG-CD2 4.3Å; L45-V81 HydrophobicContact CB-CB 4.24Å; L45-V81 HydrophobicContact CB-CG2 4.25Å; L45-V81 HydrophobicContact CD2-CB 4.21Å; L45-V81 HydrophobicContact CD2-CG1 4.38Å; L45-V81 HydrophobicContact CD2-CG2 3.88Å; L45-V81 HydrophobicContact CG-CB 4.3Å; L45-V81 HydrophobicContact CG-CG2 3.82Å; L45-V81 PolarHBondContact O-N 2.89Å
46	L	91.9	Very high	82.3	Confident	2 Å²	2	46.7 Å²	46.7	1%	0.01	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.5	140.9	173.8	-55	179.6	0	0	0	108.4	L66 S67 N70 L79 E80	L46-L66 WeakPolarHBondContact O-CA 3.31Å; L46-S67 WeakPolarHBondContact CA-O 3.48Å; L46-S67 VanDerWaalsContact CB-O 3.26Å; L46-S67 WeakPolarHBondContact CB-O 3.36Å; L46-S67 PolarHBondContact N-O 2.96Å; L46-S67 PolarHBondContact O-N 3.18Å; L46-N70 HydrophobicContact CD1-CB 3.87Å; L46-L79 CarbonylContact C-O 3.5Å; L46-L79 WeakPolarHBondContact CA-O 3.49Å; L46-E80 HydrophobicContact CD2-CB 3.92Å; L46-E80 HydrophobicContact CD2-CG 4.23Å
47	L	89.8	Confident	80.5	Confident	3 Å²	3	50.3 Å²	50.3	2%	0.016	26%	0.259	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.1	126.2	176.4	175.7	68.4	0	0	0	108.2	L64 I65 L66 S78 L79 V81 C112 L113	L47-L64 HydrophobicContact CD1-CD1 3.47Å; L47-L64 VanDerWaalsContact CD1-CD1 3.47Å; L47-L64 HydrophobicContact CD1-CG 4.11Å; L47-I65 WeakPolarHBondContact CA-O 3.28Å; L47-L66 HydrophobicContact CB-CD2 4.29Å; L47-L66 HydrophobicContact CD1-CD2 3.57Å; L47-L66 HydrophobicContact CD1-CG 4.26Å; L47-S78 CarbonylContact O-C 3.56Å; L47-S78 WeakPolarHBondContact O-CA 3.49Å; L47-L79 PolarHBondContact N-O 3.25Å; L47-L79 PolarHBondContact O-N 3.2Å; L47-V81 HydrophobicContact CB-CG2 3.97Å; L47-C112 HydrophobicContact CD2-CB 3.47Å; L47-C112 VanDerWaalsContact CD2-CB 3.47Å; L47-C112 WeakPolarHBondContact CD2-O 2.96Å; L47-C112 VanDerWaalsContact CD2-SG 3.54Å; L47-L113 HydrophobicContact CD1-CD2 4.34Å; L47-L113 HydrophobicContact CD2-CD2 4.03Å
48	Y	86.9	Confident	78.9	Confident	15 Å²	15	58.9 Å²	58.9	6%	0.059	31%	0.305	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.3	130.1	167.7	177	-89.6	0	0	0	108.2	S50 L63 L64 I65 L74 P75	Y48-S50 VanDerWaalsContact CZ-CB 3.44Å; Y48-S50 WeakPolarHBondContact OH-CB 3.19Å; Y48-S50 PolarHBondContact OH-OG 3.08Å; Y48-L63 HydrophobicContact CE1-CD2 4.21Å; Y48-L64 WeakPolarHBondContact O-CA 3.38Å; Y48-I65 HydrophobicContact CD1-CB 4.43Å; Y48-I65 HydrophobicContact CD1-CD1 4.26Å; Y48-I65 PolarHBondContact N-O 2.83Å; Y48-I65 PolarHBondContact O-N 2.81Å; Y48-L74 HydrophobicContact CD1-CD1 3.81Å; Y48-L74 HydrophobicContact CD2-CB 4.37Å; Y48-L74 HydrophobicContact CD2-CD1 4.06Å; Y48-L74 HydrophobicContact CE1-CD1 4.09Å; Y48-L74 HydrophobicContact CE2-CB 4.01Å; Y48-L74 HydrophobicContact CE2-CD1 4.33Å; Y48-L74 HydrophobicContact CG-CD1 3.78Å; Y48-P75 WeakPolarHBondContact CE2-O 3.45Å; Y48-P75 VanDerWaalsContact CZ-O 3.24Å; Y48-P75 WeakPolarHBondContact OH-CG 3.46Å; Y48-P75 PolarHBondContact OH-O 3.36Å
49	D	83.2	Confident	77.5	Confident	32 Å²	32	64.1 Å²	64.1	17%	0.171	33%	0.329	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.4	108.2	-172.7	177.6	30.5	0	0	0	108	R62 L64 S114	D49-R62 IonicContact OD1-CZ 3.75Å; D49-R62 VanDerWaalsContact OD1-CZ 3.27Å; D49-R62 IonicContact OD1-NE 2.79Å; D49-R62 PolarHBondContact OD1-NE 3.39Å; D49-R62 IonicContact OD1-NH2 2.87Å; D49-R62 PolarHBondContact OD1-NH2 2.91Å; D49-R62 VanDerWaalsContact OD1-NH2 3.09Å; D49-R62 IonicContact OD2-CZ 2.74Å; D49-R62 IonicContact OD2-NE 3.53Å; D49-R62 IonicContact OD2-NH2 2.75Å; D49-R62 PolarHBondContact OD2-NH2 3.43Å; D49-L64 HydrophobicContact CB-CD1 4.11Å; D49-S114 WeakPolarHBondContact OD2-CB 3.49Å; D49-S114 PolarHBondContact OD2-N 3.22Å; D49-S114 PolarHBondContact OD2-OG 3.33Å
50	S	78	Confident	76.6	Confident	33 Å²	33	71.2 Å²	71.2	23%	0.231	36%	0.362	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.8	150.8	-173.6	-172.8	0	0	0	0	111	Y48 L63	Y48-S50 VanDerWaalsContact CZ-CB 3.44Å; Y48-S50 WeakPolarHBondContact OH-CB 3.19Å; Y48-S50 PolarHBondContact OH-OG 3.08Å; S50-L63 PolarHBondContact N-O 3.3Å; S50-L63 VanDerWaalsContact N-O 3.11Å; S50-L63 PolarHBondContact O-N 3.26Å
51	I	74.6	Confident	75.7	Confident	118 Å²	118	72.2 Å²	72.2	61%	0.605	37%	0.372	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-88.8	114.4	167.2	-57.8	175.6	0	0	0	106.1	Q60 G61	I51-Q60 HydrophobicContact CG2-CB 3.99Å; I51-Q60 HydrophobicContact CG2-CG 4.34Å; I51-G61 WeakPolarHBondContact CA-O 3.46Å
52	A	66.5	Low	75.1	Confident	32 Å²	32	76.2 Å²	76.2	26%	0.264	39%	0.387	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.5	145.1	-179.6	0	0	0	0	0	109.9	E54 G61 L63	A52-E54 PolarHBondContact O-N 3.26Å; A52-G61 PolarHBondContact N-O 2.97Å; A52-G61 PolarHBondContact O-N 2.87Å; A52-G61 VanDerWaalsContact O-O 3.09Å; A52-L63 HydrophobicContact CB-CB 4.32Å
53	Q	61.9	Low	74.5	Confident	166 Å²	166	77.2 Å²	77.2	78%	0.776	40%	0.395	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-72.3	114	160.7	-80.2	-179.6	-23.5	0	0	107.4	P55	Q53-P55 WeakPolarHBondContact O-CD 3.34Å
54	E	55.9	Low	74.1	Confident	79 Å²	79	76.1 Å²	76.1	37%	0.369	39%	0.392	S	S	.	.			trans	-70	122.1	172.7	-85.3	-93.8	165.3	0	0	108	A52 H56 L57	A52-E54 PolarHBondContact O-N 3.26Å; E54-H56 PolarHBondContact O-N 3.15Å; E54-L57 HydrophobicContact CB-CB 3.8Å; E54-L57 HydrophobicContact CB-CD1 4.07Å; E54-L57 HydrophobicContact CB-CG 4.28Å; E54-L57 HydrophobicContact CG-CD1 4.07Å; E54-L57 PolarHBondContact O-N 3.35Å; E54-L57 VanDerWaalsContact O-N 3.15Å
55	P	56.3	Low	73.8	Confident	118 Å²	118	78.3 Å²	78.3	77%	0.766	40%	0.403	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.7	-13.1	-176.7	-24.2	33.6	0	0	0	114.8	Q53	Q53-P55 WeakPolarHBondContact O-CD 3.34Å
56	H	58.7	Low	73.7	Confident	175 Å²	175	79.7 Å²	79.7	81%	0.81	41%	0.41	S	S	*	.	T	Hydrogen-bonded Turn	trans	-119.1	-1.1	-175.8	-58.6	-52.5	0	0	0	114	E54	E54-H56 PolarHBondContact O-N 3.15Å
57	L	53.7	Low	73.7	Confident	98 Å²	98	81.3 Å²	81.3	51%	0.513	42%	0.422	S	S	.	.			trans	-125.7	123.1	175.9	-64.4	162.2	0	0	0	106.6	E54 E59	E54-L57 HydrophobicContact CB-CB 3.8Å; E54-L57 HydrophobicContact CB-CD1 4.07Å; E54-L57 HydrophobicContact CB-CG 4.28Å; E54-L57 HydrophobicContact CG-CD1 4.07Å; E54-L57 PolarHBondContact O-N 3.35Å; E54-L57 VanDerWaalsContact O-N 3.15Å; L57-E59 PolarHBondContact O-N 3.44Å
58	D	58.4	Low	73.7	Confident	186 Å²	186	83.6 Å²	83.6	100%	0.995	44%	0.436	S	S	*	.	S	Bend	trans	-65.9	15.5	171.5	-74.1	-33.3	0	0	0	112.7
59	E	63	Low	73.8	Confident	147 Å²	147	85 Å²	85	69%	0.687	44%	0.444	S	S	*	.	S	Bend	trans	-116.3	143.4	-177.6	-64.7	-174	173.3	0	0	110.4	L57 G61	L57-E59 PolarHBondContact O-N 3.44Å; E59-G61 PolarHBondContact O-N 3.04Å
60	Q	69.9	Low	73.8	Confident	151 Å²	151	84.6 Å²	84.6	71%	0.706	44%	0.442	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-67.8	113.8	170.3	-76	-178.1	-5	0	0	109.3	I51	I51-Q60 HydrophobicContact CG2-CB 3.99Å; I51-Q60 HydrophobicContact CG2-CG 4.34Å
61	G	73.9	Confident	73.7	Confident	21 Å²	21	84.8 Å²	84.8	22%	0.216	44%	0.443	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.3	153.1	174.2	0	0	0	0	0	111.5	I51 A52 E59	I51-G61 WeakPolarHBondContact CA-O 3.46Å; A52-G61 PolarHBondContact N-O 2.97Å; A52-G61 PolarHBondContact O-N 2.87Å; A52-G61 VanDerWaalsContact O-O 3.09Å; E59-G61 PolarHBondContact O-N 3.04Å
62	R	79.2	Confident	73.9	Confident	85 Å²	85	84.4 Å²	84.4	32%	0.321	45%	0.446	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.5	117.1	167.4	-173.6	177.3	-176.8	152.3	-0.7	109.2	D49 S114 I116	D49-R62 IonicContact OD1-CZ 3.75Å; D49-R62 VanDerWaalsContact OD1-CZ 3.27Å; D49-R62 IonicContact OD1-NE 2.79Å; D49-R62 PolarHBondContact OD1-NE 3.39Å; D49-R62 IonicContact OD1-NH2 2.87Å; D49-R62 PolarHBondContact OD1-NH2 2.91Å; D49-R62 VanDerWaalsContact OD1-NH2 3.09Å; D49-R62 IonicContact OD2-CZ 2.74Å; D49-R62 IonicContact OD2-NE 3.53Å; D49-R62 IonicContact OD2-NH2 2.75Å; D49-R62 PolarHBondContact OD2-NH2 3.43Å; R62-S114 PolarHBondContact NH1-O 3.43Å; R62-S114 PolarHBondContact NH2-O 3.14Å; R62-I116 VanDerWaalsContact NH1-CG1 3.3Å
63	L	81.5	Confident	74.3	Confident	58 Å²	58	86.5 Å²	86.5	30%	0.304	47%	0.47	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.9	116.5	176.4	178.8	60.6	0	0	0	110	Y48 S50 A52 I65	Y48-L63 HydrophobicContact CE1-CD2 4.21Å; S50-L63 PolarHBondContact N-O 3.3Å; S50-L63 VanDerWaalsContact N-O 3.11Å; S50-L63 PolarHBondContact O-N 3.26Å; A52-L63 HydrophobicContact CB-CB 4.32Å; L63-I65 HydrophobicContact CD1-CD1 4.11Å; L63-I65 HydrophobicContact CD1-CG1 4.02Å; L63-I65 HydrophobicContact CD2-CD1 3.9Å; L63-I65 HydrophobicContact CG-CD1 3.99Å; L63-I65 HydrophobicContact CG-CG1 4.13Å
64	L	85.4	Confident	74.9	Confident	49 Å²	49	81.1 Å²	81.1	26%	0.257	45%	0.446	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.2	117.8	175.4	-166	71.2	0	0	0	110.2	L33 L47 Y48 D49 L89 L113	L33-L64 HydrophobicContact CD2-CD2 3.83Å; L47-L64 HydrophobicContact CD1-CD1 3.47Å; L47-L64 VanDerWaalsContact CD1-CD1 3.47Å; L47-L64 HydrophobicContact CD1-CG 4.11Å; Y48-L64 WeakPolarHBondContact O-CA 3.38Å; D49-L64 HydrophobicContact CB-CD1 4.11Å; L64-L89 HydrophobicContact CD2-CD2 3.88Å; L64-L113 HydrophobicContact CD1-CD2 3.51Å; L64-L113 HydrophobicContact CD2-CD2 4.49Å
65	I	88.1	Confident	75.4	Confident	49 Å²	49	81.9 Å²	81.9	25%	0.251	46%	0.459	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.1	123.4	176	-64.5	166.7	0	0	0	109.4	L47 Y48 L63 L74	L47-I65 WeakPolarHBondContact CA-O 3.28Å; Y48-I65 HydrophobicContact CD1-CB 4.43Å; Y48-I65 HydrophobicContact CD1-CD1 4.26Å; Y48-I65 PolarHBondContact N-O 2.83Å; Y48-I65 PolarHBondContact O-N 2.81Å; L63-I65 HydrophobicContact CD1-CD1 4.11Å; L63-I65 HydrophobicContact CD1-CG1 4.02Å; L63-I65 HydrophobicContact CD2-CD1 3.9Å; L63-I65 HydrophobicContact CG-CD1 3.99Å; L63-I65 HydrophobicContact CG-CG1 4.13Å; I65-L74 HydrophobicContact CD1-CD1 3.46Å; I65-L74 VanDerWaalsContact CD1-CD1 3.46Å; I65-L74 HydrophobicContact CD1-CD2 4.15Å; I65-L74 HydrophobicContact CD1-CG 4.46Å
66	L	91	Very high	75.9	Confident	56 Å²	56	79.2 Å²	79.2	29%	0.293	45%	0.453	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.2	122.9	170.9	-71.2	169.4	0	0	0	108.4	L33 F35 L45 L46 L47	L33-L66 HydrophobicContact CD1-CD1 4.45Å; L33-L66 HydrophobicContact CD2-CD1 3.91Å; L33-L66 HydrophobicContact CG-CD1 4.36Å; F35-L66 HydrophobicContact CB-CD1 3.58Å; F35-L66 HydrophobicContact CB-CD2 4.34Å; F35-L66 HydrophobicContact CD1-CD1 3.88Å; F35-L66 HydrophobicContact CD2-CD1 4.23Å; F35-L66 HydrophobicContact CD2-CD2 3.7Å; F35-L66 HydrophobicContact CE2-CD2 4.11Å; F35-L66 HydrophobicContact CG-CD1 3.65Å; F35-L66 HydrophobicContact CG-CD2 4Å; L45-L66 HydrophobicContact CD1-CB 4.2Å; L45-L66 HydrophobicContact CD1-CD2 4.26Å; L45-L66 HydrophobicContact CD2-CD2 4.35Å; L45-L66 HydrophobicContact CG-CD2 4.3Å; L46-L66 WeakPolarHBondContact O-CA 3.31Å; L47-L66 HydrophobicContact CB-CD2 4.29Å; L47-L66 HydrophobicContact CD1-CD2 3.57Å; L47-L66 HydrophobicContact CD1-CG 4.26Å
67	S	91.8	Very high	76.5	Confident	37 Å²	37	78.2 Å²	78.2	26%	0.259	45%	0.453	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-149.5	145.1	-176.6	177.6	0	0	0	0	111.2	L46 L69	L46-S67 WeakPolarHBondContact CA-O 3.48Å; L46-S67 VanDerWaalsContact CB-O 3.26Å; L46-S67 WeakPolarHBondContact CB-O 3.36Å; L46-S67 PolarHBondContact N-O 2.96Å; L46-S67 PolarHBondContact O-N 3.18Å; S67-L69 VanDerWaalsContact C-N 3.34Å; S67-L69 VanDerWaalsContact CB-O 3.32Å; S67-L69 WeakPolarHBondContact CB-O 3.32Å; S67-L69 PolarHBondContact OG-N 3.48Å; S67-L69 VanDerWaalsContact OG-N 3.11Å; S67-L69 PolarHBondContact OG-O 3.41Å
68	T	90.4	Very high	77.8	Confident	50 Å²	50	74.4 Å²	74.4	31%	0.307	43%	0.434	S	S	.	.	S	Bend	trans	-66.6	-40.5	168.4	-57	0	0	0	0	110.7	S44 D388 R389	S44-T68 PolarHBondContact O-OG1 2.99Å; T68-D388 WeakPolarHBondContact CG2-OD2 3.28Å; T68-R389 WeakPolarHBondContact O-CD 3.35Å; T68-R389 VanDerWaalsContact O-CG 3.25Å; T68-R389 WeakPolarHBondContact O-CG 3.25Å
69	L	89.1	Confident	79.2	Confident	44 Å²	44	69.6 Å²	69.6	23%	0.23	41%	0.408	C	S	.	.	S	Bend	trans	-101.9	148.8	-175	-53.7	-176.5	0	0	0	111.3	S67 P71 L294 R389	S67-L69 VanDerWaalsContact C-N 3.34Å; S67-L69 VanDerWaalsContact CB-O 3.32Å; S67-L69 WeakPolarHBondContact CB-O 3.32Å; S67-L69 PolarHBondContact OG-N 3.48Å; S67-L69 VanDerWaalsContact OG-N 3.11Å; S67-L69 PolarHBondContact OG-O 3.41Å; L69-P71 WeakPolarHBondContact O-CD 3.43Å; L69-L294 HydrophobicContact CD1-CD2 4.48Å; L69-L294 HydrophobicContact CD2-CD2 4.1Å; L69-R389 HydrophobicContact CD2-CB 4.15Å; L69-R389 HydrophobicContact CD2-CG 4.44Å; L69-R389 WeakPolarHBondContact CD2-O 3.47Å
70	N	82.7	Confident	80.4	Confident	24 Å²	24	63.6 Å²	63.6	13%	0.128	38%	0.38	C	S	.	.			trans	-71.3	112.2	174.9	-163.2	-30.2	0	0	0	109.4	L46 S78 R293	L46-N70 HydrophobicContact CD1-CB 3.87Å; N70-S78 PolarHBondContact ND2-OG 2.77Å; N70-R293 HydrophobicContact CB-CG 4.23Å; N70-R293 PolarHBondContact O-NH1 2.88Å
71	P	76.2	Confident	81.4	Confident	38 Å²	38	56.4 Å²	56.4	25%	0.247	35%	0.347	C	S	.	.			trans	-63.6	144.3	-174.2	26.3	-34.5	0	0	0	111.8	L69 L74	L69-P71 WeakPolarHBondContact O-CD 3.43Å; P71-L74 HydrophobicContact CB-CD1 3.92Å; P71-L74 HydrophobicContact CB-CG 4.04Å; P71-L74 HydrophobicContact CG-CB 4.31Å; P71-L74 HydrophobicContact CG-CD1 3.2Å; P71-L74 HydrophobicContact CG-CG 3.71Å
72	V	79.3	Confident	82.1	Confident	110 Å²	110	55.8 Å²	55.8	67%	0.667	34%	0.339	S	S	*	.	T	Hydrogen-bonded Turn	trans	-75.9	134	175.8	-175	0	0	0	0	109.1
73	G	74.5	Confident	82.6	Confident	75 Å²	75	51.8 Å²	51.8	77%	0.773	32%	0.324	S	S	*	.	T	Hydrogen-bonded Turn	trans	84.2	4.7	167.8	0	0	0	0	0	116
74	L	73.3	Confident	82.9	Confident	53 Å²	53	49 Å²	49	28%	0.277	31%	0.309	S	S	.	.			trans	-79.2	135.5	170.5	-66.6	-169.7	0	0	0	111.3	Y48 I65 P71	Y48-L74 HydrophobicContact CD1-CD1 3.81Å; Y48-L74 HydrophobicContact CD2-CB 4.37Å; Y48-L74 HydrophobicContact CD2-CD1 4.06Å; Y48-L74 HydrophobicContact CE1-CD1 4.09Å; Y48-L74 HydrophobicContact CE2-CB 4.01Å; Y48-L74 HydrophobicContact CE2-CD1 4.33Å; Y48-L74 HydrophobicContact CG-CD1 3.78Å; I65-L74 HydrophobicContact CD1-CD1 3.46Å; I65-L74 VanDerWaalsContact CD1-CD1 3.46Å; I65-L74 HydrophobicContact CD1-CD2 4.15Å; I65-L74 HydrophobicContact CD1-CG 4.46Å; P71-L74 HydrophobicContact CB-CD1 3.92Å; P71-L74 HydrophobicContact CB-CG 4.04Å; P71-L74 HydrophobicContact CG-CB 4.31Å; P71-L74 HydrophobicContact CG-CD1 3.2Å; P71-L74 HydrophobicContact CG-CG 3.71Å
75	P	66.4	Low	83.1	Confident	96 Å²	96	46.7 Å²	46.7	62%	0.623	30%	0.297	S	S	*	.	S	Bend	trans	-76.6	126.7	177.1	28.6	-31.2	0	0	0	111.1	Y48	Y48-P75 WeakPolarHBondContact CE2-O 3.45Å; Y48-P75 VanDerWaalsContact CZ-O 3.24Å; Y48-P75 WeakPolarHBondContact OH-CG 3.46Å; Y48-P75 PolarHBondContact OH-O 3.36Å
76	G	67.9	Low	83.2	Confident	62 Å²	62	46.4 Å²	46.4	64%	0.639	30%	0.296	S	S	*	.	S	Bend	trans	105.8	-177.5	176.6	0	0	0	0	0	114.3
77	N	71.2	Confident	83.2	Confident	153 Å²	153	43.7 Å²	43.7	82%	0.818	28%	0.282	S	S	*	.	P	Polyproline II helix	trans	-100.3	136	-177.9	-70.9	-34.3	0	0	0	110.8
78	S	81.5	Confident	83.2	Confident	18 Å²	18	42.4 Å²	42.4	13%	0.126	27%	0.272	C	S	.	.	P	Polyproline II helix	trans	-75.6	141	166.8	61.7	0	0	0	0	110.8	L47 N70	L47-S78 CarbonylContact O-C 3.56Å; L47-S78 WeakPolarHBondContact O-CA 3.49Å; N70-S78 PolarHBondContact ND2-OG 2.77Å
79	L	86.3	Confident	83.2	Confident	85 Å²	85	40.1 Å²	40.1	45%	0.445	26%	0.258	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.7	136.5	167	-178.1	68.7	0	0	0	109.5	L46 L47 C112	L46-L79 CarbonylContact C-O 3.5Å; L46-L79 WeakPolarHBondContact CA-O 3.49Å; L47-L79 PolarHBondContact N-O 3.25Å; L47-L79 PolarHBondContact O-N 3.2Å; L79-C112 HydrophobicContact CD2-CB 3.7Å
80	E	88.6	Confident	83.1	Confident	22 Å²	22	41 Å²	41	10%	0.103	26%	0.26	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.9	124.4	167.3	-177.4	174	-92.3	0	0	109.4	R37 L46 P297 H381 S385 R389	R37-E80 IonicContact CZ-OE2 3.98Å; R37-E80 VanDerWaalsContact NH1-CG 3.34Å; R37-E80 IonicContact NH1-OE2 3.41Å; R37-E80 PolarHBondContact NH1-OE2 2.87Å; L46-E80 HydrophobicContact CD2-CB 3.92Å; L46-E80 HydrophobicContact CD2-CG 4.23Å; E80-P297 HydrophobicContact CB-CG 3.77Å; E80-H381 IonicContact OE2-ND1 3.58Å; E80-S385 WeakPolarHBondContact OE1-CB 3.13Å; E80-S385 PolarHBondContact OE1-OG 2.98Å; E80-S385 PolarHBondContact OE2-OG 2.91Å; E80-R389 IonicContact OE1-CZ 3.7Å; E80-R389 IonicContact OE1-NH1 2.64Å; E80-R389 PolarHBondContact OE1-NH1 2.97Å; E80-R389 IonicContact OE1-NH2 3.27Å
81	V	90.5	Very high	83.3	Confident	0 Å²	0	44.1 Å²	44.1	0%	0	28%	0.276	C	S	.	.	P	Polyproline II helix	trans	-59	136.9	176.8	179.5	0	0	0	0	108.8	F35 R37 L45 L47	F35-V81 HydrophobicContact CD2-CG2 4.32Å; F35-V81 HydrophobicContact CE2-CG2 4.36Å; R37-V81 WeakPolarHBondContact CD-O 3.37Å; R37-V81 HydrophobicContact CG-CB 4.38Å; R37-V81 HydrophobicContact CG-CG1 4.45Å; R37-V81 PolarHBondContact NH1-O 2.67Å; L45-V81 HydrophobicContact CB-CB 4.24Å; L45-V81 HydrophobicContact CB-CG2 4.25Å; L45-V81 HydrophobicContact CD2-CB 4.21Å; L45-V81 HydrophobicContact CD2-CG1 4.38Å; L45-V81 HydrophobicContact CD2-CG2 3.88Å; L45-V81 HydrophobicContact CG-CB 4.3Å; L45-V81 HydrophobicContact CG-CG2 3.82Å; L45-V81 PolarHBondContact O-N 2.89Å; L47-V81 HydrophobicContact CB-CG2 3.97Å
82	P	88.9	Confident	83.6	Confident	7 Å²	7	47.4 Å²	47.4	5%	0.045	30%	0.3	C	S	.	.	P	Polyproline II helix	trans	-62.7	144	-178.6	-19.8	28.5	0	0	0	113.2	T85 A109	P82-T85 HydrophobicContact CB-CG2 4.02Å; P82-T85 PolarHBondContact O-OG1 2.78Å; P82-A109 HydrophobicContact CG-CB 4.49Å; P82-A109 WeakPolarHBondContact CG-O 3.27Å
83	V	89.7	Confident	83.6	Confident	1 Å²	1	44.6 Å²	44.6	1%	0.006	29%	0.294	C	S	.	.	T	Hydrogen-bonded Turn	trans	-63.6	142.2	172.9	175.9	0	0	0	0	109.7	R37 D38 C39 T85 H381	R37-V83 VanDerWaalsContact CZ-CG2 3.47Å; D38-V83 WeakPolarHBondContact O-CG1 3.41Å; C39-V83 WeakPolarHBondContact O-CG1 3.29Å; V83-T85 VanDerWaalsContact C-N 3.31Å; V83-T85 PolarHBondContact O-N 2.86Å; V83-H381 WeakPolarHBondContact CB-NE2 3.45Å; V83-H381 WeakPolarHBondContact CG2-NE2 3.44Å; V83-H381 PolarHBondContact N-CE1 2.89Å; V83-H381 PolarHBondContact N-NE2 2.71Å
84	G	89.1	Confident	84	Confident	0 Å²	0	44.5 Å²	44.5	0%	0	27%	0.274	C	S	.	.	T	Hydrogen-bonded Turn	trans	69.6	25.8	176.5	0	0	0	0	0	114.6	R37 D38 L101	R37-G84 PolarHBondContact O-N 2.69Å; D38-G84 PolarHBondContact O-N 2.92Å; G84-L101 WeakPolarHBondContact O-CB 3.42Å; G84-L101 WeakPolarHBondContact O-CG 3.38Å; G84-L101 PolarHBondContact O-N 3.36Å
85	T	88.7	Confident	84.5	Confident	0 Å²	0	44.9 Å²	44.9	0%	0	28%	0.279	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.4	131.5	176.1	62.3	0	0	0	0	110.4	G36 R37 P82 V83 H87 T105	G36-T85 CarbonylContact C-O 3.46Å; G36-T85 WeakPolarHBondContact CA-O 3.03Å; R37-T85 PolarHBondContact N-O 3.1Å; R37-T85 PolarHBondContact O-N 3.44Å; P82-T85 HydrophobicContact CB-CG2 4.02Å; P82-T85 PolarHBondContact O-OG1 2.78Å; V83-T85 VanDerWaalsContact C-N 3.31Å; V83-T85 PolarHBondContact O-N 2.86Å; T85-H87 WeakPolarHBondContact CB-NE2 3.44Å; T85-H87 PolarHBondContact OG1-NE2 3.44Å; T85-T105 HydrophobicContact CG2-CG2 4.39Å
86	L	90.4	Very high	85.4	Confident	43 Å²	43	40.3 Å²	40.3	23%	0.225	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.8	141.7	167	-59.6	171.8	0	0	0	108.6	L15 F35 F99 L101	L15-L86 HydrophobicContact CD2-CD1 4.15Å; F35-L86 CarbonylContact O-C 3.46Å; L86-F99 HydrophobicContact CB-CB 4.14Å; L86-F99 PolarHBondContact N-O 3.38Å; L86-F99 PolarHBondContact O-N 2.88Å; L86-L101 HydrophobicContact CD1-CD2 4.19Å; L86-L101 HydrophobicContact CG-CD2 4.47Å
87	H	90.6	Very high	86.5	Confident	0 Å²	0	38 Å²	38	0%	0	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.8	132.3	-170.8	-64.7	-81.4	0	0	0	107.9	W34 F35 T85 Y96 T110	W34-H87 VanDerWaalsContact CA-O 3.3Å; W34-H87 WeakPolarHBondContact CA-O 3.26Å; F35-H87 HydrophobicContact CD1-CB 3.89Å; F35-H87 HydrophobicContact CD2-CB 3.85Å; F35-H87 HydrophobicContact CE1-CB 3.6Å; F35-H87 HydrophobicContact CE2-CB 3.55Å; F35-H87 AromaticContact CE2-CD2 3.81Å; F35-H87 AromaticContact CE2-CG 3.63Å; F35-H87 HydrophobicContact CG-CB 4.01Å; F35-H87 HydrophobicContact CZ-CB 3.43Å; F35-H87 VanDerWaalsContact CZ-CB 3.43Å; F35-H87 AromaticContact CZ-CG 3.87Å; F35-H87 PolarHBondContact N-O 2.91Å; F35-H87 WeakPolarHBondContact O-CA 3.19Å; F35-H87 VanDerWaalsContact O-CB 3.32Å; F35-H87 WeakPolarHBondContact O-CB 3.42Å; F35-H87 PolarHBondContact O-N 3.45Å; T85-H87 WeakPolarHBondContact CB-NE2 3.44Å; T85-H87 PolarHBondContact OG1-NE2 3.44Å; H87-Y96 HydrophobicContact CB-CE2 3.86Å; H87-Y96 PolarHBondContact CE1-OH 3.33Å; H87-Y96 AromaticContact CG-CE2 3.95Å; H87-Y96 AromaticContact ND1-CE2 3.3Å; H87-Y96 VanDerWaalsContact ND1-CE2 3.3Å; H87-Y96 WeakPolarHBondContact ND1-CE2 3.2Å; H87-Y96 AromaticContact ND1-CZ 3.33Å; H87-Y96 VanDerWaalsContact ND1-CZ 3.33Å; H87-Y96 PolarHBondContact ND1-OH 3.44Å; H87-T110 PolarHBondContact CE1-O 3.4Å
88	C	91.8	Very high	87.3	Confident	9 Å²	9	30.7 Å²	30.7	6%	0.061	18%	0.184	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.3	115.9	172.8	-179	0	0	0	0	108.6	W34 Y96 S97 F99	W34-C88 HydrophobicContact CD2-CB 3.93Å; W34-C88 VanDerWaalsContact CE2-SG 3.51Å; W34-C88 HydrophobicContact CE3-CB 3.83Å; W34-C88 HydrophobicContact CH2-CB 3.76Å; W34-C88 HydrophobicContact CZ2-CB 3.83Å; W34-C88 VanDerWaalsContact CZ2-SG 3.51Å; W34-C88 HydrophobicContact CZ3-CB 3.75Å; C88-Y96 CarbonylContact O-C 3.54Å; C88-Y96 WeakPolarHBondContact O-CA 3.42Å; C88-S97 PolarHBondContact N-O 2.99Å; C88-S97 PolarHBondContact O-N 3.42Å; C88-F99 HydrophobicContact CB-CE2 3.89Å
89	L	89.7	Confident	87.7	Confident	2 Å²	2	31.6 Å²	31.6	1%	0.01	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.6	113.9	174.8	176.9	66.4	0	0	0	109	C32 L33 L64 L91 M94 L113	C32-L89 CarbonylContact C-O 3.42Å; C32-L89 VanDerWaalsContact CA-O 3.3Å; C32-L89 WeakPolarHBondContact CA-O 3.31Å; L33-L89 HydrophobicContact CB-CB 4.41Å; L33-L89 PolarHBondContact N-O 2.86Å; L33-L89 PolarHBondContact O-N 2.99Å; L64-L89 HydrophobicContact CD2-CD2 3.88Å; L89-L91 HydrophobicContact CD2-CD2 4.08Å; L89-L91 HydrophobicContact CG-CD2 4.28Å; L89-L91 PolarHBondContact O-N 3.47Å; L89-M94 HydrophobicContact CD1-SD 4.37Å; L89-M94 HydrophobicContact CD2-SD 4.42Å; L89-L113 HydrophobicContact CD1-CD1 4.04Å; L89-L113 HydrophobicContact CD2-CD1 4.39Å
90	K	88.9	Confident	87.7	Confident	63 Å²	63	27.5 Å²	27.5	27%	0.274	16%	0.164	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-78.3	115.2	170.7	-51.1	-163	179.2	-162.4	0	109	E30 S92 M94 T95	E30-K90 VanDerWaalsContact CD-NZ 3.31Å; E30-K90 IonicContact OE1-NZ 3.81Å; E30-K90 PolarHBondContact OE1-NZ 3.03Å; E30-K90 WeakPolarHBondContact OE2-CE 3.38Å; E30-K90 IonicContact OE2-NZ 2.73Å; E30-K90 PolarHBondContact OE2-NZ 3.48Å; K90-S92 VanDerWaalsContact C-N 3.34Å; K90-S92 PolarHBondContact O-N 2.92Å; K90-M94 WeakPolarHBondContact O-CA 3.43Å; K90-M94 PolarHBondContact O-N 3.31Å; K90-T95 WeakPolarHBondContact CB-OG1 3.2Å; K90-T95 WeakPolarHBondContact CD-OG1 3.41Å; K90-T95 WeakPolarHBondContact CG-OG1 3.18Å; K90-T95 PolarHBondContact N-O 3.26Å; K90-T95 PolarHBondContact O-N 3.16Å
91	L	85.4	Confident	87.6	Confident	89 Å²	89	26.8 Å²	26.8	47%	0.466	16%	0.161	S	C	.	.	T	Hydrogen-bonded Turn	trans	-71.5	-26.9	-173	-59.7	175.3	0	0	0	113.1	N31 L33 L89 G93	N31-L91 HydrophobicContact CB-CB 4.22Å; N31-L91 HydrophobicContact CB-CD1 4.34Å; N31-L91 VanDerWaalsContact O-CB 3.25Å; N31-L91 WeakPolarHBondContact O-CB 3.38Å; N31-L91 VanDerWaalsContact O-CG 3.28Å; N31-L91 WeakPolarHBondContact O-CG 3.33Å; N31-L91 PolarHBondContact O-N 3.45Å; L33-L91 HydrophobicContact CB-CD2 4.32Å; L89-L91 HydrophobicContact CD2-CD2 4.08Å; L89-L91 HydrophobicContact CG-CD2 4.28Å; L89-L91 PolarHBondContact O-N 3.47Å; L91-G93 VanDerWaalsContact C-N 3.34Å; L91-G93 PolarHBondContact O-N 3Å
92	S	82.7	Confident	87	Confident	107 Å²	107	27 Å²	27	75%	0.748	16%	0.162	S	C	*	.	T	Hydrogen-bonded Turn	trans	-70.4	-26.7	-178.3	50.7	0	0	0	0	114.2	K90	K90-S92 VanDerWaalsContact C-N 3.34Å; K90-S92 PolarHBondContact O-N 2.92Å
93	G	79.3	Confident	85.9	Confident	51 Å²	51	29.3 Å²	29.3	53%	0.526	18%	0.179	S	C	.	.	T	Hydrogen-bonded Turn	trans	-131.3	4.3	-179.4	0	0	0	0	0	114.1	L91 T95	L91-G93 VanDerWaalsContact C-N 3.34Å; L91-G93 PolarHBondContact O-N 3Å; G93-T95 PolarHBondContact O-N 3.28Å; G93-T95 VanDerWaalsContact O-N 3.07Å
94	M	82.3	Confident	84.6	Confident	73 Å²	73	32.5 Å²	32.5	36%	0.36	20%	0.201	S	C	.	.	T	Hydrogen-bonded Turn	trans	50.6	30.1	-173.6	-62.5	-67.3	-86.7	0	0	113.2	L89 K90 I116	L89-M94 HydrophobicContact CD1-SD 4.37Å; L89-M94 HydrophobicContact CD2-SD 4.42Å; K90-M94 WeakPolarHBondContact O-CA 3.43Å; K90-M94 PolarHBondContact O-N 3.31Å; M94-I116 HydrophobicContact CB-CD1 4.23Å; M94-I116 HydrophobicContact CE-CD1 4.23Å
95	T	85	Confident	83.1	Confident	61 Å²	61	33 Å²	33	37%	0.374	20%	0.204	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.4	139.2	175	60.9	0	0	0	0	109.6	K90 G93	K90-T95 WeakPolarHBondContact CB-OG1 3.2Å; K90-T95 WeakPolarHBondContact CD-OG1 3.41Å; K90-T95 WeakPolarHBondContact CG-OG1 3.18Å; K90-T95 PolarHBondContact N-O 3.26Å; K90-T95 PolarHBondContact O-N 3.16Å; G93-T95 PolarHBondContact O-N 3.28Å; G93-T95 VanDerWaalsContact O-N 3.07Å
96	Y	85.3	Confident	81.4	Confident	1 Å²	1	37 Å²	37	0%	0.004	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.3	129.7	-166.7	166.8	-127.5	0	0	0	110.2	H87 C88 I98 T110 C112 L113 I116 P118 S119	H87-Y96 HydrophobicContact CB-CE2 3.86Å; H87-Y96 PolarHBondContact CE1-OH 3.33Å; H87-Y96 AromaticContact CG-CE2 3.95Å; H87-Y96 AromaticContact ND1-CE2 3.3Å; H87-Y96 VanDerWaalsContact ND1-CE2 3.3Å; H87-Y96 WeakPolarHBondContact ND1-CE2 3.2Å; H87-Y96 AromaticContact ND1-CZ 3.33Å; H87-Y96 VanDerWaalsContact ND1-CZ 3.33Å; H87-Y96 PolarHBondContact ND1-OH 3.44Å; C88-Y96 CarbonylContact O-C 3.54Å; C88-Y96 WeakPolarHBondContact O-CA 3.42Å; Y96-I98 HydrophobicContact CE1-CD1 3.83Å; Y96-I98 HydrophobicContact CE1-CG1 3.94Å; Y96-I98 HydrophobicContact CE2-CG1 4.01Å; Y96-I98 WeakPolarHBondContact OH-CD1 3.45Å; Y96-T110 PolarHBondContact OH-O 2.82Å; Y96-C112 PolarHBondContact OH-SG 3.29Å; Y96-L113 HydrophobicContact CD1-CD1 4.35Å; Y96-L113 HydrophobicContact CD2-CD1 3.89Å; Y96-L113 HydrophobicContact CE2-CD1 4.18Å; Y96-L113 HydrophobicContact CG-CD1 3.98Å; Y96-I116 HydrophobicContact CD1-CG2 4.22Å; Y96-I116 HydrophobicContact CG-CG2 4.35Å; Y96-P118 HydrophobicContact CD1-CB 4.09Å; Y96-P118 HydrophobicContact CD1-CG 3.93Å; Y96-P118 HydrophobicContact CE1-CB 4.24Å; Y96-P118 HydrophobicContact CE1-CG 3.69Å; Y96-P118 CarbonylContact O-C 3.55Å; Y96-P118 VanDerWaalsContact O-CA 3.26Å; Y96-P118 WeakPolarHBondContact O-CA 3.47Å; Y96-S119 PolarHBondContact O-N 2.86Å; Y96-S119 PolarHBondContact O-OG 2.89Å
97	S	89.7	Confident	79.3	Confident	13 Å²	13	40.1 Å²	40.1	9%	0.091	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.9	146.9	178.4	-49	0	0	0	0	110.6	C88 S119	C88-S97 PolarHBondContact N-O 2.99Å; C88-S97 PolarHBondContact O-N 3.42Å; S97-S119 PolarHBondContact OG-OG 2.92Å
98	I	88.7	Confident	77.2	Confident	0 Å²	0	45.2 Å²	45.2	0%	0	29%	0.288	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.5	135.2	-177.1	-57.9	178.2	0	0	0	110	Y96 Q100 T110 P118 E120 I121 T122	Y96-I98 HydrophobicContact CE1-CD1 3.83Å; Y96-I98 HydrophobicContact CE1-CG1 3.94Å; Y96-I98 HydrophobicContact CE2-CG1 4.01Å; Y96-I98 WeakPolarHBondContact OH-CD1 3.45Å; I98-Q100 HydrophobicContact CG2-CG 4.13Å; I98-T110 WeakPolarHBondContact CD1-O 3.32Å; I98-P118 HydrophobicContact CD1-CB 3.91Å; I98-P118 HydrophobicContact CD1-CG 3.39Å; I98-P118 HydrophobicContact CG1-CB 4.06Å; I98-P118 HydrophobicContact CG1-CG 4.06Å; I98-E120 PolarHBondContact N-O 3.25Å; I98-I121 HydrophobicContact CB-CG1 4.41Å; I98-I121 CarbonylContact O-C 3.55Å; I98-I121 VanDerWaalsContact O-CA 3.29Å; I98-I121 WeakPolarHBondContact O-CA 3.21Å; I98-T122 PolarHBondContact O-N 3.37Å
99	F	89.6	Confident	75.4	Confident	36 Å²	36	47 Å²	47	16%	0.158	30%	0.303	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.5	103.9	173.7	-57.2	-95.7	0	0	0	107.7	W34 L86 C88 T122 Y124	W34-F99 HydrophobicContact CH2-CD2 4.22Å; W34-F99 AromaticContact CH2-CE2 3.49Å; W34-F99 HydrophobicContact CH2-CE2 3.49Å; W34-F99 VanDerWaalsContact CH2-CE2 3.49Å; W34-F99 AromaticContact CH2-CZ 3.71Å; W34-F99 HydrophobicContact CH2-CZ 3.71Å; W34-F99 AromaticContact CZ3-CD2 3.7Å; W34-F99 HydrophobicContact CZ3-CD2 3.7Å; W34-F99 AromaticContact CZ3-CE2 3.41Å; W34-F99 HydrophobicContact CZ3-CE2 3.41Å; W34-F99 VanDerWaalsContact CZ3-CE2 3.41Å; W34-F99 HydrophobicContact CZ3-CZ 4.06Å; L86-F99 HydrophobicContact CB-CB 4.14Å; L86-F99 PolarHBondContact N-O 3.38Å; L86-F99 PolarHBondContact O-N 2.88Å; C88-F99 HydrophobicContact CB-CE2 3.89Å; F99-T122 CarbonylContact C-O 3.59Å; F99-T122 WeakPolarHBondContact CA-O 3.23Å; F99-T122 HydrophobicContact CD1-CG2 4.27Å; F99-Y124 HydrophobicContact CB-CE2 3.94Å; F99-Y124 AromaticContact CD1-CE2 3.9Å; F99-Y124 HydrophobicContact CD1-CE2 3.9Å; F99-Y124 HydrophobicContact CG-CE2 4.41Å
100	Q	87.2	Confident	73.8	Confident	0 Å²	0	47.2 Å²	47.2	0%	0	31%	0.305	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.7	124.5	177.5	-63.1	-172.7	-52.6	0	0	109.7	I98 F102 I121 T122 K123 Y124	I98-Q100 HydrophobicContact CG2-CG 4.13Å; Q100-F102 VanDerWaalsContact C-N 3.27Å; Q100-F102 PolarHBondContact O-N 3.42Å; Q100-I121 HydrophobicContact CG-CG2 3.93Å; Q100-T122 PolarHBondContact N-O 2.91Å; Q100-K123 HydrophobicContact CB-CG 4.44Å; Q100-K123 VanDerWaalsContact OE1-CE 3.27Å; Q100-Y124 WeakPolarHBondContact O-CD2 3.39Å; Q100-Y124 PolarHBondContact O-N 3Å
101	L	85.7	Confident	72.4	Confident	6 Å²	6	46.2 Å²	46.2	3%	0.031	31%	0.313	C	S	.	.	S	Bend	trans	-75.3	-15.8	179.6	-59.1	-173.3	0	0	0	112.9	C39 G84 L86 Y124 F127	C39-L101 HydrophobicContact CB-CD1 4.44Å; G84-L101 WeakPolarHBondContact O-CB 3.42Å; G84-L101 WeakPolarHBondContact O-CG 3.38Å; G84-L101 PolarHBondContact O-N 3.36Å; L86-L101 HydrophobicContact CD1-CD2 4.19Å; L86-L101 HydrophobicContact CG-CD2 4.47Å; L101-Y124 CarbonylContact C-O 3.56Å; L101-Y124 VanDerWaalsContact C-O 3.22Å; L101-F127 HydrophobicContact CB-CB 4.49Å; L101-F127 HydrophobicContact CB-CD2 3.87Å; L101-F127 HydrophobicContact CB-CE2 4.39Å; L101-F127 HydrophobicContact CB-CG 4.23Å; L101-F127 HydrophobicContact CD2-CD2 4.29Å; L101-F127 HydrophobicContact CD2-CE2 3.97Å; L101-F127 VanDerWaalsContact O-CB 3.27Å; L101-F127 WeakPolarHBondContact O-CB 3.35Å; L101-F127 VanDerWaalsContact O-CD2 3.3Å; L101-F127 WeakPolarHBondContact O-CD2 3.32Å
102	F	79.1	Confident	71.8	Confident	4 Å²	4	42.4 Å²	42.4	2%	0.018	29%	0.293	C	S	.	.	S	Bend	trans	-146.2	156.7	175.5	41.4	-99.6	0	0	0	112.2	C39 Q100 S104 T105 Y124 N128 F131 F377	C39-F102 HydrophobicContact CB-CD1 4.39Å; C39-F102 HydrophobicContact CB-CE1 4.23Å; Q100-F102 VanDerWaalsContact C-N 3.27Å; Q100-F102 PolarHBondContact O-N 3.42Å; F102-S104 PolarHBondContact O-N 2.9Å; F102-T105 WeakPolarHBondContact CD2-OG1 3.42Å; F102-T105 HydrophobicContact CE2-CG2 3.88Å; F102-T105 WeakPolarHBondContact CE2-OG1 3.49Å; F102-T105 PolarHBondContact O-OG1 3.31Å; F102-Y124 WeakPolarHBondContact CA-O 3.44Å; F102-N128 WeakPolarHBondContact CA-OD1 3.26Å; F102-N128 WeakPolarHBondContact CB-OD1 3.37Å; F102-F131 HydrophobicContact CD1-CE2 4.42Å; F102-F377 AromaticContact CD2-CE2 3.43Å; F102-F377 HydrophobicContact CD2-CE2 3.43Å; F102-F377 VanDerWaalsContact CD2-CE2 3.43Å; F102-F377 AromaticContact CD2-CZ 3.79Å; F102-F377 HydrophobicContact CD2-CZ 3.79Å; F102-F377 HydrophobicContact CE1-CE2 4.44Å; F102-F377 HydrophobicContact CE2-CD2 4.33Å; F102-F377 HydrophobicContact CE2-CE1 4.44Å; F102-F377 AromaticContact CE2-CE2 3.2Å; F102-F377 HydrophobicContact CE2-CE2 3.2Å; F102-F377 AromaticContact CE2-CZ 3.28Å; F102-F377 HydrophobicContact CE2-CZ 3.28Å; F102-F377 HydrophobicContact CG-CE2 4.17Å; F102-F377 AromaticContact CZ-CE2 3.78Å; F102-F377 HydrophobicContact CZ-CE2 3.78Å; F102-F377 HydrophobicContact CZ-CZ 4.04Å
103	S	64.9	Low	71.4	Confident	57 Å²	57	37.9 Å²	37.9	40%	0.399	26%	0.26	S	S	.	.	T	Hydrogen-bonded Turn	trans	-76.2	-19.3	-172.3	53.3	0	0	0	0	114.8	N128	S103-N128 PolarHBondContact N-OD1 3.33Å; S103-N128 PolarHBondContact OG-ND2 2.89Å
104	S	61.8	Low	71.2	Confident	68 Å²	68	38.7 Å²	38.7	48%	0.476	26%	0.258	S	S	.	.	T	Hydrogen-bonded Turn	trans	-93.6	2.4	-171.6	49.4	0	0	0	0	114.8	F102 P106 F377	F102-S104 PolarHBondContact O-N 2.9Å; S104-P106 WeakPolarHBondContact O-CD 3.38Å; S104-F377 VanDerWaalsContact OG-CE2 3.23Å; S104-F377 WeakPolarHBondContact OG-CE2 3.38Å
105	T	58.7	Low	70.8	Confident	9 Å²	9	39.5 Å²	39.5	6%	0.055	29%	0.285	C	S	.	.	S	Bend	trans	-65.4	120.8	175.4	-25.7	0	0	0	0	109.5	T85 F102 L107	T85-T105 HydrophobicContact CG2-CG2 4.39Å; F102-T105 WeakPolarHBondContact CD2-OG1 3.42Å; F102-T105 HydrophobicContact CE2-CG2 3.88Å; F102-T105 WeakPolarHBondContact CE2-OG1 3.49Å; F102-T105 PolarHBondContact O-OG1 3.31Å; T105-L107 PolarHBondContact O-N 2.95Å
106	P	52.2	Low	70.5	Confident	84 Å²	84	38 Å²	38	55%	0.545	27%	0.274	S	S	.	.			trans	-56	126.8	179.1	-23.2	32.3	0	0	0	110.9	S104 A108 A109	S104-P106 WeakPolarHBondContact O-CD 3.38Å; P106-A108 PolarHBondContact O-N 2.95Å; P106-A108 VanDerWaalsContact O-N 3.12Å; P106-A109 WeakPolarHBondContact O-CB 3.13Å; P106-A109 PolarHBondContact O-N 2.99Å
107	L	47.3	Very low	70.3	Confident	110 Å²	110	42.9 Å²	42.9	58%	0.576	31%	0.309	S	S	*	.	G	3₁₀ helix	trans	-56.4	-29	-179.7	-109.5	83.7	0	0	0	112.9	T105 A109 T110	T105-L107 PolarHBondContact O-N 2.95Å; L107-A109 PolarHBondContact O-N 3.06Å; L107-T110 PolarHBondContact O-N 3.32Å; L107-T110 PolarHBondContact O-OG1 3.34Å
108	A	46.1	Very low	70	Confident	107 Å²	107	44.1 Å²	44.1	88%	0.884	32%	0.317	S	S	*	.	G	3₁₀ helix	trans	-64.7	-18.8	178.4	0	0	0	0	0	113.4	P106	P106-A108 PolarHBondContact O-N 2.95Å; P106-A108 VanDerWaalsContact O-N 3.12Å
109	A	53.3	Low	69.8	Low	45 Å²	45	48.1 Å²	48.1	37%	0.372	35%	0.345	S	S	.	.	G	3₁₀ helix	trans	-91.4	-7.8	180	0	0	0	0	0	113.3	P82 P106 L107	P82-A109 HydrophobicContact CG-CB 4.49Å; P82-A109 WeakPolarHBondContact CG-O 3.27Å; P106-A109 WeakPolarHBondContact O-CB 3.13Å; P106-A109 PolarHBondContact O-N 2.99Å; L107-A109 PolarHBondContact O-N 3.06Å
110	T	56.9	Low	69.7	Low	8 Å²	8	51.9 Å²	51.9	5%	0.049	36%	0.363	C	S	.	.	S	Bend	trans	-82	-34.5	-162.2	57	0	0	0	0	113.9	H87 Y96 I98 L107 C112	H87-T110 PolarHBondContact CE1-O 3.4Å; Y96-T110 PolarHBondContact OH-O 2.82Å; I98-T110 WeakPolarHBondContact CD1-O 3.32Å; L107-T110 PolarHBondContact O-N 3.32Å; L107-T110 PolarHBondContact O-OG1 3.34Å; T110-C112 PolarHBondContact O-N 2.84Å
111	G	60	Low	69.6	Low	42 Å²	42	54.9 Å²	54.9	43%	0.433	38%	0.378	S	S	.	.			trans	-77.9	114.3	176.3	0	0	0	0	0	111.3
112	C	71.8	Confident	69.6	Low	9 Å²	9	56.4 Å²	56.4	6%	0.061	39%	0.388	C	S	.	.			trans	-100.8	-17.6	177.1	63.6	0	0	0	0	113.7	L47 L79 Y96 T110	L47-C112 HydrophobicContact CD2-CB 3.47Å; L47-C112 VanDerWaalsContact CD2-CB 3.47Å; L47-C112 WeakPolarHBondContact CD2-O 2.96Å; L47-C112 VanDerWaalsContact CD2-SG 3.54Å; L79-C112 HydrophobicContact CD2-CB 3.7Å; Y96-C112 PolarHBondContact OH-SG 3.29Å; T110-C112 PolarHBondContact O-N 2.84Å
113	L	75.2	Confident	69.8	Low	11 Å²	11	61.5 Å²	61.5	6%	0.058	41%	0.41	C	S	.	.	S	Bend	trans	-95	124.7	-178.3	-64.4	172.9	0	0	0	111.3	L47 L64 L89 Y96 G115 I116	L47-L113 HydrophobicContact CD1-CD2 4.34Å; L47-L113 HydrophobicContact CD2-CD2 4.03Å; L64-L113 HydrophobicContact CD1-CD2 3.51Å; L64-L113 HydrophobicContact CD2-CD2 4.49Å; L89-L113 HydrophobicContact CD1-CD1 4.04Å; L89-L113 HydrophobicContact CD2-CD1 4.39Å; Y96-L113 HydrophobicContact CD1-CD1 4.35Å; Y96-L113 HydrophobicContact CD2-CD1 3.89Å; Y96-L113 HydrophobicContact CE2-CD1 4.18Å; Y96-L113 HydrophobicContact CG-CD1 3.98Å; L113-G115 PolarHBondContact O-N 3.37Å; L113-I116 HydrophobicContact CB-CB 4.17Å; L113-I116 HydrophobicContact CD1-CD1 4.36Å; L113-I116 PolarHBondContact O-N 3.13Å
114	S	75.3	Confident	70.4	Confident	69 Å²	69	63.7 Å²	63.7	48%	0.483	41%	0.41	S	S	.	.	T	Hydrogen-bonded Turn	trans	-63	129.4	176.6	65.5	0	0	0	0	111.2	D49 R62 I116	D49-S114 WeakPolarHBondContact OD2-CB 3.49Å; D49-S114 PolarHBondContact OD2-N 3.22Å; D49-S114 PolarHBondContact OD2-OG 3.33Å; R62-S114 PolarHBondContact NH1-O 3.43Å; R62-S114 PolarHBondContact NH2-O 3.14Å; S114-I116 PolarHBondContact O-N 3.03Å; S114-I116 VanDerWaalsContact O-N 3.12Å
115	G	73.9	Confident	71.1	Confident	90 Å²	90	68.1 Å²	68.1	93%	0.928	42%	0.421	S	S	*	.	T	Hydrogen-bonded Turn	trans	68.9	4.7	177.5	0	0	0	0	0	116.7	L113	L113-G115 PolarHBondContact O-N 3.37Å
116	I	76.9	Confident	71.8	Confident	28 Å²	28	71.5 Å²	71.5	14%	0.144	44%	0.439	C	S	.	.			trans	-117.1	114.2	173.4	-60.1	173.5	0	0	0	109.1	R62 M94 Y96 L113 S114	R62-I116 VanDerWaalsContact NH1-CG1 3.3Å; M94-I116 HydrophobicContact CB-CD1 4.23Å; M94-I116 HydrophobicContact CE-CD1 4.23Å; Y96-I116 HydrophobicContact CD1-CG2 4.22Å; Y96-I116 HydrophobicContact CG-CG2 4.35Å; L113-I116 HydrophobicContact CB-CB 4.17Å; L113-I116 HydrophobicContact CD1-CD1 4.36Å; L113-I116 PolarHBondContact O-N 3.13Å; S114-I116 PolarHBondContact O-N 3.03Å; S114-I116 VanDerWaalsContact O-N 3.12Å
117	S	81.4	Confident	73.3	Confident	105 Å²	105	68.8 Å²	68.8	73%	0.734	42%	0.419	S	S	*	.			trans	-81.5	143.6	171.2	-60.8	0	0	0	0	111	S119	S117-S119 PolarHBondContact O-N 3.02Å
118	P	83.6	Confident	75	Confident	39 Å²	39	65.4 Å²	65.4	25%	0.253	40%	0.401	S	S	.	.			trans	-60.7	131.7	173.6	-17.9	29	0	0	0	111.1	Y96 I98 I121	Y96-P118 HydrophobicContact CD1-CB 4.09Å; Y96-P118 HydrophobicContact CD1-CG 3.93Å; Y96-P118 HydrophobicContact CE1-CB 4.24Å; Y96-P118 HydrophobicContact CE1-CG 3.69Å; Y96-P118 CarbonylContact O-C 3.55Å; Y96-P118 VanDerWaalsContact O-CA 3.26Å; Y96-P118 WeakPolarHBondContact O-CA 3.47Å; I98-P118 HydrophobicContact CD1-CB 3.91Å; I98-P118 HydrophobicContact CD1-CG 3.39Å; I98-P118 HydrophobicContact CG1-CB 4.06Å; I98-P118 HydrophobicContact CG1-CG 4.06Å; P118-I121 HydrophobicContact CB-CG1 4.18Å
119	S	85.3	Confident	76.9	Confident	84 Å²	84	66.3 Å²	66.3	59%	0.587	39%	0.387	S	S	*	.	S	Bend	trans	-73.8	-30	172.5	64.4	0	0	0	0	112.1	Y96 S97 S117	Y96-S119 PolarHBondContact O-N 2.86Å; Y96-S119 PolarHBondContact O-OG 2.89Å; S97-S119 PolarHBondContact OG-OG 2.92Å; S117-S119 PolarHBondContact O-N 3.02Å
120	E	86.8	Confident	78.7	Confident	114 Å²	114	64.2 Å²	64.2	53%	0.533	37%	0.369	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-149.4	145.4	-177.8	-171.2	179.4	173.6	0	0	110.8	I98	I98-E120 PolarHBondContact N-O 3.25Å
121	I	85.1	Confident	80.3	Confident	64 Å²	64	64.5 Å²	64.5	33%	0.328	37%	0.37	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.2	109	171.8	-54.9	178.8	0	0	0	109.4	I98 Q100 P118	I98-I121 HydrophobicContact CB-CG1 4.41Å; I98-I121 CarbonylContact O-C 3.55Å; I98-I121 VanDerWaalsContact O-CA 3.29Å; I98-I121 WeakPolarHBondContact O-CA 3.21Å; Q100-I121 HydrophobicContact CG-CG2 3.93Å; P118-I121 HydrophobicContact CB-CG1 4.18Å
122	T	86.5	Confident	81.8	Confident	38 Å²	38	65.6 Å²	65.6	23%	0.233	37%	0.371	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.2	135.2	174.7	-45.5	0	0	0	0	110	I98 F99 Q100 Y124	I98-T122 PolarHBondContact O-N 3.37Å; F99-T122 CarbonylContact C-O 3.59Å; F99-T122 WeakPolarHBondContact CA-O 3.23Å; F99-T122 HydrophobicContact CD1-CG2 4.27Å; Q100-T122 PolarHBondContact N-O 2.91Å; T122-Y124 HydrophobicContact CG2-CE2 3.95Å
123	K	83.5	Confident	82.8	Confident	111 Å²	111	65.6 Å²	65.6	48%	0.483	37%	0.371	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.2	128	179.6	-62	-175.6	-177.6	-177.3	0	111.5	Q100	Q100-K123 HydrophobicContact CB-CG 4.44Å; Q100-K123 VanDerWaalsContact OE1-CE 3.27Å
124	Y	77	Confident	83.6	Confident	103 Å²	103	67.4 Å²	67.4	40%	0.404	38%	0.381	S	S	.	.			trans	-100.5	125.9	170.8	-64.1	-97.3	0	0	0	108.4	F99 Q100 L101 F102 T122	F99-Y124 HydrophobicContact CB-CE2 3.94Å; F99-Y124 AromaticContact CD1-CE2 3.9Å; F99-Y124 HydrophobicContact CD1-CE2 3.9Å; F99-Y124 HydrophobicContact CG-CE2 4.41Å; Q100-Y124 WeakPolarHBondContact O-CD2 3.39Å; Q100-Y124 PolarHBondContact O-N 3Å; L101-Y124 CarbonylContact C-O 3.56Å; L101-Y124 VanDerWaalsContact C-O 3.22Å; F102-Y124 WeakPolarHBondContact CA-O 3.44Å; T122-Y124 HydrophobicContact CG2-CE2 3.95Å
125	K	75.3	Confident	84	Confident	160 Å²	160	68.2 Å²	68.2	70%	0.696	38%	0.375	S	S	*	.			trans	-90.1	-21.8	-178.9	-71.3	-176.9	178.3	178.6	0	113.3	F127 N128	K125-F127 VanDerWaalsContact C-N 3.3Å; K125-F127 PolarHBondContact O-N 2.93Å; K125-N128 VanDerWaalsContact O-CB 3.29Å; K125-N128 WeakPolarHBondContact O-CB 3.49Å; K125-N128 PolarHBondContact O-N 3.22Å; K125-N128 VanDerWaalsContact O-N 3.07Å
126	D	74.2	Confident	84.2	Confident	81 Å²	81	67.7 Å²	67.7	43%	0.433	35%	0.354	S	S	.	.	G	3₁₀ helix	trans	-56.9	-38.9	-172.1	-171.4	5.4	0	0	0	112.7	N128 E129	D126-N128 VanDerWaalsContact C-N 3.27Å; D126-N128 PolarHBondContact O-N 3.36Å; D126-E129 PolarHBondContact O-N 3.2Å
127	F	84.1	Confident	83.6	Confident	27 Å²	27	69.6 Å²	69.6	12%	0.118	37%	0.37	C	S	.	.	G	3₁₀ helix	trans	-75.7	-8.9	-178.4	-55	-93.4	0	0	0	114.4	C39 L101 K125 E129 L130 F131	C39-F127 HydrophobicContact CB-CB 4.37Å; C39-F127 HydrophobicContact CB-CD1 4.32Å; L101-F127 HydrophobicContact CB-CB 4.49Å; L101-F127 HydrophobicContact CB-CD2 3.87Å; L101-F127 HydrophobicContact CB-CE2 4.39Å; L101-F127 HydrophobicContact CB-CG 4.23Å; L101-F127 HydrophobicContact CD2-CD2 4.29Å; L101-F127 HydrophobicContact CD2-CE2 3.97Å; L101-F127 VanDerWaalsContact O-CB 3.27Å; L101-F127 WeakPolarHBondContact O-CB 3.35Å; L101-F127 VanDerWaalsContact O-CD2 3.3Å; L101-F127 WeakPolarHBondContact O-CD2 3.32Å; K125-F127 VanDerWaalsContact C-N 3.3Å; K125-F127 PolarHBondContact O-N 2.93Å; F127-E129 PolarHBondContact O-N 3.37Å; F127-L130 HydrophobicContact CB-CD1 4.36Å; F127-L130 HydrophobicContact CD1-CD1 3.8Å; F127-L130 WeakPolarHBondContact O-CB 3.36Å; F127-L130 PolarHBondContact O-N 2.94Å; F127-F131 VanDerWaalsContact O-CD2 3.27Å; F127-F131 WeakPolarHBondContact O-CD2 3.44Å
128	N	83.3	Confident	82.6	Confident	39 Å²	39	70.4 Å²	70.4	21%	0.209	36%	0.357	C	S	.	.	G	3₁₀ helix	trans	-60.7	-35.1	174.2	-74.2	-24.7	0	0	0	111.7	F102 S103 K125 D126 L130 F131 S132	F102-N128 WeakPolarHBondContact CA-OD1 3.26Å; F102-N128 WeakPolarHBondContact CB-OD1 3.37Å; S103-N128 PolarHBondContact N-OD1 3.33Å; S103-N128 PolarHBondContact OG-ND2 2.89Å; K125-N128 VanDerWaalsContact O-CB 3.29Å; K125-N128 WeakPolarHBondContact O-CB 3.49Å; K125-N128 PolarHBondContact O-N 3.22Å; K125-N128 VanDerWaalsContact O-N 3.07Å; D126-N128 VanDerWaalsContact C-N 3.27Å; D126-N128 PolarHBondContact O-N 3.36Å; N128-L130 PolarHBondContact O-N 2.88Å; N128-F131 PolarHBondContact O-N 3.24Å; N128-F131 VanDerWaalsContact O-N 3.1Å; N128-S132 PolarHBondContact O-OG 3.21Å
129	E	85.4	Confident	80.7	Confident	126 Å²	126	76.8 Å²	76.8	59%	0.589	39%	0.389	S	S	*	.	G	3₁₀ helix	trans	-66.9	-27.1	-176.4	-63.6	-173.2	176	0	0	112.2	D126 F127 F131 S132	D126-E129 PolarHBondContact O-N 3.2Å; F127-E129 PolarHBondContact O-N 3.37Å; E129-F131 PolarHBondContact O-N 2.53Å; E129-F131 VanDerWaalsContact O-N 3.15Å; E129-S132 PolarHBondContact O-N 2.98Å
130	L	90.6	Very high	78.9	Confident	0 Å²	0	74.7 Å²	74.7	0%	0	38%	0.381	C	S	.	.	G	3₁₀ helix	trans	-62.5	-21.3	175	-65.3	177.4	0	0	0	112.8	F40 F127 N128 E405 V408 R409 N412	F40-L130 HydrophobicContact CE2-CD1 4.16Å; F40-L130 HydrophobicContact CZ-CB 4.15Å; F40-L130 HydrophobicContact CZ-CD1 4.15Å; F127-L130 HydrophobicContact CB-CD1 4.36Å; F127-L130 HydrophobicContact CD1-CD1 3.8Å; F127-L130 WeakPolarHBondContact O-CB 3.36Å; F127-L130 PolarHBondContact O-N 2.94Å; N128-L130 PolarHBondContact O-N 2.88Å; L130-E405 HydrophobicContact CD1-CB 4.33Å; L130-E405 HydrophobicContact CD1-CG 4.02Å; L130-E405 HydrophobicContact CD2-CB 4.34Å; L130-E405 WeakPolarHBondContact CD2-O 3.11Å; L130-V408 HydrophobicContact CB-CG1 4.4Å; L130-V408 WeakPolarHBondContact O-CG1 3.32Å; L130-R409 HydrophobicContact CD2-CB 3.97Å; L130-N412 PolarHBondContact O-ND2 3.43Å
131	F	90.9	Very high	76.6	Confident	14 Å²	14	74.1 Å²	74.1	6%	0.061	39%	0.39	C	S	.	.	G	3₁₀ helix	trans	-106.2	-0	-177.9	-59.7	-86.2	0	0	0	113.5	C39 F40 F102 F127 N128 E129 E373 L376 F377	C39-F131 HydrophobicContact CB-CE2 4.09Å; C39-F131 HydrophobicContact CB-CZ 4.11Å; C39-F131 VanDerWaalsContact O-CZ 3.3Å; C39-F131 WeakPolarHBondContact O-CZ 3.47Å; F40-F131 AromaticContact CD1-CE1 3.76Å; F40-F131 HydrophobicContact CD1-CE1 3.76Å; F40-F131 AromaticContact CD1-CZ 3.81Å; F40-F131 HydrophobicContact CD1-CZ 3.81Å; F40-F131 AromaticContact CE1-CE1 3.7Å; F40-F131 HydrophobicContact CE1-CE1 3.7Å; F40-F131 AromaticContact CE1-CZ 3.74Å; F40-F131 HydrophobicContact CE1-CZ 3.74Å; F40-F131 HydrophobicContact CG-CZ 4.48Å; F40-F131 HydrophobicContact CZ-CZ 4.36Å; F102-F131 HydrophobicContact CD1-CE2 4.42Å; F127-F131 VanDerWaalsContact O-CD2 3.27Å; F127-F131 WeakPolarHBondContact O-CD2 3.44Å; N128-F131 PolarHBondContact O-N 3.24Å; N128-F131 VanDerWaalsContact O-N 3.1Å; E129-F131 PolarHBondContact O-N 2.53Å; E129-F131 VanDerWaalsContact O-N 3.15Å; F131-E373 VanDerWaalsContact O-CG 3.27Å; F131-E373 WeakPolarHBondContact O-CG 3.47Å; F131-L376 HydrophobicContact CD1-CB 4.11Å; F131-L376 HydrophobicContact CD1-CD2 4.05Å; F131-L376 HydrophobicContact CD1-CG 3.69Å; F131-L376 HydrophobicContact CE1-CG 3.97Å; F131-L376 WeakPolarHBondContact CE1-O 3.33Å; F131-F377 HydrophobicContact CD1-CB 4.28Å; F131-F377 HydrophobicContact CD1-CD2 4.48Å; F131-F377 HydrophobicContact CG-CD2 4.48Å
132	S	91.1	Very high	74.7	Confident	66 Å²	66	80.2 Å²	80.2	46%	0.462	41%	0.414	S	S	.	.			trans	-96.2	118.8	-177.1	-58.5	0	0	0	0	110	N128 E129 N412	N128-S132 PolarHBondContact O-OG 3.21Å; E129-S132 PolarHBondContact O-N 2.98Å; S132-N412 WeakPolarHBondContact O-CB 3.37Å
133	V	92.9	Very high	72.6	Confident	9 Å²	9	87.5 Å²	87.5	6%	0.055	45%	0.445	C	S	.	.			trans	-91.2	135.9	-176.7	176.1	0	0	0	0	109.9	K135 A369 L372 E373 L416	V133-K135 VanDerWaalsContact O-CG 3.24Å; V133-K135 WeakPolarHBondContact O-CG 3.34Å; V133-K135 PolarHBondContact O-N 2.69Å; V133-A369 HydrophobicContact CB-CB 4.48Å; V133-A369 HydrophobicContact CG1-CB 4.46Å; V133-L372 HydrophobicContact CG2-CB 4.39Å; V133-E373 HydrophobicContact CB-CG 4.06Å; V133-E373 HydrophobicContact CG2-CG 3.76Å; V133-E373 PolarHBondContact N-OE1 3.39Å; V133-L416 HydrophobicContact CG1-CD1 4.18Å; V133-L416 HydrophobicContact CG1-CD2 4.38Å
134	N	91.5	Very high	70.7	Confident	49 Å²	49	84.6 Å²	84.6	26%	0.262	45%	0.447	S	S	.	.			trans	-65	109.5	173	-173.7	-11	0	0	0	111.6	T136 N412 S413 L416	N134-T136 WeakPolarHBondContact OD1-CB 3.4Å; N134-T136 WeakPolarHBondContact OD1-CG2 3.23Å; N134-T136 PolarHBondContact OD1-N 3.46Å; N134-T136 PolarHBondContact OD1-OG1 3.42Å; N134-N412 WeakPolarHBondContact CB-O 3.4Å; N134-N412 PolarHBondContact N-O 2.77Å; N134-S413 PolarHBondContact ND2-O 2.87Å; N134-L416 PolarHBondContact O-N 3.21Å
135	K	85.7	Confident	69.4	Low	85 Å²	85	84.3 Å²	84.3	37%	0.37	45%	0.449	S	S	.	.			trans	-84.7	-3.9	-175.4	-49.1	-171.9	180	178.7	0	113.5	V133 S137 A369 E373	V133-K135 VanDerWaalsContact O-CG 3.24Å; V133-K135 WeakPolarHBondContact O-CG 3.34Å; V133-K135 PolarHBondContact O-N 2.69Å; K135-S137 PolarHBondContact O-N 2.98Å; K135-A369 HydrophobicContact CD-CB 4.04Å; K135-A369 HydrophobicContact CG-CB 3.83Å; K135-E373 WeakPolarHBondContact CE-OE1 3.37Å; K135-E373 WeakPolarHBondContact CE-OE2 3.48Å; K135-E373 IonicContact NZ-OE1 3.4Å; K135-E373 PolarHBondContact NZ-OE1 3.11Å; K135-E373 IonicContact NZ-OE2 2.95Å; K135-E373 PolarHBondContact NZ-OE2 2.82Å
136	T	77.4	Confident	68.2	Low	80 Å²	80	81.8 Å²	81.8	49%	0.491	45%	0.452	S	S	.	.	P	Polyproline II helix	trans	-61.6	124.7	180	59	0	0	0	0	109.9	N134 P415	N134-T136 WeakPolarHBondContact OD1-CB 3.4Å; N134-T136 WeakPolarHBondContact OD1-CG2 3.23Å; N134-T136 PolarHBondContact OD1-N 3.46Å; N134-T136 PolarHBondContact OD1-OG1 3.42Å; T136-P415 WeakPolarHBondContact O-CB 3.37Å
137	S	63.6	Low	67.1	Low	68 Å²	68	88.9 Å²	88.9	48%	0.476	47%	0.472	S	S	.	.	P	Polyproline II helix	trans	-80.8	138.4	167.7	-174.5	0	0	0	0	108.7	K135 N139	K135-S137 PolarHBondContact O-N 2.98Å; S137-N139 PolarHBondContact O-N 3.41Å
138	R	61.6	Low	66	Low	121 Å²	121	90.5 Å²	90.5	46%	0.457	48%	0.481	S	S	.	.	P	Polyproline II helix	trans	-62	121.6	165.9	-166.5	171.4	172	174.9	-8	107	G140 E161 N162	R138-G140 PolarHBondContact O-N 3.24Å; R138-E161 IonicContact NH2-OE2 3.78Å; R138-E161 PolarHBondContact NH2-OE2 3.44Å; R138-N162 PolarHBondContact NH1-OD1 3.46Å
139	N	43.7	Very low	65.3	Low	173 Å²	173	100.1 Å²	100.1	93%	0.925	51%	0.514	S	S	*	.			trans	-72	77.1	162.8	-76.7	-17.9	0	0	0	106.6	S137	S137-N139 PolarHBondContact O-N 3.41Å
140	G	46.2	Very low	65.5	Low	41 Å²	41	97.9 Å²	97.9	42%	0.423	51%	0.506	S	S	.	.			trans	-122	107.2	-172.1	0	0	0	0	0	111.4	R138 K142	R138-G140 PolarHBondContact O-N 3.24Å; G140-K142 PolarHBondContact O-N 3.5Å
141	S	39	Very low	65.5	Low	102 Å²	102	99.4 Å²	99.4	71%	0.713	52%	0.519	S	S	*	.			trans	-4.7	95.8	164.6	54	0	0	0	0	117.6	E143	S141-E143 PolarHBondContact O-N 3.27Å; S141-E143 VanDerWaalsContact O-N 3.1Å
142	K	46	Very low	65.7	Low	192 Å²	192	104 Å²	104	84%	0.835	54%	0.539	S	S	*	.	T	Hydrogen-bonded Turn	trans	-66.9	-0.3	168.6	-77.3	-173.7	173.8	-178.5	0	114.7	G140	G140-K142 PolarHBondContact O-N 3.5Å
143	E	40.7	Very low	65.8	Low	190 Å²	190	104.3 Å²	104.3	89%	0.888	54%	0.536	S	S	*	.	T	Hydrogen-bonded Turn	trans	-91	-6.7	-169.6	-69	-173.2	156.4	0	0	114.7	S141	S141-E143 PolarHBondContact O-N 3.27Å; S141-E143 VanDerWaalsContact O-N 3.1Å
144	G	45.4	Very low	65.9	Low	50 Å²	50	105.2 Å²	105.2	52%	0.515	54%	0.54	S	S	.	.	S	Bend	trans	-104.4	-28.5	-179	0	0	0	0	0	116.5	S146	G144-S146 PolarHBondContact O-N 3.32Å
145	E	50	Low	66.1	Low	98 Å²	98	102.9 Å²	102.9	46%	0.458	53%	0.527	S	S	.	.	G	3₁₀ helix	trans	-77	-19.4	-166.1	-72.9	176.7	156.6	0	0	114.2	R147 M148	E145-R147 PolarHBondContact O-N 2.95Å; E145-M148 PolarHBondContact O-N 3.41Å
146	S	48.4	Very low	66.6	Low	107 Å²	107	103.7 Å²	103.7	75%	0.748	53%	0.531	S	S	*	.	G	3₁₀ helix	trans	-66.2	-13.5	-177.3	80.4	0	0	0	0	114.5	G144	G144-S146 PolarHBondContact O-N 3.32Å
147	R	51.2	Low	67.4	Low	230 Å²	230	103.5 Å²	103.5	87%	0.868	52%	0.524	S	S	*	.	G	3₁₀ helix	trans	-88.8	-21.5	177.6	-76.1	-174.7	176	178.9	0.3	114.1	E145 R149	E145-R147 PolarHBondContact O-N 2.95Å; R147-R149 PolarHBondContact O-N 3Å
148	M	61.3	Low	69	Low	60 Å²	60	101.3 Å²	101.3	30%	0.296	51%	0.506	S	S	.	.			trans	-94.4	103.8	-174.3	-66.9	175.9	75.5	0	0	110.2	E145 D153 L154 H157	E145-M148 PolarHBondContact O-N 3.41Å; M148-D153 HydrophobicContact CE-CB 3.49Å; M148-D153 VanDerWaalsContact CE-CB 3.49Å; M148-D153 WeakPolarHBondContact CE-O 3.17Å; M148-L154 HydrophobicContact CB-CD2 3.69Å; M148-L154 HydrophobicContact CB-CG 4.19Å; M148-H157 HydrophobicContact CE-CB 3.84Å; M148-H157 HydrophobicContact SD-CB 4.39Å
149	R	68.2	Low	70.7	Confident	241 Å²	241	96.3 Å²	96.3	91%	0.909	49%	0.489	S	S	*	.			trans	-92.9	-21.4	-179.6	-64	-172.6	-169.4	-178	4	114	R147	R147-R149 PolarHBondContact O-N 3Å
150	D	89.7	Confident	73.2	Confident	79 Å²	79	95.9 Å²	95.9	42%	0.422	48%	0.478	S	S	.	.			trans	-88.2	130.5	-178.5	-170.7	3.7	0	0	0	111.5	K152 D153 L154	D150-K152 PolarHBondContact O-N 3.02Å; D150-K152 PolarHBondContact OD1-N 3.36Å; D150-K152 VanDerWaalsContact OD1-N 3.16Å; D150-D153 HydrophobicContact CB-CB 4.47Å; D150-D153 PolarHBondContact O-N 2.86Å; D150-D153 VanDerWaalsContact O-N 3.13Å; D150-L154 WeakPolarHBondContact O-CG 3.31Å; D150-L154 PolarHBondContact O-N 3.33Å; D150-L154 VanDerWaalsContact O-N 3.08Å
151	A	91.8	Very high	75.6	Confident	33 Å²	33	98.1 Å²	98.1	27%	0.273	48%	0.478	S	S	.	.	H	α-helix	trans	-58.2	-32.2	175.6	0	0	0	0	0	112.5	I155 L428 F448	A151-I155 WeakPolarHBondContact O-CG2 3.35Å; A151-I155 PolarHBondContact O-N 3.11Å; A151-L428 HydrophobicContact CB-CD2 4.03Å; A151-F448 HydrophobicContact CB-CD1 4.25Å; A151-F448 HydrophobicContact CB-CE1 3.76Å; A151-F448 HydrophobicContact CB-CZ 4.31Å
152	K	94.4	Very high	78.3	Confident	110 Å²	110	93.6 Å²	93.6	48%	0.478	45%	0.446	S	S	.	.	H	α-helix	trans	-66.9	-39.3	176	-69.8	-173.3	175.9	-177.1	0	112.6	D150 I155 K156 W439 F448	D150-K152 PolarHBondContact O-N 3.02Å; D150-K152 PolarHBondContact OD1-N 3.36Å; D150-K152 VanDerWaalsContact OD1-N 3.16Å; K152-I155 VanDerWaalsContact O-CG2 3.32Å; K152-I155 WeakPolarHBondContact O-CG2 3.48Å; K152-K156 WeakPolarHBondContact O-CB 3.45Å; K152-K156 WeakPolarHBondContact O-CD 3.25Å; K152-K156 WeakPolarHBondContact O-CG 3.44Å; K152-K156 PolarHBondContact O-N 2.68Å; K152-K156 VanDerWaalsContact O-N 3.14Å; K152-W439 HydrophobicContact CB-CH2 4.03Å; K152-W439 HydrophobicContact CB-CZ3 4.34Å; K152-W439 HydrophobicContact CD-CH2 4.34Å; K152-W439 HydrophobicContact CG-CH2 4.01Å; K152-W439 HydrophobicContact CG-CZ3 4.09Å; K152-F448 HydrophobicContact CG-CE2 4.11Å; K152-F448 HydrophobicContact CG-CZ 4.14Å
153	D	94	Very high	80.8	Confident	72 Å²	72	89.8 Å²	89.8	39%	0.385	43%	0.429	S	S	.	.	H	α-helix	trans	-73.3	-40.9	179.5	-66.5	-28.8	0	0	0	110.2	M148 D150 I155 K156 H157	M148-D153 HydrophobicContact CE-CB 3.49Å; M148-D153 VanDerWaalsContact CE-CB 3.49Å; M148-D153 WeakPolarHBondContact CE-O 3.17Å; D150-D153 HydrophobicContact CB-CB 4.47Å; D150-D153 PolarHBondContact O-N 2.86Å; D150-D153 VanDerWaalsContact O-N 3.13Å; D153-I155 PolarHBondContact O-N 3.28Å; D153-K156 PolarHBondContact O-N 3.29Å; D153-H157 WeakPolarHBondContact O-CB 3.14Å; D153-H157 PolarHBondContact O-N 2.7Å
154	L	93.9	Very high	83.5	Confident	28 Å²	28	85.5 Å²	85.5	15%	0.147	41%	0.409	C	S	.	.	H	α-helix	trans	-57.6	-48.1	175.4	-71.4	171.8	0	0	0	111.9	M148 D150 H157 F158 L424 L428	M148-L154 HydrophobicContact CB-CD2 3.69Å; M148-L154 HydrophobicContact CB-CG 4.19Å; D150-L154 WeakPolarHBondContact O-CG 3.31Å; D150-L154 PolarHBondContact O-N 3.33Å; D150-L154 VanDerWaalsContact O-N 3.08Å; L154-H157 PolarHBondContact O-N 3.1Å; L154-F158 WeakPolarHBondContact O-CB 3.34Å; L154-F158 PolarHBondContact O-N 3.43Å; L154-L424 HydrophobicContact CD1-CD2 4.29Å; L154-L428 HydrophobicContact CB-CD2 4.1Å; L154-L428 HydrophobicContact CD1-CD2 3.73Å
155	I	95.4	Very high	85.9	Confident	0 Å²	0	86.3 Å²	86.3	0%	0	40%	0.399	C	S	.	.	H	α-helix	trans	-68.2	-36.3	179.5	-160.2	172.5	0	0	0	112.2	A151 K152 D153 F158 I159 L428 R435 A436 W439 F448	A151-I155 WeakPolarHBondContact O-CG2 3.35Å; A151-I155 PolarHBondContact O-N 3.11Å; K152-I155 VanDerWaalsContact O-CG2 3.32Å; K152-I155 WeakPolarHBondContact O-CG2 3.48Å; D153-I155 PolarHBondContact O-N 3.28Å; I155-F158 PolarHBondContact O-N 3.4Å; I155-I159 HydrophobicContact CG1-CD1 4.22Å; I155-I159 WeakPolarHBondContact O-CB 3.47Å; I155-I159 WeakPolarHBondContact O-CD1 3.31Å; I155-I159 WeakPolarHBondContact O-CG1 3.34Å; I155-I159 PolarHBondContact O-N 2.8Å; I155-L428 HydrophobicContact CB-CD1 4.21Å; I155-R435 HydrophobicContact CD1-CB 3.86Å; I155-A436 HydrophobicContact CG1-CB 4.33Å; I155-W439 HydrophobicContact CD1-CB 4.42Å; I155-W439 HydrophobicContact CD1-CE3 4.23Å; I155-W439 HydrophobicContact CG2-CD2 4Å; I155-W439 HydrophobicContact CG2-CE3 3.4Å; I155-W439 HydrophobicContact CG2-CH2 4.21Å; I155-W439 HydrophobicContact CG2-CZ3 3.5Å; I155-F448 HydrophobicContact CB-CZ 4.48Å; I155-F448 HydrophobicContact CD1-CE1 4.36Å; I155-F448 HydrophobicContact CD1-CZ 4.44Å; I155-F448 HydrophobicContact CG2-CE1 4.31Å; I155-F448 HydrophobicContact CG2-CZ 3.8Å
156	K	96.1	Very high	88.2	Confident	103 Å²	103	81.6 Å²	81.6	45%	0.448	38%	0.378	S	S	.	.	H	α-helix	trans	-63.4	-42.9	174.6	-76.3	171.4	-176.8	175	0	111.8	K152 D153 I159 K160 W439	K152-K156 WeakPolarHBondContact O-CB 3.45Å; K152-K156 WeakPolarHBondContact O-CD 3.25Å; K152-K156 WeakPolarHBondContact O-CG 3.44Å; K152-K156 PolarHBondContact O-N 2.68Å; K152-K156 VanDerWaalsContact O-N 3.14Å; D153-K156 PolarHBondContact O-N 3.29Å; K156-I159 PolarHBondContact O-N 2.83Å; K156-K160 PolarHBondContact O-N 3.42Å; K156-W439 HydrophobicContact CD-CZ2 4.21Å; K156-W439 VanDerWaalsContact CE-CZ2 3.41Å; K156-W439 HydrophobicContact CG-CH2 4.35Å; K156-W439 HydrophobicContact CG-CZ2 3.8Å
157	H	95.5	Very high	90.6	Very high	75 Å²	75	80.2 Å²	80.2	35%	0.347	36%	0.359	S	S	.	.	H	α-helix	trans	-64.2	-46.4	175.3	178.7	62	0	0	0	111	M148 D153 L154 I159 K160 E161	M148-H157 HydrophobicContact CE-CB 3.84Å; M148-H157 HydrophobicContact SD-CB 4.39Å; D153-H157 WeakPolarHBondContact O-CB 3.14Å; D153-H157 PolarHBondContact O-N 2.7Å; L154-H157 PolarHBondContact O-N 3.1Å; H157-I159 VanDerWaalsContact C-N 3.3Å; H157-I159 PolarHBondContact O-N 3.12Å; H157-K160 WeakPolarHBondContact O-CB 3.39Å; H157-K160 PolarHBondContact O-N 2.96Å; H157-K160 VanDerWaalsContact O-N 3.1Å; H157-E161 IonicContact CE1-OE1 2.87Å; H157-E161 WeakPolarHBondContact O-CG 3.41Å; H157-E161 PolarHBondContact O-N 3.11Å
158	F	96.2	Very high	92.8	Very high	23 Å²	23	73.6 Å²	73.6	10%	0.101	34%	0.337	C	S	.	.	H	α-helix	trans	-56.1	-43.8	174.3	177.4	-90.1	0	0	0	112.3	L154 I155 K160 E161 N162 I166 V418 L432 I433 A436	L154-F158 WeakPolarHBondContact O-CB 3.34Å; L154-F158 PolarHBondContact O-N 3.43Å; I155-F158 PolarHBondContact O-N 3.4Å; F158-K160 PolarHBondContact O-N 3.29Å; F158-E161 PolarHBondContact O-N 3.5Å; F158-N162 WeakPolarHBondContact CD2-ND2 3.25Å; F158-N162 HydrophobicContact CE1-CB 4.39Å; F158-N162 WeakPolarHBondContact CE2-ND2 3.4Å; F158-N162 HydrophobicContact CZ-CB 4.17Å; F158-N162 PolarHBondContact O-N 2.8Å; F158-N162 PolarHBondContact O-ND2 2.92Å; F158-I166 HydrophobicContact CD1-CD1 4.29Å; F158-I166 HydrophobicContact CE1-CD1 3.98Å; F158-I166 HydrophobicContact CE1-CG1 4.35Å; F158-V418 HydrophobicContact CZ-CG1 4.21Å; F158-V418 WeakPolarHBondContact CZ-O 3.44Å; F158-L432 HydrophobicContact CD1-CD1 4.38Å; F158-L432 HydrophobicContact CD1-CG 4.08Å; F158-L432 HydrophobicContact CD2-CD2 3.49Å; F158-L432 VanDerWaalsContact CD2-CD2 3.49Å; F158-L432 HydrophobicContact CD2-CG 3.97Å; F158-L432 HydrophobicContact CE1-CG 4.04Å; F158-L432 HydrophobicContact CE2-CD2 3.52Å; F158-L432 HydrophobicContact CE2-CG 3.92Å; F158-L432 HydrophobicContact CG-CD1 4.31Å; F158-L432 HydrophobicContact CG-CD2 4.03Å; F158-L432 HydrophobicContact CG-CG 4.06Å; F158-L432 HydrophobicContact CZ-CD2 4.1Å; F158-L432 HydrophobicContact CZ-CG 3.97Å; F158-I433 HydrophobicContact CZ-CB 4.49Å; F158-A436 HydrophobicContact CD1-CB 3.72Å; F158-A436 HydrophobicContact CE1-CB 3.73Å
159	I	97.1	Very high	94.6	Very high	16 Å²	16	70.8 Å²	70.8	8%	0.082	32%	0.323	C	S	.	.	H	α-helix	trans	-60.6	-44.6	175.8	-73.9	162.6	0	0	0	111.2	I155 K156 H157 E161 N162 K163 I166 A436 W439 L440	I155-I159 HydrophobicContact CG1-CD1 4.22Å; I155-I159 WeakPolarHBondContact O-CB 3.47Å; I155-I159 WeakPolarHBondContact O-CD1 3.31Å; I155-I159 WeakPolarHBondContact O-CG1 3.34Å; I155-I159 PolarHBondContact O-N 2.8Å; K156-I159 PolarHBondContact O-N 2.83Å; H157-I159 VanDerWaalsContact C-N 3.3Å; H157-I159 PolarHBondContact O-N 3.12Å; I159-E161 VanDerWaalsContact C-N 3.31Å; I159-E161 PolarHBondContact O-N 3Å; I159-N162 PolarHBondContact O-N 3.12Å; I159-K163 VanDerWaalsContact O-CA 3.26Å; I159-K163 WeakPolarHBondContact O-CA 3.34Å; I159-K163 WeakPolarHBondContact O-CB 3.39Å; I159-K163 PolarHBondContact O-N 3.39Å; I159-I166 HydrophobicContact CB-CD1 4.3Å; I159-I166 HydrophobicContact CG1-CD1 4.03Å; I159-A436 HydrophobicContact CD1-CB 4.33Å; I159-A436 HydrophobicContact CG1-CB 3.69Å; I159-W439 HydrophobicContact CD1-CB 3.71Å; I159-W439 VanDerWaalsContact CD1-CD1 3.41Å; I159-W439 HydrophobicContact CD1-CD2 4.23Å; I159-W439 HydrophobicContact CD1-CG 3.48Å; I159-W439 VanDerWaalsContact CD1-CG 3.48Å; I159-L440 HydrophobicContact CG2-CD1 4.24Å; I159-L440 HydrophobicContact CG2-CD2 3.49Å; I159-L440 VanDerWaalsContact CG2-CD2 3.49Å; I159-L440 HydrophobicContact CG2-CG 3.95Å
160	K	97	Very high	96	Very high	163 Å²	163	60.5 Å²	60.5	71%	0.709	29%	0.286	S	S	*	.	H	α-helix	trans	-60.6	-43	178.7	-174.8	-173.2	175.4	-170.8	0	111.4	K156 H157 F158	K156-K160 PolarHBondContact O-N 3.42Å; H157-K160 WeakPolarHBondContact O-CB 3.39Å; H157-K160 PolarHBondContact O-N 2.96Å; H157-K160 VanDerWaalsContact O-N 3.1Å; F158-K160 PolarHBondContact O-N 3.29Å
161	E	96.4	Very high	96.5	Very high	88 Å²	88	58 Å²	58	41%	0.411	28%	0.276	S	S	.	.	H	α-helix	trans	-76.4	-24.9	-176.3	-71.1	-65.6	129.5	0	0	114.2	R138 H157 F158 I159	R138-E161 IonicContact NH2-OE2 3.78Å; R138-E161 PolarHBondContact NH2-OE2 3.44Å; H157-E161 IonicContact CE1-OE1 2.87Å; H157-E161 WeakPolarHBondContact O-CG 3.41Å; H157-E161 PolarHBondContact O-N 3.11Å; F158-E161 PolarHBondContact O-N 3.5Å; I159-E161 VanDerWaalsContact C-N 3.31Å; I159-E161 PolarHBondContact O-N 3Å
162	N	96.7	Very high	96.8	Very high	7 Å²	7	59.7 Å²	59.7	4%	0.037	28%	0.278	C	S	.	.	T	Hydrogen-bonded Turn	trans	-128.6	28.5	-172.7	-51	-91.1	0	0	0	111.8	R138 F158 I159 E164 E165 I166 V418	R138-N162 PolarHBondContact NH1-OD1 3.46Å; F158-N162 WeakPolarHBondContact CD2-ND2 3.25Å; F158-N162 HydrophobicContact CE1-CB 4.39Å; F158-N162 WeakPolarHBondContact CE2-ND2 3.4Å; F158-N162 HydrophobicContact CZ-CB 4.17Å; F158-N162 PolarHBondContact O-N 2.8Å; F158-N162 PolarHBondContact O-ND2 2.92Å; I159-N162 PolarHBondContact O-N 3.12Å; N162-E164 VanDerWaalsContact C-N 3.32Å; N162-E164 PolarHBondContact O-N 3.45Å; N162-E165 WeakPolarHBondContact CA-OE2 3.49Å; N162-E165 PolarHBondContact O-N 2.84Å; N162-I166 HydrophobicContact CB-CD1 4.37Å; N162-I166 VanDerWaalsContact O-CD1 3.31Å; N162-I166 WeakPolarHBondContact O-CD1 3.47Å; N162-I166 WeakPolarHBondContact O-CG1 3.49Å; N162-I166 PolarHBondContact O-N 3Å; N162-V418 HydrophobicContact CB-CG1 4.23Å
163	K	97.1	Very high	97	Very high	113 Å²	113	54.5 Å²	54.5	49%	0.491	26%	0.255	S	S	.	.	H	α-helix	trans	-57.1	-44.9	-172.3	-176.3	176.8	171.3	-177	0	112.1	I159 I166 E167	I159-K163 VanDerWaalsContact O-CA 3.26Å; I159-K163 WeakPolarHBondContact O-CA 3.34Å; I159-K163 WeakPolarHBondContact O-CB 3.39Å; I159-K163 PolarHBondContact O-N 3.39Å; K163-I166 PolarHBondContact O-N 2.92Å; K163-E167 WeakPolarHBondContact CE-OE1 3.5Å; K163-E167 HydrophobicContact CG-CG 4.47Å; K163-E167 IonicContact NZ-OE1 2.69Å; K163-E167 WeakPolarHBondContact O-CG 3.37Å; K163-E167 PolarHBondContact O-N 3.32Å
164	E	97.1	Very high	97.2	Very high	99 Å²	99	55.6 Å²	55.6	46%	0.463	25%	0.254	S	S	.	.	H	α-helix	trans	-63.9	-43.6	-177.6	-170.4	-175	153.6	0	0	111.6	N162 I166 E167 K168	N162-E164 VanDerWaalsContact C-N 3.32Å; N162-E164 PolarHBondContact O-N 3.45Å; E164-I166 VanDerWaalsContact C-N 3.35Å; E164-I166 PolarHBondContact O-N 3.21Å; E164-E167 PolarHBondContact O-N 3.07Å; E164-K168 HydrophobicContact CG-CD 4.29Å; E164-K168 WeakPolarHBondContact O-CB 3.25Å; E164-K168 WeakPolarHBondContact O-CG 3.48Å; E164-K168 PolarHBondContact O-N 3.2Å; E164-K168 WeakPolarHBondContact OE1-CE 3.47Å; E164-K168 IonicContact OE1-NZ 3.8Å; E164-K168 PolarHBondContact OE1-NZ 3.14Å
165	E	96.8	Very high	97.4	Very high	67 Å²	67	59.8 Å²	59.8	31%	0.313	27%	0.268	S	S	.	.	H	α-helix	trans	-64	-39.6	176	-68.3	77.5	-173.2	0	0	111.9	N162 L169 Y410 V418 I433	N162-E165 WeakPolarHBondContact CA-OE2 3.49Å; N162-E165 PolarHBondContact O-N 2.84Å; E165-L169 VanDerWaalsContact O-CB 3.29Å; E165-L169 WeakPolarHBondContact O-CB 3.49Å; E165-L169 PolarHBondContact O-N 2.91Å; E165-Y410 PolarHBondContact O-OH 3.34Å; E165-V418 HydrophobicContact CB-CG1 4.38Å; E165-V418 HydrophobicContact CG-CG1 4.5Å; E165-I433 HydrophobicContact CB-CD1 4.49Å
166	I	98.2	Very high	97.5	Very high	0 Å²	0	59.8 Å²	59.8	0%	0	27%	0.268	C	S	.	.	H	α-helix	trans	-67.7	-42	178.1	-59.6	156.5	0	0	0	110.7	F158 I159 N162 K163 E164 L169 I170 I433 A436 A437 L440	F158-I166 HydrophobicContact CD1-CD1 4.29Å; F158-I166 HydrophobicContact CE1-CD1 3.98Å; F158-I166 HydrophobicContact CE1-CG1 4.35Å; I159-I166 HydrophobicContact CB-CD1 4.3Å; I159-I166 HydrophobicContact CG1-CD1 4.03Å; N162-I166 HydrophobicContact CB-CD1 4.37Å; N162-I166 VanDerWaalsContact O-CD1 3.31Å; N162-I166 WeakPolarHBondContact O-CD1 3.47Å; N162-I166 WeakPolarHBondContact O-CG1 3.49Å; N162-I166 PolarHBondContact O-N 3Å; K163-I166 PolarHBondContact O-N 2.92Å; E164-I166 VanDerWaalsContact C-N 3.35Å; E164-I166 PolarHBondContact O-N 3.21Å; I166-L169 WeakPolarHBondContact O-CB 3.19Å; I166-L169 PolarHBondContact O-N 3.43Å; I166-I170 HydrophobicContact CG2-CD1 4.19Å; I166-I170 WeakPolarHBondContact O-CG1 3.46Å; I166-I170 PolarHBondContact O-N 3.45Å; I166-I433 HydrophobicContact CG1-CG1 3.87Å; I166-A436 HydrophobicContact CD1-CB 3.7Å; I166-A436 HydrophobicContact CG1-CB 4.17Å; I166-A437 HydrophobicContact CG2-CB 3.89Å; I166-L440 HydrophobicContact CB-CD1 4.04Å; I166-L440 HydrophobicContact CG2-CD1 3.54Å; I166-L440 HydrophobicContact CG2-CG 4.4Å
167	E	98.2	Very high	97.6	Very high	77 Å²	77	54.9 Å²	54.9	36%	0.36	25%	0.246	S	C	.	.	H	α-helix	trans	-65	-42.7	176.5	-74	177.1	167.9	0	0	111.8	K163 E164 I170 A171	K163-E167 WeakPolarHBondContact CE-OE1 3.5Å; K163-E167 HydrophobicContact CG-CG 4.47Å; K163-E167 IonicContact NZ-OE1 2.69Å; K163-E167 WeakPolarHBondContact O-CG 3.37Å; K163-E167 PolarHBondContact O-N 3.32Å; E164-E167 PolarHBondContact O-N 3.07Å; E167-I170 PolarHBondContact O-N 3.06Å; E167-A171 WeakPolarHBondContact O-CB 3.47Å; E167-A171 PolarHBondContact O-N 3.47Å
168	K	98.2	Very high	97.6	Very high	91 Å²	91	53 Å²	53	40%	0.396	24%	0.24	S	C	.	.	H	α-helix	trans	-60.8	-45.9	173.1	-79.5	173.1	172.3	168.2	0	111.4	E164 I170 A171 F172 Y410	E164-K168 HydrophobicContact CG-CD 4.29Å; E164-K168 WeakPolarHBondContact O-CB 3.25Å; E164-K168 WeakPolarHBondContact O-CG 3.48Å; E164-K168 PolarHBondContact O-N 3.2Å; E164-K168 WeakPolarHBondContact OE1-CE 3.47Å; E164-K168 IonicContact OE1-NZ 3.8Å; E164-K168 PolarHBondContact OE1-NZ 3.14Å; K168-I170 PolarHBondContact O-N 3.37Å; K168-A171 PolarHBondContact O-N 2.87Å; K168-A171 VanDerWaalsContact O-N 3.16Å; K168-F172 VanDerWaalsContact O-CD2 3.27Å; K168-F172 WeakPolarHBondContact O-CD2 3.47Å; K168-F172 PolarHBondContact O-N 3.16Å; K168-Y410 HydrophobicContact CB-CE1 4.2Å; K168-Y410 HydrophobicContact CB-CE2 4.05Å; K168-Y410 WeakPolarHBondContact CB-OH 3.39Å; K168-Y410 HydrophobicContact CD-CE2 4.34Å
169	L	98.5	Very high	97.6	Very high	1 Å²	1	52.7 Å²	52.7	1%	0.005	24%	0.241	C	C	.	.	H	α-helix	trans	-54.9	-49.2	174.8	176.1	82.7	0	0	0	111.8	E165 I166 A171 F172 L173 F350 F407 Y410 V411 I433 L434 A437	E165-L169 VanDerWaalsContact O-CB 3.29Å; E165-L169 WeakPolarHBondContact O-CB 3.49Å; E165-L169 PolarHBondContact O-N 2.91Å; I166-L169 WeakPolarHBondContact O-CB 3.19Å; I166-L169 PolarHBondContact O-N 3.43Å; L169-A171 VanDerWaalsContact C-N 3.33Å; L169-A171 PolarHBondContact O-N 3.33Å; L169-F172 PolarHBondContact O-N 3.44Å; L169-L173 WeakPolarHBondContact O-CB 3.49Å; L169-L173 PolarHBondContact O-N 3.06Å; L169-F350 HydrophobicContact CD1-CE1 3.97Å; L169-F350 HydrophobicContact CD1-CZ 3.75Å; L169-F407 HydrophobicContact CD1-CE2 3.6Å; L169-F407 HydrophobicContact CD1-CZ 3.78Å; L169-F407 HydrophobicContact CG-CE2 4.37Å; L169-Y410 HydrophobicContact CB-CE1 4.06Å; L169-Y410 HydrophobicContact CD1-CE1 4.45Å; L169-V411 HydrophobicContact CD1-CG2 3.76Å; L169-I433 HydrophobicContact CB-CD1 4.36Å; L169-I433 HydrophobicContact CD2-CB 4.44Å; L169-I433 HydrophobicContact CD2-CD1 4.01Å; L169-I433 HydrophobicContact CD2-CG1 3.84Å; L169-I433 HydrophobicContact CD2-CG2 4.07Å; L169-L434 HydrophobicContact CD2-CD2 3.75Å; L169-A437 HydrophobicContact CD2-CB 4.18Å
170	I	98.6	Very high	97.5	Very high	25 Å²	25	53.4 Å²	53.4	13%	0.128	24%	0.244	C	C	.	.	H	α-helix	trans	-58	-46.9	176.6	-72.9	166.1	0	0	0	110.2	I166 E167 K168 L173 R174 L218 A437 L441	I166-I170 HydrophobicContact CG2-CD1 4.19Å; I166-I170 WeakPolarHBondContact O-CG1 3.46Å; I166-I170 PolarHBondContact O-N 3.45Å; E167-I170 PolarHBondContact O-N 3.06Å; K168-I170 PolarHBondContact O-N 3.37Å; I170-L173 PolarHBondContact O-N 3.22Å; I170-R174 WeakPolarHBondContact O-CB 3.49Å; I170-R174 PolarHBondContact O-N 2.64Å; I170-L218 HydrophobicContact CG2-CD2 3.84Å; I170-A437 HydrophobicContact CD1-CB 4.02Å; I170-A437 HydrophobicContact CG1-CB 3.85Å; I170-L441 HydrophobicContact CD1-CD1 4.34Å; I170-L441 HydrophobicContact CD1-CD2 4.32Å; I170-L441 HydrophobicContact CD1-CG 4.1Å; I170-L441 HydrophobicContact CG1-CD1 4.43Å; I170-L441 HydrophobicContact CG2-CD2 4.48Å
171	A	98.5	Very high	97.2	Very high	28 Å²	28	46.5 Å²	46.5	23%	0.231	22%	0.215	C	C	.	.	H	α-helix	trans	-62.3	-46.6	179.9	0	0	0	0	0	112.5	E167 K168 L169 R174 R175	E167-A171 WeakPolarHBondContact O-CB 3.47Å; E167-A171 PolarHBondContact O-N 3.47Å; K168-A171 PolarHBondContact O-N 2.87Å; K168-A171 VanDerWaalsContact O-N 3.16Å; L169-A171 VanDerWaalsContact C-N 3.33Å; L169-A171 PolarHBondContact O-N 3.33Å; A171-R174 PolarHBondContact O-N 3Å; A171-R175 WeakPolarHBondContact O-CB 3.45Å; A171-R175 PolarHBondContact O-N 3.28Å
172	F	98.5	Very high	96.9	Very high	68 Å²	68	49.7 Å²	49.7	30%	0.298	23%	0.227	S	C	.	.	H	α-helix	trans	-65.1	-39.7	178	-85.5	-78.4	0	0	0	112.4	K168 L169 R175 S176 F407 Y410	K168-F172 VanDerWaalsContact O-CD2 3.27Å; K168-F172 WeakPolarHBondContact O-CD2 3.47Å; K168-F172 PolarHBondContact O-N 3.16Å; L169-F172 PolarHBondContact O-N 3.44Å; F172-R175 PolarHBondContact O-N 3.23Å; F172-S176 WeakPolarHBondContact O-CB 3.48Å; F172-S176 PolarHBondContact O-N 3.41Å; F172-S176 PolarHBondContact O-OG 2.93Å; F172-F407 HydrophobicContact CB-CD2 3.83Å; F172-Y410 HydrophobicContact CB-CD1 4.18Å; F172-Y410 AromaticContact CD2-CD1 3.52Å; F172-Y410 HydrophobicContact CD2-CD1 3.52Å; F172-Y410 AromaticContact CD2-CD2 3.89Å; F172-Y410 HydrophobicContact CD2-CD2 3.89Å; F172-Y410 AromaticContact CD2-CE1 3.97Å; F172-Y410 HydrophobicContact CD2-CE1 3.97Å; F172-Y410 HydrophobicContact CD2-CE2 4.32Å; F172-Y410 AromaticContact CD2-CG 3.47Å; F172-Y410 HydrophobicContact CD2-CG 3.47Å; F172-Y410 VanDerWaalsContact CD2-CG 3.47Å; F172-Y410 HydrophobicContact CE2-CD1 4.12Å; F172-Y410 AromaticContact CE2-CD2 3.6Å; F172-Y410 HydrophobicContact CE2-CD2 3.6Å; F172-Y410 HydrophobicContact CE2-CE2 4.13Å; F172-Y410 AromaticContact CE2-CG 3.6Å; F172-Y410 HydrophobicContact CE2-CG 3.6Å; F172-Y410 AromaticContact CG-CD1 3.97Å; F172-Y410 HydrophobicContact CG-CD1 3.97Å; F172-Y410 HydrophobicContact CG-CG 4.02Å; F172-Y410 HydrophobicContact CZ-CD2 4.28Å; F172-Y410 HydrophobicContact CZ-CG 4.22Å
173	L	98.6	Very high	96	Very high	1 Å²	1	54.9 Å²	54.9	1%	0.005	26%	0.259	C	S	.	.	H	α-helix	trans	-69.2	-43.4	177.5	-170.3	55.1	0	0	0	111.2	L169 I170 R175 S176 I177 L214 L218 P401 Y402 F407	L169-L173 WeakPolarHBondContact O-CB 3.49Å; L169-L173 PolarHBondContact O-N 3.06Å; I170-L173 PolarHBondContact O-N 3.22Å; L173-R175 VanDerWaalsContact C-N 3.31Å; L173-R175 PolarHBondContact O-N 2.88Å; L173-S176 WeakPolarHBondContact O-CB 3.37Å; L173-S176 PolarHBondContact O-N 3.42Å; L173-S176 VanDerWaalsContact O-N 3.12Å; L173-I177 WeakPolarHBondContact O-CG1 3.49Å; L173-I177 PolarHBondContact O-N 3.49Å; L173-L214 HydrophobicContact CD2-CD2 3.75Å; L173-L214 HydrophobicContact CD2-CG 3.9Å; L173-L218 HydrophobicContact CB-CD1 3.72Å; L173-L218 HydrophobicContact CD2-CD1 3.63Å; L173-L218 HydrophobicContact CG-CD1 3.65Å; L173-P401 HydrophobicContact CD1-CB 3.63Å; L173-Y402 HydrophobicContact CD1-CD1 4.08Å; L173-Y402 HydrophobicContact CD1-CE1 4.22Å; L173-Y402 HydrophobicContact CD1-CG 4.46Å; L173-Y402 HydrophobicContact CD2-CD1 4.35Å; L173-Y402 HydrophobicContact CD2-CE1 3.68Å; L173-F407 HydrophobicContact CB-CD2 3.92Å; L173-F407 HydrophobicContact CB-CE2 3.6Å; L173-F407 HydrophobicContact CB-CZ 4.36Å; L173-F407 HydrophobicContact CD1-CD2 4.2Å; L173-F407 HydrophobicContact CD1-CE1 4.39Å; L173-F407 HydrophobicContact CD1-CE2 3.99Å; L173-F407 HydrophobicContact CD1-CG 4.5Å; L173-F407 HydrophobicContact CD1-CZ 4.06Å; L173-F407 HydrophobicContact CG-CE2 4.23Å
174	R	98.4	Very high	95.1	Very high	94 Å²	94	50.5 Å²	50.5	36%	0.355	24%	0.241	S	C	.	.	H	α-helix	trans	-58.6	-42.1	173.4	-177.6	174.4	57	153.7	1.5	111.5	I170 A171 I177 T178 V222	I170-R174 WeakPolarHBondContact O-CB 3.49Å; I170-R174 PolarHBondContact O-N 2.64Å; A171-R174 PolarHBondContact O-N 3Å; R174-I177 PolarHBondContact O-N 3.1Å; R174-T178 WeakPolarHBondContact O-CB 3.21Å; R174-T178 PolarHBondContact O-N 3.04Å; R174-T178 PolarHBondContact O-OG1 2.82Å; R174-V222 HydrophobicContact CG-CG1 3.49Å; R174-V222 VanDerWaalsContact CG-CG1 3.49Å
175	R	97.9	Very high	93.3	Very high	116 Å²	116	49.7 Å²	49.7	44%	0.438	24%	0.244	S	C	.	.	H	α-helix	trans	-63.1	-41.6	174.2	-177.3	59.4	172.4	134.6	1	111.6	A171 F172 L173 I177 T178 C179	A171-R175 WeakPolarHBondContact O-CB 3.45Å; A171-R175 PolarHBondContact O-N 3.28Å; F172-R175 PolarHBondContact O-N 3.23Å; L173-R175 VanDerWaalsContact C-N 3.31Å; L173-R175 PolarHBondContact O-N 2.88Å; R175-I177 PolarHBondContact O-N 3.35Å; R175-T178 WeakPolarHBondContact O-CB 3.32Å; R175-T178 PolarHBondContact O-N 3.26Å; R175-C179 PolarHBondContact NH1-SG 3.29Å; R175-C179 WeakPolarHBondContact O-CB 3.47Å; R175-C179 PolarHBondContact O-N 3.44Å; R175-C179 PolarHBondContact O-SG 2.92Å
176	S	98	Very high	91.3	Very high	0 Å²	0	55.4 Å²	55.4	0%	0	27%	0.27	C	S	.	.	H	α-helix	trans	-60.8	-43.6	177.4	-59.6	0	0	0	0	112.1	F172 L173 Q180 P401 H404 F407	F172-S176 WeakPolarHBondContact O-CB 3.48Å; F172-S176 PolarHBondContact O-N 3.41Å; F172-S176 PolarHBondContact O-OG 2.93Å; L173-S176 WeakPolarHBondContact O-CB 3.37Å; L173-S176 PolarHBondContact O-N 3.42Å; L173-S176 VanDerWaalsContact O-N 3.12Å; S176-Q180 WeakPolarHBondContact O-CG 3.42Å; S176-Q180 PolarHBondContact O-N 3.14Å; S176-Q180 VanDerWaalsContact O-N 3.12Å; S176-P401 WeakPolarHBondContact CB-O 3.49Å; S176-H404 WeakPolarHBondContact OG-CB 3.36Å; S176-F407 VanDerWaalsContact OG-CB 3.31Å; S176-F407 WeakPolarHBondContact OG-CB 3.39Å
177	I	97.8	Very high	89.2	Confident	0 Å²	0	60.8 Å²	60.8	0%	0	30%	0.295	C	S	.	.	H	α-helix	trans	-61	-49.1	172.8	-64.3	170.7	0	0	0	110	L173 R174 R175 C179 Q180 L181 L218 L219 V222 F341 P401	L173-I177 WeakPolarHBondContact O-CG1 3.49Å; L173-I177 PolarHBondContact O-N 3.49Å; R174-I177 PolarHBondContact O-N 3.1Å; R175-I177 PolarHBondContact O-N 3.35Å; I177-C179 PolarHBondContact O-N 3.3Å; I177-Q180 PolarHBondContact O-N 3.47Å; I177-L181 HydrophobicContact CG2-CD1 4.02Å; I177-L181 HydrophobicContact CG2-CG 4.43Å; I177-L181 WeakPolarHBondContact O-CG 3.48Å; I177-L181 PolarHBondContact O-N 3.08Å; I177-L218 HydrophobicContact CD1-CB 3.63Å; I177-L219 HydrophobicContact CG2-CB 4.49Å; I177-L219 HydrophobicContact CG2-CD1 3.69Å; I177-V222 HydrophobicContact CG2-CG2 3.86Å; I177-F341 HydrophobicContact CG1-CE1 4.42Å; I177-F341 HydrophobicContact CG2-CE1 4.05Å; I177-F341 HydrophobicContact CG2-CZ 4.02Å; I177-P401 HydrophobicContact CG1-CB 3.76Å; I177-P401 HydrophobicContact CG1-CG 3.75Å
178	T	96.3	Very high	87.1	Confident	36 Å²	36	61.4 Å²	61.4	22%	0.221	30%	0.297	C	S	.	.	H	α-helix	trans	-59	-45	-179.6	-55.9	0	0	0	0	112.2	R174 R175 L181 K182	R174-T178 WeakPolarHBondContact O-CB 3.21Å; R174-T178 PolarHBondContact O-N 3.04Å; R174-T178 PolarHBondContact O-OG1 2.82Å; R175-T178 WeakPolarHBondContact O-CB 3.32Å; R175-T178 PolarHBondContact O-N 3.26Å; T178-L181 PolarHBondContact O-N 3.16Å; T178-K182 HydrophobicContact CG2-CD 4.44Å; T178-K182 WeakPolarHBondContact O-CG 3.08Å; T178-K182 PolarHBondContact O-N 3.2Å; T178-K182 VanDerWaalsContact O-N 3.09Å
179	C	95.4	Very high	85	Confident	17 Å²	17	62.4 Å²	62.4	12%	0.115	31%	0.311	C	S	.	.	H	α-helix	trans	-60.9	-46.1	177.4	-71.9	0	0	0	0	111.4	R175 I177 L181 K182 V183	R175-C179 PolarHBondContact NH1-SG 3.29Å; R175-C179 WeakPolarHBondContact O-CB 3.47Å; R175-C179 PolarHBondContact O-N 3.44Å; R175-C179 PolarHBondContact O-SG 2.92Å; I177-C179 PolarHBondContact O-N 3.3Å; C179-L181 VanDerWaalsContact C-N 3.32Å; C179-L181 PolarHBondContact O-N 3.03Å; C179-K182 PolarHBondContact O-N 3.06Å; C179-V183 PolarHBondContact O-N 2.94Å
180	Q	94.3	Very high	82.9	Confident	30 Å²	30	66.1 Å²	66.1	14%	0.14	34%	0.335	C	S	.	.	H	α-helix	trans	-66.8	-33.2	-179.5	-69.7	-178.7	49.6	0	0	112.4	S176 I177 L399 L400	S176-Q180 WeakPolarHBondContact O-CG 3.42Å; S176-Q180 PolarHBondContact O-N 3.14Å; S176-Q180 VanDerWaalsContact O-N 3.12Å; I177-Q180 PolarHBondContact O-N 3.47Å; Q180-L399 HydrophobicContact CB-CD1 4.04Å; Q180-L399 HydrophobicContact CB-CD2 4.19Å; Q180-L399 VanDerWaalsContact OE1-CB 3.28Å; Q180-L400 PolarHBondContact NE2-O 3.08Å; Q180-L400 VanDerWaalsContact NE2-O 3.14Å
181	L	92.6	Very high	81.2	Confident	19 Å²	19	68.7 Å²	68.7	10%	0.099	35%	0.348	C	S	.	.	H	α-helix	trans	-68.9	-34.9	173.2	-70.6	175.2	0	0	0	113.2	I177 T178 C179 V183 L184 F188 I202 L219 V222 L223 F341	I177-L181 HydrophobicContact CG2-CD1 4.02Å; I177-L181 HydrophobicContact CG2-CG 4.43Å; I177-L181 WeakPolarHBondContact O-CG 3.48Å; I177-L181 PolarHBondContact O-N 3.08Å; T178-L181 PolarHBondContact O-N 3.16Å; C179-L181 VanDerWaalsContact C-N 3.32Å; C179-L181 PolarHBondContact O-N 3.03Å; L181-V183 VanDerWaalsContact C-N 3.32Å; L181-V183 PolarHBondContact O-N 3.48Å; L181-L184 HydrophobicContact CD2-CD1 3.89Å; L181-L184 WeakPolarHBondContact O-CB 3.44Å; L181-L184 WeakPolarHBondContact O-CG 3.38Å; L181-L184 PolarHBondContact O-N 2.85Å; L181-F188 HydrophobicContact CD2-CZ 4.42Å; L181-I202 HydrophobicContact CD2-CD1 3.73Å; L181-I202 HydrophobicContact CD2-CG1 4.43Å; L181-L219 HydrophobicContact CD1-CD1 3.93Å; L181-V222 HydrophobicContact CD1-CG2 3.89Å; L181-L223 HydrophobicContact CD1-CD2 3.85Å; L181-F341 HydrophobicContact CD2-CE2 3.86Å; L181-F341 HydrophobicContact CD2-CZ 3.75Å; L181-F341 HydrophobicContact CG-CZ 4.02Å
182	K	88.8	Confident	79.3	Confident	154 Å²	154	78.6 Å²	78.6	67%	0.67	38%	0.379	S	S	*	.	H	α-helix	trans	-68.2	-27.8	-178.8	-78	-179.4	176.7	-170.7	0	113.9	T178 C179 L184	T178-K182 HydrophobicContact CG2-CD 4.44Å; T178-K182 WeakPolarHBondContact O-CG 3.08Å; T178-K182 PolarHBondContact O-N 3.2Å; T178-K182 VanDerWaalsContact O-N 3.09Å; C179-K182 PolarHBondContact O-N 3.06Å; K182-L184 PolarHBondContact O-N 3.19Å
183	V	78.2	Confident	77.8	Confident	117 Å²	117	82 Å²	82	71%	0.709	39%	0.394	S	S	*	.	T	Hydrogen-bonded Turn	trans	-78.5	-12.1	-179.4	-179.9	0	0	0	0	111.9	C179 L181 P185	C179-V183 PolarHBondContact O-N 2.94Å; L181-V183 VanDerWaalsContact C-N 3.32Å; L181-V183 PolarHBondContact O-N 3.48Å; V183-P185 WeakPolarHBondContact O-CD 3.37Å
184	L	77.7	Confident	76.8	Confident	20 Å²	20	84.1 Å²	84.1	11%	0.105	41%	0.409	C	S	.	.	S	Bend	trans	-66.6	118.9	177.8	-58.8	173	0	0	0	109.1	L181 K182 F188 V339 L397	L181-L184 HydrophobicContact CD2-CD1 3.89Å; L181-L184 WeakPolarHBondContact O-CB 3.44Å; L181-L184 WeakPolarHBondContact O-CG 3.38Å; L181-L184 PolarHBondContact O-N 2.85Å; K182-L184 PolarHBondContact O-N 3.19Å; L184-F188 HydrophobicContact CD1-CZ 4.24Å; L184-V339 HydrophobicContact CD1-CG1 4.35Å; L184-V339 HydrophobicContact CD1-CG2 3.74Å; L184-V339 HydrophobicContact CD2-CG2 3.75Å; L184-V339 HydrophobicContact CG-CG2 4.39Å; L184-L397 HydrophobicContact CD2-CD2 3.45Å; L184-L397 VanDerWaalsContact CD2-CD2 3.45Å
185	P	59.1	Low	75.8	Confident	83 Å²	83	86 Å²	86	54%	0.539	43%	0.433	S	S	.	.			trans	-55.3	147.1	167.9	17.8	-19.9	0	0	0	107.5	V183 Q187	V183-P185 WeakPolarHBondContact O-CD 3.37Å; P185-Q187 HydrophobicContact CG-CG 4.46Å; P185-Q187 WeakPolarHBondContact O-CA 3.46Å; P185-Q187 VanDerWaalsContact O-CB 3.23Å; P185-Q187 WeakPolarHBondContact O-CB 3.2Å; P185-Q187 WeakPolarHBondContact O-CG 3.14Å; P185-Q187 PolarHBondContact O-N 3.1Å
186	H	55.7	Low	75.2	Confident	186 Å²	186	87.3 Å²	87.3	86%	0.861	45%	0.445	S	S	*	.	S	Bend	trans	-41.2	48.9	-170.6	-61.2	-72.9	0	0	0	118.4	F188	H186-F188 VanDerWaalsContact C-N 3.3Å; H186-F188 PolarHBondContact O-N 3.24Å
187	Q	53.2	Low	74.8	Confident	113 Å²	113	89 Å²	89	53%	0.528	46%	0.455	S	S	.	.			trans	-96.1	13.9	-168.7	-72.7	-179.7	9.6	0	0	111.2	P185 V189	P185-Q187 HydrophobicContact CG-CG 4.46Å; P185-Q187 WeakPolarHBondContact O-CA 3.46Å; P185-Q187 VanDerWaalsContact O-CB 3.23Å; P185-Q187 WeakPolarHBondContact O-CB 3.2Å; P185-Q187 WeakPolarHBondContact O-CG 3.14Å; P185-Q187 PolarHBondContact O-N 3.1Å; Q187-V189 PolarHBondContact O-N 3.39Å
188	F	54.9	Low	74.5	Confident	90 Å²	90	89 Å²	89	40%	0.395	46%	0.455	S	S	.	.			trans	-73.5	11.3	162.6	-66.6	-76.1	0	0	0	112.6	L181 L184 H186 P190 T201 I202 I227	L181-F188 HydrophobicContact CD2-CZ 4.42Å; L184-F188 HydrophobicContact CD1-CZ 4.24Å; H186-F188 VanDerWaalsContact C-N 3.3Å; H186-F188 PolarHBondContact O-N 3.24Å; F188-P190 WeakPolarHBondContact O-CD 3.25Å; F188-P190 VanDerWaalsContact O-N 3.14Å; F188-T201 WeakPolarHBondContact CD1-OG1 3.19Å; F188-I202 HydrophobicContact CE1-CD1 3.74Å; F188-I202 HydrophobicContact CE1-CG1 4.19Å; F188-I202 HydrophobicContact CZ-CD1 4.3Å; F188-I227 HydrophobicContact CD1-CD1 4.24Å; F188-I227 HydrophobicContact CE1-CD1 4.17Å
189	V	53.4	Low	74.1	Confident	112 Å²	112	87.6 Å²	87.6	68%	0.679	45%	0.448	S	S	*	.			trans	-68.7	107.1	167.2	-176	0	0	0	0	106.7	Q187 I191	Q187-V189 PolarHBondContact O-N 3.39Å; V189-I191 PolarHBondContact O-N 3.15Å
190	P	55.5	Low	74	Confident	79 Å²	79	86.8 Å²	86.8	51%	0.513	44%	0.443	S	S	.	.			trans	-61.6	128.4	179.8	-16.5	32.7	0	0	0	107.5	F188 R192	F188-P190 WeakPolarHBondContact O-CD 3.25Å; F188-P190 VanDerWaalsContact O-N 3.14Å; P190-R192 PolarHBondContact O-N 2.75Å
191	I	61.5	Low	73.8	Confident	79 Å²	79	86.2 Å²	86.2	41%	0.405	44%	0.441	S	S	.	.			trans	-57.6	135.9	165.8	-61.9	176	0	0	0	105.9	V189 K193	V189-I191 PolarHBondContact O-N 3.15Å; I191-K193 PolarHBondContact O-N 3.25Å
192	R	60.5	Low	73.9	Confident	236 Å²	236	85.3 Å²	85.3	89%	0.891	44%	0.436	S	S	*	.			trans	-49.8	115.1	179.6	-76.9	-174.1	178.1	-174.2	-0.1	108.6	P190 S194	P190-R192 PolarHBondContact O-N 2.75Å; R192-S194 PolarHBondContact O-N 2.95Å; R192-S194 VanDerWaalsContact O-N 3.15Å
193	K	67.2	Low	74.4	Confident	139 Å²	139	78 Å²	78	60%	0.604	41%	0.405	S	S	*	.			trans	-51.2	121.8	175.2	-72.6	178	175.2	179.3	0	108.4	I191 E228	I191-K193 PolarHBondContact O-N 3.25Å; K193-E228 WeakPolarHBondContact CE-OE1 3.37Å; K193-E228 IonicContact NZ-OE1 2.62Å; K193-E228 PolarHBondContact NZ-OE1 3.01Å
194	S	75.6	Confident	75.3	Confident	47 Å²	47	72.5 Å²	72.5	33%	0.329	37%	0.371	S	S	.	.			trans	-104.3	161.4	163.7	75.7	0	0	0	0	108.6	R192 E196 T197	R192-S194 PolarHBondContact O-N 2.95Å; R192-S194 VanDerWaalsContact O-N 3.15Å; S194-E196 PolarHBondContact O-N 3.39Å; S194-E196 PolarHBondContact OG-N 3.04Å; S194-T197 WeakPolarHBondContact CB-OG1 3.49Å; S194-T197 PolarHBondContact N-OG1 3.44Å; S194-T197 PolarHBondContact O-N 2.85Å; S194-T197 WeakPolarHBondContact OG-CG2 3.38Å; S194-T197 PolarHBondContact OG-N 3.13Å; S194-T197 PolarHBondContact OG-OG1 2.57Å
195	P	77.8	Confident	76.3	Confident	133 Å²	133	72.3 Å²	72.3	86%	0.864	37%	0.37	S	S	*	.	T	Hydrogen-bonded Turn	trans	-54.1	-26.3	173.6	-25.7	34.8	0	0	0	113.4
196	E	85	Confident	78.2	Confident	144 Å²	144	68.4 Å²	68.4	67%	0.673	35%	0.345	S	S	*	.	T	Hydrogen-bonded Turn	trans	-95	-2.7	-177.8	-59.1	178.4	179	0	0	113.5	S194 I333 H334	S194-E196 PolarHBondContact O-N 3.39Å; S194-E196 PolarHBondContact OG-N 3.04Å; E196-I333 CarbonylContact O-C 3.58Å; E196-I333 WeakPolarHBondContact O-CA 3.49Å; E196-H334 PolarHBondContact O-N 2.63Å
197	T	90.2	Very high	80.1	Confident	34 Å²	34	61.2 Å²	61.2	21%	0.209	32%	0.315	C	S	.	.	B	Isolated β-bridge	trans	-128	145	-177.8	54.3	0	0	0	0	112.5	S194 H334	S194-T197 WeakPolarHBondContact CB-OG1 3.49Å; S194-T197 PolarHBondContact N-OG1 3.44Å; S194-T197 PolarHBondContact O-N 2.85Å; S194-T197 WeakPolarHBondContact OG-CG2 3.38Å; S194-T197 PolarHBondContact OG-N 3.13Å; S194-T197 PolarHBondContact OG-OG1 2.57Å; T197-H334 CarbonylContact C-O 3.58Å; T197-H334 WeakPolarHBondContact CA-O 3.48Å; T197-H334 HydrophobicContact CG2-CB 4.29Å
198	T	90.9	Very high	82.2	Confident	0 Å²	0	55.8 Å²	55.8	0%	0	29%	0.29	C	S	.	.			trans	-70.7	167.5	167.6	66.7	0	0	0	0	110.1	D230 L273 I333 H334 S335 S336	T198-D230 WeakPolarHBondContact CB-OD1 3.5Å; T198-D230 WeakPolarHBondContact CB-OD2 3.39Å; T198-D230 WeakPolarHBondContact CG2-OD1 3.1Å; T198-D230 WeakPolarHBondContact CG2-OD2 3.36Å; T198-D230 PolarHBondContact OG1-OD1 3.01Å; T198-D230 PolarHBondContact OG1-OD2 3.36Å; T198-L273 HydrophobicContact CG2-CD1 4.13Å; T198-L273 HydrophobicContact CG2-CD2 4.26Å; T198-I333 HydrophobicContact CG2-CG2 3.63Å; T198-H334 PolarHBondContact N-O 3.45Å; T198-S335 WeakPolarHBondContact OG1-CA 3.48Å; T198-S336 VanDerWaalsContact O-CB 3.32Å; T198-S336 WeakPolarHBondContact O-CB 3.49Å; T198-S336 PolarHBondContact O-OG 3.18Å; T198-S336 PolarHBondContact OG1-N 3.33Å; T198-S336 VanDerWaalsContact OG1-N 3.13Å
199	G	89.4	Confident	84.1	Confident	8 Å²	8	52.3 Å²	52.3	8%	0.082	28%	0.28	C	S	.	.			trans	-96.7	10	168.6	0	0	0	0	0	113.3	E228	G199-E228 WeakPolarHBondContact CA-OE2 3.32Å; G199-E228 PolarHBondContact N-OE2 3.31Å
200	A	92.6	Very high	86.2	Confident	0 Å²	0	47.2 Å²	47.2	0%	0	25%	0.248	C	C	.	.			trans	-73.8	135.6	-174.2	0	0	0	0	0	111.6	E228 D230 S336 A337	A200-E228 WeakPolarHBondContact CA-O 3.48Å; A200-E228 HydrophobicContact CB-CB 3.88Å; A200-E228 WeakPolarHBondContact CB-O 3.25Å; A200-D230 HydrophobicContact CB-CB 4.18Å; A200-D230 VanDerWaalsContact CB-OD1 3.26Å; A200-D230 WeakPolarHBondContact CB-OD1 3.3Å; A200-D230 WeakPolarHBondContact CB-OD2 3.34Å; A200-S336 PolarHBondContact N-OG 2.95Å; A200-S336 CarbonylContact O-C 3.58Å; A200-S336 VanDerWaalsContact O-C 3.23Å; A200-S336 PolarHBondContact O-OG 3.27Å; A200-A337 WeakPolarHBondContact O-CA 3.37Å; A200-A337 PolarHBondContact O-N 2.78Å
201	T	90.6	Very high	88.2	Confident	18 Å²	18	44.1 Å²	44.1	11%	0.11	23%	0.227	C	C	.	.	S	Bend	trans	-95.5	-22.5	172.2	60.7	0	0	0	0	111.3	F188 A337 R338 V339	F188-T201 WeakPolarHBondContact CD1-OG1 3.19Å; T201-A337 WeakPolarHBondContact O-CA 3.4Å; T201-R338 PolarHBondContact O-N 2.91Å; T201-R338 VanDerWaalsContact O-N 3.12Å; T201-V339 PolarHBondContact O-N 3Å
202	I	95.1	Very high	90	Very high	0 Å²	0	40.6 Å²	40.6	0%	0	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.1	140.6	-179.1	-61.3	164.1	0	0	0	109.5	L181 F188 L219 L223 I227 V229 D230 V339 F341	L181-I202 HydrophobicContact CD2-CD1 3.73Å; L181-I202 HydrophobicContact CD2-CG1 4.43Å; F188-I202 HydrophobicContact CE1-CD1 3.74Å; F188-I202 HydrophobicContact CE1-CG1 4.19Å; F188-I202 HydrophobicContact CZ-CD1 4.3Å; I202-L219 HydrophobicContact CG2-CD2 3.9Å; I202-L223 HydrophobicContact CD1-CD1 4.12Å; I202-L223 HydrophobicContact CD1-CD2 3.61Å; I202-I227 HydrophobicContact CD1-CD1 4.35Å; I202-V229 HydrophobicContact CG2-CG1 4.44Å; I202-V229 WeakPolarHBondContact O-CA 3.4Å; I202-D230 PolarHBondContact O-N 3.18Å; I202-V339 HydrophobicContact CG1-CB 4.47Å; I202-F341 HydrophobicContact CG2-CD2 3.65Å; I202-F341 HydrophobicContact CG2-CE2 3.71Å
203	S	97.7	Very high	91.8	Very high	0 Å²	0	29.4 Å²	29.4	0%	0	17%	0.168	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.2	159.2	169.9	63	0	0	0	0	111.5	D230 V339 L340 F341	S203-D230 CarbonylContact C-O 3.23Å; S203-D230 WeakPolarHBondContact CA-O 3.45Å; S203-D230 WeakPolarHBondContact CB-O 3.49Å; S203-V339 PolarHBondContact N-O 3.46Å; S203-V339 PolarHBondContact OG-O 2.96Å; S203-L340 CarbonylContact O-C 3.56Å; S203-L340 WeakPolarHBondContact O-CA 3.24Å; S203-L340 WeakPolarHBondContact OG-CA 3.39Å; S203-L340 WeakPolarHBondContact OG-CB 3.44Å; S203-F341 PolarHBondContact O-N 3.07Å
204	V	98.6	Very high	93.3	Very high	1 Å²	1	22.9 Å²	22.9	1%	0.006	14%	0.139	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.2	128.4	171.7	-173.4	0	0	0	0	107.7	F206 L219 V229 D230 L231 L232 F341	V204-F206 HydrophobicContact CG1-CB 4.47Å; V204-F206 HydrophobicContact CG1-CD2 4.36Å; V204-F206 PolarHBondContact O-N 3.41Å; V204-F206 VanDerWaalsContact O-N 3.15Å; V204-L219 HydrophobicContact CG2-CD2 3.78Å; V204-V229 HydrophobicContact CG2-CG1 4.11Å; V204-D230 PolarHBondContact N-O 3.44Å; V204-L231 HydrophobicContact CB-CD2 3.89Å; V204-L231 HydrophobicContact CG2-CD2 4.07Å; V204-L232 PolarHBondContact O-N 2.94Å; V204-F341 HydrophobicContact CG1-CB 4.34Å; V204-F341 HydrophobicContact CG2-CB 4.23Å
205	L	98.2	Very high	94.4	Very high	16 Å²	16	20.6 Å²	20.6	8%	0.084	12%	0.124	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-73.3	107.9	168.4	-167.7	133.8	0	0	0	108.5	I310 A313 L340 F341 L342 I454	L205-I310 HydrophobicContact CD1-CG2 4.31Å; L205-A313 HydrophobicContact CD1-CB 3.55Å; L205-A313 HydrophobicContact CG-CB 4.27Å; L205-L340 HydrophobicContact CB-CD1 4.46Å; L205-L340 HydrophobicContact CB-CD2 4.18Å; L205-F341 PolarHBondContact N-O 3.27Å; L205-L342 HydrophobicContact CB-CD1 3.89Å; L205-L342 HydrophobicContact CD2-CD1 3.67Å; L205-L342 HydrophobicContact CG-CD1 4.22Å; L205-I454 HydrophobicContact CD2-CD1 3.93Å
206	F	98.3	Very high	95.4	Very high	2 Å²	2	14.3 Å²	14.3	1%	0.009	8%	0.083	C	C	.	.			trans	-124.3	101.2	-155.6	-170.9	-104.5	0	0	0	112.3	V204 L213 A216 L231 L232 N233 G254 L261 L272	V204-F206 HydrophobicContact CG1-CB 4.47Å; V204-F206 HydrophobicContact CG1-CD2 4.36Å; V204-F206 PolarHBondContact O-N 3.41Å; V204-F206 VanDerWaalsContact O-N 3.15Å; F206-L213 HydrophobicContact CE2-CB 4.49Å; F206-L213 HydrophobicContact CE2-CD1 4.31Å; F206-L213 HydrophobicContact CZ-CD1 4.12Å; F206-A216 HydrophobicContact CD2-CB 4.25Å; F206-A216 HydrophobicContact CE2-CB 3.91Å; F206-L231 HydrophobicContact CB-CB 3.85Å; F206-L231 HydrophobicContact CB-CD2 4.27Å; F206-L231 HydrophobicContact CD1-CB 3.95Å; F206-L231 HydrophobicContact CD1-CD1 3.94Å; F206-L231 HydrophobicContact CD1-CG 4.39Å; F206-L231 HydrophobicContact CD2-CD2 4.04Å; F206-L231 HydrophobicContact CE1-CD1 3.91Å; F206-L231 HydrophobicContact CE2-CD1 4.49Å; F206-L231 HydrophobicContact CG-CB 3.96Å; F206-L231 HydrophobicContact CG-CD1 4.25Å; F206-L231 HydrophobicContact CG-CD2 4.06Å; F206-L231 HydrophobicContact CG-CG 4.32Å; F206-L231 HydrophobicContact CZ-CD1 4.2Å; F206-L232 PolarHBondContact N-O 2.93Å; F206-N233 WeakPolarHBondContact O-CB 3.46Å; F206-N233 PolarHBondContact O-ND2 3.39Å; F206-G254 WeakPolarHBondContact CE1-O 3.44Å; F206-L261 HydrophobicContact CE2-CD1 3.9Å; F206-L261 HydrophobicContact CZ-CD1 3.72Å; F206-L272 HydrophobicContact CD1-CD1 4.34Å
207	S	96.9	Very high	96	Very high	34 Å²	34	7.6 Å²	7.6	24%	0.238	5%	0.052	C	C	.	.			trans	-87.1	-11	172.6	65.1	0	0	0	0	113	G209 S212 G254	S207-G209 PolarHBondContact O-N 3.31Å; S207-G209 PolarHBondContact OG-N 3.03Å; S207-G209 VanDerWaalsContact OG-N 3.17Å; S207-S212 PolarHBondContact N-OG 2.9Å; S207-S212 PolarHBondContact OG-OG 2.54Å; S207-G254 PolarHBondContact O-N 2.79Å; S207-G254 VanDerWaalsContact O-N 3.13Å
208	G	95.7	Very high	96.4	Very high	0 Å²	0	6 Å²	6	0%	0	4%	0.042	C	C	.	.			trans	73.6	-3.4	-168	0	0	0	0	0	113.9	S212 T253	G208-S212 PolarHBondContact N-OG 3.06Å; G208-T253 VanDerWaalsContact O-CG2 3.29Å; G208-T253 WeakPolarHBondContact O-CG2 3.37Å
209	G	96.2	Very high	96.7	Very high	17 Å²	17	6 Å²	6	18%	0.175	4%	0.042	C	C	.	.	S	Bend	trans	-61	156.8	168	0	0	0	0	0	111	S207 D211 S212 L213	S207-G209 PolarHBondContact O-N 3.31Å; S207-G209 PolarHBondContact OG-N 3.03Å; S207-G209 VanDerWaalsContact OG-N 3.17Å; G209-D211 PolarHBondContact O-N 3.36Å; G209-S212 PolarHBondContact O-N 3.42Å; G209-S212 VanDerWaalsContact O-N 3.16Å; G209-S212 PolarHBondContact O-OG 3.47Å; G209-S212 VanDerWaalsContact O-OG 3.06Å; G209-L213 WeakPolarHBondContact O-CB 3.23Å; G209-L213 PolarHBondContact O-N 2.87Å
210	I	97.3	Very high	97.1	Very high	5 Å²	5	5.6 Å²	5.6	3%	0.026	4%	0.038	C	C	.	.	H	α-helix	trans	-54.5	-31.1	-169.7	62.5	166.7	0	0	0	114	L214 K431 L434 R435 L438	I210-L214 VanDerWaalsContact O-CB 3.25Å; I210-L214 WeakPolarHBondContact O-CB 3.38Å; I210-L214 PolarHBondContact O-N 2.75Å; I210-K431 HydrophobicContact CD1-CB 3.72Å; I210-K431 HydrophobicContact CD1-CD 3.54Å; I210-K431 HydrophobicContact CD1-CG 4.23Å; I210-K431 HydrophobicContact CG1-CD 4.14Å; I210-L434 HydrophobicContact CD1-CB 4.3Å; I210-R435 HydrophobicContact CD1-CG 3.86Å; I210-L438 HydrophobicContact CB-CD1 3.54Å; I210-L438 HydrophobicContact CG2-CD1 3.67Å
211	D	97.8	Very high	97.3	Very high	13 Å²	13	9 Å²	9	7%	0.07	6%	0.059	C	C	.	.	H	α-helix	trans	-68.3	-55.2	-179.4	-45.3	-48.4	0	0	0	111.2	G209 L213 L214 V215 A346 Y402 K431	G209-D211 PolarHBondContact O-N 3.36Å; D211-L213 VanDerWaalsContact C-N 3.3Å; D211-L213 PolarHBondContact O-N 3.42Å; D211-L214 PolarHBondContact O-N 2.87Å; D211-V215 WeakPolarHBondContact O-CG2 3.42Å; D211-V215 PolarHBondContact O-N 2.9Å; D211-V215 VanDerWaalsContact O-N 3.11Å; D211-A346 HydrophobicContact CB-CB 3.95Å; D211-A346 VanDerWaalsContact OD1-CB 3.31Å; D211-A346 WeakPolarHBondContact OD1-CB 3.35Å; D211-Y402 WeakPolarHBondContact CA-OH 3.26Å; D211-Y402 HydrophobicContact CB-CE2 4.19Å; D211-Y402 PolarHBondContact O-OH 3.12Å; D211-K431 WeakPolarHBondContact OD1-CD 3.21Å; D211-K431 IonicContact OD1-NZ 3.15Å; D211-K431 PolarHBondContact OD1-NZ 3.01Å; D211-K431 IonicContact OD2-NZ 2.77Å; D211-K431 PolarHBondContact OD2-NZ 3.26Å
212	S	98.2	Very high	97.5	Very high	6 Å²	6	10.3 Å²	10.3	4%	0.042	7%	0.067	C	C	.	.	H	α-helix	trans	-67.6	-32.1	178.1	60.1	0	0	0	0	112.3	S207 G208 G209 A216	S207-S212 PolarHBondContact N-OG 2.9Å; S207-S212 PolarHBondContact OG-OG 2.54Å; G208-S212 PolarHBondContact N-OG 3.06Å; G209-S212 PolarHBondContact O-N 3.42Å; G209-S212 VanDerWaalsContact O-N 3.16Å; G209-S212 PolarHBondContact O-OG 3.47Å; G209-S212 VanDerWaalsContact O-OG 3.06Å; S212-A216 WeakPolarHBondContact O-CB 3.29Å; S212-A216 PolarHBondContact O-N 2.87Å
213	L	98.5	Very high	97.5	Very high	0 Å²	0	10.9 Å²	10.9	0%	0	7%	0.07	C	C	.	.	H	α-helix	trans	-67.9	-46.1	176.6	-178.8	62.9	0	0	0	111.6	F206 G209 D211 V215 A216 A217 L261 L438 Y443 L446	F206-L213 HydrophobicContact CE2-CB 4.49Å; F206-L213 HydrophobicContact CE2-CD1 4.31Å; F206-L213 HydrophobicContact CZ-CD1 4.12Å; G209-L213 WeakPolarHBondContact O-CB 3.23Å; G209-L213 PolarHBondContact O-N 2.87Å; D211-L213 VanDerWaalsContact C-N 3.3Å; D211-L213 PolarHBondContact O-N 3.42Å; L213-V215 VanDerWaalsContact C-N 3.34Å; L213-V215 PolarHBondContact O-N 2.87Å; L213-A216 PolarHBondContact O-N 2.79Å; L213-A217 VanDerWaalsContact O-CB 3.28Å; L213-A217 WeakPolarHBondContact O-CB 3.34Å; L213-A217 PolarHBondContact O-N 2.81Å; L213-L261 HydrophobicContact CD1-CD1 4.28Å; L213-L261 HydrophobicContact CD1-CD2 4.38Å; L213-L261 HydrophobicContact CD1-CG 4.09Å; L213-L438 HydrophobicContact CD2-CD1 4.2Å; L213-L438 HydrophobicContact CD2-CD2 4.04Å; L213-L438 HydrophobicContact CG-CD2 3.95Å; L213-Y443 HydrophobicContact CD1-CD1 4.12Å; L213-Y443 HydrophobicContact CD1-CE1 4.14Å; L213-Y443 HydrophobicContact CD2-CD1 4.19Å; L213-Y443 HydrophobicContact CG-CD1 4.37Å; L213-L446 HydrophobicContact CD2-CB 3.59Å; L213-L446 HydrophobicContact CD2-CD1 3.65Å; L213-L446 HydrophobicContact CD2-CG 4.19Å
214	L	98.6	Very high	97.2	Very high	2 Å²	2	15 Å²	15	1%	0.01	10%	0.097	C	C	.	.	H	α-helix	trans	-65.2	-40.6	178.5	-177.3	60	0	0	0	111.1	L173 I210 D211 A217 L218 L434 A437 L438 L441	L173-L214 HydrophobicContact CD2-CD2 3.75Å; L173-L214 HydrophobicContact CD2-CG 3.9Å; I210-L214 VanDerWaalsContact O-CB 3.25Å; I210-L214 WeakPolarHBondContact O-CB 3.38Å; I210-L214 PolarHBondContact O-N 2.75Å; D211-L214 PolarHBondContact O-N 2.87Å; L214-A217 PolarHBondContact O-N 3.36Å; L214-L218 HydrophobicContact CD1-CD1 4.05Å; L214-L218 HydrophobicContact CD1-CG 4.05Å; L214-L218 HydrophobicContact CG-CD1 4.18Å; L214-L218 WeakPolarHBondContact O-CB 3.08Å; L214-L218 WeakPolarHBondContact O-CG 3.26Å; L214-L218 PolarHBondContact O-N 2.88Å; L214-L434 HydrophobicContact CD2-CB 4.47Å; L214-L434 HydrophobicContact CD2-CD2 3.97Å; L214-A437 HydrophobicContact CD1-CB 4.46Å; L214-A437 HydrophobicContact CD2-CB 4.4Å; L214-L438 HydrophobicContact CB-CD2 3.97Å; L214-L438 HydrophobicContact CB-CG 4.26Å; L214-L438 HydrophobicContact CD1-CD2 4.01Å; L214-L438 HydrophobicContact CD1-CG 4.32Å; L214-L441 HydrophobicContact CD1-CD1 3.5Å; L214-L441 VanDerWaalsContact CD1-CD1 3.5Å
215	V	98.7	Very high	97	Very high	0 Å²	0	18.9 Å²	18.9	0%	0	13%	0.128	C	C	.	.	H	α-helix	trans	-58.9	-49.2	172.8	169.9	0	0	0	0	111.1	D211 L213 L219 F341 P401 Y402	D211-V215 WeakPolarHBondContact O-CG2 3.42Å; D211-V215 PolarHBondContact O-N 2.9Å; D211-V215 VanDerWaalsContact O-N 3.11Å; L213-V215 VanDerWaalsContact C-N 3.34Å; L213-V215 PolarHBondContact O-N 2.87Å; V215-L219 WeakPolarHBondContact O-CB 3.5Å; V215-L219 PolarHBondContact O-N 3.15Å; V215-F341 HydrophobicContact CG1-CB 3.93Å; V215-F341 HydrophobicContact CG1-CD1 4.22Å; V215-F341 HydrophobicContact CG1-CG 4.31Å; V215-P401 HydrophobicContact CG1-CG 4.16Å; V215-P401 HydrophobicContact CG2-CB 4.46Å; V215-P401 HydrophobicContact CG2-CG 4.28Å; V215-Y402 HydrophobicContact CG2-CD2 4.08Å; V215-Y402 HydrophobicContact CG2-CE2 3.43Å; V215-Y402 VanDerWaalsContact CG2-CE2 3.43Å
216	A	98.6	Very high	96.6	Very high	0 Å²	0	21.1 Å²	21.1	0%	0	16%	0.155	C	C	.	.	H	α-helix	trans	-64.4	-42.6	179.1	0	0	0	0	0	112.4	F206 S212 L213 L218 L219 G220 L231 L261 W270	F206-A216 HydrophobicContact CD2-CB 4.25Å; F206-A216 HydrophobicContact CE2-CB 3.91Å; S212-A216 WeakPolarHBondContact O-CB 3.29Å; S212-A216 PolarHBondContact O-N 2.87Å; L213-A216 PolarHBondContact O-N 2.79Å; A216-L218 PolarHBondContact O-N 2.85Å; A216-L219 WeakPolarHBondContact O-CB 3.31Å; A216-L219 PolarHBondContact O-N 2.82Å; A216-G220 PolarHBondContact O-N 2.83Å; A216-L231 HydrophobicContact CB-CD2 4.34Å; A216-L261 HydrophobicContact CB-CD1 3.73Å; A216-L261 HydrophobicContact CB-CD2 4.02Å; A216-W270 HydrophobicContact CB-CH2 4.46Å; A216-W270 HydrophobicContact CB-CZ3 4.32Å; A216-W270 VanDerWaalsContact O-CH2 3.23Å; A216-W270 WeakPolarHBondContact O-CH2 3.28Å
217	A	98.5	Very high	96.4	Very high	3 Å²	3	22.2 Å²	22.2	3%	0.025	16%	0.161	C	C	.	.	H	α-helix	trans	-60.6	-48.5	178.7	0	0	0	0	0	111.2	L213 L214 G220 T221 L261 Y443	L213-A217 VanDerWaalsContact O-CB 3.28Å; L213-A217 WeakPolarHBondContact O-CB 3.34Å; L213-A217 PolarHBondContact O-N 2.81Å; L214-A217 PolarHBondContact O-N 3.36Å; A217-G220 PolarHBondContact O-N 2.95Å; A217-T221 PolarHBondContact O-N 2.9Å; A217-L261 HydrophobicContact CB-CD2 4.18Å; A217-Y443 HydrophobicContact CB-CD2 4.4Å; A217-Y443 HydrophobicContact CB-CE2 3.6Å
218	L	98.6	Very high	96.2	Very high	1 Å²	1	21.7 Å²	21.7	1%	0.005	16%	0.155	C	C	.	.	H	α-helix	trans	-70.2	-34.7	178.3	-65	-179.3	0	0	0	112.5	I170 L173 I177 L214 A216 G220 T221 V222 L441	I170-L218 HydrophobicContact CG2-CD2 3.84Å; L173-L218 HydrophobicContact CB-CD1 3.72Å; L173-L218 HydrophobicContact CD2-CD1 3.63Å; L173-L218 HydrophobicContact CG-CD1 3.65Å; I177-L218 HydrophobicContact CD1-CB 3.63Å; L214-L218 HydrophobicContact CD1-CD1 4.05Å; L214-L218 HydrophobicContact CD1-CG 4.05Å; L214-L218 HydrophobicContact CG-CD1 4.18Å; L214-L218 WeakPolarHBondContact O-CB 3.08Å; L214-L218 WeakPolarHBondContact O-CG 3.26Å; L214-L218 PolarHBondContact O-N 2.88Å; A216-L218 PolarHBondContact O-N 2.85Å; L218-G220 VanDerWaalsContact C-N 3.26Å; L218-G220 PolarHBondContact O-N 2.97Å; L218-T221 PolarHBondContact O-N 3.48Å; L218-T221 VanDerWaalsContact O-N 3.08Å; L218-T221 PolarHBondContact O-OG1 2.91Å; L218-V222 PolarHBondContact O-N 3.48Å; L218-L441 HydrophobicContact CD2-CD1 3.79Å; L218-L441 HydrophobicContact CD2-CD2 4.4Å; L218-L441 HydrophobicContact CG-CD1 4.42Å
219	L	97.7	Very high	96.3	Very high	0 Å²	0	21.7 Å²	21.7	0%	0	16%	0.155	C	C	.	.	H	α-helix	trans	-57.3	-43.5	170.5	-179	65.7	0	0	0	110.6	I177 L181 I202 V204 V215 A216 T221 V222 L223 V229 F341	I177-L219 HydrophobicContact CG2-CB 4.49Å; I177-L219 HydrophobicContact CG2-CD1 3.69Å; L181-L219 HydrophobicContact CD1-CD1 3.93Å; I202-L219 HydrophobicContact CG2-CD2 3.9Å; V204-L219 HydrophobicContact CG2-CD2 3.78Å; V215-L219 WeakPolarHBondContact O-CB 3.5Å; V215-L219 PolarHBondContact O-N 3.15Å; A216-L219 WeakPolarHBondContact O-CB 3.31Å; A216-L219 PolarHBondContact O-N 2.82Å; L219-T221 PolarHBondContact O-N 3.5Å; L219-V222 HydrophobicContact CD1-CG2 4.22Å; L219-V222 VanDerWaalsContact O-CG2 3.24Å; L219-V222 WeakPolarHBondContact O-CG2 3.48Å; L219-V222 PolarHBondContact O-N 3.31Å; L219-V222 VanDerWaalsContact O-N 3.12Å; L219-L223 HydrophobicContact CD1-CD1 3.79Å; L219-L223 HydrophobicContact CD1-CD2 4.13Å; L219-L223 HydrophobicContact CD1-CG 3.87Å; L219-L223 HydrophobicContact CD2-CD1 4.2Å; L219-L223 HydrophobicContact CG-CD1 3.61Å; L219-L223 HydrophobicContact CG-CG 4.1Å; L219-L223 VanDerWaalsContact O-CG 3.3Å; L219-L223 WeakPolarHBondContact O-CG 3.27Å; L219-L223 PolarHBondContact O-N 3.23Å; L219-V229 HydrophobicContact CD2-CG1 4.13Å; L219-F341 HydrophobicContact CD1-CD2 4.5Å; L219-F341 HydrophobicContact CD1-CE2 3.92Å; L219-F341 HydrophobicContact CD1-CZ 4.15Å; L219-F341 HydrophobicContact CD2-CD2 4.12Å; L219-F341 HydrophobicContact CD2-CE2 4.31Å
220	G	96.9	Very high	96.4	Very high	0 Å²	0	20.9 Å²	20.9	0%	0	15%	0.146	C	C	.	.	H	α-helix	trans	-56.6	-32.3	174.7	0	0	0	0	0	113.9	A216 A217 L218 H267	A216-G220 PolarHBondContact O-N 2.83Å; A217-G220 PolarHBondContact O-N 2.95Å; L218-G220 VanDerWaalsContact C-N 3.26Å; L218-G220 PolarHBondContact O-N 2.97Å; G220-H267 PolarHBondContact O-CE1 3.33Å; G220-H267 PolarHBondContact O-NE2 2.8Å
221	T	96.6	Very high	96.4	Very high	72 Å²	72	20.6 Å²	20.6	44%	0.442	15%	0.145	S	C	.	.	H	α-helix	trans	-76.7	-19.4	179.4	71.5	0	0	0	0	114.7	A217 L218 L219	A217-T221 PolarHBondContact O-N 2.9Å; L218-T221 PolarHBondContact O-N 3.48Å; L218-T221 VanDerWaalsContact O-N 3.08Å; L218-T221 PolarHBondContact O-OG1 2.91Å; L219-T221 PolarHBondContact O-N 3.5Å
222	V	95.4	Very high	96.5	Very high	45 Å²	45	20.1 Å²	20.1	27%	0.273	14%	0.142	S	C	.	.	H	α-helix	trans	-105.5	-14.4	-174.9	-57.9	0	0	0	0	113.3	R174 I177 L181 L218 L219	R174-V222 HydrophobicContact CG-CG1 3.49Å; R174-V222 VanDerWaalsContact CG-CG1 3.49Å; I177-V222 HydrophobicContact CG2-CG2 3.86Å; L181-V222 HydrophobicContact CD1-CG2 3.89Å; L218-V222 PolarHBondContact O-N 3.48Å; L219-V222 HydrophobicContact CD1-CG2 4.22Å; L219-V222 VanDerWaalsContact O-CG2 3.24Å; L219-V222 WeakPolarHBondContact O-CG2 3.48Å; L219-V222 PolarHBondContact O-N 3.31Å; L219-V222 VanDerWaalsContact O-N 3.12Å
223	L	94.2	Very high	96.4	Very high	12 Å²	12	19.9 Å²	19.9	6%	0.063	14%	0.141	C	C	.	.	S	Bend	trans	-87.9	147.5	-176.9	-71.2	-178.7	0	0	0	112.2	L181 I202 L219 I227 V229 V268	L181-L223 HydrophobicContact CD1-CD2 3.85Å; I202-L223 HydrophobicContact CD1-CD1 4.12Å; I202-L223 HydrophobicContact CD1-CD2 3.61Å; L219-L223 HydrophobicContact CD1-CD1 3.79Å; L219-L223 HydrophobicContact CD1-CD2 4.13Å; L219-L223 HydrophobicContact CD1-CG 3.87Å; L219-L223 HydrophobicContact CD2-CD1 4.2Å; L219-L223 HydrophobicContact CG-CD1 3.61Å; L219-L223 HydrophobicContact CG-CG 4.1Å; L219-L223 VanDerWaalsContact O-CG 3.3Å; L219-L223 WeakPolarHBondContact O-CG 3.27Å; L219-L223 PolarHBondContact O-N 3.23Å; L223-I227 HydrophobicContact CB-CG2 3.81Å; L223-I227 HydrophobicContact CD1-CD1 4.47Å; L223-I227 HydrophobicContact CD1-CG2 3.88Å; L223-I227 HydrophobicContact CD2-CD1 4.1Å; L223-I227 HydrophobicContact CG-CG2 4.38Å; L223-V229 HydrophobicContact CD1-CG2 3.49Å; L223-V229 VanDerWaalsContact CD1-CG2 3.49Å; L223-V268 HydrophobicContact CB-CG2 4.33Å
224	P	92.5	Very high	96.3	Very high	87 Å²	87	20.4 Å²	20.4	57%	0.565	14%	0.144	S	C	*	.	P	Polyproline II helix	trans	-67.1	155.1	176.4	29.3	-34.9	0	0	0	111.6	I227	P224-I227 HydrophobicContact CG-CB 4.49Å; P224-I227 HydrophobicContact CG-CD1 4.48Å; P224-I227 WeakPolarHBondContact O-CG2 3.3Å
225	A	93.1	Very high	96.2	Very high	81 Å²	81	20.3 Å²	20.3	67%	0.669	14%	0.143	S	C	*	.	T	Hydrogen-bonded Turn	trans	-60.7	143.3	175.1	0	0	0	0	0	111.8	I227 H267	A225-I227 VanDerWaalsContact C-N 3.3Å; A225-I227 PolarHBondContact O-N 3.05Å; A225-H267 CarbonylContact C-O 3.56Å; A225-H267 WeakPolarHBondContact CA-O 3.48Å; A225-H267 HydrophobicContact CB-CB 4.08Å
226	G	91.5	Very high	96	Very high	63 Å²	63	20.4 Å²	20.4	65%	0.649	14%	0.144	S	C	*	.	T	Hydrogen-bonded Turn	trans	82.8	-4.1	178.3	0	0	0	0	0	115.2	H267	G226-H267 PolarHBondContact N-O 3.14Å
227	I	92.7	Very high	95.5	Very high	26 Å²	26	20.8 Å²	20.8	13%	0.133	15%	0.146	C	C	.	.			trans	-67.8	146.3	174.9	-158.3	169.7	0	0	0	110.9	F188 I202 L223 P224 A225 V229 V268 H269	F188-I227 HydrophobicContact CD1-CD1 4.24Å; F188-I227 HydrophobicContact CE1-CD1 4.17Å; I202-I227 HydrophobicContact CD1-CD1 4.35Å; L223-I227 HydrophobicContact CB-CG2 3.81Å; L223-I227 HydrophobicContact CD1-CD1 4.47Å; L223-I227 HydrophobicContact CD1-CG2 3.88Å; L223-I227 HydrophobicContact CD2-CD1 4.1Å; L223-I227 HydrophobicContact CG-CG2 4.38Å; P224-I227 HydrophobicContact CG-CB 4.49Å; P224-I227 HydrophobicContact CG-CD1 4.48Å; P224-I227 WeakPolarHBondContact O-CG2 3.3Å; A225-I227 VanDerWaalsContact C-N 3.3Å; A225-I227 PolarHBondContact O-N 3.05Å; I227-V229 HydrophobicContact CG2-CG2 4.36Å; I227-V268 HydrophobicContact CG2-CG1 4.11Å; I227-V268 HydrophobicContact CG2-CG2 4.17Å; I227-H269 PolarHBondContact O-N 3.08Å
228	E	94.2	Very high	94.6	Very high	22 Å²	22	24.2 Å²	24.2	10%	0.103	17%	0.167	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.5	136.8	171.3	-60.4	-167.9	-168.6	0	0	111.4	K193 G199 A200 H269 N271	K193-E228 WeakPolarHBondContact CE-OE1 3.37Å; K193-E228 IonicContact NZ-OE1 2.62Å; K193-E228 PolarHBondContact NZ-OE1 3.01Å; G199-E228 WeakPolarHBondContact CA-OE2 3.32Å; G199-E228 PolarHBondContact N-OE2 3.31Å; A200-E228 WeakPolarHBondContact CA-O 3.48Å; A200-E228 HydrophobicContact CB-CB 3.88Å; A200-E228 WeakPolarHBondContact CB-O 3.25Å; E228-H269 VanDerWaalsContact CA-O 3.32Å; E228-H269 WeakPolarHBondContact CA-O 3.14Å; E228-H269 HydrophobicContact CG-CB 4.01Å; E228-N271 PolarHBondContact OE2-ND2 3.21Å
229	V	96.8	Very high	93.3	Very high	0 Å²	0	28.6 Å²	28.6	0%	0	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.1	126.6	173.9	-178.5	0	0	0	0	109.8	I202 V204 L219 L223 I227 V268 H269 W270 N271	I202-V229 HydrophobicContact CG2-CG1 4.44Å; I202-V229 WeakPolarHBondContact O-CA 3.4Å; V204-V229 HydrophobicContact CG2-CG1 4.11Å; L219-V229 HydrophobicContact CD2-CG1 4.13Å; L223-V229 HydrophobicContact CD1-CG2 3.49Å; L223-V229 VanDerWaalsContact CD1-CG2 3.49Å; I227-V229 HydrophobicContact CG2-CG2 4.36Å; V229-V268 HydrophobicContact CB-CG1 4.21Å; V229-V268 HydrophobicContact CG2-CG1 3.72Å; V229-H269 PolarHBondContact N-O 3.16Å; V229-W270 HydrophobicContact CB-CE3 3.84Å; V229-W270 HydrophobicContact CB-CZ3 3.78Å; V229-W270 HydrophobicContact CG1-CE3 4Å; V229-W270 HydrophobicContact CG1-CZ3 3.62Å; V229-W270 HydrophobicContact CG2-CZ3 4.27Å; V229-N271 PolarHBondContact O-N 2.84Å
230	D	97.8	Very high	91.7	Very high	0 Å²	0	35.3 Å²	35.3	0%	0	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.4	120.2	177.8	-69	-12.6	0	0	0	111.5	T198 A200 I202 S203 V204 L232 N271 L273 S335	T198-D230 WeakPolarHBondContact CB-OD1 3.5Å; T198-D230 WeakPolarHBondContact CB-OD2 3.39Å; T198-D230 WeakPolarHBondContact CG2-OD1 3.1Å; T198-D230 WeakPolarHBondContact CG2-OD2 3.36Å; T198-D230 PolarHBondContact OG1-OD1 3.01Å; T198-D230 PolarHBondContact OG1-OD2 3.36Å; A200-D230 HydrophobicContact CB-CB 4.18Å; A200-D230 VanDerWaalsContact CB-OD1 3.26Å; A200-D230 WeakPolarHBondContact CB-OD1 3.3Å; A200-D230 WeakPolarHBondContact CB-OD2 3.34Å; I202-D230 PolarHBondContact O-N 3.18Å; S203-D230 CarbonylContact C-O 3.23Å; S203-D230 WeakPolarHBondContact CA-O 3.45Å; S203-D230 WeakPolarHBondContact CB-O 3.49Å; V204-D230 PolarHBondContact N-O 3.44Å; D230-L232 HydrophobicContact CB-CD2 4.07Å; D230-N271 CarbonylContact C-O 3.55Å; D230-N271 WeakPolarHBondContact OD1-CB 3.32Å; D230-N271 PolarHBondContact OD1-ND2 3.25Å; D230-L273 HydrophobicContact CB-CD1 4.32Å; D230-S335 WeakPolarHBondContact OD2-CA 3.3Å; D230-S335 WeakPolarHBondContact OD2-CB 3.15Å; D230-S335 PolarHBondContact OD2-OG 3.11Å
231	L	98.6	Very high	90	Very high	0 Å²	0	38.1 Å²	38.1	0%	0	24%	0.241	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.5	109.5	170.5	-55.3	-178.9	0	0	0	108.5	V204 F206 A216 Y258 L261 W270 N271 L272 L273	V204-L231 HydrophobicContact CB-CD2 3.89Å; V204-L231 HydrophobicContact CG2-CD2 4.07Å; F206-L231 HydrophobicContact CB-CB 3.85Å; F206-L231 HydrophobicContact CB-CD2 4.27Å; F206-L231 HydrophobicContact CD1-CB 3.95Å; F206-L231 HydrophobicContact CD1-CD1 3.94Å; F206-L231 HydrophobicContact CD1-CG 4.39Å; F206-L231 HydrophobicContact CD2-CD2 4.04Å; F206-L231 HydrophobicContact CE1-CD1 3.91Å; F206-L231 HydrophobicContact CE2-CD1 4.49Å; F206-L231 HydrophobicContact CG-CB 3.96Å; F206-L231 HydrophobicContact CG-CD1 4.25Å; F206-L231 HydrophobicContact CG-CD2 4.06Å; F206-L231 HydrophobicContact CG-CG 4.32Å; F206-L231 HydrophobicContact CZ-CD1 4.2Å; A216-L231 HydrophobicContact CB-CD2 4.34Å; L231-Y258 HydrophobicContact CD1-CD2 3.95Å; L231-L261 HydrophobicContact CD1-CD1 3.7Å; L231-W270 HydrophobicContact CD1-CE3 4.15Å; L231-W270 HydrophobicContact CD2-CE3 3.84Å; L231-W270 HydrophobicContact CD2-CZ3 3.95Å; L231-W270 HydrophobicContact CG-CE3 4.06Å; L231-N271 PolarHBondContact N-O 2.82Å; L231-L272 HydrophobicContact CB-CD1 3.93Å; L231-L273 PolarHBondContact O-N 2.96Å
232	L	98.4	Very high	88.2	Confident	2 Å²	2	37.7 Å²	37.7	1%	0.01	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.8	110.4	-176	-51.4	-178.1	0	0	0	109.9	V204 F206 D230 L273 A313 L340	V204-L232 PolarHBondContact O-N 2.94Å; F206-L232 PolarHBondContact N-O 2.93Å; D230-L232 HydrophobicContact CB-CD2 4.07Å; L232-L273 HydrophobicContact CD2-CB 4.05Å; L232-L273 HydrophobicContact CD2-CD1 3.82Å; L232-L273 HydrophobicContact CD2-CG 4.27Å; L232-A313 WeakPolarHBondContact CD1-O 3.27Å; L232-L340 HydrophobicContact CD1-CD1 3.9Å
233	N	97.6	Very high	86.4	Confident	2 Å²	2	42.1 Å²	42.1	1%	0.011	26%	0.256	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.5	111.7	-176.6	-175.3	-84.1	0	0	0	112	F206 D250 R251 L272 L273 V275	F206-N233 WeakPolarHBondContact O-CB 3.46Å; F206-N233 PolarHBondContact O-ND2 3.39Å; N233-D250 PolarHBondContact ND2-O 3.1Å; N233-R251 PolarHBondContact O-NH2 3.06Å; N233-R251 WeakPolarHBondContact OD1-CA 3.39Å; N233-R251 WeakPolarHBondContact OD1-CD 3.47Å; N233-R251 PolarHBondContact OD1-NE 3.14Å; N233-L272 HydrophobicContact CB-CD1 3.91Å; N233-L273 PolarHBondContact N-O 3.4Å; N233-V275 PolarHBondContact O-N 2.79Å
234	V	96.7	Very high	84.8	Confident	10 Å²	10	43.9 Å²	43.9	6%	0.061	27%	0.269	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.4	139.4	-176.2	68.3	0	0	0	0	113.3	F236 V275 V277 F312 A313	V234-F236 HydrophobicContact CG2-CD2 4.35Å; V234-F236 HydrophobicContact CG2-CE2 3.75Å; V234-F236 HydrophobicContact CG2-CZ 4.25Å; V234-V275 CarbonylContact C-O 3.58Å; V234-V275 VanDerWaalsContact CA-O 3.29Å; V234-V275 WeakPolarHBondContact CA-O 3.4Å; V234-V275 HydrophobicContact CB-CB 4.36Å; V234-V275 HydrophobicContact CG2-CB 4.41Å; V234-V275 HydrophobicContact CG2-CG1 4.21Å; V234-V277 HydrophobicContact CG2-CG2 3.91Å; V234-F312 HydrophobicContact CG2-CB 4.3Å; V234-A313 HydrophobicContact CB-CB 3.82Å; V234-A313 HydrophobicContact CG1-CB 3.96Å
235	A	95.6	Very high	83.9	Confident	0 Å²	0	40 Å²	40	0%	0	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.7	134.1	175.5	0	0	0	0	0	110.2	V248 V275 D276 V277	A235-V248 HydrophobicContact CB-CB 4.08Å; A235-V248 HydrophobicContact CB-CG1 4.04Å; A235-V248 HydrophobicContact CB-CG2 3.96Å; A235-V275 PolarHBondContact N-O 3.13Å; A235-D276 WeakPolarHBondContact O-CA 3.07Å; A235-V277 PolarHBondContact O-N 2.74Å
236	F	94	Very high	83.1	Confident	2 Å²	2	39.3 Å²	39.3	1%	0.009	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101	128.3	175.3	-68.3	-99.7	0	0	0	109.9	V234 V277 L282 A309 F312 S458 I460 V463	V234-F236 HydrophobicContact CG2-CD2 4.35Å; V234-F236 HydrophobicContact CG2-CE2 3.75Å; V234-F236 HydrophobicContact CG2-CZ 4.25Å; F236-V277 WeakPolarHBondContact CA-O 3.17Å; F236-V277 HydrophobicContact CD1-CB 3.75Å; F236-V277 HydrophobicContact CD1-CG1 3.82Å; F236-V277 HydrophobicContact CE1-CB 3.78Å; F236-V277 HydrophobicContact CE1-CG1 3.63Å; F236-V277 HydrophobicContact CE1-CG2 4.15Å; F236-V277 HydrophobicContact CG-CB 4.33Å; F236-V277 HydrophobicContact CZ-CB 4.37Å; F236-V277 HydrophobicContact CZ-CG2 4.29Å; F236-L282 HydrophobicContact CD1-CD2 4.16Å; F236-L282 HydrophobicContact CE1-CD1 4.13Å; F236-L282 HydrophobicContact CE1-CD2 4.41Å; F236-A309 HydrophobicContact CE2-CB 4.05Å; F236-A309 HydrophobicContact CZ-CB 4.4Å; F236-F312 HydrophobicContact CE1-CD2 4.03Å; F236-F312 HydrophobicContact CE1-CE2 4.38Å; F236-F312 HydrophobicContact CZ-CD2 4.08Å; F236-S458 PolarHBondContact N-O 3.34Å; F236-I460 HydrophobicContact CB-CB 4.41Å; F236-I460 HydrophobicContact CD1-CB 4.07Å; F236-I460 HydrophobicContact CD1-CD1 4.24Å; F236-I460 HydrophobicContact CD1-CG1 3.9Å; F236-I460 HydrophobicContact CD2-CB 3.57Å; F236-I460 HydrophobicContact CD2-CG1 4.28Å; F236-I460 HydrophobicContact CE1-CB 4.24Å; F236-I460 HydrophobicContact CE1-CD1 3.69Å; F236-I460 HydrophobicContact CE1-CG1 3.88Å; F236-I460 HydrophobicContact CE2-CB 3.77Å; F236-I460 HydrophobicContact CE2-CD1 4.16Å; F236-I460 HydrophobicContact CE2-CG1 4.27Å; F236-I460 HydrophobicContact CG-CB 3.74Å; F236-I460 HydrophobicContact CG-CG1 4.11Å; F236-I460 HydrophobicContact CZ-CB 4.11Å; F236-I460 HydrophobicContact CZ-CD1 3.65Å; F236-I460 HydrophobicContact CZ-CG1 4.08Å; F236-V463 HydrophobicContact CB-CB 4.17Å; F236-V463 HydrophobicContact CB-CG2 3.82Å
237	T	87.6	Confident	82.8	Confident	9 Å²	9	38.3 Å²	38.3	6%	0.055	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.6	151.7	-179.4	64.2	0	0	0	0	111.5	D239 C244 V277 R279	T237-D239 WeakPolarHBondContact CB-O 3.31Å; T237-D239 PolarHBondContact OG1-O 3.44Å; T237-C244 HydrophobicContact CG2-CB 4.27Å; T237-V277 PolarHBondContact N-O 2.79Å; T237-R279 PolarHBondContact O-N 3.28Å; T237-R279 VanDerWaalsContact O-N 3.12Å
238	V	80.5	Confident	82.8	Confident	75 Å²	75	37.1 Å²	37.1	46%	0.455	21%	0.214	S	C	.	.	S	Bend	trans	-77.7	-40.5	172.6	-179.2	0	0	0	0	110.1	V463	V238-V463 HydrophobicContact CG2-CG2 4.26Å
239	D	71.9	Confident	82.8	Confident	93 Å²	93	37.1 Å²	37.1	50%	0.497	22%	0.216	S	C	.	.	S	Bend	trans	-104.5	158.1	-176.1	-53.7	-40.8	0	0	0	111.6	T237 S241	T237-D239 WeakPolarHBondContact CB-O 3.31Å; T237-D239 PolarHBondContact OG1-O 3.44Å; D239-S241 PolarHBondContact O-N 3.21Å
240	E	64	Low	82.7	Confident	141 Å²	141	37.7 Å²	37.7	66%	0.659	22%	0.218	S	C	*	.	S	Bend	trans	-73.2	-7.5	177	-60.4	-171.3	164.8	0	0	112.9	H242 T278	E240-H242 PolarHBondContact O-N 3Å; E240-T278 HydrophobicContact CG-CG2 4.18Å
241	S	60.5	Low	82.6	Confident	58 Å²	58	37.8 Å²	37.8	41%	0.406	22%	0.219	S	C	.	.			trans	-76	119.4	-179.7	69.1	0	0	0	0	111.5	D239 N243 C244	D239-S241 PolarHBondContact O-N 3.21Å; S241-N243 PolarHBondContact O-N 3.23Å; S241-N243 VanDerWaalsContact O-N 3.1Å; S241-C244 WeakPolarHBondContact O-CB 3.42Å; S241-C244 PolarHBondContact O-N 2.69Å; S241-C244 PolarHBondContact OG-SG 3.13Å
242	H	58.4	Low	82.5	Confident	63 Å²	63	42.4 Å²	42.4	29%	0.292	24%	0.24	S	C	.	.	G	3₁₀ helix	trans	-56.5	-26.5	176.8	-70.3	-63.6	0	0	0	113.3	E240 C244 S245 D276 I319	E240-H242 PolarHBondContact O-N 3Å; H242-C244 PolarHBondContact O-N 2.71Å; H242-C244 VanDerWaalsContact O-N 3.15Å; H242-S245 PolarHBondContact O-N 2.93Å; H242-S245 VanDerWaalsContact O-N 3.08Å; H242-S245 PolarHBondContact O-OG 3Å; H242-D276 IonicContact CE1-OD2 2.89Å; H242-D276 IonicContact CG-OD2 3.71Å; H242-D276 IonicContact ND1-OD2 2.74Å; H242-D276 PolarHBondContact ND1-OD2 3.17Å; H242-I319 WeakPolarHBondContact CE1-CD1 3.29Å
243	N	59	Low	82.3	Confident	139 Å²	139	43.4 Å²	43.4	74%	0.743	25%	0.247	S	C	*	.	G	3₁₀ helix	trans	-58.7	-29.2	176.8	-75.2	-14.4	0	0	0	112.6	S241 S245 S246	S241-N243 PolarHBondContact O-N 3.23Å; S241-N243 VanDerWaalsContact O-N 3.1Å; N243-S245 VanDerWaalsContact C-N 3.34Å; N243-S245 PolarHBondContact O-N 3.32Å; N243-S246 PolarHBondContact O-OG 2.64Å
244	C	59.3	Low	82.3	Confident	48 Å²	48	43.3 Å²	43.3	32%	0.324	25%	0.246	S	C	.	.	G	3₁₀ helix	trans	-71.3	-25.6	178.7	-68.8	0	0	0	0	113.7	T237 S241 H242 S246	T237-C244 HydrophobicContact CG2-CB 4.27Å; S241-C244 WeakPolarHBondContact O-CB 3.42Å; S241-C244 PolarHBondContact O-N 2.69Å; S241-C244 PolarHBondContact OG-SG 3.13Å; H242-C244 PolarHBondContact O-N 2.71Å; H242-C244 VanDerWaalsContact O-N 3.15Å; C244-S246 VanDerWaalsContact C-N 3.34Å
245	S	73	Confident	82.3	Confident	5 Å²	5	44.6 Å²	44.6	4%	0.035	25%	0.252	C	S	.	.	G	3₁₀ helix	trans	-74.4	-26.5	-179.3	72	0	0	0	0	112.1	H242 N243 A247 V248 R251 D276	H242-S245 PolarHBondContact O-N 2.93Å; H242-S245 VanDerWaalsContact O-N 3.08Å; H242-S245 PolarHBondContact O-OG 3Å; N243-S245 VanDerWaalsContact C-N 3.34Å; N243-S245 PolarHBondContact O-N 3.32Å; S245-A247 PolarHBondContact O-N 3.04Å; S245-A247 VanDerWaalsContact O-N 3.14Å; S245-V248 VanDerWaalsContact O-CB 3.23Å; S245-V248 WeakPolarHBondContact O-CB 2.84Å; S245-V248 WeakPolarHBondContact O-CG2 3.39Å; S245-V248 PolarHBondContact O-N 3.23Å; S245-R251 WeakPolarHBondContact O-CB 3.45Å; S245-R251 WeakPolarHBondContact O-CG 3.24Å; S245-R251 PolarHBondContact OG-NH1 3.2Å; S245-R251 VanDerWaalsContact OG-NH1 3.16Å; S245-D276 WeakPolarHBondContact CB-OD1 3.16Å; S245-D276 WeakPolarHBondContact CB-OD2 3.47Å; S245-D276 PolarHBondContact OG-OD1 2.98Å; S245-D276 PolarHBondContact OG-OD2 2.99Å
246	S	77.1	Confident	82.4	Confident	68 Å²	68	51.2 Å²	51.2	48%	0.476	28%	0.281	S	S	.	.	G	3₁₀ helix	trans	-58.4	-28.2	178.9	71.9	0	0	0	0	114.1	N243 C244 V248 Q252	N243-S246 PolarHBondContact O-OG 2.64Å; C244-S246 VanDerWaalsContact C-N 3.34Å; S246-V248 VanDerWaalsContact C-N 3.33Å; S246-Q252 WeakPolarHBondContact O-CG 3.49Å
247	A	86.1	Confident	82.6	Confident	42 Å²	42	51.1 Å²	51.1	35%	0.347	28%	0.281	S	S	.	.	G	3₁₀ helix	trans	-84.8	-4.3	178.5	0	0	0	0	0	113.4	S245 R459	S245-A247 PolarHBondContact O-N 3.04Å; S245-A247 VanDerWaalsContact O-N 3.14Å; A247-R459 VanDerWaalsContact O-CZ 3.27Å; A247-R459 PolarHBondContact O-NH2 2.75Å
248	V	92.1	Very high	83.1	Confident	1 Å²	1	50.8 Å²	50.8	1%	0.006	28%	0.278	C	S	.	.			trans	-68.7	128	-179.7	173.7	0	0	0	0	109.9	A235 S245 S246 D250 R251 Q252 G457 R459	A235-V248 HydrophobicContact CB-CB 4.08Å; A235-V248 HydrophobicContact CB-CG1 4.04Å; A235-V248 HydrophobicContact CB-CG2 3.96Å; S245-V248 VanDerWaalsContact O-CB 3.23Å; S245-V248 WeakPolarHBondContact O-CB 2.84Å; S245-V248 WeakPolarHBondContact O-CG2 3.39Å; S245-V248 PolarHBondContact O-N 3.23Å; S246-V248 VanDerWaalsContact C-N 3.33Å; V248-D250 PolarHBondContact O-N 2.99Å; V248-R251 HydrophobicContact CB-CB 3.88Å; V248-R251 HydrophobicContact CG1-CB 4.36Å; V248-R251 WeakPolarHBondContact O-CA 2.92Å; V248-R251 WeakPolarHBondContact O-CB 3.22Å; V248-R251 PolarHBondContact O-N 2.71Å; V248-Q252 PolarHBondContact O-N 2.8Å; V248-G457 WeakPolarHBondContact CG1-O 3.34Å; V248-R459 HydrophobicContact CG1-CG 4.24Å; V248-R459 HydrophobicContact CG2-CG 4.3Å
249	P	93.9	Very high	83.9	Confident	22 Å²	22	51.5 Å²	51.5	14%	0.143	28%	0.278	C	S	.	.	H	α-helix	trans	-43.4	-51.3	179.5	-39.4	42.1	0	0	0	116.2	R251 T253 R452 G457	P249-R251 VanDerWaalsContact C-N 3.34Å; P249-T253 PolarHBondContact O-N 3.45Å; P249-T253 VanDerWaalsContact O-N 3.17Å; P249-T253 PolarHBondContact O-OG1 3.23Å; P249-R452 VanDerWaalsContact CB-NH1 3.33Å; P249-G457 WeakPolarHBondContact CB-O 3.28Å
250	D	95.7	Very high	85.1	Confident	11 Å²	11	47.3 Å²	47.3	6%	0.059	26%	0.256	C	S	.	.	H	α-helix	trans	-75.8	-25.3	-178.6	-71.9	-0.5	0	0	0	111.8	N233 V248 G254 G457 S458	N233-D250 PolarHBondContact ND2-O 3.1Å; V248-D250 PolarHBondContact O-N 2.99Å; D250-G254 WeakPolarHBondContact O-CA 3.28Å; D250-G254 PolarHBondContact O-N 3.32Å; D250-G457 PolarHBondContact N-O 2.75Å; D250-G457 VanDerWaalsContact OD1-CA 3.23Å; D250-G457 WeakPolarHBondContact OD1-CA 3.34Å; D250-G457 VanDerWaalsContact OD2-CA 3.23Å; D250-G457 WeakPolarHBondContact OD2-CA 3.35Å; D250-S458 PolarHBondContact OD2-N 3.13Å
251	R	95.2	Very high	86.7	Confident	2 Å²	2	40.6 Å²	40.6	1%	0.008	23%	0.225	C	C	.	.	H	α-helix	trans	-66.9	-47.3	172.5	-179	58.2	57.9	90.3	-4.6	110.9	N233 S245 V248 P249 T253 G254 I255 D276	N233-R251 PolarHBondContact O-NH2 3.06Å; N233-R251 WeakPolarHBondContact OD1-CA 3.39Å; N233-R251 WeakPolarHBondContact OD1-CD 3.47Å; N233-R251 PolarHBondContact OD1-NE 3.14Å; S245-R251 WeakPolarHBondContact O-CB 3.45Å; S245-R251 WeakPolarHBondContact O-CG 3.24Å; S245-R251 PolarHBondContact OG-NH1 3.2Å; S245-R251 VanDerWaalsContact OG-NH1 3.16Å; V248-R251 HydrophobicContact CB-CB 3.88Å; V248-R251 HydrophobicContact CG1-CB 4.36Å; V248-R251 WeakPolarHBondContact O-CA 2.92Å; V248-R251 WeakPolarHBondContact O-CB 3.22Å; V248-R251 PolarHBondContact O-N 2.71Å; P249-R251 VanDerWaalsContact C-N 3.34Å; R251-T253 PolarHBondContact O-N 3.35Å; R251-G254 PolarHBondContact O-N 3.32Å; R251-I255 HydrophobicContact CG-CD1 3.97Å; R251-I255 VanDerWaalsContact O-CG1 3.28Å; R251-I255 WeakPolarHBondContact O-CG1 3.45Å; R251-I255 PolarHBondContact O-N 3.15Å; R251-D276 IonicContact CZ-OD1 2.99Å; R251-D276 IonicContact NH1-OD1 2.79Å; R251-D276 PolarHBondContact NH1-OD1 2.96Å; R251-D276 IonicContact NH1-OD2 2.86Å; R251-D276 IonicContact NH2-OD1 3.4Å; R251-D276 PolarHBondContact NH2-OD1 3.48Å
252	Q	95.1	Very high	88.5	Confident	97 Å²	97	41.8 Å²	41.8	45%	0.453	22%	0.222	S	C	.	.	H	α-helix	trans	-61.3	-45.8	178.2	-67.1	-179.7	-30.8	0	0	111.8	S246 V248 K256	S246-Q252 WeakPolarHBondContact O-CG 3.49Å; V248-Q252 PolarHBondContact O-N 2.8Å; Q252-K256 WeakPolarHBondContact O-CG 3.33Å; Q252-K256 PolarHBondContact O-N 2.86Å
253	T	95.7	Very high	90.3	Very high	23 Å²	23	42.5 Å²	42.5	14%	0.141	24%	0.24	C	C	.	.	H	α-helix	trans	-69.7	-40.2	179.9	-44.6	0	0	0	0	110.7	G208 P249 R251 I255 K256 G257	G208-T253 VanDerWaalsContact O-CG2 3.29Å; G208-T253 WeakPolarHBondContact O-CG2 3.37Å; P249-T253 PolarHBondContact O-N 3.45Å; P249-T253 VanDerWaalsContact O-N 3.17Å; P249-T253 PolarHBondContact O-OG1 3.23Å; R251-T253 PolarHBondContact O-N 3.35Å; T253-I255 PolarHBondContact O-N 3.34Å; T253-K256 PolarHBondContact O-N 3.25Å; T253-G257 PolarHBondContact O-N 3.43Å
254	G	97	Very high	92	Very high	0 Å²	0	40.4 Å²	40.4	0%	0	22%	0.221	C	C	.	.	H	α-helix	trans	-58.6	-45.1	173.9	0	0	0	0	0	113.1	F206 S207 D250 R251 K256 G257 Y258	F206-G254 WeakPolarHBondContact CE1-O 3.44Å; S207-G254 PolarHBondContact O-N 2.79Å; S207-G254 VanDerWaalsContact O-N 3.13Å; D250-G254 WeakPolarHBondContact O-CA 3.28Å; D250-G254 PolarHBondContact O-N 3.32Å; R251-G254 PolarHBondContact O-N 3.32Å; G254-K256 PolarHBondContact O-N 3.24Å; G254-G257 PolarHBondContact O-N 2.81Å; G254-Y258 WeakPolarHBondContact O-CB 3.41Å; G254-Y258 PolarHBondContact O-N 3.23Å
255	I	96.9	Very high	93.7	Very high	37 Å²	37	38.6 Å²	38.6	19%	0.19	21%	0.209	C	C	.	.	H	α-helix	trans	-62.2	-45.5	176.8	-68.7	162.7	0	0	0	110.9	R251 T253 G257 Y258 M259 L272 Y321	R251-I255 HydrophobicContact CG-CD1 3.97Å; R251-I255 VanDerWaalsContact O-CG1 3.28Å; R251-I255 WeakPolarHBondContact O-CG1 3.45Å; R251-I255 PolarHBondContact O-N 3.15Å; T253-I255 PolarHBondContact O-N 3.34Å; I255-G257 PolarHBondContact O-N 3.14Å; I255-Y258 WeakPolarHBondContact O-CB 3.42Å; I255-Y258 PolarHBondContact O-N 3.04Å; I255-M259 WeakPolarHBondContact O-CG 3.14Å; I255-M259 PolarHBondContact O-N 2.68Å; I255-L272 HydrophobicContact CB-CD2 4.49Å; I255-L272 HydrophobicContact CG1-CD2 3.87Å; I255-Y321 HydrophobicContact CB-CE2 4.45Å; I255-Y321 HydrophobicContact CD1-CD2 4.14Å; I255-Y321 HydrophobicContact CD1-CE2 3.71Å; I255-Y321 HydrophobicContact CG1-CD2 3.94Å; I255-Y321 HydrophobicContact CG1-CE2 3.74Å; I255-Y321 HydrophobicContact CG2-CE1 4.47Å; I255-Y321 HydrophobicContact CG2-CE2 3.82Å
256	K	97	Very high	94.8	Very high	140 Å²	140	43.2 Å²	43.2	61%	0.609	24%	0.242	S	C	*	.	H	α-helix	trans	-62.3	-43.6	177.3	-66.7	178.8	-179.3	-174.3	0	111.9	Q252 T253 G254 M259 A260 L446	Q252-K256 WeakPolarHBondContact O-CG 3.33Å; Q252-K256 PolarHBondContact O-N 2.86Å; T253-K256 PolarHBondContact O-N 3.25Å; G254-K256 PolarHBondContact O-N 3.24Å; K256-M259 PolarHBondContact O-N 2.92Å; K256-A260 WeakPolarHBondContact O-CB 3.23Å; K256-A260 PolarHBondContact O-N 3.03Å; K256-L446 HydrophobicContact CB-CD2 3.78Å
257	G	97.9	Very high	95.7	Very high	0 Å²	0	43.7 Å²	43.7	0%	0	24%	0.236	C	C	.	.	H	α-helix	trans	-60.9	-42.9	175.9	0	0	0	0	0	112.9	T253 G254 I255 A260 L261	T253-G257 PolarHBondContact O-N 3.43Å; G254-G257 PolarHBondContact O-N 2.81Å; I255-G257 PolarHBondContact O-N 3.14Å; G257-A260 PolarHBondContact O-N 3.18Å; G257-L261 VanDerWaalsContact O-CG 3.31Å; G257-L261 WeakPolarHBondContact O-CG 3.31Å; G257-L261 PolarHBondContact O-N 3.24Å
258	Y	97.9	Very high	96.2	Very high	1 Å²	1	41.9 Å²	41.9	0%	0.004	22%	0.221	C	C	.	.	H	α-helix	trans	-59.3	-48.5	174.6	166.8	-110.5	0	0	0	112.4	L231 G254 I255 A260 L261 K262 W270 L272 Y321 E322	L231-Y258 HydrophobicContact CD1-CD2 3.95Å; G254-Y258 WeakPolarHBondContact O-CB 3.41Å; G254-Y258 PolarHBondContact O-N 3.23Å; I255-Y258 WeakPolarHBondContact O-CB 3.42Å; I255-Y258 PolarHBondContact O-N 3.04Å; Y258-A260 VanDerWaalsContact C-N 3.3Å; Y258-A260 PolarHBondContact O-N 2.93Å; Y258-L261 PolarHBondContact O-N 3.1Å; Y258-K262 HydrophobicContact CD2-CD 4.48Å; Y258-K262 HydrophobicContact CD2-CG 4.35Å; Y258-K262 HydrophobicContact CE1-CD 3.85Å; Y258-K262 HydrophobicContact CE2-CD 3.73Å; Y258-K262 HydrophobicContact CE2-CG 3.95Å; Y258-K262 PolarHBondContact O-N 3.37Å; Y258-K262 WeakPolarHBondContact OH-CD 3.44Å; Y258-W270 HydrophobicContact CD2-CB 4.07Å; Y258-W270 HydrophobicContact CE2-CB 3.78Å; Y258-W270 WeakPolarHBondContact CE2-O 3.39Å; Y258-W270 PolarHBondContact OH-O 2.88Å; Y258-L272 HydrophobicContact CD1-CB 4.04Å; Y258-L272 HydrophobicContact CD1-CD2 4.04Å; Y258-L272 HydrophobicContact CD2-CB 3.59Å; Y258-L272 HydrophobicContact CE1-CB 4.28Å; Y258-L272 HydrophobicContact CE2-CB 3.8Å; Y258-L272 HydrophobicContact CG-CB 3.67Å; Y258-L272 HydrophobicContact CG-CD2 3.94Å; Y258-L272 HydrophobicContact CG-CG 4.33Å; Y258-Y321 HydrophobicContact CD1-CD1 4.08Å; Y258-Y321 AromaticContact CE1-CD1 3.71Å; Y258-Y321 HydrophobicContact CE1-CD1 3.71Å; Y258-Y321 HydrophobicContact CE1-CE1 4.31Å; Y258-E322 VanDerWaalsContact OH-CD 3.22Å; Y258-E322 WeakPolarHBondContact OH-CG 3.45Å; Y258-E322 PolarHBondContact OH-OE1 3.42Å
259	M	97.4	Very high	96.4	Very high	91 Å²	91	45.7 Å²	45.7	45%	0.448	24%	0.238	S	C	.	.	H	α-helix	trans	-60.5	-42.2	177.5	-66.8	-60.4	-166.1	0	0	111.6	I255 K256 K262 A263 Y321	I255-M259 WeakPolarHBondContact O-CG 3.14Å; I255-M259 PolarHBondContact O-N 2.68Å; K256-M259 PolarHBondContact O-N 2.92Å; M259-K262 PolarHBondContact O-N 3.18Å; M259-A263 WeakPolarHBondContact O-CB 3.46Å; M259-A263 PolarHBondContact O-N 2.99Å; M259-Y321 HydrophobicContact CE-CD1 4.43Å; M259-Y321 HydrophobicContact CE-CE1 3.38Å
260	A	97.7	Very high	96.6	Very high	4 Å²	4	44.8 Å²	44.8	3%	0.033	23%	0.232	C	C	.	.	H	α-helix	trans	-63.7	-40.7	177.9	0	0	0	0	0	112.6	K256 G257 Y258 A263 R264 Y443 L446	K256-A260 WeakPolarHBondContact O-CB 3.23Å; K256-A260 PolarHBondContact O-N 3.03Å; G257-A260 PolarHBondContact O-N 3.18Å; Y258-A260 VanDerWaalsContact C-N 3.3Å; Y258-A260 PolarHBondContact O-N 2.93Å; A260-A263 PolarHBondContact O-N 3.2Å; A260-R264 VanDerWaalsContact CB-NH1 3.34Å; A260-R264 WeakPolarHBondContact O-CB 3.42Å; A260-R264 WeakPolarHBondContact O-CG 3.43Å; A260-R264 PolarHBondContact O-N 3.38Å; A260-R264 VanDerWaalsContact O-N 3.15Å; A260-R264 PolarHBondContact O-NH1 3.05Å; A260-Y443 HydrophobicContact CB-CD1 3.79Å; A260-Y443 HydrophobicContact CB-CE1 3.89Å; A260-L446 HydrophobicContact CB-CD1 3.55Å
261	L	98.1	Very high	96.6	Very high	0 Å²	0	44.3 Å²	44.3	0%	0	23%	0.229	C	C	.	.	H	α-helix	trans	-63.9	-46.4	175.1	-73.8	164	0	0	0	111.4	F206 L213 A216 A217 L231 G257 Y258 A263 R264 C265 W270 Y443	F206-L261 HydrophobicContact CE2-CD1 3.9Å; F206-L261 HydrophobicContact CZ-CD1 3.72Å; L213-L261 HydrophobicContact CD1-CD1 4.28Å; L213-L261 HydrophobicContact CD1-CD2 4.38Å; L213-L261 HydrophobicContact CD1-CG 4.09Å; A216-L261 HydrophobicContact CB-CD1 3.73Å; A216-L261 HydrophobicContact CB-CD2 4.02Å; A217-L261 HydrophobicContact CB-CD2 4.18Å; L231-L261 HydrophobicContact CD1-CD1 3.7Å; G257-L261 VanDerWaalsContact O-CG 3.31Å; G257-L261 WeakPolarHBondContact O-CG 3.31Å; G257-L261 PolarHBondContact O-N 3.24Å; Y258-L261 PolarHBondContact O-N 3.1Å; L261-A263 VanDerWaalsContact C-N 3.28Å; L261-A263 PolarHBondContact O-N 2.63Å; L261-R264 PolarHBondContact O-N 2.81Å; L261-C265 WeakPolarHBondContact O-CA 3.44Å; L261-C265 PolarHBondContact O-N 2.79Å; L261-W270 HydrophobicContact CB-CD2 4.23Å; L261-W270 HydrophobicContact CB-CG 4.34Å; L261-W270 HydrophobicContact CD1-CE3 4.42Å; L261-W270 HydrophobicContact CD2-CH2 4.4Å; L261-W270 HydrophobicContact CD2-CZ2 4.18Å; L261-Y443 HydrophobicContact CD2-CE1 4.25Å; L261-Y443 HydrophobicContact CG-CE1 4.43Å
262	K	96.9	Very high	96.7	Very high	83 Å²	83	44.2 Å²	44.2	36%	0.361	23%	0.229	S	C	.	.	H	α-helix	trans	-59.3	-39	176.5	-78.3	-163.9	67.1	180	0	112.8	Y258 M259 W270 E322	Y258-K262 HydrophobicContact CD2-CD 4.48Å; Y258-K262 HydrophobicContact CD2-CG 4.35Å; Y258-K262 HydrophobicContact CE1-CD 3.85Å; Y258-K262 HydrophobicContact CE2-CD 3.73Å; Y258-K262 HydrophobicContact CE2-CG 3.95Å; Y258-K262 PolarHBondContact O-N 3.37Å; Y258-K262 WeakPolarHBondContact OH-CD 3.44Å; M259-K262 PolarHBondContact O-N 3.18Å; K262-W270 HydrophobicContact CG-CB 4.16Å; K262-W270 HydrophobicContact CG-CG 4.49Å; K262-E322 IonicContact NZ-OE1 3.06Å; K262-E322 PolarHBondContact NZ-OE1 3.23Å
263	A	96.8	Very high	96.8	Very high	79 Å²	79	39.6 Å²	39.6	65%	0.653	21%	0.207	S	C	*	.	H	α-helix	trans	-69.7	-35.2	179.6	0	0	0	0	0	112.9	M259 A260 L261	M259-A263 WeakPolarHBondContact O-CB 3.46Å; M259-A263 PolarHBondContact O-N 2.99Å; A260-A263 PolarHBondContact O-N 3.2Å; L261-A263 VanDerWaalsContact C-N 3.28Å; L261-A263 PolarHBondContact O-N 2.63Å
264	R	96.1	Very high	96.8	Very high	94 Å²	94	39.1 Å²	39.1	36%	0.355	20%	0.204	S	C	.	.	H	α-helix	trans	-102.6	-20.7	-171.3	-67.5	171.7	179.7	87.8	-8.5	114.6	A260 L261 G442 E445	A260-R264 VanDerWaalsContact CB-NH1 3.34Å; A260-R264 WeakPolarHBondContact O-CB 3.42Å; A260-R264 WeakPolarHBondContact O-CG 3.43Å; A260-R264 PolarHBondContact O-N 3.38Å; A260-R264 VanDerWaalsContact O-N 3.15Å; A260-R264 PolarHBondContact O-NH1 3.05Å; L261-R264 PolarHBondContact O-N 2.81Å; R264-G442 PolarHBondContact NE-O 2.9Å; R264-G442 PolarHBondContact NH2-O 2.8Å; R264-E445 IonicContact CZ-OE1 3.82Å; R264-E445 VanDerWaalsContact CZ-OE1 3.28Å; R264-E445 IonicContact CZ-OE2 3.83Å; R264-E445 IonicContact NH1-OE1 2.58Å; R264-E445 PolarHBondContact NH1-OE1 3.16Å; R264-E445 IonicContact NH2-OE1 2.57Å; R264-E445 PolarHBondContact NH2-OE1 2.97Å; R264-E445 IonicContact NH2-OE2 3.28Å; R264-E445 PolarHBondContact NH2-OE2 2.98Å
265	C	94.8	Very high	96.6	Very high	11 Å²	11	39.4 Å²	39.4	7%	0.074	21%	0.206	C	C	.	.			trans	-134	61	-179.1	-63.6	0	0	0	0	109.7	L261 H267 V268 W270	L261-C265 WeakPolarHBondContact O-CA 3.44Å; L261-C265 PolarHBondContact O-N 2.79Å; C265-H267 VanDerWaalsContact C-N 3.26Å; C265-H267 PolarHBondContact O-N 3.37Å; C265-V268 PolarHBondContact O-N 3.42Å; C265-W270 HydrophobicContact CB-CZ2 4.22Å; C265-W270 PolarHBondContact O-NE1 2.75Å
266	S	95.7	Very high	96.5	Very high	102 Å²	102	38.5 Å²	38.5	71%	0.713	20%	0.201	S	C	*	.	T	Hydrogen-bonded Turn	trans	-72	-15.7	-175.3	57.8	0	0	0	0	114.2	V268	S266-V268 PolarHBondContact O-N 2.81Å
267	H	96.2	Very high	96.3	Very high	77 Å²	77	31.9 Å²	31.9	36%	0.356	17%	0.173	S	C	.	.	T	Hydrogen-bonded Turn	trans	-72.4	-17	173.7	63.8	-69.4	0	0	0	112.8	G220 A225 G226 C265	G220-H267 PolarHBondContact O-CE1 3.33Å; G220-H267 PolarHBondContact O-NE2 2.8Å; A225-H267 CarbonylContact C-O 3.56Å; A225-H267 WeakPolarHBondContact CA-O 3.48Å; A225-H267 HydrophobicContact CB-CB 4.08Å; G226-H267 PolarHBondContact N-O 3.14Å; C265-H267 VanDerWaalsContact C-N 3.26Å; C265-H267 PolarHBondContact O-N 3.37Å
268	V	96.7	Very high	96	Very high	5 Å²	5	32.8 Å²	32.8	3%	0.03	18%	0.178	C	C	.	.	S	Bend	trans	-98.6	133.4	171.3	175.6	0	0	0	0	109.3	L223 I227 V229 C265 S266 W270	L223-V268 HydrophobicContact CB-CG2 4.33Å; I227-V268 HydrophobicContact CG2-CG1 4.11Å; I227-V268 HydrophobicContact CG2-CG2 4.17Å; V229-V268 HydrophobicContact CB-CG1 4.21Å; V229-V268 HydrophobicContact CG2-CG1 3.72Å; C265-V268 PolarHBondContact O-N 3.42Å; S266-V268 PolarHBondContact O-N 2.81Å; V268-W270 HydrophobicContact CB-CD2 4.49Å; V268-W270 HydrophobicContact CB-CZ2 3.9Å; V268-W270 HydrophobicContact CG1-CD2 3.87Å; V268-W270 HydrophobicContact CG1-CE3 4.27Å; V268-W270 HydrophobicContact CG1-CG 4.36Å; V268-W270 HydrophobicContact CG1-CH2 4.13Å; V268-W270 HydrophobicContact CG1-CZ2 3.71Å; V268-W270 HydrophobicContact CG1-CZ3 4.4Å; V268-W270 HydrophobicContact CG2-CZ2 4.36Å; V268-W270 VanDerWaalsContact O-CD1 3.23Å; V268-W270 PolarHBondContact O-N 3Å
269	H	96.2	Very high	95.6	Very high	80 Å²	80	37.7 Å²	37.7	37%	0.37	20%	0.197	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.6	95.4	173.5	-175.3	80.7	0	0	0	110.1	I227 E228 V229 N271	I227-H269 PolarHBondContact O-N 3.08Å; E228-H269 VanDerWaalsContact CA-O 3.32Å; E228-H269 WeakPolarHBondContact CA-O 3.14Å; E228-H269 HydrophobicContact CG-CB 4.01Å; V229-H269 PolarHBondContact N-O 3.16Å; H269-N271 PolarHBondContact NE2-OD1 3.01Å
270	W	97.6	Very high	95.3	Very high	3 Å²	3	40.9 Å²	40.9	1%	0.011	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-78.2	126.7	177	-57.1	97.2	0	0	0	110.8	A216 V229 L231 Y258 L261 K262 C265 V268	A216-W270 HydrophobicContact CB-CH2 4.46Å; A216-W270 HydrophobicContact CB-CZ3 4.32Å; A216-W270 VanDerWaalsContact O-CH2 3.23Å; A216-W270 WeakPolarHBondContact O-CH2 3.28Å; V229-W270 HydrophobicContact CB-CE3 3.84Å; V229-W270 HydrophobicContact CB-CZ3 3.78Å; V229-W270 HydrophobicContact CG1-CE3 4Å; V229-W270 HydrophobicContact CG1-CZ3 3.62Å; V229-W270 HydrophobicContact CG2-CZ3 4.27Å; L231-W270 HydrophobicContact CD1-CE3 4.15Å; L231-W270 HydrophobicContact CD2-CE3 3.84Å; L231-W270 HydrophobicContact CD2-CZ3 3.95Å; L231-W270 HydrophobicContact CG-CE3 4.06Å; Y258-W270 HydrophobicContact CD2-CB 4.07Å; Y258-W270 HydrophobicContact CE2-CB 3.78Å; Y258-W270 WeakPolarHBondContact CE2-O 3.39Å; Y258-W270 PolarHBondContact OH-O 2.88Å; L261-W270 HydrophobicContact CB-CD2 4.23Å; L261-W270 HydrophobicContact CB-CG 4.34Å; L261-W270 HydrophobicContact CD1-CE3 4.42Å; L261-W270 HydrophobicContact CD2-CH2 4.4Å; L261-W270 HydrophobicContact CD2-CZ2 4.18Å; K262-W270 HydrophobicContact CG-CB 4.16Å; K262-W270 HydrophobicContact CG-CG 4.49Å; C265-W270 HydrophobicContact CB-CZ2 4.22Å; C265-W270 PolarHBondContact O-NE1 2.75Å; V268-W270 HydrophobicContact CB-CD2 4.49Å; V268-W270 HydrophobicContact CB-CZ2 3.9Å; V268-W270 HydrophobicContact CG1-CD2 3.87Å; V268-W270 HydrophobicContact CG1-CE3 4.27Å; V268-W270 HydrophobicContact CG1-CG 4.36Å; V268-W270 HydrophobicContact CG1-CH2 4.13Å; V268-W270 HydrophobicContact CG1-CZ2 3.71Å; V268-W270 HydrophobicContact CG1-CZ3 4.4Å; V268-W270 HydrophobicContact CG2-CZ2 4.36Å; V268-W270 VanDerWaalsContact O-CD1 3.23Å; V268-W270 PolarHBondContact O-N 3Å
271	N	96.4	Very high	95.1	Very high	1 Å²	1	43.2 Å²	43.2	1%	0.005	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.5	113.9	168.6	-71.5	-62.8	0	0	0	109.2	E228 V229 D230 L231 H269 L273 R320	E228-N271 PolarHBondContact OE2-ND2 3.21Å; V229-N271 PolarHBondContact O-N 2.84Å; D230-N271 CarbonylContact C-O 3.55Å; D230-N271 WeakPolarHBondContact OD1-CB 3.32Å; D230-N271 PolarHBondContact OD1-ND2 3.25Å; L231-N271 PolarHBondContact N-O 2.82Å; H269-N271 PolarHBondContact NE2-OD1 3.01Å; N271-L273 HydrophobicContact CB-CD2 4.49Å; N271-L273 PolarHBondContact O-N 3.05Å; N271-R320 PolarHBondContact OD1-NE 2.79Å; N271-R320 PolarHBondContact OD1-NH2 3.44Å
272	L	97.3	Very high	94.9	Very high	0 Å²	0	43.4 Å²	43.4	0%	0	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86	110.2	167.9	-179.4	65.4	0	0	0	109.9	F206 L231 N233 I255 Y258 L274 Y321	F206-L272 HydrophobicContact CD1-CD1 4.34Å; L231-L272 HydrophobicContact CB-CD1 3.93Å; N233-L272 HydrophobicContact CB-CD1 3.91Å; I255-L272 HydrophobicContact CB-CD2 4.49Å; I255-L272 HydrophobicContact CG1-CD2 3.87Å; Y258-L272 HydrophobicContact CD1-CB 4.04Å; Y258-L272 HydrophobicContact CD1-CD2 4.04Å; Y258-L272 HydrophobicContact CD2-CB 3.59Å; Y258-L272 HydrophobicContact CE1-CB 4.28Å; Y258-L272 HydrophobicContact CE2-CB 3.8Å; Y258-L272 HydrophobicContact CG-CB 3.67Å; Y258-L272 HydrophobicContact CG-CD2 3.94Å; Y258-L272 HydrophobicContact CG-CG 4.33Å; L272-L274 HydrophobicContact CD2-CD2 3.89Å; L272-L274 HydrophobicContact CG-CD2 3.81Å; L272-Y321 HydrophobicContact CD2-CD2 4.22Å; L272-Y321 HydrophobicContact CD2-CG 3.99Å; L272-Y321 PolarHBondContact O-N 3.39Å
273	L	96.2	Very high	94.7	Very high	0 Å²	0	44.1 Å²	44.1	0%	0	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.9	118.3	175.5	-58.5	-170.6	0	0	0	110.3	T198 D230 L231 L232 N233 N271 V275 R320	T198-L273 HydrophobicContact CG2-CD1 4.13Å; T198-L273 HydrophobicContact CG2-CD2 4.26Å; D230-L273 HydrophobicContact CB-CD1 4.32Å; L231-L273 PolarHBondContact O-N 2.96Å; L232-L273 HydrophobicContact CD2-CB 4.05Å; L232-L273 HydrophobicContact CD2-CD1 3.82Å; L232-L273 HydrophobicContact CD2-CG 4.27Å; N233-L273 PolarHBondContact N-O 3.4Å; N271-L273 HydrophobicContact CB-CD2 4.49Å; N271-L273 PolarHBondContact O-N 3.05Å; L273-V275 PolarHBondContact O-N 2.83Å; L273-R320 HydrophobicContact CD2-CB 4.24Å
274	L	95.2	Very high	94.6	Very high	13 Å²	13	43.5 Å²	43.5	7%	0.068	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.8	100.4	-179.7	-56.5	-168.6	0	0	0	109.7	L272 D276 G318 I319 Y321 V324	L272-L274 HydrophobicContact CD2-CD2 3.89Å; L272-L274 HydrophobicContact CG-CD2 3.81Å; L274-D276 PolarHBondContact O-N 3.38Å; L274-G318 CarbonylContact O-C 3.53Å; L274-G318 WeakPolarHBondContact O-CA 3.32Å; L274-I319 VanDerWaalsContact CB-O 3.31Å; L274-I319 WeakPolarHBondContact CB-O 3.25Å; L274-I319 WeakPolarHBondContact CG-O 3.2Å; L274-I319 PolarHBondContact N-O 2.79Å; L274-I319 PolarHBondContact O-N 2.71Å; L274-Y321 HydrophobicContact CD1-CD2 4.1Å; L274-Y321 HydrophobicContact CD2-CD2 4.37Å; L274-V324 HydrophobicContact CD1-CG2 3.56Å
275	V	94.8	Very high	94.6	Very high	6 Å²	6	44 Å²	44	4%	0.036	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.4	93.5	177.9	-175.8	0	0	0	0	108.9	N233 V234 A235 L273 V277 F312	N233-V275 PolarHBondContact O-N 2.79Å; V234-V275 CarbonylContact C-O 3.58Å; V234-V275 VanDerWaalsContact CA-O 3.29Å; V234-V275 WeakPolarHBondContact CA-O 3.4Å; V234-V275 HydrophobicContact CB-CB 4.36Å; V234-V275 HydrophobicContact CG2-CB 4.41Å; V234-V275 HydrophobicContact CG2-CG1 4.21Å; A235-V275 PolarHBondContact N-O 3.13Å; L273-V275 PolarHBondContact O-N 2.83Å; V275-V277 HydrophobicContact CG1-CG2 4.26Å; V275-F312 WeakPolarHBondContact CG1-O 3.37Å
276	D	93.1	Very high	94.6	Very high	18 Å²	18	47.2 Å²	47.2	10%	0.096	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.1	124.9	175.2	-67.3	-12.6	0	0	0	109.6	A235 H242 S245 R251 L274	A235-D276 WeakPolarHBondContact O-CA 3.07Å; H242-D276 IonicContact CE1-OD2 2.89Å; H242-D276 IonicContact CG-OD2 3.71Å; H242-D276 IonicContact ND1-OD2 2.74Å; H242-D276 PolarHBondContact ND1-OD2 3.17Å; S245-D276 WeakPolarHBondContact CB-OD1 3.16Å; S245-D276 WeakPolarHBondContact CB-OD2 3.47Å; S245-D276 PolarHBondContact OG-OD1 2.98Å; S245-D276 PolarHBondContact OG-OD2 2.99Å; R251-D276 IonicContact CZ-OD1 2.99Å; R251-D276 IonicContact NH1-OD1 2.79Å; R251-D276 PolarHBondContact NH1-OD1 2.96Å; R251-D276 IonicContact NH1-OD2 2.86Å; R251-D276 IonicContact NH2-OD1 3.4Å; R251-D276 PolarHBondContact NH2-OD1 3.48Å; L274-D276 PolarHBondContact O-N 3.38Å
277	V	93.3	Very high	94.7	Very high	2 Å²	2	43.3 Å²	43.3	1%	0.012	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.1	116.3	-179.9	-174.4	0	0	0	0	108.9	V234 A235 F236 T237 V275 E281 L282 F312	V234-V277 HydrophobicContact CG2-CG2 3.91Å; A235-V277 PolarHBondContact O-N 2.74Å; F236-V277 WeakPolarHBondContact CA-O 3.17Å; F236-V277 HydrophobicContact CD1-CB 3.75Å; F236-V277 HydrophobicContact CD1-CG1 3.82Å; F236-V277 HydrophobicContact CE1-CB 3.78Å; F236-V277 HydrophobicContact CE1-CG1 3.63Å; F236-V277 HydrophobicContact CE1-CG2 4.15Å; F236-V277 HydrophobicContact CG-CB 4.33Å; F236-V277 HydrophobicContact CZ-CB 4.37Å; F236-V277 HydrophobicContact CZ-CG2 4.29Å; T237-V277 PolarHBondContact N-O 2.79Å; V275-V277 HydrophobicContact CG1-CG2 4.26Å; V277-E281 HydrophobicContact CG1-CB 4.15Å; V277-L282 HydrophobicContact CG1-CB 4.44Å; V277-F312 HydrophobicContact CB-CD1 4.45Å; V277-F312 HydrophobicContact CB-CG 4.41Å; V277-F312 HydrophobicContact CG1-CD1 3.87Å; V277-F312 HydrophobicContact CG1-CD2 3.88Å; V277-F312 HydrophobicContact CG1-CE1 3.71Å; V277-F312 HydrophobicContact CG1-CE2 3.74Å; V277-F312 HydrophobicContact CG1-CG 3.95Å; V277-F312 HydrophobicContact CG1-CZ 3.64Å; V277-F312 HydrophobicContact CG2-CB 3.54Å; V277-F312 HydrophobicContact CG2-CD1 3.68Å; V277-F312 HydrophobicContact CG2-CD2 4.13Å; V277-F312 HydrophobicContact CG2-CE1 4.36Å; V277-F312 HydrophobicContact CG2-CG 3.53Å
278	T	91	Very high	94.6	Very high	18 Å²	18	41.1 Å²	41.1	11%	0.11	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-76.4	157.8	177.3	61.6	0	0	0	0	111.2	E240 K280 E281 L282	E240-T278 HydrophobicContact CG-CG2 4.18Å; T278-K280 PolarHBondContact O-N 3.17Å; T278-E281 PolarHBondContact N-OE2 2.72Å; T278-E281 PolarHBondContact O-N 3.26Å; T278-E281 WeakPolarHBondContact OG1-CB 3.44Å; T278-E281 WeakPolarHBondContact OG1-CG 3.38Å; T278-E281 PolarHBondContact OG1-N 2.72Å; T278-E281 VanDerWaalsContact OG1-N 3.1Å; T278-E281 PolarHBondContact OG1-OE2 3.34Å; T278-L282 PolarHBondContact O-N 3.24Å
279	R	90.8	Very high	94.4	Very high	104 Å²	104	45 Å²	45	39%	0.392	23%	0.233	S	C	.	.	H	α-helix	trans	-54.1	-39.8	168.8	-178	176.8	-84.5	174.8	-4.7	111.3	T237 L282 Y283 V463	T237-R279 PolarHBondContact O-N 3.28Å; T237-R279 VanDerWaalsContact O-N 3.12Å; R279-L282 PolarHBondContact O-N 3.24Å; R279-Y283 HydrophobicContact CG-CD2 3.51Å; R279-Y283 HydrophobicContact CG-CE2 3.7Å; R279-Y283 VanDerWaalsContact O-CD2 3.27Å; R279-Y283 WeakPolarHBondContact O-CD2 3.2Å; R279-Y283 PolarHBondContact O-N 2.88Å; R279-V463 HydrophobicContact CB-CG1 4.05Å; R279-V463 HydrophobicContact CG-CG1 4.43Å; R279-V463 PolarHBondContact NE-O 2.89Å; R279-V463 PolarHBondContact NH2-O 2.98Å
280	K	91.4	Very high	94.4	Very high	159 Å²	159	43.4 Å²	43.4	69%	0.691	23%	0.226	S	C	*	.	H	α-helix	trans	-60	-47.2	177.9	-175.3	-179.4	176.8	-177.2	0	112.1	T278 Y283 D284	T278-K280 PolarHBondContact O-N 3.17Å; K280-Y283 PolarHBondContact O-N 3.42Å; K280-D284 PolarHBondContact O-N 2.81Å; K280-D284 VanDerWaalsContact O-N 3.11Å
281	E	93.3	Very high	94.2	Very high	53 Å²	53	43.3 Å²	43.3	25%	0.248	23%	0.225	C	C	.	.	H	α-helix	trans	-63.9	-39.3	176.1	-75.2	164.2	125.2	0	0	112	V277 T278 F312 R332	V277-E281 HydrophobicContact CG1-CB 4.15Å; T278-E281 PolarHBondContact N-OE2 2.72Å; T278-E281 PolarHBondContact O-N 3.26Å; T278-E281 WeakPolarHBondContact OG1-CB 3.44Å; T278-E281 WeakPolarHBondContact OG1-CG 3.38Å; T278-E281 PolarHBondContact OG1-N 2.72Å; T278-E281 VanDerWaalsContact OG1-N 3.1Å; T278-E281 PolarHBondContact OG1-OE2 3.34Å; E281-F312 HydrophobicContact CB-CE1 4.28Å; E281-F312 HydrophobicContact CB-CZ 4.36Å; E281-R332 IonicContact OE1-CZ 2.69Å; E281-R332 IonicContact OE1-NH1 3.13Å; E281-R332 PolarHBondContact OE1-NH1 2.67Å; E281-R332 IonicContact OE1-NH2 3.84Å; E281-R332 PolarHBondContact OE1-NH2 3.41Å
282	L	93.5	Very high	94.1	Very high	3 Å²	3	46.3 Å²	46.3	2%	0.016	24%	0.237	C	C	.	.	H	α-helix	trans	-66.8	-33.9	178.4	178.7	61.3	0	0	0	113.3	F236 V277 T278 R279 Q288 Y308 F312 I460 V463	F236-L282 HydrophobicContact CD1-CD2 4.16Å; F236-L282 HydrophobicContact CE1-CD1 4.13Å; F236-L282 HydrophobicContact CE1-CD2 4.41Å; V277-L282 HydrophobicContact CG1-CB 4.44Å; T278-L282 PolarHBondContact O-N 3.24Å; R279-L282 PolarHBondContact O-N 3.24Å; L282-Q288 WeakPolarHBondContact O-CG 2.83Å; L282-Q288 PolarHBondContact O-NE2 3.04Å; L282-Y308 HydrophobicContact CD1-CD1 3.83Å; L282-Y308 HydrophobicContact CD1-CD2 3.69Å; L282-Y308 HydrophobicContact CD1-CE1 4.2Å; L282-Y308 HydrophobicContact CD1-CE2 4.02Å; L282-Y308 HydrophobicContact CD1-CG 3.61Å; L282-F312 HydrophobicContact CD1-CE2 4.14Å; L282-I460 HydrophobicContact CD1-CD1 4.23Å; L282-I460 HydrophobicContact CD2-CG1 4.19Å; L282-V463 HydrophobicContact CD2-CG1 4.29Å
283	Y	92.4	Very high	93.9	Very high	98 Å²	98	48.9 Å²	48.9	38%	0.384	25%	0.246	S	C	.	.	T	Hydrogen-bonded Turn	trans	-97.9	6.5	-179.2	-75.4	-77.8	0	0	0	114.4	R279 K280 P285 S464	R279-Y283 HydrophobicContact CG-CD2 3.51Å; R279-Y283 HydrophobicContact CG-CE2 3.7Å; R279-Y283 VanDerWaalsContact O-CD2 3.27Å; R279-Y283 WeakPolarHBondContact O-CD2 3.2Å; R279-Y283 PolarHBondContact O-N 2.88Å; K280-Y283 PolarHBondContact O-N 3.42Å; Y283-P285 VanDerWaalsContact O-CD 3.31Å; Y283-P285 WeakPolarHBondContact O-CD 3.41Å; Y283-S464 VanDerWaalsContact OH-C 3.23Å; Y283-S464 VanDerWaalsContact OH-CA 3.28Å; Y283-S464 WeakPolarHBondContact OH-CA 3.25Å; Y283-S464 PolarHBondContact OH-O 2.9Å
284	D	95	Very high	93.7	Very high	67 Å²	67	48.9 Å²	48.9	36%	0.358	25%	0.246	S	C	.	.			trans	-58.4	120.8	171.1	-174.2	-56.9	0	0	0	109.4	K280 S286 V287 Q288	K280-D284 PolarHBondContact O-N 2.81Å; K280-D284 VanDerWaalsContact O-N 3.11Å; D284-S286 PolarHBondContact O-N 3.35Å; D284-S286 WeakPolarHBondContact OD1-CA 3.4Å; D284-S286 VanDerWaalsContact OD1-CB 3.26Å; D284-S286 WeakPolarHBondContact OD1-CB 3.48Å; D284-S286 PolarHBondContact OD1-N 3.01Å; D284-S286 PolarHBondContact OD1-OG 2.64Å; D284-V287 HydrophobicContact CB-CB 4.11Å; D284-V287 HydrophobicContact CB-CG2 3.9Å; D284-V287 PolarHBondContact O-N 2.95Å; D284-V287 PolarHBondContact OD1-N 3.45Å; D284-Q288 WeakPolarHBondContact O-CG 3.23Å; D284-Q288 PolarHBondContact O-N 3.4Å
285	P	95.7	Very high	93.6	Very high	103 Å²	103	48.2 Å²	48.2	67%	0.669	24%	0.243	S	C	*	.	H	α-helix	trans	-57.5	-32.4	-176.8	-27.2	35.6	0	0	0	113.8	Y283 S289	Y283-P285 VanDerWaalsContact O-CD 3.31Å; Y283-P285 WeakPolarHBondContact O-CD 3.41Å; P285-S289 VanDerWaalsContact O-CB 3.27Å; P285-S289 WeakPolarHBondContact O-CB 2.71Å; P285-S289 PolarHBondContact O-N 2.69Å
286	S	96	Very high	93.3	Very high	79 Å²	79	51.9 Å²	51.9	55%	0.552	26%	0.256	S	S	*	.	H	α-helix	trans	-68.4	-40.9	177.3	73.8	0	0	0	0	111.3	D284 H290	D284-S286 PolarHBondContact O-N 3.35Å; D284-S286 WeakPolarHBondContact OD1-CA 3.4Å; D284-S286 VanDerWaalsContact OD1-CB 3.26Å; D284-S286 WeakPolarHBondContact OD1-CB 3.48Å; D284-S286 PolarHBondContact OD1-N 3.01Å; D284-S286 PolarHBondContact OD1-OG 2.64Å; S286-H290 WeakPolarHBondContact O-CB 3.49Å; S286-H290 PolarHBondContact O-N 2.98Å
287	V	95.8	Very high	93.1	Very high	20 Å²	20	54 Å²	54	12%	0.121	27%	0.271	C	S	.	.	H	α-helix	trans	-66.2	-46.8	175.6	174.5	0	0	0	0	110.4	D284 H290 V291 Y308 W311 F312	D284-V287 HydrophobicContact CB-CB 4.11Å; D284-V287 HydrophobicContact CB-CG2 3.9Å; D284-V287 PolarHBondContact O-N 2.95Å; D284-V287 PolarHBondContact OD1-N 3.45Å; V287-H290 PolarHBondContact O-N 3.25Å; V287-V291 HydrophobicContact CG1-CG2 4.17Å; V287-V291 WeakPolarHBondContact O-CG2 3.2Å; V287-V291 PolarHBondContact O-N 3.02Å; V287-Y308 HydrophobicContact CG1-CE1 4.31Å; V287-W311 HydrophobicContact CG1-CE3 4.42Å; V287-W311 HydrophobicContact CG1-CH2 4.32Å; V287-W311 HydrophobicContact CG1-CZ3 3.83Å; V287-W311 HydrophobicContact CG2-CH2 4.46Å; V287-W311 HydrophobicContact CG2-CZ3 4.5Å; V287-F312 HydrophobicContact CG1-CE2 4.15Å; V287-F312 HydrophobicContact CG1-CZ 3.76Å
288	Q	94.6	Very high	92.9	Very high	32 Å²	32	54.7 Å²	54.7	15%	0.15	28%	0.277	C	S	.	.	H	α-helix	trans	-61.8	-48.7	-179.5	-65.1	-160.8	-20.2	0	0	111.8	L282 D284 H290 R292 Y308	L282-Q288 WeakPolarHBondContact O-CG 2.83Å; L282-Q288 PolarHBondContact O-NE2 3.04Å; D284-Q288 WeakPolarHBondContact O-CG 3.23Å; D284-Q288 PolarHBondContact O-N 3.4Å; Q288-H290 VanDerWaalsContact C-N 3.3Å; Q288-H290 PolarHBondContact O-N 3.21Å; Q288-R292 WeakPolarHBondContact O-CB 3.3Å; Q288-R292 WeakPolarHBondContact O-CG 3.41Å; Q288-R292 PolarHBondContact O-N 3.06Å; Q288-Y308 WeakPolarHBondContact CA-OH 3.04Å; Q288-Y308 WeakPolarHBondContact CG-OH 3.22Å
289	S	93.3	Very high	92.9	Very high	85 Å²	85	56 Å²	56	59%	0.594	28%	0.283	S	S	*	.	H	α-helix	trans	-58.5	-44	177.4	-176.1	0	0	0	0	111.4	P285 R293	P285-S289 VanDerWaalsContact O-CB 3.27Å; P285-S289 WeakPolarHBondContact O-CB 2.71Å; P285-S289 PolarHBondContact O-N 2.69Å; S289-R293 WeakPolarHBondContact O-CB 3.33Å; S289-R293 PolarHBondContact O-N 2.94Å; S289-R293 VanDerWaalsContact O-N 3.08Å
290	H	95	Very high	93	Very high	48 Å²	48	52.1 Å²	52.1	22%	0.222	27%	0.271	C	S	.	.	H	α-helix	trans	-65.6	-53	-179.9	-173	74.6	0	0	0	112.6	S286 V287 Q288 R292 R293 L294 W311 D393	S286-H290 WeakPolarHBondContact O-CB 3.49Å; S286-H290 PolarHBondContact O-N 2.98Å; V287-H290 PolarHBondContact O-N 3.25Å; Q288-H290 VanDerWaalsContact C-N 3.3Å; Q288-H290 PolarHBondContact O-N 3.21Å; H290-R292 PolarHBondContact O-N 3.07Å; H290-R293 PolarHBondContact CE1-NH2 3.48Å; H290-R293 PolarHBondContact ND1-NH2 3.28Å; H290-R293 WeakPolarHBondContact O-CB 3.27Å; H290-R293 PolarHBondContact O-N 3.1Å; H290-L294 WeakPolarHBondContact O-CG 2.93Å; H290-L294 PolarHBondContact O-N 3.32Å; H290-W311 AromaticContact CD2-CZ2 3.76Å; H290-W311 AromaticContact CD2-NE1 3.95Å; H290-D393 IonicContact CD2-OD2 3.25Å; H290-D393 IonicContact CE1-OD1 2.93Å; H290-D393 PolarHBondContact CE1-OD1 3.07Å; H290-D393 IonicContact CE1-OD2 2.69Å; H290-D393 VanDerWaalsContact NE2-CG 3.28Å; H290-D393 IonicContact NE2-OD1 2.66Å; H290-D393 PolarHBondContact NE2-OD1 2.83Å; H290-D393 VanDerWaalsContact NE2-OD1 3.1Å; H290-D393 IonicContact NE2-OD2 3.8Å; H290-D393 PolarHBondContact NE2-OD2 3.3Å
291	V	95	Very high	93	Very high	0 Å²	0	45.3 Å²	45.3	0%	0	24%	0.243	C	C	.	.	H	α-helix	trans	-65.1	-39.9	-178.5	176	0	0	0	0	111.4	V287 R293 L294 M295 A307 Y308 W311	V287-V291 HydrophobicContact CG1-CG2 4.17Å; V287-V291 WeakPolarHBondContact O-CG2 3.2Å; V287-V291 PolarHBondContact O-N 3.02Å; V291-R293 VanDerWaalsContact C-N 3.29Å; V291-R293 PolarHBondContact O-N 3.23Å; V291-L294 PolarHBondContact O-N 2.86Å; V291-L294 VanDerWaalsContact O-N 3.14Å; V291-M295 WeakPolarHBondContact O-CG 3.4Å; V291-M295 PolarHBondContact O-N 2.87Å; V291-A307 HydrophobicContact CG1-CB 3.86Å; V291-Y308 HydrophobicContact CB-CD1 4Å; V291-Y308 HydrophobicContact CB-CE1 3.64Å; V291-Y308 HydrophobicContact CG1-CD1 3.74Å; V291-Y308 HydrophobicContact CG1-CE1 3.76Å; V291-Y308 HydrophobicContact CG1-CG 4.37Å; V291-Y308 HydrophobicContact CG2-CD1 3.97Å; V291-Y308 HydrophobicContact CG2-CE1 3.9Å; V291-W311 HydrophobicContact CG2-CB 4.28Å; V291-W311 HydrophobicContact CG2-CD2 3.62Å; V291-W311 HydrophobicContact CG2-CE3 3.85Å; V291-W311 HydrophobicContact CG2-CG 3.81Å; V291-W311 HydrophobicContact CG2-CZ3 4.43Å
292	R	93.5	Very high	92.8	Very high	65 Å²	65	46 Å²	46	25%	0.245	24%	0.243	C	C	.	.	H	α-helix	trans	-60.6	-38.3	174.8	-73	178.6	174.9	153.2	3.2	112.3	Q288 H290 M295 E304 F475	Q288-R292 WeakPolarHBondContact O-CB 3.3Å; Q288-R292 WeakPolarHBondContact O-CG 3.41Å; Q288-R292 PolarHBondContact O-N 3.06Å; H290-R292 PolarHBondContact O-N 3.07Å; R292-M295 VanDerWaalsContact O-CG 3.3Å; R292-M295 WeakPolarHBondContact O-CG 3.41Å; R292-E304 IonicContact CZ-OE1 2.64Å; R292-E304 VanDerWaalsContact CZ-OE1 3.25Å; R292-E304 IonicContact NE-OE1 2.72Å; R292-E304 PolarHBondContact NE-OE1 3.21Å; R292-E304 IonicContact NH2-OE1 3.25Å; R292-E304 PolarHBondContact NH2-OE1 3.44Å; R292-F475 HydrophobicContact CB-CD1 4.3Å; R292-F475 HydrophobicContact CB-CD2 4.38Å; R292-F475 HydrophobicContact CB-CE1 3.89Å; R292-F475 HydrophobicContact CB-CE2 3.9Å; R292-F475 HydrophobicContact CB-CZ 3.65Å; R292-F475 HydrophobicContact CG-CD1 3.67Å; R292-F475 HydrophobicContact CG-CE1 3.52Å; R292-F475 HydrophobicContact CG-CE2 4.33Å; R292-F475 HydrophobicContact CG-CG 4.19Å; R292-F475 HydrophobicContact CG-CZ 3.86Å
293	R	92.3	Very high	92.8	Very high	53 Å²	53	46.5 Å²	46.5	20%	0.2	25%	0.245	C	C	.	.	H	α-helix	trans	-64.2	-44.9	172.5	178.2	-179.5	61.4	100.9	-3.9	111.7	N70 S289 H290 V291	N70-R293 HydrophobicContact CB-CG 4.23Å; N70-R293 PolarHBondContact O-NH1 2.88Å; S289-R293 WeakPolarHBondContact O-CB 3.33Å; S289-R293 PolarHBondContact O-N 2.94Å; S289-R293 VanDerWaalsContact O-N 3.08Å; H290-R293 PolarHBondContact CE1-NH2 3.48Å; H290-R293 PolarHBondContact ND1-NH2 3.28Å; H290-R293 WeakPolarHBondContact O-CB 3.27Å; H290-R293 PolarHBondContact O-N 3.1Å; V291-R293 VanDerWaalsContact C-N 3.29Å; V291-R293 PolarHBondContact O-N 3.23Å
294	L	93.7	Very high	92.9	Very high	0 Å²	0	42.5 Å²	42.5	0%	0	23%	0.23	C	C	.	.	H	α-helix	trans	-64.2	-39	-179.9	-66.4	174.9	0	0	0	112.8	L69 H290 V291 R296 R389 V390 D393	L69-L294 HydrophobicContact CD1-CD2 4.48Å; L69-L294 HydrophobicContact CD2-CD2 4.1Å; H290-L294 WeakPolarHBondContact O-CG 2.93Å; H290-L294 PolarHBondContact O-N 3.32Å; V291-L294 PolarHBondContact O-N 2.86Å; V291-L294 VanDerWaalsContact O-N 3.14Å; L294-R296 VanDerWaalsContact C-N 3.32Å; L294-R296 PolarHBondContact O-N 2.93Å; L294-R389 WeakPolarHBondContact O-CB 3.44Å; L294-R389 WeakPolarHBondContact O-CD 3.36Å; L294-R389 PolarHBondContact O-NE 2.93Å; L294-V390 HydrophobicContact CB-CG1 4.13Å; L294-D393 HydrophobicContact CD1-CB 3.68Å; L294-D393 VanDerWaalsContact CD1-CG 3.5Å; L294-D393 HydrophobicContact CD2-CB 4.11Å
295	M	91.6	Very high	92.9	Very high	0 Å²	0	39.5 Å²	39.5	0%	0	22%	0.215	C	C	.	.	H	α-helix	trans	-75.6	-18.5	-175.4	65.7	-178.6	-73.1	0	0	113.8	V291 R292 A298 D303 E304 A307 L386 R389 F475	V291-M295 WeakPolarHBondContact O-CG 3.4Å; V291-M295 PolarHBondContact O-N 2.87Å; R292-M295 VanDerWaalsContact O-CG 3.3Å; R292-M295 WeakPolarHBondContact O-CG 3.41Å; M295-A298 HydrophobicContact CE-CB 4.37Å; M295-A298 WeakPolarHBondContact CE-O 3.45Å; M295-A298 VanDerWaalsContact O-CB 3.25Å; M295-A298 WeakPolarHBondContact O-CB 3.34Å; M295-A298 PolarHBondContact O-N 2.74Å; M295-D303 VanDerWaalsContact CE-C 3.47Å; M295-D303 HydrophobicContact CE-CB 3.47Å; M295-D303 VanDerWaalsContact CE-CB 3.47Å; M295-E304 HydrophobicContact CE-CB 3.96Å; M295-E304 HydrophobicContact SD-CB 3.97Å; M295-E304 HydrophobicContact SD-CG 4.26Å; M295-A307 HydrophobicContact CB-CB 4.05Å; M295-A307 HydrophobicContact SD-CB 4.24Å; M295-L386 HydrophobicContact CB-CD1 3.99Å; M295-L386 HydrophobicContact CB-CG 4.19Å; M295-L386 HydrophobicContact CE-CD1 4.34Å; M295-R389 PolarHBondContact O-NH2 3.01Å; M295-F475 HydrophobicContact CE-CE1 4.06Å; M295-F475 HydrophobicContact CE-CZ 4.4Å; M295-F475 HydrophobicContact CG-CE1 4.31Å; M295-F475 HydrophobicContact CG-CZ 3.96Å; M295-F475 HydrophobicContact SD-CE1 3.59Å; M295-F475 VanDerWaalsContact SD-CE1 3.59Å; M295-F475 HydrophobicContact SD-CZ 3.87Å
296	R	90	Very high	92.8	Very high	82 Å²	82	36.2 Å²	36.2	31%	0.309	19%	0.191	S	C	.	.	T	Hydrogen-bonded Turn	trans	-54.1	139.2	177	-78.9	-174.9	176.4	122.9	-0.8	111.5	L294 L299 R389 F475	L294-R296 VanDerWaalsContact C-N 3.32Å; L294-R296 PolarHBondContact O-N 2.93Å; R296-L299 HydrophobicContact CG-CD2 3.9Å; R296-R389 PolarHBondContact O-NE 3.28Å; R296-R389 PolarHBondContact O-NH2 3.29Å; R296-F475 HydrophobicContact CG-CE2 4.36Å
297	P	88.2	Confident	92.8	Very high	63 Å²	63	32.4 Å²	32.4	41%	0.409	17%	0.165	S	C	.	.	T	Hydrogen-bonded Turn	cis	-85.2	5	11	35.8	-39.1	0	0	0	115.3	E80 L299	E80-P297 HydrophobicContact CB-CG 3.77Å; P297-L299 WeakPolarHBondContact O-CG 3.43Å
298	A	89.8	Confident	92.9	Very high	17 Å²	17	31.9 Å²	31.9	14%	0.14	16%	0.161	C	C	.	.			trans	-69.8	139.1	171.7	0	0	0	0	0	109.8	M295 D303 L386	M295-A298 HydrophobicContact CE-CB 4.37Å; M295-A298 WeakPolarHBondContact CE-O 3.45Å; M295-A298 VanDerWaalsContact O-CB 3.25Å; M295-A298 WeakPolarHBondContact O-CB 3.34Å; M295-A298 PolarHBondContact O-N 2.74Å; A298-D303 HydrophobicContact CB-CB 3.91Å; A298-L386 HydrophobicContact CB-CD1 3.87Å
299	L	91.1	Very high	93	Very high	45 Å²	45	30.4 Å²	30.4	24%	0.236	15%	0.153	C	C	.	.			trans	-142.7	1.4	-169.5	-64.7	173.5	0	0	0	113.5	R296 P297 L473 A474 F475	R296-L299 HydrophobicContact CG-CD2 3.9Å; P297-L299 WeakPolarHBondContact O-CG 3.43Å; L299-L473 HydrophobicContact CB-CD2 3.79Å; L299-L473 HydrophobicContact CD1-CD2 4.38Å; L299-L473 CarbonylContact O-C 3.22Å; L299-L473 WeakPolarHBondContact O-CA 3.48Å; L299-A474 WeakPolarHBondContact O-CB 3.5Å; L299-A474 PolarHBondContact O-N 3.08Å; L299-F475 HydrophobicContact CD2-CD2 3.85Å; L299-F475 HydrophobicContact CD2-CE1 4.26Å; L299-F475 HydrophobicContact CD2-CE2 3.14Å; L299-F475 HydrophobicContact CD2-CZ 3.38Å
300	T	91.9	Very high	93.2	Very high	22 Å²	22	26.6 Å²	26.6	14%	0.135	13%	0.127	C	C	.	.	B	Isolated β-bridge	trans	-84.5	159.9	-174.6	74.2	0	0	0	0	112.8	R302 D303 E304 G470 H472	T300-R302 PolarHBondContact O-N 3.22Å; T300-D303 WeakPolarHBondContact CB-OD2 3.27Å; T300-D303 WeakPolarHBondContact CG2-OD2 3.34Å; T300-D303 PolarHBondContact N-OD2 3.07Å; T300-D303 WeakPolarHBondContact O-CB 3.27Å; T300-D303 PolarHBondContact O-N 3.28Å; T300-D303 PolarHBondContact OG1-N 3.47Å; T300-D303 PolarHBondContact OG1-OD1 3.11Å; T300-D303 PolarHBondContact OG1-OD2 3.44Å; T300-E304 PolarHBondContact O-N 3.12Å; T300-G470 VanDerWaalsContact CB-O 3.25Å; T300-G470 WeakPolarHBondContact CB-O 3.43Å; T300-G470 PolarHBondContact OG1-O 3.25Å; T300-H472 CarbonylContact C-O 3.59Å; T300-H472 WeakPolarHBondContact CA-O 2.97Å
301	V	90.6	Very high	93.3	Very high	17 Å²	17	25.1 Å²	25.1	10%	0.103	12%	0.119	C	C	.	.	H	α-helix	trans	-56.7	-37.3	175.4	174.1	0	0	0	0	111.9	S305 G470 H472 A474	V301-S305 WeakPolarHBondContact O-CB 3.47Å; V301-S305 PolarHBondContact O-N 2.91Å; V301-S305 VanDerWaalsContact O-N 3.08Å; V301-S305 PolarHBondContact O-OG 3.4Å; V301-G470 PolarHBondContact N-O 3.46Å; V301-H472 HydrophobicContact CG2-CB 4.4Å; V301-H472 PolarHBondContact N-O 2.89Å; V301-A474 HydrophobicContact CG2-CB 4.18Å
302	R	90.6	Very high	93.5	Very high	66 Å²	66	25.7 Å²	25.7	25%	0.249	12%	0.122	C	C	.	.	H	α-helix	trans	-64	-48.1	174	178.6	-174.2	63	-148.9	-9	110.8	T300 E304 S305 I306 G470	T300-R302 PolarHBondContact O-N 3.22Å; R302-E304 VanDerWaalsContact C-N 3.29Å; R302-E304 PolarHBondContact O-N 3.35Å; R302-S305 PolarHBondContact O-N 2.9Å; R302-I306 HydrophobicContact CG-CD1 3.89Å; R302-I306 WeakPolarHBondContact O-CG1 3.33Å; R302-I306 PolarHBondContact O-N 2.91Å; R302-G470 VanDerWaalsContact CB-O 3.26Å; R302-G470 WeakPolarHBondContact CB-O 3.29Å; R302-G470 PolarHBondContact N-O 3.02Å
303	D	93	Very high	93.7	Very high	14 Å²	14	22.6 Å²	22.6	8%	0.075	11%	0.11	C	C	.	.	H	α-helix	trans	-61.9	-41.9	-178.3	-56.2	-26.9	0	0	0	110.3	M295 A298 T300 S305 I306 A307 L386	M295-D303 VanDerWaalsContact CE-C 3.47Å; M295-D303 HydrophobicContact CE-CB 3.47Å; M295-D303 VanDerWaalsContact CE-CB 3.47Å; A298-D303 HydrophobicContact CB-CB 3.91Å; T300-D303 WeakPolarHBondContact CB-OD2 3.27Å; T300-D303 WeakPolarHBondContact CG2-OD2 3.34Å; T300-D303 PolarHBondContact N-OD2 3.07Å; T300-D303 WeakPolarHBondContact O-CB 3.27Å; T300-D303 PolarHBondContact O-N 3.28Å; T300-D303 PolarHBondContact OG1-N 3.47Å; T300-D303 PolarHBondContact OG1-OD1 3.11Å; T300-D303 PolarHBondContact OG1-OD2 3.44Å; D303-S305 PolarHBondContact O-N 3.12Å; D303-I306 PolarHBondContact O-N 3.08Å; D303-A307 VanDerWaalsContact O-CB 3.24Å; D303-A307 WeakPolarHBondContact O-CB 3.23Å; D303-A307 PolarHBondContact O-N 3.15Å; D303-L386 HydrophobicContact CB-CD1 3.62Å; D303-L386 WeakPolarHBondContact O-CD1 3.44Å
304	E	94.1	Very high	93.9	Very high	14 Å²	14	20.2 Å²	20.2	7%	0.065	10%	0.101	C	C	.	.	H	α-helix	trans	-62.9	-43.7	177.7	-175.2	-177.3	-130.8	0	0	111.2	R292 M295 T300 R302 I306 A307 Y308 A474	R292-E304 IonicContact CZ-OE1 2.64Å; R292-E304 VanDerWaalsContact CZ-OE1 3.25Å; R292-E304 IonicContact NE-OE1 2.72Å; R292-E304 PolarHBondContact NE-OE1 3.21Å; R292-E304 IonicContact NH2-OE1 3.25Å; R292-E304 PolarHBondContact NH2-OE1 3.44Å; M295-E304 HydrophobicContact CE-CB 3.96Å; M295-E304 HydrophobicContact SD-CB 3.97Å; M295-E304 HydrophobicContact SD-CG 4.26Å; T300-E304 PolarHBondContact O-N 3.12Å; R302-E304 VanDerWaalsContact C-N 3.29Å; R302-E304 PolarHBondContact O-N 3.35Å; E304-I306 PolarHBondContact O-N 2.89Å; E304-A307 PolarHBondContact O-N 3.1Å; E304-Y308 HydrophobicContact CG-CD2 3.73Å; E304-Y308 HydrophobicContact CG-CE2 3.25Å; E304-Y308 WeakPolarHBondContact O-CD2 3.14Å; E304-Y308 PolarHBondContact O-N 3.49Å; E304-Y308 PolarHBondContact OE1-OH 3.2Å; E304-A474 HydrophobicContact CB-CB 3.95Å; E304-A474 HydrophobicContact CG-CB 4.47Å
305	S	94.4	Very high	94	Very high	5 Å²	5	24 Å²	24	4%	0.035	12%	0.118	C	C	.	.	H	α-helix	trans	-63.5	-40.6	178.1	-59.5	0	0	0	0	112.4	V301 R302 D303 A309	V301-S305 WeakPolarHBondContact O-CB 3.47Å; V301-S305 PolarHBondContact O-N 2.91Å; V301-S305 VanDerWaalsContact O-N 3.08Å; V301-S305 PolarHBondContact O-OG 3.4Å; R302-S305 PolarHBondContact O-N 2.9Å; D303-S305 PolarHBondContact O-N 3.12Å; S305-A309 WeakPolarHBondContact O-CB 3.3Å; S305-A309 PolarHBondContact O-N 3.43Å
306	I	94.6	Very high	94.2	Very high	33 Å²	33	24.1 Å²	24.1	17%	0.169	12%	0.119	C	C	.	.	H	α-helix	trans	-67.7	-45.1	175.4	-67.1	170	0	0	0	110.2	R302 D303 E304 Y308 A309 I310 L386 I454	R302-I306 HydrophobicContact CG-CD1 3.89Å; R302-I306 WeakPolarHBondContact O-CG1 3.33Å; R302-I306 PolarHBondContact O-N 2.91Å; D303-I306 PolarHBondContact O-N 3.08Å; E304-I306 PolarHBondContact O-N 2.89Å; I306-Y308 PolarHBondContact O-N 2.72Å; I306-A309 PolarHBondContact O-N 2.85Å; I306-I310 HydrophobicContact CG2-CD1 3.66Å; I306-I310 HydrophobicContact CG2-CG1 4.36Å; I306-I310 WeakPolarHBondContact O-CG1 3.38Å; I306-I310 PolarHBondContact O-N 3.44Å; I306-L386 HydrophobicContact CG2-CD2 4Å; I306-I454 HydrophobicContact CG1-CG2 4.27Å
307	A	96.1	Very high	94.4	Very high	0 Å²	0	26.2 Å²	26.2	0%	0	13%	0.127	C	C	.	.	H	α-helix	trans	-57.8	-50	-180	0	0	0	0	0	111.4	V291 M295 D303 E304 I310 W311 L386 V390	V291-A307 HydrophobicContact CG1-CB 3.86Å; M295-A307 HydrophobicContact CB-CB 4.05Å; M295-A307 HydrophobicContact SD-CB 4.24Å; D303-A307 VanDerWaalsContact O-CB 3.24Å; D303-A307 WeakPolarHBondContact O-CB 3.23Å; D303-A307 PolarHBondContact O-N 3.15Å; E304-A307 PolarHBondContact O-N 3.1Å; A307-I310 PolarHBondContact O-N 2.95Å; A307-W311 WeakPolarHBondContact O-CB 3.31Å; A307-W311 PolarHBondContact O-N 3.34Å; A307-L386 HydrophobicContact CB-CD1 4.22Å; A307-L386 HydrophobicContact CB-CD2 3.99Å; A307-L386 HydrophobicContact CB-CG 4.28Å; A307-V390 HydrophobicContact CB-CG1 4.09Å
308	Y	97.1	Very high	94.7	Very high	9 Å²	9	23.4 Å²	23.4	4%	0.035	11%	0.109	C	C	.	.	H	α-helix	trans	-60.7	-48.3	176.5	-75.8	-53.6	0	0	0	112	L282 V287 Q288 V291 E304 I306 I310 W311 F312 I460	L282-Y308 HydrophobicContact CD1-CD1 3.83Å; L282-Y308 HydrophobicContact CD1-CD2 3.69Å; L282-Y308 HydrophobicContact CD1-CE1 4.2Å; L282-Y308 HydrophobicContact CD1-CE2 4.02Å; L282-Y308 HydrophobicContact CD1-CG 3.61Å; V287-Y308 HydrophobicContact CG1-CE1 4.31Å; Q288-Y308 WeakPolarHBondContact CA-OH 3.04Å; Q288-Y308 WeakPolarHBondContact CG-OH 3.22Å; V291-Y308 HydrophobicContact CB-CD1 4Å; V291-Y308 HydrophobicContact CB-CE1 3.64Å; V291-Y308 HydrophobicContact CG1-CD1 3.74Å; V291-Y308 HydrophobicContact CG1-CE1 3.76Å; V291-Y308 HydrophobicContact CG1-CG 4.37Å; V291-Y308 HydrophobicContact CG2-CD1 3.97Å; V291-Y308 HydrophobicContact CG2-CE1 3.9Å; E304-Y308 HydrophobicContact CG-CD2 3.73Å; E304-Y308 HydrophobicContact CG-CE2 3.25Å; E304-Y308 WeakPolarHBondContact O-CD2 3.14Å; E304-Y308 PolarHBondContact O-N 3.49Å; E304-Y308 PolarHBondContact OE1-OH 3.2Å; I306-Y308 PolarHBondContact O-N 2.72Å; Y308-I310 VanDerWaalsContact C-N 3.29Å; Y308-I310 PolarHBondContact O-N 3.29Å; Y308-W311 PolarHBondContact O-N 2.67Å; Y308-F312 HydrophobicContact CD1-CE2 4.06Å; Y308-F312 WeakPolarHBondContact O-CB 3.14Å; Y308-F312 VanDerWaalsContact O-CD2 3.28Å; Y308-F312 WeakPolarHBondContact O-CD2 3.46Å; Y308-F312 PolarHBondContact O-N 2.84Å; Y308-I460 HydrophobicContact CD2-CD1 4.03Å; Y308-I460 HydrophobicContact CG-CD1 4.11Å
309	A	96.8	Very high	94.8	Very high	0 Å²	0	22.9 Å²	22.9	0%	0	10%	0.104	C	C	.	.	H	α-helix	trans	-57.5	-44.6	-178.9	0	0	0	0	0	111.8	F236 S305 I306 A313 I454	F236-A309 HydrophobicContact CE2-CB 4.05Å; F236-A309 HydrophobicContact CZ-CB 4.4Å; S305-A309 WeakPolarHBondContact O-CB 3.3Å; S305-A309 PolarHBondContact O-N 3.43Å; I306-A309 PolarHBondContact O-N 2.85Å; A309-A313 WeakPolarHBondContact O-CB 3.48Å; A309-A313 PolarHBondContact O-N 3.35Å; A309-A313 VanDerWaalsContact O-N 3.15Å; A309-I454 HydrophobicContact CB-CD1 3.88Å; A309-I454 HydrophobicContact CB-CG1 3.94Å; A309-I454 HydrophobicContact CB-CG2 4.47Å
310	I	97.6	Very high	94.8	Very high	6 Å²	6	23.3 Å²	23.3	3%	0.031	10%	0.103	C	C	.	.	H	α-helix	trans	-73.8	-43.1	179.6	-63.9	177.7	0	0	0	111.3	L205 I306 A307 Y308 A313 S314 C387 V390 I391 I454	L205-I310 HydrophobicContact CD1-CG2 4.31Å; I306-I310 HydrophobicContact CG2-CD1 3.66Å; I306-I310 HydrophobicContact CG2-CG1 4.36Å; I306-I310 WeakPolarHBondContact O-CG1 3.38Å; I306-I310 PolarHBondContact O-N 3.44Å; A307-I310 PolarHBondContact O-N 2.95Å; Y308-I310 VanDerWaalsContact C-N 3.29Å; Y308-I310 PolarHBondContact O-N 3.29Å; I310-A313 PolarHBondContact O-N 3.15Å; I310-S314 VanDerWaalsContact O-CB 3.25Å; I310-S314 WeakPolarHBondContact O-CB 3.48Å; I310-S314 PolarHBondContact O-N 2.89Å; I310-S314 PolarHBondContact O-OG 2.73Å; I310-C387 HydrophobicContact CD1-CB 4.15Å; I310-C387 WeakPolarHBondContact CD1-SG 3.46Å; I310-V390 HydrophobicContact CB-CG2 3.92Å; I310-V390 HydrophobicContact CG2-CG2 3.58Å; I310-I391 HydrophobicContact CG2-CD1 3.78Å; I310-I391 HydrophobicContact CG2-CG1 3.49Å; I310-I391 VanDerWaalsContact CG2-CG1 3.49Å; I310-I454 HydrophobicContact CG1-CD1 4.03Å
311	W	97.9	Very high	94.9	Very high	16 Å²	16	25.6 Å²	25.6	6%	0.061	11%	0.109	C	C	.	.	H	α-helix	trans	-62.2	-45.9	-179	-173.3	82.2	0	0	0	111.6	V287 H290 V291 A307 Y308 S314 K315 V390 D393 H394	V287-W311 HydrophobicContact CG1-CE3 4.42Å; V287-W311 HydrophobicContact CG1-CH2 4.32Å; V287-W311 HydrophobicContact CG1-CZ3 3.83Å; V287-W311 HydrophobicContact CG2-CH2 4.46Å; V287-W311 HydrophobicContact CG2-CZ3 4.5Å; H290-W311 AromaticContact CD2-CZ2 3.76Å; H290-W311 AromaticContact CD2-NE1 3.95Å; V291-W311 HydrophobicContact CG2-CB 4.28Å; V291-W311 HydrophobicContact CG2-CD2 3.62Å; V291-W311 HydrophobicContact CG2-CE3 3.85Å; V291-W311 HydrophobicContact CG2-CG 3.81Å; V291-W311 HydrophobicContact CG2-CZ3 4.43Å; A307-W311 WeakPolarHBondContact O-CB 3.31Å; A307-W311 PolarHBondContact O-N 3.34Å; Y308-W311 PolarHBondContact O-N 2.67Å; W311-S314 PolarHBondContact O-OG 2.75Å; W311-K315 PolarHBondContact O-N 3.17Å; W311-K315 VanDerWaalsContact O-N 3.12Å; W311-V390 HydrophobicContact CB-CB 4.02Å; W311-V390 HydrophobicContact CG-CB 4.47Å; W311-D393 PolarHBondContact NE1-OD2 2.98Å; W311-H394 AromaticContact CD1-NE2 3.34Å; W311-H394 VanDerWaalsContact CD1-NE2 3.34Å; W311-H394 AromaticContact CD2-NE2 3.74Å; W311-H394 AromaticContact CE2-CE1 3.61Å; W311-H394 AromaticContact CE2-NE2 3.5Å; W311-H394 AromaticContact CG-NE2 3.68Å; W311-H394 AromaticContact CZ2-CE1 3.87Å; W311-H394 AromaticContact NE1-CE1 3.56Å; W311-H394 AromaticContact NE1-NE2 3.22Å; W311-H394 PolarHBondContact NE1-NE2 2.95Å; W311-H394 PolarHBondContact O-NE2 2.76Å
312	F	97.8	Very high	94.7	Very high	13 Å²	13	28.9 Å²	28.9	6%	0.057	12%	0.123	C	C	.	.	H	α-helix	trans	-66.2	-44	176.1	-82.1	-72.6	0	0	0	111.9	V234 F236 V275 V277 E281 L282 V287 Y308 K315	V234-F312 HydrophobicContact CG2-CB 4.3Å; F236-F312 HydrophobicContact CE1-CD2 4.03Å; F236-F312 HydrophobicContact CE1-CE2 4.38Å; F236-F312 HydrophobicContact CZ-CD2 4.08Å; V275-F312 WeakPolarHBondContact CG1-O 3.37Å; V277-F312 HydrophobicContact CB-CD1 4.45Å; V277-F312 HydrophobicContact CB-CG 4.41Å; V277-F312 HydrophobicContact CG1-CD1 3.87Å; V277-F312 HydrophobicContact CG1-CD2 3.88Å; V277-F312 HydrophobicContact CG1-CE1 3.71Å; V277-F312 HydrophobicContact CG1-CE2 3.74Å; V277-F312 HydrophobicContact CG1-CG 3.95Å; V277-F312 HydrophobicContact CG1-CZ 3.64Å; V277-F312 HydrophobicContact CG2-CB 3.54Å; V277-F312 HydrophobicContact CG2-CD1 3.68Å; V277-F312 HydrophobicContact CG2-CD2 4.13Å; V277-F312 HydrophobicContact CG2-CE1 4.36Å; V277-F312 HydrophobicContact CG2-CG 3.53Å; E281-F312 HydrophobicContact CB-CE1 4.28Å; E281-F312 HydrophobicContact CB-CZ 4.36Å; L282-F312 HydrophobicContact CD1-CE2 4.14Å; V287-F312 HydrophobicContact CG1-CE2 4.15Å; V287-F312 HydrophobicContact CG1-CZ 3.76Å; Y308-F312 HydrophobicContact CD1-CE2 4.06Å; Y308-F312 WeakPolarHBondContact O-CB 3.14Å; Y308-F312 VanDerWaalsContact O-CD2 3.28Å; Y308-F312 WeakPolarHBondContact O-CD2 3.46Å; Y308-F312 PolarHBondContact O-N 2.84Å; F312-K315 WeakPolarHBondContact O-CB 3.11Å; F312-K315 PolarHBondContact O-N 3.16Å
313	A	97.7	Very high	94.4	Very high	0 Å²	0	27.2 Å²	27.2	0%	0	12%	0.121	C	C	.	.	H	α-helix	trans	-59.9	-50.1	177.9	0	0	0	0	0	112.1	L205 L232 V234 A309 I310 K315 G316	L205-A313 HydrophobicContact CD1-CB 3.55Å; L205-A313 HydrophobicContact CG-CB 4.27Å; L232-A313 WeakPolarHBondContact CD1-O 3.27Å; V234-A313 HydrophobicContact CB-CB 3.82Å; V234-A313 HydrophobicContact CG1-CB 3.96Å; A309-A313 WeakPolarHBondContact O-CB 3.48Å; A309-A313 PolarHBondContact O-N 3.35Å; A309-A313 VanDerWaalsContact O-N 3.15Å; I310-A313 PolarHBondContact O-N 3.15Å; A313-K315 VanDerWaalsContact C-N 3.26Å; A313-K315 PolarHBondContact O-N 2.96Å; A313-G316 PolarHBondContact O-N 3.14Å
314	S	97.7	Very high	93.8	Very high	3 Å²	3	29.2 Å²	29.2	2%	0.021	13%	0.134	C	C	.	.	H	α-helix	trans	-72	-16.7	-175.9	59.4	0	0	0	0	113.6	I310 W311 G316 H394 L396	I310-S314 VanDerWaalsContact O-CB 3.25Å; I310-S314 WeakPolarHBondContact O-CB 3.48Å; I310-S314 PolarHBondContact O-N 2.89Å; I310-S314 PolarHBondContact O-OG 2.73Å; W311-S314 PolarHBondContact O-OG 2.75Å; S314-G316 PolarHBondContact O-N 2.97Å; S314-G316 VanDerWaalsContact O-N 3.12Å; S314-H394 PolarHBondContact OG-CD2 2.92Å; S314-H394 VanDerWaalsContact OG-CD2 3.28Å; S314-L396 WeakPolarHBondContact O-CD1 3.42Å
315	K	96.5	Very high	92.8	Very high	80 Å²	80	34.3 Å²	34.3	35%	0.348	17%	0.171	S	C	.	.	T	Hydrogen-bonded Turn	trans	-57.3	-21.8	165.8	-167.9	172.4	-176.7	173.7	0	112.7	W311 F312 A313 R317 H334 H394	W311-K315 PolarHBondContact O-N 3.17Å; W311-K315 VanDerWaalsContact O-N 3.12Å; F312-K315 WeakPolarHBondContact O-CB 3.11Å; F312-K315 PolarHBondContact O-N 3.16Å; A313-K315 VanDerWaalsContact C-N 3.26Å; A313-K315 PolarHBondContact O-N 2.96Å; K315-R317 PolarHBondContact O-N 3.46Å; K315-R317 VanDerWaalsContact O-N 3.11Å; K315-H334 PolarHBondContact O-NE2 3.37Å; K315-H394 PolarHBondContact N-CD2 3.43Å
316	G	95.1	Very high	91.3	Very high	2 Å²	2	41 Å²	41	2%	0.021	21%	0.205	C	C	.	.			trans	66.8	16.6	170.4	0	0	0	0	0	114.8	A313 S314 H334 S335	A313-G316 PolarHBondContact O-N 3.14Å; S314-G316 PolarHBondContact O-N 2.97Å; S314-G316 VanDerWaalsContact O-N 3.12Å; G316-H334 CarbonylContact O-C 3.53Å; G316-H334 WeakPolarHBondContact O-CA 3.3Å; G316-S335 PolarHBondContact O-N 3.24Å
317	R	94.5	Very high	89.7	Confident	125 Å²	125	40.7 Å²	40.7	47%	0.472	21%	0.205	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.8	114.7	179.3	-171.3	177	-179.5	-178.2	-1.7	110.3	K315 R332 I333	K315-R317 PolarHBondContact O-N 3.46Å; K315-R317 VanDerWaalsContact O-N 3.11Å; R317-R332 HydrophobicContact CG-CB 4.08Å; R317-I333 WeakPolarHBondContact CA-O 3.28Å
318	G	93.2	Very high	88	Confident	4 Å²	4	46.8 Å²	46.8	4%	0.041	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-162.9	-172	-177	0	0	0	0	0	112.8	L274 R332 I333	L274-G318 CarbonylContact O-C 3.53Å; L274-G318 WeakPolarHBondContact O-CA 3.32Å; G318-R332 CarbonylContact O-C 3.54Å; G318-R332 WeakPolarHBondContact O-CA 3.25Å; G318-I333 PolarHBondContact N-O 3.23Å; G318-I333 PolarHBondContact O-N 3.38Å; G318-I333 VanDerWaalsContact O-O 3.13Å
319	I	91.7	Very high	86.2	Confident	7 Å²	7	46.8 Å²	46.8	4%	0.036	24%	0.241	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.1	134.6	175.5	-60.5	161.7	0	0	0	108.2	H242 L274 Y321 V324	H242-I319 WeakPolarHBondContact CE1-CD1 3.29Å; L274-I319 VanDerWaalsContact CB-O 3.31Å; L274-I319 WeakPolarHBondContact CB-O 3.25Å; L274-I319 WeakPolarHBondContact CG-O 3.2Å; L274-I319 PolarHBondContact N-O 2.79Å; L274-I319 PolarHBondContact O-N 2.71Å; I319-Y321 PolarHBondContact O-N 2.87Å; I319-V324 HydrophobicContact CG2-CG2 3.76Å
320	R	92.3	Very high	84.5	Confident	53 Å²	53	54.1 Å²	54.1	20%	0.2	27%	0.272	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-67.7	126.7	172.3	-178.7	-177.4	-74.5	129	-1.1	108.6	N271 L273 E322 T323 V324 I333	N271-R320 PolarHBondContact OD1-NE 2.79Å; N271-R320 PolarHBondContact OD1-NH2 3.44Å; L273-R320 HydrophobicContact CD2-CB 4.24Å; R320-E322 PolarHBondContact O-N 2.83Å; R320-E322 VanDerWaalsContact O-N 3.07Å; R320-T323 PolarHBondContact O-N 3.43Å; R320-T323 PolarHBondContact O-OG1 2.91Å; R320-V324 PolarHBondContact O-N 2.91Å; R320-I333 HydrophobicContact CB-CD1 3.82Å
321	Y	92.6	Very high	83.3	Confident	70 Å²	70	58.6 Å²	58.6	28%	0.275	30%	0.297	S	S	.	.	G	3₁₀ helix	trans	-51.1	-38.6	-175.4	173	-97.9	0	0	0	113.5	I255 Y258 M259 L272 L274 I319 T323 V324	I255-Y321 HydrophobicContact CB-CE2 4.45Å; I255-Y321 HydrophobicContact CD1-CD2 4.14Å; I255-Y321 HydrophobicContact CD1-CE2 3.71Å; I255-Y321 HydrophobicContact CG1-CD2 3.94Å; I255-Y321 HydrophobicContact CG1-CE2 3.74Å; I255-Y321 HydrophobicContact CG2-CE1 4.47Å; I255-Y321 HydrophobicContact CG2-CE2 3.82Å; Y258-Y321 HydrophobicContact CD1-CD1 4.08Å; Y258-Y321 AromaticContact CE1-CD1 3.71Å; Y258-Y321 HydrophobicContact CE1-CD1 3.71Å; Y258-Y321 HydrophobicContact CE1-CE1 4.31Å; M259-Y321 HydrophobicContact CE-CD1 4.43Å; M259-Y321 HydrophobicContact CE-CE1 3.38Å; L272-Y321 HydrophobicContact CD2-CD2 4.22Å; L272-Y321 HydrophobicContact CD2-CG 3.99Å; L272-Y321 PolarHBondContact O-N 3.39Å; L274-Y321 HydrophobicContact CD1-CD2 4.1Å; L274-Y321 HydrophobicContact CD2-CD2 4.37Å; I319-Y321 PolarHBondContact O-N 2.87Å; Y321-T323 VanDerWaalsContact C-N 3.28Å; Y321-T323 PolarHBondContact O-N 3.24Å; Y321-V324 WeakPolarHBondContact O-CB 3.22Å; Y321-V324 VanDerWaalsContact O-CG2 3.25Å; Y321-V324 WeakPolarHBondContact O-CG2 3.36Å; Y321-V324 PolarHBondContact O-N 3.02Å
322	E	87.3	Confident	82.7	Confident	86 Å²	86	62 Å²	62	40%	0.402	31%	0.309	S	S	.	.	G	3₁₀ helix	trans	-70.3	-21.8	-178.7	-58	-172.2	157.7	0	0	114	Y258 K262 R320	Y258-E322 VanDerWaalsContact OH-CD 3.22Å; Y258-E322 WeakPolarHBondContact OH-CG 3.45Å; Y258-E322 PolarHBondContact OH-OE1 3.42Å; K262-E322 IonicContact NZ-OE1 3.06Å; K262-E322 PolarHBondContact NZ-OE1 3.23Å; R320-E322 PolarHBondContact O-N 2.83Å; R320-E322 VanDerWaalsContact O-N 3.07Å
323	T	84.8	Confident	82.4	Confident	32 Å²	32	62 Å²	62	20%	0.196	31%	0.309	C	S	.	.	G	3₁₀ helix	trans	-101.1	2.8	-179.2	64.1	0	0	0	0	112.7	R320 Y321 S325 L326 T327	R320-T323 PolarHBondContact O-N 3.43Å; R320-T323 PolarHBondContact O-OG1 2.91Å; Y321-T323 VanDerWaalsContact C-N 3.28Å; Y321-T323 PolarHBondContact O-N 3.24Å; T323-S325 VanDerWaalsContact C-N 3.27Å; T323-S325 PolarHBondContact O-N 2.78Å; T323-L326 PolarHBondContact O-N 3.06Å; T323-T327 PolarHBondContact O-N 3.05Å; T323-T327 VanDerWaalsContact O-N 3.16Å; T323-T327 PolarHBondContact O-OG1 2.87Å
324	V	79.1	Confident	82.3	Confident	56 Å²	56	65.5 Å²	65.5	34%	0.339	33%	0.326	S	S	.	.	T	Hydrogen-bonded Turn	trans	-58	-40.7	-178.9	174.5	0	0	0	0	111.3	L274 I319 R320 Y321 L326	L274-V324 HydrophobicContact CD1-CG2 3.56Å; I319-V324 HydrophobicContact CG2-CG2 3.76Å; R320-V324 PolarHBondContact O-N 2.91Å; Y321-V324 WeakPolarHBondContact O-CB 3.22Å; Y321-V324 VanDerWaalsContact O-CG2 3.25Å; Y321-V324 WeakPolarHBondContact O-CG2 3.36Å; Y321-V324 PolarHBondContact O-N 3.02Å; V324-L326 VanDerWaalsContact C-N 3.27Å; V324-L326 PolarHBondContact O-N 2.74Å
325	S	73.2	Confident	82.1	Confident	121 Å²	121	65.7 Å²	65.7	85%	0.846	33%	0.327	S	S	*	.	T	Hydrogen-bonded Turn	trans	-76.5	-13.3	179.4	-51	0	0	0	0	114	T323	T323-S325 VanDerWaalsContact C-N 3.27Å; T323-S325 PolarHBondContact O-N 2.78Å
326	L	62.9	Low	82	Confident	144 Å²	144	62.1 Å²	62.1	75%	0.754	31%	0.312	S	S	*	.	T	Hydrogen-bonded Turn	trans	-102.4	-15.9	-173.3	-61.8	176.2	0	0	0	113	T323 V324	T323-L326 PolarHBondContact O-N 3.06Å; V324-L326 VanDerWaalsContact C-N 3.27Å; V324-L326 PolarHBondContact O-N 2.74Å
327	T	61.1	Low	81.9	Confident	27 Å²	27	62.2 Å²	62.2	17%	0.166	31%	0.313	C	S	.	.	S	Bend	trans	-122.5	143.7	-172.3	59.5	0	0	0	0	108.8	T323 G329 D331	T323-T327 PolarHBondContact O-N 3.05Å; T323-T327 VanDerWaalsContact O-N 3.16Å; T323-T327 PolarHBondContact O-OG1 2.87Å; T327-G329 PolarHBondContact O-N 2.92Å; T327-D331 HydrophobicContact CG2-CB 3.99Å; T327-D331 VanDerWaalsContact CG2-OD2 3.23Å; T327-D331 WeakPolarHBondContact CG2-OD2 3.23Å
328	D	61.3	Low	81.8	Confident	128 Å²	128	60.7 Å²	60.7	68%	0.684	31%	0.307	S	S	*	.			trans	-71.4	30.5	175.7	-166	32.5	0	0	0	111.8	K330	D328-K330 HydrophobicContact CB-CD 4.38Å; D328-K330 PolarHBondContact O-N 3.24Å; D328-K330 VanDerWaalsContact O-N 3.08Å; D328-K330 WeakPolarHBondContact OD2-CE 3.43Å; D328-K330 IonicContact OD2-NZ 3.38Å; D328-K330 PolarHBondContact OD2-NZ 3.14Å
329	G	59.7	Low	81.9	Confident	10 Å²	10	60.8 Å²	60.8	10%	0.103	31%	0.307	C	S	.	.	S	Bend	trans	67	0.4	-170.7	0	0	0	0	0	115.3	T327	T327-G329 PolarHBondContact O-N 2.92Å
330	K	61.3	Low	82.2	Confident	153 Å²	153	60.5 Å²	60.5	67%	0.665	31%	0.305	S	S	*	.			trans	-80.8	-27.8	-172.4	-73.8	172.8	179.9	146.4	0	113.9	D328 R332	D328-K330 HydrophobicContact CB-CD 4.38Å; D328-K330 PolarHBondContact O-N 3.24Å; D328-K330 VanDerWaalsContact O-N 3.08Å; D328-K330 WeakPolarHBondContact OD2-CE 3.43Å; D328-K330 IonicContact OD2-NZ 3.38Å; D328-K330 PolarHBondContact OD2-NZ 3.14Å; K330-R332 VanDerWaalsContact C-N 3.29Å; K330-R332 PolarHBondContact O-N 2.96Å
331	D	72.3	Confident	82.5	Confident	101 Å²	101	58 Å²	58	54%	0.54	30%	0.296	S	S	.	.			trans	-83	76.3	-175.8	-61.8	-23.2	0	0	0	110.7	T327 I333	T327-D331 HydrophobicContact CG2-CB 3.99Å; T327-D331 VanDerWaalsContact CG2-OD2 3.23Å; T327-D331 WeakPolarHBondContact CG2-OD2 3.23Å; D331-I333 PolarHBondContact O-N 3.48Å
332	R	85.4	Confident	82.7	Confident	87 Å²	87	55 Å²	55	33%	0.328	29%	0.285	S	S	.	.			trans	-72.4	117.4	173.6	-68.4	-173.8	173.9	-164.3	-4.1	109.2	E281 R317 G318 K330	E281-R332 IonicContact OE1-CZ 2.69Å; E281-R332 IonicContact OE1-NH1 3.13Å; E281-R332 PolarHBondContact OE1-NH1 2.67Å; E281-R332 IonicContact OE1-NH2 3.84Å; E281-R332 PolarHBondContact OE1-NH2 3.41Å; R317-R332 HydrophobicContact CG-CB 4.08Å; G318-R332 CarbonylContact O-C 3.54Å; G318-R332 WeakPolarHBondContact O-CA 3.25Å; K330-R332 VanDerWaalsContact C-N 3.29Å; K330-R332 PolarHBondContact O-N 2.96Å
333	I	91	Very high	83.2	Confident	12 Å²	12	51.5 Å²	51.5	6%	0.062	27%	0.272	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.6	144.2	172.9	-64.1	167.2	0	0	0	109	E196 T198 R317 G318 R320 D331	E196-I333 CarbonylContact O-C 3.58Å; E196-I333 WeakPolarHBondContact O-CA 3.49Å; T198-I333 HydrophobicContact CG2-CG2 3.63Å; R317-I333 WeakPolarHBondContact CA-O 3.28Å; G318-I333 PolarHBondContact N-O 3.23Å; G318-I333 PolarHBondContact O-N 3.38Å; G318-I333 VanDerWaalsContact O-O 3.13Å; R320-I333 HydrophobicContact CB-CD1 3.82Å; D331-I333 PolarHBondContact O-N 3.48Å
334	H	94.3	Very high	83.7	Confident	75 Å²	75	51.4 Å²	51.4	35%	0.347	27%	0.272	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.8	132.9	175.3	-169.9	-88.4	0	0	0	111.1	E196 T197 T198 K315 G316 S336	E196-H334 PolarHBondContact O-N 2.63Å; T197-H334 CarbonylContact C-O 3.58Å; T197-H334 WeakPolarHBondContact CA-O 3.48Å; T197-H334 HydrophobicContact CG2-CB 4.29Å; T198-H334 PolarHBondContact N-O 3.45Å; K315-H334 PolarHBondContact O-NE2 3.37Å; G316-H334 CarbonylContact O-C 3.53Å; G316-H334 WeakPolarHBondContact O-CA 3.3Å; H334-S336 PolarHBondContact O-N 2.99Å
335	S	94.9	Very high	84.5	Confident	6 Å²	6	48.8 Å²	48.8	4%	0.042	26%	0.256	C	S	.	.			trans	-64.8	130.1	172.6	-175.6	0	0	0	0	110.6	T198 D230 G316 A337	T198-S335 WeakPolarHBondContact OG1-CA 3.48Å; D230-S335 WeakPolarHBondContact OD2-CA 3.3Å; D230-S335 WeakPolarHBondContact OD2-CB 3.15Å; D230-S335 PolarHBondContact OD2-OG 3.11Å; G316-S335 PolarHBondContact O-N 3.24Å; S335-A337 VanDerWaalsContact C-N 3.26Å; S335-A337 WeakPolarHBondContact OG-CB 3.33Å; S335-A337 PolarHBondContact OG-N 2.96Å
336	S	93.5	Very high	85.7	Confident	6 Å²	6	43 Å²	43	4%	0.042	22%	0.216	C	C	.	.			trans	-82.8	-5.4	170.8	60.3	0	0	0	0	113.3	T198 A200 H334	T198-S336 VanDerWaalsContact O-CB 3.32Å; T198-S336 WeakPolarHBondContact O-CB 3.49Å; T198-S336 PolarHBondContact O-OG 3.18Å; T198-S336 PolarHBondContact OG1-N 3.33Å; T198-S336 VanDerWaalsContact OG1-N 3.13Å; A200-S336 PolarHBondContact N-OG 2.95Å; A200-S336 CarbonylContact O-C 3.58Å; A200-S336 VanDerWaalsContact O-C 3.23Å; A200-S336 PolarHBondContact O-OG 3.27Å; H334-S336 PolarHBondContact O-N 2.99Å
337	A	93.6	Very high	87.3	Confident	3 Å²	3	36.6 Å²	36.6	3%	0.025	18%	0.182	C	C	.	.			trans	-61.1	144	-172.2	0	0	0	0	0	111.5	A200 T201 S335 L396	A200-A337 WeakPolarHBondContact O-CA 3.37Å; A200-A337 PolarHBondContact O-N 2.78Å; T201-A337 WeakPolarHBondContact O-CA 3.4Å; S335-A337 VanDerWaalsContact C-N 3.26Å; S335-A337 WeakPolarHBondContact OG-CB 3.33Å; S335-A337 PolarHBondContact OG-N 2.96Å; A337-L396 WeakPolarHBondContact O-CD2 3.31Å
338	R	93.2	Very high	89	Confident	93 Å²	93	36 Å²	36	35%	0.351	18%	0.177	S	C	.	.	S	Bend	trans	-113.1	-6.4	174.1	-62.9	-59.3	-179.8	-157.7	-5.4	113	T201 L396 L397	T201-R338 PolarHBondContact O-N 2.91Å; T201-R338 VanDerWaalsContact O-N 3.12Å; R338-L396 WeakPolarHBondContact O-CA 3.15Å; R338-L397 PolarHBondContact O-N 3.41Å
339	V	94.9	Very high	90.7	Very high	7 Å²	7	29.9 Å²	29.9	4%	0.042	15%	0.145	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.8	134.2	178.1	178.6	0	0	0	0	108.5	L184 T201 I202 S203 F341 L399	L184-V339 HydrophobicContact CD1-CG1 4.35Å; L184-V339 HydrophobicContact CD1-CG2 3.74Å; L184-V339 HydrophobicContact CD2-CG2 3.75Å; L184-V339 HydrophobicContact CG-CG2 4.39Å; T201-V339 PolarHBondContact O-N 3Å; I202-V339 HydrophobicContact CG1-CB 4.47Å; S203-V339 PolarHBondContact N-O 3.46Å; S203-V339 PolarHBondContact OG-O 2.96Å; V339-F341 HydrophobicContact CG1-CD2 4.45Å; V339-F341 HydrophobicContact CG1-CE2 4.13Å; V339-L399 HydrophobicContact CG1-CD1 3.32Å; V339-L399 HydrophobicContact CG1-CG 3.87Å
340	L	97.5	Very high	92.5	Very high	0 Å²	0	29.4 Å²	29.4	0%	0	14%	0.14	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.5	118.7	178.7	-177.4	141.4	0	0	0	110.4	S203 L205 L232 L342 I391 L396 L397 V398 L399	S203-L340 CarbonylContact O-C 3.56Å; S203-L340 WeakPolarHBondContact O-CA 3.24Å; S203-L340 WeakPolarHBondContact OG-CA 3.39Å; S203-L340 WeakPolarHBondContact OG-CB 3.44Å; L205-L340 HydrophobicContact CB-CD1 4.46Å; L205-L340 HydrophobicContact CB-CD2 4.18Å; L232-L340 HydrophobicContact CD1-CD1 3.9Å; L340-L342 HydrophobicContact CD2-CB 4.31Å; L340-I391 HydrophobicContact CD2-CD1 3.97Å; L340-I391 HydrophobicContact CD2-CG2 4.46Å; L340-L396 HydrophobicContact CB-CB 4.44Å; L340-L396 HydrophobicContact CB-CD1 4.28Å; L340-L396 HydrophobicContact CD1-CD1 3.86Å; L340-L397 PolarHBondContact N-O 3.27Å; L340-V398 HydrophobicContact CD2-CG2 4.24Å; L340-V398 CarbonylContact O-C 3.59Å; L340-V398 VanDerWaalsContact O-CA 3.3Å; L340-V398 WeakPolarHBondContact O-CA 3.15Å; L340-L399 PolarHBondContact O-N 2.87Å
341	F	98.2	Very high	94.2	Very high	0 Å²	0	22.1 Å²	22.1	0%	0	11%	0.109	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.9	135.9	170.5	-77.1	-88.6	0	0	0	110.9	I177 L181 I202 S203 V204 L205 V215 L219 V339 L399 P401	I177-F341 HydrophobicContact CG1-CE1 4.42Å; I177-F341 HydrophobicContact CG2-CE1 4.05Å; I177-F341 HydrophobicContact CG2-CZ 4.02Å; L181-F341 HydrophobicContact CD2-CE2 3.86Å; L181-F341 HydrophobicContact CD2-CZ 3.75Å; L181-F341 HydrophobicContact CG-CZ 4.02Å; I202-F341 HydrophobicContact CG2-CD2 3.65Å; I202-F341 HydrophobicContact CG2-CE2 3.71Å; S203-F341 PolarHBondContact O-N 3.07Å; V204-F341 HydrophobicContact CG1-CB 4.34Å; V204-F341 HydrophobicContact CG2-CB 4.23Å; L205-F341 PolarHBondContact N-O 3.27Å; V215-F341 HydrophobicContact CG1-CB 3.93Å; V215-F341 HydrophobicContact CG1-CD1 4.22Å; V215-F341 HydrophobicContact CG1-CG 4.31Å; L219-F341 HydrophobicContact CD1-CD2 4.5Å; L219-F341 HydrophobicContact CD1-CE2 3.92Å; L219-F341 HydrophobicContact CD1-CZ 4.15Å; L219-F341 HydrophobicContact CD2-CD2 4.12Å; L219-F341 HydrophobicContact CD2-CE2 4.31Å; V339-F341 HydrophobicContact CG1-CD2 4.45Å; V339-F341 HydrophobicContact CG1-CE2 4.13Å; F341-L399 HydrophobicContact CD1-CB 3.82Å; F341-L399 HydrophobicContact CE1-CB 3.82Å; F341-L399 HydrophobicContact CE1-CD1 3.85Å; F341-L399 HydrophobicContact CE2-CD1 3.88Å; F341-L399 HydrophobicContact CG-CB 4.3Å; F341-L399 HydrophobicContact CZ-CB 4.29Å; F341-L399 HydrophobicContact CZ-CD1 3.5Å; F341-L399 VanDerWaalsContact CZ-CD1 3.5Å; F341-P401 HydrophobicContact CD1-CG 3.47Å; F341-P401 VanDerWaalsContact CD1-CG 3.47Å; F341-P401 HydrophobicContact CE1-CG 3.78Å
342	L	97.4	Very high	95.3	Very high	9 Å²	9	17.7 Å²	17.7	5%	0.047	9%	0.086	C	C	.	.			trans	-125.2	135.8	176.6	-173.9	66	0	0	0	110.5	L205 L340 S344 C387 I391 V398 L399 L400	L205-L342 HydrophobicContact CB-CD1 3.89Å; L205-L342 HydrophobicContact CD2-CD1 3.67Å; L205-L342 HydrophobicContact CG-CD1 4.22Å; L340-L342 HydrophobicContact CD2-CB 4.31Å; L342-S344 VanDerWaalsContact CD2-OG 3.23Å; L342-S344 WeakPolarHBondContact CD2-OG 3.44Å; L342-S344 WeakPolarHBondContact CG-OG 3.35Å; L342-S344 PolarHBondContact O-N 3.17Å; L342-C387 HydrophobicContact CD2-CB 4.31Å; L342-I391 HydrophobicContact CD2-CD1 4.38Å; L342-V398 HydrophobicContact CB-CG2 3.94Å; L342-V398 HydrophobicContact CD2-CG2 4.36Å; L342-L399 PolarHBondContact N-O 3.33Å; L342-L400 HydrophobicContact CB-CD2 3.85Å; L342-L400 HydrophobicContact CD2-CD2 4.1Å; L342-L400 HydrophobicContact CG-CD2 4.22Å
343	G	97.1	Very high	95.8	Very high	12 Å²	12	16.7 Å²	16.7	12%	0.124	8%	0.083	C	C	.	.			trans	-79.9	17.6	178.8	0	0	0	0	0	115.1
344	S	96	Very high	95.9	Very high	30 Å²	30	20.7 Å²	20.7	21%	0.21	10%	0.103	C	C	.	.	T	Hydrogen-bonded Turn	trans	-70.2	149.2	-179.1	-68.8	0	0	0	0	112	L342	L342-S344 VanDerWaalsContact CD2-OG 3.23Å; L342-S344 WeakPolarHBondContact CD2-OG 3.44Å; L342-S344 WeakPolarHBondContact CG-OG 3.35Å; L342-S344 PolarHBondContact O-N 3.17Å
345	G	96	Very high	95.9	Very high	0 Å²	0	22.4 Å²	22.4	0%	0	11%	0.106	C	C	.	.	T	Hydrogen-bonded Turn	trans	95.4	-23.1	-174.2	0	0	0	0	0	113.8	D347 E348 L349	G345-D347 VanDerWaalsContact C-N 3.28Å; G345-D347 PolarHBondContact O-N 3.19Å; G345-E348 WeakPolarHBondContact CA-OE2 3.35Å; G345-E348 PolarHBondContact N-OE2 3.2Å; G345-E348 PolarHBondContact O-N 3.49Å; G345-L349 WeakPolarHBondContact O-CB 3.23Å; G345-L349 WeakPolarHBondContact O-CD1 3.23Å; G345-L349 VanDerWaalsContact O-CG 3.25Å; G345-L349 WeakPolarHBondContact O-CG 3.45Å; G345-L349 PolarHBondContact O-N 2.76Å
346	A	97.6	Very high	96	Very high	0 Å²	0	22.1 Å²	22.1	0%	0	10%	0.104	C	C	.	.	H	α-helix	trans	-64.2	-32.5	179.2	0	0	0	0	0	113	D211 F350 Y402 L434	D211-A346 HydrophobicContact CB-CB 3.95Å; D211-A346 VanDerWaalsContact OD1-CB 3.31Å; D211-A346 WeakPolarHBondContact OD1-CB 3.35Å; A346-F350 WeakPolarHBondContact O-CB 3.46Å; A346-F350 WeakPolarHBondContact O-CD2 3.37Å; A346-F350 PolarHBondContact O-N 2.77Å; A346-Y402 HydrophobicContact CB-CD1 4Å; A346-Y402 HydrophobicContact CB-CD2 3.84Å; A346-Y402 HydrophobicContact CB-CE1 3.99Å; A346-Y402 HydrophobicContact CB-CE2 3.82Å; A346-Y402 HydrophobicContact CB-CG 3.92Å; A346-L434 HydrophobicContact CB-CD1 4.26Å
347	D	96.9	Very high	96.1	Very high	9 Å²	9	23.5 Å²	23.5	5%	0.048	11%	0.108	C	C	.	.	H	α-helix	trans	-69.3	-44.6	179.5	-77.3	-51.7	0	0	0	112.7	G345 L349 A351 G352 Y353 H356 K431 K451	G345-D347 VanDerWaalsContact C-N 3.28Å; G345-D347 PolarHBondContact O-N 3.19Å; D347-L349 VanDerWaalsContact C-N 3.34Å; D347-A351 WeakPolarHBondContact O-CA 3.39Å; D347-A351 PolarHBondContact O-N 3.04Å; D347-G352 PolarHBondContact O-N 2.79Å; D347-G352 WeakPolarHBondContact OD1-CA 3.49Å; D347-Y353 HydrophobicContact CB-CD1 4.15Å; D347-Y353 HydrophobicContact CB-CD2 4Å; D347-Y353 HydrophobicContact CB-CE1 3.62Å; D347-Y353 HydrophobicContact CB-CE2 3.45Å; D347-Y353 VanDerWaalsContact CB-CE2 3.45Å; D347-Y353 HydrophobicContact CB-CG 4.31Å; D347-Y353 WeakPolarHBondContact CB-OH 3.12Å; D347-Y353 VanDerWaalsContact CG-CE1 3.42Å; D347-Y353 WeakPolarHBondContact OD2-CE1 3.32Å; D347-Y353 PolarHBondContact OD2-OH 3.45Å; D347-H356 PolarHBondContact O-CE1 3.35Å; D347-K431 VanDerWaalsContact CG-NZ 3.33Å; D347-K431 WeakPolarHBondContact OD1-CE 3.1Å; D347-K431 IonicContact OD1-NZ 2.89Å; D347-K431 PolarHBondContact OD1-NZ 2.9Å; D347-K431 IonicContact OD2-NZ 3.67Å; D347-K451 WeakPolarHBondContact OD1-CE 3.44Å; D347-K451 IonicContact OD1-NZ 3.21Å; D347-K451 WeakPolarHBondContact OD2-CE 3.41Å; D347-K451 IonicContact OD2-NZ 3.1Å; D347-K451 PolarHBondContact OD2-NZ 3.43Å
348	E	96.1	Very high	96.3	Very high	14 Å²	14	26.3 Å²	26.3	7%	0.065	13%	0.128	C	C	.	.	H	α-helix	trans	-71.5	-30.7	-179.7	-61.6	76.7	-168.3	0	0	111.1	G345 Y353 L372 E375 L376 I379	G345-E348 WeakPolarHBondContact CA-OE2 3.35Å; G345-E348 PolarHBondContact N-OE2 3.2Å; G345-E348 PolarHBondContact O-N 3.49Å; E348-Y353 HydrophobicContact CG-CE2 4.38Å; E348-Y353 WeakPolarHBondContact OE1-CE2 2.95Å; E348-Y353 PolarHBondContact OE1-OH 2.88Å; E348-L372 WeakPolarHBondContact O-CD2 3.49Å; E348-E375 HydrophobicContact CB-CB 4.45Å; E348-E375 HydrophobicContact CG-CB 4.03Å; E348-L376 HydrophobicContact CB-CD1 4.42Å; E348-I379 HydrophobicContact CB-CD1 4.37Å; E348-I379 HydrophobicContact CG-CD1 3.89Å; E348-I379 HydrophobicContact CG-CG1 4.31Å
349	L	97.4	Very high	96.5	Very high	1 Å²	1	22.5 Å²	22.5	1%	0.005	12%	0.115	C	C	.	.	H	α-helix	trans	-82	-36.4	176.8	-70.9	169.5	0	0	0	113.5	G345 D347 L376 Y402 F407 V408 V411 K419	G345-L349 WeakPolarHBondContact O-CB 3.23Å; G345-L349 WeakPolarHBondContact O-CD1 3.23Å; G345-L349 VanDerWaalsContact O-CG 3.25Å; G345-L349 WeakPolarHBondContact O-CG 3.45Å; G345-L349 PolarHBondContact O-N 2.76Å; D347-L349 VanDerWaalsContact C-N 3.34Å; L349-L376 HydrophobicContact CD2-CD1 4.18Å; L349-L376 HydrophobicContact CD2-CD2 3.88Å; L349-L376 HydrophobicContact CG-CD1 4.44Å; L349-Y402 WeakPolarHBondContact CD1-O 2.89Å; L349-F407 HydrophobicContact CD1-CD1 4.49Å; L349-F407 HydrophobicContact CD1-CE1 4.1Å; L349-V408 HydrophobicContact CD1-CG2 4.19Å; L349-V408 HydrophobicContact CD2-CG1 4.1Å; L349-V408 HydrophobicContact CD2-CG2 4.38Å; L349-V411 HydrophobicContact CB-CG1 4.23Å; L349-V411 HydrophobicContact CD2-CG1 4.3Å; L349-K419 WeakPolarHBondContact O-CE 3.39Å; L349-K419 PolarHBondContact O-NZ 2.86Å
350	F	97.6	Very high	96.5	Very high	0 Å²	0	24 Å²	24	0%	0	12%	0.121	C	C	.	.	H	α-helix	trans	-120.3	21	-168.8	-57.9	-82.2	0	0	0	114.1	L169 A346 Y402 F407 V411 K419 K431 I433 L434	L169-F350 HydrophobicContact CD1-CE1 3.97Å; L169-F350 HydrophobicContact CD1-CZ 3.75Å; A346-F350 WeakPolarHBondContact O-CB 3.46Å; A346-F350 WeakPolarHBondContact O-CD2 3.37Å; A346-F350 PolarHBondContact O-N 2.77Å; F350-Y402 HydrophobicContact CE2-CD1 4.08Å; F350-Y402 HydrophobicContact CE2-CE1 4.26Å; F350-F407 HydrophobicContact CE2-CE1 4.11Å; F350-F407 HydrophobicContact CE2-CZ 4.02Å; F350-F407 HydrophobicContact CZ-CE1 4.12Å; F350-F407 AromaticContact CZ-CZ 3.75Å; F350-F407 HydrophobicContact CZ-CZ 3.75Å; F350-V411 HydrophobicContact CD1-CG1 4.37Å; F350-V411 HydrophobicContact CE1-CG1 3.58Å; F350-V411 HydrophobicContact CE1-CG2 4.13Å; F350-V411 HydrophobicContact CE2-CG1 4.26Å; F350-V411 HydrophobicContact CZ-CB 4.24Å; F350-V411 HydrophobicContact CZ-CG1 3.51Å; F350-V411 HydrophobicContact CZ-CG2 3.6Å; F350-K419 HydrophobicContact CD1-CB 4.27Å; F350-K431 HydrophobicContact CB-CB 4.06Å; F350-K431 HydrophobicContact CB-CG 3.89Å; F350-K431 WeakPolarHBondContact O-CA 3.18Å; F350-K431 WeakPolarHBondContact O-CG 3.44Å; F350-K431 PolarHBondContact O-N 2.99Å; F350-I433 HydrophobicContact CD1-CG2 3.52Å; F350-I433 HydrophobicContact CE1-CG2 3.58Å; F350-L434 HydrophobicContact CB-CD1 4.38Å; F350-L434 HydrophobicContact CB-CG 4.4Å; F350-L434 HydrophobicContact CD1-CD2 4.18Å; F350-L434 HydrophobicContact CD1-CG 4.17Å; F350-L434 HydrophobicContact CD2-CD1 3.66Å; F350-L434 HydrophobicContact CD2-CD2 4.03Å; F350-L434 HydrophobicContact CD2-CG 3.93Å; F350-L434 HydrophobicContact CE1-CD2 3.93Å; F350-L434 HydrophobicContact CE1-CG 4.42Å; F350-L434 HydrophobicContact CE2-CD1 4.1Å; F350-L434 HydrophobicContact CE2-CD2 3.79Å; F350-L434 HydrophobicContact CE2-CG 4.22Å; F350-L434 HydrophobicContact CG-CD1 4.03Å; F350-L434 HydrophobicContact CG-CD2 4.22Å; F350-L434 HydrophobicContact CG-CG 3.91Å; F350-L434 HydrophobicContact CZ-CD2 3.73Å; F350-L434 HydrophobicContact CZ-CG 4.45Å
351	A	97.1	Very high	96.5	Very high	0 Å²	0	28 Å²	28	0%	0	15%	0.154	C	C	.	.	T	Hydrogen-bonded Turn	trans	57.7	54.9	176	0	0	0	0	0	114.6	D347 H356 L368 L372 T420 L422	D347-A351 WeakPolarHBondContact O-CA 3.39Å; D347-A351 PolarHBondContact O-N 3.04Å; A351-H356 WeakPolarHBondContact CA-ND1 2.9Å; A351-H356 HydrophobicContact CB-CB 4.02Å; A351-L368 HydrophobicContact CB-CD1 4.14Å; A351-L368 HydrophobicContact CB-CD2 4.32Å; A351-L372 HydrophobicContact CB-CD1 4.32Å; A351-L372 HydrophobicContact CB-CD2 4.17Å; A351-T420 HydrophobicContact CB-CG2 3.79Å; A351-L422 HydrophobicContact CB-CD1 4.21Å
352	G	96.1	Very high	96.4	Very high	7 Å²	7	36 Å²	36	7%	0.072	19%	0.192	C	C	.	.			trans	-84.1	-24.5	-174.3	0	0	0	0	0	117.5	D347 H356	D347-G352 PolarHBondContact O-N 2.79Å; D347-G352 WeakPolarHBondContact OD1-CA 3.49Å; G352-H356 PolarHBondContact N-ND1 2.85Å
353	Y	94.9	Very high	96.2	Very high	66 Å²	66	37.4 Å²	37.4	26%	0.259	21%	0.209	S	C	.	.	S	Bend	trans	-84.2	154.4	-176.7	-56.9	-51.7	0	0	0	113.9	D347 E348 R355 H356 E375	D347-Y353 HydrophobicContact CB-CD1 4.15Å; D347-Y353 HydrophobicContact CB-CD2 4Å; D347-Y353 HydrophobicContact CB-CE1 3.62Å; D347-Y353 HydrophobicContact CB-CE2 3.45Å; D347-Y353 VanDerWaalsContact CB-CE2 3.45Å; D347-Y353 HydrophobicContact CB-CG 4.31Å; D347-Y353 WeakPolarHBondContact CB-OH 3.12Å; D347-Y353 VanDerWaalsContact CG-CE1 3.42Å; D347-Y353 WeakPolarHBondContact OD2-CE1 3.32Å; D347-Y353 PolarHBondContact OD2-OH 3.45Å; E348-Y353 HydrophobicContact CG-CE2 4.38Å; E348-Y353 WeakPolarHBondContact OE1-CE2 2.95Å; E348-Y353 PolarHBondContact OE1-OH 2.88Å; Y353-R355 VanDerWaalsContact C-N 3.27Å; Y353-R355 PolarHBondContact O-N 3.22Å; Y353-H356 AromaticContact CD2-CE1 3.44Å; Y353-H356 VanDerWaalsContact CD2-CE1 3.44Å; Y353-H356 WeakPolarHBondContact CD2-CE1 3.45Å; Y353-H356 AromaticContact CD2-NE2 3.93Å; Y353-H356 AromaticContact CG-CE1 3.97Å; Y353-H356 PolarHBondContact N-ND1 2.81Å; Y353-H356 VanDerWaalsContact O-CB 3.25Å; Y353-H356 WeakPolarHBondContact O-CB 3.12Å; Y353-H356 PolarHBondContact O-N 3.39Å; Y353-E375 WeakPolarHBondContact CD2-OE2 3.33Å
354	M	93.5	Very high	96.1	Very high	96 Å²	96	38 Å²	38	47%	0.473	22%	0.215	S	C	.	.	H	α-helix	trans	-59.5	-34.8	176.2	-74.2	-59.7	-58.6	0	0	113.4	H356 R357 S358 R426	M354-H356 PolarHBondContact O-N 3.01Å; M354-R357 WeakPolarHBondContact O-CB 3.44Å; M354-R357 PolarHBondContact O-N 3.44Å; M354-S358 PolarHBondContact O-N 3.09Å; M354-S358 VanDerWaalsContact O-N 3.14Å; M354-R426 HydrophobicContact SD-CG 4.42Å; M354-R426 PolarHBondContact SD-NE 2.77Å
355	R	94.6	Very high	96	Very high	111 Å²	111	38.8 Å²	38.8	42%	0.419	21%	0.213	S	C	.	.	H	α-helix	trans	-56.5	-29.4	174.2	53.5	173.3	-83.4	159.4	5.6	113.4	Y353 R357 S358 S359 T371 E375	Y353-R355 VanDerWaalsContact C-N 3.27Å; Y353-R355 PolarHBondContact O-N 3.22Å; R355-R357 VanDerWaalsContact C-N 3.34Å; R355-S358 WeakPolarHBondContact O-CB 3.47Å; R355-S358 PolarHBondContact O-N 3.13Å; R355-S359 WeakPolarHBondContact O-CB 3.4Å; R355-S359 PolarHBondContact O-N 3.44Å; R355-T371 VanDerWaalsContact NH2-CG2 3.26Å; R355-E375 WeakPolarHBondContact CD-OE1 3.29Å; R355-E375 VanDerWaalsContact CZ-CG 3.46Å; R355-E375 IonicContact CZ-OE1 3.82Å; R355-E375 IonicContact CZ-OE2 3.38Å; R355-E375 VanDerWaalsContact NE-CD 3.3Å; R355-E375 IonicContact NE-OE1 3.09Å; R355-E375 PolarHBondContact NE-OE1 2.99Å; R355-E375 IonicContact NE-OE2 2.66Å; R355-E375 IonicContact NH1-OE1 2.64Å; R355-E375 PolarHBondContact NH1-OE1 3.4Å; R355-E375 VanDerWaalsContact NH2-CD 3.3Å; R355-E375 IonicContact NH2-OE1 2.71Å; R355-E375 PolarHBondContact NH2-OE1 3.35Å
356	H	97.1	Very high	96	Very high	0 Å²	0	43.9 Å²	43.9	0%	0	24%	0.241	C	C	.	.	H	α-helix	trans	-67.9	-38.5	176.2	-58.9	148.4	0	0	0	111.4	D347 A351 G352 Y353 M354 S359 F360 L368 L372 E375 L422	D347-H356 PolarHBondContact O-CE1 3.35Å; A351-H356 WeakPolarHBondContact CA-ND1 2.9Å; A351-H356 HydrophobicContact CB-CB 4.02Å; G352-H356 PolarHBondContact N-ND1 2.85Å; Y353-H356 AromaticContact CD2-CE1 3.44Å; Y353-H356 VanDerWaalsContact CD2-CE1 3.44Å; Y353-H356 WeakPolarHBondContact CD2-CE1 3.45Å; Y353-H356 AromaticContact CD2-NE2 3.93Å; Y353-H356 AromaticContact CG-CE1 3.97Å; Y353-H356 PolarHBondContact N-ND1 2.81Å; Y353-H356 VanDerWaalsContact O-CB 3.25Å; Y353-H356 WeakPolarHBondContact O-CB 3.12Å; Y353-H356 PolarHBondContact O-N 3.39Å; M354-H356 PolarHBondContact O-N 3.01Å; H356-S359 PolarHBondContact O-N 2.87Å; H356-F360 VanDerWaalsContact O-CB 3.29Å; H356-F360 WeakPolarHBondContact O-CB 3.46Å; H356-F360 PolarHBondContact O-N 3.48Å; H356-L368 HydrophobicContact CB-CD1 3.59Å; H356-L372 WeakPolarHBondContact NE2-CD2 3.41Å; H356-E375 IonicContact CE1-OE2 3.91Å; H356-E375 PolarHBondContact CE1-OE2 2.79Å; H356-E375 IonicContact NE2-OE2 3.65Å; H356-E375 PolarHBondContact NE2-OE2 2.83Å; H356-L422 HydrophobicContact CB-CD1 3.92Å; H356-L422 WeakPolarHBondContact O-CD1 3.43Å
357	R	96.2	Very high	95.9	Very high	36 Å²	36	45.3 Å²	45.3	14%	0.136	25%	0.252	C	S	.	.	H	α-helix	trans	-66	-40.1	173.7	-68.3	-179.7	170.6	-87.8	4.3	111.3	M354 R355 F360 A361 L422 L424 A425 D430	M354-R357 WeakPolarHBondContact O-CB 3.44Å; M354-R357 PolarHBondContact O-N 3.44Å; R355-R357 VanDerWaalsContact C-N 3.34Å; R357-F360 PolarHBondContact O-N 3Å; R357-A361 WeakPolarHBondContact O-CB 3.41Å; R357-A361 PolarHBondContact O-N 2.85Å; R357-L422 HydrophobicContact CG-CB 4.19Å; R357-L422 HydrophobicContact CG-CD1 4.05Å; R357-L422 HydrophobicContact CG-CD2 3.86Å; R357-L422 HydrophobicContact CG-CG 4.26Å; R357-L422 PolarHBondContact NH1-O 2.82Å; R357-L424 PolarHBondContact NH1-O 3.29Å; R357-L424 PolarHBondContact NH2-O 3.4Å; R357-A425 PolarHBondContact NH2-O 3.44Å; R357-D430 IonicContact CZ-OD1 3.96Å; R357-D430 IonicContact NE-OD1 2.85Å; R357-D430 IonicContact NH2-OD1 3.72Å; R357-D430 PolarHBondContact NH2-OD1 3.18Å
358	S	96.8	Very high	95.9	Very high	62 Å²	62	44.9 Å²	44.9	43%	0.434	25%	0.25	S	S	.	.	H	α-helix	trans	-59.9	-51.6	173.4	-58.3	0	0	0	0	111.6	M354 R355 F360 A361 E362	M354-S358 PolarHBondContact O-N 3.09Å; M354-S358 VanDerWaalsContact O-N 3.14Å; R355-S358 WeakPolarHBondContact O-CB 3.47Å; R355-S358 PolarHBondContact O-N 3.13Å; S358-F360 VanDerWaalsContact C-N 3.34Å; S358-F360 PolarHBondContact O-N 3.43Å; S358-A361 PolarHBondContact O-N 3.1Å; S358-A361 VanDerWaalsContact O-N 3.11Å; S358-E362 WeakPolarHBondContact O-CG 3.29Å; S358-E362 PolarHBondContact O-N 3.33Å
359	S	96.8	Very high	95.9	Very high	12 Å²	12	44.2 Å²	44.2	8%	0.084	25%	0.247	C	C	.	.	H	α-helix	trans	-59	-42.6	177.5	177.6	0	0	0	0	112.7	R355 H356 E362 G363 A367 L368 T371	R355-S359 WeakPolarHBondContact O-CB 3.4Å; R355-S359 PolarHBondContact O-N 3.44Å; H356-S359 PolarHBondContact O-N 2.87Å; S359-E362 PolarHBondContact O-N 3.29Å; S359-G363 PolarHBondContact O-N 3.11Å; S359-A367 WeakPolarHBondContact O-CB 3.03Å; S359-A367 PolarHBondContact OG-O 3.29Å; S359-L368 PolarHBondContact OG-N 3.08Å; S359-T371 WeakPolarHBondContact CB-OG1 3.4Å; S359-T371 PolarHBondContact OG-OG1 2.88Å
360	F	96.6	Very high	95.8	Very high	39 Å²	39	47.2 Å²	47.2	17%	0.171	27%	0.266	C	S	.	.	H	α-helix	trans	-64.6	-39.5	174.4	177.1	-96.2	0	0	0	113	H356 R357 S358 E362 G364 Y365 L368 L422	H356-F360 VanDerWaalsContact O-CB 3.29Å; H356-F360 WeakPolarHBondContact O-CB 3.46Å; H356-F360 PolarHBondContact O-N 3.48Å; R357-F360 PolarHBondContact O-N 3Å; S358-F360 VanDerWaalsContact C-N 3.34Å; S358-F360 PolarHBondContact O-N 3.43Å; F360-E362 VanDerWaalsContact C-N 3.3Å; F360-E362 PolarHBondContact O-N 2.89Å; F360-G364 WeakPolarHBondContact O-CA 2.95Å; F360-G364 PolarHBondContact O-N 2.93Å; F360-Y365 HydrophobicContact CD2-CD1 4.3Å; F360-Y365 HydrophobicContact CD2-CE1 4.42Å; F360-Y365 HydrophobicContact CD2-CG 4.49Å; F360-Y365 HydrophobicContact CE2-CD1 4.04Å; F360-Y365 AromaticContact CE2-CD2 3.94Å; F360-Y365 HydrophobicContact CE2-CD2 3.94Å; F360-Y365 AromaticContact CE2-CE1 3.91Å; F360-Y365 HydrophobicContact CE2-CE1 3.91Å; F360-Y365 AromaticContact CE2-CE2 3.79Å; F360-Y365 HydrophobicContact CE2-CE2 3.79Å; F360-Y365 HydrophobicContact CE2-CG 4.06Å; F360-Y365 AromaticContact CE2-CZ 3.78Å; F360-Y365 HydrophobicContact CZ-CE2 4.39Å; F360-L368 HydrophobicContact CB-CB 4.41Å; F360-L368 HydrophobicContact CD2-CD2 4.34Å; F360-L422 HydrophobicContact CB-CB 4.07Å; F360-L422 HydrophobicContact CB-CD1 3.83Å; F360-L422 HydrophobicContact CD1-CB 3.62Å; F360-L422 HydrophobicContact CD2-CB 4.35Å; F360-L422 HydrophobicContact CE1-CB 4.11Å; F360-L422 HydrophobicContact CG-CB 3.75Å; F360-L422 HydrophobicContact CG-CD1 4.32Å
361	A	96.1	Very high	95.8	Very high	84 Å²	84	48.4 Å²	48.4	69%	0.694	27%	0.273	S	S	*	.	H	α-helix	trans	-66.6	-33.1	176.6	0	0	0	0	0	112.3	R357 S358	R357-A361 WeakPolarHBondContact O-CB 3.41Å; R357-A361 PolarHBondContact O-N 2.85Å; S358-A361 PolarHBondContact O-N 3.1Å; S358-A361 VanDerWaalsContact O-N 3.11Å
362	E	95.9	Very high	95.7	Very high	168 Å²	168	48.5 Å²	48.5	79%	0.785	27%	0.273	S	S	*	.	H	α-helix	trans	-78.4	-38.4	-179.4	-72.7	167.5	-163.2	0	0	113.2	S358 S359 F360	S358-E362 WeakPolarHBondContact O-CG 3.29Å; S358-E362 PolarHBondContact O-N 3.33Å; S359-E362 PolarHBondContact O-N 3.29Å; F360-E362 VanDerWaalsContact C-N 3.3Å; F360-E362 PolarHBondContact O-N 2.89Å
363	G	94.4	Very high	95.7	Very high	39 Å²	39	50 Å²	50	40%	0.402	28%	0.278	S	S	.	.	H	α-helix	trans	-148.3	20.6	-172.5	0	0	0	0	0	115.9	S359 A367	S359-G363 PolarHBondContact O-N 3.11Å; G363-A367 PolarHBondContact O-N 3.2Å
364	G	94.5	Very high	95.6	Very high	25 Å²	25	50.9 Å²	50.9	26%	0.258	29%	0.285	S	S	.	.	H	α-helix	trans	62.3	-153	177.4	0	0	0	0	0	113.6	F360 N366 A367 L368	F360-G364 WeakPolarHBondContact O-CA 2.95Å; F360-G364 PolarHBondContact O-N 2.93Å; G364-N366 VanDerWaalsContact C-N 3.26Å; G364-N366 PolarHBondContact O-N 3.46Å; G364-A367 PolarHBondContact O-N 3.05Å; G364-L368 PolarHBondContact O-N 2.86Å; G364-L368 VanDerWaalsContact O-N 3.11Å
365	Y	94.8	Very high	95.6	Very high	45 Å²	45	47.6 Å²	47.6	18%	0.176	27%	0.268	C	S	.	.	H	α-helix	trans	-63.4	-28.1	-177.7	-74.4	-69	0	0	0	113.9	F360 L368 A369 L416 T420	F360-Y365 HydrophobicContact CD2-CD1 4.3Å; F360-Y365 HydrophobicContact CD2-CE1 4.42Å; F360-Y365 HydrophobicContact CD2-CG 4.49Å; F360-Y365 HydrophobicContact CE2-CD1 4.04Å; F360-Y365 AromaticContact CE2-CD2 3.94Å; F360-Y365 HydrophobicContact CE2-CD2 3.94Å; F360-Y365 AromaticContact CE2-CE1 3.91Å; F360-Y365 HydrophobicContact CE2-CE1 3.91Å; F360-Y365 AromaticContact CE2-CE2 3.79Å; F360-Y365 HydrophobicContact CE2-CE2 3.79Å; F360-Y365 HydrophobicContact CE2-CG 4.06Å; F360-Y365 AromaticContact CE2-CZ 3.78Å; F360-Y365 HydrophobicContact CZ-CE2 4.39Å; Y365-L368 HydrophobicContact CD1-CD2 4.35Å; Y365-A369 VanDerWaalsContact O-CB 3.3Å; Y365-A369 WeakPolarHBondContact O-CB 3.49Å; Y365-A369 PolarHBondContact O-N 2.83Å; Y365-L416 HydrophobicContact CD1-CB 4.08Å; Y365-L416 HydrophobicContact CD1-CD2 3.88Å; Y365-L416 HydrophobicContact CD1-CG 3.78Å; Y365-L416 HydrophobicContact CE1-CG 4.27Å; Y365-T420 PolarHBondContact OH-O 3.18Å
366	N	94.8	Very high	95.5	Very high	107 Å²	107	42.4 Å²	42.4	57%	0.572	25%	0.249	S	C	*	.	H	α-helix	trans	-68.8	-48.2	178.8	-73.7	-27.9	0	0	0	111.7	G364 L368 A369 V370	G364-N366 VanDerWaalsContact C-N 3.26Å; G364-N366 PolarHBondContact O-N 3.46Å; N366-L368 VanDerWaalsContact C-N 3.33Å; N366-A369 PolarHBondContact O-N 2.73Å; N366-V370 WeakPolarHBondContact O-CG2 3.44Å; N366-V370 PolarHBondContact O-N 3.13Å; N366-V370 VanDerWaalsContact O-N 3.14Å
367	A	96.1	Very high	95.2	Very high	30 Å²	30	44.8 Å²	44.8	25%	0.248	26%	0.259	C	S	.	.	H	α-helix	trans	-63.8	-41.2	175.8	0	0	0	0	0	111.5	S359 G363 G364 A369 V370 T371	S359-A367 WeakPolarHBondContact O-CB 3.03Å; S359-A367 PolarHBondContact OG-O 3.29Å; G363-A367 PolarHBondContact O-N 3.2Å; G364-A367 PolarHBondContact O-N 3.05Å; A367-A369 PolarHBondContact O-N 3.26Å; A367-V370 PolarHBondContact O-N 3Å; A367-T371 WeakPolarHBondContact O-CB 3.23Å; A367-T371 PolarHBondContact O-N 3.42Å; A367-T371 PolarHBondContact O-OG1 3.37Å
368	L	96.7	Very high	94.9	Very high	0 Å²	0	48.8 Å²	48.8	0%	0	27%	0.274	C	S	.	.	H	α-helix	trans	-58.8	-47.9	174.4	177.8	60.3	0	0	0	111.3	A351 H356 S359 F360 G364 Y365 N366 V370 T371 L372 L416 T420 L422	A351-L368 HydrophobicContact CB-CD1 4.14Å; A351-L368 HydrophobicContact CB-CD2 4.32Å; H356-L368 HydrophobicContact CB-CD1 3.59Å; S359-L368 PolarHBondContact OG-N 3.08Å; F360-L368 HydrophobicContact CB-CB 4.41Å; F360-L368 HydrophobicContact CD2-CD2 4.34Å; G364-L368 PolarHBondContact O-N 2.86Å; G364-L368 VanDerWaalsContact O-N 3.11Å; Y365-L368 HydrophobicContact CD1-CD2 4.35Å; N366-L368 VanDerWaalsContact C-N 3.33Å; L368-V370 PolarHBondContact O-N 3.46Å; L368-T371 WeakPolarHBondContact O-CB 3.33Å; L368-T371 PolarHBondContact O-N 3.14Å; L368-T371 VanDerWaalsContact O-N 3.13Å; L368-L372 HydrophobicContact CD1-CD1 4.07Å; L368-L372 HydrophobicContact CD1-CD2 4.2Å; L368-L372 HydrophobicContact CD1-CG 3.97Å; L368-L372 HydrophobicContact CG-CD1 3.98Å; L368-L372 HydrophobicContact CG-CG 4.29Å; L368-L372 WeakPolarHBondContact O-CG 3.25Å; L368-L372 PolarHBondContact O-N 3.46Å; L368-L416 HydrophobicContact CB-CD2 4.25Å; L368-L416 HydrophobicContact CD2-CD1 4.48Å; L368-L416 HydrophobicContact CD2-CD2 3.83Å; L368-L416 HydrophobicContact CD2-CG 4.19Å; L368-L416 HydrophobicContact CG-CD2 3.9Å; L368-T420 HydrophobicContact CD2-CG2 3.98Å; L368-L422 HydrophobicContact CD1-CD1 4.07Å; L368-L422 HydrophobicContact CD2-CD1 3.74Å; L368-L422 HydrophobicContact CD2-CG 4.41Å
369	A	96.2	Very high	94.6	Very high	0 Å²	0	46 Å²	46	0%	0	26%	0.255	C	S	.	.	H	α-helix	trans	-57.2	-51.1	179.4	0	0	0	0	0	111.4	V133 K135 Y365 N366 A367 T371 L372 E373 L416	V133-A369 HydrophobicContact CB-CB 4.48Å; V133-A369 HydrophobicContact CG1-CB 4.46Å; K135-A369 HydrophobicContact CD-CB 4.04Å; K135-A369 HydrophobicContact CG-CB 3.83Å; Y365-A369 VanDerWaalsContact O-CB 3.3Å; Y365-A369 WeakPolarHBondContact O-CB 3.49Å; Y365-A369 PolarHBondContact O-N 2.83Å; N366-A369 PolarHBondContact O-N 2.73Å; A367-A369 PolarHBondContact O-N 3.26Å; A369-T371 PolarHBondContact O-N 3Å; A369-L372 PolarHBondContact O-N 3.3Å; A369-L372 VanDerWaalsContact O-N 3.11Å; A369-E373 VanDerWaalsContact O-CG 3.22Å; A369-E373 WeakPolarHBondContact O-CG 3.43Å; A369-E373 PolarHBondContact O-N 2.88Å; A369-L416 HydrophobicContact CB-CD2 4.08Å
370	V	95.5	Very high	94.3	Very high	65 Å²	65	45.5 Å²	45.5	39%	0.394	25%	0.251	S	S	.	.	H	α-helix	trans	-55.1	-43.3	176.3	173.9	0	0	0	0	111.2	N366 A367 L368 L372 E373 E374	N366-V370 WeakPolarHBondContact O-CG2 3.44Å; N366-V370 PolarHBondContact O-N 3.13Å; N366-V370 VanDerWaalsContact O-N 3.14Å; A367-V370 PolarHBondContact O-N 3Å; L368-V370 PolarHBondContact O-N 3.46Å; V370-L372 PolarHBondContact O-N 3.46Å; V370-E373 PolarHBondContact O-N 3.43Å; V370-E374 WeakPolarHBondContact O-CG 3.32Å; V370-E374 PolarHBondContact O-N 3.02Å
371	T	96.3	Very high	93.7	Very high	24 Å²	24	48.1 Å²	48.1	15%	0.147	26%	0.264	C	S	.	.	H	α-helix	trans	-62	-43.7	179	-57.1	0	0	0	0	112	R355 S359 A367 L368 A369 E375	R355-T371 VanDerWaalsContact NH2-CG2 3.26Å; S359-T371 WeakPolarHBondContact CB-OG1 3.4Å; S359-T371 PolarHBondContact OG-OG1 2.88Å; A367-T371 WeakPolarHBondContact O-CB 3.23Å; A367-T371 PolarHBondContact O-N 3.42Å; A367-T371 PolarHBondContact O-OG1 3.37Å; L368-T371 WeakPolarHBondContact O-CB 3.33Å; L368-T371 PolarHBondContact O-N 3.14Å; L368-T371 VanDerWaalsContact O-N 3.13Å; A369-T371 PolarHBondContact O-N 3Å; T371-E375 WeakPolarHBondContact O-CG 3.45Å; T371-E375 PolarHBondContact O-N 3.48Å; T371-E375 VanDerWaalsContact O-N 3.08Å
372	L	96.4	Very high	93.1	Very high	2 Å²	2	50 Å²	50	1%	0.01	25%	0.253	C	S	.	.	H	α-helix	trans	-69.9	-41.9	179.3	-62.5	174.4	0	0	0	111.7	V133 E348 A351 H356 L368 A369 V370 E374 E375 L376 L416	V133-L372 HydrophobicContact CG2-CB 4.39Å; E348-L372 WeakPolarHBondContact O-CD2 3.49Å; A351-L372 HydrophobicContact CB-CD1 4.32Å; A351-L372 HydrophobicContact CB-CD2 4.17Å; H356-L372 WeakPolarHBondContact NE2-CD2 3.41Å; L368-L372 HydrophobicContact CD1-CD1 4.07Å; L368-L372 HydrophobicContact CD1-CD2 4.2Å; L368-L372 HydrophobicContact CD1-CG 3.97Å; L368-L372 HydrophobicContact CG-CD1 3.98Å; L368-L372 HydrophobicContact CG-CG 4.29Å; L368-L372 WeakPolarHBondContact O-CG 3.25Å; L368-L372 PolarHBondContact O-N 3.46Å; A369-L372 PolarHBondContact O-N 3.3Å; A369-L372 VanDerWaalsContact O-N 3.11Å; V370-L372 PolarHBondContact O-N 3.46Å; L372-E374 PolarHBondContact O-N 3.32Å; L372-E375 PolarHBondContact O-N 2.74Å; L372-L376 WeakPolarHBondContact O-CB 3.48Å; L372-L376 PolarHBondContact O-N 3.1Å; L372-L416 HydrophobicContact CD1-CD1 3.76Å; L372-L416 HydrophobicContact CD1-CD2 4.4Å
373	E	94.9	Very high	92.5	Very high	38 Å²	38	43.2 Å²	43.2	18%	0.178	22%	0.224	C	C	.	.	H	α-helix	trans	-57.8	-47.6	175.9	-66.5	176.7	160.9	0	0	110.4	F131 V133 K135 A369 V370 F377	F131-E373 VanDerWaalsContact O-CG 3.27Å; F131-E373 WeakPolarHBondContact O-CG 3.47Å; V133-E373 HydrophobicContact CB-CG 4.06Å; V133-E373 HydrophobicContact CG2-CG 3.76Å; V133-E373 PolarHBondContact N-OE1 3.39Å; K135-E373 WeakPolarHBondContact CE-OE1 3.37Å; K135-E373 WeakPolarHBondContact CE-OE2 3.48Å; K135-E373 IonicContact NZ-OE1 3.4Å; K135-E373 PolarHBondContact NZ-OE1 3.11Å; K135-E373 IonicContact NZ-OE2 2.95Å; K135-E373 PolarHBondContact NZ-OE2 2.82Å; A369-E373 VanDerWaalsContact O-CG 3.22Å; A369-E373 WeakPolarHBondContact O-CG 3.43Å; A369-E373 PolarHBondContact O-N 2.88Å; V370-E373 PolarHBondContact O-N 3.43Å; E373-F377 WeakPolarHBondContact O-CB 3.4Å; E373-F377 PolarHBondContact O-N 3.38Å
374	E	93.1	Very high	92.5	Very high	85 Å²	85	41.5 Å²	41.5	40%	0.397	21%	0.206	S	C	.	.	H	α-helix	trans	-64.1	-39.8	176.6	-75.2	-172.7	-171	0	0	113.7	V370 L372 R378	V370-E374 WeakPolarHBondContact O-CG 3.32Å; V370-E374 PolarHBondContact O-N 3.02Å; L372-E374 PolarHBondContact O-N 3.32Å; E374-R378 WeakPolarHBondContact O-CB 3.16Å; E374-R378 VanDerWaalsContact O-CG 3.28Å; E374-R378 WeakPolarHBondContact O-CG 3.46Å; E374-R378 PolarHBondContact O-N 2.97Å; E374-R378 VanDerWaalsContact O-N 3.13Å; E374-R378 IonicContact OE2-CZ 3.94Å; E374-R378 IonicContact OE2-NH1 2.96Å; E374-R378 PolarHBondContact OE2-NH1 2.85Å
375	E	93.8	Very high	92.5	Very high	28 Å²	28	40.4 Å²	40.4	13%	0.131	19%	0.194	C	C	.	.	H	α-helix	trans	-68.4	-45.4	177.5	-75.2	-150.3	132.8	0	0	112.2	E348 Y353 R355 H356 T371 L372 F377 R378 I379	E348-E375 HydrophobicContact CB-CB 4.45Å; E348-E375 HydrophobicContact CG-CB 4.03Å; Y353-E375 WeakPolarHBondContact CD2-OE2 3.33Å; R355-E375 WeakPolarHBondContact CD-OE1 3.29Å; R355-E375 VanDerWaalsContact CZ-CG 3.46Å; R355-E375 IonicContact CZ-OE1 3.82Å; R355-E375 IonicContact CZ-OE2 3.38Å; R355-E375 VanDerWaalsContact NE-CD 3.3Å; R355-E375 IonicContact NE-OE1 3.09Å; R355-E375 PolarHBondContact NE-OE1 2.99Å; R355-E375 IonicContact NE-OE2 2.66Å; R355-E375 IonicContact NH1-OE1 2.64Å; R355-E375 PolarHBondContact NH1-OE1 3.4Å; R355-E375 VanDerWaalsContact NH2-CD 3.3Å; R355-E375 IonicContact NH2-OE1 2.71Å; R355-E375 PolarHBondContact NH2-OE1 3.35Å; H356-E375 IonicContact CE1-OE2 3.91Å; H356-E375 PolarHBondContact CE1-OE2 2.79Å; H356-E375 IonicContact NE2-OE2 3.65Å; H356-E375 PolarHBondContact NE2-OE2 2.83Å; T371-E375 WeakPolarHBondContact O-CG 3.45Å; T371-E375 PolarHBondContact O-N 3.48Å; T371-E375 VanDerWaalsContact O-N 3.08Å; L372-E375 PolarHBondContact O-N 2.74Å; E375-F377 VanDerWaalsContact C-N 3.26Å; E375-F377 PolarHBondContact O-N 3.22Å; E375-R378 CarbonylContact O-C 3.53Å; E375-R378 PolarHBondContact O-N 2.82Å; E375-R378 VanDerWaalsContact O-N 3.09Å; E375-I379 PolarHBondContact O-N 3.04Å
376	L	92.5	Very high	92.4	Very high	2 Å²	2	38.4 Å²	38.4	1%	0.01	19%	0.186	C	C	.	.	H	α-helix	trans	-61.6	-39.4	178.7	-170.7	62	0	0	0	110.4	F40 F131 E348 L349 L372 R378 I379 L403 V408	F40-L376 HydrophobicContact CD1-CD1 4.27Å; F40-L376 HydrophobicContact CE1-CD1 4.09Å; F40-L376 HydrophobicContact CE1-CG 4.25Å; F131-L376 HydrophobicContact CD1-CB 4.11Å; F131-L376 HydrophobicContact CD1-CD2 4.05Å; F131-L376 HydrophobicContact CD1-CG 3.69Å; F131-L376 HydrophobicContact CE1-CG 3.97Å; F131-L376 WeakPolarHBondContact CE1-O 3.33Å; E348-L376 HydrophobicContact CB-CD1 4.42Å; L349-L376 HydrophobicContact CD2-CD1 4.18Å; L349-L376 HydrophobicContact CD2-CD2 3.88Å; L349-L376 HydrophobicContact CG-CD1 4.44Å; L372-L376 WeakPolarHBondContact O-CB 3.48Å; L372-L376 PolarHBondContact O-N 3.1Å; L376-R378 VanDerWaalsContact C-N 3.33Å; L376-R378 PolarHBondContact O-N 3.01Å; L376-I379 WeakPolarHBondContact O-CG2 3.39Å; L376-I379 PolarHBondContact O-N 3.31Å; L376-L403 HydrophobicContact CD1-CD2 4Å; L376-V408 HydrophobicContact CD2-CG1 4.25Å
377	F	90.2	Very high	92.5	Very high	50 Å²	50	33.5 Å²	33.5	22%	0.219	16%	0.16	C	C	.	.	H	α-helix	trans	-64.1	-34.8	174.8	-171.6	-98.2	0	0	0	113.2	F102 S104 F131 E373 E375	F102-F377 AromaticContact CD2-CE2 3.43Å; F102-F377 HydrophobicContact CD2-CE2 3.43Å; F102-F377 VanDerWaalsContact CD2-CE2 3.43Å; F102-F377 AromaticContact CD2-CZ 3.79Å; F102-F377 HydrophobicContact CD2-CZ 3.79Å; F102-F377 HydrophobicContact CE1-CE2 4.44Å; F102-F377 HydrophobicContact CE2-CD2 4.33Å; F102-F377 HydrophobicContact CE2-CE1 4.44Å; F102-F377 AromaticContact CE2-CE2 3.2Å; F102-F377 HydrophobicContact CE2-CE2 3.2Å; F102-F377 AromaticContact CE2-CZ 3.28Å; F102-F377 HydrophobicContact CE2-CZ 3.28Å; F102-F377 HydrophobicContact CG-CE2 4.17Å; F102-F377 AromaticContact CZ-CE2 3.78Å; F102-F377 HydrophobicContact CZ-CE2 3.78Å; F102-F377 HydrophobicContact CZ-CZ 4.04Å; S104-F377 VanDerWaalsContact OG-CE2 3.23Å; S104-F377 WeakPolarHBondContact OG-CE2 3.38Å; F131-F377 HydrophobicContact CD1-CB 4.28Å; F131-F377 HydrophobicContact CD1-CD2 4.48Å; F131-F377 HydrophobicContact CG-CD2 4.48Å; E373-F377 WeakPolarHBondContact O-CB 3.4Å; E373-F377 PolarHBondContact O-N 3.38Å; E375-F377 VanDerWaalsContact C-N 3.26Å; E375-F377 PolarHBondContact O-N 3.22Å
378	R	90.1	Very high	92.5	Very high	120 Å²	120	32.2 Å²	32.2	45%	0.453	15%	0.149	S	C	.	.	H	α-helix	trans	-91.6	-7.5	-178.2	-68.5	173.8	179.7	156.7	2.2	113.8	E374 E375 L376 G380 H381 R382	E374-R378 WeakPolarHBondContact O-CB 3.16Å; E374-R378 VanDerWaalsContact O-CG 3.28Å; E374-R378 WeakPolarHBondContact O-CG 3.46Å; E374-R378 PolarHBondContact O-N 2.97Å; E374-R378 VanDerWaalsContact O-N 3.13Å; E374-R378 IonicContact OE2-CZ 3.94Å; E374-R378 IonicContact OE2-NH1 2.96Å; E374-R378 PolarHBondContact OE2-NH1 2.85Å; E375-R378 CarbonylContact O-C 3.53Å; E375-R378 PolarHBondContact O-N 2.82Å; E375-R378 VanDerWaalsContact O-N 3.09Å; L376-R378 VanDerWaalsContact C-N 3.33Å; L376-R378 PolarHBondContact O-N 3.01Å; R378-G380 VanDerWaalsContact C-N 3.25Å; R378-G380 PolarHBondContact O-N 3.11Å; R378-H381 PolarHBondContact O-N 2.94Å; R378-H381 VanDerWaalsContact O-N 3.1Å; R378-R382 HydrophobicContact CB-CG 4.2Å; R378-R382 WeakPolarHBondContact O-CG 3.16Å; R378-R382 PolarHBondContact O-N 3.08Å
379	I	91.8	Very high	92.4	Very high	3 Å²	3	32.3 Å²	32.3	2%	0.015	15%	0.15	C	C	.	.	H	α-helix	trans	-56.3	-40.4	-169.3	-159.4	178.4	0	0	0	112.4	E348 E375 L376 R382 S383 L384 L403	E348-I379 HydrophobicContact CB-CD1 4.37Å; E348-I379 HydrophobicContact CG-CD1 3.89Å; E348-I379 HydrophobicContact CG-CG1 4.31Å; E375-I379 PolarHBondContact O-N 3.04Å; L376-I379 WeakPolarHBondContact O-CG2 3.39Å; L376-I379 PolarHBondContact O-N 3.31Å; I379-R382 PolarHBondContact O-N 2.79Å; I379-S383 PolarHBondContact O-N 3.27Å; I379-S383 PolarHBondContact O-OG 2.66Å; I379-L384 HydrophobicContact CD1-CD1 4.26Å; I379-L384 HydrophobicContact CD1-CG 4.47Å; I379-L384 HydrophobicContact CG1-CD1 4.13Å; I379-L384 HydrophobicContact CG1-CG 4.06Å; I379-L384 HydrophobicContact CG2-CD1 3.88Å; I379-L384 PolarHBondContact O-N 3.37Å; I379-L403 HydrophobicContact CD1-CD1 4.11Å; I379-L403 HydrophobicContact CD1-CD2 4.35Å
380	G	88.9	Confident	92.4	Very high	1 Å²	1	32.3 Å²	32.3	1%	0.01	15%	0.15	C	C	.	.	I	π-helix	trans	-61.8	-46	179	0	0	0	0	0	113	R37 F40 R378 S385	R37-G380 PolarHBondContact NH2-O 3.5Å; F40-G380 WeakPolarHBondContact O-CA 3.32Å; F40-G380 PolarHBondContact O-N 2.58Å; R378-G380 VanDerWaalsContact C-N 3.25Å; R378-G380 PolarHBondContact O-N 3.11Å; G380-S385 PolarHBondContact O-N 3.33Å; G380-S385 PolarHBondContact O-OG 2.87Å
381	H	84.5	Confident	92.5	Very high	94 Å²	94	29.2 Å²	29.2	44%	0.435	13%	0.131	S	C	.	.	I	π-helix	trans	-75.3	-24	179.7	-73.1	-70.4	0	0	0	113.8	E80 V83 R378	E80-H381 IonicContact OE2-ND1 3.58Å; V83-H381 WeakPolarHBondContact CB-NE2 3.45Å; V83-H381 WeakPolarHBondContact CG2-NE2 3.44Å; V83-H381 PolarHBondContact N-CE1 2.89Å; V83-H381 PolarHBondContact N-NE2 2.71Å; R378-H381 PolarHBondContact O-N 2.94Å; R378-H381 VanDerWaalsContact O-N 3.1Å
382	R	83.7	Confident	92.5	Very high	123 Å²	123	29.6 Å²	29.6	46%	0.464	13%	0.134	S	C	.	.	I	π-helix	trans	-86.7	-63.2	-176.5	-73.9	-69.2	-150.9	178.3	4.7	111.8	R378 I379	R378-R382 HydrophobicContact CB-CG 4.2Å; R378-R382 WeakPolarHBondContact O-CG 3.16Å; R378-R382 PolarHBondContact O-N 3.08Å; I379-R382 PolarHBondContact O-N 2.79Å
383	S	84.1	Confident	92.4	Very high	27 Å²	27	31.3 Å²	31.3	19%	0.189	14%	0.144	C	C	.	.	I	π-helix	trans	-118.3	-40.7	-165.8	57.9	0	0	0	0	112.6	I379 S385 L386 C387	I379-S383 PolarHBondContact O-N 3.27Å; I379-S383 PolarHBondContact O-OG 2.66Å; S383-S385 PolarHBondContact O-N 2.79Å; S383-L386 PolarHBondContact O-N 3.46Å; S383-C387 PolarHBondContact O-N 3.42Å; S383-C387 PolarHBondContact O-SG 2.8Å
384	L	94.1	Very high	92.5	Very high	2 Å²	2	31 Å²	31	1%	0.01	14%	0.143	C	C	.	.	I	π-helix	trans	-69	-40.8	-168.6	-57.4	-178.2	0	0	0	113.4	F40 I379 L386 C387 D388 L400 L403	F40-L384 WeakPolarHBondContact O-CD1 3.4Å; I379-L384 HydrophobicContact CD1-CD1 4.26Å; I379-L384 HydrophobicContact CD1-CG 4.47Å; I379-L384 HydrophobicContact CG1-CD1 4.13Å; I379-L384 HydrophobicContact CG1-CG 4.06Å; I379-L384 HydrophobicContact CG2-CD1 3.88Å; I379-L384 PolarHBondContact O-N 3.37Å; L384-L386 VanDerWaalsContact C-N 3.28Å; L384-L386 PolarHBondContact O-N 2.93Å; L384-C387 PolarHBondContact O-N 3.44Å; L384-D388 WeakPolarHBondContact O-CB 3.26Å; L384-D388 PolarHBondContact O-N 2.66Å; L384-L400 HydrophobicContact CD1-CD1 4.33Å; L384-L400 HydrophobicContact CD2-CD1 4.19Å; L384-L400 HydrophobicContact CD2-CD2 4.47Å; L384-L403 HydrophobicContact CD1-CD1 3.38Å; L384-L403 HydrophobicContact CD2-CD1 4.23Å; L384-L403 HydrophobicContact CG-CD1 4.44Å
385	S	93	Very high	92.5	Very high	2 Å²	2	36.6 Å²	36.6	1%	0.014	16%	0.16	C	C	.	.	H	α-helix	trans	-59.2	-43.8	175.6	-36.5	0	0	0	0	111.5	R37 E80 G380 S383 D388 R389	R37-S385 PolarHBondContact NH1-OG 3.33Å; R37-S385 PolarHBondContact NH2-OG 3.33Å; E80-S385 WeakPolarHBondContact OE1-CB 3.13Å; E80-S385 PolarHBondContact OE1-OG 2.98Å; E80-S385 PolarHBondContact OE2-OG 2.91Å; G380-S385 PolarHBondContact O-N 3.33Å; G380-S385 PolarHBondContact O-OG 2.87Å; S383-S385 PolarHBondContact O-N 2.79Å; S385-D388 PolarHBondContact O-N 3.45Å; S385-R389 WeakPolarHBondContact O-CG 3.45Å; S385-R389 PolarHBondContact O-N 3.3Å; S385-R389 PolarHBondContact O-NH1 3.28Å
386	L	94.2	Very high	92.5	Very high	3 Å²	3	35.9 Å²	35.9	2%	0.016	16%	0.157	C	C	.	.	H	α-helix	trans	-61.3	-49.5	179.2	171.3	158.1	0	0	0	110.3	M295 A298 D303 I306 A307 S383 L384 D388 R389 V390	M295-L386 HydrophobicContact CB-CD1 3.99Å; M295-L386 HydrophobicContact CB-CG 4.19Å; M295-L386 HydrophobicContact CE-CD1 4.34Å; A298-L386 HydrophobicContact CB-CD1 3.87Å; D303-L386 HydrophobicContact CB-CD1 3.62Å; D303-L386 WeakPolarHBondContact O-CD1 3.44Å; I306-L386 HydrophobicContact CG2-CD2 4Å; A307-L386 HydrophobicContact CB-CD1 4.22Å; A307-L386 HydrophobicContact CB-CD2 3.99Å; A307-L386 HydrophobicContact CB-CG 4.28Å; S383-L386 PolarHBondContact O-N 3.46Å; L384-L386 VanDerWaalsContact C-N 3.28Å; L384-L386 PolarHBondContact O-N 2.93Å; L386-D388 VanDerWaalsContact C-N 3.33Å; L386-D388 PolarHBondContact O-N 2.79Å; L386-R389 PolarHBondContact O-N 3.01Å; L386-V390 WeakPolarHBondContact O-CG2 3.28Å; L386-V390 PolarHBondContact O-N 3.22Å; L386-V390 VanDerWaalsContact O-N 3.08Å
387	C	95.8	Very high	92.6	Very high	4 Å²	4	39.1 Å²	39.1	3%	0.027	17%	0.174	C	C	.	.	H	α-helix	trans	-56.5	-48.6	177.7	-65.6	0	0	0	0	110.9	I310 L342 S383 L384 R389 V390 I391	I310-C387 HydrophobicContact CD1-CB 4.15Å; I310-C387 WeakPolarHBondContact CD1-SG 3.46Å; L342-C387 HydrophobicContact CD2-CB 4.31Å; S383-C387 PolarHBondContact O-N 3.42Å; S383-C387 PolarHBondContact O-SG 2.8Å; L384-C387 PolarHBondContact O-N 3.44Å; C387-R389 VanDerWaalsContact C-N 3.35Å; C387-R389 PolarHBondContact O-N 2.74Å; C387-V390 WeakPolarHBondContact O-CG2 3.4Å; C387-V390 PolarHBondContact O-N 3.49Å; C387-I391 HydrophobicContact CB-CD1 4.33Å; C387-I391 VanDerWaalsContact O-CB 3.32Å; C387-I391 WeakPolarHBondContact O-CB 3.44Å; C387-I391 VanDerWaalsContact O-CD1 3.31Å; C387-I391 WeakPolarHBondContact O-CD1 3.39Å; C387-I391 WeakPolarHBondContact O-CG1 3.18Å; C387-I391 PolarHBondContact O-N 2.95Å
388	D	96.5	Very high	92.9	Very high	3 Å²	3	37.1 Å²	37.1	2%	0.016	17%	0.165	C	C	.	.	H	α-helix	trans	-61.6	-40.9	-179.1	-173.9	65.8	0	0	0	112	K43 S44 T68 L384 S385 L386 S392 V398	K43-D388 WeakPolarHBondContact CA-OD2 3.38Å; K43-D388 WeakPolarHBondContact CD-OD1 3.48Å; K43-D388 IonicContact NZ-OD1 3.28Å; K43-D388 PolarHBondContact NZ-OD1 3.09Å; S44-D388 PolarHBondContact N-OD2 2.99Å; T68-D388 WeakPolarHBondContact CG2-OD2 3.28Å; L384-D388 WeakPolarHBondContact O-CB 3.26Å; L384-D388 PolarHBondContact O-N 2.66Å; S385-D388 PolarHBondContact O-N 3.45Å; L386-D388 VanDerWaalsContact C-N 3.33Å; L386-D388 PolarHBondContact O-N 2.79Å; D388-S392 WeakPolarHBondContact O-CB 3.46Å; D388-S392 PolarHBondContact O-N 2.81Å; D388-S392 PolarHBondContact O-OG 3.44Å; D388-V398 HydrophobicContact CB-CG1 4.28Å; D388-V398 WeakPolarHBondContact OD1-CG1 3.3Å
389	R	95.3	Very high	93.2	Very high	3 Å²	3	32.1 Å²	32.1	1%	0.011	15%	0.148	C	C	.	.	H	α-helix	trans	-62.2	-50.3	175.7	-71.8	-170.4	-64.6	-90.1	3.5	112.7	S44 T68 L69 E80 L294 M295 R296 S385 L386 C387 I391 S392 D393	S44-R389 WeakPolarHBondContact OG-CG 3.07Å; S44-R389 PolarHBondContact OG-NH1 3.43Å; T68-R389 WeakPolarHBondContact O-CD 3.35Å; T68-R389 VanDerWaalsContact O-CG 3.25Å; T68-R389 WeakPolarHBondContact O-CG 3.25Å; L69-R389 HydrophobicContact CD2-CB 4.15Å; L69-R389 HydrophobicContact CD2-CG 4.44Å; L69-R389 WeakPolarHBondContact CD2-O 3.47Å; E80-R389 IonicContact OE1-CZ 3.7Å; E80-R389 IonicContact OE1-NH1 2.64Å; E80-R389 PolarHBondContact OE1-NH1 2.97Å; E80-R389 IonicContact OE1-NH2 3.27Å; L294-R389 WeakPolarHBondContact O-CB 3.44Å; L294-R389 WeakPolarHBondContact O-CD 3.36Å; L294-R389 PolarHBondContact O-NE 2.93Å; M295-R389 PolarHBondContact O-NH2 3.01Å; R296-R389 PolarHBondContact O-NE 3.28Å; R296-R389 PolarHBondContact O-NH2 3.29Å; S385-R389 WeakPolarHBondContact O-CG 3.45Å; S385-R389 PolarHBondContact O-N 3.3Å; S385-R389 PolarHBondContact O-NH1 3.28Å; L386-R389 PolarHBondContact O-N 3.01Å; C387-R389 VanDerWaalsContact C-N 3.35Å; C387-R389 PolarHBondContact O-N 2.74Å; R389-I391 VanDerWaalsContact C-N 3.31Å; R389-I391 PolarHBondContact O-N 3.3Å; R389-S392 PolarHBondContact O-N 2.66Å; R389-D393 PolarHBondContact O-N 3.26Å
390	V	96.4	Very high	93.5	Very high	0 Å²	0	32.3 Å²	32.3	0%	0	15%	0.149	C	C	.	.	H	α-helix	trans	-70.8	-28.9	-176.8	-60.2	0	0	0	0	112.7	L294 A307 I310 W311 L386 C387	L294-V390 HydrophobicContact CB-CG1 4.13Å; A307-V390 HydrophobicContact CB-CG1 4.09Å; I310-V390 HydrophobicContact CB-CG2 3.92Å; I310-V390 HydrophobicContact CG2-CG2 3.58Å; W311-V390 HydrophobicContact CB-CB 4.02Å; W311-V390 HydrophobicContact CG-CB 4.47Å; L386-V390 WeakPolarHBondContact O-CG2 3.28Å; L386-V390 PolarHBondContact O-N 3.22Å; L386-V390 VanDerWaalsContact O-N 3.08Å; C387-V390 WeakPolarHBondContact O-CG2 3.4Å; C387-V390 PolarHBondContact O-N 3.49Å
391	I	97.1	Very high	93.9	Very high	0 Å²	0	32.3 Å²	32.3	0%	0	15%	0.148	C	C	.	.	H	α-helix	trans	-75.8	-43.5	174.9	-67.1	163	0	0	0	110.5	I310 L340 L342 C387 R389 D393 H394 L396 V398	I310-I391 HydrophobicContact CG2-CD1 3.78Å; I310-I391 HydrophobicContact CG2-CG1 3.49Å; I310-I391 VanDerWaalsContact CG2-CG1 3.49Å; L340-I391 HydrophobicContact CD2-CD1 3.97Å; L340-I391 HydrophobicContact CD2-CG2 4.46Å; L342-I391 HydrophobicContact CD2-CD1 4.38Å; C387-I391 HydrophobicContact CB-CD1 4.33Å; C387-I391 VanDerWaalsContact O-CB 3.32Å; C387-I391 WeakPolarHBondContact O-CB 3.44Å; C387-I391 VanDerWaalsContact O-CD1 3.31Å; C387-I391 WeakPolarHBondContact O-CD1 3.39Å; C387-I391 WeakPolarHBondContact O-CG1 3.18Å; C387-I391 PolarHBondContact O-N 2.95Å; R389-I391 VanDerWaalsContact C-N 3.31Å; R389-I391 PolarHBondContact O-N 3.3Å; I391-D393 PolarHBondContact O-N 3.44Å; I391-H394 PolarHBondContact O-N 2.88Å; I391-L396 HydrophobicContact CG2-CB 3.52Å; I391-L396 HydrophobicContact CG2-CD1 4.17Å; I391-L396 HydrophobicContact CG2-CG 4.5Å; I391-V398 HydrophobicContact CD1-CB 3.97Å; I391-V398 HydrophobicContact CD1-CG2 3.82Å; I391-V398 HydrophobicContact CG2-CB 4.13Å
392	S	95.5	Very high	94.5	Very high	31 Å²	31	27.8 Å²	27.8	22%	0.217	13%	0.128	C	C	.	.	H	α-helix	trans	-65.3	-26.1	-178	-63.9	0	0	0	0	113	D388 R389 H394 R395	D388-S392 WeakPolarHBondContact O-CB 3.46Å; D388-S392 PolarHBondContact O-N 2.81Å; D388-S392 PolarHBondContact O-OG 3.44Å; R389-S392 PolarHBondContact O-N 2.66Å; S392-H394 PolarHBondContact O-N 2.98Å; S392-R395 WeakPolarHBondContact O-CA 3.26Å; S392-R395 PolarHBondContact O-N 3.26Å
393	D	95.8	Very high	95.2	Very high	39 Å²	39	22 Å²	22	21%	0.209	11%	0.106	C	C	.	.	T	Hydrogen-bonded Turn	trans	-55.5	-31.4	170.9	-171.3	66.2	0	0	0	112.4	H290 L294 W311 R389 I391 R395	H290-D393 IonicContact CD2-OD2 3.25Å; H290-D393 IonicContact CE1-OD1 2.93Å; H290-D393 PolarHBondContact CE1-OD1 3.07Å; H290-D393 IonicContact CE1-OD2 2.69Å; H290-D393 VanDerWaalsContact NE2-CG 3.28Å; H290-D393 IonicContact NE2-OD1 2.66Å; H290-D393 PolarHBondContact NE2-OD1 2.83Å; H290-D393 VanDerWaalsContact NE2-OD1 3.1Å; H290-D393 IonicContact NE2-OD2 3.8Å; H290-D393 PolarHBondContact NE2-OD2 3.3Å; L294-D393 HydrophobicContact CD1-CB 3.68Å; L294-D393 VanDerWaalsContact CD1-CG 3.5Å; L294-D393 HydrophobicContact CD2-CB 4.11Å; W311-D393 PolarHBondContact NE1-OD2 2.98Å; R389-D393 PolarHBondContact O-N 3.26Å; I391-D393 PolarHBondContact O-N 3.44Å; D393-R395 VanDerWaalsContact C-N 3.29Å; D393-R395 PolarHBondContact O-N 2.99Å
394	H	95.4	Very high	95.7	Very high	32 Å²	32	22 Å²	22	15%	0.148	10%	0.103	C	C	.	.	T	Hydrogen-bonded Turn	trans	-89.4	11.8	175.2	-61.2	-59.4	0	0	0	113.8	W311 S314 K315 I391 S392 L396	W311-H394 AromaticContact CD1-NE2 3.34Å; W311-H394 VanDerWaalsContact CD1-NE2 3.34Å; W311-H394 AromaticContact CD2-NE2 3.74Å; W311-H394 AromaticContact CE2-CE1 3.61Å; W311-H394 AromaticContact CE2-NE2 3.5Å; W311-H394 AromaticContact CG-NE2 3.68Å; W311-H394 AromaticContact CZ2-CE1 3.87Å; W311-H394 AromaticContact NE1-CE1 3.56Å; W311-H394 AromaticContact NE1-NE2 3.22Å; W311-H394 PolarHBondContact NE1-NE2 2.95Å; W311-H394 PolarHBondContact O-NE2 2.76Å; S314-H394 PolarHBondContact OG-CD2 2.92Å; S314-H394 VanDerWaalsContact OG-CD2 3.28Å; K315-H394 PolarHBondContact N-CD2 3.43Å; I391-H394 PolarHBondContact O-N 2.88Å; S392-H394 PolarHBondContact O-N 2.98Å; H394-L396 VanDerWaalsContact C-N 3.27Å; H394-L396 HydrophobicContact CB-CD1 4.17Å; H394-L396 HydrophobicContact CB-CG 4.25Å; H394-L396 PolarHBondContact O-N 3.33Å
395	R	93.8	Very high	95.7	Very high	201 Å²	201	24.1 Å²	24.1	76%	0.758	11%	0.113	S	C	*	.	T	Hydrogen-bonded Turn	trans	58.2	39.8	-178.2	-59.6	174.8	-86.5	-160.1	-7	112.4	S392 D393	S392-R395 WeakPolarHBondContact O-CA 3.26Å; S392-R395 PolarHBondContact O-N 3.26Å; D393-R395 VanDerWaalsContact C-N 3.29Å; D393-R395 PolarHBondContact O-N 2.99Å
396	L	94.4	Very high	95.8	Very high	13 Å²	13	25.7 Å²	25.7	7%	0.068	12%	0.123	C	C	.	.			trans	-106.5	135.7	177.2	-70	174.4	0	0	0	110.5	S314 A337 R338 L340 I391 H394	S314-L396 WeakPolarHBondContact O-CD1 3.42Å; A337-L396 WeakPolarHBondContact O-CD2 3.31Å; R338-L396 WeakPolarHBondContact O-CA 3.15Å; L340-L396 HydrophobicContact CB-CB 4.44Å; L340-L396 HydrophobicContact CB-CD1 4.28Å; L340-L396 HydrophobicContact CD1-CD1 3.86Å; I391-L396 HydrophobicContact CG2-CB 3.52Å; I391-L396 HydrophobicContact CG2-CD1 4.17Å; I391-L396 HydrophobicContact CG2-CG 4.5Å; H394-L396 VanDerWaalsContact C-N 3.27Å; H394-L396 HydrophobicContact CB-CD1 4.17Å; H394-L396 HydrophobicContact CB-CG 4.25Å; H394-L396 PolarHBondContact O-N 3.33Å
397	L	93.9	Very high	96	Very high	71 Å²	71	25.5 Å²	25.5	37%	0.372	12%	0.123	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.7	110.7	166.7	-179.5	68.9	0	0	0	109.4	L184 R338 L340 L399	L184-L397 HydrophobicContact CD2-CD2 3.45Å; L184-L397 VanDerWaalsContact CD2-CD2 3.45Å; R338-L397 PolarHBondContact O-N 3.41Å; L340-L397 PolarHBondContact N-O 3.27Å; L397-L399 HydrophobicContact CD2-CD2 4.07Å; L397-L399 HydrophobicContact CG-CD2 4.16Å
398	V	95.5	Very high	96	Very high	7 Å²	7	25.3 Å²	25.3	4%	0.042	12%	0.121	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-74.9	134.1	171.3	63.6	0	0	0	0	111.6	K43 L340 L342 D388 I391 L400	K43-V398 PolarHBondContact NZ-O 3.38Å; L340-V398 HydrophobicContact CD2-CG2 4.24Å; L340-V398 CarbonylContact O-C 3.59Å; L340-V398 VanDerWaalsContact O-CA 3.3Å; L340-V398 WeakPolarHBondContact O-CA 3.15Å; L342-V398 HydrophobicContact CB-CG2 3.94Å; L342-V398 HydrophobicContact CD2-CG2 4.36Å; D388-V398 HydrophobicContact CB-CG1 4.28Å; D388-V398 WeakPolarHBondContact OD1-CG1 3.3Å; I391-V398 HydrophobicContact CD1-CB 3.97Å; I391-V398 HydrophobicContact CD1-CG2 3.82Å; I391-V398 HydrophobicContact CG2-CB 4.13Å; V398-L400 HydrophobicContact CG2-CD2 4.44Å; V398-L400 HydrophobicContact CG2-CG 4.37Å
399	L	96.7	Very high	96	Very high	15 Å²	15	30.3 Å²	30.3	8%	0.079	14%	0.14	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.8	138.7	176	-64.7	-173.1	0	0	0	110.2	Q180 V339 L340 F341 L342 L397	Q180-L399 HydrophobicContact CB-CD1 4.04Å; Q180-L399 HydrophobicContact CB-CD2 4.19Å; Q180-L399 VanDerWaalsContact OE1-CB 3.28Å; V339-L399 HydrophobicContact CG1-CD1 3.32Å; V339-L399 HydrophobicContact CG1-CG 3.87Å; L340-L399 PolarHBondContact O-N 2.87Å; F341-L399 HydrophobicContact CD1-CB 3.82Å; F341-L399 HydrophobicContact CE1-CB 3.82Å; F341-L399 HydrophobicContact CE1-CD1 3.85Å; F341-L399 HydrophobicContact CE2-CD1 3.88Å; F341-L399 HydrophobicContact CG-CB 4.3Å; F341-L399 HydrophobicContact CZ-CB 4.29Å; F341-L399 HydrophobicContact CZ-CD1 3.5Å; F341-L399 VanDerWaalsContact CZ-CD1 3.5Å; L342-L399 PolarHBondContact N-O 3.33Å; L397-L399 HydrophobicContact CD2-CD2 4.07Å; L397-L399 HydrophobicContact CG-CD2 4.16Å
400	L	97.7	Very high	96	Very high	8 Å²	8	31.5 Å²	31.5	4%	0.042	15%	0.145	C	C	.	.			trans	-130.4	82.2	-169.6	-67.3	165.3	0	0	0	110.1	R42 Q180 L342 L384 V398 Y402 L403	R42-L400 HydrophobicContact CB-CD1 3.85Å; R42-L400 HydrophobicContact CG-CD1 3.89Å; Q180-L400 PolarHBondContact NE2-O 3.08Å; Q180-L400 VanDerWaalsContact NE2-O 3.14Å; L342-L400 HydrophobicContact CB-CD2 3.85Å; L342-L400 HydrophobicContact CD2-CD2 4.1Å; L342-L400 HydrophobicContact CG-CD2 4.22Å; L384-L400 HydrophobicContact CD1-CD1 4.33Å; L384-L400 HydrophobicContact CD2-CD1 4.19Å; L384-L400 HydrophobicContact CD2-CD2 4.47Å; V398-L400 HydrophobicContact CG2-CD2 4.44Å; V398-L400 HydrophobicContact CG2-CG 4.37Å; L400-Y402 VanDerWaalsContact C-N 3.31Å; L400-Y402 PolarHBondContact O-N 3.44Å; L400-L403 HydrophobicContact CB-CB 4.21Å; L400-L403 HydrophobicContact CB-CD1 4.42Å; L400-L403 HydrophobicContact CD1-CD1 4.21Å; L400-L403 PolarHBondContact O-N 2.92Å; L400-L403 VanDerWaalsContact O-N 3.08Å
401	P	98	Very high	96	Very high	0 Å²	0	31.5 Å²	31.5	0%	0	15%	0.145	C	C	.	.	G	3₁₀ helix	trans	-58	-39.8	-175.2	-29.1	38.1	0	0	0	114.1	L173 S176 I177 V215 F341 L403 H404	L173-P401 HydrophobicContact CD1-CB 3.63Å; S176-P401 WeakPolarHBondContact CB-O 3.49Å; I177-P401 HydrophobicContact CG1-CB 3.76Å; I177-P401 HydrophobicContact CG1-CG 3.75Å; V215-P401 HydrophobicContact CG1-CG 4.16Å; V215-P401 HydrophobicContact CG2-CB 4.46Å; V215-P401 HydrophobicContact CG2-CG 4.28Å; F341-P401 HydrophobicContact CD1-CG 3.47Å; F341-P401 VanDerWaalsContact CD1-CG 3.47Å; F341-P401 HydrophobicContact CE1-CG 3.78Å; P401-L403 PolarHBondContact O-N 3.16Å; P401-H404 PolarHBondContact O-N 3.4Å
402	Y	98.4	Very high	95.9	Very high	0 Å²	0	31.8 Å²	31.8	0%	0	15%	0.146	C	C	.	.	G	3₁₀ helix	trans	-66.3	-19	179.5	-70.1	-71.7	0	0	0	113.6	L173 D211 V215 A346 L349 F350 L400 F407 V408 L434	L173-Y402 HydrophobicContact CD1-CD1 4.08Å; L173-Y402 HydrophobicContact CD1-CE1 4.22Å; L173-Y402 HydrophobicContact CD1-CG 4.46Å; L173-Y402 HydrophobicContact CD2-CD1 4.35Å; L173-Y402 HydrophobicContact CD2-CE1 3.68Å; D211-Y402 WeakPolarHBondContact CA-OH 3.26Å; D211-Y402 HydrophobicContact CB-CE2 4.19Å; D211-Y402 PolarHBondContact O-OH 3.12Å; V215-Y402 HydrophobicContact CG2-CD2 4.08Å; V215-Y402 HydrophobicContact CG2-CE2 3.43Å; V215-Y402 VanDerWaalsContact CG2-CE2 3.43Å; A346-Y402 HydrophobicContact CB-CD1 4Å; A346-Y402 HydrophobicContact CB-CD2 3.84Å; A346-Y402 HydrophobicContact CB-CE1 3.99Å; A346-Y402 HydrophobicContact CB-CE2 3.82Å; A346-Y402 HydrophobicContact CB-CG 3.92Å; L349-Y402 WeakPolarHBondContact CD1-O 2.89Å; F350-Y402 HydrophobicContact CE2-CD1 4.08Å; F350-Y402 HydrophobicContact CE2-CE1 4.26Å; L400-Y402 VanDerWaalsContact C-N 3.31Å; L400-Y402 PolarHBondContact O-N 3.44Å; Y402-F407 AromaticContact CD1-CE1 3.66Å; Y402-F407 HydrophobicContact CD1-CE1 3.66Å; Y402-F407 AromaticContact CD1-CZ 3.83Å; Y402-F407 HydrophobicContact CD1-CZ 3.83Å; Y402-F407 HydrophobicContact CE1-CZ 4.27Å; Y402-F407 HydrophobicContact CG-CE1 4.46Å; Y402-F407 VanDerWaalsContact O-CD1 3.26Å; Y402-F407 WeakPolarHBondContact O-CD1 3.36Å; Y402-V408 WeakPolarHBondContact O-CG2 3.4Å; Y402-L434 HydrophobicContact CE1-CD1 4.1Å; Y402-L434 HydrophobicContact CE1-CD2 4.34Å
403	L	97.2	Very high	95.9	Very high	0 Å²	0	33.6 Å²	33.6	0%	0	16%	0.159	C	C	.	.	G	3₁₀ helix	trans	-108.5	18.8	-177.9	-63	174.5	0	0	0	112.3	F40 R42 L376 I379 L384 L400 P401	F40-L403 HydrophobicContact CD1-CD2 4.09Å; F40-L403 HydrophobicContact CE1-CD2 4.38Å; R42-L403 VanDerWaalsContact CZ-O 3.28Å; R42-L403 PolarHBondContact NE-O 2.76Å; R42-L403 PolarHBondContact NH2-O 3.44Å; L376-L403 HydrophobicContact CD1-CD2 4Å; I379-L403 HydrophobicContact CD1-CD1 4.11Å; I379-L403 HydrophobicContact CD1-CD2 4.35Å; L384-L403 HydrophobicContact CD1-CD1 3.38Å; L384-L403 HydrophobicContact CD2-CD1 4.23Å; L384-L403 HydrophobicContact CG-CD1 4.44Å; L400-L403 HydrophobicContact CB-CB 4.21Å; L400-L403 HydrophobicContact CB-CD1 4.42Å; L400-L403 HydrophobicContact CD1-CD1 4.21Å; L400-L403 PolarHBondContact O-N 2.92Å; L400-L403 VanDerWaalsContact O-N 3.08Å; P401-L403 PolarHBondContact O-N 3.16Å
404	H	96	Very high	95.8	Very high	27 Å²	27	32.1 Å²	32.1	13%	0.125	15%	0.151	C	C	.	.			trans	-71.5	133.5	168.6	-170.5	-88.4	0	0	0	109.8	S176 P401 S406 F407 V408	S176-H404 WeakPolarHBondContact OG-CB 3.36Å; P401-H404 PolarHBondContact O-N 3.4Å; H404-S406 VanDerWaalsContact C-N 3.31Å; H404-S406 PolarHBondContact CE1-OG 3.25Å; H404-S406 PolarHBondContact ND1-OG 3.01Å; H404-S406 PolarHBondContact O-N 2.62Å; H404-F407 HydrophobicContact CB-CB 4.38Å; H404-F407 PolarHBondContact O-N 3.16Å; H404-V408 PolarHBondContact O-N 3.05Å
405	E	94	Very high	95.8	Very high	48 Å²	48	32.4 Å²	32.4	22%	0.224	16%	0.156	C	C	.	.	H	α-helix	trans	-55.2	-44.8	-169.6	-67.3	79.9	-178.4	0	0	112	F40 R42 L130 F407 V408 R409	F40-E405 HydrophobicContact CE2-CG 4.39Å; R42-E405 IonicContact CZ-OE1 3.81Å; R42-E405 IonicContact NH1-OE1 3.89Å; R42-E405 PolarHBondContact NH1-OE1 2.83Å; R42-E405 VanDerWaalsContact NH1-OE1 3.13Å; R42-E405 IonicContact NH2-OE1 2.9Å; R42-E405 PolarHBondContact NH2-OE1 3.39Å; R42-E405 IonicContact NH2-OE2 3.82Å; R42-E405 PolarHBondContact NH2-OE2 3.45Å; L130-E405 HydrophobicContact CD1-CB 4.33Å; L130-E405 HydrophobicContact CD1-CG 4.02Å; L130-E405 HydrophobicContact CD2-CB 4.34Å; L130-E405 WeakPolarHBondContact CD2-O 3.11Å; E405-F407 VanDerWaalsContact C-N 3.34Å; E405-F407 PolarHBondContact O-N 3.48Å; E405-V408 PolarHBondContact O-N 3.38Å; E405-R409 WeakPolarHBondContact O-CB 2.91Å; E405-R409 PolarHBondContact O-N 2.86Å
406	S	93.9	Very high	95.8	Very high	34 Å²	34	22.9 Å²	22.9	24%	0.238	12%	0.12	C	C	.	.	H	α-helix	trans	-66	-35.2	179.7	66.7	0	0	0	0	113	H404 Y410	H404-S406 VanDerWaalsContact C-N 3.31Å; H404-S406 PolarHBondContact CE1-OG 3.25Å; H404-S406 PolarHBondContact ND1-OG 3.01Å; H404-S406 PolarHBondContact O-N 2.62Å; S406-Y410 PolarHBondContact O-N 3.1Å; S406-Y410 VanDerWaalsContact O-N 3.16Å
407	F	97.6	Very high	95.7	Very high	0 Å²	0	23.1 Å²	23.1	0%	0	13%	0.125	C	C	.	.	H	α-helix	trans	-72.5	-44.3	177.3	174.7	-93.7	0	0	0	110.7	L169 F172 L173 S176 L349 F350 Y402 H404 E405 R409 Y410 V411	L169-F407 HydrophobicContact CD1-CE2 3.6Å; L169-F407 HydrophobicContact CD1-CZ 3.78Å; L169-F407 HydrophobicContact CG-CE2 4.37Å; F172-F407 HydrophobicContact CB-CD2 3.83Å; L173-F407 HydrophobicContact CB-CD2 3.92Å; L173-F407 HydrophobicContact CB-CE2 3.6Å; L173-F407 HydrophobicContact CB-CZ 4.36Å; L173-F407 HydrophobicContact CD1-CD2 4.2Å; L173-F407 HydrophobicContact CD1-CE1 4.39Å; L173-F407 HydrophobicContact CD1-CE2 3.99Å; L173-F407 HydrophobicContact CD1-CG 4.5Å; L173-F407 HydrophobicContact CD1-CZ 4.06Å; L173-F407 HydrophobicContact CG-CE2 4.23Å; S176-F407 VanDerWaalsContact OG-CB 3.31Å; S176-F407 WeakPolarHBondContact OG-CB 3.39Å; L349-F407 HydrophobicContact CD1-CD1 4.49Å; L349-F407 HydrophobicContact CD1-CE1 4.1Å; F350-F407 HydrophobicContact CE2-CE1 4.11Å; F350-F407 HydrophobicContact CE2-CZ 4.02Å; F350-F407 HydrophobicContact CZ-CE1 4.12Å; F350-F407 AromaticContact CZ-CZ 3.75Å; F350-F407 HydrophobicContact CZ-CZ 3.75Å; Y402-F407 AromaticContact CD1-CE1 3.66Å; Y402-F407 HydrophobicContact CD1-CE1 3.66Å; Y402-F407 AromaticContact CD1-CZ 3.83Å; Y402-F407 HydrophobicContact CD1-CZ 3.83Å; Y402-F407 HydrophobicContact CE1-CZ 4.27Å; Y402-F407 HydrophobicContact CG-CE1 4.46Å; Y402-F407 VanDerWaalsContact O-CD1 3.26Å; Y402-F407 WeakPolarHBondContact O-CD1 3.36Å; H404-F407 HydrophobicContact CB-CB 4.38Å; H404-F407 PolarHBondContact O-N 3.16Å; E405-F407 VanDerWaalsContact C-N 3.34Å; E405-F407 PolarHBondContact O-N 3.48Å; F407-R409 PolarHBondContact O-N 3.23Å; F407-Y410 PolarHBondContact O-N 2.66Å; F407-V411 HydrophobicContact CD1-CG2 4.03Å; F407-V411 HydrophobicContact CD2-CG2 4.19Å; F407-V411 HydrophobicContact CE1-CG2 3.65Å; F407-V411 HydrophobicContact CE2-CG2 3.81Å; F407-V411 HydrophobicContact CG-CG2 4.31Å; F407-V411 HydrophobicContact CZ-CG2 3.55Å; F407-V411 WeakPolarHBondContact O-CB 3.28Å; F407-V411 VanDerWaalsContact O-CG2 3.25Å; F407-V411 WeakPolarHBondContact O-CG2 3.42Å; F407-V411 PolarHBondContact O-N 2.93Å
408	V	96.9	Very high	95.8	Very high	0 Å²	0	20.1 Å²	20.1	0%	0	11%	0.11	C	C	.	.	H	α-helix	trans	-60.6	-45.8	176	175.7	0	0	0	0	110.9	F40 L130 L349 L376 Y402 H404 E405 Y410 V411 N412	F40-V408 HydrophobicContact CE1-CG1 4.18Å; F40-V408 HydrophobicContact CE1-CG2 4.22Å; F40-V408 HydrophobicContact CE2-CG2 4.44Å; F40-V408 HydrophobicContact CZ-CB 3.99Å; F40-V408 HydrophobicContact CZ-CG1 3.85Å; F40-V408 HydrophobicContact CZ-CG2 3.76Å; L130-V408 HydrophobicContact CB-CG1 4.4Å; L130-V408 WeakPolarHBondContact O-CG1 3.32Å; L349-V408 HydrophobicContact CD1-CG2 4.19Å; L349-V408 HydrophobicContact CD2-CG1 4.1Å; L349-V408 HydrophobicContact CD2-CG2 4.38Å; L376-V408 HydrophobicContact CD2-CG1 4.25Å; Y402-V408 WeakPolarHBondContact O-CG2 3.4Å; H404-V408 PolarHBondContact O-N 3.05Å; E405-V408 PolarHBondContact O-N 3.38Å; V408-Y410 VanDerWaalsContact C-N 3.35Å; V408-Y410 PolarHBondContact O-N 3.14Å; V408-V411 PolarHBondContact O-N 2.97Å; V408-N412 VanDerWaalsContact O-CB 3.31Å; V408-N412 WeakPolarHBondContact O-CB 3.17Å; V408-N412 PolarHBondContact O-N 3.11Å
409	R	95.4	Very high	95.8	Very high	108 Å²	108	19.8 Å²	19.8	41%	0.408	11%	0.108	S	C	.	.	H	α-helix	trans	-56	-49	177	-173.3	178.6	-71	108.9	-5.4	111.6	L130 E405 F407 N412 S413	L130-R409 HydrophobicContact CD2-CB 3.97Å; E405-R409 WeakPolarHBondContact O-CB 2.91Å; E405-R409 PolarHBondContact O-N 2.86Å; F407-R409 PolarHBondContact O-N 3.23Å; R409-N412 PolarHBondContact O-N 3.41Å; R409-S413 PolarHBondContact O-N 2.88Å; R409-S413 VanDerWaalsContact O-N 3.1Å
410	Y	96.3	Very high	95.8	Very high	27 Å²	27	19 Å²	19	11%	0.106	10%	0.104	C	C	.	.	H	α-helix	trans	-60.8	-52.7	176.6	169.6	-109	0	0	0	111.6	E165 K168 L169 F172 S406 F407 V408 N412 S413 I414	E165-Y410 PolarHBondContact O-OH 3.34Å; K168-Y410 HydrophobicContact CB-CE1 4.2Å; K168-Y410 HydrophobicContact CB-CE2 4.05Å; K168-Y410 WeakPolarHBondContact CB-OH 3.39Å; K168-Y410 HydrophobicContact CD-CE2 4.34Å; L169-Y410 HydrophobicContact CB-CE1 4.06Å; L169-Y410 HydrophobicContact CD1-CE1 4.45Å; F172-Y410 HydrophobicContact CB-CD1 4.18Å; F172-Y410 AromaticContact CD2-CD1 3.52Å; F172-Y410 HydrophobicContact CD2-CD1 3.52Å; F172-Y410 AromaticContact CD2-CD2 3.89Å; F172-Y410 HydrophobicContact CD2-CD2 3.89Å; F172-Y410 AromaticContact CD2-CE1 3.97Å; F172-Y410 HydrophobicContact CD2-CE1 3.97Å; F172-Y410 HydrophobicContact CD2-CE2 4.32Å; F172-Y410 AromaticContact CD2-CG 3.47Å; F172-Y410 HydrophobicContact CD2-CG 3.47Å; F172-Y410 VanDerWaalsContact CD2-CG 3.47Å; F172-Y410 HydrophobicContact CE2-CD1 4.12Å; F172-Y410 AromaticContact CE2-CD2 3.6Å; F172-Y410 HydrophobicContact CE2-CD2 3.6Å; F172-Y410 HydrophobicContact CE2-CE2 4.13Å; F172-Y410 AromaticContact CE2-CG 3.6Å; F172-Y410 HydrophobicContact CE2-CG 3.6Å; F172-Y410 AromaticContact CG-CD1 3.97Å; F172-Y410 HydrophobicContact CG-CD1 3.97Å; F172-Y410 HydrophobicContact CG-CG 4.02Å; F172-Y410 HydrophobicContact CZ-CD2 4.28Å; F172-Y410 HydrophobicContact CZ-CG 4.22Å; S406-Y410 PolarHBondContact O-N 3.1Å; S406-Y410 VanDerWaalsContact O-N 3.16Å; F407-Y410 PolarHBondContact O-N 2.66Å; V408-Y410 VanDerWaalsContact C-N 3.35Å; V408-Y410 PolarHBondContact O-N 3.14Å; Y410-N412 PolarHBondContact O-N 3Å; Y410-S413 WeakPolarHBondContact O-CB 3.35Å; Y410-S413 PolarHBondContact O-N 3.31Å; Y410-S413 PolarHBondContact O-OG 3.27Å; Y410-I414 HydrophobicContact CD1-CD1 4.2Å; Y410-I414 HydrophobicContact CE1-CD1 3.51Å; Y410-I414 HydrophobicContact CE1-CG1 4.36Å; Y410-I414 HydrophobicContact CE2-CD1 4.14Å; Y410-I414 HydrophobicContact CE2-CG1 4.13Å; Y410-I414 VanDerWaalsContact CZ-CD1 3.45Å; Y410-I414 PolarHBondContact O-N 2.91Å; Y410-I414 WeakPolarHBondContact OH-CD1 3.49Å
411	V	97.1	Very high	95.6	Very high	0 Å²	0	19.7 Å²	19.7	0%	0	11%	0.108	C	C	.	.	H	α-helix	trans	-60.4	-34.2	-177.5	168.5	0	0	0	0	112.3	L169 L349 F350 F407 V408 K419	L169-V411 HydrophobicContact CD1-CG2 3.76Å; L349-V411 HydrophobicContact CB-CG1 4.23Å; L349-V411 HydrophobicContact CD2-CG1 4.3Å; F350-V411 HydrophobicContact CD1-CG1 4.37Å; F350-V411 HydrophobicContact CE1-CG1 3.58Å; F350-V411 HydrophobicContact CE1-CG2 4.13Å; F350-V411 HydrophobicContact CE2-CG1 4.26Å; F350-V411 HydrophobicContact CZ-CB 4.24Å; F350-V411 HydrophobicContact CZ-CG1 3.51Å; F350-V411 HydrophobicContact CZ-CG2 3.6Å; F407-V411 HydrophobicContact CD1-CG2 4.03Å; F407-V411 HydrophobicContact CD2-CG2 4.19Å; F407-V411 HydrophobicContact CE1-CG2 3.65Å; F407-V411 HydrophobicContact CE2-CG2 3.81Å; F407-V411 HydrophobicContact CG-CG2 4.31Å; F407-V411 HydrophobicContact CZ-CG2 3.55Å; F407-V411 WeakPolarHBondContact O-CB 3.28Å; F407-V411 VanDerWaalsContact O-CG2 3.25Å; F407-V411 WeakPolarHBondContact O-CG2 3.42Å; F407-V411 PolarHBondContact O-N 2.93Å; V408-V411 PolarHBondContact O-N 2.97Å; V411-K419 HydrophobicContact CG1-CD 4.41Å; V411-K419 WeakPolarHBondContact O-CD 3.21Å; V411-K419 PolarHBondContact O-NZ 3.01Å
412	N	95.5	Very high	95.5	Very high	6 Å²	6	20.2 Å²	20.2	3%	0.032	11%	0.11	C	C	.	.	H	α-helix	trans	-81.3	-17.2	177.8	-78.5	-11.1	0	0	0	113.6	L130 S132 N134 V408 R409 Y410 K419	L130-N412 PolarHBondContact O-ND2 3.43Å; S132-N412 WeakPolarHBondContact O-CB 3.37Å; N134-N412 WeakPolarHBondContact CB-O 3.4Å; N134-N412 PolarHBondContact N-O 2.77Å; V408-N412 VanDerWaalsContact O-CB 3.31Å; V408-N412 WeakPolarHBondContact O-CB 3.17Å; V408-N412 PolarHBondContact O-N 3.11Å; R409-N412 PolarHBondContact O-N 3.41Å; Y410-N412 PolarHBondContact O-N 3Å; N412-K419 PolarHBondContact OD1-NZ 3.06Å
413	S	94.5	Very high	95.3	Very high	70 Å²	70	24.3 Å²	24.3	49%	0.49	14%	0.139	S	C	.	.	H	α-helix	trans	-76.1	-22.6	168.9	75	0	0	0	0	113.8	N134 R409 Y410	N134-S413 PolarHBondContact ND2-O 2.87Å; R409-S413 PolarHBondContact O-N 2.88Å; R409-S413 VanDerWaalsContact O-N 3.1Å; Y410-S413 WeakPolarHBondContact O-CB 3.35Å; Y410-S413 PolarHBondContact O-N 3.31Å; Y410-S413 PolarHBondContact O-OG 3.27Å
414	I	94.2	Very high	95.1	Very high	7 Å²	7	26.1 Å²	26.1	4%	0.036	15%	0.148	C	C	.	.	S	Bend	trans	-74.6	135	-179.9	-57.4	167.7	0	0	0	109.7	Y410 L416 V418 K419 I433	Y410-I414 HydrophobicContact CD1-CD1 4.2Å; Y410-I414 HydrophobicContact CE1-CD1 3.51Å; Y410-I414 HydrophobicContact CE1-CG1 4.36Å; Y410-I414 HydrophobicContact CE2-CD1 4.14Å; Y410-I414 HydrophobicContact CE2-CG1 4.13Å; Y410-I414 VanDerWaalsContact CZ-CD1 3.45Å; Y410-I414 PolarHBondContact O-N 2.91Å; Y410-I414 WeakPolarHBondContact OH-CD1 3.49Å; I414-L416 PolarHBondContact O-N 3.01Å; I414-V418 HydrophobicContact CG2-CB 3.69Å; I414-V418 HydrophobicContact CG2-CG1 3.83Å; I414-V418 HydrophobicContact CG2-CG2 4.4Å; I414-K419 HydrophobicContact CB-CG 4.39Å; I414-K419 HydrophobicContact CG2-CG 4.24Å; I414-I433 HydrophobicContact CD1-CD1 4.32Å
415	P	94.6	Very high	95	Very high	39 Å²	39	28.3 Å²	28.3	25%	0.253	17%	0.171	S	C	.	.			trans	-51.1	135.7	173.4	-28.2	35.9	0	0	0	113	T136 G417 V418	T136-P415 WeakPolarHBondContact O-CB 3.37Å; P415-G417 PolarHBondContact O-N 3.1Å; P415-G417 VanDerWaalsContact O-N 3.14Å; P415-V418 HydrophobicContact CB-CG2 4.26Å; P415-V418 WeakPolarHBondContact O-CB 3.43Å; P415-V418 PolarHBondContact O-N 3.12Å
416	L	94.4	Very high	95	Very high	1 Å²	1	32.6 Å²	32.6	1%	0.005	19%	0.185	C	C	.	.	H	α-helix	trans	-58.1	-33.7	-174.1	-170.7	54.1	0	0	0	113.9	V133 N134 Y365 L368 A369 L372 I414 V418 K419 T420	V133-L416 HydrophobicContact CG1-CD1 4.18Å; V133-L416 HydrophobicContact CG1-CD2 4.38Å; N134-L416 PolarHBondContact O-N 3.21Å; Y365-L416 HydrophobicContact CD1-CB 4.08Å; Y365-L416 HydrophobicContact CD1-CD2 3.88Å; Y365-L416 HydrophobicContact CD1-CG 3.78Å; Y365-L416 HydrophobicContact CE1-CG 4.27Å; L368-L416 HydrophobicContact CB-CD2 4.25Å; L368-L416 HydrophobicContact CD2-CD1 4.48Å; L368-L416 HydrophobicContact CD2-CD2 3.83Å; L368-L416 HydrophobicContact CD2-CG 4.19Å; L368-L416 HydrophobicContact CG-CD2 3.9Å; A369-L416 HydrophobicContact CB-CD2 4.08Å; L372-L416 HydrophobicContact CD1-CD1 3.76Å; L372-L416 HydrophobicContact CD1-CD2 4.4Å; I414-L416 PolarHBondContact O-N 3.01Å; L416-V418 PolarHBondContact O-N 3.28Å; L416-K419 HydrophobicContact CD1-CB 4.41Å; L416-K419 HydrophobicContact CD1-CD 4.18Å; L416-K419 WeakPolarHBondContact O-CB 3.5Å; L416-K419 PolarHBondContact O-N 3.11Å; L416-T420 HydrophobicContact CD1-CG2 4.09Å; L416-T420 HydrophobicContact CG-CG2 4.38Å; L416-T420 PolarHBondContact O-N 3.14Å; L416-T420 VanDerWaalsContact O-N 3.1Å
417	G	93	Very high	95	Very high	17 Å²	17	31.2 Å²	31.2	18%	0.175	18%	0.176	C	C	.	.	H	α-helix	trans	-66.7	-18.2	175.9	0	0	0	0	0	114.9	P415 T420	P415-G417 PolarHBondContact O-N 3.1Å; P415-G417 VanDerWaalsContact O-N 3.14Å; G417-T420 WeakPolarHBondContact CA-O 3.49Å
418	V	95	Very high	94.8	Very high	8 Å²	8	31.6 Å²	31.6	5%	0.048	18%	0.178	C	C	.	.	H	α-helix	trans	-83.6	-27.7	171.4	-179.5	0	0	0	0	110.2	F158 N162 E165 I414 P415 L416 I433	F158-V418 HydrophobicContact CZ-CG1 4.21Å; F158-V418 WeakPolarHBondContact CZ-O 3.44Å; N162-V418 HydrophobicContact CB-CG1 4.23Å; E165-V418 HydrophobicContact CB-CG1 4.38Å; E165-V418 HydrophobicContact CG-CG1 4.5Å; I414-V418 HydrophobicContact CG2-CB 3.69Å; I414-V418 HydrophobicContact CG2-CG1 3.83Å; I414-V418 HydrophobicContact CG2-CG2 4.4Å; P415-V418 HydrophobicContact CB-CG2 4.26Å; P415-V418 WeakPolarHBondContact O-CB 3.43Å; P415-V418 PolarHBondContact O-N 3.12Å; L416-V418 PolarHBondContact O-N 3.28Å; V418-I433 HydrophobicContact CG1-CD1 4.28Å; V418-I433 WeakPolarHBondContact O-CB 3.11Å
419	K	95.8	Very high	94.7	Very high	0 Å²	0	31.6 Å²	31.6	0%	0	18%	0.178	C	C	.	.	H	α-helix	trans	-77.2	-37.5	180	-61.2	169	61	174.2	0	111.8	L349 F350 V411 N412 I414 L416 L432 I433	L349-K419 WeakPolarHBondContact O-CE 3.39Å; L349-K419 PolarHBondContact O-NZ 2.86Å; F350-K419 HydrophobicContact CD1-CB 4.27Å; V411-K419 HydrophobicContact CG1-CD 4.41Å; V411-K419 WeakPolarHBondContact O-CD 3.21Å; V411-K419 PolarHBondContact O-NZ 3.01Å; N412-K419 PolarHBondContact OD1-NZ 3.06Å; I414-K419 HydrophobicContact CB-CG 4.39Å; I414-K419 HydrophobicContact CG2-CG 4.24Å; L416-K419 HydrophobicContact CD1-CB 4.41Å; L416-K419 HydrophobicContact CD1-CD 4.18Å; L416-K419 WeakPolarHBondContact O-CB 3.5Å; L416-K419 PolarHBondContact O-N 3.11Å; K419-L432 PolarHBondContact O-N 2.8Å; K419-L432 VanDerWaalsContact O-N 3.14Å; K419-I433 PolarHBondContact O-N 3.18Å
420	T	95.7	Very high	94.8	Very high	0 Å²	0	26.8 Å²	26.8	0%	0	16%	0.16	C	C	.	.			trans	-156.7	147.5	-172.9	-171.6	0	0	0	0	111.1	A351 Y365 L368 L416 G417 L422 G429	A351-T420 HydrophobicContact CB-CG2 3.79Å; Y365-T420 PolarHBondContact OH-O 3.18Å; L368-T420 HydrophobicContact CD2-CG2 3.98Å; L416-T420 HydrophobicContact CD1-CG2 4.09Å; L416-T420 HydrophobicContact CG-CG2 4.38Å; L416-T420 PolarHBondContact O-N 3.14Å; L416-T420 VanDerWaalsContact O-N 3.1Å; G417-T420 WeakPolarHBondContact CA-O 3.49Å; T420-L422 HydrophobicContact CG2-CG 4.37Å; T420-L422 WeakPolarHBondContact OG1-CD2 3.38Å; T420-G429 WeakPolarHBondContact CA-O 3.3Å; T420-G429 PolarHBondContact OG1-O 3.08Å
421	D	95.3	Very high	94.8	Very high	22 Å²	22	25.5 Å²	25.5	12%	0.118	16%	0.155	C	C	.	.			trans	-129	95.3	165.9	-179.5	-4.1	0	0	0	109.4	S423 L424 G429 L432	D421-S423 PolarHBondContact O-N 3.45Å; D421-S423 VanDerWaalsContact OD1-CB 3.28Å; D421-S423 WeakPolarHBondContact OD1-CB 3.4Å; D421-S423 PolarHBondContact OD1-N 3.39Å; D421-S423 PolarHBondContact OD1-OG 2.93Å; D421-S423 PolarHBondContact OD2-OG 2.76Å; D421-L424 HydrophobicContact CB-CD1 3.99Å; D421-L424 HydrophobicContact CB-CG 4.16Å; D421-L424 WeakPolarHBondContact O-CB 3.25Å; D421-L424 PolarHBondContact O-N 3.39Å; D421-G429 PolarHBondContact N-O 2.81Å; D421-G429 CarbonylContact O-C 3.59Å; D421-G429 WeakPolarHBondContact O-CA 3.42Å; D421-L432 HydrophobicContact CB-CD2 4.13Å
422	L	95.3	Very high	94.8	Very high	11 Å²	11	25.8 Å²	25.8	6%	0.058	16%	0.157	C	C	.	.	T	Hydrogen-bonded Turn	trans	-77.8	0.6	-174.8	-61.5	-173.9	0	0	0	113.8	A351 H356 R357 F360 L368 T420 L424 D430	A351-L422 HydrophobicContact CB-CD1 4.21Å; H356-L422 HydrophobicContact CB-CD1 3.92Å; H356-L422 WeakPolarHBondContact O-CD1 3.43Å; R357-L422 HydrophobicContact CG-CB 4.19Å; R357-L422 HydrophobicContact CG-CD1 4.05Å; R357-L422 HydrophobicContact CG-CD2 3.86Å; R357-L422 HydrophobicContact CG-CG 4.26Å; R357-L422 PolarHBondContact NH1-O 2.82Å; F360-L422 HydrophobicContact CB-CB 4.07Å; F360-L422 HydrophobicContact CB-CD1 3.83Å; F360-L422 HydrophobicContact CD1-CB 3.62Å; F360-L422 HydrophobicContact CD2-CB 4.35Å; F360-L422 HydrophobicContact CE1-CB 4.11Å; F360-L422 HydrophobicContact CG-CB 3.75Å; F360-L422 HydrophobicContact CG-CD1 4.32Å; L368-L422 HydrophobicContact CD1-CD1 4.07Å; L368-L422 HydrophobicContact CD2-CD1 3.74Å; L368-L422 HydrophobicContact CD2-CG 4.41Å; T420-L422 HydrophobicContact CG2-CG 4.37Å; T420-L422 WeakPolarHBondContact OG1-CD2 3.38Å; L422-L424 VanDerWaalsContact C-N 3.35Å; L422-D430 HydrophobicContact CD2-CB 4.06Å
423	S	93.4	Very high	95	Very high	86 Å²	86	25.5 Å²	25.5	60%	0.601	16%	0.155	S	C	*	.	T	Hydrogen-bonded Turn	trans	-74.5	-27.7	166.5	78.8	0	0	0	0	112.1	D421	D421-S423 PolarHBondContact O-N 3.45Å; D421-S423 VanDerWaalsContact OD1-CB 3.28Å; D421-S423 WeakPolarHBondContact OD1-CB 3.4Å; D421-S423 PolarHBondContact OD1-N 3.39Å; D421-S423 PolarHBondContact OD1-OG 2.93Å; D421-S423 PolarHBondContact OD2-OG 2.76Å
424	L	93.9	Very high	95.1	Very high	38 Å²	38	22.2 Å²	22.2	20%	0.199	13%	0.132	C	C	.	.	S	Bend	trans	-75.1	160.4	176.1	-59	176.9	0	0	0	111.9	L154 R357 D421 L422 L428	L154-L424 HydrophobicContact CD1-CD2 4.29Å; R357-L424 PolarHBondContact NH1-O 3.29Å; R357-L424 PolarHBondContact NH2-O 3.4Å; D421-L424 HydrophobicContact CB-CD1 3.99Å; D421-L424 HydrophobicContact CB-CG 4.16Å; D421-L424 WeakPolarHBondContact O-CB 3.25Å; D421-L424 PolarHBondContact O-N 3.39Å; L422-L424 VanDerWaalsContact C-N 3.35Å; L424-L428 HydrophobicContact CB-CD2 4.31Å; L424-L428 HydrophobicContact CB-CG 4.35Å; L424-L428 HydrophobicContact CD1-CD2 3.98Å; L424-L428 HydrophobicContact CD1-CG 3.99Å
425	A	93.5	Very high	95.3	Very high	73 Å²	73	21.9 Å²	21.9	60%	0.603	13%	0.13	S	C	*	.	P	Polyproline II helix	trans	-56.4	156.5	179.8	0	0	0	0	0	113.4	R357 L428 G429	R357-A425 PolarHBondContact NH2-O 3.44Å; A425-L428 PolarHBondContact O-N 3.46Å; A425-G429 PolarHBondContact O-N 2.99Å
426	R	93.7	Very high	95.5	Very high	138 Å²	138	20 Å²	20	52%	0.521	12%	0.118	S	C	.	.	T	Hydrogen-bonded Turn	trans	-60.1	136.5	172	-68.2	175.3	63.3	-164.5	1.4	110.2	M354 L428 L450	M354-R426 HydrophobicContact SD-CG 4.42Å; M354-R426 PolarHBondContact SD-NE 2.77Å; R426-L428 VanDerWaalsContact C-N 3.33Å; R426-L450 HydrophobicContact CB-CD2 4.08Å; R426-L450 WeakPolarHBondContact O-CD2 3.19Å
427	G	93.5	Very high	95.7	Very high	4 Å²	4	20 Å²	20	4%	0.041	12%	0.118	C	C	.	.	T	Hydrogen-bonded Turn	trans	90.1	-3.6	-175.2	0	0	0	0	0	114.2	D430 R435 F448	G427-D430 PolarHBondContact N-OD1 2.97Å; G427-R435 VanDerWaalsContact C-CZ 3.42Å; G427-R435 VanDerWaalsContact O-CD 3.27Å; G427-R435 WeakPolarHBondContact O-CD 3.49Å; G427-R435 PolarHBondContact O-NE 2.88Å; G427-R435 PolarHBondContact O-NH1 3.08Å; G427-R435 VanDerWaalsContact O-NH1 3.14Å; G427-F448 WeakPolarHBondContact O-CA 3.24Å
428	L	94.5	Very high	95.9	Very high	8 Å²	8	19.1 Å²	19.1	4%	0.042	11%	0.11	C	C	.	.	T	Hydrogen-bonded Turn	trans	-126.2	-57.8	172.2	174.2	60	0	0	0	110.6	A151 L154 I155 L424 A425 R426 L432 R435 F448	A151-L428 HydrophobicContact CB-CD2 4.03Å; L154-L428 HydrophobicContact CB-CD2 4.1Å; L154-L428 HydrophobicContact CD1-CD2 3.73Å; I155-L428 HydrophobicContact CB-CD1 4.21Å; L424-L428 HydrophobicContact CB-CD2 4.31Å; L424-L428 HydrophobicContact CB-CG 4.35Å; L424-L428 HydrophobicContact CD1-CD2 3.98Å; L424-L428 HydrophobicContact CD1-CG 3.99Å; A425-L428 PolarHBondContact O-N 3.46Å; R426-L428 VanDerWaalsContact C-N 3.33Å; L428-L432 HydrophobicContact CD1-CD1 3.79Å; L428-L432 HydrophobicContact CG-CD1 4.46Å; L428-L432 WeakPolarHBondContact O-CD1 3.42Å; L428-R435 WeakPolarHBondContact O-CD 3.26Å; L428-F448 HydrophobicContact CD1-CE1 4.1Å
429	G	94.7	Very high	96.1	Very high	0 Å²	0	20.3 Å²	20.3	0%	0	11%	0.113	C	C	.	.	S	Bend	trans	-68.8	-40.2	-171	0	0	0	0	0	115.5	T420 D421 A425	T420-G429 WeakPolarHBondContact CA-O 3.3Å; T420-G429 PolarHBondContact OG1-O 3.08Å; D421-G429 PolarHBondContact N-O 2.81Å; D421-G429 CarbonylContact O-C 3.59Å; D421-G429 WeakPolarHBondContact O-CA 3.42Å; A425-G429 PolarHBondContact O-N 2.99Å
430	D	96	Very high	96.2	Very high	7 Å²	7	23.5 Å²	23.5	4%	0.037	13%	0.13	C	C	.	.	T	Hydrogen-bonded Turn	trans	-70.4	132.7	172.8	51.4	-77.4	0	0	0	110.1	R357 L422 G427 L432 R435	R357-D430 IonicContact CZ-OD1 3.96Å; R357-D430 IonicContact NE-OD1 2.85Å; R357-D430 IonicContact NH2-OD1 3.72Å; R357-D430 PolarHBondContact NH2-OD1 3.18Å; L422-D430 HydrophobicContact CD2-CB 4.06Å; G427-D430 PolarHBondContact N-OD1 2.97Å; D430-L432 PolarHBondContact O-N 3.42Å; D430-R435 PolarHBondContact O-NE 3.25Å; D430-R435 IonicContact OD2-CZ 3.78Å; D430-R435 IonicContact OD2-NE 2.87Å; D430-R435 IonicContact OD2-NH2 3.62Å; D430-R435 PolarHBondContact OD2-NH2 3.3Å
431	K	97.3	Very high	96.2	Very high	0 Å²	0	26.1 Å²	26.1	0%	0	14%	0.144	C	C	.	.	T	Hydrogen-bonded Turn	trans	55.3	32.5	-179.1	-45.3	-177.1	176.8	-161.1	0	114.3	I210 D211 D347 F350 I433 L434 R435	I210-K431 HydrophobicContact CD1-CB 3.72Å; I210-K431 HydrophobicContact CD1-CD 3.54Å; I210-K431 HydrophobicContact CD1-CG 4.23Å; I210-K431 HydrophobicContact CG1-CD 4.14Å; D211-K431 WeakPolarHBondContact OD1-CD 3.21Å; D211-K431 IonicContact OD1-NZ 3.15Å; D211-K431 PolarHBondContact OD1-NZ 3.01Å; D211-K431 IonicContact OD2-NZ 2.77Å; D211-K431 PolarHBondContact OD2-NZ 3.26Å; D347-K431 VanDerWaalsContact CG-NZ 3.33Å; D347-K431 WeakPolarHBondContact OD1-CE 3.1Å; D347-K431 IonicContact OD1-NZ 2.89Å; D347-K431 PolarHBondContact OD1-NZ 2.9Å; D347-K431 IonicContact OD2-NZ 3.67Å; F350-K431 HydrophobicContact CB-CB 4.06Å; F350-K431 HydrophobicContact CB-CG 3.89Å; F350-K431 WeakPolarHBondContact O-CA 3.18Å; F350-K431 WeakPolarHBondContact O-CG 3.44Å; F350-K431 PolarHBondContact O-N 2.99Å; K431-I433 PolarHBondContact O-N 3.25Å; K431-I433 VanDerWaalsContact O-N 3.13Å; K431-L434 HydrophobicContact CB-CB 4.19Å; K431-L434 HydrophobicContact CB-CD1 4.31Å; K431-L434 HydrophobicContact CB-CG 4.28Å; K431-L434 HydrophobicContact CD-CD1 4.28Å; K431-L434 WeakPolarHBondContact O-CA 3.46Å; K431-L434 WeakPolarHBondContact O-CB 3.43Å; K431-L434 PolarHBondContact O-N 2.61Å; K431-R435 WeakPolarHBondContact O-CG 3.26Å; K431-R435 PolarHBondContact O-N 3.06Å
432	L	97.6	Very high	96.3	Very high	7 Å²	7	25.9 Å²	25.9	4%	0.037	15%	0.147	C	C	.	.	H	α-helix	trans	-46.8	-46.8	-173.7	-179.6	57.5	0	0	0	112.7	F158 K419 D421 L428 D430 L434 R435 A436	F158-L432 HydrophobicContact CD1-CD1 4.38Å; F158-L432 HydrophobicContact CD1-CG 4.08Å; F158-L432 HydrophobicContact CD2-CD2 3.49Å; F158-L432 VanDerWaalsContact CD2-CD2 3.49Å; F158-L432 HydrophobicContact CD2-CG 3.97Å; F158-L432 HydrophobicContact CE1-CG 4.04Å; F158-L432 HydrophobicContact CE2-CD2 3.52Å; F158-L432 HydrophobicContact CE2-CG 3.92Å; F158-L432 HydrophobicContact CG-CD1 4.31Å; F158-L432 HydrophobicContact CG-CD2 4.03Å; F158-L432 HydrophobicContact CG-CG 4.06Å; F158-L432 HydrophobicContact CZ-CD2 4.1Å; F158-L432 HydrophobicContact CZ-CG 3.97Å; K419-L432 PolarHBondContact O-N 2.8Å; K419-L432 VanDerWaalsContact O-N 3.14Å; D421-L432 HydrophobicContact CB-CD2 4.13Å; L428-L432 HydrophobicContact CD1-CD1 3.79Å; L428-L432 HydrophobicContact CG-CD1 4.46Å; L428-L432 WeakPolarHBondContact O-CD1 3.42Å; D430-L432 PolarHBondContact O-N 3.42Å; L432-L434 PolarHBondContact O-N 3.48Å; L432-R435 WeakPolarHBondContact O-CB 3.36Å; L432-R435 PolarHBondContact O-N 3.24Å; L432-A436 WeakPolarHBondContact O-CB 3.47Å; L432-A436 PolarHBondContact O-N 2.99Å
433	I	98.1	Very high	96.4	Very high	0 Å²	0	25.6 Å²	25.6	0%	0	15%	0.145	C	C	.	.	H	α-helix	trans	-66	-34	179.4	-159.3	179.4	0	0	0	113.4	F158 E165 I166 L169 F350 I414 V418 K419 K431 A436 A437	F158-I433 HydrophobicContact CZ-CB 4.49Å; E165-I433 HydrophobicContact CB-CD1 4.49Å; I166-I433 HydrophobicContact CG1-CG1 3.87Å; L169-I433 HydrophobicContact CB-CD1 4.36Å; L169-I433 HydrophobicContact CD2-CB 4.44Å; L169-I433 HydrophobicContact CD2-CD1 4.01Å; L169-I433 HydrophobicContact CD2-CG1 3.84Å; L169-I433 HydrophobicContact CD2-CG2 4.07Å; F350-I433 HydrophobicContact CD1-CG2 3.52Å; F350-I433 HydrophobicContact CE1-CG2 3.58Å; I414-I433 HydrophobicContact CD1-CD1 4.32Å; V418-I433 HydrophobicContact CG1-CD1 4.28Å; V418-I433 WeakPolarHBondContact O-CB 3.11Å; K419-I433 PolarHBondContact O-N 3.18Å; K431-I433 PolarHBondContact O-N 3.25Å; K431-I433 VanDerWaalsContact O-N 3.13Å; I433-A436 PolarHBondContact O-N 3.29Å; I433-A437 WeakPolarHBondContact O-CB 3.26Å; I433-A437 PolarHBondContact O-N 2.87Å
434	L	98.3	Very high	96.5	Very high	0 Å²	0	25.9 Å²	25.9	0%	0	14%	0.137	C	C	.	.	H	α-helix	trans	-70	-37.2	175.4	-60.5	-165.4	0	0	0	111.2	L169 I210 L214 A346 F350 Y402 K431 L432 A436 A437 L438	L169-L434 HydrophobicContact CD2-CD2 3.75Å; I210-L434 HydrophobicContact CD1-CB 4.3Å; L214-L434 HydrophobicContact CD2-CB 4.47Å; L214-L434 HydrophobicContact CD2-CD2 3.97Å; A346-L434 HydrophobicContact CB-CD1 4.26Å; F350-L434 HydrophobicContact CB-CD1 4.38Å; F350-L434 HydrophobicContact CB-CG 4.4Å; F350-L434 HydrophobicContact CD1-CD2 4.18Å; F350-L434 HydrophobicContact CD1-CG 4.17Å; F350-L434 HydrophobicContact CD2-CD1 3.66Å; F350-L434 HydrophobicContact CD2-CD2 4.03Å; F350-L434 HydrophobicContact CD2-CG 3.93Å; F350-L434 HydrophobicContact CE1-CD2 3.93Å; F350-L434 HydrophobicContact CE1-CG 4.42Å; F350-L434 HydrophobicContact CE2-CD1 4.1Å; F350-L434 HydrophobicContact CE2-CD2 3.79Å; F350-L434 HydrophobicContact CE2-CG 4.22Å; F350-L434 HydrophobicContact CG-CD1 4.03Å; F350-L434 HydrophobicContact CG-CD2 4.22Å; F350-L434 HydrophobicContact CG-CG 3.91Å; F350-L434 HydrophobicContact CZ-CD2 3.73Å; F350-L434 HydrophobicContact CZ-CG 4.45Å; Y402-L434 HydrophobicContact CE1-CD1 4.1Å; Y402-L434 HydrophobicContact CE1-CD2 4.34Å; K431-L434 HydrophobicContact CB-CB 4.19Å; K431-L434 HydrophobicContact CB-CD1 4.31Å; K431-L434 HydrophobicContact CB-CG 4.28Å; K431-L434 HydrophobicContact CD-CD1 4.28Å; K431-L434 WeakPolarHBondContact O-CA 3.46Å; K431-L434 WeakPolarHBondContact O-CB 3.43Å; K431-L434 PolarHBondContact O-N 2.61Å; L432-L434 PolarHBondContact O-N 3.48Å; L434-A436 VanDerWaalsContact C-N 3.34Å; L434-A437 PolarHBondContact O-N 3.23Å; L434-L438 PolarHBondContact O-N 3.12Å
435	R	98.2	Very high	96.4	Very high	0 Å²	0	29.1 Å²	29.1	0%	0	15%	0.151	C	C	.	.	H	α-helix	trans	-64.5	-43.4	175	-58.6	-177	-177.6	-80	-1.3	110.3	I155 I210 G427 L428 D430 K431 L432 A437 L438 W439 C447 S449	I155-R435 HydrophobicContact CD1-CB 3.86Å; I210-R435 HydrophobicContact CD1-CG 3.86Å; G427-R435 VanDerWaalsContact C-CZ 3.42Å; G427-R435 VanDerWaalsContact O-CD 3.27Å; G427-R435 WeakPolarHBondContact O-CD 3.49Å; G427-R435 PolarHBondContact O-NE 2.88Å; G427-R435 PolarHBondContact O-NH1 3.08Å; G427-R435 VanDerWaalsContact O-NH1 3.14Å; L428-R435 WeakPolarHBondContact O-CD 3.26Å; D430-R435 PolarHBondContact O-NE 3.25Å; D430-R435 IonicContact OD2-CZ 3.78Å; D430-R435 IonicContact OD2-NE 2.87Å; D430-R435 IonicContact OD2-NH2 3.62Å; D430-R435 PolarHBondContact OD2-NH2 3.3Å; K431-R435 WeakPolarHBondContact O-CG 3.26Å; K431-R435 PolarHBondContact O-N 3.06Å; L432-R435 WeakPolarHBondContact O-CB 3.36Å; L432-R435 PolarHBondContact O-N 3.24Å; R435-A437 VanDerWaalsContact C-N 3.34Å; R435-L438 PolarHBondContact O-N 3.15Å; R435-W439 PolarHBondContact O-N 2.89Å; R435-C447 HydrophobicContact CB-CB 4.32Å; R435-C447 WeakPolarHBondContact CB-O 3.49Å; R435-C447 VanDerWaalsContact CD-O 3.32Å; R435-C447 WeakPolarHBondContact CD-O 3.42Å; R435-C447 WeakPolarHBondContact CG-O 3.07Å; R435-C447 PolarHBondContact NH1-O 3.34Å; R435-C447 WeakPolarHBondContact O-CB 3.22Å; R435-S449 PolarHBondContact NH1-O 2.97Å; R435-S449 PolarHBondContact NH2-O 3.39Å
436	A	98.2	Very high	96.5	Very high	0 Å²	0	25.9 Å²	25.9	0%	0	12%	0.123	C	C	.	.	H	α-helix	trans	-62.9	-39.7	175.2	0	0	0	0	0	112.1	I155 F158 I159 I166 L432 I433 L434 W439 L440	I155-A436 HydrophobicContact CG1-CB 4.33Å; F158-A436 HydrophobicContact CD1-CB 3.72Å; F158-A436 HydrophobicContact CE1-CB 3.73Å; I159-A436 HydrophobicContact CD1-CB 4.33Å; I159-A436 HydrophobicContact CG1-CB 3.69Å; I166-A436 HydrophobicContact CD1-CB 3.7Å; I166-A436 HydrophobicContact CG1-CB 4.17Å; L432-A436 WeakPolarHBondContact O-CB 3.47Å; L432-A436 PolarHBondContact O-N 2.99Å; I433-A436 PolarHBondContact O-N 3.29Å; L434-A436 VanDerWaalsContact C-N 3.34Å; A436-W439 WeakPolarHBondContact O-CB 3.49Å; A436-W439 PolarHBondContact O-N 3.25Å; A436-L440 PolarHBondContact O-N 3.24Å
437	A	98.5	Very high	96.6	Very high	0 Å²	0	19.3 Å²	19.3	0%	0	10%	0.099	C	C	.	.	H	α-helix	trans	-61.9	-46.2	173.8	0	0	0	0	0	112.2	I166 L169 I170 L214 I433 L434 R435 W439 L440 L441	I166-A437 HydrophobicContact CG2-CB 3.89Å; L169-A437 HydrophobicContact CD2-CB 4.18Å; I170-A437 HydrophobicContact CD1-CB 4.02Å; I170-A437 HydrophobicContact CG1-CB 3.85Å; L214-A437 HydrophobicContact CD1-CB 4.46Å; L214-A437 HydrophobicContact CD2-CB 4.4Å; I433-A437 WeakPolarHBondContact O-CB 3.26Å; I433-A437 PolarHBondContact O-N 2.87Å; L434-A437 PolarHBondContact O-N 3.23Å; R435-A437 VanDerWaalsContact C-N 3.34Å; A437-W439 VanDerWaalsContact C-N 3.31Å; A437-W439 PolarHBondContact O-N 3.18Å; A437-L440 PolarHBondContact O-N 2.99Å; A437-L441 VanDerWaalsContact O-CG 3.28Å; A437-L441 WeakPolarHBondContact O-CG 3.27Å; A437-L441 PolarHBondContact O-N 3.46Å
438	L	98.4	Very high	96.7	Very high	0 Å²	0	21.7 Å²	21.7	0%	0	11%	0.108	C	C	.	.	H	α-helix	trans	-61	-40.9	174.9	-79.8	173.8	0	0	0	112.1	I210 L213 L214 L434 R435 L441 G442 Y443 C447	I210-L438 HydrophobicContact CB-CD1 3.54Å; I210-L438 HydrophobicContact CG2-CD1 3.67Å; L213-L438 HydrophobicContact CD2-CD1 4.2Å; L213-L438 HydrophobicContact CD2-CD2 4.04Å; L213-L438 HydrophobicContact CG-CD2 3.95Å; L214-L438 HydrophobicContact CB-CD2 3.97Å; L214-L438 HydrophobicContact CB-CG 4.26Å; L214-L438 HydrophobicContact CD1-CD2 4.01Å; L214-L438 HydrophobicContact CD1-CG 4.32Å; L434-L438 PolarHBondContact O-N 3.12Å; R435-L438 PolarHBondContact O-N 3.15Å; L438-L441 CarbonylContact O-C 3.54Å; L438-L441 PolarHBondContact O-N 2.82Å; L438-G442 PolarHBondContact O-N 3.4Å; L438-Y443 HydrophobicContact CD2-CD2 4.23Å; L438-Y443 HydrophobicContact CD2-CG 4.23Å; L438-Y443 WeakPolarHBondContact O-CA 3.31Å; L438-Y443 WeakPolarHBondContact O-CB 3.45Å; L438-Y443 PolarHBondContact O-N 2.94Å; L438-C447 HydrophobicContact CB-CB 3.96Å
439	W	97.8	Very high	96.7	Very high	32 Å²	32	22.6 Å²	22.6	12%	0.121	12%	0.115	C	C	.	.	H	α-helix	trans	-58.6	-49.4	174.2	-175.2	-63.4	0	0	0	111.2	K152 I155 K156 I159 R435 A436 A437 L441 G442 E444 F448	K152-W439 HydrophobicContact CB-CH2 4.03Å; K152-W439 HydrophobicContact CB-CZ3 4.34Å; K152-W439 HydrophobicContact CD-CH2 4.34Å; K152-W439 HydrophobicContact CG-CH2 4.01Å; K152-W439 HydrophobicContact CG-CZ3 4.09Å; I155-W439 HydrophobicContact CD1-CB 4.42Å; I155-W439 HydrophobicContact CD1-CE3 4.23Å; I155-W439 HydrophobicContact CG2-CD2 4Å; I155-W439 HydrophobicContact CG2-CE3 3.4Å; I155-W439 HydrophobicContact CG2-CH2 4.21Å; I155-W439 HydrophobicContact CG2-CZ3 3.5Å; K156-W439 HydrophobicContact CD-CZ2 4.21Å; K156-W439 VanDerWaalsContact CE-CZ2 3.41Å; K156-W439 HydrophobicContact CG-CH2 4.35Å; K156-W439 HydrophobicContact CG-CZ2 3.8Å; I159-W439 HydrophobicContact CD1-CB 3.71Å; I159-W439 VanDerWaalsContact CD1-CD1 3.41Å; I159-W439 HydrophobicContact CD1-CD2 4.23Å; I159-W439 HydrophobicContact CD1-CG 3.48Å; I159-W439 VanDerWaalsContact CD1-CG 3.48Å; R435-W439 PolarHBondContact O-N 2.89Å; A436-W439 WeakPolarHBondContact O-CB 3.49Å; A436-W439 PolarHBondContact O-N 3.25Å; A437-W439 VanDerWaalsContact C-N 3.31Å; A437-W439 PolarHBondContact O-N 3.18Å; W439-L441 PolarHBondContact O-N 3.02Å; W439-G442 WeakPolarHBondContact O-CA 3.49Å; W439-G442 PolarHBondContact O-N 2.98Å; W439-E444 HydrophobicContact CD2-CB 4.08Å; W439-E444 HydrophobicContact CD2-CG 3.78Å; W439-E444 HydrophobicContact CE3-CB 4.01Å; W439-E444 HydrophobicContact CE3-CG 4.23Å; W439-E444 HydrophobicContact CG-CG 3.99Å; W439-E444 HydrophobicContact CH2-CB 4.43Å; W439-E444 HydrophobicContact CZ2-CB 4.48Å; W439-E444 HydrophobicContact CZ2-CG 4.19Å; W439-E444 HydrophobicContact CZ3-CB 4.21Å; W439-F448 HydrophobicContact CE3-CE2 4.19Å; W439-F448 HydrophobicContact CE3-CZ 4.2Å; W439-F448 AromaticContact CZ3-CE2 3.71Å; W439-F448 HydrophobicContact CZ3-CE2 3.71Å; W439-F448 AromaticContact CZ3-CZ 3.78Å; W439-F448 HydrophobicContact CZ3-CZ 3.78Å
440	L	97.2	Very high	96.6	Very high	68 Å²	68	26.6 Å²	26.6	36%	0.356	14%	0.136	S	C	.	.	H	α-helix	trans	-61.7	-32.1	178.2	-77	-173.8	0	0	0	113.3	I159 I166 A436 A437 G442	I159-L440 HydrophobicContact CG2-CD1 4.24Å; I159-L440 HydrophobicContact CG2-CD2 3.49Å; I159-L440 VanDerWaalsContact CG2-CD2 3.49Å; I159-L440 HydrophobicContact CG2-CG 3.95Å; I166-L440 HydrophobicContact CB-CD1 4.04Å; I166-L440 HydrophobicContact CG2-CD1 3.54Å; I166-L440 HydrophobicContact CG2-CG 4.4Å; A436-L440 PolarHBondContact O-N 3.24Å; A437-L440 PolarHBondContact O-N 2.99Å; L440-G442 PolarHBondContact O-N 2.56Å
441	L	97.2	Very high	96.4	Very high	54 Å²	54	28.7 Å²	28.7	28%	0.283	15%	0.145	S	C	.	.	T	Hydrogen-bonded Turn	trans	-79.8	5.2	174.4	-64.8	169.3	0	0	0	113	I170 L214 L218 A437 L438 W439 Y443	I170-L441 HydrophobicContact CD1-CD1 4.34Å; I170-L441 HydrophobicContact CD1-CD2 4.32Å; I170-L441 HydrophobicContact CD1-CG 4.1Å; I170-L441 HydrophobicContact CG1-CD1 4.43Å; I170-L441 HydrophobicContact CG2-CD2 4.48Å; L214-L441 HydrophobicContact CD1-CD1 3.5Å; L214-L441 VanDerWaalsContact CD1-CD1 3.5Å; L218-L441 HydrophobicContact CD2-CD1 3.79Å; L218-L441 HydrophobicContact CD2-CD2 4.4Å; L218-L441 HydrophobicContact CG-CD1 4.42Å; A437-L441 VanDerWaalsContact O-CG 3.28Å; A437-L441 WeakPolarHBondContact O-CG 3.27Å; A437-L441 PolarHBondContact O-N 3.46Å; L438-L441 CarbonylContact O-C 3.54Å; L438-L441 PolarHBondContact O-N 2.82Å; W439-L441 PolarHBondContact O-N 3.02Å; L441-Y443 HydrophobicContact CB-CD2 3.81Å; L441-Y443 HydrophobicContact CB-CE2 4.04Å; L441-Y443 VanDerWaalsContact O-CD2 3.31Å; L441-Y443 WeakPolarHBondContact O-CD2 3.27Å; L441-Y443 WeakPolarHBondContact O-CE2 3.49Å
442	G	96.8	Very high	96.1	Very high	18 Å²	18	33.9 Å²	33.9	19%	0.186	16%	0.164	C	C	.	.	T	Hydrogen-bonded Turn	trans	86	7.6	175.9	0	0	0	0	0	115.1	R264 L438 W439 L440 E444	R264-G442 PolarHBondContact NE-O 2.9Å; R264-G442 PolarHBondContact NH2-O 2.8Å; L438-G442 PolarHBondContact O-N 3.4Å; W439-G442 WeakPolarHBondContact O-CA 3.49Å; W439-G442 PolarHBondContact O-N 2.98Å; L440-G442 PolarHBondContact O-N 2.56Å; G442-E444 VanDerWaalsContact C-N 3.28Å; G442-E444 PolarHBondContact O-N 3.11Å
443	Y	97.5	Very high	95.7	Very high	5 Å²	5	35.1 Å²	35.1	2%	0.02	18%	0.176	C	C	.	.			trans	-92.9	39.7	-179.7	-62.2	-94.7	0	0	0	112.7	L213 A217 A260 L261 L438 L441 E445 L446 C447	L213-Y443 HydrophobicContact CD1-CD1 4.12Å; L213-Y443 HydrophobicContact CD1-CE1 4.14Å; L213-Y443 HydrophobicContact CD2-CD1 4.19Å; L213-Y443 HydrophobicContact CG-CD1 4.37Å; A217-Y443 HydrophobicContact CB-CD2 4.4Å; A217-Y443 HydrophobicContact CB-CE2 3.6Å; A260-Y443 HydrophobicContact CB-CD1 3.79Å; A260-Y443 HydrophobicContact CB-CE1 3.89Å; L261-Y443 HydrophobicContact CD2-CE1 4.25Å; L261-Y443 HydrophobicContact CG-CE1 4.43Å; L438-Y443 HydrophobicContact CD2-CD2 4.23Å; L438-Y443 HydrophobicContact CD2-CG 4.23Å; L438-Y443 WeakPolarHBondContact O-CA 3.31Å; L438-Y443 WeakPolarHBondContact O-CB 3.45Å; L438-Y443 PolarHBondContact O-N 2.94Å; L441-Y443 HydrophobicContact CB-CD2 3.81Å; L441-Y443 HydrophobicContact CB-CE2 4.04Å; L441-Y443 VanDerWaalsContact O-CD2 3.31Å; L441-Y443 WeakPolarHBondContact O-CD2 3.27Å; L441-Y443 WeakPolarHBondContact O-CE2 3.49Å; Y443-E445 PolarHBondContact O-N 3.04Å; Y443-L446 PolarHBondContact O-N 3.17Å; Y443-C447 PolarHBondContact O-N 2.6Å; Y443-C447 VanDerWaalsContact O-N 3.07Å
444	E	95.5	Very high	95.4	Very high	92 Å²	92	36.9 Å²	36.9	43%	0.43	19%	0.185	S	C	.	.	T	Hydrogen-bonded Turn	trans	-56	-35.2	-173.7	-53.4	145.5	-164.3	0	0	112.5	W439 G442 L446 C447	W439-E444 HydrophobicContact CD2-CB 4.08Å; W439-E444 HydrophobicContact CD2-CG 3.78Å; W439-E444 HydrophobicContact CE3-CB 4.01Å; W439-E444 HydrophobicContact CE3-CG 4.23Å; W439-E444 HydrophobicContact CG-CG 3.99Å; W439-E444 HydrophobicContact CH2-CB 4.43Å; W439-E444 HydrophobicContact CZ2-CB 4.48Å; W439-E444 HydrophobicContact CZ2-CG 4.19Å; W439-E444 HydrophobicContact CZ3-CB 4.21Å; G442-E444 VanDerWaalsContact C-N 3.28Å; G442-E444 PolarHBondContact O-N 3.11Å; E444-L446 VanDerWaalsContact C-N 3.26Å; E444-L446 PolarHBondContact O-N 2.92Å; E444-C447 PolarHBondContact O-SG 3.41Å
445	E	92.5	Very high	95.1	Very high	106 Å²	106	38 Å²	38	50%	0.495	19%	0.19	S	C	.	.	T	Hydrogen-bonded Turn	trans	-72	-19.1	-178.4	75.1	-76.2	-164.2	0	0	113.5	R264 Y443	R264-E445 IonicContact CZ-OE1 3.82Å; R264-E445 VanDerWaalsContact CZ-OE1 3.28Å; R264-E445 IonicContact CZ-OE2 3.83Å; R264-E445 IonicContact NH1-OE1 2.58Å; R264-E445 PolarHBondContact NH1-OE1 3.16Å; R264-E445 IonicContact NH2-OE1 2.57Å; R264-E445 PolarHBondContact NH2-OE1 2.97Å; R264-E445 IonicContact NH2-OE2 3.28Å; R264-E445 PolarHBondContact NH2-OE2 2.98Å; Y443-E445 PolarHBondContact O-N 3.04Å
446	L	96	Very high	94.8	Very high	4 Å²	4	43.9 Å²	43.9	2%	0.021	22%	0.216	C	C	.	.	T	Hydrogen-bonded Turn	trans	-110.6	-17	-177.7	-73.7	161.7	0	0	0	113.1	L213 K256 A260 Y443 E444 F448 S449	L213-L446 HydrophobicContact CD2-CB 3.59Å; L213-L446 HydrophobicContact CD2-CD1 3.65Å; L213-L446 HydrophobicContact CD2-CG 4.19Å; K256-L446 HydrophobicContact CB-CD2 3.78Å; A260-L446 HydrophobicContact CB-CD1 3.55Å; Y443-L446 PolarHBondContact O-N 3.17Å; E444-L446 VanDerWaalsContact C-N 3.26Å; E444-L446 PolarHBondContact O-N 2.92Å; L446-F448 PolarHBondContact O-N 2.81Å; L446-F448 VanDerWaalsContact O-N 3.1Å; L446-S449 VanDerWaalsContact O-CB 3.27Å; L446-S449 WeakPolarHBondContact O-CB 3.12Å; L446-S449 PolarHBondContact O-N 3.08Å; L446-S449 PolarHBondContact O-OG 3.38Å
447	C	95.6	Very high	94.5	Very high	0 Å²	0	43.9 Å²	43.9	0%	0	22%	0.216	C	C	.	.	T	Hydrogen-bonded Turn	trans	-63.2	-19.7	-174.8	75.7	0	0	0	0	113.7	R435 L438 Y443 E444	R435-C447 HydrophobicContact CB-CB 4.32Å; R435-C447 WeakPolarHBondContact CB-O 3.49Å; R435-C447 VanDerWaalsContact CD-O 3.32Å; R435-C447 WeakPolarHBondContact CD-O 3.42Å; R435-C447 WeakPolarHBondContact CG-O 3.07Å; R435-C447 PolarHBondContact NH1-O 3.34Å; R435-C447 WeakPolarHBondContact O-CB 3.22Å; L438-C447 HydrophobicContact CB-CB 3.96Å; Y443-C447 PolarHBondContact O-N 2.6Å; Y443-C447 VanDerWaalsContact O-N 3.07Å; E444-C447 PolarHBondContact O-SG 3.41Å
448	F	95.2	Very high	94.3	Very high	54 Å²	54	43.9 Å²	43.9	24%	0.237	22%	0.216	C	C	.	.	T	Hydrogen-bonded Turn	trans	-92.6	6.3	175.7	-57	-75.9	0	0	0	114.5	A151 K152 I155 G427 L428 W439 L446 L450	A151-F448 HydrophobicContact CB-CD1 4.25Å; A151-F448 HydrophobicContact CB-CE1 3.76Å; A151-F448 HydrophobicContact CB-CZ 4.31Å; K152-F448 HydrophobicContact CG-CE2 4.11Å; K152-F448 HydrophobicContact CG-CZ 4.14Å; I155-F448 HydrophobicContact CB-CZ 4.48Å; I155-F448 HydrophobicContact CD1-CE1 4.36Å; I155-F448 HydrophobicContact CD1-CZ 4.44Å; I155-F448 HydrophobicContact CG2-CE1 4.31Å; I155-F448 HydrophobicContact CG2-CZ 3.8Å; G427-F448 WeakPolarHBondContact O-CA 3.24Å; L428-F448 HydrophobicContact CD1-CE1 4.1Å; W439-F448 HydrophobicContact CE3-CE2 4.19Å; W439-F448 HydrophobicContact CE3-CZ 4.2Å; W439-F448 AromaticContact CZ3-CE2 3.71Å; W439-F448 HydrophobicContact CZ3-CE2 3.71Å; W439-F448 AromaticContact CZ3-CZ 3.78Å; W439-F448 HydrophobicContact CZ3-CZ 3.78Å; L446-F448 PolarHBondContact O-N 2.81Å; L446-F448 VanDerWaalsContact O-N 3.1Å; F448-L450 PolarHBondContact O-N 2.99Å
449	S	93.5	Very high	94.1	Very high	27 Å²	27	47.4 Å²	47.4	19%	0.189	23%	0.229	C	C	.	.	P	Polyproline II helix	trans	-57.4	127.7	-179.1	-62.7	0	0	0	0	110.9	R435 L446	R435-S449 PolarHBondContact NH1-O 2.97Å; R435-S449 PolarHBondContact NH2-O 3.39Å; L446-S449 VanDerWaalsContact O-CB 3.27Å; L446-S449 WeakPolarHBondContact O-CB 3.12Å; L446-S449 PolarHBondContact O-N 3.08Å; L446-S449 PolarHBondContact O-OG 3.38Å
450	L	93.5	Very high	93.9	Very high	84 Å²	84	46 Å²	46	44%	0.44	22%	0.224	S	C	.	.	P	Polyproline II helix	trans	-67.4	135.9	-178.3	-67.5	178.3	0	0	0	110.9	R426 F448 R452	R426-L450 HydrophobicContact CB-CD2 4.08Å; R426-L450 WeakPolarHBondContact O-CD2 3.19Å; F448-L450 PolarHBondContact O-N 2.99Å; L450-R452 PolarHBondContact O-N 3.32Å
451	K	91	Very high	93.5	Very high	51 Å²	51	45 Å²	45	22%	0.222	22%	0.221	C	C	.	.	P	Polyproline II helix	trans	-66	127.4	174.1	-176.1	55	162.2	113.1	0	111	D347	D347-K451 WeakPolarHBondContact OD1-CE 3.44Å; D347-K451 IonicContact OD1-NZ 3.21Å; D347-K451 WeakPolarHBondContact OD2-CE 3.41Å; D347-K451 IonicContact OD2-NZ 3.1Å; D347-K451 PolarHBondContact OD2-NZ 3.43Å
452	R	91.4	Very high	93	Very high	109 Å²	109	50 Å²	50	41%	0.411	24%	0.24	S	C	.	.			trans	-128	132.7	170.6	-64.7	173.8	174.8	151.7	-4.5	107.6	P249 L450	P249-R452 VanDerWaalsContact CB-NH1 3.33Å; L450-R452 PolarHBondContact O-N 3.32Å
453	A	90	Very high	92.5	Very high	34 Å²	34	49.3 Å²	49.3	28%	0.281	23%	0.232	S	C	.	.			trans	-70.3	147.4	170.8	0	0	0	0	0	109	Q455 F456 G457	A453-Q455 PolarHBondContact O-N 2.64Å; A453-Q455 VanDerWaalsContact O-N 3.08Å; A453-F456 HydrophobicContact CB-CD2 3.9Å; A453-F456 HydrophobicContact CB-CE2 4.37Å; A453-F456 PolarHBondContact O-N 2.64Å; A453-G457 PolarHBondContact O-N 3.2Å
454	I	92	Very high	91.8	Very high	37 Å²	37	49.8 Å²	49.8	19%	0.19	24%	0.236	C	C	.	.	H	α-helix	trans	-53.5	-37.1	-172.2	-166.8	174.1	0	0	0	112.7	L205 I306 A309 I310 F456 G457 S458	L205-I454 HydrophobicContact CD2-CD1 3.93Å; I306-I454 HydrophobicContact CG1-CG2 4.27Å; A309-I454 HydrophobicContact CB-CD1 3.88Å; A309-I454 HydrophobicContact CB-CG1 3.94Å; A309-I454 HydrophobicContact CB-CG2 4.47Å; I310-I454 HydrophobicContact CG1-CD1 4.03Å; I454-F456 VanDerWaalsContact C-N 3.25Å; I454-F456 PolarHBondContact O-N 3.09Å; I454-G457 PolarHBondContact O-N 2.71Å; I454-S458 VanDerWaalsContact O-CB 3.26Å; I454-S458 WeakPolarHBondContact O-CB 3.48Å; I454-S458 PolarHBondContact O-N 2.87Å; I454-S458 PolarHBondContact O-OG 3.05Å
455	Q	90.5	Very high	90.6	Very high	24 Å²	24	47.8 Å²	47.8	11%	0.112	24%	0.24	C	C	.	.	H	α-helix	trans	-65.2	-26.3	179.4	72.1	-176.7	20.4	0	0	113.9	A453 I460 V461	A453-Q455 PolarHBondContact O-N 2.64Å; A453-Q455 VanDerWaalsContact O-N 3.08Å; Q455-I460 HydrophobicContact CB-CG2 4Å; Q455-I460 VanDerWaalsContact O-CG2 3.26Å; Q455-I460 WeakPolarHBondContact O-CG2 3.48Å; Q455-V461 HydrophobicContact CB-CG2 3.89Å; Q455-V461 HydrophobicContact CG-CG2 4.01Å; Q455-V461 WeakPolarHBondContact O-CG2 3.47Å; Q455-V461 PolarHBondContact O-N 2.74Å
456	F	92.2	Very high	89.2	Confident	122 Å²	122	44.9 Å²	44.9	54%	0.535	23%	0.232	S	C	.	.	H	α-helix	trans	-94.3	-40.6	176.7	-58.6	-60.8	0	0	0	111.4	A453 I454 R459 V461	A453-F456 HydrophobicContact CB-CD2 3.9Å; A453-F456 HydrophobicContact CB-CE2 4.37Å; A453-F456 PolarHBondContact O-N 2.64Å; I454-F456 VanDerWaalsContact C-N 3.25Å; I454-F456 PolarHBondContact O-N 3.09Å; F456-R459 PolarHBondContact O-N 2.63Å; F456-V461 HydrophobicContact CD1-CB 4.46Å; F456-V461 HydrophobicContact CD1-CG2 4.33Å; F456-V461 HydrophobicContact CE1-CG1 4.42Å; F456-V461 HydrophobicContact CE1-CG2 4.3Å
457	G	93.3	Very high	87.5	Confident	0 Å²	0	55 Å²	55	0%	0	28%	0.275	C	S	.	.	H	α-helix	trans	-68.1	-38.9	-177	0	0	0	0	0	113.6	V248 P249 D250 A453 I454 R459	V248-G457 WeakPolarHBondContact CG1-O 3.34Å; P249-G457 WeakPolarHBondContact CB-O 3.28Å; D250-G457 PolarHBondContact N-O 2.75Å; D250-G457 VanDerWaalsContact OD1-CA 3.23Å; D250-G457 WeakPolarHBondContact OD1-CA 3.34Å; D250-G457 VanDerWaalsContact OD2-CA 3.23Å; D250-G457 WeakPolarHBondContact OD2-CA 3.35Å; A453-G457 PolarHBondContact O-N 3.2Å; I454-G457 PolarHBondContact O-N 2.71Å; G457-R459 VanDerWaalsContact C-N 3.27Å; G457-R459 PolarHBondContact O-N 2.87Å
458	S	94.2	Very high	85.9	Confident	0 Å²	0	56.4 Å²	56.4	0%	0	29%	0.29	C	S	.	.	T	Hydrogen-bonded Turn	trans	-77.5	-8.7	174.3	67.6	0	0	0	0	114.1	F236 D250 I454 I460	F236-S458 PolarHBondContact N-O 3.34Å; D250-S458 PolarHBondContact OD2-N 3.13Å; I454-S458 VanDerWaalsContact O-CB 3.26Å; I454-S458 WeakPolarHBondContact O-CB 3.48Å; I454-S458 PolarHBondContact O-N 2.87Å; I454-S458 PolarHBondContact O-OG 3.05Å; S458-I460 VanDerWaalsContact C-N 3.32Å; S458-I460 PolarHBondContact O-N 3.12Å
459	R	93.8	Very high	84.9	Confident	74 Å²	74	61.3 Å²	61.3	28%	0.279	31%	0.312	S	S	.	.			trans	65.4	13	-172.8	-64.2	-168.3	179.8	159.5	-4.9	117.1	A247 V248 F456 G457 V461 K462 V463	A247-R459 VanDerWaalsContact O-CZ 3.27Å; A247-R459 PolarHBondContact O-NH2 2.75Å; V248-R459 HydrophobicContact CG1-CG 4.24Å; V248-R459 HydrophobicContact CG2-CG 4.3Å; F456-R459 PolarHBondContact O-N 2.63Å; G457-R459 VanDerWaalsContact C-N 3.27Å; G457-R459 PolarHBondContact O-N 2.87Å; R459-V461 VanDerWaalsContact C-N 3.31Å; R459-V461 PolarHBondContact O-N 3.46Å; R459-K462 HydrophobicContact CB-CB 4.39Å; R459-K462 WeakPolarHBondContact O-CB 3.45Å; R459-K462 PolarHBondContact O-N 3.42Å; R459-V463 PolarHBondContact O-N 2.78Å; R459-V463 VanDerWaalsContact O-N 3.08Å
460	I	92.7	Very high	83.9	Confident	2 Å²	2	61.6 Å²	61.6	1%	0.01	32%	0.318	C	S	.	.	H	α-helix	trans	-54.2	-44.8	177.6	-172.9	173.2	0	0	0	112.9	F236 L282 Y308 Q455 S458 K462 V463 S464	F236-I460 HydrophobicContact CB-CB 4.41Å; F236-I460 HydrophobicContact CD1-CB 4.07Å; F236-I460 HydrophobicContact CD1-CD1 4.24Å; F236-I460 HydrophobicContact CD1-CG1 3.9Å; F236-I460 HydrophobicContact CD2-CB 3.57Å; F236-I460 HydrophobicContact CD2-CG1 4.28Å; F236-I460 HydrophobicContact CE1-CB 4.24Å; F236-I460 HydrophobicContact CE1-CD1 3.69Å; F236-I460 HydrophobicContact CE1-CG1 3.88Å; F236-I460 HydrophobicContact CE2-CB 3.77Å; F236-I460 HydrophobicContact CE2-CD1 4.16Å; F236-I460 HydrophobicContact CE2-CG1 4.27Å; F236-I460 HydrophobicContact CG-CB 3.74Å; F236-I460 HydrophobicContact CG-CG1 4.11Å; F236-I460 HydrophobicContact CZ-CB 4.11Å; F236-I460 HydrophobicContact CZ-CD1 3.65Å; F236-I460 HydrophobicContact CZ-CG1 4.08Å; L282-I460 HydrophobicContact CD1-CD1 4.23Å; L282-I460 HydrophobicContact CD2-CG1 4.19Å; Y308-I460 HydrophobicContact CD2-CD1 4.03Å; Y308-I460 HydrophobicContact CG-CD1 4.11Å; Q455-I460 HydrophobicContact CB-CG2 4Å; Q455-I460 VanDerWaalsContact O-CG2 3.26Å; Q455-I460 WeakPolarHBondContact O-CG2 3.48Å; S458-I460 VanDerWaalsContact C-N 3.32Å; S458-I460 PolarHBondContact O-N 3.12Å; I460-K462 PolarHBondContact O-N 3.47Å; I460-V463 PolarHBondContact O-N 3.49Å; I460-S464 WeakPolarHBondContact O-CB 3.22Å; I460-S464 PolarHBondContact O-N 2.73Å; I460-S464 PolarHBondContact O-OG 3.43Å
461	V	89.3	Confident	83.3	Confident	49 Å²	49	64.2 Å²	64.2	30%	0.297	33%	0.329	S	S	.	.	H	α-helix	trans	-59.8	-32.9	179.7	174.1	0	0	0	0	111.8	Q455 F456 R459 G465	Q455-V461 HydrophobicContact CB-CG2 3.89Å; Q455-V461 HydrophobicContact CG-CG2 4.01Å; Q455-V461 WeakPolarHBondContact O-CG2 3.47Å; Q455-V461 PolarHBondContact O-N 2.74Å; F456-V461 HydrophobicContact CD1-CB 4.46Å; F456-V461 HydrophobicContact CD1-CG2 4.33Å; F456-V461 HydrophobicContact CE1-CG1 4.42Å; F456-V461 HydrophobicContact CE1-CG2 4.3Å; R459-V461 VanDerWaalsContact C-N 3.31Å; R459-V461 PolarHBondContact O-N 3.46Å; V461-G465 PolarHBondContact O-N 2.95Å
462	K	87.5	Confident	83	Confident	158 Å²	158	66.5 Å²	66.5	69%	0.687	34%	0.34	S	S	*	.	H	α-helix	trans	-73.3	-37.3	176.6	-172.6	178.2	179.1	-179.9	0	111.5	R459 I460	R459-K462 HydrophobicContact CB-CB 4.39Å; R459-K462 WeakPolarHBondContact O-CB 3.45Å; R459-K462 PolarHBondContact O-N 3.42Å; I460-K462 PolarHBondContact O-N 3.47Å
463	V	85.8	Confident	82.7	Confident	4 Å²	4	66.8 Å²	66.8	2%	0.024	35%	0.349	C	S	.	.	H	α-helix	trans	-78.1	-39.8	-178.3	176.2	0	0	0	0	112	F236 V238 R279 L282 R459 I460 G465	F236-V463 HydrophobicContact CB-CB 4.17Å; F236-V463 HydrophobicContact CB-CG2 3.82Å; V238-V463 HydrophobicContact CG2-CG2 4.26Å; R279-V463 HydrophobicContact CB-CG1 4.05Å; R279-V463 HydrophobicContact CG-CG1 4.43Å; R279-V463 PolarHBondContact NE-O 2.89Å; R279-V463 PolarHBondContact NH2-O 2.98Å; L282-V463 HydrophobicContact CD2-CG1 4.29Å; R459-V463 PolarHBondContact O-N 2.78Å; R459-V463 VanDerWaalsContact O-N 3.08Å; I460-V463 PolarHBondContact O-N 3.49Å; V463-G465 VanDerWaalsContact C-N 3.29Å; V463-G465 PolarHBondContact O-N 2.98Å
464	S	81.8	Confident	82.2	Confident	15 Å²	15	66.4 Å²	66.4	11%	0.105	35%	0.346	C	S	.	.	H	α-helix	trans	-72.2	-20.8	-179.6	74.5	0	0	0	0	113.2	Y283 I460 S466	Y283-S464 VanDerWaalsContact OH-C 3.23Å; Y283-S464 VanDerWaalsContact OH-CA 3.28Å; Y283-S464 WeakPolarHBondContact OH-CA 3.25Å; Y283-S464 PolarHBondContact OH-O 2.9Å; I460-S464 WeakPolarHBondContact O-CB 3.22Å; I460-S464 PolarHBondContact O-N 2.73Å; I460-S464 PolarHBondContact O-OG 3.43Å; S464-S466 PolarHBondContact O-N 3.35Å; S464-S466 PolarHBondContact OG-OG 3.18Å; S464-S466 VanDerWaalsContact OG-OG 3.05Å
465	G	71.1	Confident	81.7	Confident	49 Å²	49	65.8 Å²	65.8	51%	0.505	34%	0.342	S	S	.	.			trans	55.5	18.5	178.7	0	0	0	0	0	114.2	V461 V463 K467	V461-G465 PolarHBondContact O-N 2.95Å; V463-G465 VanDerWaalsContact C-N 3.29Å; V463-G465 PolarHBondContact O-N 2.98Å; G465-K467 PolarHBondContact O-N 3.31Å
466	S	63.7	Low	80.7	Confident	46 Å²	46	72.5 Å²	72.5	32%	0.322	39%	0.385	S	S	.	.			trans	-61.1	112.6	-175.3	-56	0	0	0	0	108.8	S464 G468	S464-S466 PolarHBondContact O-N 3.35Å; S464-S466 PolarHBondContact OG-OG 3.18Å; S464-S466 VanDerWaalsContact OG-OG 3.05Å; S466-G468 PolarHBondContact O-N 2.82Å
467	K	58.7	Low	80.2	Confident	215 Å²	215	70.1 Å²	70.1	94%	0.935	38%	0.377	S	S	*	.			trans	-76.7	-5.1	-178.6	-67.3	-174.3	178.1	179.7	0	113.7	G465	G465-K467 PolarHBondContact O-N 3.31Å
468	G	62.3	Low	79.5	Confident	31 Å²	31	73.7 Å²	73.7	32%	0.32	40%	0.397	S	S	.	.	S	Bend	trans	-77.2	145	179.5	0	0	0	0	0	112.5	S466	S466-G468 PolarHBondContact O-N 2.82Å
469	K	73.8	Confident	78.7	Confident	157 Å²	157	77.8 Å²	77.8	68%	0.683	42%	0.419	S	S	*	.			trans	-63.5	152.9	165.7	-61.7	-179.2	178.5	177.6	0	108.5	E471 H472	K469-E471 PolarHBondContact O-N 3.03Å; K469-H472 WeakPolarHBondContact O-CB 3.38Å; K469-H472 PolarHBondContact O-N 3.35Å
470	G	74	Confident	77.8	Confident	32 Å²	32	78.1 Å²	78.1	33%	0.33	43%	0.427	S	S	.	.	T	Hydrogen-bonded Turn	trans	-56.3	-24.5	-174	0	0	0	0	0	115.3	T300 V301 R302	T300-G470 VanDerWaalsContact CB-O 3.25Å; T300-G470 WeakPolarHBondContact CB-O 3.43Å; T300-G470 PolarHBondContact OG1-O 3.25Å; V301-G470 PolarHBondContact N-O 3.46Å; R302-G470 VanDerWaalsContact CB-O 3.26Å; R302-G470 WeakPolarHBondContact CB-O 3.29Å; R302-G470 PolarHBondContact N-O 3.02Å
471	E	80.8	Confident	76.9	Confident	140 Å²	140	82.8 Å²	82.8	65%	0.654	45%	0.453	S	S	*	.	T	Hydrogen-bonded Turn	trans	-90.4	-9.8	-179.8	-59.6	-175.8	149.8	0	0	114	K469	K469-E471 PolarHBondContact O-N 3.03Å
472	H	85.3	Confident	76	Confident	99 Å²	99	85.1 Å²	85.1	46%	0.458	46%	0.464	S	S	.	.	S	Bend	trans	-68	149.9	175.9	-67	-162.6	0	0	0	109.7	T300 V301 K469 A474	T300-H472 CarbonylContact C-O 3.59Å; T300-H472 WeakPolarHBondContact CA-O 2.97Å; V301-H472 HydrophobicContact CG2-CB 4.4Å; V301-H472 PolarHBondContact N-O 2.89Å; K469-H472 WeakPolarHBondContact O-CB 3.38Å; K469-H472 PolarHBondContact O-N 3.35Å; H472-A474 PolarHBondContact O-N 3.05Å
473	L	84.3	Confident	75.2	Confident	114 Å²	114	79.9 Å²	79.9	60%	0.597	45%	0.448	S	S	*	.	B	Isolated β-bridge	trans	-60	128.6	170.1	-65.1	175.1	0	0	0	109.5	L299	L299-L473 HydrophobicContact CB-CD2 3.79Å; L299-L473 HydrophobicContact CD1-CD2 4.38Å; L299-L473 CarbonylContact O-C 3.22Å; L299-L473 WeakPolarHBondContact O-CA 3.48Å
474	A	79.8	Confident	74.4	Confident	26 Å²	26	85.7 Å²	85.7	22%	0.215	48%	0.481	C	S	.	.	S	Bend	trans	-77.3	-32.4	173.9	0	0	0	0	0	111.6	L299 V301 E304 H472	L299-A474 WeakPolarHBondContact O-CB 3.5Å; L299-A474 PolarHBondContact O-N 3.08Å; V301-A474 HydrophobicContact CG2-CB 4.18Å; E304-A474 HydrophobicContact CB-CB 3.95Å; E304-A474 HydrophobicContact CG-CB 4.47Å; H472-A474 PolarHBondContact O-N 3.05Å
475	F	81.1	Confident	73.8	Confident	24 Å²	24	91.6 Å²	91.6	11%	0.105	51%	0.512	C	S	.	.			trans	-155.9	161.8	178.7	55.1	-82.6	0	0	0	109.4	R292 M295 R296 L299	R292-F475 HydrophobicContact CB-CD1 4.3Å; R292-F475 HydrophobicContact CB-CD2 4.38Å; R292-F475 HydrophobicContact CB-CE1 3.89Å; R292-F475 HydrophobicContact CB-CE2 3.9Å; R292-F475 HydrophobicContact CB-CZ 3.65Å; R292-F475 HydrophobicContact CG-CD1 3.67Å; R292-F475 HydrophobicContact CG-CE1 3.52Å; R292-F475 HydrophobicContact CG-CE2 4.33Å; R292-F475 HydrophobicContact CG-CG 4.19Å; R292-F475 HydrophobicContact CG-CZ 3.86Å; M295-F475 HydrophobicContact CE-CE1 4.06Å; M295-F475 HydrophobicContact CE-CZ 4.4Å; M295-F475 HydrophobicContact CG-CE1 4.31Å; M295-F475 HydrophobicContact CG-CZ 3.96Å; M295-F475 HydrophobicContact SD-CE1 3.59Å; M295-F475 VanDerWaalsContact SD-CE1 3.59Å; M295-F475 HydrophobicContact SD-CZ 3.87Å; R296-F475 HydrophobicContact CG-CE2 4.36Å; L299-F475 HydrophobicContact CD2-CD2 3.85Å; L299-F475 HydrophobicContact CD2-CE1 4.26Å; L299-F475 HydrophobicContact CD2-CE2 3.14Å; L299-F475 HydrophobicContact CD2-CZ 3.38Å
476	T	70.6	Confident	74	Confident	166 Å²	166	95.5 Å²	95.5	100%	1.018	51%	0.512	S	S	*	.			trans	-93.3	0	175.5	52.8	0	0	0	0	111.5

Retrieved 476 of 476 residues in 609.5 ms (Link to these results)

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