A0A060WQW0_ONCMY Loading...

Sulfotransferase

AlphaFold DB , UniProt , Accession A0A060WQW0, Species ONCMY (Oncorhynchus mykiss, Rainbow trout), Gene LOC110522134, Length 346 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	57.6	Low	54.3	Low	224 Å²	224	146.1 Å²	146.1	100%	1.103	70%	0.698	S	S	*	*				0	-15	0	-89.2	177.9	-174.4	0	0	115
2	L	51.7	Low	54.4	Low	135 Å²	135	145.2 Å²	145.2	71%	0.707	69%	0.689	S	S	*	*	H	α-helix	trans	-77.1	-26.8	178.5	-93	90.5	0	0	0	115.9	K4 Q5	L2-K4 PolarHBondContact O-N 3.19Å; L2-Q5 PolarHBondContact O-N 2.9Å
3	F	49.8	Very low	54.5	Low	183 Å²	183	143.2 Å²	143.2	80%	0.803	68%	0.684	S	S	*	*	H	α-helix	trans	-72.1	-27.6	-177	-89	-85.6	0	0	0	114.6
4	K	50.9	Low	54.3	Low	185 Å²	185	145.2 Å²	145.2	80%	0.804	69%	0.689	S	S	*	*	H	α-helix	trans	-76.6	-25.8	177.6	-78.7	-173.5	175.3	-177.5	0	113.1	L2	L2-K4 PolarHBondContact O-N 3.19Å
5	Q	52.5	Low	54.4	Low	144 Å²	144	141.1 Å²	141.1	67%	0.673	68%	0.677	S	S	*	*	H	α-helix	trans	-78.5	-32.1	178	-80.8	178.9	-24.4	0	0	112.9	L2 L9	L2-Q5 PolarHBondContact O-N 2.9Å; Q5-L9 PolarHBondContact O-N 2.89Å
6	Q	52.9	Low	54.2	Low	123 Å²	123	139.9 Å²	139.9	58%	0.575	68%	0.675	S	S	*	*	H	α-helix	trans	-69.9	-34.3	175.5	-79	-177.6	-22.9	0	0	113.3	L9 R10	Q6-L9 PolarHBondContact O-N 3.32Å; Q6-R10 PolarHBondContact O-N 2.78Å; Q6-R10 VanDerWaalsContact O-N 3.14Å
7	A	55.3	Low	53.9	Low	60 Å²	60	133.7 Å²	133.7	50%	0.496	66%	0.656	S	S	.	*	H	α-helix	trans	-66.3	-40.7	176.1	0	0	0	0	0	112.1	L9 R10 Q11	A7-L9 VanDerWaalsContact C-N 3.34Å; A7-L9 PolarHBondContact O-N 3.11Å; A7-R10 PolarHBondContact O-N 3.11Å; A7-Q11 WeakPolarHBondContact O-CB 3.42Å; A7-Q11 PolarHBondContact O-N 2.64Å
8	L	54.7	Low	53.9	Low	100 Å²	100	130.2 Å²	130.2	52%	0.524	65%	0.647	S	S	.	*	H	α-helix	trans	-68.4	-33.6	178.7	-156.5	79.5	0	0	0	112.3	K12	L8-K12 WeakPolarHBondContact O-CG 3.49Å; L8-K12 PolarHBondContact O-N 3.24Å; L8-K12 VanDerWaalsContact O-N 3.13Å
9	L	56.8	Low	53.7	Low	116 Å²	116	129.3 Å²	129.3	61%	0.607	64%	0.644	S	S	*	*	H	α-helix	trans	-70.8	-41.2	176.6	-140.5	85.3	0	0	0	111.7	Q5 Q6 A7 K12 L13	Q5-L9 PolarHBondContact O-N 2.89Å; Q6-L9 PolarHBondContact O-N 3.32Å; A7-L9 VanDerWaalsContact C-N 3.34Å; A7-L9 PolarHBondContact O-N 3.11Å; L9-K12 PolarHBondContact O-N 3.05Å; L9-L13 HydrophobicContact CG-CD1 4.47Å; L9-L13 WeakPolarHBondContact O-CD1 3.45Å; L9-L13 PolarHBondContact O-N 3.08Å
10	R	58.7	Low	53.7	Low	204 Å²	204	126.1 Å²	126.1	77%	0.77	64%	0.639	S	S	*	*	H	α-helix	trans	-64.1	-39.5	174.8	-76.3	-173.9	176.3	-163.8	-0.6	112.2	Q6 A7 L13 F14	Q6-R10 PolarHBondContact O-N 2.78Å; Q6-R10 VanDerWaalsContact O-N 3.14Å; A7-R10 PolarHBondContact O-N 3.11Å; R10-L13 PolarHBondContact O-N 3.25Å; R10-F14 PolarHBondContact O-N 2.79Å
11	Q	56.5	Low	53.8	Low	133 Å²	133	125.3 Å²	125.3	62%	0.621	64%	0.635	S	S	*	*	H	α-helix	trans	-67.5	-36.5	177.9	-155.7	172.3	16	0	0	112	A7 V15	A7-Q11 WeakPolarHBondContact O-CB 3.42Å; A7-Q11 PolarHBondContact O-N 2.64Å; Q11-V15 WeakPolarHBondContact O-CG2 3.46Å; Q11-V15 PolarHBondContact O-N 2.83Å
12	K	55.4	Low	53.5	Low	135 Å²	135	116.6 Å²	116.6	59%	0.587	60%	0.603	S	S	*	*	H	α-helix	trans	-71.3	-36.4	174.6	-75.1	-175.7	176.4	-173.3	0	113.5	L8 L9 L16	L8-K12 WeakPolarHBondContact O-CG 3.49Å; L8-K12 PolarHBondContact O-N 3.24Å; L8-K12 VanDerWaalsContact O-N 3.13Å; L9-K12 PolarHBondContact O-N 3.05Å; K12-L16 PolarHBondContact O-N 3.42Å; K12-L16 VanDerWaalsContact O-N 3.15Å
13	L	55.6	Low	53.6	Low	119 Å²	119	113.9 Å²	113.9	62%	0.623	60%	0.595	S	S	*	*	H	α-helix	trans	-67.6	-35.1	173.9	-98.3	111.7	0	0	0	112.7	L9 R10 L16 G17	L9-L13 HydrophobicContact CG-CD1 4.47Å; L9-L13 WeakPolarHBondContact O-CD1 3.45Å; L9-L13 PolarHBondContact O-N 3.08Å; R10-L13 PolarHBondContact O-N 3.25Å; L13-L16 PolarHBondContact O-N 3.01Å; L13-G17 PolarHBondContact O-N 2.6Å
14	F	52.4	Low	53.6	Low	172 Å²	172	111.1 Å²	111.1	75%	0.754	59%	0.588	S	S	*	*	H	α-helix	trans	-67.2	-37.3	177.4	-134.7	-91.9	0	0	0	112.5	R10 S18	R10-F14 PolarHBondContact O-N 2.79Å; F14-S18 PolarHBondContact O-N 3.35Å; F14-S18 VanDerWaalsContact O-N 3.15Å; F14-S18 PolarHBondContact O-OG 3.19Å
15	V	54.5	Low	53.7	Low	83 Å²	83	108 Å²	108	50%	0.503	58%	0.579	S	S	.	*	H	α-helix	trans	-72.9	-33.9	177.1	175.4	0	0	0	0	112	Q11 S18 L19	Q11-V15 WeakPolarHBondContact O-CG2 3.46Å; Q11-V15 PolarHBondContact O-N 2.83Å; V15-S18 PolarHBondContact O-OG 2.96Å; V15-S18 VanDerWaalsContact O-OG 3.05Å; V15-L19 HydrophobicContact CG1-CD1 4.4Å; V15-L19 WeakPolarHBondContact O-CD1 3.42Å; V15-L19 PolarHBondContact O-N 3.5Å
16	L	52	Low	53.6	Low	123 Å²	123	108 Å²	108	64%	0.644	57%	0.574	S	S	*	*	H	α-helix	trans	-72.6	-34.9	173.9	-77.9	162.9	0	0	0	112.3	K12 L13 A20	K12-L16 PolarHBondContact O-N 3.42Å; K12-L16 VanDerWaalsContact O-N 3.15Å; L13-L16 PolarHBondContact O-N 3.01Å; L16-A20 PolarHBondContact O-N 3.31Å
17	G	49.7	Very low	53.4	Low	34 Å²	34	107.7 Å²	107.7	35%	0.351	58%	0.576	S	S	.	*	H	α-helix	trans	-66.7	-38.1	174.4	0	0	0	0	0	113.7	L13 A20 I21	L13-G17 PolarHBondContact O-N 2.6Å; G17-A20 PolarHBondContact O-N 2.91Å; G17-I21 WeakPolarHBondContact O-CD1 3.18Å; G17-I21 WeakPolarHBondContact O-CG1 3.37Å; G17-I21 PolarHBondContact O-N 3.49Å
18	S	53.1	Low	53.3	Low	71 Å²	71	109.6 Å²	109.6	50%	0.497	58%	0.581	S	S	.	*	H	α-helix	trans	-72.3	-30.5	179.5	58.2	0	0	0	0	113.6	F14 V15 G22	F14-S18 PolarHBondContact O-N 3.35Å; F14-S18 VanDerWaalsContact O-N 3.15Å; F14-S18 PolarHBondContact O-OG 3.19Å; V15-S18 PolarHBondContact O-OG 2.96Å; V15-S18 VanDerWaalsContact O-OG 3.05Å; S18-G22 PolarHBondContact O-N 3.37Å; S18-G22 VanDerWaalsContact O-N 3.09Å
19	L	50.9	Low	53	Low	112 Å²	112	108.3 Å²	108.3	59%	0.586	59%	0.585	S	S	*	*	H	α-helix	trans	-71.2	-33.9	175	-78.4	162.3	0	0	0	113.1	V15 S23	V15-L19 HydrophobicContact CG1-CD1 4.4Å; V15-L19 WeakPolarHBondContact O-CD1 3.42Å; V15-L19 PolarHBondContact O-N 3.5Å; L19-S23 PolarHBondContact O-N 2.95Å; L19-S23 PolarHBondContact O-OG 2.96Å
20	A	53.2	Low	52.6	Low	66 Å²	66	111.2 Å²	111.2	55%	0.545	59%	0.588	S	S	.	*	H	α-helix	trans	-71.8	-39.1	176.3	0	0	0	0	0	112.2	L16 G17 L24	L16-A20 PolarHBondContact O-N 3.31Å; G17-A20 PolarHBondContact O-N 2.91Å; A20-L24 PolarHBondContact O-N 3.07Å
21	I	56.3	Low	51.9	Low	109 Å²	109	106.7 Å²	106.7	56%	0.559	58%	0.583	S	S	*	*	H	α-helix	trans	-71.5	-38.7	178.4	-63.4	166.4	0	0	0	111.1	G17 S23 L24 L25	G17-I21 WeakPolarHBondContact O-CD1 3.18Å; G17-I21 WeakPolarHBondContact O-CG1 3.37Å; G17-I21 PolarHBondContact O-N 3.49Å; I21-S23 VanDerWaalsContact C-N 3.34Å; I21-S23 PolarHBondContact O-N 3.47Å; I21-L24 PolarHBondContact O-N 3.17Å; I21-L25 HydrophobicContact CG2-CD1 3.92Å; I21-L25 PolarHBondContact O-N 3.12Å
22	G	50.3	Low	51	Low	42 Å²	42	103.7 Å²	103.7	43%	0.433	59%	0.587	S	S	.	*	H	α-helix	trans	-64	-36.2	175.9	0	0	0	0	0	113.6	S18 Y26	S18-G22 PolarHBondContact O-N 3.37Å; S18-G22 VanDerWaalsContact O-N 3.09Å; G22-Y26 WeakPolarHBondContact O-CB 3.28Å; G22-Y26 PolarHBondContact O-N 2.96Å; G22-Y26 VanDerWaalsContact O-N 3.14Å
23	S	54.8	Low	50.3	Low	77 Å²	77	102.2 Å²	102.2	54%	0.538	59%	0.594	S	S	.	*	H	α-helix	trans	-72.7	-33.1	177.5	-57.5	0	0	0	0	112.4	L19 I21 L27	L19-S23 PolarHBondContact O-N 2.95Å; L19-S23 PolarHBondContact O-OG 2.96Å; I21-S23 VanDerWaalsContact C-N 3.34Å; I21-S23 PolarHBondContact O-N 3.47Å; S23-L27 PolarHBondContact O-N 2.62Å
24	L	49.6	Very low	49.5	Very low	126 Å²	126	103.7 Å²	103.7	66%	0.66	60%	0.602	S	S	*	*	H	α-helix	trans	-73.8	-39.8	177	-153.3	77.4	0	0	0	111.9	A20 I21 L27 V28	A20-L24 PolarHBondContact O-N 3.07Å; I21-L24 PolarHBondContact O-N 3.17Å; L24-L27 PolarHBondContact O-N 2.77Å; L24-V28 VanDerWaalsContact O-CG2 3.31Å; L24-V28 WeakPolarHBondContact O-CG2 2.94Å; L24-V28 PolarHBondContact O-N 2.89Å
25	L	52.3	Low	48.8	Very low	118 Å²	118	102.9 Å²	102.9	62%	0.618	61%	0.605	S	S	*	*	H	α-helix	trans	-65.8	-36.2	174.4	-81.2	160.7	0	0	0	112.5	I21 V28 A29	I21-L25 HydrophobicContact CG2-CD1 3.92Å; I21-L25 PolarHBondContact O-N 3.12Å; L25-V28 PolarHBondContact O-N 2.81Å; L25-A29 WeakPolarHBondContact O-CB 3.46Å; L25-A29 PolarHBondContact O-N 3.3Å
26	Y	50.9	Low	48	Very low	146 Å²	146	110.3 Å²	110.3	57%	0.573	62%	0.624	S	S	*	*	H	α-helix	trans	-67.4	-35.5	175.2	-167.6	-94.2	0	0	0	112.5	G22 R30	G22-Y26 WeakPolarHBondContact O-CB 3.28Å; G22-Y26 PolarHBondContact O-N 2.96Å; G22-Y26 VanDerWaalsContact O-N 3.14Å; Y26-R30 PolarHBondContact O-N 3.06Å
27	L	49.7	Very low	47.2	Very low	116 Å²	116	113 Å²	113	61%	0.607	64%	0.638	S	S	*	*	H	α-helix	trans	-71.9	-41.6	175	-116.3	102.4	0	0	0	112.1	S23 L24 A29 R30 V31	S23-L27 PolarHBondContact O-N 2.62Å; L24-L27 PolarHBondContact O-N 2.77Å; L27-A29 VanDerWaalsContact C-N 3.34Å; L27-A29 PolarHBondContact O-N 3.27Å; L27-R30 PolarHBondContact O-N 3.42Å; L27-V31 WeakPolarHBondContact O-CG2 3.5Å; L27-V31 PolarHBondContact O-N 3.41Å
28	V	52.8	Low	46.5	Very low	100 Å²	100	120.1 Å²	120.1	61%	0.606	66%	0.663	S	S	*	*	H	α-helix	trans	-65.3	-37.8	177.4	174.5	0	0	0	0	111.2	L24 L25 R30 V31 G32	L24-V28 VanDerWaalsContact O-CG2 3.31Å; L24-V28 WeakPolarHBondContact O-CG2 2.94Å; L24-V28 PolarHBondContact O-N 2.89Å; L25-V28 PolarHBondContact O-N 2.81Å; V28-R30 VanDerWaalsContact C-N 3.33Å; V28-R30 PolarHBondContact O-N 3.2Å; V28-V31 PolarHBondContact O-N 3.26Å; V28-G32 PolarHBondContact O-N 3.25Å
29	A	48.5	Very low	45.7	Very low	73 Å²	73	122.5 Å²	122.5	60%	0.603	68%	0.676	S	S	*	*	H	α-helix	trans	-69.3	-25.8	175.3	0	0	0	0	0	113.9	L25 L27	L25-A29 WeakPolarHBondContact O-CB 3.46Å; L25-A29 PolarHBondContact O-N 3.3Å; L27-A29 VanDerWaalsContact C-N 3.34Å; L27-A29 PolarHBondContact O-N 3.27Å
30	R	47	Very low	44.9	Very low	177 Å²	177	125 Å²	125	67%	0.668	69%	0.688	S	S	*	*	H	α-helix	trans	-87	-24.9	176	-99.3	-165.8	178.6	-161	0.8	114.3	Y26 L27 V28	Y26-R30 PolarHBondContact O-N 3.06Å; L27-R30 PolarHBondContact O-N 3.42Å; V28-R30 VanDerWaalsContact C-N 3.33Å; V28-R30 PolarHBondContact O-N 3.2Å
31	V	45.6	Very low	43.9	Very low	109 Å²	109	127.5 Å²	127.5	66%	0.661	70%	0.7	S	S	*	*	H	α-helix	trans	-81.3	-25.8	175.7	177.8	0	0	0	0	111.2	L27 V28 S33	L27-V31 WeakPolarHBondContact O-CG2 3.5Å; L27-V31 PolarHBondContact O-N 3.41Å; V28-V31 PolarHBondContact O-N 3.26Å; V31-S33 VanDerWaalsContact C-N 3.35Å; V31-S33 PolarHBondContact O-N 2.98Å
32	G	37.6	Very low	42.7	Very low	69 Å²	69	127.9 Å²	127.9	71%	0.711	71%	0.71	S	S	*	*	T	Hydrogen-bonded Turn	trans	-81.3	8.2	178.8	0	0	0	0	0	117.4	V28	V28-G32 PolarHBondContact O-N 3.25Å
33	S	39.2	Very low	41.9	Very low	105 Å²	105	134.1 Å²	134.1	73%	0.734	73%	0.732	S	S	*	*	T	Hydrogen-bonded Turn	trans	-113.2	14.9	-180	-172.1	0	0	0	0	114.1	V31	V31-S33 VanDerWaalsContact C-N 3.35Å; V31-S33 PolarHBondContact O-N 2.98Å
34	L	38.4	Very low	40.6	Very low	149 Å²	149	138.8 Å²	138.8	78%	0.78	75%	0.745	S	S	*	*			trans	-107	75.4	169.7	-95.8	150.1	0	0	0	108
35	D	38.8	Very low	39.6	Very low	156 Å²	156	137.2 Å²	137.2	83%	0.834	75%	0.745	S	S	*	*			trans	-177.9	82.3	158.5	-92.6	-24.5	0	0	0	109.7
36	R	37.3	Very low	38.5	Very low	238 Å²	238	142.5 Å²	142.5	90%	0.898	76%	0.756	S	S	*	*			trans	-170.8	83.2	153.6	-116.2	-179.4	-100.5	-143.2	-1.8	111.2
37	L	35.1	Very low	37.6	Very low	179 Å²	179	144.2 Å²	144.2	94%	0.937	77%	0.774	S	S	*	*			trans	-131.8	109.4	152.7	-76.6	172.7	0	0	0	107.3
38	Q	35.7	Very low	36.7	Very low	185 Å²	185	141.6 Å²	141.6	86%	0.864	78%	0.775	S	S	*	*			trans	-77.5	151.8	172	-75.8	-174.8	-53.2	0	0	110.6
39	P	36.7	Very low	35.6	Very low	120 Å²	120	143.2 Å²	143.2	78%	0.779	79%	0.788	S	S	*	*			trans	-93.5	133.2	-177.3	35.1	-29.3	0	0	0	111.6
40	I	34.3	Very low	34.7	Very low	164 Å²	164	147.3 Å²	147.3	84%	0.841	80%	0.799	S	S	*	*			trans	-139.6	104.5	163.1	-56.5	-179.4	0	0	0	109.9
41	C	30.5	Very low	34	Very low	119 Å²	119	148 Å²	148	80%	0.804	81%	0.809	S	S	*	*			trans	28.4	154.6	145.5	-70.8	0	0	0	0	124.7
42	P	32.3	Very low	33.2	Very low	118 Å²	118	149.7 Å²	149.7	77%	0.766	81%	0.814	S	S	*	*			trans	-93.5	150.7	-162.1	37.8	-31.4	0	0	0	113.1
43	I	32.3	Very low	33.1	Very low	172 Å²	172	151.9 Å²	151.9	88%	0.882	82%	0.816	S	S	*	*			trans	-128.5	120	160.8	-61.3	178.7	0	0	0	108
44	E	28.5	Very low	33	Very low	175 Å²	175	155.6 Å²	155.6	82%	0.818	82%	0.822	S	S	*	*			trans	-82.2	146.2	179.1	-126.1	173.7	-175.8	0	0	111.9
45	S	27.7	Very low	33.1	Very low	93 Å²	93	157.3 Å²	157.3	65%	0.65	83%	0.825	S	S	*	*			trans	73.2	111.3	149.2	77.7	0	0	0	0	119.2
46	R	30.4	Very low	33.6	Very low	229 Å²	229	154.2 Å²	154.2	86%	0.864	81%	0.808	S	S	*	*				158.1	114.4	115.7	-84.7	175	-158.8	-140.5	4.8	108.8
47	L	31.1	Very low	33.8	Very low	182 Å²	182	146.7 Å²	146.7	95%	0.953	79%	0.79	S	S	*	*			trans	170.7	128.1	141.7	-89.9	153.6	0	0	0	108.6
48	G	30	Very low	34.2	Very low	61 Å²	61	144.5 Å²	144.5	63%	0.629	78%	0.779	S	S	*	*			trans	-68.7	172.9	-173.7	0	0	0	0	0	114.8	L50	G48-L50 PolarHBondContact O-N 3.43Å
49	P	30.2	Very low	34.2	Very low	134 Å²	134	145.8 Å²	145.8	87%	0.87	78%	0.775	S	S	*	*			trans	-75.9	109.5	-168.3	28.4	-31.7	0	0	0	112.1
50	L	29.4	Very low	34.2	Very low	160 Å²	160	142.9 Å²	142.9	84%	0.838	76%	0.756	S	S	*	*			trans	-75.1	115.8	153.4	-98.7	108.4	0	0	0	108.4	G48 L52	G48-L50 PolarHBondContact O-N 3.43Å; L50-L52 PolarHBondContact O-N 3.44Å
51	H	32.3	Very low	34.8	Very low	191 Å²	191	139 Å²	139	88%	0.884	74%	0.736	S	S	*	*			trans	-63.8	102.6	168.6	-94.2	-51.8	0	0	0	110.4
52	L	29.4	Very low	35.6	Very low	145 Å²	145	138.8 Å²	138.8	76%	0.759	72%	0.723	S	S	*	*	P	Polyproline II helix	trans	-81.5	139	159	-91.6	121.7	0	0	0	109.5	L50 E54	L50-L52 PolarHBondContact O-N 3.44Å; L52-E54 PolarHBondContact O-N 3.21Å
53	P	36.7	Very low	36.2	Very low	114 Å²	114	141.4 Å²	141.4	74%	0.74	72%	0.719	S	S	*	*	P	Polyproline II helix	trans	-67.3	130.5	174.9	26.6	-30.8	0	0	0	110	Q55	P53-Q55 PolarHBondContact O-N 3.4Å; P53-Q55 VanDerWaalsContact O-N 3.11Å
54	E	37.1	Very low	37.1	Very low	184 Å²	184	138.5 Å²	138.5	86%	0.86	70%	0.7	S	S	*	*	P	Polyproline II helix	trans	-47.1	116	177.8	-76.2	-179.3	141.6	0	0	111.6	L52 I56	L52-E54 PolarHBondContact O-N 3.21Å; E54-I56 PolarHBondContact O-N 3.08Å
55	Q	39.5	Very low	38.3	Very low	184 Å²	184	135.5 Å²	135.5	86%	0.86	68%	0.681	S	S	*	*			trans	-68.4	101.1	168	-72	-175.8	-3.2	0	0	108.6	P53 P57	P53-Q55 PolarHBondContact O-N 3.4Å; P53-Q55 VanDerWaalsContact O-N 3.11Å; Q55-P57 WeakPolarHBondContact O-CD 3.35Å
56	I	48.8	Very low	39.3	Very low	91 Å²	91	133 Å²	133	47%	0.467	67%	0.67	S	S	.	*			trans	-59.3	122.1	173.6	-59.9	173.2	0	0	0	108.5	E54 L58 T60 L61	E54-I56 PolarHBondContact O-N 3.08Å; I56-L58 PolarHBondContact O-N 3.03Å; I56-T60 HydrophobicContact CG2-CG2 4.09Å; I56-L61 HydrophobicContact CG2-CG 4.19Å
57	P	42.8	Very low	40.3	Very low	81 Å²	81	124 Å²	124	53%	0.526	64%	0.639	S	S	.	*			trans	-58	140.6	-177.5	-24.2	32.4	0	0	0	112.1	Q55 R59 T60 L61	Q55-P57 WeakPolarHBondContact O-CD 3.35Å; P57-R59 PolarHBondContact O-N 3.36Å; P57-T60 WeakPolarHBondContact O-CA 3.42Å; P57-T60 WeakPolarHBondContact O-CB 3.4Å; P57-T60 PolarHBondContact O-N 2.94Å; P57-L61 PolarHBondContact O-N 3.01Å; P57-L61 VanDerWaalsContact O-N 3.16Å
58	L	43.4	Very low	41.3	Very low	133 Å²	133	116.5 Å²	116.5	70%	0.696	60%	0.6	S	S	*	*	H	α-helix	trans	-50.9	-33.1	177.6	-102.5	137.5	0	0	0	113.1	I56 L61 Q62	I56-L58 PolarHBondContact O-N 3.03Å; L58-L61 PolarHBondContact O-N 2.89Å; L58-Q62 WeakPolarHBondContact O-CB 3.41Å; L58-Q62 VanDerWaalsContact O-CG 3.23Å; L58-Q62 WeakPolarHBondContact O-CG 3.35Å; L58-Q62 PolarHBondContact O-N 3.23Å
59	R	34	Very low	42.3	Very low	211 Å²	211	116.8 Å²	116.8	80%	0.796	58%	0.584	S	S	*	*	H	α-helix	trans	-64.8	-39.2	174	-77.9	-174.8	176.9	-169.5	-0.2	112.9	P57 Q62 Y63	P57-R59 PolarHBondContact O-N 3.36Å; R59-Q62 PolarHBondContact O-N 3.44Å; R59-Y63 WeakPolarHBondContact O-CB 3.39Å; R59-Y63 PolarHBondContact O-N 3.13Å
60	T	38.6	Very low	43.1	Very low	60 Å²	60	115 Å²	115	37%	0.368	57%	0.565	S	S	.	*	H	α-helix	trans	-69.6	-36.1	177.2	-41.9	0	0	0	0	111.2	I56 P57 K64	I56-T60 HydrophobicContact CG2-CG2 4.09Å; P57-T60 WeakPolarHBondContact O-CA 3.42Å; P57-T60 WeakPolarHBondContact O-CB 3.4Å; P57-T60 PolarHBondContact O-N 2.94Å; T60-K64 WeakPolarHBondContact O-CB 3.41Å; T60-K64 WeakPolarHBondContact O-CG 3.49Å; T60-K64 PolarHBondContact O-N 3.05Å
61	L	46.8	Very low	44.2	Very low	81 Å²	81	108.5 Å²	108.5	42%	0.424	53%	0.531	S	S	.	.	H	α-helix	trans	-66.6	-39.2	171.3	-80.3	162.9	0	0	0	112.4	I56 P57 L58 R65	I56-L61 HydrophobicContact CG2-CG 4.19Å; P57-L61 PolarHBondContact O-N 3.01Å; P57-L61 VanDerWaalsContact O-N 3.16Å; L58-L61 PolarHBondContact O-N 2.89Å; L61-R65 VanDerWaalsContact O-CB 3.3Å; L61-R65 WeakPolarHBondContact O-CB 3.37Å; L61-R65 WeakPolarHBondContact O-CG 3.34Å; L61-R65 PolarHBondContact O-N 3.39Å
62	Q	46.3	Very low	45.2	Very low	116 Å²	116	103.9 Å²	103.9	54%	0.542	51%	0.505	S	S	.	.	H	α-helix	trans	-69	-42.1	176.6	-75.1	170.6	-3.8	0	0	112.2	L58 R59 R65 G66	L58-Q62 WeakPolarHBondContact O-CB 3.41Å; L58-Q62 VanDerWaalsContact O-CG 3.23Å; L58-Q62 WeakPolarHBondContact O-CG 3.35Å; L58-Q62 PolarHBondContact O-N 3.23Å; R59-Q62 PolarHBondContact O-N 3.44Å; Q62-R65 WeakPolarHBondContact O-CB 3.29Å; Q62-R65 PolarHBondContact O-N 3.17Å; Q62-G66 PolarHBondContact O-N 3.29Å
63	Y	44.2	Very low	46.2	Very low	172 Å²	172	103.1 Å²	103.1	68%	0.675	50%	0.496	S	S	*	.	H	α-helix	trans	-64.6	-47.1	174.9	-176.9	-97.1	0	0	0	111.8	R59 R65 G66 L67	R59-Y63 WeakPolarHBondContact O-CB 3.39Å; R59-Y63 PolarHBondContact O-N 3.13Å; Y63-R65 VanDerWaalsContact C-N 3.25Å; Y63-R65 PolarHBondContact O-N 2.98Å; Y63-G66 PolarHBondContact O-N 3.31Å; Y63-G66 VanDerWaalsContact O-N 3.16Å; Y63-L67 PolarHBondContact O-N 3.28Å
64	K	51.8	Low	46.8	Very low	111 Å²	111	100.8 Å²	100.8	48%	0.483	49%	0.492	S	S	.	.	H	α-helix	trans	-58.7	-37.2	172.5	-77.8	-176.9	176.9	-177.3	0	111.5	T60 L68	T60-K64 WeakPolarHBondContact O-CB 3.41Å; T60-K64 WeakPolarHBondContact O-CG 3.49Å; T60-K64 PolarHBondContact O-N 3.05Å; K64-L68 WeakPolarHBondContact O-CB 3.42Å; K64-L68 VanDerWaalsContact O-CD1 3.28Å; K64-L68 WeakPolarHBondContact O-CD1 3.3Å; K64-L68 PolarHBondContact O-N 2.98Å
65	R	53.5	Low	47.4	Very low	112 Å²	112	98 Å²	98	42%	0.423	48%	0.484	S	S	.	.	H	α-helix	trans	-67.2	-38.8	174.9	-91.2	179.1	158.7	178	-5.6	113.6	L61 Q62 Y63 H69 L112	L61-R65 VanDerWaalsContact O-CB 3.3Å; L61-R65 WeakPolarHBondContact O-CB 3.37Å; L61-R65 WeakPolarHBondContact O-CG 3.34Å; L61-R65 PolarHBondContact O-N 3.39Å; Q62-R65 WeakPolarHBondContact O-CB 3.29Å; Q62-R65 PolarHBondContact O-N 3.17Å; Y63-R65 VanDerWaalsContact C-N 3.25Å; Y63-R65 PolarHBondContact O-N 2.98Å; R65-H69 WeakPolarHBondContact O-CB 3.26Å; R65-H69 PolarHBondContact O-N 3.2Å; R65-L112 PolarHBondContact NH2-O 3.04Å
66	G	48.5	Very low	48.4	Very low	40 Å²	40	90.2 Å²	90.2	41%	0.412	45%	0.451	S	S	.	.	H	α-helix	trans	-65.6	-45.1	174.8	0	0	0	0	0	112.2	Q62 Y63 H69 E70	Q62-G66 PolarHBondContact O-N 3.29Å; Y63-G66 PolarHBondContact O-N 3.31Å; Y63-G66 VanDerWaalsContact O-N 3.16Å; G66-H69 WeakPolarHBondContact O-CB 3.34Å; G66-H69 PolarHBondContact O-N 3.32Å; G66-E70 PolarHBondContact O-N 2.92Å
67	L	51.4	Low	49.3	Very low	40 Å²	40	89.4 Å²	89.4	21%	0.209	45%	0.45	C	S	.	.	H	α-helix	trans	-62.8	-46.3	173.6	-170.7	72.8	0	0	0	111.5	Y63 H69 E70 L71 H84	Y63-L67 PolarHBondContact O-N 3.28Å; L67-H69 VanDerWaalsContact C-N 3.28Å; L67-H69 PolarHBondContact O-N 2.92Å; L67-E70 PolarHBondContact O-N 3.24Å; L67-L71 HydrophobicContact CD2-CD1 4.44Å; L67-L71 HydrophobicContact CG-CD1 3.98Å; L67-L71 HydrophobicContact CG-CG 4.45Å; L67-L71 WeakPolarHBondContact O-CB 3.43Å; L67-L71 WeakPolarHBondContact O-CG 3.46Å; L67-L71 PolarHBondContact O-N 2.89Å; L67-H84 WeakPolarHBondContact CD2-NE2 3.46Å
68	L	52.3	Low	50.5	Low	26 Å²	26	94.2 Å²	94.2	14%	0.136	46%	0.463	C	S	.	.	H	α-helix	trans	-59.4	-35.9	173.8	-94.4	142.7	0	0	0	112.2	K64 R72 F147	K64-L68 WeakPolarHBondContact O-CB 3.42Å; K64-L68 VanDerWaalsContact O-CD1 3.28Å; K64-L68 WeakPolarHBondContact O-CD1 3.3Å; K64-L68 PolarHBondContact O-N 2.98Å; L68-R72 WeakPolarHBondContact O-CB 3.4Å; L68-R72 WeakPolarHBondContact O-CD 3.42Å; L68-R72 WeakPolarHBondContact O-CG 3.47Å; L68-R72 PolarHBondContact O-N 3.19Å; L68-F147 HydrophobicContact CD1-CE2 4.01Å; L68-F147 HydrophobicContact CD2-CE2 4.31Å; L68-F147 HydrophobicContact CG-CE2 4.23Å
69	H	52.3	Low	51.5	Low	66 Å²	66	94.6 Å²	94.6	31%	0.306	46%	0.461	S	S	.	.	H	α-helix	trans	-64.9	-42.5	176.9	178.5	-88.3	0	0	0	112.4	R65 G66 L67 R72 K73	R65-H69 WeakPolarHBondContact O-CB 3.26Å; R65-H69 PolarHBondContact O-N 3.2Å; G66-H69 WeakPolarHBondContact O-CB 3.34Å; G66-H69 PolarHBondContact O-N 3.32Å; L67-H69 VanDerWaalsContact C-N 3.28Å; L67-H69 PolarHBondContact O-N 2.92Å; H69-R72 PolarHBondContact O-N 3.23Å; H69-K73 PolarHBondContact O-N 2.88Å
70	E	45.9	Very low	53.1	Low	98 Å²	98	87.4 Å²	87.4	46%	0.458	44%	0.436	S	S	.	.	H	α-helix	trans	-71.6	-39.5	176.1	-69.4	-55	127.9	0	0	112.2	G66 L67 R72 K73	G66-E70 PolarHBondContact O-N 2.92Å; L67-E70 PolarHBondContact O-N 3.24Å; E70-R72 VanDerWaalsContact C-N 3.3Å; E70-R72 PolarHBondContact O-N 3.07Å; E70-K73 PolarHBondContact O-N 2.97Å; E70-K73 IonicContact OE1-NZ 3.61Å
71	L	52.1	Low	54.8	Low	23 Å²	23	86.2 Å²	86.2	12%	0.12	43%	0.427	C	S	.	.	H	α-helix	trans	-61.6	-37.1	171.2	-65.2	168	0	0	0	111.8	L67 K73 G74 A76 Q80 L86	L67-L71 HydrophobicContact CD2-CD1 4.44Å; L67-L71 HydrophobicContact CG-CD1 3.98Å; L67-L71 HydrophobicContact CG-CG 4.45Å; L67-L71 WeakPolarHBondContact O-CB 3.43Å; L67-L71 WeakPolarHBondContact O-CG 3.46Å; L67-L71 PolarHBondContact O-N 2.89Å; L71-K73 PolarHBondContact O-N 3.12Å; L71-G74 PolarHBondContact O-N 3.28Å; L71-G74 VanDerWaalsContact O-N 3.11Å; L71-A76 HydrophobicContact CB-CB 4.43Å; L71-A76 HydrophobicContact CD2-CB 3.24Å; L71-A76 HydrophobicContact CG-CB 4.41Å; L71-Q80 HydrophobicContact CD2-CB 4Å; L71-L86 HydrophobicContact CD1-CD1 3.94Å; L71-L86 HydrophobicContact CD2-CD1 4.36Å
72	R	52.8	Low	56	Low	94 Å²	94	92.1 Å²	92.1	36%	0.355	44%	0.444	S	S	.	.	T	Hydrogen-bonded Turn	trans	-67.7	-15.7	178.4	-80.3	163.4	-179.4	-169.3	-8	114	L68 H69 E70 V116	L68-R72 WeakPolarHBondContact O-CB 3.4Å; L68-R72 WeakPolarHBondContact O-CD 3.42Å; L68-R72 WeakPolarHBondContact O-CG 3.47Å; L68-R72 PolarHBondContact O-N 3.19Å; H69-R72 PolarHBondContact O-N 3.23Å; E70-R72 VanDerWaalsContact C-N 3.3Å; E70-R72 PolarHBondContact O-N 3.07Å; R72-V116 PolarHBondContact NH2-O 3.48Å
73	K	51.3	Low	57.4	Low	128 Å²	128	92.4 Å²	92.4	56%	0.557	45%	0.449	S	S	*	.	T	Hydrogen-bonded Turn	trans	-81	-0.9	171.6	-77.5	-178.7	179.9	165.7	0	113.5	H69 E70 L71 N75	H69-K73 PolarHBondContact O-N 2.88Å; E70-K73 PolarHBondContact O-N 2.97Å; E70-K73 IonicContact OE1-NZ 3.61Å; L71-K73 PolarHBondContact O-N 3.12Å; K73-N75 VanDerWaalsContact C-N 3.35Å
74	G	49.1	Very low	58.9	Low	65 Å²	65	87.7 Å²	87.7	67%	0.67	43%	0.433	S	S	*	.	T	Hydrogen-bonded Turn	trans	84.5	6.9	178.7	0	0	0	0	0	114.4	L71	L71-G74 PolarHBondContact O-N 3.28Å; L71-G74 VanDerWaalsContact O-N 3.11Å
75	N	49.9	Very low	60.4	Low	126 Å²	126	88.2 Å²	88.2	67%	0.674	44%	0.441	S	S	*	.			trans	-101.9	28	179.8	-70.1	-3	0	0	0	112.5	K73 T77	K73-N75 VanDerWaalsContact C-N 3.35Å; N75-T77 PolarHBondContact O-N 2.92Å
76	A	59.7	Low	62.1	Low	21 Å²	21	83.5 Å²	83.5	17%	0.174	42%	0.424	C	S	.	.			trans	-65.1	118.1	172.6	0	0	0	0	0	109.3	L71 I81	L71-A76 HydrophobicContact CB-CB 4.43Å; L71-A76 HydrophobicContact CD2-CB 3.24Å; L71-A76 HydrophobicContact CG-CB 4.41Å; A76-I81 HydrophobicContact CB-CD1 4.23Å; A76-I81 HydrophobicContact CB-CG1 3.98Å
77	T	67.6	Low	64.2	Low	73 Å²	73	84.6 Å²	84.6	45%	0.448	42%	0.423	S	S	.	.			trans	-66.1	150.4	174.7	62.7	0	0	0	0	109.4	N75 E79 Q80 I81	N75-T77 PolarHBondContact O-N 2.92Å; T77-E79 PolarHBondContact O-N 3.18Å; T77-Q80 VanDerWaalsContact N-OE1 3.07Å; T77-Q80 PolarHBondContact O-N 2.87Å; T77-Q80 WeakPolarHBondContact OG1-CG 3.48Å; T77-Q80 PolarHBondContact OG1-N 2.98Å; T77-I81 PolarHBondContact O-N 2.88Å; T77-I81 VanDerWaalsContact O-N 3.11Å
78	K	68.2	Low	66.2	Low	183 Å²	183	85.3 Å²	85.3	80%	0.796	43%	0.425	S	S	*	.	H	α-helix	trans	-52	-31.2	176.3	-72.7	-178.3	177.7	177.7	0	112.1	R82	K78-R82 WeakPolarHBondContact O-CG 3.44Å; K78-R82 PolarHBondContact O-N 3.15Å
79	E	64.8	Low	68.3	Low	140 Å²	140	85.4 Å²	85.4	65%	0.654	42%	0.424	S	S	*	.	H	α-helix	trans	-68.6	-45.6	176.7	-165.3	168.9	-168.3	0	0	112.5	T77 I81 R82 L83	T77-E79 PolarHBondContact O-N 3.18Å; E79-I81 VanDerWaalsContact C-N 3.32Å; E79-I81 PolarHBondContact O-N 2.79Å; E79-R82 PolarHBondContact O-N 3.23Å; E79-L83 HydrophobicContact CG-CD1 3.95Å; E79-L83 WeakPolarHBondContact O-CB 3.47Å; E79-L83 VanDerWaalsContact O-CG 3.26Å; E79-L83 WeakPolarHBondContact O-CG 3.1Å; E79-L83 PolarHBondContact O-N 3Å
80	Q	68.1	Low	70.5	Confident	60 Å²	60	84.2 Å²	84.2	28%	0.28	42%	0.42	S	S	.	.	H	α-helix	trans	-62.9	-36.9	174.6	-72.1	169.3	-22.9	0	0	112.7	L71 T77 H84	L71-Q80 HydrophobicContact CD2-CB 4Å; T77-Q80 VanDerWaalsContact N-OE1 3.07Å; T77-Q80 PolarHBondContact O-N 2.87Å; T77-Q80 WeakPolarHBondContact OG1-CG 3.48Å; T77-Q80 PolarHBondContact OG1-N 2.98Å; Q80-H84 WeakPolarHBondContact O-CB 3.39Å; Q80-H84 PolarHBondContact O-CD2 2.64Å; Q80-H84 PolarHBondContact O-N 3.09Å; Q80-H84 VanDerWaalsContact O-N 3.15Å
81	I	74.2	Confident	73	Confident	35 Å²	35	79.6 Å²	79.6	18%	0.179	40%	0.399	C	S	.	.	H	α-helix	trans	-62	-45.9	176.4	-66.9	168.3	0	0	0	110.4	A76 T77 E79 N85 L86 F145	A76-I81 HydrophobicContact CB-CD1 4.23Å; A76-I81 HydrophobicContact CB-CG1 3.98Å; T77-I81 PolarHBondContact O-N 2.88Å; T77-I81 VanDerWaalsContact O-N 3.11Å; E79-I81 VanDerWaalsContact C-N 3.32Å; E79-I81 PolarHBondContact O-N 2.79Å; I81-N85 PolarHBondContact O-N 3.48Å; I81-L86 HydrophobicContact CG2-CB 4.27Å; I81-L86 PolarHBondContact O-N 2.93Å; I81-F145 HydrophobicContact CD1-CD1 4.46Å; I81-F145 HydrophobicContact CD1-CD2 4.18Å; I81-F145 HydrophobicContact CD1-CE1 4.07Å; I81-F145 HydrophobicContact CD1-CE2 3.78Å; I81-F145 HydrophobicContact CD1-CZ 3.73Å; I81-F145 HydrophobicContact CG1-CD1 4.43Å; I81-F145 HydrophobicContact CG1-CE1 4.41Å; I81-F145 HydrophobicContact CG2-CD1 4.09Å; I81-F145 HydrophobicContact CG2-CE1 3.77Å; I81-F145 HydrophobicContact CG2-CZ 4.41Å
82	R	71.3	Confident	75.2	Confident	206 Å²	206	84.1 Å²	84.1	78%	0.777	41%	0.414	S	S	*	.	H	α-helix	trans	-67.8	-47.9	177.9	-74.1	-178.7	176.6	-178	-1.8	112.2	K78 E79 H84 N85	K78-R82 WeakPolarHBondContact O-CG 3.44Å; K78-R82 PolarHBondContact O-N 3.15Å; E79-R82 PolarHBondContact O-N 3.23Å; R82-H84 PolarHBondContact O-N 3.32Å; R82-N85 PolarHBondContact O-N 3.28Å; R82-N85 PolarHBondContact O-OD1 3.42Å
83	L	75.8	Confident	77.4	Confident	122 Å²	122	79.6 Å²	79.6	64%	0.639	40%	0.397	S	S	*	.	H	α-helix	trans	-58.9	-32.9	-178.9	-76.7	166.9	0	0	0	113.1	E79	E79-L83 HydrophobicContact CG-CD1 3.95Å; E79-L83 WeakPolarHBondContact O-CB 3.47Å; E79-L83 VanDerWaalsContact O-CG 3.26Å; E79-L83 WeakPolarHBondContact O-CG 3.1Å; E79-L83 PolarHBondContact O-N 3Å
84	H	76.1	Confident	79.6	Confident	72 Å²	72	73.5 Å²	73.5	33%	0.333	37%	0.371	S	S	.	.	T	Hydrogen-bonded Turn	trans	-106.3	8.7	-176	-68.9	-55.8	0	0	0	114.3	L67 Q80 R82 L86 F147	L67-H84 WeakPolarHBondContact CD2-NE2 3.46Å; Q80-H84 WeakPolarHBondContact O-CB 3.39Å; Q80-H84 PolarHBondContact O-CD2 2.64Å; Q80-H84 PolarHBondContact O-N 3.09Å; Q80-H84 VanDerWaalsContact O-N 3.15Å; R82-H84 PolarHBondContact O-N 3.32Å; H84-L86 HydrophobicContact CB-CD1 4.35Å; H84-L86 HydrophobicContact CB-CD2 4.43Å; H84-L86 HydrophobicContact CB-CG 3.93Å; H84-L86 PolarHBondContact O-N 2.92Å; H84-F147 HydrophobicContact CB-CE1 3.89Å; H84-F147 HydrophobicContact CB-CZ 4.28Å; H84-F147 WeakPolarHBondContact O-CE1 3.4Å
85	N	83.4	Confident	82	Confident	123 Å²	123	70.4 Å²	70.4	66%	0.658	34%	0.339	S	S	*	.	T	Hydrogen-bonded Turn	trans	48.1	42.4	-177.6	-67.6	-37.5	0	0	0	112.6	I81 R82	I81-N85 PolarHBondContact O-N 3.48Å; R82-N85 PolarHBondContact O-N 3.28Å; R82-N85 PolarHBondContact O-OD1 3.42Å
86	L	89.2	Confident	84.3	Confident	12 Å²	12	64.4 Å²	64.4	6%	0.063	31%	0.307	C	S	.	.			trans	-76.4	136.4	-180	-65.3	175.7	0	0	0	110.2	L71 I81 H84 F145 F147	L71-L86 HydrophobicContact CD1-CD1 3.94Å; L71-L86 HydrophobicContact CD2-CD1 4.36Å; I81-L86 HydrophobicContact CG2-CB 4.27Å; I81-L86 PolarHBondContact O-N 2.93Å; H84-L86 HydrophobicContact CB-CD1 4.35Å; H84-L86 HydrophobicContact CB-CD2 4.43Å; H84-L86 HydrophobicContact CB-CG 3.93Å; H84-L86 PolarHBondContact O-N 2.92Å; L86-F145 HydrophobicContact CB-CB 4.13Å; L86-F145 HydrophobicContact CB-CD1 4Å; L86-F145 HydrophobicContact CB-CG 4.44Å; L86-F145 HydrophobicContact CD1-CB 4.47Å; L86-F147 HydrophobicContact CD2-CD1 3.75Å; L86-F147 HydrophobicContact CD2-CD2 4.07Å; L86-F147 HydrophobicContact CD2-CE1 3.73Å; L86-F147 HydrophobicContact CD2-CE2 4.02Å; L86-F147 HydrophobicContact CD2-CG 3.93Å; L86-F147 HydrophobicContact CD2-CZ 3.85Å
87	V	91.9	Very high	86.2	Confident	64 Å²	64	63.4 Å²	63.4	39%	0.388	30%	0.298	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.2	150.6	-179.4	-69.8	0	0	0	0	111.2	Q89 S146	V87-Q89 HydrophobicContact CG2-CG 3.65Å; V87-S146 PolarHBondContact N-O 3.38Å; V87-S146 PolarHBondContact O-N 3.08Å; V87-S146 PolarHBondContact O-OG 3.25Å
88	Q	94.6	Very high	87.6	Confident	54 Å²	54	60 Å²	60	25%	0.252	28%	0.277	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.2	111.4	166.5	-64.5	-179.1	-75.6	0	0	108.1	R140 E141 M143 F145	Q88-R140 HydrophobicContact CB-CG 4.28Å; Q88-R140 WeakPolarHBondContact O-CD 3.35Å; Q88-R140 VanDerWaalsContact O-CG 3.3Å; Q88-R140 WeakPolarHBondContact O-CG 3.37Å; Q88-E141 VanDerWaalsContact NE2-C 3.31Å; Q88-E141 PolarHBondContact NE2-O 3.11Å; Q88-M143 WeakPolarHBondContact CG-O 2.97Å; Q88-M143 PolarHBondContact NE2-O 3.38Å; Q88-F145 HydrophobicContact CG-CD1 3.93Å; Q88-F145 HydrophobicContact CG-CD2 4.27Å; Q88-F145 HydrophobicContact CG-CE1 3.8Å; Q88-F145 HydrophobicContact CG-CE2 4.14Å; Q88-F145 HydrophobicContact CG-CG 4.16Å; Q88-F145 HydrophobicContact CG-CZ 3.89Å
89	Q	95.6	Very high	89.1	Confident	28 Å²	28	55.8 Å²	55.8	13%	0.131	26%	0.256	C	S	.	.			trans	-104.9	139.7	-179.7	-59.2	-178.4	79.4	0	0	109.4	V87 M143 S146 F147	V87-Q89 HydrophobicContact CG2-CG 3.65Å; Q89-M143 VanDerWaalsContact O-CB 3.3Å; Q89-M143 WeakPolarHBondContact O-CB 3.44Å; Q89-M143 VanDerWaalsContact O-CG 3.26Å; Q89-M143 WeakPolarHBondContact O-CG 3.03Å; Q89-S146 PolarHBondContact NE2-OG 3.35Å; Q89-F147 PolarHBondContact NE2-O 3.23Å
90	L	98.3	Very high	90.7	Very high	41 Å²	41	50.6 Å²	50.6	22%	0.215	23%	0.232	C	C	.	.			trans	-55.6	148.9	165.8	-69.2	176.2	0	0	0	110.3	R92 I136 Y139 R140 M172	L90-R92 PolarHBondContact O-N 2.72Å; L90-I136 HydrophobicContact CD1-CD1 4.03Å; L90-I136 HydrophobicContact CD1-CG1 3.79Å; L90-I136 HydrophobicContact CD2-CD1 3.78Å; L90-I136 HydrophobicContact CD2-CG1 4.02Å; L90-Y139 HydrophobicContact CD2-CD1 3.67Å; L90-Y139 HydrophobicContact CD2-CE1 4.29Å; L90-R140 HydrophobicContact CD2-CB 3.85Å; L90-R140 HydrophobicContact CD2-CG 4.41Å; L90-R140 HydrophobicContact CG-CB 4.41Å; L90-M172 HydrophobicContact CD1-CG 4.35Å; L90-M172 HydrophobicContact CD1-SD 4.32Å; L90-M172 HydrophobicContact CD2-SD 4.37Å
91	P	98.3	Very high	92.1	Very high	2 Å²	2	47.8 Å²	47.8	1%	0.013	22%	0.218	C	C	.	.			trans	-63.6	136.1	-179.1	25.8	-32.2	0	0	0	111	I94 Y139 M143 T152 E154 I176	P91-I94 HydrophobicContact CB-CG1 4.09Å; P91-I94 HydrophobicContact CG-CD1 4.11Å; P91-I94 HydrophobicContact CG-CG1 3.98Å; P91-Y139 HydrophobicContact CG-CE1 3.76Å; P91-Y139 WeakPolarHBondContact CG-OH 3.41Å; P91-M143 HydrophobicContact CG-SD 4.4Å; P91-T152 VanDerWaalsContact CA-O 3.29Å; P91-T152 WeakPolarHBondContact CA-O 3.2Å; P91-T152 HydrophobicContact CB-CG2 4.36Å; P91-E154 HydrophobicContact CB-CB 4.22Å; P91-E154 HydrophobicContact CG-CB 4.32Å; P91-I176 WeakPolarHBondContact O-CD1 3.43Å
92	R	98.3	Very high	93.2	Very high	117 Å²	117	47.4 Å²	47.4	44%	0.442	22%	0.223	S	C	.	.	S	Bend	trans	-90.4	-15.2	171.1	-64.2	-172.5	-169.9	161.8	10.5	112.1	L90 P148 T152 I176 K177	L90-R92 PolarHBondContact O-N 2.72Å; R92-P148 PolarHBondContact NH2-O 2.83Å; R92-P148 VanDerWaalsContact NH2-O 3.17Å; R92-T152 PolarHBondContact N-O 3.01Å; R92-T152 VanDerWaalsContact N-O 3.08Å; R92-I176 WeakPolarHBondContact O-CG1 3.45Å; R92-K177 PolarHBondContact O-N 3.37Å
93	A	98.8	Very high	94.5	Very high	0 Å²	0	38.1 Å²	38.1	0%	0	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.7	147.2	168.9	0	0	0	0	0	111.5	I153 E154 K177 L273	A93-I153 HydrophobicContact CB-CG1 4.36Å; A93-I153 WeakPolarHBondContact O-CA 3.44Å; A93-E154 PolarHBondContact O-N 2.95Å; A93-K177 CarbonylContact C-O 3.48Å; A93-K177 WeakPolarHBondContact CA-O 3.45Å; A93-K177 HydrophobicContact CB-CB 4.14Å; A93-L273 HydrophobicContact CB-CD2 3.58Å
94	I	98.9	Very high	95.5	Very high	0 Å²	0	35.7 Å²	35.7	0%	0	17%	0.172	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.1	130.3	178.3	-56.2	175.9	0	0	0	109.6	P91 I96 F126 E154 Y159 I169 M172 I176 K177 L178 L179	P91-I94 HydrophobicContact CB-CG1 4.09Å; P91-I94 HydrophobicContact CG-CD1 4.11Å; P91-I94 HydrophobicContact CG-CG1 3.98Å; I94-I96 HydrophobicContact CB-CG2 4.03Å; I94-I96 HydrophobicContact CG2-CG2 3.63Å; I94-I96 PolarHBondContact O-N 3.49Å; I94-F126 HydrophobicContact CD1-CE2 4.08Å; I94-E154 WeakPolarHBondContact CA-O 3.37Å; I94-Y159 HydrophobicContact CG2-CD2 3.98Å; I94-Y159 HydrophobicContact CG2-CE2 4.03Å; I94-I169 HydrophobicContact CD1-CD1 4.2Å; I94-I169 HydrophobicContact CD1-CG2 4.36Å; I94-M172 HydrophobicContact CD1-CE 4.27Å; I94-I176 HydrophobicContact CD1-CD1 3.58Å; I94-I176 HydrophobicContact CG1-CD1 3.72Å; I94-K177 PolarHBondContact N-O 2.83Å; I94-L178 HydrophobicContact CB-CD2 4.32Å; I94-L179 PolarHBondContact O-N 2.94Å
95	I	98.9	Very high	96.6	Very high	0 Å²	0	33.1 Å²	33.1	0%	0	16%	0.163	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.7	94.8	167.2	-56.3	169.1	0	0	0	107.8	T103 L106 L107 L110 I153 E154 K155 S156 L179	I95-T103 HydrophobicContact CG2-CG2 3.85Å; I95-L106 HydrophobicContact CD1-CB 4.38Å; I95-L106 HydrophobicContact CD1-CD2 3.94Å; I95-L106 HydrophobicContact CD1-CG 3.93Å; I95-L106 HydrophobicContact CG1-CD2 4.2Å; I95-L106 HydrophobicContact CG2-CD2 4.27Å; I95-L107 HydrophobicContact CD1-CB 3.88Å; I95-L107 HydrophobicContact CD1-CD1 3.88Å; I95-L110 HydrophobicContact CD1-CD1 4.39Å; I95-I153 HydrophobicContact CD1-CG2 4.19Å; I95-I153 HydrophobicContact CG1-CG2 4.09Å; I95-E154 PolarHBondContact N-O 3.33Å; I95-K155 HydrophobicContact CB-CB 3.94Å; I95-K155 HydrophobicContact CB-CG 3.78Å; I95-K155 HydrophobicContact CD1-CB 4.33Å; I95-K155 HydrophobicContact CD1-CG 4.32Å; I95-K155 HydrophobicContact CG2-CG 3.86Å; I95-K155 WeakPolarHBondContact O-CA 3.3Å; I95-S156 PolarHBondContact O-N 3.14Å; I95-L179 WeakPolarHBondContact CA-O 3.32Å; I95-L179 HydrophobicContact CB-CB 4.37Å; I95-L179 HydrophobicContact CG1-CB 3.87Å; I95-L179 HydrophobicContact CG1-CD1 3.87Å
96	I	98.9	Very high	97.3	Very high	0 Å²	0	27.3 Å²	27.3	0%	0	13%	0.132	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.9	-16.4	-171.7	58.4	172.2	0	0	0	113.1	I94 P157 Y159 F160 I169 L178 L179 I180 W241 F250	I94-I96 HydrophobicContact CB-CG2 4.03Å; I94-I96 HydrophobicContact CG2-CG2 3.63Å; I94-I96 PolarHBondContact O-N 3.49Å; I96-P157 CarbonylContact O-C 3.6Å; I96-P157 WeakPolarHBondContact O-CA 3.49Å; I96-Y159 HydrophobicContact CG2-CD2 4.28Å; I96-F160 HydrophobicContact CD1-CD2 4.17Å; I96-F160 HydrophobicContact CG1-CD2 4.47Å; I96-F160 VanDerWaalsContact O-CB 3.31Å; I96-F160 WeakPolarHBondContact O-CB 3.42Å; I96-F160 PolarHBondContact O-N 3.24Å; I96-I169 HydrophobicContact CG2-CD1 4.38Å; I96-L178 HydrophobicContact CD1-CB 4.27Å; I96-L178 HydrophobicContact CG2-CD2 3.82Å; I96-L179 PolarHBondContact N-O 3.02Å; I96-I180 HydrophobicContact CD1-CD1 4.04Å; I96-I180 HydrophobicContact CD1-CG1 3.71Å; I96-I180 HydrophobicContact CG1-CG1 3.73Å; I96-W241 HydrophobicContact CB-CH2 3.8Å; I96-W241 HydrophobicContact CB-CZ2 4Å; I96-W241 HydrophobicContact CD1-CD2 3.72Å; I96-W241 HydrophobicContact CD1-CE3 3.7Å; I96-W241 HydrophobicContact CD1-CH2 3.53Å; I96-W241 HydrophobicContact CD1-CZ2 3.57Å; I96-W241 HydrophobicContact CD1-CZ3 3.61Å; I96-W241 HydrophobicContact CG1-CH2 4.27Å; I96-W241 HydrophobicContact CG1-CZ2 4.32Å; I96-W241 HydrophobicContact CG2-CH2 3.53Å; I96-W241 HydrophobicContact CG2-CZ2 4.24Å; I96-W241 HydrophobicContact CG2-CZ3 4.04Å; I96-F250 HydrophobicContact CD1-CE1 4.15Å
97	G	98.5	Very high	97.8	Very high	0 Å²	0	26.8 Å²	26.8	0%	0	13%	0.129	C	C	.	.	E	Extended strand (participates in β ladder)	trans	173.3	-175.6	-174.1	0	0	0	0	0	114.1	T103 I180 I181	G97-T103 WeakPolarHBondContact O-CG2 2.97Å; G97-I180 CarbonylContact O-C 3.57Å; G97-I180 WeakPolarHBondContact O-CA 3.39Å; G97-I181 WeakPolarHBondContact O-CG2 3.24Å; G97-I181 PolarHBondContact O-N 3.47Å
98	V	98.4	Very high	98	Very high	0 Å²	0	24 Å²	24	0%	0	11%	0.112	C	C	.	.			cis	-95.9	155.4	-5.6	-50	0	0	0	0	111.1	K100 G101 T103 F160 I180 I181 V182 R188 Y234	V98-K100 PolarHBondContact O-N 2.66Å; V98-G101 PolarHBondContact O-N 2.81Å; V98-T103 WeakPolarHBondContact O-CG2 3.31Å; V98-F160 HydrophobicContact CB-CD1 4.25Å; V98-F160 HydrophobicContact CG1-CD1 3.41Å; V98-F160 VanDerWaalsContact CG1-CD1 3.41Å; V98-F160 HydrophobicContact CG1-CE1 3.43Å; V98-F160 VanDerWaalsContact CG1-CE1 3.43Å; V98-F160 HydrophobicContact CG1-CG 4.02Å; V98-F160 HydrophobicContact CG1-CZ 4.1Å; V98-I180 HydrophobicContact CG1-CG2 3.93Å; V98-I181 WeakPolarHBondContact CG2-O 3.46Å; V98-I181 PolarHBondContact N-O 3.31Å; V98-V182 HydrophobicContact CG1-CG1 4.07Å; V98-R188 HydrophobicContact CG2-CG 4.25Å; V98-Y234 HydrophobicContact CB-CE1 4.36Å; V98-Y234 HydrophobicContact CG1-CD1 4.08Å; V98-Y234 HydrophobicContact CG1-CE1 4.1Å; V98-Y234 HydrophobicContact CG2-CE1 3.82Å
99	R	98.3	Very high	98.2	Very high	95 Å²	95	21.8 Å²	21.8	36%	0.358	10%	0.102	S	C	.	.	T	Hydrogen-bonded Turn	trans	-53.2	128.9	171.8	-176.2	-174.1	155.2	141.5	-5.7	109.2	G101 P157 R188 D192	R99-G101 PolarHBondContact O-N 3.15Å; R99-P157 HydrophobicContact CB-CB 4.19Å; R99-R188 PolarHBondContact O-NH1 3.35Å; R99-D192 IonicContact CZ-OD1 2.81Å; R99-D192 IonicContact NE-OD1 3.69Å; R99-D192 PolarHBondContact NE-OD1 3.22Å; R99-D192 IonicContact NE-OD2 3.39Å; R99-D192 PolarHBondContact NE-OD2 3.03Å; R99-D192 IonicContact NH2-OD1 3.95Å; R99-D192 PolarHBondContact NH2-OD1 3.15Å
100	K	98.1	Very high	98.3	Very high	32 Å²	32	20.5 Å²	20.5	14%	0.139	10%	0.096	C	C	.	.	T	Hydrogen-bonded Turn	trans	68.3	4.2	-173.6	-45.8	-55.8	-55	-158.2	0	116.8	V98 G102 R188 S191 D192 Q195	V98-K100 PolarHBondContact O-N 2.66Å; K100-G102 VanDerWaalsContact C-N 3.26Å; K100-G102 PolarHBondContact O-N 3.03Å; K100-R188 HydrophobicContact CB-CG 4.13Å; K100-S191 WeakPolarHBondContact CE-O 3.2Å; K100-S191 WeakPolarHBondContact CE-OG 3.14Å; K100-S191 PolarHBondContact NZ-O 3.29Å; K100-D192 HydrophobicContact CG-CB 3.87Å; K100-Q195 HydrophobicContact CD-CB 4.5Å
101	G	97.9	Very high	98.2	Very high	0 Å²	0	19.2 Å²	19.2	0%	0	9%	0.089	C	C	.	.	T	Hydrogen-bonded Turn	trans	-71.8	-15.8	174.4	0	0	0	0	0	114.5	V98 R99 I181 R183	V98-G101 PolarHBondContact O-N 2.81Å; R99-G101 PolarHBondContact O-N 3.15Å; G101-I181 VanDerWaalsContact O-CD1 3.31Å; G101-I181 WeakPolarHBondContact O-CD1 3.44Å; G101-I181 VanDerWaalsContact O-CG1 3.32Å; G101-I181 WeakPolarHBondContact O-CG1 3.38Å; G101-R183 WeakPolarHBondContact O-CD 3.38Å; G101-R183 WeakPolarHBondContact O-CG 3.35Å
102	G	97.9	Very high	98.2	Very high	27 Å²	27	19.4 Å²	19.4	28%	0.278	9%	0.09	S	C	.	.	T	Hydrogen-bonded Turn	trans	111.7	14	-174.9	0	0	0	0	0	113.9	K100 R104 A105 L106	K100-G102 VanDerWaalsContact C-N 3.26Å; K100-G102 PolarHBondContact O-N 3.03Å; G102-R104 PolarHBondContact O-N 3.31Å; G102-A105 WeakPolarHBondContact O-CA 3.45Å; G102-A105 WeakPolarHBondContact O-CB 3.35Å; G102-A105 PolarHBondContact O-N 2.69Å; G102-L106 PolarHBondContact O-N 2.94Å
103	T	98.4	Very high	98.1	Very high	11 Å²	11	14 Å²	14	7%	0.067	7%	0.07	C	C	.	.	H	α-helix	trans	-47.2	-40	-177.9	56.7	0	0	0	0	114.3	I95 G97 V98 L107 K155 P157 I181	I95-T103 HydrophobicContact CG2-CG2 3.85Å; G97-T103 WeakPolarHBondContact O-CG2 2.97Å; V98-T103 WeakPolarHBondContact O-CG2 3.31Å; T103-L107 WeakPolarHBondContact O-CB 3.44Å; T103-L107 PolarHBondContact O-N 2.85Å; T103-K155 WeakPolarHBondContact O-CD 3.47Å; T103-P157 HydrophobicContact CG2-CB 4.13Å; T103-P157 HydrophobicContact CG2-CG 3.96Å; T103-P157 VanDerWaalsContact OG1-CG 3.31Å; T103-P157 WeakPolarHBondContact OG1-CG 3.23Å; T103-I181 HydrophobicContact CG2-CG2 3.44Å; T103-I181 VanDerWaalsContact CG2-CG2 3.44Å
104	R	97.7	Very high	97.9	Very high	71 Å²	71	16.4 Å²	16.4	27%	0.268	9%	0.085	S	C	.	.	H	α-helix	trans	-69.4	-38.7	176.6	-176	58.9	134	-161.1	-5.5	112.5	G102 E108 S120	G102-R104 PolarHBondContact O-N 3.31Å; R104-E108 HydrophobicContact CG-CG 4.39Å; R104-E108 IonicContact NE-OE1 3.15Å; R104-E108 VanDerWaalsContact O-CG 3.27Å; R104-E108 WeakPolarHBondContact O-CG 3.48Å; R104-E108 PolarHBondContact O-N 3.43Å; R104-E108 VanDerWaalsContact O-N 3.09Å; R104-S120 PolarHBondContact NH1-O 3.1Å; R104-S120 PolarHBondContact NH2-O 3.23Å
105	A	97.9	Very high	97.8	Very high	19 Å²	19	17.2 Å²	17.2	16%	0.157	9%	0.092	C	C	.	.	H	α-helix	trans	-63.1	-50.1	176.6	0	0	0	0	0	109.9	G102 L107 E108 M109 L258 L305	G102-A105 WeakPolarHBondContact O-CA 3.45Å; G102-A105 WeakPolarHBondContact O-CB 3.35Å; G102-A105 PolarHBondContact O-N 2.69Å; A105-L107 PolarHBondContact O-N 3.27Å; A105-E108 PolarHBondContact O-N 3.01Å; A105-M109 WeakPolarHBondContact O-CB 3.42Å; A105-M109 VanDerWaalsContact O-CG 3.29Å; A105-M109 WeakPolarHBondContact O-CG 3.31Å; A105-M109 PolarHBondContact O-N 3.07Å; A105-L258 HydrophobicContact CB-CD2 4.4Å; A105-L305 HydrophobicContact CB-CD1 3.55Å
106	L	98.7	Very high	97.8	Very high	0 Å²	0	17.2 Å²	17.2	0%	0	9%	0.092	C	C	.	.	H	α-helix	trans	-53.6	-51	176	-179.5	60.3	0	0	0	111.9	I95 G102 E108 M109 L110 I181 V253 L258 L266 V269	I95-L106 HydrophobicContact CD1-CB 4.38Å; I95-L106 HydrophobicContact CD1-CD2 3.94Å; I95-L106 HydrophobicContact CD1-CG 3.93Å; I95-L106 HydrophobicContact CG1-CD2 4.2Å; I95-L106 HydrophobicContact CG2-CD2 4.27Å; G102-L106 PolarHBondContact O-N 2.94Å; L106-E108 PolarHBondContact O-N 3.42Å; L106-M109 PolarHBondContact O-N 2.92Å; L106-L110 HydrophobicContact CD1-CD1 3.91Å; L106-L110 HydrophobicContact CD1-CD2 4.46Å; L106-L110 HydrophobicContact CD1-CG 3.99Å; L106-L110 HydrophobicContact CG-CD1 3.96Å; L106-L110 HydrophobicContact CG-CG 4.41Å; L106-L110 WeakPolarHBondContact O-CB 3.37Å; L106-L110 VanDerWaalsContact O-CG 3.28Å; L106-L110 WeakPolarHBondContact O-CG 3.39Å; L106-L110 PolarHBondContact O-N 3.42Å; L106-I181 HydrophobicContact CB-CD1 4.2Å; L106-I181 HydrophobicContact CD2-CB 4.1Å; L106-I181 HydrophobicContact CD2-CG2 4.26Å; L106-V253 HydrophobicContact CD1-CG1 4.38Å; L106-V253 HydrophobicContact CD1-CG2 4.34Å; L106-V253 HydrophobicContact CD2-CB 4.42Å; L106-V253 HydrophobicContact CD2-CG2 3.92Å; L106-L258 HydrophobicContact CB-CD2 4.11Å; L106-L266 HydrophobicContact CD1-CD2 4.1Å; L106-V269 HydrophobicContact CD1-CG2 4.27Å
107	L	98.6	Very high	97.7	Very high	2 Å²	2	17.4 Å²	17.4	1%	0.01	9%	0.094	C	C	.	.	H	α-helix	trans	-61.4	-43	-179.7	-172.8	70.9	0	0	0	113	I95 T103 A105 N111 K118 I153 K155	I95-L107 HydrophobicContact CD1-CB 3.88Å; I95-L107 HydrophobicContact CD1-CD1 3.88Å; T103-L107 WeakPolarHBondContact O-CB 3.44Å; T103-L107 PolarHBondContact O-N 2.85Å; A105-L107 PolarHBondContact O-N 3.27Å; L107-N111 WeakPolarHBondContact O-CB 3.29Å; L107-N111 PolarHBondContact O-N 2.75Å; L107-K118 HydrophobicContact CD1-CB 3.65Å; L107-K118 HydrophobicContact CD2-CB 4.11Å; L107-K118 HydrophobicContact CD2-CD 4.09Å; L107-K118 HydrophobicContact CG-CB 3.78Å; L107-K118 HydrophobicContact CG-CD 3.87Å; L107-K118 HydrophobicContact CG-CG 4.41Å; L107-I153 HydrophobicContact CD1-CB 4.17Å; L107-I153 HydrophobicContact CD1-CG2 3.74Å; L107-K155 HydrophobicContact CB-CD 4.09Å; L107-K155 HydrophobicContact CD1-CB 4.31Å; L107-K155 HydrophobicContact CD2-CB 3.9Å; L107-K155 HydrophobicContact CD2-CD 4.1Å; L107-K155 HydrophobicContact CG-CB 4.48Å
108	E	97.8	Very high	97.6	Very high	6 Å²	6	19 Å²	19	3%	0.028	10%	0.101	C	C	.	.	H	α-helix	trans	-70.6	-36.2	-179.9	-64.6	-71.6	141.5	0	0	111.6	R104 A105 L106 N111 K118 L295 K303 L305	R104-E108 HydrophobicContact CG-CG 4.39Å; R104-E108 IonicContact NE-OE1 3.15Å; R104-E108 VanDerWaalsContact O-CG 3.27Å; R104-E108 WeakPolarHBondContact O-CG 3.48Å; R104-E108 PolarHBondContact O-N 3.43Å; R104-E108 VanDerWaalsContact O-N 3.09Å; A105-E108 PolarHBondContact O-N 3.01Å; L106-E108 PolarHBondContact O-N 3.42Å; E108-N111 PolarHBondContact O-N 3.27Å; E108-K118 WeakPolarHBondContact OE1-CE 3.37Å; E108-K118 IonicContact OE1-NZ 2.87Å; E108-K118 PolarHBondContact OE1-NZ 3.3Å; E108-K118 IonicContact OE2-NZ 3.64Å; E108-L295 HydrophobicContact CB-CD1 3.67Å; E108-K303 IonicContact OE2-NZ 3.44Å; E108-K303 PolarHBondContact OE2-NZ 3.37Å; E108-L305 HydrophobicContact CB-CD2 3.99Å; E108-L305 HydrophobicContact CG-CD2 3.86Å
109	M	98.4	Very high	97.5	Very high	7 Å²	7	19.1 Å²	19.1	3%	0.034	10%	0.101	C	C	.	.	H	α-helix	trans	-67.3	-45.3	175	-73.5	170.7	172.6	0	0	111.9	A105 L106 N111 L112 L258 P262 L266 L284 L295	A105-M109 WeakPolarHBondContact O-CB 3.42Å; A105-M109 VanDerWaalsContact O-CG 3.29Å; A105-M109 WeakPolarHBondContact O-CG 3.31Å; A105-M109 PolarHBondContact O-N 3.07Å; L106-M109 PolarHBondContact O-N 2.92Å; M109-N111 PolarHBondContact O-N 3.31Å; M109-L112 WeakPolarHBondContact O-CB 3.04Å; M109-L112 WeakPolarHBondContact O-CD1 3.44Å; M109-L112 VanDerWaalsContact O-CG 3.3Å; M109-L112 WeakPolarHBondContact O-CG 3.12Å; M109-L112 PolarHBondContact O-N 2.89Å; M109-L258 HydrophobicContact SD-CD1 3.84Å; M109-L258 HydrophobicContact SD-CD2 4.21Å; M109-L258 HydrophobicContact SD-CG 4.01Å; M109-P262 HydrophobicContact CE-CB 3.92Å; M109-P262 HydrophobicContact CE-CG 4.39Å; M109-P262 HydrophobicContact SD-CB 4.09Å; M109-L266 HydrophobicContact CB-CD1 3.78Å; M109-L266 HydrophobicContact CB-CD2 3.61Å; M109-L266 HydrophobicContact CB-CG 4.35Å; M109-L266 HydrophobicContact CG-CD1 4.2Å; M109-L266 HydrophobicContact SD-CD1 4.1Å; M109-L266 HydrophobicContact SD-CD2 4.38Å; M109-L284 HydrophobicContact CG-CD2 4.32Å; M109-L295 HydrophobicContact CB-CD2 4.5Å; M109-L295 HydrophobicContact CE-CD2 4.4Å; M109-L295 HydrophobicContact CG-CD2 3.55Å
110	L	98.1	Very high	97	Very high	1 Å²	1	18.1 Å²	18.1	1%	0.005	11%	0.109	C	C	.	.	H	α-helix	trans	-61.1	-31.8	176	-69.3	174.5	0	0	0	112.4	I95 L106 L112 H113 V116 I153 L179 L266 V269	I95-L110 HydrophobicContact CD1-CD1 4.39Å; L106-L110 HydrophobicContact CD1-CD1 3.91Å; L106-L110 HydrophobicContact CD1-CD2 4.46Å; L106-L110 HydrophobicContact CD1-CG 3.99Å; L106-L110 HydrophobicContact CG-CD1 3.96Å; L106-L110 HydrophobicContact CG-CG 4.41Å; L106-L110 WeakPolarHBondContact O-CB 3.37Å; L106-L110 VanDerWaalsContact O-CG 3.28Å; L106-L110 WeakPolarHBondContact O-CG 3.39Å; L106-L110 PolarHBondContact O-N 3.42Å; L110-L112 PolarHBondContact O-N 2.99Å; L110-L112 VanDerWaalsContact O-N 3.15Å; L110-H113 WeakPolarHBondContact O-CB 3.25Å; L110-H113 PolarHBondContact O-N 2.9Å; L110-V116 HydrophobicContact CB-CG1 4.39Å; L110-V116 WeakPolarHBondContact O-CB 3.39Å; L110-I153 HydrophobicContact CD1-CD1 4.11Å; L110-L179 HydrophobicContact CD1-CD1 4.01Å; L110-L266 HydrophobicContact CD2-CD2 4.08Å; L110-L266 HydrophobicContact CG-CD2 4.43Å; L110-V269 HydrophobicContact CD1-CG1 3.92Å; L110-V269 HydrophobicContact CD2-CB 3.95Å; L110-V269 HydrophobicContact CD2-CG1 3.47Å; L110-V269 VanDerWaalsContact CD2-CG1 3.47Å; L110-V269 HydrophobicContact CG-CG1 4.32Å
111	N	96.4	Very high	96.8	Very high	13 Å²	13	23 Å²	23	7%	0.07	13%	0.132	C	C	.	.	T	Hydrogen-bonded Turn	trans	-71.4	-1.9	177	-171.9	73.6	0	0	0	114.1	L107 E108 M109 H113 K118	L107-N111 WeakPolarHBondContact O-CB 3.29Å; L107-N111 PolarHBondContact O-N 2.75Å; E108-N111 PolarHBondContact O-N 3.27Å; M109-N111 PolarHBondContact O-N 3.31Å; N111-H113 VanDerWaalsContact C-N 3.27Å; N111-K118 HydrophobicContact CB-CB 4.39Å; N111-K118 HydrophobicContact CB-CD 3.7Å; N111-K118 HydrophobicContact CB-CG 4.09Å; N111-K118 PolarHBondContact OD1-N 2.95Å
112	L	96.3	Very high	96.8	Very high	7 Å²	7	26.5 Å²	26.5	4%	0.037	15%	0.149	C	C	.	.	T	Hydrogen-bonded Turn	trans	-69.1	-28.6	163.8	-66.9	165.3	0	0	0	111.6	R65 M109 L110 I279 N283 L284 L295 F297	R65-L112 PolarHBondContact NH2-O 3.04Å; M109-L112 WeakPolarHBondContact O-CB 3.04Å; M109-L112 WeakPolarHBondContact O-CD1 3.44Å; M109-L112 VanDerWaalsContact O-CG 3.3Å; M109-L112 WeakPolarHBondContact O-CG 3.12Å; M109-L112 PolarHBondContact O-N 2.89Å; L110-L112 PolarHBondContact O-N 2.99Å; L110-L112 VanDerWaalsContact O-N 3.15Å; L112-I279 HydrophobicContact CB-CG1 4.18Å; L112-I279 HydrophobicContact CD1-CG2 4.37Å; L112-N283 HydrophobicContact CD1-CB 3.68Å; L112-N283 HydrophobicContact CD2-CB 4.2Å; L112-N283 HydrophobicContact CG-CB 4.4Å; L112-L284 HydrophobicContact CD1-CD2 3.85Å; L112-L295 HydrophobicContact CD1-CD2 4.06Å; L112-L295 HydrophobicContact CD2-CB 4.37Å; L112-F297 HydrophobicContact CD2-CD1 3.78Å; L112-F297 HydrophobicContact CD2-CE1 3.75Å; L112-F297 HydrophobicContact CD2-CG 4.22Å; L112-F297 HydrophobicContact CD2-CZ 4.16Å
113	H	96.9	Very high	96.8	Very high	2 Å²	2	26.2 Å²	26.2	1%	0.009	14%	0.14	C	C	.	.	S	Bend	trans	-68.8	130.6	179.2	-169.8	-80.9	0	0	0	110.8	L110 N111 A115 V116 E270 P276 R278 I279	L110-H113 WeakPolarHBondContact O-CB 3.25Å; L110-H113 PolarHBondContact O-N 2.9Å; N111-H113 VanDerWaalsContact C-N 3.27Å; H113-A115 VanDerWaalsContact C-N 3.26Å; H113-A115 WeakPolarHBondContact CE1-CB 3.34Å; H113-A115 WeakPolarHBondContact ND1-CB 3.47Å; H113-A115 PolarHBondContact ND1-N 2.95Å; H113-A115 PolarHBondContact O-N 3.19Å; H113-V116 HydrophobicContact CB-CB 4.18Å; H113-V116 HydrophobicContact CB-CG2 3.79Å; H113-V116 PolarHBondContact O-N 3.45Å; H113-V116 VanDerWaalsContact O-N 3.09Å; H113-E270 IonicContact CD2-OE1 3.71Å; H113-E270 PolarHBondContact CD2-OE1 2.92Å; H113-P276 PolarHBondContact NE2-O 3.05Å; H113-R278 WeakPolarHBondContact NE2-CG 3.27Å; H113-I279 HydrophobicContact CB-CD1 4.21Å; H113-I279 HydrophobicContact CB-CG1 4.14Å
114	P	95.6	Very high	96.8	Very high	51 Å²	51	28.6 Å²	28.6	33%	0.331	15%	0.15	S	C	.	.	T	Hydrogen-bonded Turn	trans	-65	-26.8	-175.1	25.7	-34.8	0	0	0	113.9	Q150 R278	P114-Q150 PolarHBondContact O-NE2 3.44Å; P114-R278 HydrophobicContact CG-CB 4.39Å; P114-R278 HydrophobicContact CG-CG 4.26Å
115	A	96.9	Very high	96.8	Very high	18 Å²	18	25.3 Å²	25.3	15%	0.149	14%	0.138	C	C	.	.	T	Hydrogen-bonded Turn	trans	-86.8	-1.2	177.1	0	0	0	0	0	114.2	H113 Q150 I151 L275	H113-A115 VanDerWaalsContact C-N 3.26Å; H113-A115 WeakPolarHBondContact CE1-CB 3.34Å; H113-A115 WeakPolarHBondContact ND1-CB 3.47Å; H113-A115 PolarHBondContact ND1-N 2.95Å; H113-A115 PolarHBondContact O-N 3.19Å; A115-Q150 CarbonylContact O-C 3.53Å; A115-Q150 VanDerWaalsContact O-CA 3.26Å; A115-Q150 WeakPolarHBondContact O-CA 3.43Å; A115-Q150 WeakPolarHBondContact O-CB 3.22Å; A115-I151 PolarHBondContact O-N 2.8Å; A115-L275 HydrophobicContact CB-CD2 4.02Å
116	V	97.6	Very high	96.8	Very high	0 Å²	0	24.4 Å²	24.4	0%	0	13%	0.131	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.1	134.2	179.5	174.6	0	0	0	0	109.8	R72 L110 H113 I151 I153 L275	R72-V116 PolarHBondContact NH2-O 3.48Å; L110-V116 HydrophobicContact CB-CG1 4.39Å; L110-V116 WeakPolarHBondContact O-CB 3.39Å; H113-V116 HydrophobicContact CB-CB 4.18Å; H113-V116 HydrophobicContact CB-CG2 3.79Å; H113-V116 PolarHBondContact O-N 3.45Å; H113-V116 VanDerWaalsContact O-N 3.09Å; V116-I151 HydrophobicContact CG2-CD1 4.08Å; V116-I151 HydrophobicContact CG2-CG1 3.93Å; V116-I153 HydrophobicContact CG1-CD1 3.77Å; V116-I153 HydrophobicContact CG1-CG1 4.15Å; V116-I153 HydrophobicContact CG2-CD1 4.31Å; V116-L275 HydrophobicContact CG2-CD1 3.6Å
117	V	97.4	Very high	96.8	Very high	4 Å²	4	26 Å²	26	2%	0.024	14%	0.139	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.2	118.2	168.8	-167.3	0	0	0	0	108.3	P144 Q150 I151 T152 I153	V117-P144 HydrophobicContact CB-CG 4.27Å; V117-P144 HydrophobicContact CG1-CB 3.68Å; V117-P144 HydrophobicContact CG1-CG 3.43Å; V117-P144 VanDerWaalsContact CG1-CG 3.43Å; V117-Q150 HydrophobicContact CG2-CB 3.99Å; V117-Q150 VanDerWaalsContact CG2-CD 3.49Å; V117-Q150 HydrophobicContact CG2-CG 4.32Å; V117-Q150 VanDerWaalsContact CG2-OE1 3.29Å; V117-I151 PolarHBondContact N-O 3.16Å; V117-T152 CarbonylContact O-C 3.59Å; V117-T152 VanDerWaalsContact O-CA 3.28Å; V117-T152 WeakPolarHBondContact O-CA 3.13Å; V117-I153 PolarHBondContact O-N 2.7Å
118	K	96.6	Very high	96.8	Very high	34 Å²	34	28.7 Å²	28.7	15%	0.148	15%	0.154	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.8	143.2	-179.9	69.1	-179.1	178.9	86.1	0	112.5	L107 E108 N111 I153	L107-K118 HydrophobicContact CD1-CB 3.65Å; L107-K118 HydrophobicContact CD2-CB 4.11Å; L107-K118 HydrophobicContact CD2-CD 4.09Å; L107-K118 HydrophobicContact CG-CB 3.78Å; L107-K118 HydrophobicContact CG-CD 3.87Å; L107-K118 HydrophobicContact CG-CG 4.41Å; E108-K118 WeakPolarHBondContact OE1-CE 3.37Å; E108-K118 IonicContact OE1-NZ 2.87Å; E108-K118 PolarHBondContact OE1-NZ 3.3Å; E108-K118 IonicContact OE2-NZ 3.64Å; N111-K118 HydrophobicContact CB-CB 4.39Å; N111-K118 HydrophobicContact CB-CD 3.7Å; N111-K118 HydrophobicContact CB-CG 4.09Å; N111-K118 PolarHBondContact OD1-N 2.95Å; K118-I153 WeakPolarHBondContact CA-O 3.44Å
119	A	96.1	Very high	96.9	Very high	1 Å²	1	33 Å²	33	1%	0.008	18%	0.177	C	C	.	.			trans	-62.5	138	157.9	0	0	0	0	0	109.7	M143 I153 E154	A119-M143 HydrophobicContact CB-SD 4.48Å; A119-I153 PolarHBondContact N-O 3.22Å; A119-E154 HydrophobicContact CB-CB 4.31Å; A119-E154 HydrophobicContact CB-CG 4.07Å
120	S	87.9	Confident	96.9	Very high	74 Å²	74	40 Å²	40	52%	0.517	21%	0.209	S	C	.	.	S	Bend	trans	-74.8	-35.8	-173.3	57.3	0	0	0	0	112.6	R104	R104-S120 PolarHBondContact NH1-O 3.1Å; R104-S120 PolarHBondContact NH2-O 3.23Å
121	Q	92.8	Very high	96.9	Very high	136 Å²	136	41.2 Å²	41.2	64%	0.636	22%	0.216	S	C	*	.	S	Bend	trans	-117.6	165.3	-174.7	-57.7	-172.9	38.5	0	0	111.7	I123	Q121-I123 HydrophobicContact CB-CD1 4.43Å; Q121-I123 PolarHBondContact O-N 3.19Å
122	E	97.8	Very high	97	Very high	73 Å²	73	43.8 Å²	43.8	34%	0.341	23%	0.225	S	C	.	.			trans	-77.7	115.1	167.2	-43.7	-167.5	175.2	0	0	106.2	H124 K155 P157	E122-H124 VanDerWaalsContact C-N 3.34Å; E122-H124 PolarHBondContact O-CD2 3.04Å; E122-H124 IonicContact OE2-CE1 2.83Å; E122-H124 IonicContact OE2-NE2 2.72Å; E122-K155 VanDerWaalsContact CG-NZ 3.27Å; E122-K155 IonicContact OE1-NZ 3.63Å; E122-K155 PolarHBondContact OE1-NZ 2.86Å; E122-K155 IonicContact OE2-NZ 3.93Å; E122-P157 WeakPolarHBondContact OE2-CD 3.48Å
123	I	97.9	Very high	97.1	Very high	20 Å²	20	47.6 Å²	47.6	10%	0.103	26%	0.257	C	S	.	.			trans	-79.8	-25.1	-169.9	-52.9	-53.1	0	0	0	111.3	Q121 F125 N131 W138 Y139 K142 M143 E154 S156	Q121-I123 HydrophobicContact CB-CD1 4.43Å; Q121-I123 PolarHBondContact O-N 3.19Å; I123-F125 HydrophobicContact CG2-CB 4.23Å; I123-F125 PolarHBondContact O-N 2.64Å; I123-N131 PolarHBondContact O-ND2 2.74Å; I123-W138 HydrophobicContact CG2-CH2 4.16Å; I123-W138 HydrophobicContact CG2-CZ3 3.98Å; I123-Y139 HydrophobicContact CB-CD2 4.47Å; I123-Y139 HydrophobicContact CB-CE2 4.07Å; I123-Y139 HydrophobicContact CG1-CE2 4.4Å; I123-Y139 HydrophobicContact CG2-CD2 3.81Å; I123-Y139 HydrophobicContact CG2-CE2 3.93Å; I123-K142 HydrophobicContact CD1-CB 4.04Å; I123-K142 HydrophobicContact CG1-CB 4.41Å; I123-K142 HydrophobicContact CG2-CB 3.96Å; I123-K142 HydrophobicContact CG2-CG 4Å; I123-M143 HydrophobicContact CG1-CE 3.94Å; I123-E154 HydrophobicContact CB-CG 4.49Å; I123-E154 HydrophobicContact CG1-CG 3.84Å; I123-S156 PolarHBondContact N-OG 3.4Å
124	H	98.4	Very high	97.1	Very high	61 Å²	61	54.4 Å²	54.4	28%	0.282	28%	0.283	S	S	.	.			trans	49.7	47.8	-177.4	-67.2	-73.6	0	0	0	112.1	E122 D127 N128 N131 S156	E122-H124 VanDerWaalsContact C-N 3.34Å; E122-H124 PolarHBondContact O-CD2 3.04Å; E122-H124 IonicContact OE2-CE1 2.83Å; E122-H124 IonicContact OE2-NE2 2.72Å; H124-D127 WeakPolarHBondContact CA-OD1 3.27Å; H124-D127 VanDerWaalsContact CB-OD1 3.22Å; H124-D127 WeakPolarHBondContact CB-OD1 3.43Å; H124-D127 IonicContact CE1-OD2 3.12Å; H124-D127 IonicContact CG-OD1 2.64Å; H124-D127 IonicContact CG-OD2 3.41Å; H124-D127 IonicContact ND1-OD1 2.88Å; H124-D127 PolarHBondContact ND1-OD1 2.8Å; H124-D127 IonicContact ND1-OD2 3.6Å; H124-D127 PolarHBondContact ND1-OD2 2.82Å; H124-N128 VanDerWaalsContact O-CB 3.3Å; H124-N128 WeakPolarHBondContact O-CB 3.3Å; H124-N131 WeakPolarHBondContact O-CB 3.48Å; H124-N131 PolarHBondContact O-ND2 3.49Å; H124-S156 PolarHBondContact N-OG 3.34Å
125	F	98.8	Very high	97.3	Very high	3 Å²	3	53.4 Å²	53.4	1%	0.013	28%	0.282	C	S	.	.			trans	-80.3	-49	-177.5	176.8	-117.3	0	0	0	111	I123 N131 Y132 G135 I136 W138 Y139 Y159	I123-F125 HydrophobicContact CG2-CB 4.23Å; I123-F125 PolarHBondContact O-N 2.64Å; F125-N131 HydrophobicContact CD2-CB 4.45Å; F125-N131 WeakPolarHBondContact CD2-O 3.32Å; F125-N131 VanDerWaalsContact CE2-O 3.31Å; F125-N131 WeakPolarHBondContact CE2-O 3.42Å; F125-Y132 HydrophobicContact CD1-CD2 4.33Å; F125-Y132 AromaticContact CE1-CD2 3.84Å; F125-Y132 HydrophobicContact CE1-CD2 3.84Å; F125-Y132 HydrophobicContact CE1-CE2 4.08Å; F125-Y132 HydrophobicContact CE2-CD2 4.26Å; F125-Y132 AromaticContact CZ-CD2 3.81Å; F125-Y132 HydrophobicContact CZ-CD2 3.81Å; F125-Y132 HydrophobicContact CZ-CE2 4.23Å; F125-Y132 WeakPolarHBondContact O-CB 3.32Å; F125-Y132 PolarHBondContact O-N 2.85Å; F125-G135 VanDerWaalsContact CE2-O 3.3Å; F125-G135 WeakPolarHBondContact CE2-O 3.46Å; F125-G135 WeakPolarHBondContact CZ-O 3.42Å; F125-I136 HydrophobicContact CE1-CD1 4.12Å; F125-I136 HydrophobicContact CZ-CD1 4.5Å; F125-W138 HydrophobicContact CB-CZ3 4.39Å; F125-W138 AromaticContact CD2-CE3 3.66Å; F125-W138 HydrophobicContact CD2-CE3 3.66Å; F125-W138 AromaticContact CD2-CZ3 3.67Å; F125-W138 HydrophobicContact CD2-CZ3 3.67Å; F125-W138 HydrophobicContact CE2-CE3 4.03Å; F125-W138 HydrophobicContact CE2-CZ3 4.47Å; F125-W138 HydrophobicContact CG-CZ3 4.44Å; F125-Y139 HydrophobicContact CB-CD2 3.38Å; F125-Y139 HydrophobicContact CB-CE2 3.61Å; F125-Y139 HydrophobicContact CB-CG 4.07Å; F125-Y139 AromaticContact CD1-CD1 3.78Å; F125-Y139 HydrophobicContact CD1-CD1 3.78Å; F125-Y139 AromaticContact CD1-CD2 3.72Å; F125-Y139 HydrophobicContact CD1-CD2 3.72Å; F125-Y139 HydrophobicContact CD1-CE1 4.26Å; F125-Y139 HydrophobicContact CD1-CE2 4.2Å; F125-Y139 AromaticContact CD1-CG 3.48Å; F125-Y139 HydrophobicContact CD1-CG 3.48Å; F125-Y139 VanDerWaalsContact CD1-CG 3.48Å; F125-Y139 HydrophobicContact CD2-CD2 4.19Å; F125-Y139 HydrophobicContact CD2-CG 4.2Å; F125-Y139 HydrophobicContact CE1-CD1 4.07Å; F125-Y139 AromaticContact CE1-CG 3.91Å; F125-Y139 HydrophobicContact CE1-CG 3.91Å; F125-Y139 HydrophobicContact CG-CD1 4.39Å; F125-Y139 AromaticContact CG-CD2 3.5Å; F125-Y139 HydrophobicContact CG-CD2 3.5Å; F125-Y139 VanDerWaalsContact CG-CD2 3.5Å; F125-Y139 HydrophobicContact CG-CE2 4.12Å; F125-Y139 AromaticContact CG-CG 3.65Å; F125-Y139 HydrophobicContact CG-CG 3.65Å; F125-Y139 HydrophobicContact CZ-CG 4.42Å; F125-Y159 PolarHBondContact N-OH 2.99Å
126	F	98.8	Very high	97.3	Very high	0 Å²	0	55.4 Å²	55.4	0%	0	29%	0.289	C	S	.	.	T	Hydrogen-bonded Turn	trans	-82.9	-21.6	-173.3	-60	-70.7	0	0	0	113.9	I94 Y132 Y139 Y159 V165 R168 I169 M172	I94-F126 HydrophobicContact CD1-CE2 4.08Å; F126-Y132 HydrophobicContact CD1-CD2 4.13Å; F126-Y132 AromaticContact CD1-CE2 3.94Å; F126-Y132 HydrophobicContact CD1-CE2 3.94Å; F126-Y132 HydrophobicContact CE1-CE2 4.28Å; F126-Y139 AromaticContact CE2-CE1 3.87Å; F126-Y139 HydrophobicContact CE2-CE1 3.87Å; F126-Y139 AromaticContact CE2-CZ 3.84Å; F126-Y139 HydrophobicContact CZ-CD1 4.38Å; F126-Y139 AromaticContact CZ-CE1 3.95Å; F126-Y139 HydrophobicContact CZ-CE1 3.95Å; F126-Y159 HydrophobicContact CB-CD1 4.4Å; F126-Y159 HydrophobicContact CB-CE1 4Å; F126-Y159 HydrophobicContact CD2-CD2 4.36Å; F126-Y159 HydrophobicContact CD2-CE1 4.34Å; F126-Y159 AromaticContact CD2-CE2 3.62Å; F126-Y159 HydrophobicContact CD2-CE2 3.62Å; F126-Y159 AromaticContact CD2-CZ 3.62Å; F126-Y159 HydrophobicContact CE2-CE2 4.37Å; F126-V165 HydrophobicContact CB-CB 4.32Å; F126-V165 HydrophobicContact CB-CG1 3.81Å; F126-V165 HydrophobicContact CB-CG2 3.91Å; F126-V165 WeakPolarHBondContact O-CG2 3.34Å; F126-R168 HydrophobicContact CB-CB 4.43Å; F126-R168 HydrophobicContact CD1-CB 3.66Å; F126-R168 HydrophobicContact CE1-CB 4.41Å; F126-R168 HydrophobicContact CG-CB 4.46Å; F126-R168 VanDerWaalsContact O-CD 3.24Å; F126-R168 WeakPolarHBondContact O-CD 3.46Å; F126-R168 PolarHBondContact O-NH1 3.04Å; F126-I169 HydrophobicContact CB-CG1 4.31Å; F126-I169 HydrophobicContact CD1-CG1 3.89Å; F126-I169 HydrophobicContact CD2-CD1 3.86Å; F126-I169 HydrophobicContact CD2-CG1 3.45Å; F126-I169 VanDerWaalsContact CD2-CG1 3.45Å; F126-I169 HydrophobicContact CE1-CG1 3.98Å; F126-I169 HydrophobicContact CE2-CD1 4.18Å; F126-I169 HydrophobicContact CE2-CG1 3.6Å; F126-I169 HydrophobicContact CG-CD1 4.3Å; F126-I169 HydrophobicContact CG-CG1 3.61Å; F126-I169 HydrophobicContact CZ-CG1 3.84Å; F126-M172 HydrophobicContact CE1-CB 4.38Å; F126-M172 HydrophobicContact CE1-SD 4.49Å; F126-M172 HydrophobicContact CE2-CE 4.45Å; F126-M172 HydrophobicContact CZ-CB 4.37Å; F126-M172 HydrophobicContact CZ-CE 3.86Å; F126-M172 HydrophobicContact CZ-SD 3.67Å
127	D	98.5	Very high	97.3	Very high	32 Å²	32	60 Å²	60	17%	0.171	31%	0.314	C	S	.	.	T	Hydrogen-bonded Turn	trans	-103.6	4.7	-176.6	66.5	-25.9	0	0	0	114	H124 A158 Y159 T162 V165	H124-D127 WeakPolarHBondContact CA-OD1 3.27Å; H124-D127 VanDerWaalsContact CB-OD1 3.22Å; H124-D127 WeakPolarHBondContact CB-OD1 3.43Å; H124-D127 IonicContact CE1-OD2 3.12Å; H124-D127 IonicContact CG-OD1 2.64Å; H124-D127 IonicContact CG-OD2 3.41Å; H124-D127 IonicContact ND1-OD1 2.88Å; H124-D127 PolarHBondContact ND1-OD1 2.8Å; H124-D127 IonicContact ND1-OD2 3.6Å; H124-D127 PolarHBondContact ND1-OD2 2.82Å; D127-A158 WeakPolarHBondContact OD2-CB 3.47Å; D127-Y159 HydrophobicContact CB-CD1 3.9Å; D127-Y159 HydrophobicContact CB-CE1 4.12Å; D127-Y159 WeakPolarHBondContact OD1-CE1 3.44Å; D127-T162 HydrophobicContact CB-CG2 3.98Å; D127-V165 HydrophobicContact CB-CG2 3.85Å
128	N	98.4	Very high	97.4	Very high	60 Å²	60	61.6 Å²	61.6	32%	0.321	32%	0.319	S	S	.	.			trans	-129.5	115	175.3	-178.1	-51.8	0	0	0	109.3	H124 Q130 N131 Y132	H124-N128 VanDerWaalsContact O-CB 3.3Å; H124-N128 WeakPolarHBondContact O-CB 3.3Å; N128-Q130 VanDerWaalsContact C-N 3.26Å; N128-Q130 PolarHBondContact O-N 3.18Å; N128-Q130 WeakPolarHBondContact OD1-CA 3.35Å; N128-Q130 VanDerWaalsContact OD1-CB 3.3Å; N128-Q130 WeakPolarHBondContact OD1-CB 3.31Å; N128-Q130 PolarHBondContact OD1-N 3.01Å; N128-N131 HydrophobicContact CB-CB 4.2Å; N128-N131 PolarHBondContact O-N 2.75Å; N128-N131 VanDerWaalsContact O-N 3.08Å; N128-N131 PolarHBondContact OD1-N 2.63Å; N128-Y132 PolarHBondContact O-N 3.16Å
129	D	98.4	Very high	97.5	Very high	97 Å²	97	60 Å²	60	52%	0.519	31%	0.312	S	S	.	.	H	α-helix	trans	-61.5	-33	-175.3	-61.7	-32.6	0	0	0	113.4	Y132 A133 R168	D129-Y132 PolarHBondContact O-N 2.95Å; D129-A133 WeakPolarHBondContact O-CB 3.35Å; D129-A133 PolarHBondContact O-N 3.06Å; D129-R168 IonicContact OD1-CZ 2.64Å; D129-R168 VanDerWaalsContact OD1-CZ 3.29Å; D129-R168 IonicContact OD1-NH1 2.69Å; D129-R168 PolarHBondContact OD1-NH1 3.47Å; D129-R168 IonicContact OD1-NH2 3.29Å; D129-R168 PolarHBondContact OD1-NH2 3.21Å
130	Q	98.3	Very high	97.6	Very high	152 Å²	152	65 Å²	65	71%	0.71	33%	0.331	S	S	*	.	H	α-helix	trans	-67.9	-37.7	176.9	-59.4	180	-10.9	0	0	111.6	N128 R134	N128-Q130 VanDerWaalsContact C-N 3.26Å; N128-Q130 PolarHBondContact O-N 3.18Å; N128-Q130 WeakPolarHBondContact OD1-CA 3.35Å; N128-Q130 VanDerWaalsContact OD1-CB 3.3Å; N128-Q130 WeakPolarHBondContact OD1-CB 3.31Å; N128-Q130 PolarHBondContact OD1-N 3.01Å; Q130-R134 WeakPolarHBondContact O-CG 3.37Å
131	N	98.2	Very high	98	Very high	27 Å²	27	67.2 Å²	67.2	14%	0.144	33%	0.334	C	S	.	.	H	α-helix	trans	-73.9	-43.1	175.3	-70.5	-25.5	0	0	0	110.9	I123 H124 F125 N128 A133 R134 W138	I123-N131 PolarHBondContact O-ND2 2.74Å; H124-N131 WeakPolarHBondContact O-CB 3.48Å; H124-N131 PolarHBondContact O-ND2 3.49Å; F125-N131 HydrophobicContact CD2-CB 4.45Å; F125-N131 WeakPolarHBondContact CD2-O 3.32Å; F125-N131 VanDerWaalsContact CE2-O 3.31Å; F125-N131 WeakPolarHBondContact CE2-O 3.42Å; N128-N131 HydrophobicContact CB-CB 4.2Å; N128-N131 PolarHBondContact O-N 2.75Å; N128-N131 VanDerWaalsContact O-N 3.08Å; N128-N131 PolarHBondContact OD1-N 2.63Å; N131-A133 VanDerWaalsContact C-N 3.32Å; N131-A133 PolarHBondContact O-N 3.04Å; N131-R134 WeakPolarHBondContact O-CB 3.06Å; N131-R134 PolarHBondContact O-N 2.79Å; N131-R134 VanDerWaalsContact O-N 3.14Å; N131-W138 HydrophobicContact CB-CH2 3.82Å; N131-W138 HydrophobicContact CB-CZ3 3.8Å
132	Y	98.7	Very high	98.1	Very high	68 Å²	68	65.4 Å²	65.4	27%	0.267	32%	0.323	S	S	.	.	H	α-helix	trans	-61.1	-40.8	179.6	-168.3	-116.6	0	0	0	112.1	F125 F126 N128 D129 R134 G135 R168	F125-Y132 HydrophobicContact CD1-CD2 4.33Å; F125-Y132 AromaticContact CE1-CD2 3.84Å; F125-Y132 HydrophobicContact CE1-CD2 3.84Å; F125-Y132 HydrophobicContact CE1-CE2 4.08Å; F125-Y132 HydrophobicContact CE2-CD2 4.26Å; F125-Y132 AromaticContact CZ-CD2 3.81Å; F125-Y132 HydrophobicContact CZ-CD2 3.81Å; F125-Y132 HydrophobicContact CZ-CE2 4.23Å; F125-Y132 WeakPolarHBondContact O-CB 3.32Å; F125-Y132 PolarHBondContact O-N 2.85Å; F126-Y132 HydrophobicContact CD1-CD2 4.13Å; F126-Y132 AromaticContact CD1-CE2 3.94Å; F126-Y132 HydrophobicContact CD1-CE2 3.94Å; F126-Y132 HydrophobicContact CE1-CE2 4.28Å; N128-Y132 PolarHBondContact O-N 3.16Å; D129-Y132 PolarHBondContact O-N 2.95Å; Y132-R134 PolarHBondContact O-N 3.14Å; Y132-R134 VanDerWaalsContact O-N 3.15Å; Y132-G135 PolarHBondContact O-N 3.11Å; Y132-R168 HydrophobicContact CD1-CG 4.48Å; Y132-R168 HydrophobicContact CD2-CG 4.5Å; Y132-R168 HydrophobicContact CE1-CG 3.86Å; Y132-R168 HydrophobicContact CE2-CB 3.77Å; Y132-R168 HydrophobicContact CE2-CG 3.9Å
133	A	98.4	Very high	98.1	Very high	86 Å²	86	62 Å²	62	71%	0.711	31%	0.308	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.8	-18.3	177.7	0	0	0	0	0	114	D129 N131 G135	D129-A133 WeakPolarHBondContact O-CB 3.35Å; D129-A133 PolarHBondContact O-N 3.06Å; N131-A133 VanDerWaalsContact C-N 3.32Å; N131-A133 PolarHBondContact O-N 3.04Å; A133-G135 PolarHBondContact O-N 3.06Å
134	R	98.4	Very high	98	Very high	146 Å²	146	62.6 Å²	62.6	55%	0.551	31%	0.313	S	S	*	.	T	Hydrogen-bonded Turn	trans	-75.3	-6.7	174.8	-63.6	174.1	176.6	-172.8	-7.4	113.4	Q130 N131 Y132 W138	Q130-R134 WeakPolarHBondContact O-CG 3.37Å; N131-R134 WeakPolarHBondContact O-CB 3.06Å; N131-R134 PolarHBondContact O-N 2.79Å; N131-R134 VanDerWaalsContact O-N 3.14Å; Y132-R134 PolarHBondContact O-N 3.14Å; Y132-R134 VanDerWaalsContact O-N 3.15Å; R134-W138 HydrophobicContact CB-CB 3.62Å; R134-W138 HydrophobicContact CB-CD2 3.94Å; R134-W138 HydrophobicContact CB-CE3 4.47Å; R134-W138 HydrophobicContact CB-CG 3.54Å; R134-W138 HydrophobicContact CG-CG 4.33Å; R134-W138 WeakPolarHBondContact O-CB 3.5Å
135	G	98.3	Very high	97.8	Very high	29 Å²	29	63.7 Å²	63.7	30%	0.299	32%	0.317	S	S	.	.	H	α-helix	trans	81.7	172.8	174	0	0	0	0	0	114.2	F125 Y132 A133 D137 W138 Y139	F125-G135 VanDerWaalsContact CE2-O 3.3Å; F125-G135 WeakPolarHBondContact CE2-O 3.46Å; F125-G135 WeakPolarHBondContact CZ-O 3.42Å; Y132-G135 PolarHBondContact O-N 3.11Å; A133-G135 PolarHBondContact O-N 3.06Å; G135-D137 VanDerWaalsContact C-N 3.32Å; G135-D137 PolarHBondContact O-N 3.19Å; G135-W138 PolarHBondContact O-N 2.9Å; G135-Y139 PolarHBondContact O-N 2.81Å
136	I	98.2	Very high	97.5	Very high	61 Å²	61	63.6 Å²	63.6	31%	0.313	32%	0.317	S	S	.	.	H	α-helix	trans	-69.6	-29.1	-171.3	-166.9	61	0	0	0	113.2	L90 F125 Y139 R140 M172	L90-I136 HydrophobicContact CD1-CD1 4.03Å; L90-I136 HydrophobicContact CD1-CG1 3.79Å; L90-I136 HydrophobicContact CD2-CD1 3.78Å; L90-I136 HydrophobicContact CD2-CG1 4.02Å; F125-I136 HydrophobicContact CE1-CD1 4.12Å; F125-I136 HydrophobicContact CZ-CD1 4.5Å; I136-Y139 HydrophobicContact CD1-CD1 3.9Å; I136-Y139 WeakPolarHBondContact O-CB 3.46Å; I136-Y139 PolarHBondContact O-N 3Å; I136-R140 PolarHBondContact O-N 3.36Å; I136-M172 HydrophobicContact CD1-CB 4.37Å; I136-M172 HydrophobicContact CD1-CG 3.59Å; I136-M172 HydrophobicContact CD1-SD 3.59Å; I136-M172 VanDerWaalsContact CD1-SD 3.59Å; I136-M172 HydrophobicContact CG1-CG 4.43Å
137	D	98.1	Very high	97.2	Very high	97 Å²	97	65.3 Å²	65.3	52%	0.519	32%	0.324	S	S	.	.	H	α-helix	trans	-68.6	-39.3	178.6	-65.4	-39.7	0	0	0	111.2	G135 Y139 R140 E141	G135-D137 VanDerWaalsContact C-N 3.32Å; G135-D137 PolarHBondContact O-N 3.19Å; D137-Y139 VanDerWaalsContact C-N 3.27Å; D137-Y139 PolarHBondContact O-N 2.91Å; D137-R140 WeakPolarHBondContact O-CB 3.44Å; D137-R140 PolarHBondContact O-N 3.48Å; D137-R140 VanDerWaalsContact O-N 3.14Å; D137-R140 IonicContact OD1-NE 2.65Å; D137-E141 WeakPolarHBondContact O-CG 3.25Å; D137-E141 PolarHBondContact O-N 3.33Å
138	W	98.1	Very high	96.8	Very high	36 Å²	36	67.3 Å²	67.3	14%	0.136	34%	0.339	C	S	.	.	H	α-helix	trans	-57.9	-41.5	170.3	179.8	88	0	0	0	111.8	I123 F125 N131 R134 G135 E141 K142	I123-W138 HydrophobicContact CG2-CH2 4.16Å; I123-W138 HydrophobicContact CG2-CZ3 3.98Å; F125-W138 HydrophobicContact CB-CZ3 4.39Å; F125-W138 AromaticContact CD2-CE3 3.66Å; F125-W138 HydrophobicContact CD2-CE3 3.66Å; F125-W138 AromaticContact CD2-CZ3 3.67Å; F125-W138 HydrophobicContact CD2-CZ3 3.67Å; F125-W138 HydrophobicContact CE2-CE3 4.03Å; F125-W138 HydrophobicContact CE2-CZ3 4.47Å; F125-W138 HydrophobicContact CG-CZ3 4.44Å; N131-W138 HydrophobicContact CB-CH2 3.82Å; N131-W138 HydrophobicContact CB-CZ3 3.8Å; R134-W138 HydrophobicContact CB-CB 3.62Å; R134-W138 HydrophobicContact CB-CD2 3.94Å; R134-W138 HydrophobicContact CB-CE3 4.47Å; R134-W138 HydrophobicContact CB-CG 3.54Å; R134-W138 HydrophobicContact CG-CG 4.33Å; R134-W138 WeakPolarHBondContact O-CB 3.5Å; G135-W138 PolarHBondContact O-N 2.9Å; W138-E141 PolarHBondContact O-N 3.42Å; W138-K142 HydrophobicContact CD2-CG 4.46Å; W138-K142 HydrophobicContact CE3-CG 4.42Å; W138-K142 HydrophobicContact CH2-CG 4.15Å; W138-K142 HydrophobicContact CZ2-CD 4.36Å; W138-K142 HydrophobicContact CZ2-CG 4.2Å; W138-K142 HydrophobicContact CZ3-CG 4.24Å; W138-K142 WeakPolarHBondContact O-CG 3.19Å; W138-K142 PolarHBondContact O-N 2.92Å
139	Y	98.5	Very high	96.5	Very high	0 Å²	0	70.8 Å²	70.8	0%	0	35%	0.353	C	S	.	.	H	α-helix	trans	-64.7	-42.4	176.2	-176.8	-129.4	0	0	0	112	L90 P91 I123 F125 F126 G135 I136 D137 E141 K142 M143 E154 M172	L90-Y139 HydrophobicContact CD2-CD1 3.67Å; L90-Y139 HydrophobicContact CD2-CE1 4.29Å; P91-Y139 HydrophobicContact CG-CE1 3.76Å; P91-Y139 WeakPolarHBondContact CG-OH 3.41Å; I123-Y139 HydrophobicContact CB-CD2 4.47Å; I123-Y139 HydrophobicContact CB-CE2 4.07Å; I123-Y139 HydrophobicContact CG1-CE2 4.4Å; I123-Y139 HydrophobicContact CG2-CD2 3.81Å; I123-Y139 HydrophobicContact CG2-CE2 3.93Å; F125-Y139 HydrophobicContact CB-CD2 3.38Å; F125-Y139 HydrophobicContact CB-CE2 3.61Å; F125-Y139 HydrophobicContact CB-CG 4.07Å; F125-Y139 AromaticContact CD1-CD1 3.78Å; F125-Y139 HydrophobicContact CD1-CD1 3.78Å; F125-Y139 AromaticContact CD1-CD2 3.72Å; F125-Y139 HydrophobicContact CD1-CD2 3.72Å; F125-Y139 HydrophobicContact CD1-CE1 4.26Å; F125-Y139 HydrophobicContact CD1-CE2 4.2Å; F125-Y139 AromaticContact CD1-CG 3.48Å; F125-Y139 HydrophobicContact CD1-CG 3.48Å; F125-Y139 VanDerWaalsContact CD1-CG 3.48Å; F125-Y139 HydrophobicContact CD2-CD2 4.19Å; F125-Y139 HydrophobicContact CD2-CG 4.2Å; F125-Y139 HydrophobicContact CE1-CD1 4.07Å; F125-Y139 AromaticContact CE1-CG 3.91Å; F125-Y139 HydrophobicContact CE1-CG 3.91Å; F125-Y139 HydrophobicContact CG-CD1 4.39Å; F125-Y139 AromaticContact CG-CD2 3.5Å; F125-Y139 HydrophobicContact CG-CD2 3.5Å; F125-Y139 VanDerWaalsContact CG-CD2 3.5Å; F125-Y139 HydrophobicContact CG-CE2 4.12Å; F125-Y139 AromaticContact CG-CG 3.65Å; F125-Y139 HydrophobicContact CG-CG 3.65Å; F125-Y139 HydrophobicContact CZ-CG 4.42Å; F126-Y139 AromaticContact CE2-CE1 3.87Å; F126-Y139 HydrophobicContact CE2-CE1 3.87Å; F126-Y139 AromaticContact CE2-CZ 3.84Å; F126-Y139 HydrophobicContact CZ-CD1 4.38Å; F126-Y139 AromaticContact CZ-CE1 3.95Å; F126-Y139 HydrophobicContact CZ-CE1 3.95Å; G135-Y139 PolarHBondContact O-N 2.81Å; I136-Y139 HydrophobicContact CD1-CD1 3.9Å; I136-Y139 WeakPolarHBondContact O-CB 3.46Å; I136-Y139 PolarHBondContact O-N 3Å; D137-Y139 VanDerWaalsContact C-N 3.27Å; D137-Y139 PolarHBondContact O-N 2.91Å; Y139-E141 VanDerWaalsContact C-N 3.35Å; Y139-E141 PolarHBondContact O-N 3.04Å; Y139-K142 WeakPolarHBondContact O-CB 3.5Å; Y139-K142 PolarHBondContact O-N 3.15Å; Y139-K142 VanDerWaalsContact O-N 3.12Å; Y139-M143 HydrophobicContact CD2-CE 3.81Å; Y139-M143 HydrophobicContact CE1-CE 4.45Å; Y139-M143 HydrophobicContact CE2-CE 3.47Å; Y139-M143 VanDerWaalsContact CE2-CE 3.47Å; Y139-M143 HydrophobicContact CG-CE 4.45Å; Y139-M143 WeakPolarHBondContact O-CE 3.24Å; Y139-E154 HydrophobicContact CE2-CG 4.46Å; Y139-E154 PolarHBondContact OH-OE2 3.28Å; Y139-M172 HydrophobicContact CD1-SD 4.08Å; Y139-M172 HydrophobicContact CE1-SD 3.87Å
140	R	97.8	Very high	96.4	Very high	106 Å²	106	66.3 Å²	66.3	40%	0.4	33%	0.329	S	S	.	.	H	α-helix	trans	-59.3	-44.1	175	-172.3	-166.8	-60.7	-119.9	2.1	111.5	Q88 L90 I136 D137 K142 M143	Q88-R140 HydrophobicContact CB-CG 4.28Å; Q88-R140 WeakPolarHBondContact O-CD 3.35Å; Q88-R140 VanDerWaalsContact O-CG 3.3Å; Q88-R140 WeakPolarHBondContact O-CG 3.37Å; L90-R140 HydrophobicContact CD2-CB 3.85Å; L90-R140 HydrophobicContact CD2-CG 4.41Å; L90-R140 HydrophobicContact CG-CB 4.41Å; I136-R140 PolarHBondContact O-N 3.36Å; D137-R140 WeakPolarHBondContact O-CB 3.44Å; D137-R140 PolarHBondContact O-N 3.48Å; D137-R140 VanDerWaalsContact O-N 3.14Å; D137-R140 IonicContact OD1-NE 2.65Å; R140-K142 PolarHBondContact O-N 3.47Å; R140-M143 VanDerWaalsContact O-CB 3.24Å; R140-M143 WeakPolarHBondContact O-CB 3.22Å; R140-M143 PolarHBondContact O-N 2.87Å
141	E	96.3	Very high	96.3	Very high	122 Å²	122	59.9 Å²	59.9	57%	0.57	30%	0.299	S	S	*	.	H	α-helix	trans	-63.5	-19.2	177.3	-72.7	174.4	-176.1	0	0	113.6	Q88 D137 W138 Y139 M143	Q88-E141 VanDerWaalsContact NE2-C 3.31Å; Q88-E141 PolarHBondContact NE2-O 3.11Å; D137-E141 WeakPolarHBondContact O-CG 3.25Å; D137-E141 PolarHBondContact O-N 3.33Å; W138-E141 PolarHBondContact O-N 3.42Å; Y139-E141 VanDerWaalsContact C-N 3.35Å; Y139-E141 PolarHBondContact O-N 3.04Å; E141-M143 VanDerWaalsContact C-N 3.35Å
142	K	96.9	Very high	96.3	Very high	97 Å²	97	58.6 Å²	58.6	42%	0.422	29%	0.292	S	S	.	.	T	Hydrogen-bonded Turn	trans	-82.8	-11.6	171.4	-60.4	-49.4	179	-168.9	0	113.6	I123 W138 Y139 R140	I123-K142 HydrophobicContact CD1-CB 4.04Å; I123-K142 HydrophobicContact CG1-CB 4.41Å; I123-K142 HydrophobicContact CG2-CB 3.96Å; I123-K142 HydrophobicContact CG2-CG 4Å; W138-K142 HydrophobicContact CD2-CG 4.46Å; W138-K142 HydrophobicContact CE3-CG 4.42Å; W138-K142 HydrophobicContact CH2-CG 4.15Å; W138-K142 HydrophobicContact CZ2-CD 4.36Å; W138-K142 HydrophobicContact CZ2-CG 4.2Å; W138-K142 HydrophobicContact CZ3-CG 4.24Å; W138-K142 WeakPolarHBondContact O-CG 3.19Å; W138-K142 PolarHBondContact O-N 2.92Å; Y139-K142 WeakPolarHBondContact O-CB 3.5Å; Y139-K142 PolarHBondContact O-N 3.15Å; Y139-K142 VanDerWaalsContact O-N 3.12Å; R140-K142 PolarHBondContact O-N 3.47Å
143	M	97.4	Very high	96.3	Very high	3 Å²	3	55.4 Å²	55.4	2%	0.015	28%	0.28	C	S	.	.	S	Bend	trans	-76.8	148.5	179.1	-62.4	-59.1	114.7	0	0	111.1	Q88 Q89 P91 A119 I123 Y139 R140 E141 T152 E154	Q88-M143 WeakPolarHBondContact CG-O 2.97Å; Q88-M143 PolarHBondContact NE2-O 3.38Å; Q89-M143 VanDerWaalsContact O-CB 3.3Å; Q89-M143 WeakPolarHBondContact O-CB 3.44Å; Q89-M143 VanDerWaalsContact O-CG 3.26Å; Q89-M143 WeakPolarHBondContact O-CG 3.03Å; P91-M143 HydrophobicContact CG-SD 4.4Å; A119-M143 HydrophobicContact CB-SD 4.48Å; I123-M143 HydrophobicContact CG1-CE 3.94Å; Y139-M143 HydrophobicContact CD2-CE 3.81Å; Y139-M143 HydrophobicContact CE1-CE 4.45Å; Y139-M143 HydrophobicContact CE2-CE 3.47Å; Y139-M143 VanDerWaalsContact CE2-CE 3.47Å; Y139-M143 HydrophobicContact CG-CE 4.45Å; Y139-M143 WeakPolarHBondContact O-CE 3.24Å; R140-M143 VanDerWaalsContact O-CB 3.24Å; R140-M143 WeakPolarHBondContact O-CB 3.22Å; R140-M143 PolarHBondContact O-N 2.87Å; E141-M143 VanDerWaalsContact C-N 3.35Å; M143-T152 HydrophobicContact CB-CG2 4.2Å; M143-T152 HydrophobicContact CG-CG2 4.21Å; M143-T152 HydrophobicContact SD-CG2 3.65Å; M143-E154 HydrophobicContact CE-CG 4.24Å
144	P	95.2	Very high	96.3	Very high	32 Å²	32	51.3 Å²	51.3	21%	0.208	25%	0.246	C	C	.	.	P	Polyproline II helix	trans	-66.4	152.9	174.3	31	-37.1	0	0	0	110.9	V117 T152	V117-P144 HydrophobicContact CB-CG 4.27Å; V117-P144 HydrophobicContact CG1-CB 3.68Å; V117-P144 HydrophobicContact CG1-CG 3.43Å; V117-P144 VanDerWaalsContact CG1-CG 3.43Å; P144-T152 HydrophobicContact CG-CG2 4.27Å
145	F	93.4	Very high	96.3	Very high	84 Å²	84	44.4 Å²	44.4	37%	0.368	22%	0.22	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-62.5	135.6	164.3	-78	-78.4	0	0	0	110.2	I81 L86 Q88	I81-F145 HydrophobicContact CD1-CD1 4.46Å; I81-F145 HydrophobicContact CD1-CD2 4.18Å; I81-F145 HydrophobicContact CD1-CE1 4.07Å; I81-F145 HydrophobicContact CD1-CE2 3.78Å; I81-F145 HydrophobicContact CD1-CZ 3.73Å; I81-F145 HydrophobicContact CG1-CD1 4.43Å; I81-F145 HydrophobicContact CG1-CE1 4.41Å; I81-F145 HydrophobicContact CG2-CD1 4.09Å; I81-F145 HydrophobicContact CG2-CE1 3.77Å; I81-F145 HydrophobicContact CG2-CZ 4.41Å; L86-F145 HydrophobicContact CB-CB 4.13Å; L86-F145 HydrophobicContact CB-CD1 4Å; L86-F145 HydrophobicContact CB-CG 4.44Å; L86-F145 HydrophobicContact CD1-CB 4.47Å; Q88-F145 HydrophobicContact CG-CD1 3.93Å; Q88-F145 HydrophobicContact CG-CD2 4.27Å; Q88-F145 HydrophobicContact CG-CE1 3.8Å; Q88-F145 HydrophobicContact CG-CE2 4.14Å; Q88-F145 HydrophobicContact CG-CG 4.16Å; Q88-F145 HydrophobicContact CG-CZ 3.89Å
146	S	92.9	Very high	96.4	Very high	1 Å²	1	43 Å²	43	1%	0.007	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-146.4	157.3	-176.4	58	0	0	0	0	110.4	V87 Q89	V87-S146 PolarHBondContact N-O 3.38Å; V87-S146 PolarHBondContact O-N 3.08Å; V87-S146 PolarHBondContact O-OG 3.25Å; Q89-S146 PolarHBondContact NE2-OG 3.35Å
147	F	92.5	Very high	96.4	Very high	35 Å²	35	40.5 Å²	40.5	15%	0.154	19%	0.194	C	C	.	.			trans	-73.9	151.1	168.4	-65.9	-78.5	0	0	0	110.5	L68 H84 L86 Q89 H149 Q150	L68-F147 HydrophobicContact CD1-CE2 4.01Å; L68-F147 HydrophobicContact CD2-CE2 4.31Å; L68-F147 HydrophobicContact CG-CE2 4.23Å; H84-F147 HydrophobicContact CB-CE1 3.89Å; H84-F147 HydrophobicContact CB-CZ 4.28Å; H84-F147 WeakPolarHBondContact O-CE1 3.4Å; L86-F147 HydrophobicContact CD2-CD1 3.75Å; L86-F147 HydrophobicContact CD2-CD2 4.07Å; L86-F147 HydrophobicContact CD2-CE1 3.73Å; L86-F147 HydrophobicContact CD2-CE2 4.02Å; L86-F147 HydrophobicContact CD2-CG 3.93Å; L86-F147 HydrophobicContact CD2-CZ 3.85Å; Q89-F147 PolarHBondContact NE2-O 3.23Å; F147-H149 WeakPolarHBondContact CB-CE1 3.35Å; F147-H149 AromaticContact CG-CE1 3.77Å; F147-H149 PolarHBondContact O-N 3.37Å; F147-Q150 HydrophobicContact CB-CG 4.12Å; F147-Q150 WeakPolarHBondContact O-CB 3.43Å; F147-Q150 PolarHBondContact O-N 3.43Å
148	P	91.1	Very high	96.4	Very high	74 Å²	74	37.2 Å²	37.2	48%	0.481	18%	0.179	S	C	.	.	T	Hydrogen-bonded Turn	trans	-55	-29.4	-178.7	-29.4	35.8	0	0	0	115.6	R92	R92-P148 PolarHBondContact NH2-O 2.83Å; R92-P148 VanDerWaalsContact NH2-O 3.17Å
149	H	91.1	Very high	96.4	Very high	134 Å²	134	35.5 Å²	35.5	62%	0.62	17%	0.173	S	C	*	.	T	Hydrogen-bonded Turn	trans	-83.5	-10.4	178.9	65.3	-93.7	0	0	0	113.9	F147	F147-H149 WeakPolarHBondContact CB-CE1 3.35Å; F147-H149 AromaticContact CG-CE1 3.77Å; F147-H149 PolarHBondContact O-N 3.37Å
150	Q	95.8	Very high	96.5	Very high	2 Å²	2	35.5 Å²	35.5	1%	0.009	17%	0.173	C	C	.	.	S	Bend	trans	-85.2	156.9	177	-65.5	-178.2	-56.1	0	0	110.8	P114 A115 V117 F147	P114-Q150 PolarHBondContact O-NE2 3.44Å; A115-Q150 CarbonylContact O-C 3.53Å; A115-Q150 VanDerWaalsContact O-CA 3.26Å; A115-Q150 WeakPolarHBondContact O-CA 3.43Å; A115-Q150 WeakPolarHBondContact O-CB 3.22Å; V117-Q150 HydrophobicContact CG2-CB 3.99Å; V117-Q150 VanDerWaalsContact CG2-CD 3.49Å; V117-Q150 HydrophobicContact CG2-CG 4.32Å; V117-Q150 VanDerWaalsContact CG2-OE1 3.29Å; F147-Q150 HydrophobicContact CB-CG 4.12Å; F147-Q150 WeakPolarHBondContact O-CB 3.43Å; F147-Q150 PolarHBondContact O-N 3.43Å
151	I	97.7	Very high	96.5	Very high	17 Å²	17	33.5 Å²	33.5	9%	0.087	17%	0.17	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.7	130.8	173	72.6	171.9	0	0	0	110	A115 V116 V117 I153 L273 L275	A115-I151 PolarHBondContact O-N 2.8Å; V116-I151 HydrophobicContact CG2-CD1 4.08Å; V116-I151 HydrophobicContact CG2-CG1 3.93Å; V117-I151 PolarHBondContact N-O 3.16Å; I151-I153 HydrophobicContact CD1-CD1 4.01Å; I151-I153 HydrophobicContact CD1-CG1 4.22Å; I151-I153 HydrophobicContact CG1-CD1 4.43Å; I151-I153 HydrophobicContact CG1-CG1 4.27Å; I151-L273 HydrophobicContact CD1-CB 4.2Å; I151-L273 HydrophobicContact CD1-CD1 3.87Å; I151-L273 HydrophobicContact CD1-CG 4.46Å; I151-L275 HydrophobicContact CD1-CD1 3.8Å; I151-L275 HydrophobicContact CD1-CD2 4.19Å; I151-L275 HydrophobicContact CD1-CG 4.23Å
152	T	98.3	Very high	96.6	Very high	1 Å²	1	29 Å²	29	1%	0.006	15%	0.151	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.1	131.6	169.1	-62.4	0	0	0	0	109.5	P91 R92 V117 M143 P144	P91-T152 VanDerWaalsContact CA-O 3.29Å; P91-T152 WeakPolarHBondContact CA-O 3.2Å; P91-T152 HydrophobicContact CB-CG2 4.36Å; R92-T152 PolarHBondContact N-O 3.01Å; R92-T152 VanDerWaalsContact N-O 3.08Å; V117-T152 CarbonylContact O-C 3.59Å; V117-T152 VanDerWaalsContact O-CA 3.28Å; V117-T152 WeakPolarHBondContact O-CA 3.13Å; M143-T152 HydrophobicContact CB-CG2 4.2Å; M143-T152 HydrophobicContact CG-CG2 4.21Å; M143-T152 HydrophobicContact SD-CG2 3.65Å; P144-T152 HydrophobicContact CG-CG2 4.27Å
153	I	98.7	Very high	96.7	Very high	0 Å²	0	31.6 Å²	31.6	0%	0	16%	0.164	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.1	128.2	174.6	-54.4	-175.8	0	0	0	110.3	A93 I95 L107 L110 V116 V117 K118 A119 I151 L273	A93-I153 HydrophobicContact CB-CG1 4.36Å; A93-I153 WeakPolarHBondContact O-CA 3.44Å; I95-I153 HydrophobicContact CD1-CG2 4.19Å; I95-I153 HydrophobicContact CG1-CG2 4.09Å; L107-I153 HydrophobicContact CD1-CB 4.17Å; L107-I153 HydrophobicContact CD1-CG2 3.74Å; L110-I153 HydrophobicContact CD1-CD1 4.11Å; V116-I153 HydrophobicContact CG1-CD1 3.77Å; V116-I153 HydrophobicContact CG1-CG1 4.15Å; V116-I153 HydrophobicContact CG2-CD1 4.31Å; V117-I153 PolarHBondContact O-N 2.7Å; K118-I153 WeakPolarHBondContact CA-O 3.44Å; A119-I153 PolarHBondContact N-O 3.22Å; I151-I153 HydrophobicContact CD1-CD1 4.01Å; I151-I153 HydrophobicContact CD1-CG1 4.22Å; I151-I153 HydrophobicContact CG1-CD1 4.43Å; I151-I153 HydrophobicContact CG1-CG1 4.27Å; I153-L273 HydrophobicContact CD1-CD1 3.86Å
154	E	98.4	Very high	96.7	Very high	0 Å²	0	34.7 Å²	34.7	0%	0	18%	0.179	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.5	158.7	173.7	-165.6	-95.6	118.4	0	0	110.8	P91 A93 I94 I95 A119 I123 Y139 M143 S156 Y159	P91-E154 HydrophobicContact CB-CB 4.22Å; P91-E154 HydrophobicContact CG-CB 4.32Å; A93-E154 PolarHBondContact O-N 2.95Å; I94-E154 WeakPolarHBondContact CA-O 3.37Å; I95-E154 PolarHBondContact N-O 3.33Å; A119-E154 HydrophobicContact CB-CB 4.31Å; A119-E154 HydrophobicContact CB-CG 4.07Å; I123-E154 HydrophobicContact CB-CG 4.49Å; I123-E154 HydrophobicContact CG1-CG 3.84Å; Y139-E154 HydrophobicContact CE2-CG 4.46Å; Y139-E154 PolarHBondContact OH-OE2 3.28Å; M143-E154 HydrophobicContact CE-CG 4.24Å; E154-S156 WeakPolarHBondContact OE1-CB 3.48Å; E154-S156 PolarHBondContact OE1-N 3.19Å; E154-S156 VanDerWaalsContact OE1-N 3.12Å; E154-S156 PolarHBondContact OE1-OG 2.82Å; E154-Y159 WeakPolarHBondContact OE2-CE2 3.45Å; E154-Y159 PolarHBondContact OE2-OH 2.95Å; E154-Y159 VanDerWaalsContact OE2-OH 3.12Å
155	K	98.7	Very high	96.9	Very high	1 Å²	1	33.2 Å²	33.2	0%	0.004	17%	0.169	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-146.5	106.3	-176.8	179.7	-146.3	67.8	54	0	111.4	I95 T103 L107 E122	I95-K155 HydrophobicContact CB-CB 3.94Å; I95-K155 HydrophobicContact CB-CG 3.78Å; I95-K155 HydrophobicContact CD1-CB 4.33Å; I95-K155 HydrophobicContact CD1-CG 4.32Å; I95-K155 HydrophobicContact CG2-CG 3.86Å; I95-K155 WeakPolarHBondContact O-CA 3.3Å; T103-K155 WeakPolarHBondContact O-CD 3.47Å; L107-K155 HydrophobicContact CB-CD 4.09Å; L107-K155 HydrophobicContact CD1-CB 4.31Å; L107-K155 HydrophobicContact CD2-CB 3.9Å; L107-K155 HydrophobicContact CD2-CD 4.1Å; L107-K155 HydrophobicContact CG-CB 4.48Å; E122-K155 VanDerWaalsContact CG-NZ 3.27Å; E122-K155 IonicContact OE1-NZ 3.63Å; E122-K155 PolarHBondContact OE1-NZ 2.86Å; E122-K155 IonicContact OE2-NZ 3.93Å
156	S	98.7	Very high	97.2	Very high	0 Å²	0	29.2 Å²	29.2	0%	0	15%	0.152	C	C	.	.			trans	-130.4	96.6	173.6	-70.1	0	0	0	0	109.5	I95 I123 H124 E154 A158 Y159	I95-S156 PolarHBondContact O-N 3.14Å; I123-S156 PolarHBondContact N-OG 3.4Å; H124-S156 PolarHBondContact N-OG 3.34Å; E154-S156 WeakPolarHBondContact OE1-CB 3.48Å; E154-S156 PolarHBondContact OE1-N 3.19Å; E154-S156 VanDerWaalsContact OE1-N 3.12Å; E154-S156 PolarHBondContact OE1-OG 2.82Å; S156-A158 PolarHBondContact O-N 2.93Å; S156-A158 VanDerWaalsContact O-N 3.07Å; S156-Y159 VanDerWaalsContact CB-CE1 3.42Å; S156-Y159 VanDerWaalsContact O-CB 3.26Å; S156-Y159 WeakPolarHBondContact O-CB 3.38Å; S156-Y159 VanDerWaalsContact O-CG 3.27Å; S156-Y159 PolarHBondContact O-N 3.12Å
157	P	98.6	Very high	97.5	Very high	9 Å²	9	32.6 Å²	32.6	6%	0.058	17%	0.167	C	C	.	.	T	Hydrogen-bonded Turn	trans	-66.6	-14	-169.6	-21.5	34.7	0	0	0	115.2	I96 R99 T103 E122 Y159	I96-P157 CarbonylContact O-C 3.6Å; I96-P157 WeakPolarHBondContact O-CA 3.49Å; R99-P157 HydrophobicContact CB-CB 4.19Å; T103-P157 HydrophobicContact CG2-CB 4.13Å; T103-P157 HydrophobicContact CG2-CG 3.96Å; T103-P157 VanDerWaalsContact OG1-CG 3.31Å; T103-P157 WeakPolarHBondContact OG1-CG 3.23Å; E122-P157 WeakPolarHBondContact OE2-CD 3.48Å; P157-Y159 VanDerWaalsContact C-N 3.3Å
158	A	98.6	Very high	97.8	Very high	27 Å²	27	32.7 Å²	32.7	22%	0.223	17%	0.167	C	C	.	.	T	Hydrogen-bonded Turn	trans	-71.9	-27.2	175.3	0	0	0	0	0	111.9	D127 S156 F160 I161 T162	D127-A158 WeakPolarHBondContact OD2-CB 3.47Å; S156-A158 PolarHBondContact O-N 2.93Å; S156-A158 VanDerWaalsContact O-N 3.07Å; A158-F160 PolarHBondContact O-N 3.24Å; A158-F160 VanDerWaalsContact O-N 3.14Å; A158-I161 VanDerWaalsContact O-CG1 3.24Å; A158-I161 WeakPolarHBondContact O-CG1 3.39Å; A158-I161 PolarHBondContact O-N 3.44Å; A158-T162 PolarHBondContact O-N 3.27Å; A158-T162 PolarHBondContact O-OG1 3.41Å; A158-T162 VanDerWaalsContact O-OG1 3.11Å
159	Y	98.9	Very high	98.1	Very high	0 Å²	0	29.2 Å²	29.2	0%	0	14%	0.144	C	C	.	.	T	Hydrogen-bonded Turn	trans	-49.3	-45.5	179.3	-72.4	-1.5	0	0	0	112	I94 I96 F125 F126 D127 E154 S156 P157 I161 T162 V165 I169 W241	I94-Y159 HydrophobicContact CG2-CD2 3.98Å; I94-Y159 HydrophobicContact CG2-CE2 4.03Å; I96-Y159 HydrophobicContact CG2-CD2 4.28Å; F125-Y159 PolarHBondContact N-OH 2.99Å; F126-Y159 HydrophobicContact CB-CD1 4.4Å; F126-Y159 HydrophobicContact CB-CE1 4Å; F126-Y159 HydrophobicContact CD2-CD2 4.36Å; F126-Y159 HydrophobicContact CD2-CE1 4.34Å; F126-Y159 AromaticContact CD2-CE2 3.62Å; F126-Y159 HydrophobicContact CD2-CE2 3.62Å; F126-Y159 AromaticContact CD2-CZ 3.62Å; F126-Y159 HydrophobicContact CE2-CE2 4.37Å; D127-Y159 HydrophobicContact CB-CD1 3.9Å; D127-Y159 HydrophobicContact CB-CE1 4.12Å; D127-Y159 WeakPolarHBondContact OD1-CE1 3.44Å; E154-Y159 WeakPolarHBondContact OE2-CE2 3.45Å; E154-Y159 PolarHBondContact OE2-OH 2.95Å; E154-Y159 VanDerWaalsContact OE2-OH 3.12Å; S156-Y159 VanDerWaalsContact CB-CE1 3.42Å; S156-Y159 VanDerWaalsContact O-CB 3.26Å; S156-Y159 WeakPolarHBondContact O-CB 3.38Å; S156-Y159 VanDerWaalsContact O-CG 3.27Å; S156-Y159 PolarHBondContact O-N 3.12Å; P157-Y159 VanDerWaalsContact C-N 3.3Å; Y159-I161 PolarHBondContact O-N 3.47Å; Y159-I161 VanDerWaalsContact O-N 3.11Å; Y159-T162 PolarHBondContact O-N 2.98Å; Y159-V165 HydrophobicContact CD1-CG1 4.14Å; Y159-V165 HydrophobicContact CD1-CG2 4.22Å; Y159-V165 HydrophobicContact CD2-CG1 4.34Å; Y159-V165 HydrophobicContact CG-CG1 3.81Å; Y159-I169 HydrophobicContact CD2-CD1 4.11Å; Y159-W241 WeakPolarHBondContact O-CZ2 3.44Å
160	F	98.9	Very high	98.5	Very high	0 Å²	0	26.8 Å²	26.8	0%	0	13%	0.132	C	C	.	.	T	Hydrogen-bonded Turn	trans	-54.2	-35.1	-177.4	-173.2	-113.5	0	0	0	114.2	I96 V98 A158 I180 Y234 H237 W241	I96-F160 HydrophobicContact CD1-CD2 4.17Å; I96-F160 HydrophobicContact CG1-CD2 4.47Å; I96-F160 VanDerWaalsContact O-CB 3.31Å; I96-F160 WeakPolarHBondContact O-CB 3.42Å; I96-F160 PolarHBondContact O-N 3.24Å; V98-F160 HydrophobicContact CB-CD1 4.25Å; V98-F160 HydrophobicContact CG1-CD1 3.41Å; V98-F160 VanDerWaalsContact CG1-CD1 3.41Å; V98-F160 HydrophobicContact CG1-CE1 3.43Å; V98-F160 VanDerWaalsContact CG1-CE1 3.43Å; V98-F160 HydrophobicContact CG1-CG 4.02Å; V98-F160 HydrophobicContact CG1-CZ 4.1Å; A158-F160 PolarHBondContact O-N 3.24Å; A158-F160 VanDerWaalsContact O-N 3.14Å; F160-I180 HydrophobicContact CD2-CD1 4.19Å; F160-I180 HydrophobicContact CD2-CG1 4.4Å; F160-I180 HydrophobicContact CD2-CG2 4.42Å; F160-I180 HydrophobicContact CE2-CD1 3.71Å; F160-I180 HydrophobicContact CE2-CG1 4.31Å; F160-I180 HydrophobicContact CE2-CG2 4.14Å; F160-I180 HydrophobicContact CZ-CG2 4.44Å; F160-Y234 HydrophobicContact CE1-CD1 4.31Å; F160-H237 HydrophobicContact CD1-CB 3.78Å; F160-H237 HydrophobicContact CD2-CB 4.46Å; F160-H237 HydrophobicContact CE1-CB 3.3Å; F160-H237 AromaticContact CE1-CD2 3.99Å; F160-H237 AromaticContact CE1-CG 3.84Å; F160-H237 HydrophobicContact CE2-CB 4.03Å; F160-H237 HydrophobicContact CG-CB 4.36Å; F160-H237 HydrophobicContact CZ-CB 3.44Å; F160-H237 VanDerWaalsContact CZ-CB 3.44Å; F160-W241 AromaticContact CD2-NE1 3.78Å; F160-W241 PolarHBondContact O-NE1 3.1Å
161	I	98.6	Very high	98.6	Very high	64 Å²	64	33.2 Å²	33.2	33%	0.328	16%	0.159	S	C	.	.	T	Hydrogen-bonded Turn	trans	-98	-24.1	-175	64.3	164.4	0	0	0	114.2	A158 Y159 T231 R240	A158-I161 VanDerWaalsContact O-CG1 3.24Å; A158-I161 WeakPolarHBondContact O-CG1 3.39Å; A158-I161 PolarHBondContact O-N 3.44Å; Y159-I161 PolarHBondContact O-N 3.47Å; Y159-I161 VanDerWaalsContact O-N 3.11Å; I161-T231 HydrophobicContact CG2-CG2 3.9Å; I161-R240 PolarHBondContact O-NH2 2.97Å
162	T	98.7	Very high	98.7	Very high	28 Å²	28	34.3 Å²	34.3	17%	0.172	17%	0.165	C	C	.	.			trans	-69.7	137.5	-179.3	-56.3	0	0	0	0	110.4	D127 A158 Y159 E164 V165	D127-T162 HydrophobicContact CB-CG2 3.98Å; A158-T162 PolarHBondContact O-N 3.27Å; A158-T162 PolarHBondContact O-OG1 3.41Å; A158-T162 VanDerWaalsContact O-OG1 3.11Å; Y159-T162 PolarHBondContact O-N 2.98Å; T162-E164 HydrophobicContact CG2-CG 4.16Å; T162-E164 WeakPolarHBondContact CG2-OE1 3.49Å; T162-E164 WeakPolarHBondContact CG2-OE2 3.4Å; T162-V165 HydrophobicContact CG2-CG2 3.6Å
163	E	98.3	Very high	98.7	Very high	152 Å²	152	37.2 Å²	37.2	71%	0.71	18%	0.18	S	C	*	.	S	Bend	trans	-78.7	-38.3	-164.8	-66	-174.4	-179.5	0	0	112.7	P166	E163-P166 WeakPolarHBondContact O-CD 3.48Å
164	E	98.6	Very high	98.7	Very high	68 Å²	68	39.8 Å²	39.8	32%	0.318	20%	0.198	S	C	.	.	S	Bend	trans	-80	-16.3	-178.1	63.3	-82.3	-174.7	0	0	114.1	T162 E167 R168	T162-E164 HydrophobicContact CG2-CG 4.16Å; T162-E164 WeakPolarHBondContact CG2-OE1 3.49Å; T162-E164 WeakPolarHBondContact CG2-OE2 3.4Å; E164-E167 PolarHBondContact O-N 2.92Å; E164-R168 WeakPolarHBondContact O-CG 3.33Å; E164-R168 PolarHBondContact O-N 3.17Å
165	V	98.9	Very high	98.7	Very high	0 Å²	0	44 Å²	44	0%	0	23%	0.227	C	C	.	.	H	α-helix	trans	-64	-44.1	-172.4	172.3	0	0	0	0	114.4	F126 D127 Y159 T162 E167 R168 I169 W241	F126-V165 HydrophobicContact CB-CB 4.32Å; F126-V165 HydrophobicContact CB-CG1 3.81Å; F126-V165 HydrophobicContact CB-CG2 3.91Å; F126-V165 WeakPolarHBondContact O-CG2 3.34Å; D127-V165 HydrophobicContact CB-CG2 3.85Å; Y159-V165 HydrophobicContact CD1-CG1 4.14Å; Y159-V165 HydrophobicContact CD1-CG2 4.22Å; Y159-V165 HydrophobicContact CD2-CG1 4.34Å; Y159-V165 HydrophobicContact CG-CG1 3.81Å; T162-V165 HydrophobicContact CG2-CG2 3.6Å; V165-E167 VanDerWaalsContact C-N 3.31Å; V165-E167 PolarHBondContact O-N 3.2Å; V165-R168 PolarHBondContact O-N 2.89Å; V165-I169 HydrophobicContact CG1-CD1 3.55Å; V165-I169 HydrophobicContact CG1-CG1 4.02Å; V165-I169 WeakPolarHBondContact O-CG1 3.33Å; V165-I169 PolarHBondContact O-N 3.48Å; V165-W241 HydrophobicContact CG1-CH2 3.83Å; V165-W241 HydrophobicContact CG1-CZ2 4.04Å
166	P	98.9	Very high	98.7	Very high	1 Å²	1	44 Å²	44	1%	0.006	23%	0.227	C	C	.	.	H	α-helix	trans	-54.7	-46.3	179.5	-26.9	35.3	0	0	0	112.7	E163 I169 F170 W241 Y244 F245	E163-P166 WeakPolarHBondContact O-CD 3.48Å; P166-I169 PolarHBondContact O-N 2.87Å; P166-F170 WeakPolarHBondContact O-CB 3.24Å; P166-F170 PolarHBondContact O-N 3.3Å; P166-W241 HydrophobicContact CB-CD2 4.17Å; P166-W241 HydrophobicContact CB-CE3 4.15Å; P166-W241 HydrophobicContact CG-CD2 3.76Å; P166-W241 HydrophobicContact CG-CE3 4.19Å; P166-W241 HydrophobicContact CG-CG 4.03Å; P166-W241 HydrophobicContact CG-CZ2 4.23Å; P166-Y244 HydrophobicContact CB-CD2 3.53Å; P166-Y244 HydrophobicContact CB-CE2 4.03Å; P166-Y244 HydrophobicContact CB-CG 4.23Å; P166-F245 WeakPolarHBondContact O-CE2 3.29Å
167	E	98.9	Very high	98.7	Very high	71 Å²	71	46.2 Å²	46.2	33%	0.332	24%	0.237	S	C	.	.	H	α-helix	trans	-62.9	-45.9	178	-171.3	-172.8	164.3	0	0	111.6	E164 V165 I169 F170 K171 Y244	E164-E167 PolarHBondContact O-N 2.92Å; V165-E167 VanDerWaalsContact C-N 3.31Å; V165-E167 PolarHBondContact O-N 3.2Å; E167-I169 VanDerWaalsContact C-N 3.35Å; E167-I169 PolarHBondContact O-N 3.23Å; E167-F170 WeakPolarHBondContact O-CB 3.33Å; E167-F170 PolarHBondContact O-N 2.81Å; E167-K171 HydrophobicContact CG-CD 4.47Å; E167-K171 WeakPolarHBondContact O-CG 3.46Å; E167-K171 PolarHBondContact O-N 3.25Å; E167-K171 WeakPolarHBondContact OE1-CE 3.3Å; E167-K171 IonicContact OE1-NZ 2.6Å; E167-K171 PolarHBondContact OE1-NZ 3.16Å; E167-Y244 HydrophobicContact CB-CD1 4.4Å; E167-Y244 HydrophobicContact CB-CE1 3.68Å; E167-Y244 HydrophobicContact CB-CE2 4.18Å; E167-Y244 HydrophobicContact CG-CE1 3.7Å
168	R	98.8	Very high	98.7	Very high	38 Å²	38	45.8 Å²	45.8	14%	0.143	23%	0.234	C	C	.	.	H	α-helix	trans	-64	-39.7	-178.3	-66.8	176.2	172.9	-178.3	-3.3	112.2	F126 D129 Y132 E164 V165 M172	F126-R168 HydrophobicContact CB-CB 4.43Å; F126-R168 HydrophobicContact CD1-CB 3.66Å; F126-R168 HydrophobicContact CE1-CB 4.41Å; F126-R168 HydrophobicContact CG-CB 4.46Å; F126-R168 VanDerWaalsContact O-CD 3.24Å; F126-R168 WeakPolarHBondContact O-CD 3.46Å; F126-R168 PolarHBondContact O-NH1 3.04Å; D129-R168 IonicContact OD1-CZ 2.64Å; D129-R168 VanDerWaalsContact OD1-CZ 3.29Å; D129-R168 IonicContact OD1-NH1 2.69Å; D129-R168 PolarHBondContact OD1-NH1 3.47Å; D129-R168 IonicContact OD1-NH2 3.29Å; D129-R168 PolarHBondContact OD1-NH2 3.21Å; Y132-R168 HydrophobicContact CD1-CG 4.48Å; Y132-R168 HydrophobicContact CD2-CG 4.5Å; Y132-R168 HydrophobicContact CE1-CG 3.86Å; Y132-R168 HydrophobicContact CE2-CB 3.77Å; Y132-R168 HydrophobicContact CE2-CG 3.9Å; E164-R168 WeakPolarHBondContact O-CG 3.33Å; E164-R168 PolarHBondContact O-N 3.17Å; V165-R168 PolarHBondContact O-N 2.89Å; R168-M172 PolarHBondContact O-N 2.96Å
169	I	98.9	Very high	98.7	Very high	0 Å²	0	44.5 Å²	44.5	0%	0	22%	0.224	C	C	.	.	H	α-helix	trans	-68.6	-40.3	174.7	-66.4	178.2	0	0	0	110.2	I94 I96 F126 Y159 V165 P166 E167 K171 M172 N173 I176 L178 W241 F245	I94-I169 HydrophobicContact CD1-CD1 4.2Å; I94-I169 HydrophobicContact CD1-CG2 4.36Å; I96-I169 HydrophobicContact CG2-CD1 4.38Å; F126-I169 HydrophobicContact CB-CG1 4.31Å; F126-I169 HydrophobicContact CD1-CG1 3.89Å; F126-I169 HydrophobicContact CD2-CD1 3.86Å; F126-I169 HydrophobicContact CD2-CG1 3.45Å; F126-I169 VanDerWaalsContact CD2-CG1 3.45Å; F126-I169 HydrophobicContact CE1-CG1 3.98Å; F126-I169 HydrophobicContact CE2-CD1 4.18Å; F126-I169 HydrophobicContact CE2-CG1 3.6Å; F126-I169 HydrophobicContact CG-CD1 4.3Å; F126-I169 HydrophobicContact CG-CG1 3.61Å; F126-I169 HydrophobicContact CZ-CG1 3.84Å; Y159-I169 HydrophobicContact CD2-CD1 4.11Å; V165-I169 HydrophobicContact CG1-CD1 3.55Å; V165-I169 HydrophobicContact CG1-CG1 4.02Å; V165-I169 WeakPolarHBondContact O-CG1 3.33Å; V165-I169 PolarHBondContact O-N 3.48Å; P166-I169 PolarHBondContact O-N 2.87Å; E167-I169 VanDerWaalsContact C-N 3.35Å; E167-I169 PolarHBondContact O-N 3.23Å; I169-K171 VanDerWaalsContact C-N 3.33Å; I169-K171 PolarHBondContact O-N 3.04Å; I169-M172 HydrophobicContact CG2-CE 4.46Å; I169-M172 WeakPolarHBondContact O-CB 3.42Å; I169-M172 PolarHBondContact O-N 3.46Å; I169-M172 VanDerWaalsContact O-N 3.1Å; I169-N173 PolarHBondContact O-N 3.25Å; I169-I176 HydrophobicContact CG2-CG2 3.75Å; I169-L178 HydrophobicContact CG2-CD2 4.47Å; I169-W241 HydrophobicContact CD1-CH2 3.7Å; I169-W241 HydrophobicContact CD1-CZ3 4.01Å; I169-F245 HydrophobicContact CB-CZ 4.12Å; I169-F245 HydrophobicContact CG2-CE2 4.44Å; I169-F245 HydrophobicContact CG2-CZ 3.75Å
170	F	98.9	Very high	98.7	Very high	83 Å²	83	44.5 Å²	44.5	36%	0.364	22%	0.224	S	C	.	.	H	α-helix	trans	-61.5	-42.5	179.1	-177.9	-93.2	0	0	0	111.6	P166 E167 M172 N173 S174 Y244 F245	P166-F170 WeakPolarHBondContact O-CB 3.24Å; P166-F170 PolarHBondContact O-N 3.3Å; E167-F170 WeakPolarHBondContact O-CB 3.33Å; E167-F170 PolarHBondContact O-N 2.81Å; F170-M172 VanDerWaalsContact C-N 3.28Å; F170-M172 PolarHBondContact O-N 2.82Å; F170-N173 CarbonylContact O-C 3.4Å; F170-N173 PolarHBondContact O-N 2.97Å; F170-S174 PolarHBondContact O-N 3.14Å; F170-S174 VanDerWaalsContact O-N 3.14Å; F170-Y244 HydrophobicContact CB-CD1 4.04Å; F170-Y244 HydrophobicContact CB-CG 4.41Å; F170-Y244 HydrophobicContact CD1-CD1 4.3Å; F170-Y244 WeakPolarHBondContact CD2-O 3.4Å; F170-Y244 WeakPolarHBondContact CE2-O 3.35Å; F170-Y244 HydrophobicContact CG-CD1 4.07Å; F170-F245 VanDerWaalsContact CA-CZ 3.5Å; F170-F245 HydrophobicContact CB-CE1 4.19Å; F170-F245 HydrophobicContact CB-CE2 4.14Å; F170-F245 HydrophobicContact CB-CZ 3.68Å; F170-F245 HydrophobicContact CD2-CD1 4.18Å; F170-F245 AromaticContact CD2-CE1 3.89Å; F170-F245 HydrophobicContact CD2-CE1 3.89Å; F170-F245 HydrophobicContact CD2-CZ 4.18Å; F170-F245 HydrophobicContact CG-CZ 4.45Å
171	K	98.7	Very high	98.7	Very high	137 Å²	137	44.5 Å²	44.5	60%	0.596	22%	0.224	S	C	*	.	H	α-helix	trans	-60.8	-33.9	173.7	-73.9	177.6	-177.6	170.8	0	113.1	E167 I169	E167-K171 HydrophobicContact CG-CD 4.47Å; E167-K171 WeakPolarHBondContact O-CG 3.46Å; E167-K171 PolarHBondContact O-N 3.25Å; E167-K171 WeakPolarHBondContact OE1-CE 3.3Å; E167-K171 IonicContact OE1-NZ 2.6Å; E167-K171 PolarHBondContact OE1-NZ 3.16Å; I169-K171 VanDerWaalsContact C-N 3.33Å; I169-K171 PolarHBondContact O-N 3.04Å
172	M	98.6	Very high	98.8	Very high	41 Å²	41	41.4 Å²	41.4	20%	0.202	21%	0.208	C	C	.	.	H	α-helix	trans	-72.1	-50.1	175.4	177.2	-167.9	65.7	0	0	111.3	L90 I94 F126 I136 Y139 R168 I169 F170 I176	L90-M172 HydrophobicContact CD1-CG 4.35Å; L90-M172 HydrophobicContact CD1-SD 4.32Å; L90-M172 HydrophobicContact CD2-SD 4.37Å; I94-M172 HydrophobicContact CD1-CE 4.27Å; F126-M172 HydrophobicContact CE1-CB 4.38Å; F126-M172 HydrophobicContact CE1-SD 4.49Å; F126-M172 HydrophobicContact CE2-CE 4.45Å; F126-M172 HydrophobicContact CZ-CB 4.37Å; F126-M172 HydrophobicContact CZ-CE 3.86Å; F126-M172 HydrophobicContact CZ-SD 3.67Å; I136-M172 HydrophobicContact CD1-CB 4.37Å; I136-M172 HydrophobicContact CD1-CG 3.59Å; I136-M172 HydrophobicContact CD1-SD 3.59Å; I136-M172 VanDerWaalsContact CD1-SD 3.59Å; I136-M172 HydrophobicContact CG1-CG 4.43Å; Y139-M172 HydrophobicContact CD1-SD 4.08Å; Y139-M172 HydrophobicContact CE1-SD 3.87Å; R168-M172 PolarHBondContact O-N 2.96Å; I169-M172 HydrophobicContact CG2-CE 4.46Å; I169-M172 WeakPolarHBondContact O-CB 3.42Å; I169-M172 PolarHBondContact O-N 3.46Å; I169-M172 VanDerWaalsContact O-N 3.1Å; F170-M172 VanDerWaalsContact C-N 3.28Å; F170-M172 PolarHBondContact O-N 2.82Å; M172-I176 HydrophobicContact CE-CD1 3.59Å
173	N	98.6	Very high	98.7	Very high	61 Å²	61	42.1 Å²	42.1	33%	0.326	21%	0.208	S	C	.	.			trans	-159.5	102.1	-177	-179.1	-0.1	0	0	0	109.8	I169 F170 S175 I176	I169-N173 PolarHBondContact O-N 3.25Å; F170-N173 CarbonylContact O-C 3.4Å; F170-N173 PolarHBondContact O-N 2.97Å; N173-S175 PolarHBondContact O-N 3.33Å; N173-S175 PolarHBondContact OD1-N 3.35Å; N173-I176 HydrophobicContact CB-CB 4.13Å; N173-I176 WeakPolarHBondContact O-CB 3.26Å; N173-I176 VanDerWaalsContact O-CG2 3.3Å; N173-I176 WeakPolarHBondContact O-CG2 3.49Å; N173-I176 PolarHBondContact O-N 3.31Å; N173-I176 PolarHBondContact OD1-N 2.98Å
174	S	98.6	Very high	98.7	Very high	54 Å²	54	35.3 Å²	35.3	38%	0.378	18%	0.176	S	C	.	.	T	Hydrogen-bonded Turn	trans	-67	-21	178.7	52.2	0	0	0	0	113.3	F170 Q249	F170-S174 PolarHBondContact O-N 3.14Å; F170-S174 VanDerWaalsContact O-N 3.14Å; S174-Q249 PolarHBondContact O-NE2 3Å; S174-Q249 PolarHBondContact O-OE1 2.9Å
175	S	98.6	Very high	98.8	Very high	88 Å²	88	32.1 Å²	32.1	62%	0.615	16%	0.161	S	C	*	.	T	Hydrogen-bonded Turn	trans	-97.9	12.1	179.3	-50.4	0	0	0	0	114.1	N173 Q249	N173-S175 PolarHBondContact O-N 3.33Å; N173-S175 PolarHBondContact OD1-N 3.35Å; S175-Q249 VanDerWaalsContact C-NE2 3.28Å
176	I	98.8	Very high	98.7	Very high	1 Å²	1	32.3 Å²	32.3	1%	0.005	16%	0.162	C	C	.	.			trans	-67.2	146.2	-178.1	-161	165.7	0	0	0	112.4	P91 R92 I94 I169 M172 N173 L178 F245 Q249	P91-I176 WeakPolarHBondContact O-CD1 3.43Å; R92-I176 WeakPolarHBondContact O-CG1 3.45Å; I94-I176 HydrophobicContact CD1-CD1 3.58Å; I94-I176 HydrophobicContact CG1-CD1 3.72Å; I169-I176 HydrophobicContact CG2-CG2 3.75Å; M172-I176 HydrophobicContact CE-CD1 3.59Å; N173-I176 HydrophobicContact CB-CB 4.13Å; N173-I176 WeakPolarHBondContact O-CB 3.26Å; N173-I176 VanDerWaalsContact O-CG2 3.3Å; N173-I176 WeakPolarHBondContact O-CG2 3.49Å; N173-I176 PolarHBondContact O-N 3.31Å; N173-I176 PolarHBondContact OD1-N 2.98Å; I176-L178 HydrophobicContact CG2-CD2 3.89Å; I176-L178 HydrophobicContact CG2-CG 4.2Å; I176-F245 HydrophobicContact CG2-CE1 3.83Å; I176-F245 HydrophobicContact CG2-CZ 4.24Å; I176-Q249 PolarHBondContact O-NE2 2.9Å
177	K	98.9	Very high	98.7	Very high	47 Å²	47	34.1 Å²	34.1	20%	0.204	17%	0.173	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.3	134.4	173.7	-70.7	-174.2	-179	179.4	0	111.3	R92 A93 I94 F272 L273 N274	R92-K177 PolarHBondContact O-N 3.37Å; A93-K177 CarbonylContact C-O 3.48Å; A93-K177 WeakPolarHBondContact CA-O 3.45Å; A93-K177 HydrophobicContact CB-CB 4.14Å; I94-K177 PolarHBondContact N-O 2.83Å; K177-F272 HydrophobicContact CB-CE1 3.7Å; K177-F272 HydrophobicContact CB-CZ 3.8Å; K177-F272 HydrophobicContact CD-CD1 4.46Å; K177-F272 HydrophobicContact CD-CE1 4.11Å; K177-F272 HydrophobicContact CD-CZ 4.14Å; K177-F272 WeakPolarHBondContact CD-O 3.41Å; K177-F272 WeakPolarHBondContact CE-O 3.46Å; K177-F272 HydrophobicContact CG-CE1 4.18Å; K177-F272 HydrophobicContact CG-CZ 3.97Å; K177-F272 PolarHBondContact NZ-O 2.78Å; K177-L273 HydrophobicContact CB-CD2 4.2Å; K177-L273 HydrophobicContact CD-CD2 4.05Å; K177-N274 VanDerWaalsContact NZ-CG 3.28Å; K177-N274 PolarHBondContact NZ-ND2 3.03Å
178	L	98.9	Very high	98.7	Very high	0 Å²	0	30.8 Å²	30.8	0%	0	16%	0.158	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.1	126.6	-174.5	-60.8	173.8	0	0	0	110.4	I94 I96 I169 I176 W241 F245 Q249 F250 H251	I94-L178 HydrophobicContact CB-CD2 4.32Å; I96-L178 HydrophobicContact CD1-CB 4.27Å; I96-L178 HydrophobicContact CG2-CD2 3.82Å; I169-L178 HydrophobicContact CG2-CD2 4.47Å; I176-L178 HydrophobicContact CG2-CD2 3.89Å; I176-L178 HydrophobicContact CG2-CG 4.2Å; L178-W241 HydrophobicContact CD1-CE3 3.71Å; L178-W241 HydrophobicContact CD1-CZ3 3.71Å; L178-W241 HydrophobicContact CD2-CZ3 4.22Å; L178-F245 HydrophobicContact CD1-CB 4.34Å; L178-F245 HydrophobicContact CD1-CD1 4.23Å; L178-F245 HydrophobicContact CD1-CD2 3.7Å; L178-F245 HydrophobicContact CD1-CE1 4.46Å; L178-F245 HydrophobicContact CD1-CE2 3.97Å; L178-F245 HydrophobicContact CD1-CG 3.83Å; L178-F245 HydrophobicContact CD1-CZ 4.32Å; L178-Q249 PolarHBondContact N-O 3.17Å; L178-F250 HydrophobicContact CB-CD1 3.7Å; L178-F250 HydrophobicContact CB-CE1 3.86Å; L178-F250 HydrophobicContact CB-CG 4.45Å; L178-F250 HydrophobicContact CD1-CD1 4.07Å; L178-F250 HydrophobicContact CD1-CE1 3.35Å; L178-F250 HydrophobicContact CD1-CE2 4.46Å; L178-F250 HydrophobicContact CD1-CZ 3.58Å; L178-F250 HydrophobicContact CG-CE1 4.25Å; L178-F250 CarbonylContact O-C 3.21Å; L178-F250 WeakPolarHBondContact O-CA 3.3Å; L178-H251 PolarHBondContact O-N 3.26Å
179	L	98.9	Very high	98.7	Very high	0 Å²	0	29 Å²	29	0%	0	15%	0.151	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.6	126.8	177.6	-71.5	166.2	0	0	0	109.8	I94 I95 I96 L110 H251 V253 V269 F272 L273	I94-L179 PolarHBondContact O-N 2.94Å; I95-L179 WeakPolarHBondContact CA-O 3.32Å; I95-L179 HydrophobicContact CB-CB 4.37Å; I95-L179 HydrophobicContact CG1-CB 3.87Å; I95-L179 HydrophobicContact CG1-CD1 3.87Å; I96-L179 PolarHBondContact N-O 3.02Å; L110-L179 HydrophobicContact CD1-CD1 4.01Å; L179-H251 HydrophobicContact CD2-CB 3.86Å; L179-V253 HydrophobicContact CD2-CG2 4.36Å; L179-V269 HydrophobicContact CD1-CG1 4.04Å; L179-V269 HydrophobicContact CD2-CG1 3.79Å; L179-V269 HydrophobicContact CD2-CG2 4.25Å; L179-F272 HydrophobicContact CD2-CD1 3.95Å; L179-F272 HydrophobicContact CD2-CE1 4.07Å; L179-F272 HydrophobicContact CG-CE1 4.42Å; L179-L273 HydrophobicContact CD1-CD1 4.39Å
180	I	98.9	Very high	98.7	Very high	0 Å²	0	29.5 Å²	29.5	0%	0	15%	0.154	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.2	116.3	174	-54.8	168.4	0	0	0	107.5	I96 G97 V98 F160 V182 L238 F250 H251 I252 V253	I96-I180 HydrophobicContact CD1-CD1 4.04Å; I96-I180 HydrophobicContact CD1-CG1 3.71Å; I96-I180 HydrophobicContact CG1-CG1 3.73Å; G97-I180 CarbonylContact O-C 3.57Å; G97-I180 WeakPolarHBondContact O-CA 3.39Å; V98-I180 HydrophobicContact CG1-CG2 3.93Å; F160-I180 HydrophobicContact CD2-CD1 4.19Å; F160-I180 HydrophobicContact CD2-CG1 4.4Å; F160-I180 HydrophobicContact CD2-CG2 4.42Å; F160-I180 HydrophobicContact CE2-CD1 3.71Å; F160-I180 HydrophobicContact CE2-CG1 4.31Å; F160-I180 HydrophobicContact CE2-CG2 4.14Å; F160-I180 HydrophobicContact CZ-CG2 4.44Å; I180-V182 HydrophobicContact CG2-CG1 3.86Å; I180-L238 HydrophobicContact CD1-CD1 4.02Å; I180-F250 HydrophobicContact CD1-CD1 3.63Å; I180-F250 HydrophobicContact CD1-CE1 4.21Å; I180-F250 HydrophobicContact CG1-CD1 4.32Å; I180-H251 PolarHBondContact N-O 2.97Å; I180-I252 HydrophobicContact CB-CD1 3.86Å; I180-I252 HydrophobicContact CD1-CD1 3.68Å; I180-I252 HydrophobicContact CG1-CD1 4.19Å; I180-I252 CarbonylContact O-C 3.43Å; I180-I252 VanDerWaalsContact O-CA 3.26Å; I180-I252 WeakPolarHBondContact O-CA 3.44Å; I180-V253 PolarHBondContact O-N 3.1Å
181	I	98.9	Very high	98.7	Very high	0 Å²	0	26 Å²	26	0%	0	14%	0.14	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100	120.9	170.6	-175.8	174.5	0	0	0	110.1	G97 V98 G101 T103 L106 V253 L258	G97-I181 WeakPolarHBondContact O-CG2 3.24Å; G97-I181 PolarHBondContact O-N 3.47Å; V98-I181 WeakPolarHBondContact CG2-O 3.46Å; V98-I181 PolarHBondContact N-O 3.31Å; G101-I181 VanDerWaalsContact O-CD1 3.31Å; G101-I181 WeakPolarHBondContact O-CD1 3.44Å; G101-I181 VanDerWaalsContact O-CG1 3.32Å; G101-I181 WeakPolarHBondContact O-CG1 3.38Å; T103-I181 HydrophobicContact CG2-CG2 3.44Å; T103-I181 VanDerWaalsContact CG2-CG2 3.44Å; L106-I181 HydrophobicContact CB-CD1 4.2Å; L106-I181 HydrophobicContact CD2-CB 4.1Å; L106-I181 HydrophobicContact CD2-CG2 4.26Å; I181-V253 WeakPolarHBondContact CA-O 3.3Å; I181-V253 HydrophobicContact CB-CB 3.93Å; I181-V253 HydrophobicContact CB-CG1 4.36Å; I181-V253 HydrophobicContact CD1-CG1 4.03Å; I181-V253 HydrophobicContact CG1-CB 3.99Å; I181-V253 HydrophobicContact CG1-CG1 3.95Å; I181-L258 HydrophobicContact CD1-CB 4.48Å; I181-L258 HydrophobicContact CD1-CD2 3.4Å; I181-L258 VanDerWaalsContact CD1-CD2 3.4Å
182	V	98.8	Very high	98.7	Very high	0 Å²	0	20 Å²	20	0%	0	11%	0.114	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.9	158.3	-177.8	-68.4	0	0	0	0	111	V98 I180 Y234 I252 V253 G255 F335 F343 W345	V98-V182 HydrophobicContact CG1-CG1 4.07Å; I180-V182 HydrophobicContact CG2-CG1 3.86Å; V182-Y234 HydrophobicContact CB-CD2 4.19Å; V182-Y234 HydrophobicContact CB-CE2 3.85Å; V182-Y234 HydrophobicContact CG1-CD1 4.34Å; V182-Y234 HydrophobicContact CG1-CD2 3.91Å; V182-Y234 HydrophobicContact CG1-CE1 4.41Å; V182-Y234 HydrophobicContact CG1-CE2 3.98Å; V182-Y234 HydrophobicContact CG1-CG 4.1Å; V182-I252 HydrophobicContact CG1-CG2 4.42Å; V182-I252 HydrophobicContact CG2-CG2 3.65Å; V182-V253 PolarHBondContact N-O 3.15Å; V182-G255 VanDerWaalsContact O-CA 3.23Å; V182-G255 WeakPolarHBondContact O-CA 3.23Å; V182-G255 PolarHBondContact O-N 3.05Å; V182-F335 HydrophobicContact CG1-CE1 4.37Å; V182-F335 HydrophobicContact CG1-CZ 3.96Å; V182-F335 HydrophobicContact CG2-CE1 4.12Å; V182-F335 HydrophobicContact CG2-CZ 4.42Å; V182-F343 HydrophobicContact CG2-CD1 4.16Å; V182-F343 HydrophobicContact CG2-CE1 3.7Å; V182-F343 HydrophobicContact CG2-CZ 3.91Å; V182-W345 HydrophobicContact CB-CH2 4.02Å; V182-W345 HydrophobicContact CB-CZ2 4.07Å; V182-W345 HydrophobicContact CG2-CH2 3.81Å; V182-W345 HydrophobicContact CG2-CZ2 3.75Å
183	R	98	Very high	98.7	Very high	43 Å²	43	18.6 Å²	18.6	16%	0.162	11%	0.107	C	C	.	.			trans	-136.8	171.4	173.6	-70	-173.2	66.3	-170.2	1.8	109.2	G101 P185 Y234 D256 W345	G101-R183 WeakPolarHBondContact O-CD 3.38Å; G101-R183 WeakPolarHBondContact O-CG 3.35Å; R183-P185 WeakPolarHBondContact O-CD 3.41Å; R183-P185 VanDerWaalsContact O-N 3.09Å; R183-Y234 WeakPolarHBondContact O-CE2 3.42Å; R183-Y234 PolarHBondContact O-OH 3.08Å; R183-D256 WeakPolarHBondContact CA-OD2 3.22Å; R183-D256 IonicContact CZ-OD1 3.79Å; R183-D256 IonicContact NE-OD1 3.32Å; R183-D256 PolarHBondContact NE-OD1 3.01Å; R183-D256 IonicContact NH2-OD1 2.73Å; R183-D256 PolarHBondContact NH2-OD1 2.72Å; R183-W345 WeakPolarHBondContact O-CZ2 3.34Å
184	E	98.6	Very high	98.7	Very high	9 Å²	9	15.9 Å²	15.9	4%	0.042	9%	0.093	C	C	.	.			trans	-46.2	119	171.7	-167.2	-80.8	123.1	0	0	110.4	T186 T187 R188 D256 W345 P346	E184-T186 VanDerWaalsContact C-N 3.29Å; E184-T186 PolarHBondContact O-N 2.88Å; E184-T186 WeakPolarHBondContact OE1-CA 3.3Å; E184-T186 WeakPolarHBondContact OE1-CB 3.31Å; E184-T186 PolarHBondContact OE1-N 3.22Å; E184-T186 PolarHBondContact OE1-OG1 3.38Å; E184-T186 WeakPolarHBondContact OE2-CB 3.46Å; E184-T187 WeakPolarHBondContact O-CB 3.26Å; E184-T187 PolarHBondContact O-N 2.82Å; E184-T187 VanDerWaalsContact O-N 3.16Å; E184-T187 VanDerWaalsContact OE2-CB 3.25Å; E184-T187 WeakPolarHBondContact OE2-CB 3.37Å; E184-T187 PolarHBondContact OE2-N 2.74Å; E184-T187 PolarHBondContact OE2-OG1 2.79Å; E184-R188 WeakPolarHBondContact O-CB 3.42Å; E184-R188 PolarHBondContact O-N 2.89Å; E184-D256 PolarHBondContact N-OD2 2.73Å; E184-W345 HydrophobicContact CB-CG 4.16Å; E184-W345 HydrophobicContact CG-CB 4.09Å; E184-W345 HydrophobicContact CG-CG 4.08Å; E184-P346 HydrophobicContact CG-CG 4.19Å
185	P	98.8	Very high	98.6	Very high	0 Å²	0	16.5 Å²	16.5	0%	0	9%	0.09	C	C	.	.	H	α-helix	trans	-51.6	-39.8	-170	-34.2	36.5	0	0	0	115.4	R183 A189 S232 Y234 F328 N332 W345	R183-P185 WeakPolarHBondContact O-CD 3.41Å; R183-P185 VanDerWaalsContact O-N 3.09Å; P185-A189 WeakPolarHBondContact O-CB 3.35Å; P185-A189 PolarHBondContact O-N 3.07Å; P185-S232 WeakPolarHBondContact O-CB 3.44Å; P185-S232 PolarHBondContact O-OG 3.36Å; P185-Y234 HydrophobicContact CG-CE2 3.96Å; P185-F328 HydrophobicContact CB-CB 3.96Å; P185-F328 HydrophobicContact CB-CD1 3.9Å; P185-F328 HydrophobicContact CB-CD2 3.53Å; P185-F328 HydrophobicContact CB-CE1 4.28Å; P185-F328 HydrophobicContact CB-CE2 3.94Å; P185-F328 HydrophobicContact CB-CG 3.53Å; P185-F328 HydrophobicContact CB-CZ 4.3Å; P185-F328 HydrophobicContact CG-CB 4.23Å; P185-F328 HydrophobicContact CG-CG 4.3Å; P185-N332 VanDerWaalsContact CG-OD1 3.27Å; P185-N332 WeakPolarHBondContact CG-OD1 3.37Å; P185-W345 VanDerWaalsContact CD-CE3 3.47Å; P185-W345 HydrophobicContact CG-CD2 4.38Å; P185-W345 HydrophobicContact CG-CE3 3.81Å; P185-W345 HydrophobicContact CG-CZ3 4.07Å
186	T	98.8	Very high	98.6	Very high	4 Å²	4	14.2 Å²	14.2	3%	0.025	7%	0.072	C	C	.	.	H	α-helix	trans	-69.6	-50.1	179.6	-46	0	0	0	0	110.2	E184 R188 A189 V190 V321 L324	E184-T186 VanDerWaalsContact C-N 3.29Å; E184-T186 PolarHBondContact O-N 2.88Å; E184-T186 WeakPolarHBondContact OE1-CA 3.3Å; E184-T186 WeakPolarHBondContact OE1-CB 3.31Å; E184-T186 PolarHBondContact OE1-N 3.22Å; E184-T186 PolarHBondContact OE1-OG1 3.38Å; E184-T186 WeakPolarHBondContact OE2-CB 3.46Å; T186-R188 VanDerWaalsContact C-N 3.27Å; T186-R188 PolarHBondContact O-N 3.38Å; T186-A189 WeakPolarHBondContact O-CB 3.39Å; T186-A189 PolarHBondContact O-N 2.87Å; T186-V190 WeakPolarHBondContact O-CG2 3.35Å; T186-V190 PolarHBondContact O-N 3.42Å; T186-V321 HydrophobicContact CG2-CG1 4.32Å; T186-L324 HydrophobicContact CG2-CB 3.84Å; T186-L324 HydrophobicContact CG2-CD1 3.89Å
187	T	98.6	Very high	98.5	Very high	40 Å²	40	15.7 Å²	15.7	25%	0.245	8%	0.079	C	C	.	.	H	α-helix	trans	-57.4	-41.1	175.3	-62	0	0	0	0	111.3	E184 V190 S191	E184-T187 WeakPolarHBondContact O-CB 3.26Å; E184-T187 PolarHBondContact O-N 2.82Å; E184-T187 VanDerWaalsContact O-N 3.16Å; E184-T187 VanDerWaalsContact OE2-CB 3.25Å; E184-T187 WeakPolarHBondContact OE2-CB 3.37Å; E184-T187 PolarHBondContact OE2-N 2.74Å; E184-T187 PolarHBondContact OE2-OG1 2.79Å; T187-V190 PolarHBondContact O-N 2.56Å; T187-S191 WeakPolarHBondContact O-CB 3.3Å; T187-S191 PolarHBondContact O-N 2.9Å
188	R	98.7	Very high	98.3	Very high	0 Å²	0	16.8 Å²	16.8	0%	0	9%	0.085	C	C	.	.	H	α-helix	trans	-63.4	-43.4	175.3	-167.8	-127.6	68	82.2	3.1	111.4	V98 R99 K100 E184 T186 S191 D192 A228 S232 Y234	V98-R188 HydrophobicContact CG2-CG 4.25Å; R99-R188 PolarHBondContact O-NH1 3.35Å; K100-R188 HydrophobicContact CB-CG 4.13Å; E184-R188 WeakPolarHBondContact O-CB 3.42Å; E184-R188 PolarHBondContact O-N 2.89Å; T186-R188 VanDerWaalsContact C-N 3.27Å; T186-R188 PolarHBondContact O-N 3.38Å; R188-S191 PolarHBondContact O-N 3.41Å; R188-D192 IonicContact CZ-OD2 2.94Å; R188-D192 IonicContact NH1-OD2 3.19Å; R188-D192 PolarHBondContact NH1-OD2 3.03Å; R188-D192 IonicContact NH2-OD2 3.49Å; R188-D192 PolarHBondContact NH2-OD2 3.32Å; R188-D192 PolarHBondContact O-N 3.42Å; R188-A228 VanDerWaalsContact NH2-CA 3.35Å; R188-A228 PolarHBondContact NH2-O 2.93Å; R188-S232 PolarHBondContact NE-OG 3.33Å; R188-Y234 WeakPolarHBondContact CD-OH 3.48Å
189	A	98.8	Very high	98.2	Very high	0 Å²	0	18 Å²	18	0%	0	10%	0.098	C	C	.	.	H	α-helix	trans	-64	-43.2	177.6	0	0	0	0	0	112.3	P185 T186 D192 Y193 F210 A228	P185-A189 WeakPolarHBondContact O-CB 3.35Å; P185-A189 PolarHBondContact O-N 3.07Å; T186-A189 WeakPolarHBondContact O-CB 3.39Å; T186-A189 PolarHBondContact O-N 2.87Å; A189-D192 WeakPolarHBondContact O-CB 3.16Å; A189-D192 PolarHBondContact O-N 3.33Å; A189-Y193 PolarHBondContact O-N 2.96Å; A189-F210 HydrophobicContact CB-CE2 4.33Å; A189-F210 HydrophobicContact CB-CZ 4.22Å; A189-A228 HydrophobicContact CB-CB 4.23Å
190	V	98.6	Very high	98.1	Very high	12 Å²	12	21.7 Å²	21.7	7%	0.073	11%	0.114	C	C	.	.	H	α-helix	trans	-62.4	-45.6	173.9	175.2	0	0	0	0	110.5	T186 T187 D192 Y193 T194 F210 H313 P314 V316	T186-V190 WeakPolarHBondContact O-CG2 3.35Å; T186-V190 PolarHBondContact O-N 3.42Å; T187-V190 PolarHBondContact O-N 2.56Å; V190-D192 PolarHBondContact O-N 3.49Å; V190-Y193 WeakPolarHBondContact O-CB 3.4Å; V190-Y193 PolarHBondContact O-N 3.47Å; V190-Y193 VanDerWaalsContact O-N 3.16Å; V190-T194 PolarHBondContact O-N 3.35Å; V190-T194 PolarHBondContact O-OG1 3.19Å; V190-F210 HydrophobicContact CG2-CD1 4.34Å; V190-F210 HydrophobicContact CG2-CE1 3.9Å; V190-F210 HydrophobicContact CG2-CE2 4.2Å; V190-F210 HydrophobicContact CG2-CZ 3.82Å; V190-H313 HydrophobicContact CG1-CB 3.92Å; V190-P314 HydrophobicContact CG1-CG 4.17Å; V190-V316 HydrophobicContact CG1-CG2 4.29Å; V190-V316 HydrophobicContact CG2-CG2 3.93Å
191	S	98.3	Very high	97.9	Very high	10 Å²	10	26.7 Å²	26.7	7%	0.07	14%	0.137	C	C	.	.	H	α-helix	trans	-62	-30.7	178.1	-160.7	0	0	0	0	113.4	K100 T187 R188 Q195 H313	K100-S191 WeakPolarHBondContact CE-O 3.2Å; K100-S191 WeakPolarHBondContact CE-OG 3.14Å; K100-S191 PolarHBondContact NZ-O 3.29Å; T187-S191 WeakPolarHBondContact O-CB 3.3Å; T187-S191 PolarHBondContact O-N 2.9Å; R188-S191 PolarHBondContact O-N 3.41Å; S191-Q195 PolarHBondContact O-N 3.32Å; S191-H313 WeakPolarHBondContact CB-NE2 3.42Å; S191-H313 PolarHBondContact OG-NE2 3.35Å
192	D	98.6	Very high	97.7	Very high	9 Å²	9	35.6 Å²	35.6	5%	0.048	17%	0.171	C	C	.	.	H	α-helix	trans	-70.5	-49	175.2	-156.2	-18.7	0	0	0	110.8	R99 K100 R188 A189 V190 T194 Q195 V196 A228	R99-D192 IonicContact CZ-OD1 2.81Å; R99-D192 IonicContact NE-OD1 3.69Å; R99-D192 PolarHBondContact NE-OD1 3.22Å; R99-D192 IonicContact NE-OD2 3.39Å; R99-D192 PolarHBondContact NE-OD2 3.03Å; R99-D192 IonicContact NH2-OD1 3.95Å; R99-D192 PolarHBondContact NH2-OD1 3.15Å; K100-D192 HydrophobicContact CG-CB 3.87Å; R188-D192 IonicContact CZ-OD2 2.94Å; R188-D192 IonicContact NH1-OD2 3.19Å; R188-D192 PolarHBondContact NH1-OD2 3.03Å; R188-D192 IonicContact NH2-OD2 3.49Å; R188-D192 PolarHBondContact NH2-OD2 3.32Å; R188-D192 PolarHBondContact O-N 3.42Å; A189-D192 WeakPolarHBondContact O-CB 3.16Å; A189-D192 PolarHBondContact O-N 3.33Å; V190-D192 PolarHBondContact O-N 3.49Å; D192-T194 PolarHBondContact O-N 3.47Å; D192-Q195 PolarHBondContact O-N 2.65Å; D192-V196 WeakPolarHBondContact O-CG2 2.98Å; D192-V196 PolarHBondContact O-N 3.12Å; D192-V196 VanDerWaalsContact O-N 3.12Å; D192-A228 HydrophobicContact CB-CB 4.04Å
193	Y	98.6	Very high	97.6	Very high	12 Å²	12	41.8 Å²	41.8	5%	0.047	20%	0.198	C	C	.	.	H	α-helix	trans	-53	-50.8	172.6	167.9	-95.7	0	0	0	111.9	A189 V190 Q195 V196 L197 Y207 H208 K209 F210 L213 P314	A189-Y193 PolarHBondContact O-N 2.96Å; V190-Y193 WeakPolarHBondContact O-CB 3.4Å; V190-Y193 PolarHBondContact O-N 3.47Å; V190-Y193 VanDerWaalsContact O-N 3.16Å; Y193-Q195 VanDerWaalsContact C-N 3.28Å; Y193-Q195 PolarHBondContact O-N 2.87Å; Y193-V196 CarbonylContact O-C 3.6Å; Y193-V196 WeakPolarHBondContact O-CA 3.38Å; Y193-V196 PolarHBondContact O-N 3.35Å; Y193-L197 HydrophobicContact CE1-CB 4.33Å; Y193-L197 HydrophobicContact CE1-CD2 3.85Å; Y193-L197 WeakPolarHBondContact O-CB 3.48Å; Y193-L197 PolarHBondContact O-N 2.89Å; Y193-Y207 HydrophobicContact CD2-CD1 4.23Å; Y193-Y207 AromaticContact CD2-CE1 3.7Å; Y193-Y207 HydrophobicContact CD2-CE1 3.7Å; Y193-Y207 AromaticContact CE2-CD1 3.65Å; Y193-Y207 HydrophobicContact CE2-CD1 3.65Å; Y193-Y207 AromaticContact CE2-CE1 3.57Å; Y193-Y207 HydrophobicContact CE2-CE1 3.57Å; Y193-H208 VanDerWaalsContact CE2-O 3.23Å; Y193-H208 WeakPolarHBondContact CE2-O 3.47Å; Y193-H208 PolarHBondContact OH-O 3.39Å; Y193-H208 VanDerWaalsContact OH-O 3.07Å; Y193-K209 WeakPolarHBondContact OH-CA 3.42Å; Y193-F210 HydrophobicContact CD1-CB 3.97Å; Y193-F210 HydrophobicContact CD1-CD2 4.17Å; Y193-F210 HydrophobicContact CD1-CG 4.48Å; Y193-F210 HydrophobicContact CD2-CB 4.17Å; Y193-F210 HydrophobicContact CD2-CD2 4.01Å; Y193-F210 HydrophobicContact CE1-CB 4.01Å; Y193-F210 HydrophobicContact CE2-CB 4.19Å; Y193-F210 HydrophobicContact CG-CB 4.06Å; Y193-F210 AromaticContact CG-CD2 3.64Å; Y193-F210 HydrophobicContact CG-CD2 3.64Å; Y193-F210 HydrophobicContact CG-CG 4.31Å; Y193-L213 HydrophobicContact CD2-CD1 3.89Å; Y193-L213 HydrophobicContact CE2-CD1 3.81Å; Y193-P314 HydrophobicContact CD1-CG 3.93Å; Y193-P314 HydrophobicContact CE1-CG 3.8Å
194	T	98.3	Very high	97.5	Very high	5 Å²	5	47.3 Å²	47.3	3%	0.031	23%	0.23	C	C	.	.	H	α-helix	trans	-56.7	-41.8	-179.5	-52	0	0	0	0	111.9	V190 D192 V196 L197 E198 R311 I312 P314	V190-T194 PolarHBondContact O-N 3.35Å; V190-T194 PolarHBondContact O-OG1 3.19Å; D192-T194 PolarHBondContact O-N 3.47Å; T194-V196 VanDerWaalsContact C-N 3.33Å; T194-V196 PolarHBondContact O-N 3.33Å; T194-L197 PolarHBondContact O-N 3.07Å; T194-E198 PolarHBondContact O-N 2.76Å; T194-R311 HydrophobicContact CG2-CB 4.01Å; T194-I312 WeakPolarHBondContact CG2-O 3.45Å; T194-P314 WeakPolarHBondContact OG1-CD 3.49Å
195	Q	97.8	Very high	97.4	Very high	67 Å²	67	52.8 Å²	52.8	31%	0.313	25%	0.254	S	S	.	.	H	α-helix	trans	-66.9	-35.7	177.6	177.4	174.7	-18.7	0	0	112.4	K100 S191 D192 Y193 G199	K100-Q195 HydrophobicContact CD-CB 4.5Å; S191-Q195 PolarHBondContact O-N 3.32Å; D192-Q195 PolarHBondContact O-N 2.65Å; Y193-Q195 VanDerWaalsContact C-N 3.28Å; Y193-Q195 PolarHBondContact O-N 2.87Å; Q195-G199 PolarHBondContact O-N 2.67Å
196	V	97.7	Very high	97.3	Very high	39 Å²	39	59.5 Å²	59.5	24%	0.236	30%	0.296	C	S	.	.	H	α-helix	trans	-70.6	-42.9	176.1	177.5	0	0	0	0	110.6	D192 Y193 T194 G199 K200 Y207	D192-V196 WeakPolarHBondContact O-CG2 2.98Å; D192-V196 PolarHBondContact O-N 3.12Å; D192-V196 VanDerWaalsContact O-N 3.12Å; Y193-V196 CarbonylContact O-C 3.6Å; Y193-V196 WeakPolarHBondContact O-CA 3.38Å; Y193-V196 PolarHBondContact O-N 3.35Å; T194-V196 VanDerWaalsContact C-N 3.33Å; T194-V196 PolarHBondContact O-N 3.33Å; V196-G199 PolarHBondContact O-N 3.27Å; V196-K200 HydrophobicContact CG1-CG 4.38Å; V196-K200 VanDerWaalsContact O-CG 3.31Å; V196-K200 WeakPolarHBondContact O-CG 3.15Å; V196-K200 PolarHBondContact O-N 2.93Å; V196-Y207 HydrophobicContact CB-CE1 4.22Å; V196-Y207 HydrophobicContact CG1-CD1 4.46Å; V196-Y207 HydrophobicContact CG1-CE1 3.73Å; V196-Y207 HydrophobicContact CG1-CE2 4.04Å
197	L	97.2	Very high	97.2	Very high	33 Å²	33	62.7 Å²	62.7	17%	0.173	31%	0.308	C	S	.	.	H	α-helix	trans	-55.9	-57.2	177.1	177.1	63.4	0	0	0	111.1	Y193 T194 G199 K200 E201 Y207	Y193-L197 HydrophobicContact CE1-CB 4.33Å; Y193-L197 HydrophobicContact CE1-CD2 3.85Å; Y193-L197 WeakPolarHBondContact O-CB 3.48Å; Y193-L197 PolarHBondContact O-N 2.89Å; T194-L197 PolarHBondContact O-N 3.07Å; L197-G199 PolarHBondContact O-N 2.89Å; L197-K200 WeakPolarHBondContact O-CA 3.19Å; L197-K200 WeakPolarHBondContact O-CB 3.47Å; L197-K200 PolarHBondContact O-N 2.86Å; L197-E201 HydrophobicContact CD1-CG 4.22Å; L197-E201 HydrophobicContact CG-CG 4.43Å; L197-E201 WeakPolarHBondContact O-CG 3.32Å; L197-E201 PolarHBondContact O-N 2.98Å; L197-Y207 HydrophobicContact CB-CD1 4.33Å; L197-Y207 HydrophobicContact CD1-CD1 4.25Å
198	E	95.5	Very high	97.1	Very high	70 Å²	70	65.7 Å²	65.7	33%	0.327	32%	0.319	S	S	.	.	H	α-helix	trans	-57.1	-37.4	177.2	-75.1	-177.6	-164.7	0	0	112.3	T194 K200 E201 R202 R311	T194-E198 PolarHBondContact O-N 2.76Å; E198-K200 VanDerWaalsContact C-N 3.27Å; E198-K200 PolarHBondContact O-N 3.47Å; E198-E201 PolarHBondContact O-N 2.91Å; E198-R202 WeakPolarHBondContact O-CB 3.35Å; E198-R202 PolarHBondContact O-N 3.06Å; E198-R311 VanDerWaalsContact CD-CD 3.47Å; E198-R311 WeakPolarHBondContact OE1-CD 3.31Å; E198-R311 WeakPolarHBondContact OE1-CG 3.49Å; E198-R311 IonicContact OE1-NE 3.7Å; E198-R311 PolarHBondContact OE1-NE 3.16Å; E198-R311 VanDerWaalsContact OE1-NE 3.15Å; E198-R311 WeakPolarHBondContact OE2-CD 3.43Å; E198-R311 IonicContact OE2-CZ 3.87Å; E198-R311 IonicContact OE2-NE 3.37Å; E198-R311 PolarHBondContact OE2-NE 2.97Å; E198-R311 IonicContact OE2-NH2 3.45Å; E198-R311 PolarHBondContact OE2-NH2 2.96Å
199	G	96.3	Very high	97.1	Very high	26 Å²	26	73.2 Å²	73.2	27%	0.268	35%	0.351	S	S	.	.	H	α-helix	trans	-66	-28.7	177.4	0	0	0	0	0	113.5	Q195 V196 L197 K203	Q195-G199 PolarHBondContact O-N 2.67Å; V196-G199 PolarHBondContact O-N 3.27Å; L197-G199 PolarHBondContact O-N 2.89Å; G199-K203 WeakPolarHBondContact O-CG 3.5Å
200	K	96.3	Very high	97	Very high	76 Å²	76	73.4 Å²	73.4	33%	0.33	35%	0.352	S	S	.	.	H	α-helix	trans	-81.3	-44.2	174.8	-68.8	-79.8	-176.1	170.9	0	110.8	V196 L197 E198 R202 K203 N204 K205 Y207	V196-K200 HydrophobicContact CG1-CG 4.38Å; V196-K200 VanDerWaalsContact O-CG 3.31Å; V196-K200 WeakPolarHBondContact O-CG 3.15Å; V196-K200 PolarHBondContact O-N 2.93Å; L197-K200 WeakPolarHBondContact O-CA 3.19Å; L197-K200 WeakPolarHBondContact O-CB 3.47Å; L197-K200 PolarHBondContact O-N 2.86Å; E198-K200 VanDerWaalsContact C-N 3.27Å; E198-K200 PolarHBondContact O-N 3.47Å; K200-R202 PolarHBondContact O-N 3.47Å; K200-K203 CarbonylContact O-C 3.36Å; K200-K203 WeakPolarHBondContact O-CA 3.16Å; K200-K203 PolarHBondContact O-N 3.36Å; K200-N204 PolarHBondContact O-N 3.41Å; K200-K205 CarbonylContact C-O 3.5Å; K200-K205 HydrophobicContact CB-CB 4.27Å; K200-K205 HydrophobicContact CD-CB 4.03Å; K200-K205 PolarHBondContact O-N 2.88Å; K200-Y207 HydrophobicContact CD-CD2 4.39Å; K200-Y207 HydrophobicContact CG-CD2 4.05Å; K200-Y207 HydrophobicContact CG-CG 4.18Å
201	E	95.3	Very high	97	Very high	105 Å²	105	75 Å²	75	49%	0.491	36%	0.359	S	S	.	.	H	α-helix	trans	-58.6	-46.6	176.8	-70.8	171.4	161.2	0	0	111.5	L197 E198 K203 N204	L197-E201 HydrophobicContact CD1-CG 4.22Å; L197-E201 HydrophobicContact CG-CG 4.43Å; L197-E201 WeakPolarHBondContact O-CG 3.32Å; L197-E201 PolarHBondContact O-N 2.98Å; E198-E201 PolarHBondContact O-N 2.91Å; E201-K203 PolarHBondContact O-N 3.41Å; E201-N204 WeakPolarHBondContact O-CA 3.42Å; E201-N204 PolarHBondContact O-N 2.87Å; E201-N204 PolarHBondContact O-OD1 2.83Å
202	R	95.3	Very high	97	Very high	188 Å²	188	81.4 Å²	81.4	71%	0.709	39%	0.386	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.5	-21.6	174.7	-170.8	-179.5	61	80.2	-4	113.6	E198 K200	E198-R202 WeakPolarHBondContact O-CB 3.35Å; E198-R202 PolarHBondContact O-N 3.06Å; K200-R202 PolarHBondContact O-N 3.47Å
203	K	96.6	Very high	96.9	Very high	129 Å²	129	82.3 Å²	82.3	56%	0.561	39%	0.39	S	S	*	.	T	Hydrogen-bonded Turn	trans	-101	11.9	176.9	-65.6	-178.6	-180	-173.4	0	112.2	G199 K200 E201 K205	G199-K203 WeakPolarHBondContact O-CG 3.5Å; K200-K203 CarbonylContact O-C 3.36Å; K200-K203 WeakPolarHBondContact O-CA 3.16Å; K200-K203 PolarHBondContact O-N 3.36Å; E201-K203 PolarHBondContact O-N 3.41Å; K203-K205 HydrophobicContact CB-CG 4.31Å; K203-K205 PolarHBondContact O-N 3.37Å
204	N	96.2	Very high	96.9	Very high	159 Å²	159	81.8 Å²	81.8	85%	0.85	39%	0.388	S	S	*	.	T	Hydrogen-bonded Turn	trans	51.4	40.2	-174.9	-60.9	-29.7	0	0	0	113	K200 E201	K200-N204 PolarHBondContact O-N 3.41Å; E201-N204 WeakPolarHBondContact O-CA 3.42Å; E201-N204 PolarHBondContact O-N 2.87Å; E201-N204 PolarHBondContact O-OD1 2.83Å
205	K	96.7	Very high	96.9	Very high	124 Å²	124	82.8 Å²	82.8	54%	0.539	39%	0.393	S	S	.	.			trans	-110.9	139.1	177	-65.2	-170.5	178.7	-167.3	0	110.4	K200 K203	K200-K205 CarbonylContact C-O 3.5Å; K200-K205 HydrophobicContact CB-CB 4.27Å; K200-K205 HydrophobicContact CD-CB 4.03Å; K200-K205 PolarHBondContact O-N 2.88Å; K203-K205 HydrophobicContact CB-CG 4.31Å; K203-K205 PolarHBondContact O-N 3.37Å
206	T	95	Very high	96.9	Very high	142 Å²	142	81.9 Å²	81.9	87%	0.871	39%	0.39	S	S	*	.			trans	-70.7	153.3	172.5	56.5	0	0	0	0	111.2
207	Y	96.9	Very high	96.7	Very high	70 Å²	70	83.4 Å²	83.4	28%	0.275	41%	0.414	S	S	.	.			trans	-146.2	142.7	174.9	-157	-125.7	0	0	0	109.2	Y193 V196 L197 K200 L213	Y193-Y207 HydrophobicContact CD2-CD1 4.23Å; Y193-Y207 AromaticContact CD2-CE1 3.7Å; Y193-Y207 HydrophobicContact CD2-CE1 3.7Å; Y193-Y207 AromaticContact CE2-CD1 3.65Å; Y193-Y207 HydrophobicContact CE2-CD1 3.65Å; Y193-Y207 AromaticContact CE2-CE1 3.57Å; Y193-Y207 HydrophobicContact CE2-CE1 3.57Å; V196-Y207 HydrophobicContact CB-CE1 4.22Å; V196-Y207 HydrophobicContact CG1-CD1 4.46Å; V196-Y207 HydrophobicContact CG1-CE1 3.73Å; V196-Y207 HydrophobicContact CG1-CE2 4.04Å; L197-Y207 HydrophobicContact CB-CD1 4.33Å; L197-Y207 HydrophobicContact CD1-CD1 4.25Å; K200-Y207 HydrophobicContact CD-CD2 4.39Å; K200-Y207 HydrophobicContact CG-CD2 4.05Å; K200-Y207 HydrophobicContact CG-CG 4.18Å; Y207-L213 HydrophobicContact CD1-CD1 4.3Å; Y207-L213 HydrophobicContact CE1-CD1 3.59Å; Y207-L213 HydrophobicContact CE2-CD1 4.4Å
208	H	97.1	Very high	96.6	Very high	104 Å²	104	89.3 Å²	89.3	48%	0.481	45%	0.446	S	S	.	.			trans	-71.6	153.5	-179.9	-64.9	-49	0	0	0	111.2	Y193 K212 L213	Y193-H208 VanDerWaalsContact CE2-O 3.23Å; Y193-H208 WeakPolarHBondContact CE2-O 3.47Å; Y193-H208 PolarHBondContact OH-O 3.39Å; Y193-H208 VanDerWaalsContact OH-O 3.07Å; H208-K212 HydrophobicContact CB-CB 4.3Å; H208-K212 HydrophobicContact CB-CD 4.25Å; H208-K212 HydrophobicContact CB-CG 4.36Å; H208-L213 HydrophobicContact CB-CD2 4.01Å; H208-L213 HydrophobicContact CB-CG 4.06Å
209	K	97.6	Very high	96.6	Very high	158 Å²	158	90.1 Å²	90.1	69%	0.687	46%	0.456	S	S	*	.			trans	-55.9	155	170.3	-65.4	-169	175.1	-173.4	0	111.4	Y193 E211 K212 L213	Y193-K209 WeakPolarHBondContact OH-CA 3.42Å; K209-E211 VanDerWaalsContact C-N 3.29Å; K209-E211 WeakPolarHBondContact CB-OE2 3.4Å; K209-E211 PolarHBondContact O-N 3.12Å; K209-K212 PolarHBondContact O-N 3.24Å; K209-L213 PolarHBondContact O-N 3.12Å
210	F	98.3	Very high	96.5	Very high	3 Å²	3	92.6 Å²	92.6	1%	0.013	47%	0.468	C	S	.	.	H	α-helix	trans	-57.4	-42.3	-176.8	177.2	-104.2	0	0	0	112.2	A189 V190 Y193 K212 L213 A214 Y226 V316 V320 L324	A189-F210 HydrophobicContact CB-CE2 4.33Å; A189-F210 HydrophobicContact CB-CZ 4.22Å; V190-F210 HydrophobicContact CG2-CD1 4.34Å; V190-F210 HydrophobicContact CG2-CE1 3.9Å; V190-F210 HydrophobicContact CG2-CE2 4.2Å; V190-F210 HydrophobicContact CG2-CZ 3.82Å; Y193-F210 HydrophobicContact CD1-CB 3.97Å; Y193-F210 HydrophobicContact CD1-CD2 4.17Å; Y193-F210 HydrophobicContact CD1-CG 4.48Å; Y193-F210 HydrophobicContact CD2-CB 4.17Å; Y193-F210 HydrophobicContact CD2-CD2 4.01Å; Y193-F210 HydrophobicContact CE1-CB 4.01Å; Y193-F210 HydrophobicContact CE2-CB 4.19Å; Y193-F210 HydrophobicContact CG-CB 4.06Å; Y193-F210 AromaticContact CG-CD2 3.64Å; Y193-F210 HydrophobicContact CG-CD2 3.64Å; Y193-F210 HydrophobicContact CG-CG 4.31Å; F210-K212 PolarHBondContact O-N 2.76Å; F210-L213 PolarHBondContact O-N 3.06Å; F210-A214 HydrophobicContact CD1-CB 4.19Å; F210-A214 HydrophobicContact CD2-CB 4.5Å; F210-A214 HydrophobicContact CE1-CB 3.82Å; F210-A214 HydrophobicContact CE2-CB 4.16Å; F210-A214 HydrophobicContact CZ-CB 3.81Å; F210-A214 VanDerWaalsContact O-CB 3.3Å; F210-A214 WeakPolarHBondContact O-CB 3.37Å; F210-A214 PolarHBondContact O-N 3.03Å; F210-Y226 HydrophobicContact CD2-CE1 4.25Å; F210-Y226 HydrophobicContact CE2-CE1 4Å; F210-V316 HydrophobicContact CB-CG2 4.41Å; F210-V316 HydrophobicContact CD1-CB 4.44Å; F210-V316 HydrophobicContact CD1-CG1 3.64Å; F210-V316 HydrophobicContact CD1-CG2 3.84Å; F210-V316 HydrophobicContact CE1-CG1 4.04Å; F210-V316 HydrophobicContact CE1-CG2 4.48Å; F210-V316 HydrophobicContact CG-CG2 4.33Å; F210-V320 HydrophobicContact CE1-CG1 4.47Å; F210-L324 HydrophobicContact CE1-CD1 3.52Å; F210-L324 HydrophobicContact CZ-CD1 3.77Å
211	E	98.1	Very high	96.6	Very high	45 Å²	45	94 Å²	94	21%	0.21	48%	0.476	C	S	.	.	H	α-helix	trans	-57.7	-47	-179.2	-60.4	82.4	177.4	0	0	111.3	K209 L213 A214 I215 V316 D317 V320	K209-E211 VanDerWaalsContact C-N 3.29Å; K209-E211 WeakPolarHBondContact CB-OE2 3.4Å; K209-E211 PolarHBondContact O-N 3.12Å; E211-L213 PolarHBondContact O-N 3.06Å; E211-A214 PolarHBondContact O-N 2.85Å; E211-I215 WeakPolarHBondContact O-CB 3.48Å; E211-I215 PolarHBondContact O-N 2.88Å; E211-V316 HydrophobicContact CG-CG1 4.5Å; E211-V316 WeakPolarHBondContact OE1-CA 3.4Å; E211-D317 HydrophobicContact CG-CB 4.18Å; E211-D317 PolarHBondContact OE1-N 2.92Å; E211-D317 VanDerWaalsContact OE1-N 3.1Å; E211-V320 HydrophobicContact CB-CG2 4.22Å; E211-V320 HydrophobicContact CG-CB 4.27Å; E211-V320 HydrophobicContact CG-CG1 4.3Å; E211-V320 HydrophobicContact CG-CG2 3.79Å
212	K	97.6	Very high	96.7	Very high	146 Å²	146	89.7 Å²	89.7	64%	0.635	46%	0.456	S	S	*	.	H	α-helix	trans	-65.2	-21.8	179.3	-174.4	167.6	-177.6	171.3	0	113.1	H208 K209 F210	H208-K212 HydrophobicContact CB-CB 4.3Å; H208-K212 HydrophobicContact CB-CD 4.25Å; H208-K212 HydrophobicContact CB-CG 4.36Å; K209-K212 PolarHBondContact O-N 3.24Å; F210-K212 PolarHBondContact O-N 2.76Å
213	L	98.1	Very high	96.9	Very high	28 Å²	28	82.4 Å²	82.4	15%	0.147	43%	0.432	C	S	.	.	H	α-helix	trans	-92.3	-39.6	176.7	-62	174.7	0	0	0	111.8	Y193 Y207 H208 K209 F210 E211 N223 Y226	Y193-L213 HydrophobicContact CD2-CD1 3.89Å; Y193-L213 HydrophobicContact CE2-CD1 3.81Å; Y207-L213 HydrophobicContact CD1-CD1 4.3Å; Y207-L213 HydrophobicContact CE1-CD1 3.59Å; Y207-L213 HydrophobicContact CE2-CD1 4.4Å; H208-L213 HydrophobicContact CB-CD2 4.01Å; H208-L213 HydrophobicContact CB-CG 4.06Å; K209-L213 PolarHBondContact O-N 3.12Å; F210-L213 PolarHBondContact O-N 3.06Å; E211-L213 PolarHBondContact O-N 3.06Å; L213-N223 PolarHBondContact O-ND2 3.2Å; L213-Y226 HydrophobicContact CB-CD1 4.06Å; L213-Y226 HydrophobicContact CB-CD2 4.29Å; L213-Y226 HydrophobicContact CB-CE1 3.87Å; L213-Y226 HydrophobicContact CB-CE2 4.16Å; L213-Y226 HydrophobicContact CB-CG 4.28Å; L213-Y226 HydrophobicContact CD1-CE2 4.26Å; L213-Y226 WeakPolarHBondContact O-CB 3.31Å
214	A	98.1	Very high	96.9	Very high	0 Å²	0	79.7 Å²	79.7	0%	0	43%	0.426	C	S	.	.	H	α-helix	trans	-85	-20.5	-173.5	0	0	0	0	0	113.7	F210 E211 N223 Y226 V229 L324	F210-A214 HydrophobicContact CD1-CB 4.19Å; F210-A214 HydrophobicContact CD2-CB 4.5Å; F210-A214 HydrophobicContact CE1-CB 3.82Å; F210-A214 HydrophobicContact CE2-CB 4.16Å; F210-A214 HydrophobicContact CZ-CB 3.81Å; F210-A214 VanDerWaalsContact O-CB 3.3Å; F210-A214 WeakPolarHBondContact O-CB 3.37Å; F210-A214 PolarHBondContact O-N 3.03Å; E211-A214 PolarHBondContact O-N 2.85Å; A214-N223 WeakPolarHBondContact O-CB 3.37Å; A214-N223 PolarHBondContact O-N 2.64Å; A214-Y226 HydrophobicContact CB-CD1 4.21Å; A214-Y226 HydrophobicContact CB-CE1 4.49Å; A214-V229 HydrophobicContact CB-CG2 4.27Å; A214-L324 HydrophobicContact CB-CD1 4.42Å
215	I	98.3	Very high	97	Very high	27 Å²	27	79.9 Å²	79.9	14%	0.138	42%	0.419	C	S	.	.	B	Isolated β-bridge	trans	-115.6	135.8	177.4	-55.9	-58.6	0	0	0	109.3	E211 C220 E221 V222 V320 K323	E211-I215 WeakPolarHBondContact O-CB 3.48Å; E211-I215 PolarHBondContact O-N 2.88Å; I215-C220 WeakPolarHBondContact CG2-O 3.28Å; I215-E221 CarbonylContact C-O 3.59Å; I215-E221 WeakPolarHBondContact CA-O 3.39Å; I215-V222 HydrophobicContact CD1-CG2 4.27Å; I215-V320 HydrophobicContact CD1-CG1 4.14Å; I215-V320 HydrophobicContact CG1-CG1 3.93Å; I215-V320 HydrophobicContact CG1-CG2 4.09Å; I215-K323 HydrophobicContact CD1-CD 3.96Å; I215-K323 HydrophobicContact CD1-CG 4.34Å
216	D	96.8	Very high	97	Very high	47 Å²	47	75.2 Å²	75.2	25%	0.251	40%	0.399	S	S	.	.			trans	-75.4	127	173	-174.4	-74.4	0	0	0	109.8	N218 T219 C220 E221	D216-N218 VanDerWaalsContact C-N 3.26Å; D216-N218 PolarHBondContact O-N 3.33Å; D216-N218 WeakPolarHBondContact OD1-CB 3.31Å; D216-N218 PolarHBondContact OD1-N 3.14Å; D216-T219 WeakPolarHBondContact CB-OG1 3.32Å; D216-T219 PolarHBondContact OD1-N 2.91Å; D216-T219 VanDerWaalsContact OD1-N 3.11Å; D216-C220 WeakPolarHBondContact O-CA 3.35Å; D216-C220 PolarHBondContact O-N 3.48Å; D216-E221 PolarHBondContact N-O 3.49Å
217	G	93.6	Very high	97.2	Very high	72 Å²	72	76 Å²	76	74%	0.742	39%	0.39	S	S	*	.	T	Hydrogen-bonded Turn	trans	-70.7	-18.1	-174.2	0	0	0	0	0	114.8
218	N	94.7	Very high	97.2	Very high	157 Å²	157	72.8 Å²	72.8	84%	0.84	38%	0.378	S	S	*	.	T	Hydrogen-bonded Turn	trans	-93.3	-41.2	-178.6	-62.8	-26.5	0	0	0	111.4	D216	D216-N218 VanDerWaalsContact C-N 3.26Å; D216-N218 PolarHBondContact O-N 3.33Å; D216-N218 WeakPolarHBondContact OD1-CB 3.31Å; D216-N218 PolarHBondContact OD1-N 3.14Å
219	T	95.8	Very high	97.3	Very high	87 Å²	87	67.9 Å²	67.9	53%	0.534	36%	0.355	S	S	.	.	T	Hydrogen-bonded Turn	trans	-95.4	-13.1	-177.3	66.3	0	0	0	0	113.1	D216 E221	D216-T219 WeakPolarHBondContact CB-OG1 3.32Å; D216-T219 PolarHBondContact OD1-N 2.91Å; D216-T219 VanDerWaalsContact OD1-N 3.11Å; T219-E221 PolarHBondContact O-N 3.18Å; T219-E221 VanDerWaalsContact O-N 3.11Å; T219-E221 WeakPolarHBondContact OG1-CB 3.44Å; T219-E221 PolarHBondContact OG1-N 3.12Å
220	C	95.1	Very high	97.3	Very high	77 Å²	77	65.1 Å²	65.1	52%	0.52	34%	0.34	S	S	.	.			trans	58.7	10.6	-168.2	-62.2	0	0	0	0	113.7	I215 D216 K323	I215-C220 WeakPolarHBondContact CG2-O 3.28Å; D216-C220 WeakPolarHBondContact O-CA 3.35Å; D216-C220 PolarHBondContact O-N 3.48Å; C220-K323 WeakPolarHBondContact O-CD 3.44Å; C220-K323 PolarHBondContact O-NZ 3.06Å
221	E	97.4	Very high	97.3	Very high	105 Å²	105	65.4 Å²	65.4	49%	0.491	34%	0.342	S	S	.	.	S	Bend	trans	-94.9	168.2	-178	-70	-55.8	123.4	0	0	113.2	I215 D216 T219 N223 K323	I215-E221 CarbonylContact C-O 3.59Å; I215-E221 WeakPolarHBondContact CA-O 3.39Å; D216-E221 PolarHBondContact N-O 3.49Å; T219-E221 PolarHBondContact O-N 3.18Å; T219-E221 VanDerWaalsContact O-N 3.11Å; T219-E221 WeakPolarHBondContact OG1-CB 3.44Å; T219-E221 PolarHBondContact OG1-N 3.12Å; E221-N223 PolarHBondContact O-N 3.39Å; E221-K323 IonicContact OE1-NZ 2.78Å; E221-K323 PolarHBondContact OE1-NZ 2.93Å; E221-K323 IonicContact OE2-NZ 3.89Å
222	V	98.3	Very high	97.4	Very high	15 Å²	15	63.2 Å²	63.2	9%	0.091	33%	0.332	C	S	.	.	B	Isolated β-bridge	trans	-61.1	123.5	179.4	175.6	0	0	0	0	111.3	I215 T224 V229 K323 L324 F327	I215-V222 HydrophobicContact CD1-CG2 4.27Å; V222-T224 PolarHBondContact O-N 2.94Å; V222-T224 VanDerWaalsContact O-N 3.08Å; V222-V229 HydrophobicContact CG1-CG1 3.58Å; V222-V229 HydrophobicContact CG1-CG2 4.27Å; V222-K323 HydrophobicContact CG2-CD 4.47Å; V222-K323 HydrophobicContact CG2-CG 3.83Å; V222-L324 HydrophobicContact CB-CD2 4.46Å; V222-L324 HydrophobicContact CG1-CD2 3.72Å; V222-L324 HydrophobicContact CG2-CD2 3.88Å; V222-L324 HydrophobicContact CG2-CG 4.48Å; V222-F327 HydrophobicContact CB-CB 4.21Å; V222-F327 HydrophobicContact CB-CD1 4.3Å; V222-F327 HydrophobicContact CB-CD2 3.87Å; V222-F327 HydrophobicContact CB-CE2 4.35Å; V222-F327 HydrophobicContact CB-CG 3.85Å; V222-F327 HydrophobicContact CG1-CB 4.48Å; V222-F327 HydrophobicContact CG1-CD1 3.74Å; V222-F327 HydrophobicContact CG1-CD2 4.07Å; V222-F327 HydrophobicContact CG1-CE1 3.94Å; V222-F327 HydrophobicContact CG1-CE2 4.26Å; V222-F327 HydrophobicContact CG1-CG 3.82Å; V222-F327 HydrophobicContact CG1-CZ 4.2Å; V222-F327 HydrophobicContact CG2-CB 3.64Å; V222-F327 HydrophobicContact CG2-CD1 4.42Å; V222-F327 HydrophobicContact CG2-CD2 4.23Å; V222-F327 HydrophobicContact CG2-CG 3.84Å
223	N	98.3	Very high	97.4	Very high	35 Å²	35	56.9 Å²	56.9	19%	0.187	31%	0.305	C	S	.	.			trans	-77.8	93	178.8	-177.9	1.7	0	0	0	111.5	L213 A214 E221 K225 Y226	L213-N223 PolarHBondContact O-ND2 3.2Å; A214-N223 WeakPolarHBondContact O-CB 3.37Å; A214-N223 PolarHBondContact O-N 2.64Å; E221-N223 PolarHBondContact O-N 3.39Å; N223-K225 PolarHBondContact O-N 2.67Å; N223-K225 VanDerWaalsContact OD1-CB 3.28Å; N223-K225 WeakPolarHBondContact OD1-CB 3.49Å; N223-K225 PolarHBondContact OD1-N 3.45Å; N223-Y226 WeakPolarHBondContact O-CB 3.15Å; N223-Y226 PolarHBondContact O-N 2.64Å; N223-Y226 VanDerWaalsContact O-N 3.12Å; N223-Y226 PolarHBondContact OD1-N 2.82Å
224	T	97.3	Very high	97.5	Very high	72 Å²	72	55.6 Å²	55.6	44%	0.442	30%	0.298	S	S	.	.	T	Hydrogen-bonded Turn	trans	-67.9	-16.2	178	62.8	0	0	0	0	114.1	V222 Y226 F327	V222-T224 PolarHBondContact O-N 2.94Å; V222-T224 VanDerWaalsContact O-N 3.08Å; T224-Y226 VanDerWaalsContact C-N 3.29Å; T224-F327 HydrophobicContact CG2-CE2 3.79Å; T224-F327 HydrophobicContact CG2-CZ 3.62Å
225	K	97.2	Very high	97.5	Very high	163 Å²	163	55.8 Å²	55.8	71%	0.709	30%	0.299	S	S	*	.	T	Hydrogen-bonded Turn	trans	-72.7	-25.9	173.8	-58.3	175.9	-178.8	170.9	0	110.9	N223 K227 R230	N223-K225 PolarHBondContact O-N 2.67Å; N223-K225 VanDerWaalsContact OD1-CB 3.28Å; N223-K225 WeakPolarHBondContact OD1-CB 3.49Å; N223-K225 PolarHBondContact OD1-N 3.45Å; K225-K227 PolarHBondContact O-N 3.27Å; K225-R230 PolarHBondContact O-NH2 3.2Å
226	Y	98.3	Very high	97.4	Very high	27 Å²	27	59.7 Å²	59.7	11%	0.106	32%	0.315	C	S	.	.	S	Bend	trans	-65.3	123	177.5	-178.4	-144.4	0	0	0	111.2	F210 L213 A214 N223 T224 A228 V229 R230	F210-Y226 HydrophobicContact CD2-CE1 4.25Å; F210-Y226 HydrophobicContact CE2-CE1 4Å; L213-Y226 HydrophobicContact CB-CD1 4.06Å; L213-Y226 HydrophobicContact CB-CD2 4.29Å; L213-Y226 HydrophobicContact CB-CE1 3.87Å; L213-Y226 HydrophobicContact CB-CE2 4.16Å; L213-Y226 HydrophobicContact CB-CG 4.28Å; L213-Y226 HydrophobicContact CD1-CE2 4.26Å; L213-Y226 WeakPolarHBondContact O-CB 3.31Å; A214-Y226 HydrophobicContact CB-CD1 4.21Å; A214-Y226 HydrophobicContact CB-CE1 4.49Å; N223-Y226 WeakPolarHBondContact O-CB 3.15Å; N223-Y226 PolarHBondContact O-N 2.64Å; N223-Y226 VanDerWaalsContact O-N 3.12Å; N223-Y226 PolarHBondContact OD1-N 2.82Å; T224-Y226 VanDerWaalsContact C-N 3.29Å; Y226-A228 HydrophobicContact CD1-CB 4.03Å; Y226-A228 HydrophobicContact CE1-CB 3.51Å; Y226-A228 HydrophobicContact CE2-CB 4.15Å; Y226-A228 PolarHBondContact O-N 3.25Å; Y226-A228 VanDerWaalsContact O-N 3.17Å; Y226-V229 HydrophobicContact CD1-CG2 3.93Å; Y226-V229 PolarHBondContact O-N 2.89Å; Y226-R230 PolarHBondContact O-N 3.42Å
227	K	97.6	Very high	97.5	Very high	159 Å²	159	57.9 Å²	57.9	69%	0.691	31%	0.305	S	S	*	.	H	α-helix	trans	-56.9	-35.8	-173.3	-68.5	-174	178.9	-174.8	0	112.9	K225 R230 T231	K225-K227 PolarHBondContact O-N 3.27Å; K227-R230 PolarHBondContact O-N 2.97Å; K227-T231 VanDerWaalsContact O-CB 3.31Å; K227-T231 WeakPolarHBondContact O-CB 3.32Å; K227-T231 PolarHBondContact O-N 3.1Å; K227-T231 PolarHBondContact O-OG1 3.37Å
228	A	98.3	Very high	97.8	Very high	2 Å²	2	54.5 Å²	54.5	2%	0.017	27%	0.27	C	S	.	.	H	α-helix	trans	-68.5	-39.4	179.3	0	0	0	0	0	111.8	R188 A189 D192 Y226 S232	R188-A228 VanDerWaalsContact NH2-CA 3.35Å; R188-A228 PolarHBondContact NH2-O 2.93Å; A189-A228 HydrophobicContact CB-CB 4.23Å; D192-A228 HydrophobicContact CB-CB 4.04Å; Y226-A228 HydrophobicContact CD1-CB 4.03Å; Y226-A228 HydrophobicContact CE1-CB 3.51Å; Y226-A228 HydrophobicContact CE2-CB 4.15Å; Y226-A228 PolarHBondContact O-N 3.25Å; Y226-A228 VanDerWaalsContact O-N 3.17Å; A228-S232 PolarHBondContact O-N 3.35Å; A228-S232 PolarHBondContact O-OG 3.3Å
229	V	98.7	Very high	98	Very high	0 Å²	0	50.6 Å²	50.6	0%	0	25%	0.247	C	C	.	.	H	α-helix	trans	-65.8	-50.2	173.6	170.6	0	0	0	0	110.1	A214 V222 Y226 T231 S232 L324 F327 F328	A214-V229 HydrophobicContact CB-CG2 4.27Å; V222-V229 HydrophobicContact CG1-CG1 3.58Å; V222-V229 HydrophobicContact CG1-CG2 4.27Å; Y226-V229 HydrophobicContact CD1-CG2 3.93Å; Y226-V229 PolarHBondContact O-N 2.89Å; V229-T231 VanDerWaalsContact C-N 3.34Å; V229-T231 PolarHBondContact O-N 3.46Å; V229-S232 WeakPolarHBondContact O-CB 3.4Å; V229-S232 PolarHBondContact O-N 2.76Å; V229-L324 HydrophobicContact CG2-CD2 4.09Å; V229-F327 HydrophobicContact CG1-CE1 3.84Å; V229-F327 HydrophobicContact CG1-CZ 4.39Å; V229-F328 HydrophobicContact CG1-CE1 4.31Å; V229-F328 HydrophobicContact CG1-CZ 4.1Å
230	R	98.4	Very high	98.1	Very high	100 Å²	100	48.5 Å²	48.5	38%	0.377	23%	0.229	S	C	.	.	H	α-helix	trans	-56.8	-45.2	-178	-162.3	-169.1	-41	-177.1	8.7	113	K225 Y226 K227 S232 I233 H237	K225-R230 PolarHBondContact O-NH2 3.2Å; Y226-R230 PolarHBondContact O-N 3.42Å; K227-R230 PolarHBondContact O-N 2.97Å; R230-S232 PolarHBondContact O-N 3.44Å; R230-I233 WeakPolarHBondContact O-CB 3.36Å; R230-I233 PolarHBondContact O-N 3.14Å; R230-I233 VanDerWaalsContact O-N 3.09Å; R230-H237 PolarHBondContact O-NE2 3.33Å
231	T	98.5	Very high	98.3	Very high	9 Å²	9	44.8 Å²	44.8	6%	0.055	20%	0.204	C	C	.	.	H	α-helix	trans	-62.4	-28.1	179.1	-58.1	0	0	0	0	112.3	I161 K227 V229 I233	I161-T231 HydrophobicContact CG2-CG2 3.9Å; K227-T231 VanDerWaalsContact O-CB 3.31Å; K227-T231 WeakPolarHBondContact O-CB 3.32Å; K227-T231 PolarHBondContact O-N 3.1Å; K227-T231 PolarHBondContact O-OG1 3.37Å; V229-T231 VanDerWaalsContact C-N 3.34Å; V229-T231 PolarHBondContact O-N 3.46Å; T231-I233 VanDerWaalsContact C-N 3.27Å; T231-I233 PolarHBondContact O-N 3.03Å
232	S	98.8	Very high	98.3	Very high	0 Å²	0	42.5 Å²	42.5	0%	0	20%	0.195	C	C	.	.	T	Hydrogen-bonded Turn	trans	-78	-7.6	178	-68.3	0	0	0	0	113.6	P185 R188 A228 V229 R230 Y234	P185-S232 WeakPolarHBondContact O-CB 3.44Å; P185-S232 PolarHBondContact O-OG 3.36Å; R188-S232 PolarHBondContact NE-OG 3.33Å; A228-S232 PolarHBondContact O-N 3.35Å; A228-S232 PolarHBondContact O-OG 3.3Å; V229-S232 WeakPolarHBondContact O-CB 3.4Å; V229-S232 PolarHBondContact O-N 2.76Å; R230-S232 PolarHBondContact O-N 3.44Å; S232-Y234 PolarHBondContact O-N 3.09Å
233	I	98.6	Very high	98.4	Very high	12 Å²	12	49.7 Å²	49.7	6%	0.062	23%	0.225	C	C	.	.			trans	-83	70.6	174.7	-50.7	175.4	0	0	0	108.7	R230 T231 T235 K236 H237 F327 F328 F331	R230-I233 WeakPolarHBondContact O-CB 3.36Å; R230-I233 PolarHBondContact O-N 3.14Å; R230-I233 VanDerWaalsContact O-N 3.09Å; T231-I233 VanDerWaalsContact C-N 3.27Å; T231-I233 PolarHBondContact O-N 3.03Å; I233-T235 VanDerWaalsContact C-N 3.3Å; I233-T235 PolarHBondContact O-N 2.96Å; I233-K236 HydrophobicContact CB-CB 4.4Å; I233-K236 HydrophobicContact CG2-CB 3.82Å; I233-K236 PolarHBondContact O-N 3.42Å; I233-K236 VanDerWaalsContact O-N 3.12Å; I233-H237 PolarHBondContact O-CD2 3.38Å; I233-F327 HydrophobicContact CD1-CE1 4.18Å; I233-F327 HydrophobicContact CD1-CZ 3.98Å; I233-F327 HydrophobicContact CG1-CE1 4.3Å; I233-F328 HydrophobicContact CG1-CE1 4.13Å; I233-F331 HydrophobicContact CG2-CB 4.18Å; I233-F331 HydrophobicContact CG2-CD1 3.58Å; I233-F331 HydrophobicContact CG2-CD2 4.24Å; I233-F331 HydrophobicContact CG2-CE1 3.95Å; I233-F331 HydrophobicContact CG2-CG 3.74Å; I233-F331 HydrophobicContact CG2-CZ 4.43Å
234	Y	98.8	Very high	98.4	Very high	2 Å²	2	51.9 Å²	51.9	1%	0.008	23%	0.231	C	C	.	.	H	α-helix	trans	-56	-41.6	-169.4	-55	-38.6	0	0	0	113.5	V98 F160 V182 R183 P185 R188 S232 K236 H237 L238 W345	V98-Y234 HydrophobicContact CB-CE1 4.36Å; V98-Y234 HydrophobicContact CG1-CD1 4.08Å; V98-Y234 HydrophobicContact CG1-CE1 4.1Å; V98-Y234 HydrophobicContact CG2-CE1 3.82Å; F160-Y234 HydrophobicContact CE1-CD1 4.31Å; V182-Y234 HydrophobicContact CB-CD2 4.19Å; V182-Y234 HydrophobicContact CB-CE2 3.85Å; V182-Y234 HydrophobicContact CG1-CD1 4.34Å; V182-Y234 HydrophobicContact CG1-CD2 3.91Å; V182-Y234 HydrophobicContact CG1-CE1 4.41Å; V182-Y234 HydrophobicContact CG1-CE2 3.98Å; V182-Y234 HydrophobicContact CG1-CG 4.1Å; R183-Y234 WeakPolarHBondContact O-CE2 3.42Å; R183-Y234 PolarHBondContact O-OH 3.08Å; P185-Y234 HydrophobicContact CG-CE2 3.96Å; R188-Y234 WeakPolarHBondContact CD-OH 3.48Å; S232-Y234 PolarHBondContact O-N 3.09Å; Y234-K236 VanDerWaalsContact C-N 3.32Å; Y234-K236 PolarHBondContact O-N 3.23Å; Y234-H237 PolarHBondContact O-N 3.44Å; Y234-H237 VanDerWaalsContact O-N 3.07Å; Y234-L238 PolarHBondContact O-N 2.87Å; Y234-W345 AromaticContact CD2-CH2 3.64Å; Y234-W345 HydrophobicContact CD2-CH2 3.64Å; Y234-W345 AromaticContact CD2-CZ3 3.79Å; Y234-W345 HydrophobicContact CD2-CZ3 3.79Å; Y234-W345 AromaticContact CE2-CH2 3.46Å; Y234-W345 HydrophobicContact CE2-CH2 3.46Å; Y234-W345 VanDerWaalsContact CE2-CH2 3.46Å; Y234-W345 HydrophobicContact CE2-CZ2 4.16Å; Y234-W345 AromaticContact CE2-CZ3 3.78Å; Y234-W345 HydrophobicContact CE2-CZ3 3.78Å
235	T	98.3	Very high	98.5	Very high	4 Å²	4	48.5 Å²	48.5	3%	0.025	21%	0.21	C	C	.	.	H	α-helix	trans	-51.5	-47.4	176.6	-71	0	0	0	0	112.7	I233 H237 L238 E239 F331 K334 F335 I338	I233-T235 VanDerWaalsContact C-N 3.3Å; I233-T235 PolarHBondContact O-N 2.96Å; T235-H237 PolarHBondContact O-N 2.88Å; T235-L238 PolarHBondContact O-N 2.76Å; T235-E239 HydrophobicContact CG2-CG 4.34Å; T235-E239 WeakPolarHBondContact O-CG 3.35Å; T235-E239 PolarHBondContact O-N 3.19Å; T235-F331 PolarHBondContact OG1-O 2.97Å; T235-K334 HydrophobicContact CG2-CB 4.2Å; T235-K334 HydrophobicContact CG2-CD 3.69Å; T235-K334 HydrophobicContact CG2-CG 3.69Å; T235-F335 VanDerWaalsContact OG1-CA 3.27Å; T235-F335 WeakPolarHBondContact OG1-CA 3.36Å; T235-F335 VanDerWaalsContact OG1-CB 3.29Å; T235-F335 WeakPolarHBondContact OG1-CB 3.43Å; T235-F335 PolarHBondContact OG1-N 3.05Å; T235-F335 VanDerWaalsContact OG1-N 3.08Å; T235-I338 HydrophobicContact CG2-CD1 4.01Å
236	K	97.8	Very high	98.5	Very high	109 Å²	109	43.7 Å²	43.7	47%	0.474	20%	0.196	S	C	.	.	H	α-helix	trans	-60.1	-34.1	-178.7	175.3	174.7	179	170.1	0	112.2	I233 Y234 R240	I233-K236 HydrophobicContact CB-CB 4.4Å; I233-K236 HydrophobicContact CG2-CB 3.82Å; I233-K236 PolarHBondContact O-N 3.42Å; I233-K236 VanDerWaalsContact O-N 3.12Å; Y234-K236 VanDerWaalsContact C-N 3.32Å; Y234-K236 PolarHBondContact O-N 3.23Å; K236-R240 PolarHBondContact O-NH1 3.09Å
237	H	98.7	Very high	98.5	Very high	8 Å²	8	45 Å²	45	4%	0.037	21%	0.206	C	C	.	.	H	α-helix	trans	-78.2	-50.2	177.9	-64.2	-65.5	0	0	0	110.2	F160 R230 I233 Y234 T235 E239 R240 W241	F160-H237 HydrophobicContact CD1-CB 3.78Å; F160-H237 HydrophobicContact CD2-CB 4.46Å; F160-H237 HydrophobicContact CE1-CB 3.3Å; F160-H237 AromaticContact CE1-CD2 3.99Å; F160-H237 AromaticContact CE1-CG 3.84Å; F160-H237 HydrophobicContact CE2-CB 4.03Å; F160-H237 HydrophobicContact CG-CB 4.36Å; F160-H237 HydrophobicContact CZ-CB 3.44Å; F160-H237 VanDerWaalsContact CZ-CB 3.44Å; R230-H237 PolarHBondContact O-NE2 3.33Å; I233-H237 PolarHBondContact O-CD2 3.38Å; Y234-H237 PolarHBondContact O-N 3.44Å; Y234-H237 VanDerWaalsContact O-N 3.07Å; T235-H237 PolarHBondContact O-N 2.88Å; H237-E239 VanDerWaalsContact C-N 3.29Å; H237-E239 PolarHBondContact O-N 3.33Å; H237-R240 PolarHBondContact ND1-NH1 3.35Å; H237-R240 VanDerWaalsContact ND1-NH1 3.15Å; H237-R240 PolarHBondContact ND1-NH2 2.84Å; H237-R240 WeakPolarHBondContact O-CB 3.44Å; H237-R240 PolarHBondContact O-N 2.77Å; H237-W241 VanDerWaalsContact O-CD1 3.29Å; H237-W241 PolarHBondContact O-N 3.47Å
238	L	98.8	Very high	98.5	Very high	1 Å²	1	44.3 Å²	44.3	1%	0.005	21%	0.206	C	C	.	.	H	α-helix	trans	-56.3	-41.1	-179.8	-177	59.4	0	0	0	112.5	I180 Y234 T235 R240 W241 L242 F250 F335 I338 T339	I180-L238 HydrophobicContact CD1-CD1 4.02Å; Y234-L238 PolarHBondContact O-N 2.87Å; T235-L238 PolarHBondContact O-N 2.76Å; L238-R240 PolarHBondContact O-N 2.95Å; L238-W241 WeakPolarHBondContact O-CA 3.42Å; L238-W241 WeakPolarHBondContact O-CB 3.45Å; L238-W241 PolarHBondContact O-N 3.18Å; L238-L242 HydrophobicContact CD1-CD1 4.47Å; L238-L242 HydrophobicContact CD1-CG 4.22Å; L238-L242 HydrophobicContact CD2-CD1 4.5Å; L238-L242 HydrophobicContact CG-CD1 3.93Å; L238-L242 HydrophobicContact CG-CG 4.18Å; L238-L242 WeakPolarHBondContact O-CG 3.45Å; L238-L242 PolarHBondContact O-N 2.91Å; L238-F250 HydrophobicContact CD1-CD1 4.38Å; L238-F250 HydrophobicContact CD1-CE1 4.46Å; L238-F335 HydrophobicContact CB-CE2 4.46Å; L238-F335 HydrophobicContact CD2-CD2 3.98Å; L238-F335 HydrophobicContact CD2-CE2 3.71Å; L238-I338 HydrophobicContact CD2-CB 4.38Å; L238-I338 HydrophobicContact CD2-CG2 3.56Å; L238-I338 HydrophobicContact CG-CG2 4.26Å; L238-T339 HydrophobicContact CD2-CG2 3.6Å
239	E	98.6	Very high	98.6	Very high	75 Å²	75	45.9 Å²	45.9	35%	0.35	21%	0.213	S	C	.	.	H	α-helix	trans	-56.8	-32	175.9	-75.8	178	157.8	0	0	113.5	T235 H237 K334 I338	T235-E239 HydrophobicContact CG2-CG 4.34Å; T235-E239 WeakPolarHBondContact O-CG 3.35Å; T235-E239 PolarHBondContact O-N 3.19Å; H237-E239 VanDerWaalsContact C-N 3.29Å; H237-E239 PolarHBondContact O-N 3.33Å; E239-K334 WeakPolarHBondContact OE1-CE 3.37Å; E239-K334 IonicContact OE1-NZ 2.67Å; E239-K334 PolarHBondContact OE1-NZ 3.4Å; E239-I338 HydrophobicContact CG-CD1 4.35Å
240	R	98.5	Very high	98.6	Very high	43 Å²	43	46.7 Å²	46.7	16%	0.162	22%	0.216	C	C	.	.	H	α-helix	trans	-72.6	-37.9	174.9	-61.9	-165.1	-54.5	-87.5	7.2	112	I161 K236 H237 L238 L242 K243	I161-R240 PolarHBondContact O-NH2 2.97Å; K236-R240 PolarHBondContact O-NH1 3.09Å; H237-R240 PolarHBondContact ND1-NH1 3.35Å; H237-R240 VanDerWaalsContact ND1-NH1 3.15Å; H237-R240 PolarHBondContact ND1-NH2 2.84Å; H237-R240 WeakPolarHBondContact O-CB 3.44Å; H237-R240 PolarHBondContact O-N 2.77Å; L238-R240 PolarHBondContact O-N 2.95Å; R240-L242 VanDerWaalsContact C-N 3.34Å; R240-K243 WeakPolarHBondContact O-CB 3.29Å; R240-K243 PolarHBondContact O-N 3.09Å
241	W	98.9	Very high	98.6	Very high	0 Å²	0	43.2 Å²	43.2	0%	0	20%	0.204	C	C	.	.	H	α-helix	trans	-66.8	-37.8	177	-77	87.1	0	0	0	111.8	I96 Y159 F160 V165 P166 I169 L178 H237 L238 K243 Y244 F245 F250	I96-W241 HydrophobicContact CB-CH2 3.8Å; I96-W241 HydrophobicContact CB-CZ2 4Å; I96-W241 HydrophobicContact CD1-CD2 3.72Å; I96-W241 HydrophobicContact CD1-CE3 3.7Å; I96-W241 HydrophobicContact CD1-CH2 3.53Å; I96-W241 HydrophobicContact CD1-CZ2 3.57Å; I96-W241 HydrophobicContact CD1-CZ3 3.61Å; I96-W241 HydrophobicContact CG1-CH2 4.27Å; I96-W241 HydrophobicContact CG1-CZ2 4.32Å; I96-W241 HydrophobicContact CG2-CH2 3.53Å; I96-W241 HydrophobicContact CG2-CZ2 4.24Å; I96-W241 HydrophobicContact CG2-CZ3 4.04Å; Y159-W241 WeakPolarHBondContact O-CZ2 3.44Å; F160-W241 AromaticContact CD2-NE1 3.78Å; F160-W241 PolarHBondContact O-NE1 3.1Å; V165-W241 HydrophobicContact CG1-CH2 3.83Å; V165-W241 HydrophobicContact CG1-CZ2 4.04Å; P166-W241 HydrophobicContact CB-CD2 4.17Å; P166-W241 HydrophobicContact CB-CE3 4.15Å; P166-W241 HydrophobicContact CG-CD2 3.76Å; P166-W241 HydrophobicContact CG-CE3 4.19Å; P166-W241 HydrophobicContact CG-CG 4.03Å; P166-W241 HydrophobicContact CG-CZ2 4.23Å; I169-W241 HydrophobicContact CD1-CH2 3.7Å; I169-W241 HydrophobicContact CD1-CZ3 4.01Å; L178-W241 HydrophobicContact CD1-CE3 3.71Å; L178-W241 HydrophobicContact CD1-CZ3 3.71Å; L178-W241 HydrophobicContact CD2-CZ3 4.22Å; H237-W241 VanDerWaalsContact O-CD1 3.29Å; H237-W241 PolarHBondContact O-N 3.47Å; L238-W241 WeakPolarHBondContact O-CA 3.42Å; L238-W241 WeakPolarHBondContact O-CB 3.45Å; L238-W241 PolarHBondContact O-N 3.18Å; W241-K243 PolarHBondContact O-N 3.28Å; W241-Y244 PolarHBondContact O-N 3.38Å; W241-F245 HydrophobicContact CE3-CD2 4.05Å; W241-F245 HydrophobicContact CE3-CE2 4.08Å; W241-F245 HydrophobicContact CZ3-CE2 4.17Å; W241-F245 PolarHBondContact O-N 2.83Å; W241-F250 HydrophobicContact CB-CE1 3.9Å; W241-F250 HydrophobicContact CB-CZ 3.67Å; W241-F250 HydrophobicContact CD2-CE1 4.31Å; W241-F250 HydrophobicContact CE3-CE1 4Å; W241-F250 HydrophobicContact CE3-CZ 4.23Å; W241-F250 HydrophobicContact CG-CE1 4.32Å; W241-F250 HydrophobicContact CG-CZ 4.48Å
242	L	98.8	Very high	98.6	Very high	57 Å²	57	43.4 Å²	43.4	30%	0.298	21%	0.205	S	C	.	.	T	Hydrogen-bonded Turn	trans	-68.2	-12.1	178.6	-68.2	172.4	0	0	0	114.3	L238 R240 Y244 F245 V247 F250 I338	L238-L242 HydrophobicContact CD1-CD1 4.47Å; L238-L242 HydrophobicContact CD1-CG 4.22Å; L238-L242 HydrophobicContact CD2-CD1 4.5Å; L238-L242 HydrophobicContact CG-CD1 3.93Å; L238-L242 HydrophobicContact CG-CG 4.18Å; L238-L242 WeakPolarHBondContact O-CG 3.45Å; L238-L242 PolarHBondContact O-N 2.91Å; R240-L242 VanDerWaalsContact C-N 3.34Å; L242-Y244 PolarHBondContact O-N 3.45Å; L242-F245 WeakPolarHBondContact CA-O 3.5Å; L242-V247 HydrophobicContact CD2-CB 3.96Å; L242-V247 HydrophobicContact CD2-CG2 4.33Å; L242-F250 HydrophobicContact CD2-CD2 4.26Å; L242-F250 HydrophobicContact CD2-CE2 3.97Å; L242-I338 HydrophobicContact CD1-CG2 3.5Å
243	K	98.7	Very high	98.6	Very high	166 Å²	166	43.4 Å²	43.4	72%	0.722	21%	0.205	S	C	*	.	T	Hydrogen-bonded Turn	trans	-69.3	-21.2	169.5	-62.4	-178.3	-178.5	-173.9	0	112.9	R240 W241	R240-K243 WeakPolarHBondContact O-CB 3.29Å; R240-K243 PolarHBondContact O-N 3.09Å; W241-K243 PolarHBondContact O-N 3.28Å
244	Y	98.9	Very high	98.6	Very high	80 Å²	80	43.3 Å²	43.3	31%	0.314	21%	0.205	S	C	.	.	T	Hydrogen-bonded Turn	trans	-116.2	-37	-174.2	-68.4	-81.3	0	0	0	112.7	P166 E167 F170 W241 L242	P166-Y244 HydrophobicContact CB-CD2 3.53Å; P166-Y244 HydrophobicContact CB-CE2 4.03Å; P166-Y244 HydrophobicContact CB-CG 4.23Å; E167-Y244 HydrophobicContact CB-CD1 4.4Å; E167-Y244 HydrophobicContact CB-CE1 3.68Å; E167-Y244 HydrophobicContact CB-CE2 4.18Å; E167-Y244 HydrophobicContact CG-CE1 3.7Å; F170-Y244 HydrophobicContact CB-CD1 4.04Å; F170-Y244 HydrophobicContact CB-CG 4.41Å; F170-Y244 HydrophobicContact CD1-CD1 4.3Å; F170-Y244 WeakPolarHBondContact CD2-O 3.4Å; F170-Y244 WeakPolarHBondContact CE2-O 3.35Å; F170-Y244 HydrophobicContact CG-CD1 4.07Å; W241-Y244 PolarHBondContact O-N 3.38Å; L242-Y244 PolarHBondContact O-N 3.45Å
245	F	98.8	Very high	98.6	Very high	2 Å²	2	43.3 Å²	43.3	1%	0.009	21%	0.205	C	C	.	.	S	Bend	trans	-120.8	139	-175	-59.7	-81.2	0	0	0	110.7	P166 I169 F170 I176 L178 W241 L242 F250	P166-F245 WeakPolarHBondContact O-CE2 3.29Å; I169-F245 HydrophobicContact CB-CZ 4.12Å; I169-F245 HydrophobicContact CG2-CE2 4.44Å; I169-F245 HydrophobicContact CG2-CZ 3.75Å; F170-F245 VanDerWaalsContact CA-CZ 3.5Å; F170-F245 HydrophobicContact CB-CE1 4.19Å; F170-F245 HydrophobicContact CB-CE2 4.14Å; F170-F245 HydrophobicContact CB-CZ 3.68Å; F170-F245 HydrophobicContact CD2-CD1 4.18Å; F170-F245 AromaticContact CD2-CE1 3.89Å; F170-F245 HydrophobicContact CD2-CE1 3.89Å; F170-F245 HydrophobicContact CD2-CZ 4.18Å; F170-F245 HydrophobicContact CG-CZ 4.45Å; I176-F245 HydrophobicContact CG2-CE1 3.83Å; I176-F245 HydrophobicContact CG2-CZ 4.24Å; L178-F245 HydrophobicContact CD1-CB 4.34Å; L178-F245 HydrophobicContact CD1-CD1 4.23Å; L178-F245 HydrophobicContact CD1-CD2 3.7Å; L178-F245 HydrophobicContact CD1-CE1 4.46Å; L178-F245 HydrophobicContact CD1-CE2 3.97Å; L178-F245 HydrophobicContact CD1-CG 3.83Å; L178-F245 HydrophobicContact CD1-CZ 4.32Å; W241-F245 HydrophobicContact CE3-CD2 4.05Å; W241-F245 HydrophobicContact CE3-CE2 4.08Å; W241-F245 HydrophobicContact CZ3-CE2 4.17Å; W241-F245 PolarHBondContact O-N 2.83Å; L242-F245 WeakPolarHBondContact CA-O 3.5Å; F245-F250 HydrophobicContact CB-CE2 3.47Å; F245-F250 VanDerWaalsContact CB-CE2 3.47Å; F245-F250 HydrophobicContact CB-CZ 3.6Å; F245-F250 HydrophobicContact CD2-CZ 4.21Å; F245-F250 HydrophobicContact CG-CZ 4.25Å
246	P	98.4	Very high	98.6	Very high	62 Å²	62	45 Å²	45	40%	0.403	21%	0.213	S	C	.	.			trans	-69.4	153.3	174.6	35.3	-38.8	0	0	0	110.2	E248 Q249 F250	P246-E248 WeakPolarHBondContact CB-OE2 3.48Å; P246-E248 PolarHBondContact O-N 2.96Å; P246-E248 VanDerWaalsContact O-N 3.16Å; P246-Q249 VanDerWaalsContact CD-OE1 3.28Å; P246-Q249 HydrophobicContact CG-CB 4.36Å; P246-Q249 HydrophobicContact CG-CG 3.98Å; P246-Q249 VanDerWaalsContact CG-OE1 3.28Å; P246-Q249 PolarHBondContact O-N 3.12Å; P246-F250 WeakPolarHBondContact O-CD2 3.26Å; P246-F250 WeakPolarHBondContact O-CE2 3.28Å
247	V	98	Very high	98.6	Very high	54 Å²	54	46.1 Å²	46.1	33%	0.327	22%	0.215	S	C	.	.	G	3₁₀ helix	trans	-61.5	-28.7	-172	67.9	0	0	0	0	112.4	L242 Q249 F250	L242-V247 HydrophobicContact CD2-CB 3.96Å; L242-V247 HydrophobicContact CD2-CG2 4.33Å; V247-Q249 PolarHBondContact O-N 3.07Å; V247-F250 WeakPolarHBondContact O-CB 3.45Å; V247-F250 PolarHBondContact O-N 2.81Å
248	E	98.2	Very high	98.6	Very high	144 Å²	144	46 Å²	46	67%	0.673	22%	0.215	S	C	*	.	G	3₁₀ helix	trans	-66.3	-20	178.9	-58.1	74.3	-163.8	0	0	112.8	P246 F250 F272	P246-E248 WeakPolarHBondContact CB-OE2 3.48Å; P246-E248 PolarHBondContact O-N 2.96Å; P246-E248 VanDerWaalsContact O-N 3.16Å; E248-F250 VanDerWaalsContact C-N 3.27Å; E248-F272 WeakPolarHBondContact O-CE2 3.3Å
249	Q	98.8	Very high	98.5	Very high	35 Å²	35	48.3 Å²	48.3	16%	0.164	23%	0.226	C	C	.	.	G	3₁₀ helix	trans	-84.1	-1.1	173	-78.4	-179.1	-127.9	0	0	113.1	S174 S175 I176 L178 P246 V247 F272	S174-Q249 PolarHBondContact O-NE2 3Å; S174-Q249 PolarHBondContact O-OE1 2.9Å; S175-Q249 VanDerWaalsContact C-NE2 3.28Å; I176-Q249 PolarHBondContact O-NE2 2.9Å; L178-Q249 PolarHBondContact N-O 3.17Å; P246-Q249 VanDerWaalsContact CD-OE1 3.28Å; P246-Q249 HydrophobicContact CG-CB 4.36Å; P246-Q249 HydrophobicContact CG-CG 3.98Å; P246-Q249 VanDerWaalsContact CG-OE1 3.28Å; P246-Q249 PolarHBondContact O-N 3.12Å; V247-Q249 PolarHBondContact O-N 3.07Å; Q249-F272 WeakPolarHBondContact O-CZ 3.47Å
250	F	98.9	Very high	98.4	Very high	17 Å²	17	49.1 Å²	49.1	8%	0.075	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.7	140	173.5	-61.3	-92.1	0	0	0	111.1	I96 L178 I180 L238 W241 L242 F245 P246 V247 E248 I252	I96-F250 HydrophobicContact CD1-CE1 4.15Å; L178-F250 HydrophobicContact CB-CD1 3.7Å; L178-F250 HydrophobicContact CB-CE1 3.86Å; L178-F250 HydrophobicContact CB-CG 4.45Å; L178-F250 HydrophobicContact CD1-CD1 4.07Å; L178-F250 HydrophobicContact CD1-CE1 3.35Å; L178-F250 HydrophobicContact CD1-CE2 4.46Å; L178-F250 HydrophobicContact CD1-CZ 3.58Å; L178-F250 HydrophobicContact CG-CE1 4.25Å; L178-F250 CarbonylContact O-C 3.21Å; L178-F250 WeakPolarHBondContact O-CA 3.3Å; I180-F250 HydrophobicContact CD1-CD1 3.63Å; I180-F250 HydrophobicContact CD1-CE1 4.21Å; I180-F250 HydrophobicContact CG1-CD1 4.32Å; L238-F250 HydrophobicContact CD1-CD1 4.38Å; L238-F250 HydrophobicContact CD1-CE1 4.46Å; W241-F250 HydrophobicContact CB-CE1 3.9Å; W241-F250 HydrophobicContact CB-CZ 3.67Å; W241-F250 HydrophobicContact CD2-CE1 4.31Å; W241-F250 HydrophobicContact CE3-CE1 4Å; W241-F250 HydrophobicContact CE3-CZ 4.23Å; W241-F250 HydrophobicContact CG-CE1 4.32Å; W241-F250 HydrophobicContact CG-CZ 4.48Å; L242-F250 HydrophobicContact CD2-CD2 4.26Å; L242-F250 HydrophobicContact CD2-CE2 3.97Å; F245-F250 HydrophobicContact CB-CE2 3.47Å; F245-F250 VanDerWaalsContact CB-CE2 3.47Å; F245-F250 HydrophobicContact CB-CZ 3.6Å; F245-F250 HydrophobicContact CD2-CZ 4.21Å; F245-F250 HydrophobicContact CG-CZ 4.25Å; P246-F250 WeakPolarHBondContact O-CD2 3.26Å; P246-F250 WeakPolarHBondContact O-CE2 3.28Å; V247-F250 WeakPolarHBondContact O-CB 3.45Å; V247-F250 PolarHBondContact O-N 2.81Å; E248-F250 VanDerWaalsContact C-N 3.27Å; F250-I252 HydrophobicContact CB-CD1 4.3Å
251	H	98.8	Very high	98.3	Very high	28 Å²	28	49.8 Å²	49.8	13%	0.13	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.9	121.1	163.6	-178.8	74.4	0	0	0	110.4	L178 L179 I180 F272	L178-H251 PolarHBondContact O-N 3.26Å; L179-H251 HydrophobicContact CD2-CB 3.86Å; I180-H251 PolarHBondContact N-O 2.97Å; H251-F272 HydrophobicContact CB-CB 4.04Å; H251-F272 HydrophobicContact CB-CD1 3.32Å; H251-F272 HydrophobicContact CB-CD2 3.62Å; H251-F272 HydrophobicContact CB-CE1 3.48Å; H251-F272 VanDerWaalsContact CB-CE1 3.48Å; H251-F272 HydrophobicContact CB-CE2 3.78Å; H251-F272 HydrophobicContact CB-CG 3.36Å; H251-F272 HydrophobicContact CB-CZ 3.71Å; H251-F272 AromaticContact CG-CD1 3.99Å; H251-F272 AromaticContact CG-CG 3.79Å
252	I	98.8	Very high	98.3	Very high	12 Å²	12	49.9 Å²	49.9	6%	0.062	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.6	110.4	-178.3	-42.1	-58.4	0	0	0	108.8	I180 V182 F250 F335 T339 R341 F343	I180-I252 HydrophobicContact CB-CD1 3.86Å; I180-I252 HydrophobicContact CD1-CD1 3.68Å; I180-I252 HydrophobicContact CG1-CD1 4.19Å; I180-I252 CarbonylContact O-C 3.43Å; I180-I252 VanDerWaalsContact O-CA 3.26Å; I180-I252 WeakPolarHBondContact O-CA 3.44Å; V182-I252 HydrophobicContact CG1-CG2 4.42Å; V182-I252 HydrophobicContact CG2-CG2 3.65Å; F250-I252 HydrophobicContact CB-CD1 4.3Å; I252-F335 HydrophobicContact CD1-CZ 4.42Å; I252-F335 HydrophobicContact CG1-CZ 4.48Å; I252-F335 HydrophobicContact CG2-CE1 3.96Å; I252-F335 HydrophobicContact CG2-CZ 3.78Å; I252-T339 HydrophobicContact CD1-CG2 4.13Å; I252-T339 HydrophobicContact CG1-CG2 3.65Å; I252-R341 PolarHBondContact O-NH1 3.03Å; I252-F343 HydrophobicContact CB-CZ 4.03Å; I252-F343 HydrophobicContact CG2-CE1 4.14Å; I252-F343 HydrophobicContact CG2-CE2 4.22Å; I252-F343 HydrophobicContact CG2-CZ 3.4Å; I252-F343 VanDerWaalsContact CG2-CZ 3.4Å
253	V	98.9	Very high	98.2	Very high	0 Å²	0	47.5 Å²	47.5	0%	0	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86	131.2	176.6	-178.4	0	0	0	0	109.1	L106 L179 I180 I181 V182 G255 E265 V269	L106-V253 HydrophobicContact CD1-CG1 4.38Å; L106-V253 HydrophobicContact CD1-CG2 4.34Å; L106-V253 HydrophobicContact CD2-CB 4.42Å; L106-V253 HydrophobicContact CD2-CG2 3.92Å; L179-V253 HydrophobicContact CD2-CG2 4.36Å; I180-V253 PolarHBondContact O-N 3.1Å; I181-V253 WeakPolarHBondContact CA-O 3.3Å; I181-V253 HydrophobicContact CB-CB 3.93Å; I181-V253 HydrophobicContact CB-CG1 4.36Å; I181-V253 HydrophobicContact CD1-CG1 4.03Å; I181-V253 HydrophobicContact CG1-CB 3.99Å; I181-V253 HydrophobicContact CG1-CG1 3.95Å; V182-V253 PolarHBondContact N-O 3.15Å; V253-G255 PolarHBondContact O-N 2.88Å; V253-E265 HydrophobicContact CG1-CB 4.32Å; V253-V269 HydrophobicContact CG2-CG2 3.56Å
254	D	98.8	Very high	98.2	Very high	11 Å²	11	42 Å²	42	6%	0.059	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-79.4	104.1	172	-176.6	-20.8	0	0	0	109.1	D256 R257 L258 E265 F343	D254-D256 VanDerWaalsContact C-N 3.29Å; D254-D256 PolarHBondContact O-N 3.26Å; D254-D256 WeakPolarHBondContact OD1-CA 3.4Å; D254-D256 WeakPolarHBondContact OD1-CB 3.29Å; D254-D256 PolarHBondContact OD1-N 2.93Å; D254-R257 HydrophobicContact CB-CB 3.88Å; D254-R257 HydrophobicContact CB-CG 4.01Å; D254-R257 VanDerWaalsContact CG-CG 3.43Å; D254-R257 PolarHBondContact O-N 3.46Å; D254-R257 PolarHBondContact OD1-N 3.5Å; D254-R257 WeakPolarHBondContact OD2-CG 3.27Å; D254-L258 WeakPolarHBondContact O-CB 3.28Å; D254-L258 PolarHBondContact O-N 3.22Å; D254-E265 PolarHBondContact N-OE2 3.02Å; D254-F343 HydrophobicContact CB-CD1 3.73Å; D254-F343 HydrophobicContact CB-CE1 3.69Å
255	G	98.5	Very high	98.2	Very high	1 Å²	1	38.6 Å²	38.6	1%	0.01	20%	0.2	C	C	.	.	H	α-helix	trans	-72.4	-19.6	-179.9	0	0	0	0	0	113.9	V182 V253 I259	V182-G255 VanDerWaalsContact O-CA 3.23Å; V182-G255 WeakPolarHBondContact O-CA 3.23Å; V182-G255 PolarHBondContact O-N 3.05Å; V253-G255 PolarHBondContact O-N 2.88Å; G255-I259 WeakPolarHBondContact O-CD1 3.24Å; G255-I259 VanDerWaalsContact O-CG1 3.28Å; G255-I259 WeakPolarHBondContact O-CG1 3.49Å; G255-I259 PolarHBondContact O-N 3.44Å
256	D	98.2	Very high	98.2	Very high	39 Å²	39	38.5 Å²	38.5	21%	0.209	20%	0.199	C	C	.	.	H	α-helix	trans	-79.4	-38.8	174.6	-62.2	-43.6	0	0	0	110.1	R183 E184 D254 I259 T260 W345	R183-D256 WeakPolarHBondContact CA-OD2 3.22Å; R183-D256 IonicContact CZ-OD1 3.79Å; R183-D256 IonicContact NE-OD1 3.32Å; R183-D256 PolarHBondContact NE-OD1 3.01Å; R183-D256 IonicContact NH2-OD1 2.73Å; R183-D256 PolarHBondContact NH2-OD1 2.72Å; E184-D256 PolarHBondContact N-OD2 2.73Å; D254-D256 VanDerWaalsContact C-N 3.29Å; D254-D256 PolarHBondContact O-N 3.26Å; D254-D256 WeakPolarHBondContact OD1-CA 3.4Å; D254-D256 WeakPolarHBondContact OD1-CB 3.29Å; D254-D256 PolarHBondContact OD1-N 2.93Å; D256-I259 PolarHBondContact O-N 3.2Å; D256-T260 PolarHBondContact O-N 2.81Å; D256-T260 PolarHBondContact O-OG1 2.82Å; D256-T260 VanDerWaalsContact O-OG1 3.14Å; D256-W345 PolarHBondContact OD2-NE1 3.14Å
257	R	98.1	Very high	98.2	Very high	133 Å²	133	38.9 Å²	38.9	50%	0.502	20%	0.196	S	C	.	.	H	α-helix	trans	-62.8	-42.8	165.6	-74.1	-86.5	-175.4	162.7	-0.2	112	D254 I259 T260 D261 E265	D254-R257 HydrophobicContact CB-CB 3.88Å; D254-R257 HydrophobicContact CB-CG 4.01Å; D254-R257 VanDerWaalsContact CG-CG 3.43Å; D254-R257 PolarHBondContact O-N 3.46Å; D254-R257 PolarHBondContact OD1-N 3.5Å; D254-R257 WeakPolarHBondContact OD2-CG 3.27Å; R257-I259 PolarHBondContact O-N 2.04Å; R257-I259 VanDerWaalsContact O-N 3.09Å; R257-T260 PolarHBondContact O-N 3.3Å; R257-T260 PolarHBondContact O-OG1 3.44Å; R257-D261 CarbonylContact O-C 3.59Å; R257-D261 WeakPolarHBondContact O-CA 3.36Å; R257-D261 PolarHBondContact O-N 3.11Å; R257-D261 VanDerWaalsContact O-O 3.13Å; R257-E265 HydrophobicContact CB-CG 3.71Å
258	L	97.9	Very high	98.3	Very high	7 Å²	7	38.9 Å²	38.9	4%	0.037	19%	0.193	C	C	.	.	H	α-helix	trans	-60.3	-25.8	179.7	-165.1	74	0	0	0	112.8	A105 L106 M109 I181 D254 P262 E265 L266	A105-L258 HydrophobicContact CB-CD2 4.4Å; L106-L258 HydrophobicContact CB-CD2 4.11Å; M109-L258 HydrophobicContact SD-CD1 3.84Å; M109-L258 HydrophobicContact SD-CD2 4.21Å; M109-L258 HydrophobicContact SD-CG 4.01Å; I181-L258 HydrophobicContact CD1-CB 4.48Å; I181-L258 HydrophobicContact CD1-CD2 3.4Å; I181-L258 VanDerWaalsContact CD1-CD2 3.4Å; D254-L258 WeakPolarHBondContact O-CB 3.28Å; D254-L258 PolarHBondContact O-N 3.22Å; L258-P262 HydrophobicContact CD1-CB 4.03Å; L258-P262 WeakPolarHBondContact O-CB 3.14Å; L258-E265 HydrophobicContact CD1-CB 3.93Å; L258-L266 HydrophobicContact CD1-CD2 4.15Å; L258-L266 HydrophobicContact CD1-CG 4.17Å
259	I	96.7	Very high	98.3	Very high	48 Å²	48	32 Å²	32	25%	0.246	16%	0.161	C	C	.	.	H	α-helix	trans	-77.4	-40.7	175.6	-71.6	164.4	0	0	0	111.4	G255 D256 R257 F292 Y293	G255-I259 WeakPolarHBondContact O-CD1 3.24Å; G255-I259 VanDerWaalsContact O-CG1 3.28Å; G255-I259 WeakPolarHBondContact O-CG1 3.49Å; G255-I259 PolarHBondContact O-N 3.44Å; D256-I259 PolarHBondContact O-N 3.2Å; R257-I259 PolarHBondContact O-N 2.04Å; R257-I259 VanDerWaalsContact O-N 3.09Å; I259-F292 HydrophobicContact CG1-CE1 4.45Å; I259-F292 HydrophobicContact CG2-CD1 4.05Å; I259-F292 HydrophobicContact CG2-CE1 3.91Å; I259-Y293 WeakPolarHBondContact O-CD2 3.46Å
260	T	96.6	Very high	98.3	Very high	93 Å²	93	30.5 Å²	30.5	57%	0.571	15%	0.154	S	C	*	.	H	α-helix	trans	-93.6	-39.3	-170.2	53.3	0	0	0	0	113.5	D256 R257 Y293	D256-T260 PolarHBondContact O-N 2.81Å; D256-T260 PolarHBondContact O-OG1 2.82Å; D256-T260 VanDerWaalsContact O-OG1 3.14Å; R257-T260 PolarHBondContact O-N 3.3Å; R257-T260 PolarHBondContact O-OG1 3.44Å; T260-Y293 VanDerWaalsContact O-CE2 3.3Å; T260-Y293 WeakPolarHBondContact O-CE2 3.43Å; T260-Y293 PolarHBondContact O-OH 3.39Å
261	D	96.9	Very high	98.3	Very high	57 Å²	57	37.7 Å²	37.7	31%	0.305	18%	0.181	S	C	.	.			trans	-147	84.9	178.6	-175	14.9	0	0	0	110.3	R257 P264	R257-D261 CarbonylContact O-C 3.59Å; R257-D261 WeakPolarHBondContact O-CA 3.36Å; R257-D261 PolarHBondContact O-N 3.11Å; R257-D261 VanDerWaalsContact O-O 3.13Å; D261-P264 WeakPolarHBondContact O-CD 3.43Å; D261-P264 VanDerWaalsContact OD1-CD 3.31Å; D261-P264 WeakPolarHBondContact OD1-CD 3.5Å; D261-P264 WeakPolarHBondContact OD2-CG 3.4Å
262	P	98.2	Very high	98.3	Very high	1 Å²	1	37.9 Å²	37.9	1%	0.006	18%	0.181	C	C	.	.	H	α-helix	trans	-71.2	-29.8	-170.9	22.6	-32.4	0	0	0	115.4	M109 L258 E265 L266 L284 Y293	M109-P262 HydrophobicContact CE-CB 3.92Å; M109-P262 HydrophobicContact CE-CG 4.39Å; M109-P262 HydrophobicContact SD-CB 4.09Å; L258-P262 HydrophobicContact CD1-CB 4.03Å; L258-P262 WeakPolarHBondContact O-CB 3.14Å; P262-E265 PolarHBondContact O-N 3.34Å; P262-L266 HydrophobicContact CB-CD1 4.35Å; P262-L266 VanDerWaalsContact O-CG 3.26Å; P262-L266 WeakPolarHBondContact O-CG 3.42Å; P262-L266 PolarHBondContact O-N 2.94Å; P262-L284 HydrophobicContact CB-CD1 4.08Å; P262-L284 HydrophobicContact CG-CD1 3.81Å; P262-Y293 VanDerWaalsContact CD-CE2 3.48Å; P262-Y293 HydrophobicContact CG-CD1 3.91Å; P262-Y293 HydrophobicContact CG-CD2 3.84Å; P262-Y293 HydrophobicContact CG-CE1 4.19Å; P262-Y293 HydrophobicContact CG-CE2 4.13Å; P262-Y293 HydrophobicContact CG-CG 3.72Å
263	L	98.4	Very high	98.3	Very high	7 Å²	7	37.9 Å²	37.9	4%	0.037	18%	0.182	C	C	.	.	H	α-helix	trans	-64.2	-46.3	-168.7	-177.2	66.9	0	0	0	113.1	E265 L266 Q267 I279 H281 L284	L263-E265 VanDerWaalsContact C-N 3.31Å; L263-E265 PolarHBondContact O-N 3.11Å; L263-L266 PolarHBondContact O-N 3.11Å; L263-L266 VanDerWaalsContact O-N 3.12Å; L263-Q267 HydrophobicContact CD1-CG 4.28Å; L263-Q267 HydrophobicContact CG-CG 4.34Å; L263-Q267 WeakPolarHBondContact O-CG 3.31Å; L263-Q267 PolarHBondContact O-N 3.32Å; L263-I279 HydrophobicContact CD1-CB 4.48Å; L263-I279 HydrophobicContact CD1-CG2 3.96Å; L263-I279 WeakPolarHBondContact CD1-O 3.09Å; L263-H281 HydrophobicContact CD2-CB 4.49Å; L263-H281 WeakPolarHBondContact CD2-CD2 3.04Å; L263-H281 VanDerWaalsContact CD2-CE1 3.45Å; L263-H281 WeakPolarHBondContact CD2-CE1 3.45Å; L263-H281 VanDerWaalsContact CD2-NE2 3.27Å; L263-H281 WeakPolarHBondContact CD2-NE2 3.28Å; L263-L284 HydrophobicContact CB-CD1 4.11Å; L263-L284 HydrophobicContact CD1-CD1 4.33Å
264	P	98.4	Very high	98.2	Very high	51 Å²	51	44.2 Å²	44.2	33%	0.331	22%	0.215	S	C	.	.	H	α-helix	trans	-59.3	-39.7	178.4	-26.7	37.1	0	0	0	113.3	D261 Q267 L268	D261-P264 WeakPolarHBondContact O-CD 3.43Å; D261-P264 VanDerWaalsContact OD1-CD 3.31Å; D261-P264 WeakPolarHBondContact OD1-CD 3.5Å; D261-P264 WeakPolarHBondContact OD2-CG 3.4Å; P264-Q267 PolarHBondContact O-N 2.95Å; P264-L268 WeakPolarHBondContact O-CG 3.36Å; P264-L268 PolarHBondContact O-N 2.88Å; P264-L268 VanDerWaalsContact O-N 3.09Å
265	E	98.5	Very high	98.2	Very high	8 Å²	8	44.8 Å²	44.8	4%	0.037	22%	0.218	C	C	.	.	H	α-helix	trans	-64	-41.9	175	-72.3	-55.4	118	0	0	111.7	V253 D254 R257 L258 P262 L263 Q267 L268 V269 R341	V253-E265 HydrophobicContact CG1-CB 4.32Å; D254-E265 PolarHBondContact N-OE2 3.02Å; R257-E265 HydrophobicContact CB-CG 3.71Å; L258-E265 HydrophobicContact CD1-CB 3.93Å; P262-E265 PolarHBondContact O-N 3.34Å; L263-E265 VanDerWaalsContact C-N 3.31Å; L263-E265 PolarHBondContact O-N 3.11Å; E265-Q267 VanDerWaalsContact C-N 3.33Å; E265-Q267 PolarHBondContact O-N 2.81Å; E265-L268 WeakPolarHBondContact O-CB 3.26Å; E265-L268 PolarHBondContact O-N 2.89Å; E265-V269 WeakPolarHBondContact O-CG2 3.26Å; E265-V269 PolarHBondContact O-N 2.91Å; E265-V269 VanDerWaalsContact O-N 3.1Å; E265-R341 IonicContact OE1-CZ 3.08Å; E265-R341 IonicContact OE1-NH1 2.7Å; E265-R341 IonicContact OE1-NH2 3.9Å; E265-R341 PolarHBondContact OE1-NH2 3.23Å; E265-R341 IonicContact OE2-CZ 3.43Å; E265-R341 IonicContact OE2-NH1 2.8Å; E265-R341 PolarHBondContact OE2-NH1 3.34Å; E265-R341 IonicContact OE2-NH2 3.85Å; E265-R341 PolarHBondContact OE2-NH2 3.27Å; E265-R341 VanDerWaalsContact OE2-NH2 3.12Å
266	L	98.7	Very high	98.1	Very high	0 Å²	0	48.3 Å²	48.3	0%	0	24%	0.241	C	C	.	.	H	α-helix	trans	-65.9	-36.6	178.4	-65.6	169.9	0	0	0	112	L106 M109 L110 L258 P262 L263 L268 V269 E270 I279 L284	L106-L266 HydrophobicContact CD1-CD2 4.1Å; M109-L266 HydrophobicContact CB-CD1 3.78Å; M109-L266 HydrophobicContact CB-CD2 3.61Å; M109-L266 HydrophobicContact CB-CG 4.35Å; M109-L266 HydrophobicContact CG-CD1 4.2Å; M109-L266 HydrophobicContact SD-CD1 4.1Å; M109-L266 HydrophobicContact SD-CD2 4.38Å; L110-L266 HydrophobicContact CD2-CD2 4.08Å; L110-L266 HydrophobicContact CG-CD2 4.43Å; L258-L266 HydrophobicContact CD1-CD2 4.15Å; L258-L266 HydrophobicContact CD1-CG 4.17Å; P262-L266 HydrophobicContact CB-CD1 4.35Å; P262-L266 VanDerWaalsContact O-CG 3.26Å; P262-L266 WeakPolarHBondContact O-CG 3.42Å; P262-L266 PolarHBondContact O-N 2.94Å; L263-L266 PolarHBondContact O-N 3.11Å; L263-L266 VanDerWaalsContact O-N 3.12Å; L266-L268 VanDerWaalsContact C-N 3.35Å; L266-V269 PolarHBondContact O-N 3.05Å; L266-E270 WeakPolarHBondContact O-CG 3.42Å; L266-E270 PolarHBondContact O-N 3.09Å; L266-I279 HydrophobicContact CB-CD1 4.34Å; L266-I279 HydrophobicContact CD1-CG2 4.01Å; L266-L284 HydrophobicContact CD1-CD1 3.82Å; L266-L284 HydrophobicContact CD1-CD2 4.41Å
267	Q	98.6	Very high	98	Very high	71 Å²	71	50 Å²	50	33%	0.332	26%	0.256	S	S	.	.	H	α-helix	trans	-68.1	-33.2	175.7	-71.8	176.3	-27.4	0	0	112.7	L263 P264 E265 V269 R271	L263-Q267 HydrophobicContact CD1-CG 4.28Å; L263-Q267 HydrophobicContact CG-CG 4.34Å; L263-Q267 WeakPolarHBondContact O-CG 3.31Å; L263-Q267 PolarHBondContact O-N 3.32Å; P264-Q267 PolarHBondContact O-N 2.95Å; E265-Q267 VanDerWaalsContact C-N 3.33Å; E265-Q267 PolarHBondContact O-N 2.81Å; Q267-V269 VanDerWaalsContact C-N 3.33Å; Q267-R271 WeakPolarHBondContact O-CG 3.47Å; Q267-R271 PolarHBondContact O-N 3.02Å; Q267-R271 VanDerWaalsContact O-N 3.1Å
268	L	98.6	Very high	98	Very high	53 Å²	53	51.3 Å²	51.3	28%	0.277	26%	0.261	S	S	.	.	H	α-helix	trans	-63.1	-42.2	170	-73.1	167.4	0	0	0	111.2	P264 E265 L266 R271 F272	P264-L268 WeakPolarHBondContact O-CG 3.36Å; P264-L268 PolarHBondContact O-N 2.88Å; P264-L268 VanDerWaalsContact O-N 3.09Å; E265-L268 WeakPolarHBondContact O-CB 3.26Å; E265-L268 PolarHBondContact O-N 2.89Å; L266-L268 VanDerWaalsContact C-N 3.35Å; L268-R271 PolarHBondContact O-N 2.99Å; L268-F272 WeakPolarHBondContact O-CB 3.17Å; L268-F272 PolarHBondContact O-N 3.4Å
269	V	98.8	Very high	97.9	Very high	0 Å²	0	51.2 Å²	51.2	0%	0	26%	0.26	C	S	.	.	H	α-helix	trans	-67.9	-40.9	176.5	-178	0	0	0	0	111.8	L106 L110 L179 V253 E265 L266 Q267 R271 F272 L273	L106-V269 HydrophobicContact CD1-CG2 4.27Å; L110-V269 HydrophobicContact CD1-CG1 3.92Å; L110-V269 HydrophobicContact CD2-CB 3.95Å; L110-V269 HydrophobicContact CD2-CG1 3.47Å; L110-V269 VanDerWaalsContact CD2-CG1 3.47Å; L110-V269 HydrophobicContact CG-CG1 4.32Å; L179-V269 HydrophobicContact CD1-CG1 4.04Å; L179-V269 HydrophobicContact CD2-CG1 3.79Å; L179-V269 HydrophobicContact CD2-CG2 4.25Å; V253-V269 HydrophobicContact CG2-CG2 3.56Å; E265-V269 WeakPolarHBondContact O-CG2 3.26Å; E265-V269 PolarHBondContact O-N 2.91Å; E265-V269 VanDerWaalsContact O-N 3.1Å; L266-V269 PolarHBondContact O-N 3.05Å; Q267-V269 VanDerWaalsContact C-N 3.33Å; V269-R271 VanDerWaalsContact C-N 3.34Å; V269-R271 PolarHBondContact O-N 3.24Å; V269-F272 PolarHBondContact O-N 2.94Å; V269-L273 HydrophobicContact CG1-CD1 3.73Å; V269-L273 HydrophobicContact CG1-CG 4.1Å; V269-L273 WeakPolarHBondContact O-CB 3.37Å; V269-L273 VanDerWaalsContact O-CG 3.29Å; V269-L273 WeakPolarHBondContact O-CG 3.3Å; V269-L273 PolarHBondContact O-N 3.43Å
270	E	98.8	Very high	97.9	Very high	3 Å²	3	51.2 Å²	51.2	1%	0.014	26%	0.264	C	S	.	.	H	α-helix	trans	-55.4	-49.8	174.3	-75.3	178.7	141.1	0	0	110.5	H113 L266 L273 N274 L275 S277 R278 I279	H113-E270 IonicContact CD2-OE1 3.71Å; H113-E270 PolarHBondContact CD2-OE1 2.92Å; L266-E270 WeakPolarHBondContact O-CG 3.42Å; L266-E270 PolarHBondContact O-N 3.09Å; E270-L273 CarbonylContact O-C 3.59Å; E270-L273 PolarHBondContact O-N 3.18Å; E270-N274 PolarHBondContact O-N 3.19Å; E270-L275 HydrophobicContact CB-CB 4.35Å; E270-L275 PolarHBondContact O-N 2.79Å; E270-S277 VanDerWaalsContact OE2-CA 3.28Å; E270-S277 WeakPolarHBondContact OE2-CA 3.4Å; E270-S277 WeakPolarHBondContact OE2-CB 3.46Å; E270-S277 PolarHBondContact OE2-OG 3.11Å; E270-R278 PolarHBondContact OE1-N 3.39Å; E270-I279 HydrophobicContact CG-CD1 4.48Å; E270-I279 WeakPolarHBondContact OE1-CG1 3.22Å; E270-I279 PolarHBondContact OE1-N 3.41Å
271	R	98.7	Very high	97.9	Very high	168 Å²	168	53.4 Å²	53.4	63%	0.634	27%	0.268	S	S	*	.	H	α-helix	trans	-60.1	-48.9	176.3	-75.1	-173.5	-73.3	-178.3	-6.7	112.2	Q267 L268 V269 L273 N274	Q267-R271 WeakPolarHBondContact O-CG 3.47Å; Q267-R271 PolarHBondContact O-N 3.02Å; Q267-R271 VanDerWaalsContact O-N 3.1Å; L268-R271 PolarHBondContact O-N 2.99Å; V269-R271 VanDerWaalsContact C-N 3.34Å; V269-R271 PolarHBondContact O-N 3.24Å; R271-L273 PolarHBondContact O-N 3.02Å; R271-N274 PolarHBondContact O-N 2.9Å; R271-N274 PolarHBondContact O-OD1 3.49Å
272	F	98.8	Very high	97.8	Very high	32 Å²	32	55.6 Å²	55.6	14%	0.14	27%	0.273	C	S	.	.	H	α-helix	trans	-58.4	-37.1	178.2	171.8	-108.3	0	0	0	112.2	K177 L179 E248 Q249 H251 L268 V269 N274	K177-F272 HydrophobicContact CB-CE1 3.7Å; K177-F272 HydrophobicContact CB-CZ 3.8Å; K177-F272 HydrophobicContact CD-CD1 4.46Å; K177-F272 HydrophobicContact CD-CE1 4.11Å; K177-F272 HydrophobicContact CD-CZ 4.14Å; K177-F272 WeakPolarHBondContact CD-O 3.41Å; K177-F272 WeakPolarHBondContact CE-O 3.46Å; K177-F272 HydrophobicContact CG-CE1 4.18Å; K177-F272 HydrophobicContact CG-CZ 3.97Å; K177-F272 PolarHBondContact NZ-O 2.78Å; L179-F272 HydrophobicContact CD2-CD1 3.95Å; L179-F272 HydrophobicContact CD2-CE1 4.07Å; L179-F272 HydrophobicContact CG-CE1 4.42Å; E248-F272 WeakPolarHBondContact O-CE2 3.3Å; Q249-F272 WeakPolarHBondContact O-CZ 3.47Å; H251-F272 HydrophobicContact CB-CB 4.04Å; H251-F272 HydrophobicContact CB-CD1 3.32Å; H251-F272 HydrophobicContact CB-CD2 3.62Å; H251-F272 HydrophobicContact CB-CE1 3.48Å; H251-F272 VanDerWaalsContact CB-CE1 3.48Å; H251-F272 HydrophobicContact CB-CE2 3.78Å; H251-F272 HydrophobicContact CB-CG 3.36Å; H251-F272 HydrophobicContact CB-CZ 3.71Å; H251-F272 AromaticContact CG-CD1 3.99Å; H251-F272 AromaticContact CG-CG 3.79Å; L268-F272 WeakPolarHBondContact O-CB 3.17Å; L268-F272 PolarHBondContact O-N 3.4Å; V269-F272 PolarHBondContact O-N 2.94Å; F272-N274 VanDerWaalsContact C-N 3.26Å; F272-N274 PolarHBondContact O-N 3.15Å
273	L	98.5	Very high	97.7	Very high	13 Å²	13	55.9 Å²	55.9	7%	0.068	27%	0.274	C	S	.	.	T	Hydrogen-bonded Turn	trans	-82.6	2.5	178	-64.3	179	0	0	0	113.7	A93 I151 I153 K177 L179 V269 E270 R271 L275	A93-L273 HydrophobicContact CB-CD2 3.58Å; I151-L273 HydrophobicContact CD1-CB 4.2Å; I151-L273 HydrophobicContact CD1-CD1 3.87Å; I151-L273 HydrophobicContact CD1-CG 4.46Å; I153-L273 HydrophobicContact CD1-CD1 3.86Å; K177-L273 HydrophobicContact CB-CD2 4.2Å; K177-L273 HydrophobicContact CD-CD2 4.05Å; L179-L273 HydrophobicContact CD1-CD1 4.39Å; V269-L273 HydrophobicContact CG1-CD1 3.73Å; V269-L273 HydrophobicContact CG1-CG 4.1Å; V269-L273 WeakPolarHBondContact O-CB 3.37Å; V269-L273 VanDerWaalsContact O-CG 3.29Å; V269-L273 WeakPolarHBondContact O-CG 3.3Å; V269-L273 PolarHBondContact O-N 3.43Å; E270-L273 CarbonylContact O-C 3.59Å; E270-L273 PolarHBondContact O-N 3.18Å; R271-L273 PolarHBondContact O-N 3.02Å; L273-L275 VanDerWaalsContact C-N 3.26Å; L273-L275 HydrophobicContact CB-CD1 4.06Å; L273-L275 HydrophobicContact CB-CG 3.94Å; L273-L275 HydrophobicContact CD1-CD1 4.29Å; L273-L275 PolarHBondContact O-N 2.82Å
274	N	98.3	Very high	97.7	Very high	132 Å²	132	56.2 Å²	56.2	71%	0.706	28%	0.276	S	S	*	.	T	Hydrogen-bonded Turn	trans	57	38.2	-173.2	-56.2	-26.9	0	0	0	112.6	K177 E270 R271 F272	K177-N274 VanDerWaalsContact NZ-CG 3.28Å; K177-N274 PolarHBondContact NZ-ND2 3.03Å; E270-N274 PolarHBondContact O-N 3.19Å; R271-N274 PolarHBondContact O-N 2.9Å; R271-N274 PolarHBondContact O-OD1 3.49Å; F272-N274 VanDerWaalsContact C-N 3.26Å; F272-N274 PolarHBondContact O-N 3.15Å
275	L	97.7	Very high	97.6	Very high	23 Å²	23	56.4 Å²	56.4	12%	0.12	27%	0.271	C	S	.	.			trans	-98.4	143.4	175.8	-64.5	178.4	0	0	0	110.5	A115 V116 I151 E270 L273	A115-L275 HydrophobicContact CB-CD2 4.02Å; V116-L275 HydrophobicContact CG2-CD1 3.6Å; I151-L275 HydrophobicContact CD1-CD1 3.8Å; I151-L275 HydrophobicContact CD1-CD2 4.19Å; I151-L275 HydrophobicContact CD1-CG 4.23Å; E270-L275 HydrophobicContact CB-CB 4.35Å; E270-L275 PolarHBondContact O-N 2.79Å; L273-L275 VanDerWaalsContact C-N 3.26Å; L273-L275 HydrophobicContact CB-CD1 4.06Å; L273-L275 HydrophobicContact CB-CG 3.94Å; L273-L275 HydrophobicContact CD1-CD1 4.29Å; L273-L275 PolarHBondContact O-N 2.82Å
276	P	97.3	Very high	97.5	Very high	75 Å²	75	61.4 Å²	61.4	49%	0.487	29%	0.292	S	S	.	.			trans	-63.7	147.5	170.1	29	-34.4	0	0	0	109.7	H113 R278	H113-P276 PolarHBondContact NE2-O 3.05Å; P276-R278 HydrophobicContact CG-CG 4.19Å; P276-R278 PolarHBondContact O-N 2.81Å; P276-R278 VanDerWaalsContact O-N 3.11Å
277	S	96.5	Very high	97.4	Very high	74 Å²	74	63.2 Å²	63.2	52%	0.517	30%	0.302	S	S	.	.			trans	-70.2	114.4	178.1	-165.5	0	0	0	0	110.9	E270	E270-S277 VanDerWaalsContact OE2-CA 3.28Å; E270-S277 WeakPolarHBondContact OE2-CA 3.4Å; E270-S277 WeakPolarHBondContact OE2-CB 3.46Å; E270-S277 PolarHBondContact OE2-OG 3.11Å
278	R	96.8	Very high	97.1	Very high	162 Å²	162	63.9 Å²	63.9	61%	0.611	32%	0.32	S	S	*	.			trans	-131.8	-21.2	-177.7	-61.6	-65.8	-172.3	164.5	-0.8	113	H113 P114 E270 P276	H113-R278 WeakPolarHBondContact NE2-CG 3.27Å; P114-R278 HydrophobicContact CG-CB 4.39Å; P114-R278 HydrophobicContact CG-CG 4.26Å; E270-R278 PolarHBondContact OE1-N 3.39Å; P276-R278 HydrophobicContact CG-CG 4.19Å; P276-R278 PolarHBondContact O-N 2.81Å; P276-R278 VanDerWaalsContact O-N 3.11Å
279	I	97.1	Very high	96.8	Very high	4 Å²	4	68 Å²	68	2%	0.021	35%	0.347	C	S	.	.			trans	-73.5	134.5	170.5	-58.1	172.4	0	0	0	107.9	L112 H113 L263 L266 E270	L112-I279 HydrophobicContact CB-CG1 4.18Å; L112-I279 HydrophobicContact CD1-CG2 4.37Å; H113-I279 HydrophobicContact CB-CD1 4.21Å; H113-I279 HydrophobicContact CB-CG1 4.14Å; L263-I279 HydrophobicContact CD1-CB 4.48Å; L263-I279 HydrophobicContact CD1-CG2 3.96Å; L263-I279 WeakPolarHBondContact CD1-O 3.09Å; L266-I279 HydrophobicContact CB-CD1 4.34Å; L266-I279 HydrophobicContact CD1-CG2 4.01Å; E270-I279 HydrophobicContact CG-CD1 4.48Å; E270-I279 WeakPolarHBondContact OE1-CG1 3.22Å; E270-I279 PolarHBondContact OE1-N 3.41Å
280	S	96.6	Very high	96.3	Very high	48 Å²	48	74.6 Å²	74.6	34%	0.336	37%	0.372	S	S	.	.			trans	-136.2	169.1	-175.4	66.8	0	0	0	0	111.8	Y282 N283	S280-Y282 PolarHBondContact O-N 3.44Å; S280-Y282 VanDerWaalsContact O-N 3.15Å; S280-Y282 PolarHBondContact OG-N 3.04Å; S280-N283 PolarHBondContact N-OD1 3.29Å; S280-N283 WeakPolarHBondContact O-CB 3.48Å; S280-N283 PolarHBondContact O-N 3.23Å; S280-N283 PolarHBondContact OG-OD1 3.22Å
281	H	95.6	Very high	96	Very high	139 Å²	139	76.1 Å²	76.1	64%	0.644	39%	0.389	S	S	*	.	G	3₁₀ helix	trans	-55.1	-29.7	172.4	-70.9	-72.7	0	0	0	112.8	L263 N283 L284	L263-H281 HydrophobicContact CD2-CB 4.49Å; L263-H281 WeakPolarHBondContact CD2-CD2 3.04Å; L263-H281 VanDerWaalsContact CD2-CE1 3.45Å; L263-H281 WeakPolarHBondContact CD2-CE1 3.45Å; L263-H281 VanDerWaalsContact CD2-NE2 3.27Å; L263-H281 WeakPolarHBondContact CD2-NE2 3.28Å; H281-N283 PolarHBondContact O-N 3.17Å; H281-L284 PolarHBondContact O-N 3.47Å
282	Y	95.1	Very high	95.9	Very high	103 Å²	103	71.6 Å²	71.6	40%	0.404	37%	0.374	S	S	.	.	G	3₁₀ helix	trans	-59.8	-31.9	175.8	173.4	-97.4	0	0	0	112.4	S280 L284 R296 I299	S280-Y282 PolarHBondContact O-N 3.44Å; S280-Y282 VanDerWaalsContact O-N 3.15Å; S280-Y282 PolarHBondContact OG-N 3.04Å; Y282-L284 VanDerWaalsContact C-N 3.27Å; Y282-L284 PolarHBondContact O-N 3.19Å; Y282-R296 HydrophobicContact CE1-CG 3.99Å; Y282-R296 VanDerWaalsContact CZ-CD 3.42Å; Y282-R296 WeakPolarHBondContact O-CB 3.46Å; Y282-R296 WeakPolarHBondContact O-CD 3.4Å; Y282-I299 PolarHBondContact OH-N 3.2Å
283	N	97.2	Very high	95.8	Very high	8 Å²	8	72.9 Å²	72.9	4%	0.043	38%	0.378	C	S	.	.	G	3₁₀ helix	trans	-78.4	-11.4	-177.1	-57.4	115.3	0	0	0	113.7	L112 S280 H281 L295 R296	L112-N283 HydrophobicContact CD1-CB 3.68Å; L112-N283 HydrophobicContact CD2-CB 4.2Å; L112-N283 HydrophobicContact CG-CB 4.4Å; S280-N283 PolarHBondContact N-OD1 3.29Å; S280-N283 WeakPolarHBondContact O-CB 3.48Å; S280-N283 PolarHBondContact O-N 3.23Å; S280-N283 PolarHBondContact OG-OD1 3.22Å; H281-N283 PolarHBondContact O-N 3.17Å; N283-L295 CarbonylContact O-C 3.57Å; N283-L295 WeakPolarHBondContact O-CA 3.43Å; N283-R296 WeakPolarHBondContact CA-O 3.4Å; N283-R296 PolarHBondContact ND2-O 3.43Å; N283-R296 VanDerWaalsContact ND2-O 3.17Å; N283-R296 PolarHBondContact O-N 3.22Å
284	L	97.3	Very high	95.7	Very high	14 Å²	14	72.3 Å²	72.3	7%	0.073	38%	0.375	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.3	119.9	-170.1	-54.5	172.2	0	0	0	108.5	M109 L112 P262 L263 L266 H281 Y282 Y293 L295	M109-L284 HydrophobicContact CG-CD2 4.32Å; L112-L284 HydrophobicContact CD1-CD2 3.85Å; P262-L284 HydrophobicContact CB-CD1 4.08Å; P262-L284 HydrophobicContact CG-CD1 3.81Å; L263-L284 HydrophobicContact CB-CD1 4.11Å; L263-L284 HydrophobicContact CD1-CD1 4.33Å; L266-L284 HydrophobicContact CD1-CD1 3.82Å; L266-L284 HydrophobicContact CD1-CD2 4.41Å; H281-L284 PolarHBondContact O-N 3.47Å; Y282-L284 VanDerWaalsContact C-N 3.27Å; Y282-L284 PolarHBondContact O-N 3.19Å; L284-Y293 HydrophobicContact CB-CD1 4.07Å; L284-L295 HydrophobicContact CD2-CD2 3.76Å
285	Y	96.2	Very high	95.6	Very high	55 Å²	55	66.2 Å²	66.2	22%	0.216	34%	0.343	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130	136.1	175.8	71.5	-83.6	0	0	0	110	N287 Y293 C294 R296 N302	Y285-N287 HydrophobicContact CE2-CB 4.35Å; Y285-Y293 WeakPolarHBondContact O-CA 3.35Å; Y285-C294 HydrophobicContact CD1-CB 4.26Å; Y285-C294 WeakPolarHBondContact CD1-O 3.42Å; Y285-C294 HydrophobicContact CD2-CB 4.47Å; Y285-C294 HydrophobicContact CE1-CB 3.61Å; Y285-C294 HydrophobicContact CE2-CB 3.86Å; Y285-C294 PolarHBondContact N-O 2.91Å; Y285-C294 PolarHBondContact O-N 2.85Å; Y285-C294 WeakPolarHBondContact OH-CB 3.42Å; Y285-R296 HydrophobicContact CD1-CB 4.18Å; Y285-R296 HydrophobicContact CE1-CB 4.45Å; Y285-N302 HydrophobicContact CE1-CB 4.08Å
286	F	96.7	Very high	95.5	Very high	113 Å²	113	68.8 Å²	68.8	50%	0.496	35%	0.351	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.7	129.8	177.2	-171.1	-103	0	0	0	110.1	A288 Y293	F286-A288 HydrophobicContact CE1-CB 4.49Å; F286-Y293 HydrophobicContact CB-CD1 4.36Å; F286-Y293 HydrophobicContact CB-CE1 4.17Å; F286-Y293 AromaticContact CD2-CD2 3.92Å; F286-Y293 HydrophobicContact CD2-CD2 3.92Å; F286-Y293 AromaticContact CD2-CE2 3.92Å; F286-Y293 HydrophobicContact CD2-CE2 3.92Å; F286-Y293 HydrophobicContact CD2-CG 4.39Å
287	N	95.6	Very high	95	Very high	37 Å²	37	66.8 Å²	66.8	20%	0.198	33%	0.334	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.5	106.7	174.9	-177.3	-49.7	0	0	0	109	Y285 T289 R290 G291 F292 C294	Y285-N287 HydrophobicContact CE2-CB 4.35Å; N287-T289 VanDerWaalsContact C-N 3.31Å; N287-T289 PolarHBondContact O-N 3.27Å; N287-T289 WeakPolarHBondContact OD1-CB 3.27Å; N287-T289 PolarHBondContact OD1-N 2.85Å; N287-T289 VanDerWaalsContact OD1-N 3.11Å; N287-R290 HydrophobicContact CB-CB 4.08Å; N287-R290 HydrophobicContact CB-CG 4.25Å; N287-R290 CarbonylContact O-C 3.6Å; N287-R290 PolarHBondContact O-N 2.97Å; N287-R290 VanDerWaalsContact O-N 3.11Å; N287-R290 PolarHBondContact OD1-N 3.21Å; N287-G291 PolarHBondContact O-N 2.86Å; N287-F292 PolarHBondContact N-O 3.21Å; N287-C294 VanDerWaalsContact CB-SG 3.59Å
288	A	93.7	Very high	94.5	Very high	86 Å²	86	67 Å²	67	71%	0.711	33%	0.33	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60	-37.7	-176.7	0	0	0	0	0	113.1	F286 R290 G291	F286-A288 HydrophobicContact CE1-CB 4.49Å; A288-R290 VanDerWaalsContact C-N 3.32Å; A288-R290 PolarHBondContact O-N 3.15Å; A288-G291 PolarHBondContact O-N 3.27Å
289	T	90.9	Very high	93.6	Very high	140 Å²	140	66.5 Å²	66.5	86%	0.859	34%	0.338	S	S	*	.	T	Hydrogen-bonded Turn	trans	-65.2	-36.2	177	-48.3	0	0	0	0	112.2	N287	N287-T289 VanDerWaalsContact C-N 3.31Å; N287-T289 PolarHBondContact O-N 3.27Å; N287-T289 WeakPolarHBondContact OD1-CB 3.27Å; N287-T289 PolarHBondContact OD1-N 2.85Å; N287-T289 VanDerWaalsContact OD1-N 3.11Å
290	R	89.9	Confident	92.9	Very high	138 Å²	138	72.6 Å²	72.6	52%	0.521	38%	0.375	S	S	.	.	T	Hydrogen-bonded Turn	trans	-82.1	-27.1	176.6	-67	-67.7	-172.8	178	-3	112.5	N287 A288 F292	N287-R290 HydrophobicContact CB-CB 4.08Å; N287-R290 HydrophobicContact CB-CG 4.25Å; N287-R290 CarbonylContact O-C 3.6Å; N287-R290 PolarHBondContact O-N 2.97Å; N287-R290 VanDerWaalsContact O-N 3.11Å; N287-R290 PolarHBondContact OD1-N 3.21Å; A288-R290 VanDerWaalsContact C-N 3.32Å; A288-R290 PolarHBondContact O-N 3.15Å; R290-F292 VanDerWaalsContact C-N 3.26Å; R290-F292 WeakPolarHBondContact O-CD2 3.45Å
291	G	92.6	Very high	92.5	Very high	35 Å²	35	74.1 Å²	74.1	36%	0.361	38%	0.376	S	S	.	.	T	Hydrogen-bonded Turn	trans	72.9	15.1	-171.4	0	0	0	0	0	114.1	N287 A288	N287-G291 PolarHBondContact O-N 2.86Å; A288-G291 PolarHBondContact O-N 3.27Å
292	F	95.1	Very high	92.3	Very high	72 Å²	72	70.8 Å²	70.8	32%	0.316	36%	0.362	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.1	160	-177.1	-65.3	-80	0	0	0	111.8	I259 N287 R290	I259-F292 HydrophobicContact CG1-CE1 4.45Å; I259-F292 HydrophobicContact CG2-CD1 4.05Å; I259-F292 HydrophobicContact CG2-CE1 3.91Å; N287-F292 PolarHBondContact N-O 3.21Å; R290-F292 VanDerWaalsContact C-N 3.26Å; R290-F292 WeakPolarHBondContact O-CD2 3.45Å
293	Y	96.8	Very high	92.2	Very high	59 Å²	59	69.6 Å²	69.6	23%	0.231	36%	0.36	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-65.2	135.7	167.8	-77.3	-93.3	0	0	0	111.9	I259 T260 P262 L284 Y285 F286	I259-Y293 WeakPolarHBondContact O-CD2 3.46Å; T260-Y293 VanDerWaalsContact O-CE2 3.3Å; T260-Y293 WeakPolarHBondContact O-CE2 3.43Å; T260-Y293 PolarHBondContact O-OH 3.39Å; P262-Y293 VanDerWaalsContact CD-CE2 3.48Å; P262-Y293 HydrophobicContact CG-CD1 3.91Å; P262-Y293 HydrophobicContact CG-CD2 3.84Å; P262-Y293 HydrophobicContact CG-CE1 4.19Å; P262-Y293 HydrophobicContact CG-CE2 4.13Å; P262-Y293 HydrophobicContact CG-CG 3.72Å; L284-Y293 HydrophobicContact CB-CD1 4.07Å; Y285-Y293 WeakPolarHBondContact O-CA 3.35Å; F286-Y293 HydrophobicContact CB-CD1 4.36Å; F286-Y293 HydrophobicContact CB-CE1 4.17Å; F286-Y293 AromaticContact CD2-CD2 3.92Å; F286-Y293 HydrophobicContact CD2-CD2 3.92Å; F286-Y293 AromaticContact CD2-CE2 3.92Å; F286-Y293 HydrophobicContact CD2-CE2 3.92Å; F286-Y293 HydrophobicContact CD2-CG 4.39Å
294	C	96.9	Very high	92.1	Very high	2 Å²	2	70.8 Å²	70.8	1%	0.014	37%	0.368	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.9	165.2	170.5	-61.8	0	0	0	0	110.4	Y285 N287 C304	Y285-C294 HydrophobicContact CD1-CB 4.26Å; Y285-C294 WeakPolarHBondContact CD1-O 3.42Å; Y285-C294 HydrophobicContact CD2-CB 4.47Å; Y285-C294 HydrophobicContact CE1-CB 3.61Å; Y285-C294 HydrophobicContact CE2-CB 3.86Å; Y285-C294 PolarHBondContact N-O 2.91Å; Y285-C294 PolarHBondContact O-N 2.85Å; Y285-C294 WeakPolarHBondContact OH-CB 3.42Å; N287-C294 VanDerWaalsContact CB-SG 3.59Å; C294-C304 HydrophobicContact CB-CB 4.01Å; C294-C304 WeakPolarHBondContact CB-SG 3.45Å; C294-C304 VanDerWaalsContact SG-CA 3.55Å; C294-C304 WeakPolarHBondContact SG-CB 3.34Å; C294-C304 CovalentContact SG-SG 2.04Å; C294-C304 PolarHBondContact SG-SG 3.25Å
295	L	96.8	Very high	91.9	Very high	4 Å²	4	72.1 Å²	72.1	2%	0.021	38%	0.375	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.2	134.4	-169.8	-48.9	-178.3	0	0	0	110.9	E108 M109 L112 N283 L284 F297 N302 K303	E108-L295 HydrophobicContact CB-CD1 3.67Å; M109-L295 HydrophobicContact CB-CD2 4.5Å; M109-L295 HydrophobicContact CE-CD2 4.4Å; M109-L295 HydrophobicContact CG-CD2 3.55Å; L112-L295 HydrophobicContact CD1-CD2 4.06Å; L112-L295 HydrophobicContact CD2-CB 4.37Å; N283-L295 CarbonylContact O-C 3.57Å; N283-L295 WeakPolarHBondContact O-CA 3.43Å; L284-L295 HydrophobicContact CD2-CD2 3.76Å; L295-F297 HydrophobicContact CB-CE2 4.04Å; L295-F297 HydrophobicContact CB-CZ 4.49Å; L295-F297 HydrophobicContact CD1-CZ 4.36Å; L295-N302 CarbonylContact O-C 3.53Å; L295-N302 WeakPolarHBondContact O-CA 3.49Å; L295-K303 PolarHBondContact N-O 3.34Å; L295-K303 PolarHBondContact O-N 2.98Å
296	R	94.4	Very high	91.7	Very high	76 Å²	76	72.4 Å²	72.4	29%	0.287	39%	0.389	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.5	115	172.1	-179.9	175.3	-57.1	165.4	1.1	109.6	Y282 N283 Y285 N298 N302	Y282-R296 HydrophobicContact CE1-CG 3.99Å; Y282-R296 VanDerWaalsContact CZ-CD 3.42Å; Y282-R296 WeakPolarHBondContact O-CB 3.46Å; Y282-R296 WeakPolarHBondContact O-CD 3.4Å; N283-R296 WeakPolarHBondContact CA-O 3.4Å; N283-R296 PolarHBondContact ND2-O 3.43Å; N283-R296 VanDerWaalsContact ND2-O 3.17Å; N283-R296 PolarHBondContact O-N 3.22Å; Y285-R296 HydrophobicContact CD1-CB 4.18Å; Y285-R296 HydrophobicContact CE1-CB 4.45Å; R296-N298 WeakPolarHBondContact CG-O 2.95Å; R296-N302 WeakPolarHBondContact CB-OD1 3.15Å; R296-N302 VanDerWaalsContact CG-OD1 3.23Å; R296-N302 WeakPolarHBondContact CG-OD1 3.11Å
297	F	88.2	Confident	91.1	Very high	33 Å²	33	69.8 Å²	69.8	15%	0.145	39%	0.394	C	S	.	.			trans	-91	-39.5	-180	-70.2	-88.7	0	0	0	112.1	L112 L295 F301 K303	L112-F297 HydrophobicContact CD2-CD1 3.78Å; L112-F297 HydrophobicContact CD2-CE1 3.75Å; L112-F297 HydrophobicContact CD2-CG 4.22Å; L112-F297 HydrophobicContact CD2-CZ 4.16Å; L295-F297 HydrophobicContact CB-CE2 4.04Å; L295-F297 HydrophobicContact CB-CZ 4.49Å; L295-F297 HydrophobicContact CD1-CZ 4.36Å; F297-F301 HydrophobicContact CB-CB 4.45Å; F297-F301 HydrophobicContact CB-CD1 3.69Å; F297-F301 HydrophobicContact CB-CE1 4.5Å; F297-F301 AromaticContact CD2-CD1 3.39Å; F297-F301 HydrophobicContact CD2-CD1 3.39Å; F297-F301 AromaticContact CD2-CE1 3.46Å; F297-F301 HydrophobicContact CD2-CE1 3.46Å; F297-F301 VanDerWaalsContact CD2-CE1 3.46Å; F297-F301 HydrophobicContact CD2-CG 4.46Å; F297-F301 HydrophobicContact CE2-CD1 4.21Å; F297-F301 AromaticContact CE2-CE1 3.8Å; F297-F301 HydrophobicContact CE2-CE1 3.8Å; F297-F301 AromaticContact CG-CD1 3.67Å; F297-F301 HydrophobicContact CG-CD1 3.67Å; F297-F301 HydrophobicContact CG-CE1 4Å; F297-F301 PolarHBondContact N-O 2.92Å; F297-K303 HydrophobicContact CD2-CB 4.48Å; F297-K303 HydrophobicContact CE2-CB 3.91Å; F297-K303 HydrophobicContact CE2-CD 4.19Å
298	N	84.1	Confident	90.6	Very high	80 Å²	80	70.5 Å²	70.5	43%	0.428	40%	0.402	S	S	.	.	S	Bend	trans	-154.6	-174.2	175	63.3	46.1	0	0	0	109.2	R296 V300 F301	R296-N298 WeakPolarHBondContact CG-O 2.95Å; N298-V300 PolarHBondContact O-N 2.76Å; N298-V300 PolarHBondContact OD1-N 3.41Å; N298-F301 WeakPolarHBondContact OD1-CB 3.07Å; N298-F301 PolarHBondContact OD1-N 3.11Å
299	I	78.1	Confident	90.5	Very high	150 Å²	150	70.2 Å²	70.2	77%	0.769	38%	0.384	S	S	*	.	S	Bend	trans	-58.2	-31.2	-176.7	-60.6	170.3	0	0	0	112.1	Y282	Y282-I299 PolarHBondContact OH-N 3.2Å
300	V	82.6	Confident	90.3	Very high	133 Å²	133	65.8 Å²	65.8	81%	0.806	37%	0.367	S	S	*	.	S	Bend	trans	-105.3	-27.7	-171.7	-172.9	0	0	0	0	112.4	N298	N298-V300 PolarHBondContact O-N 2.76Å; N298-V300 PolarHBondContact OD1-N 3.41Å
301	F	88.8	Confident	90.4	Very high	79 Å²	79	61.4 Å²	61.4	35%	0.346	35%	0.35	S	S	.	.			trans	-107.4	104.1	-171.7	-170.6	-120.4	0	0	0	112.2	F297 N298	F297-F301 HydrophobicContact CB-CB 4.45Å; F297-F301 HydrophobicContact CB-CD1 3.69Å; F297-F301 HydrophobicContact CB-CE1 4.5Å; F297-F301 AromaticContact CD2-CD1 3.39Å; F297-F301 HydrophobicContact CD2-CD1 3.39Å; F297-F301 AromaticContact CD2-CE1 3.46Å; F297-F301 HydrophobicContact CD2-CE1 3.46Å; F297-F301 VanDerWaalsContact CD2-CE1 3.46Å; F297-F301 HydrophobicContact CD2-CG 4.46Å; F297-F301 HydrophobicContact CE2-CD1 4.21Å; F297-F301 AromaticContact CE2-CE1 3.8Å; F297-F301 HydrophobicContact CE2-CE1 3.8Å; F297-F301 AromaticContact CG-CD1 3.67Å; F297-F301 HydrophobicContact CG-CD1 3.67Å; F297-F301 HydrophobicContact CG-CE1 4Å; F297-F301 PolarHBondContact N-O 2.92Å; N298-F301 WeakPolarHBondContact OD1-CB 3.07Å; N298-F301 PolarHBondContact OD1-N 3.11Å
302	N	91.5	Very high	90.3	Very high	69 Å²	69	67.3 Å²	67.3	37%	0.369	37%	0.371	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.5	148.6	171.9	-64.8	-43.1	0	0	0	110.3	Y285 L295 R296	Y285-N302 HydrophobicContact CE1-CB 4.08Å; L295-N302 CarbonylContact O-C 3.53Å; L295-N302 WeakPolarHBondContact O-CA 3.49Å; R296-N302 WeakPolarHBondContact CB-OD1 3.15Å; R296-N302 VanDerWaalsContact CG-OD1 3.23Å; R296-N302 WeakPolarHBondContact CG-OD1 3.11Å
303	K	93.2	Very high	90.4	Very high	79 Å²	79	67 Å²	67	34%	0.343	37%	0.371	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-147.2	123.9	-179.1	-176.2	-176.2	176.6	-172.5	0	110.8	E108 L295 F297	E108-K303 IonicContact OE2-NZ 3.44Å; E108-K303 PolarHBondContact OE2-NZ 3.37Å; L295-K303 PolarHBondContact N-O 3.34Å; L295-K303 PolarHBondContact O-N 2.98Å; F297-K303 HydrophobicContact CD2-CB 4.48Å; F297-K303 HydrophobicContact CE2-CB 3.91Å; F297-K303 HydrophobicContact CE2-CD 4.19Å
304	C	94.9	Very high	90.3	Very high	33 Å²	33	66.3 Å²	66.3	22%	0.223	37%	0.374	C	S	.	.	P	Polyproline II helix	trans	-89.6	159.1	163.3	-63.8	0	0	0	0	110.4	C294	C294-C304 HydrophobicContact CB-CB 4.01Å; C294-C304 WeakPolarHBondContact CB-SG 3.45Å; C294-C304 VanDerWaalsContact SG-CA 3.55Å; C294-C304 WeakPolarHBondContact SG-CB 3.34Å; C294-C304 CovalentContact SG-SG 2.04Å; C294-C304 PolarHBondContact SG-SG 3.25Å
305	L	93.5	Very high	90.3	Very high	42 Å²	42	75 Å²	75	22%	0.22	42%	0.415	C	S	.	.	P	Polyproline II helix	trans	-63.8	156.9	170.2	-60.6	177.6	0	0	0	110.6	A105 E108 K309	A105-L305 HydrophobicContact CB-CD1 3.55Å; E108-L305 HydrophobicContact CB-CD2 3.99Å; E108-L305 HydrophobicContact CG-CD2 3.86Å; L305-K309 HydrophobicContact CB-CB 4.01Å; L305-K309 HydrophobicContact CB-CG 4.05Å; L305-K309 HydrophobicContact CD1-CB 4.47Å
306	A	90.8	Very high	90.3	Very high	61 Å²	61	75.8 Å²	75.8	50%	0.504	42%	0.419	S	S	.	.	P	Polyproline II helix	trans	-57.2	151.9	-179.5	0	0	0	0	0	111.8	S308 K309	A306-S308 PolarHBondContact O-N 3.03Å; A306-K309 WeakPolarHBondContact O-CB 3.4Å; A306-K309 PolarHBondContact O-N 3.23Å
307	G	84.1	Confident	90.4	Very high	58 Å²	58	75.9 Å²	75.9	60%	0.598	43%	0.425	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.2	-18.4	-180	0	0	0	0	0	114.6	K309	G307-K309 PolarHBondContact O-N 3.41Å
308	S	84.8	Confident	90.9	Very high	52 Å²	52	79 Å²	79	36%	0.364	45%	0.449	S	S	.	.	T	Hydrogen-bonded Turn	trans	-73.3	5.6	169.8	65.7	0	0	0	0	114.2	A306 R311	A306-S308 PolarHBondContact O-N 3.03Å; S308-R311 PolarHBondContact O-NH1 3.25Å
309	K	91.6	Very high	91.6	Very high	80 Å²	80	78.7 Å²	78.7	35%	0.348	45%	0.453	S	S	.	.	S	Bend	trans	-116.8	132.1	176.1	-52.6	-58.5	173.6	-173.2	0	108.1	L305 A306 G307	L305-K309 HydrophobicContact CB-CB 4.01Å; L305-K309 HydrophobicContact CB-CG 4.05Å; L305-K309 HydrophobicContact CD1-CB 4.47Å; A306-K309 WeakPolarHBondContact O-CB 3.4Å; A306-K309 PolarHBondContact O-N 3.23Å; G307-K309 PolarHBondContact O-N 3.41Å
310	G	88.3	Confident	92.5	Very high	47 Å²	47	72.2 Å²	72.2	49%	0.485	42%	0.421	S	S	.	.	S	Bend	trans	80.8	42.7	-174.2	0	0	0	0	0	114.1
311	R	91.4	Very high	93.3	Very high	45 Å²	45	67.3 Å²	67.3	17%	0.17	39%	0.391	C	S	.	.	P	Polyproline II helix	trans	-65.6	148.6	177.4	-64.9	170.1	169.4	87.4	5.6	111	T194 E198 S308 H313	T194-R311 HydrophobicContact CG2-CB 4.01Å; E198-R311 VanDerWaalsContact CD-CD 3.47Å; E198-R311 WeakPolarHBondContact OE1-CD 3.31Å; E198-R311 WeakPolarHBondContact OE1-CG 3.49Å; E198-R311 IonicContact OE1-NE 3.7Å; E198-R311 PolarHBondContact OE1-NE 3.16Å; E198-R311 VanDerWaalsContact OE1-NE 3.15Å; E198-R311 WeakPolarHBondContact OE2-CD 3.43Å; E198-R311 IonicContact OE2-CZ 3.87Å; E198-R311 IonicContact OE2-NE 3.37Å; E198-R311 PolarHBondContact OE2-NE 2.97Å; E198-R311 IonicContact OE2-NH2 3.45Å; E198-R311 PolarHBondContact OE2-NH2 2.96Å; S308-R311 PolarHBondContact O-NH1 3.25Å; R311-H313 PolarHBondContact O-CD2 2.87Å; R311-H313 PolarHBondContact O-N 3.31Å
312	I	91.3	Very high	93.7	Very high	159 Å²	159	66.3 Å²	66.3	82%	0.815	40%	0.397	S	S	*	.	P	Polyproline II helix	trans	-63.9	125.4	167.3	-59.7	174.1	0	0	0	107.8	T194	T194-I312 WeakPolarHBondContact CG2-O 3.45Å
313	H	95.6	Very high	94.1	Very high	65 Å²	65	66.1 Å²	66.1	30%	0.301	39%	0.393	S	S	.	.	P	Polyproline II helix	trans	-82.4	144.5	175.4	-69.4	179.3	0	0	0	109.6	V190 S191 R311	V190-H313 HydrophobicContact CG1-CB 3.92Å; S191-H313 WeakPolarHBondContact CB-NE2 3.42Å; S191-H313 PolarHBondContact OG-NE2 3.35Å; R311-H313 PolarHBondContact O-CD2 2.87Å; R311-H313 PolarHBondContact O-N 3.31Å
314	P	95.2	Very high	94.3	Very high	46 Å²	46	62.3 Å²	62.3	30%	0.299	38%	0.376	S	S	.	.	P	Polyproline II helix	trans	-62.4	151.7	170.2	32.6	-39.1	0	0	0	109.7	V190 Y193 T194	V190-P314 HydrophobicContact CG1-CG 4.17Å; Y193-P314 HydrophobicContact CD1-CG 3.93Å; Y193-P314 HydrophobicContact CE1-CG 3.8Å; T194-P314 WeakPolarHBondContact OG1-CD 3.49Å
315	E	96.3	Very high	94.5	Very high	185 Å²	185	65.1 Å²	65.1	86%	0.864	38%	0.382	S	S	*	.	P	Polyproline II helix	trans	-65.4	133.8	164.1	-168.9	173	-173.3	0	0	109
316	V	97.3	Very high	94.8	Very high	19 Å²	19	71.4 Å²	71.4	12%	0.115	41%	0.408	C	S	.	.			trans	-120.3	137.4	178.5	178.1	0	0	0	0	107.5	V190 F210 E211 V320 V321	V190-V316 HydrophobicContact CG1-CG2 4.29Å; V190-V316 HydrophobicContact CG2-CG2 3.93Å; F210-V316 HydrophobicContact CB-CG2 4.41Å; F210-V316 HydrophobicContact CD1-CB 4.44Å; F210-V316 HydrophobicContact CD1-CG1 3.64Å; F210-V316 HydrophobicContact CD1-CG2 3.84Å; F210-V316 HydrophobicContact CE1-CG1 4.04Å; F210-V316 HydrophobicContact CE1-CG2 4.48Å; F210-V316 HydrophobicContact CG-CG2 4.33Å; E211-V316 HydrophobicContact CG-CG1 4.5Å; E211-V316 WeakPolarHBondContact OE1-CA 3.4Å; V316-V320 HydrophobicContact CG1-CB 4.26Å; V316-V320 HydrophobicContact CG1-CG1 4.12Å; V316-V321 HydrophobicContact CB-CG2 4.05Å; V316-V321 HydrophobicContact CG1-CG2 3.85Å
317	D	97.8	Very high	95.1	Very high	79 Å²	79	70.7 Å²	70.7	42%	0.422	39%	0.394	S	S	.	.			trans	-48.8	124.1	178	-171.7	-44.5	0	0	0	111.4	E211 S319 V320 V321	E211-D317 HydrophobicContact CG-CB 4.18Å; E211-D317 PolarHBondContact OE1-N 2.92Å; E211-D317 VanDerWaalsContact OE1-N 3.1Å; D317-S319 VanDerWaalsContact CG-OG 3.24Å; D317-S319 PolarHBondContact O-N 3.43Å; D317-S319 VanDerWaalsContact O-N 3.15Å; D317-S319 VanDerWaalsContact OD1-CB 3.29Å; D317-S319 WeakPolarHBondContact OD1-CB 3.37Å; D317-S319 PolarHBondContact OD1-N 2.97Å; D317-S319 PolarHBondContact OD1-OG 2.89Å; D317-V320 HydrophobicContact CB-CB 4.24Å; D317-V320 HydrophobicContact CB-CG2 4Å; D317-V320 WeakPolarHBondContact O-CA 3.28Å; D317-V320 WeakPolarHBondContact O-CB 3.22Å; D317-V320 PolarHBondContact O-N 3.18Å; D317-V321 PolarHBondContact O-N 3.04Å
318	P	98.2	Very high	95.8	Very high	97 Å²	97	68 Å²	68	63%	0.63	37%	0.365	S	S	*	.	H	α-helix	trans	-54.3	-32.9	179.9	-28.2	35.7	0	0	0	114.2	V321 A322	P318-V321 PolarHBondContact O-N 3.31Å; P318-A322 WeakPolarHBondContact O-CB 3.43Å; P318-A322 PolarHBondContact O-N 3.42Å
319	S	97.8	Very high	96.5	Very high	75 Å²	75	69.4 Å²	69.4	52%	0.524	37%	0.366	S	S	.	.	H	α-helix	trans	-66.2	-37.8	176.5	69.7	0	0	0	0	111.9	D317 A322 K323	D317-S319 VanDerWaalsContact CG-OG 3.24Å; D317-S319 PolarHBondContact O-N 3.43Å; D317-S319 VanDerWaalsContact O-N 3.15Å; D317-S319 VanDerWaalsContact OD1-CB 3.29Å; D317-S319 WeakPolarHBondContact OD1-CB 3.37Å; D317-S319 PolarHBondContact OD1-N 2.97Å; D317-S319 PolarHBondContact OD1-OG 2.89Å; S319-A322 PolarHBondContact O-N 3.16Å; S319-K323 WeakPolarHBondContact O-CB 3.23Å; S319-K323 PolarHBondContact O-N 3.11Å
320	V	98.2	Very high	96.8	Very high	14 Å²	14	69.3 Å²	69.3	9%	0.085	37%	0.373	C	S	.	.	H	α-helix	trans	-69.9	-40.8	175.6	173.7	0	0	0	0	110.6	F210 E211 I215 V316 D317 K323 L324	F210-V320 HydrophobicContact CE1-CG1 4.47Å; E211-V320 HydrophobicContact CB-CG2 4.22Å; E211-V320 HydrophobicContact CG-CB 4.27Å; E211-V320 HydrophobicContact CG-CG1 4.3Å; E211-V320 HydrophobicContact CG-CG2 3.79Å; I215-V320 HydrophobicContact CD1-CG1 4.14Å; I215-V320 HydrophobicContact CG1-CG1 3.93Å; I215-V320 HydrophobicContact CG1-CG2 4.09Å; V316-V320 HydrophobicContact CG1-CB 4.26Å; V316-V320 HydrophobicContact CG1-CG1 4.12Å; D317-V320 HydrophobicContact CB-CB 4.24Å; D317-V320 HydrophobicContact CB-CG2 4Å; D317-V320 WeakPolarHBondContact O-CA 3.28Å; D317-V320 WeakPolarHBondContact O-CB 3.22Å; D317-V320 PolarHBondContact O-N 3.18Å; V320-K323 PolarHBondContact O-N 3.01Å; V320-L324 HydrophobicContact CG1-CD1 4.03Å; V320-L324 WeakPolarHBondContact O-CB 3.36Å; V320-L324 WeakPolarHBondContact O-CG 3.43Å; V320-L324 PolarHBondContact O-N 2.84Å
321	V	98.6	Very high	97.3	Very high	30 Å²	30	70.3 Å²	70.3	18%	0.182	37%	0.365	C	S	.	.	H	α-helix	trans	-59.9	-47.4	173.5	175.2	0	0	0	0	110.8	T186 V316 D317 P318 K323 L324 R325	T186-V321 HydrophobicContact CG2-CG1 4.32Å; V316-V321 HydrophobicContact CB-CG2 4.05Å; V316-V321 HydrophobicContact CG1-CG2 3.85Å; D317-V321 PolarHBondContact O-N 3.04Å; P318-V321 PolarHBondContact O-N 3.31Å; V321-K323 PolarHBondContact O-N 3.49Å; V321-L324 PolarHBondContact O-N 3.19Å; V321-R325 WeakPolarHBondContact O-CG 3.18Å; V321-R325 PolarHBondContact O-N 3.22Å
322	A	98.3	Very high	97.7	Very high	58 Å²	58	68.4 Å²	68.4	48%	0.479	36%	0.358	S	S	.	.	H	α-helix	trans	-61.5	-43.6	177.9	0	0	0	0	0	112	P318 S319 L324 R325 K326	P318-A322 WeakPolarHBondContact O-CB 3.43Å; P318-A322 PolarHBondContact O-N 3.42Å; S319-A322 PolarHBondContact O-N 3.16Å; A322-L324 PolarHBondContact O-N 3.45Å; A322-R325 PolarHBondContact O-N 3.24Å; A322-K326 WeakPolarHBondContact O-CB 3.45Å; A322-K326 PolarHBondContact O-N 3.33Å
323	K	98.5	Very high	98	Very high	64 Å²	64	65.2 Å²	65.2	28%	0.278	34%	0.339	S	S	.	.	H	α-helix	trans	-62.3	-42	176.2	179	164.7	-81.2	-155.1	0	112	I215 C220 E221 V222 S319 V320 V321 F327	I215-K323 HydrophobicContact CD1-CD 3.96Å; I215-K323 HydrophobicContact CD1-CG 4.34Å; C220-K323 WeakPolarHBondContact O-CD 3.44Å; C220-K323 PolarHBondContact O-NZ 3.06Å; E221-K323 IonicContact OE1-NZ 2.78Å; E221-K323 PolarHBondContact OE1-NZ 2.93Å; E221-K323 IonicContact OE2-NZ 3.89Å; V222-K323 HydrophobicContact CG2-CD 4.47Å; V222-K323 HydrophobicContact CG2-CG 3.83Å; S319-K323 WeakPolarHBondContact O-CB 3.23Å; S319-K323 PolarHBondContact O-N 3.11Å; V320-K323 PolarHBondContact O-N 3.01Å; V321-K323 PolarHBondContact O-N 3.49Å; K323-F327 WeakPolarHBondContact O-CB 3.45Å; K323-F327 PolarHBondContact O-N 3.24Å
324	L	98.7	Very high	98.2	Very high	0 Å²	0	66.4 Å²	66.4	0%	0	34%	0.344	C	S	.	.	H	α-helix	trans	-65.9	-44.6	176	-75.9	168.7	0	0	0	112.8	T186 F210 A214 V222 V229 V320 V321 A322 F327 F328	T186-L324 HydrophobicContact CG2-CB 3.84Å; T186-L324 HydrophobicContact CG2-CD1 3.89Å; F210-L324 HydrophobicContact CE1-CD1 3.52Å; F210-L324 HydrophobicContact CZ-CD1 3.77Å; A214-L324 HydrophobicContact CB-CD1 4.42Å; V222-L324 HydrophobicContact CB-CD2 4.46Å; V222-L324 HydrophobicContact CG1-CD2 3.72Å; V222-L324 HydrophobicContact CG2-CD2 3.88Å; V222-L324 HydrophobicContact CG2-CG 4.48Å; V229-L324 HydrophobicContact CG2-CD2 4.09Å; V320-L324 HydrophobicContact CG1-CD1 4.03Å; V320-L324 WeakPolarHBondContact O-CB 3.36Å; V320-L324 WeakPolarHBondContact O-CG 3.43Å; V320-L324 PolarHBondContact O-N 2.84Å; V321-L324 PolarHBondContact O-N 3.19Å; A322-L324 PolarHBondContact O-N 3.45Å; L324-F327 WeakPolarHBondContact O-CB 3.4Å; L324-F327 PolarHBondContact O-N 3.14Å; L324-F328 HydrophobicContact CB-CD2 4.36Å; L324-F328 HydrophobicContact CB-CE2 4.14Å; L324-F328 HydrophobicContact CD2-CE2 4.05Å; L324-F328 HydrophobicContact CD2-CZ 4.44Å; L324-F328 WeakPolarHBondContact O-CD2 3.43Å; L324-F328 PolarHBondContact O-N 3.27Å
325	R	98.7	Very high	98.3	Very high	92 Å²	92	64.3 Å²	64.3	35%	0.347	33%	0.33	S	S	.	.	H	α-helix	trans	-60.1	-47.1	176.2	-74.1	176.2	177.5	172.7	-2.6	111.6	V321 A322 F327 F328 H329 P346	V321-R325 WeakPolarHBondContact O-CG 3.18Å; V321-R325 PolarHBondContact O-N 3.22Å; A322-R325 PolarHBondContact O-N 3.24Å; R325-F327 VanDerWaalsContact C-N 3.29Å; R325-F327 PolarHBondContact O-N 2.9Å; R325-F328 PolarHBondContact O-N 3.46Å; R325-H329 PolarHBondContact O-N 3.5Å; R325-P346 HydrophobicContact CG-CG 4.38Å; R325-P346 VanDerWaalsContact NE-CG 3.3Å
326	K	98.6	Very high	98.4	Very high	173 Å²	173	56.1 Å²	56.1	75%	0.752	29%	0.291	S	S	*	.	H	α-helix	trans	-57.2	-43	174.1	-174.6	178.4	-179.7	-179.6	0	111.8	A322 P330	A322-K326 WeakPolarHBondContact O-CB 3.45Å; A322-K326 PolarHBondContact O-N 3.33Å; K326-P330 WeakPolarHBondContact O-CD 3.34Å
327	F	98.7	Very high	98.5	Very high	47 Å²	47	62.9 Å²	62.9	21%	0.206	32%	0.321	C	S	.	.	H	α-helix	trans	-63.3	-43.3	176.5	168.5	-95.1	0	0	0	112.9	V222 T224 V229 I233 K323 L324 R325 P330 F331	V222-F327 HydrophobicContact CB-CB 4.21Å; V222-F327 HydrophobicContact CB-CD1 4.3Å; V222-F327 HydrophobicContact CB-CD2 3.87Å; V222-F327 HydrophobicContact CB-CE2 4.35Å; V222-F327 HydrophobicContact CB-CG 3.85Å; V222-F327 HydrophobicContact CG1-CB 4.48Å; V222-F327 HydrophobicContact CG1-CD1 3.74Å; V222-F327 HydrophobicContact CG1-CD2 4.07Å; V222-F327 HydrophobicContact CG1-CE1 3.94Å; V222-F327 HydrophobicContact CG1-CE2 4.26Å; V222-F327 HydrophobicContact CG1-CG 3.82Å; V222-F327 HydrophobicContact CG1-CZ 4.2Å; V222-F327 HydrophobicContact CG2-CB 3.64Å; V222-F327 HydrophobicContact CG2-CD1 4.42Å; V222-F327 HydrophobicContact CG2-CD2 4.23Å; V222-F327 HydrophobicContact CG2-CG 3.84Å; T224-F327 HydrophobicContact CG2-CE2 3.79Å; T224-F327 HydrophobicContact CG2-CZ 3.62Å; V229-F327 HydrophobicContact CG1-CE1 3.84Å; V229-F327 HydrophobicContact CG1-CZ 4.39Å; I233-F327 HydrophobicContact CD1-CE1 4.18Å; I233-F327 HydrophobicContact CD1-CZ 3.98Å; I233-F327 HydrophobicContact CG1-CE1 4.3Å; K323-F327 WeakPolarHBondContact O-CB 3.45Å; K323-F327 PolarHBondContact O-N 3.24Å; L324-F327 WeakPolarHBondContact O-CB 3.4Å; L324-F327 PolarHBondContact O-N 3.14Å; R325-F327 VanDerWaalsContact C-N 3.29Å; R325-F327 PolarHBondContact O-N 2.9Å; F327-P330 WeakPolarHBondContact O-CD 3.38Å; F327-F331 HydrophobicContact CE1-CE2 4.16Å; F327-F331 AromaticContact CE2-CE2 4Å; F327-F331 HydrophobicContact CE2-CE2 4Å; F327-F331 AromaticContact CZ-CE2 3.77Å; F327-F331 HydrophobicContact CZ-CE2 3.77Å; F327-F331 WeakPolarHBondContact O-CD2 3.26Å
328	F	98.8	Very high	98.5	Very high	0 Å²	0	61.2 Å²	61.2	0%	0	31%	0.312	C	S	.	.	H	α-helix	trans	-75.6	-25.9	-178.8	-69.4	-57.2	0	0	0	113.4	P185 V229 I233 L324 R325 F331 N332	P185-F328 HydrophobicContact CB-CB 3.96Å; P185-F328 HydrophobicContact CB-CD1 3.9Å; P185-F328 HydrophobicContact CB-CD2 3.53Å; P185-F328 HydrophobicContact CB-CE1 4.28Å; P185-F328 HydrophobicContact CB-CE2 3.94Å; P185-F328 HydrophobicContact CB-CG 3.53Å; P185-F328 HydrophobicContact CB-CZ 4.3Å; P185-F328 HydrophobicContact CG-CB 4.23Å; P185-F328 HydrophobicContact CG-CG 4.3Å; V229-F328 HydrophobicContact CG1-CE1 4.31Å; V229-F328 HydrophobicContact CG1-CZ 4.1Å; I233-F328 HydrophobicContact CG1-CE1 4.13Å; L324-F328 HydrophobicContact CB-CD2 4.36Å; L324-F328 HydrophobicContact CB-CE2 4.14Å; L324-F328 HydrophobicContact CD2-CE2 4.05Å; L324-F328 HydrophobicContact CD2-CZ 4.44Å; L324-F328 WeakPolarHBondContact O-CD2 3.43Å; L324-F328 PolarHBondContact O-N 3.27Å; R325-F328 PolarHBondContact O-N 3.46Å; F328-F331 WeakPolarHBondContact O-CA 3.35Å; F328-F331 WeakPolarHBondContact O-CB 3.45Å; F328-F331 PolarHBondContact O-N 3.15Å; F328-N332 PolarHBondContact O-N 3.44Å; F328-N332 PolarHBondContact O-OD1 3.09Å
329	H	98.6	Very high	98.4	Very high	83 Å²	83	57.9 Å²	57.9	38%	0.384	29%	0.29	S	S	.	.	H	α-helix	trans	-46.1	-54.4	-175.3	-169.6	86.1	0	0	0	115	R325 F331 N332 Q333	R325-H329 PolarHBondContact O-N 3.5Å; H329-F331 VanDerWaalsContact C-N 3.29Å; H329-F331 PolarHBondContact O-N 3.42Å; H329-N332 WeakPolarHBondContact O-CB 3.48Å; H329-N332 PolarHBondContact O-N 3.42Å; H329-N332 VanDerWaalsContact O-N 3.13Å; H329-Q333 PolarHBondContact CE1-NE2 3.05Å; H329-Q333 VanDerWaalsContact CE1-NE2 3.29Å; H329-Q333 PolarHBondContact NE2-NE2 3.28Å; H329-Q333 WeakPolarHBondContact O-CG 3.46Å; H329-Q333 PolarHBondContact O-N 3.15Å
330	P	98.6	Very high	98.4	Very high	77 Å²	77	57.9 Å²	57.9	50%	0.5	30%	0.302	S	S	.	.	H	α-helix	trans	-62.6	-34.8	179.2	24.7	-35.3	0	0	0	113.1	K326 F327 K334	K326-P330 WeakPolarHBondContact O-CD 3.34Å; F327-P330 WeakPolarHBondContact O-CD 3.38Å; P330-K334 PolarHBondContact O-N 3.13Å
331	F	98.6	Very high	98.3	Very high	69 Å²	69	60 Å²	60	30%	0.303	31%	0.308	S	S	.	.	H	α-helix	trans	-70.5	-34.4	176.3	-58.7	-70.2	0	0	0	112.1	I233 T235 F327 F328 H329 F335	I233-F331 HydrophobicContact CG2-CB 4.18Å; I233-F331 HydrophobicContact CG2-CD1 3.58Å; I233-F331 HydrophobicContact CG2-CD2 4.24Å; I233-F331 HydrophobicContact CG2-CE1 3.95Å; I233-F331 HydrophobicContact CG2-CG 3.74Å; I233-F331 HydrophobicContact CG2-CZ 4.43Å; T235-F331 PolarHBondContact OG1-O 2.97Å; F327-F331 HydrophobicContact CE1-CE2 4.16Å; F327-F331 AromaticContact CE2-CE2 4Å; F327-F331 HydrophobicContact CE2-CE2 4Å; F327-F331 AromaticContact CZ-CE2 3.77Å; F327-F331 HydrophobicContact CZ-CE2 3.77Å; F327-F331 WeakPolarHBondContact O-CD2 3.26Å; F328-F331 WeakPolarHBondContact O-CA 3.35Å; F328-F331 WeakPolarHBondContact O-CB 3.45Å; F328-F331 PolarHBondContact O-N 3.15Å; H329-F331 VanDerWaalsContact C-N 3.29Å; H329-F331 PolarHBondContact O-N 3.42Å; F331-F335 WeakPolarHBondContact O-CB 3.3Å; F331-F335 PolarHBondContact O-N 3.42Å
332	N	98.7	Very high	98.3	Very high	4 Å²	4	62.8 Å²	62.8	2%	0.021	33%	0.325	C	S	.	.	H	α-helix	trans	-65.9	-48	176.3	-64	-13.3	0	0	0	110.8	P185 F328 H329 K334 F335 Y336 W345	P185-N332 VanDerWaalsContact CG-OD1 3.27Å; P185-N332 WeakPolarHBondContact CG-OD1 3.37Å; F328-N332 PolarHBondContact O-N 3.44Å; F328-N332 PolarHBondContact O-OD1 3.09Å; H329-N332 WeakPolarHBondContact O-CB 3.48Å; H329-N332 PolarHBondContact O-N 3.42Å; H329-N332 VanDerWaalsContact O-N 3.13Å; N332-K334 VanDerWaalsContact C-N 3.3Å; N332-K334 PolarHBondContact O-N 3.37Å; N332-F335 WeakPolarHBondContact O-CA 3.36Å; N332-F335 WeakPolarHBondContact O-CB 3.23Å; N332-F335 PolarHBondContact O-N 3.48Å; N332-Y336 HydrophobicContact CB-CE1 4.36Å; N332-Y336 HydrophobicContact CB-CE2 4.2Å; N332-Y336 WeakPolarHBondContact O-CD1 3.43Å; N332-Y336 WeakPolarHBondContact O-CD2 3.36Å; N332-Y336 PolarHBondContact O-N 3.47Å; N332-W345 HydrophobicContact CB-CE3 4.1Å
333	Q	98.6	Very high	98.1	Very high	92 Å²	92	60.6 Å²	60.6	43%	0.43	31%	0.305	S	S	.	.	H	α-helix	trans	-57.6	-45.1	177.2	-63.7	-53.8	-28.7	0	0	111.6	H329 F335 Y336 Q337	H329-Q333 PolarHBondContact CE1-NE2 3.05Å; H329-Q333 VanDerWaalsContact CE1-NE2 3.29Å; H329-Q333 PolarHBondContact NE2-NE2 3.28Å; H329-Q333 WeakPolarHBondContact O-CG 3.46Å; H329-Q333 PolarHBondContact O-N 3.15Å; Q333-F335 VanDerWaalsContact C-N 3.32Å; Q333-F335 PolarHBondContact O-N 3.31Å; Q333-Y336 PolarHBondContact O-N 3.02Å; Q333-Q337 PolarHBondContact O-N 3.42Å
334	K	98.6	Very high	98	Very high	91 Å²	91	63.9 Å²	63.9	40%	0.396	33%	0.326	S	S	.	.	H	α-helix	trans	-63.8	-37	175.3	-172.8	165.9	169.9	-175.2	0	112.6	T235 E239 P330 N332 Y336 Q337 I338	T235-K334 HydrophobicContact CG2-CB 4.2Å; T235-K334 HydrophobicContact CG2-CD 3.69Å; T235-K334 HydrophobicContact CG2-CG 3.69Å; E239-K334 WeakPolarHBondContact OE1-CE 3.37Å; E239-K334 IonicContact OE1-NZ 2.67Å; E239-K334 PolarHBondContact OE1-NZ 3.4Å; P330-K334 PolarHBondContact O-N 3.13Å; N332-K334 VanDerWaalsContact C-N 3.3Å; N332-K334 PolarHBondContact O-N 3.37Å; K334-Y336 VanDerWaalsContact C-N 3.35Å; K334-Q337 PolarHBondContact O-N 3.49Å; K334-I338 HydrophobicContact CG-CD1 3.97Å; K334-I338 VanDerWaalsContact O-CG1 3.26Å; K334-I338 WeakPolarHBondContact O-CG1 3.4Å; K334-I338 PolarHBondContact O-N 3.04Å
335	F	98.7	Very high	97.9	Very high	1 Å²	1	64.8 Å²	64.8	0%	0.004	33%	0.329	C	S	.	.	H	α-helix	trans	-63.8	-42	175.5	-173.8	-105.2	0	0	0	111.3	V182 T235 L238 I252 F331 N332 Q333 I338 T339 F343 W345	V182-F335 HydrophobicContact CG1-CE1 4.37Å; V182-F335 HydrophobicContact CG1-CZ 3.96Å; V182-F335 HydrophobicContact CG2-CE1 4.12Å; V182-F335 HydrophobicContact CG2-CZ 4.42Å; T235-F335 VanDerWaalsContact OG1-CA 3.27Å; T235-F335 WeakPolarHBondContact OG1-CA 3.36Å; T235-F335 VanDerWaalsContact OG1-CB 3.29Å; T235-F335 WeakPolarHBondContact OG1-CB 3.43Å; T235-F335 PolarHBondContact OG1-N 3.05Å; T235-F335 VanDerWaalsContact OG1-N 3.08Å; L238-F335 HydrophobicContact CB-CE2 4.46Å; L238-F335 HydrophobicContact CD2-CD2 3.98Å; L238-F335 HydrophobicContact CD2-CE2 3.71Å; I252-F335 HydrophobicContact CD1-CZ 4.42Å; I252-F335 HydrophobicContact CG1-CZ 4.48Å; I252-F335 HydrophobicContact CG2-CE1 3.96Å; I252-F335 HydrophobicContact CG2-CZ 3.78Å; F331-F335 WeakPolarHBondContact O-CB 3.3Å; F331-F335 PolarHBondContact O-N 3.42Å; N332-F335 WeakPolarHBondContact O-CA 3.36Å; N332-F335 WeakPolarHBondContact O-CB 3.23Å; N332-F335 PolarHBondContact O-N 3.48Å; Q333-F335 VanDerWaalsContact C-N 3.32Å; Q333-F335 PolarHBondContact O-N 3.31Å; F335-I338 PolarHBondContact O-N 3.48Å; F335-T339 HydrophobicContact CD1-CG2 4.35Å; F335-T339 HydrophobicContact CD2-CG2 4.19Å; F335-T339 HydrophobicContact CE1-CG2 4.06Å; F335-T339 HydrophobicContact CE2-CG2 3.9Å; F335-T339 HydrophobicContact CG-CG2 4.41Å; F335-T339 HydrophobicContact CZ-CG2 3.83Å; F335-T339 WeakPolarHBondContact O-CB 3.46Å; F335-T339 VanDerWaalsContact O-CG2 3.25Å; F335-T339 WeakPolarHBondContact O-CG2 3.32Å; F335-T339 PolarHBondContact O-N 2.99Å; F335-T339 PolarHBondContact O-OG1 3.24Å; F335-F343 HydrophobicContact CD1-CD2 4.44Å; F335-F343 HydrophobicContact CD1-CE2 4.12Å; F335-F343 HydrophobicContact CE1-CD2 4.34Å; F335-F343 AromaticContact CE1-CE2 3.7Å; F335-F343 HydrophobicContact CE1-CE2 3.7Å; F335-F343 HydrophobicContact CE1-CZ 4.21Å; F335-W345 HydrophobicContact CD1-CH2 4.17Å; F335-W345 HydrophobicContact CD1-CZ3 4.23Å; F335-W345 HydrophobicContact CE1-CH2 4.17Å
336	Y	98.6	Very high	97.7	Very high	13 Å²	13	64.8 Å²	64.8	5%	0.051	34%	0.341	C	S	.	.	H	α-helix	trans	-64.9	-42.9	178.1	-53.9	-21.3	0	0	0	111.3	N332 Q333 K334 T339 G340 R341 T342 F343 W345	N332-Y336 HydrophobicContact CB-CE1 4.36Å; N332-Y336 HydrophobicContact CB-CE2 4.2Å; N332-Y336 WeakPolarHBondContact O-CD1 3.43Å; N332-Y336 WeakPolarHBondContact O-CD2 3.36Å; N332-Y336 PolarHBondContact O-N 3.47Å; Q333-Y336 PolarHBondContact O-N 3.02Å; K334-Y336 VanDerWaalsContact C-N 3.35Å; Y336-T339 PolarHBondContact O-N 3.48Å; Y336-G340 WeakPolarHBondContact O-CA 3.49Å; Y336-G340 PolarHBondContact O-N 3.47Å; Y336-R341 WeakPolarHBondContact CA-O 3.42Å; Y336-R341 WeakPolarHBondContact CD1-O 3.5Å; Y336-R341 PolarHBondContact O-N 3.36Å; Y336-T342 HydrophobicContact CD2-CG2 3.98Å; Y336-T342 HydrophobicContact CE2-CG2 4.14Å; Y336-T342 HydrophobicContact CG-CG2 4.48Å; Y336-F343 AromaticContact CD1-CD2 3.62Å; Y336-F343 HydrophobicContact CD1-CD2 3.62Å; Y336-F343 HydrophobicContact CD1-CE2 4.3Å; Y336-F343 HydrophobicContact CE1-CB 3.88Å; Y336-F343 AromaticContact CE1-CD2 3.47Å; Y336-F343 HydrophobicContact CE1-CD2 3.47Å; Y336-F343 VanDerWaalsContact CE1-CD2 3.47Å; Y336-F343 HydrophobicContact CE1-CE2 4.46Å; Y336-F343 HydrophobicContact CE1-CG 4.12Å; Y336-W345 HydrophobicContact CE1-CD2 4.33Å; Y336-W345 AromaticContact CE1-CE3 3.7Å; Y336-W345 HydrophobicContact CE1-CE3 3.7Å; Y336-W345 HydrophobicContact CE1-CH2 4.3Å; Y336-W345 AromaticContact CE1-CZ3 3.68Å; Y336-W345 HydrophobicContact CE1-CZ3 3.68Å; Y336-W345 AromaticContact CZ-CE3 3.75Å; Y336-W345 VanDerWaalsContact OH-CB 3.3Å; Y336-W345 WeakPolarHBondContact OH-CB 3.49Å; Y336-W345 PolarHBondContact OH-N 3.21Å
337	Q	98.3	Very high	97.6	Very high	161 Å²	161	59.4 Å²	59.4	75%	0.752	32%	0.321	S	S	*	.	H	α-helix	trans	-60.2	-47.8	176.2	-173.7	-177.4	7.6	0	0	111.8	Q333 K334	Q333-Q337 PolarHBondContact O-N 3.42Å; K334-Q337 PolarHBondContact O-N 3.49Å
338	I	97.9	Very high	97.6	Very high	45 Å²	45	60 Å²	60	23%	0.231	33%	0.327	C	S	.	.	H	α-helix	trans	-64.5	-42.3	-179.8	-68.9	167	0	0	0	111.3	T235 L238 E239 L242 K334 F335	T235-I338 HydrophobicContact CG2-CD1 4.01Å; L238-I338 HydrophobicContact CD2-CB 4.38Å; L238-I338 HydrophobicContact CD2-CG2 3.56Å; L238-I338 HydrophobicContact CG-CG2 4.26Å; E239-I338 HydrophobicContact CG-CD1 4.35Å; L242-I338 HydrophobicContact CD1-CG2 3.5Å; K334-I338 HydrophobicContact CG-CD1 3.97Å; K334-I338 VanDerWaalsContact O-CG1 3.26Å; K334-I338 WeakPolarHBondContact O-CG1 3.4Å; K334-I338 PolarHBondContact O-N 3.04Å; F335-I338 PolarHBondContact O-N 3.48Å
339	T	97.3	Very high	97.5	Very high	27 Å²	27	63.3 Å²	63.3	17%	0.166	35%	0.345	C	S	.	.	H	α-helix	trans	-87.8	-10.2	-172.8	60	0	0	0	0	113.6	L238 I252 F335 Y336 R341	L238-T339 HydrophobicContact CD2-CG2 3.6Å; I252-T339 HydrophobicContact CD1-CG2 4.13Å; I252-T339 HydrophobicContact CG1-CG2 3.65Å; F335-T339 HydrophobicContact CD1-CG2 4.35Å; F335-T339 HydrophobicContact CD2-CG2 4.19Å; F335-T339 HydrophobicContact CE1-CG2 4.06Å; F335-T339 HydrophobicContact CE2-CG2 3.9Å; F335-T339 HydrophobicContact CG-CG2 4.41Å; F335-T339 HydrophobicContact CZ-CG2 3.83Å; F335-T339 WeakPolarHBondContact O-CB 3.46Å; F335-T339 VanDerWaalsContact O-CG2 3.25Å; F335-T339 WeakPolarHBondContact O-CG2 3.32Å; F335-T339 PolarHBondContact O-N 2.99Å; F335-T339 PolarHBondContact O-OG1 3.24Å; Y336-T339 PolarHBondContact O-N 3.48Å; T339-R341 PolarHBondContact O-N 3Å; T339-R341 PolarHBondContact OG1-O 3.49Å
340	G	97.1	Very high	97.4	Very high	75 Å²	75	62.2 Å²	62.2	77%	0.773	34%	0.342	S	S	*	.	T	Hydrogen-bonded Turn	trans	63.7	16.3	-172.4	0	0	0	0	0	113.7	Y336	Y336-G340 WeakPolarHBondContact O-CA 3.49Å; Y336-G340 PolarHBondContact O-N 3.47Å
341	R	96.6	Very high	97.4	Very high	57 Å²	57	61.3 Å²	61.3	22%	0.215	33%	0.333	C	S	.	.			trans	-132.5	123.1	-174.3	-175.4	174.2	176.6	167.6	12.9	111.2	I252 E265 Y336 T339 F343	I252-R341 PolarHBondContact O-NH1 3.03Å; E265-R341 IonicContact OE1-CZ 3.08Å; E265-R341 IonicContact OE1-NH1 2.7Å; E265-R341 IonicContact OE1-NH2 3.9Å; E265-R341 PolarHBondContact OE1-NH2 3.23Å; E265-R341 IonicContact OE2-CZ 3.43Å; E265-R341 IonicContact OE2-NH1 2.8Å; E265-R341 PolarHBondContact OE2-NH1 3.34Å; E265-R341 IonicContact OE2-NH2 3.85Å; E265-R341 PolarHBondContact OE2-NH2 3.27Å; E265-R341 VanDerWaalsContact OE2-NH2 3.12Å; Y336-R341 WeakPolarHBondContact CA-O 3.42Å; Y336-R341 WeakPolarHBondContact CD1-O 3.5Å; Y336-R341 PolarHBondContact O-N 3.36Å; T339-R341 PolarHBondContact O-N 3Å; T339-R341 PolarHBondContact OG1-O 3.49Å; R341-F343 HydrophobicContact CB-CE2 4Å; R341-F343 HydrophobicContact CB-CZ 4.23Å; R341-F343 HydrophobicContact CG-CD2 4.44Å; R341-F343 HydrophobicContact CG-CE1 4.35Å; R341-F343 HydrophobicContact CG-CE2 3.83Å; R341-F343 HydrophobicContact CG-CZ 3.76Å; R341-F343 WeakPolarHBondContact O-CD2 3.31Å; R341-F343 VanDerWaalsContact O-CE2 3.24Å; R341-F343 WeakPolarHBondContact O-CE2 3.49Å
342	T	96.9	Very high	97.3	Very high	89 Å²	89	60.7 Å²	60.7	55%	0.546	33%	0.334	S	S	.	.			trans	-93.9	133.7	175.2	-55.1	0	0	0	0	110.7	Y336 N344	Y336-T342 HydrophobicContact CD2-CG2 3.98Å; Y336-T342 HydrophobicContact CE2-CG2 4.14Å; Y336-T342 HydrophobicContact CG-CG2 4.48Å; T342-N344 WeakPolarHBondContact CG2-OD1 3.33Å
343	F	95.9	Very high	97.2	Very high	12 Å²	12	64.8 Å²	64.8	5%	0.053	36%	0.357	C	S	.	.			trans	-108	-2	-177.4	-63	-97.8	0	0	0	113.6	V182 I252 D254 F335 Y336 R341 W345	V182-F343 HydrophobicContact CG2-CD1 4.16Å; V182-F343 HydrophobicContact CG2-CE1 3.7Å; V182-F343 HydrophobicContact CG2-CZ 3.91Å; I252-F343 HydrophobicContact CB-CZ 4.03Å; I252-F343 HydrophobicContact CG2-CE1 4.14Å; I252-F343 HydrophobicContact CG2-CE2 4.22Å; I252-F343 HydrophobicContact CG2-CZ 3.4Å; I252-F343 VanDerWaalsContact CG2-CZ 3.4Å; D254-F343 HydrophobicContact CB-CD1 3.73Å; D254-F343 HydrophobicContact CB-CE1 3.69Å; F335-F343 HydrophobicContact CD1-CD2 4.44Å; F335-F343 HydrophobicContact CD1-CE2 4.12Å; F335-F343 HydrophobicContact CE1-CD2 4.34Å; F335-F343 AromaticContact CE1-CE2 3.7Å; F335-F343 HydrophobicContact CE1-CE2 3.7Å; F335-F343 HydrophobicContact CE1-CZ 4.21Å; Y336-F343 AromaticContact CD1-CD2 3.62Å; Y336-F343 HydrophobicContact CD1-CD2 3.62Å; Y336-F343 HydrophobicContact CD1-CE2 4.3Å; Y336-F343 HydrophobicContact CE1-CB 3.88Å; Y336-F343 AromaticContact CE1-CD2 3.47Å; Y336-F343 HydrophobicContact CE1-CD2 3.47Å; Y336-F343 VanDerWaalsContact CE1-CD2 3.47Å; Y336-F343 HydrophobicContact CE1-CE2 4.46Å; Y336-F343 HydrophobicContact CE1-CG 4.12Å; R341-F343 HydrophobicContact CB-CE2 4Å; R341-F343 HydrophobicContact CB-CZ 4.23Å; R341-F343 HydrophobicContact CG-CD2 4.44Å; R341-F343 HydrophobicContact CG-CE1 4.35Å; R341-F343 HydrophobicContact CG-CE2 3.83Å; R341-F343 HydrophobicContact CG-CZ 3.76Å; R341-F343 WeakPolarHBondContact O-CD2 3.31Å; R341-F343 VanDerWaalsContact O-CE2 3.24Å; R341-F343 WeakPolarHBondContact O-CE2 3.49Å; F343-W345 VanDerWaalsContact C-N 3.25Å; F343-W345 HydrophobicContact CB-CD2 3.91Å; F343-W345 VanDerWaalsContact CB-CE2 3.46Å; F343-W345 HydrophobicContact CB-CG 4.28Å; F343-W345 HydrophobicContact CB-CH2 4.3Å; F343-W345 HydrophobicContact CB-CZ2 3.69Å; F343-W345 AromaticContact CD1-CZ2 3.98Å; F343-W345 HydrophobicContact CD1-CZ2 3.98Å; F343-W345 HydrophobicContact CD2-CH2 4.21Å; F343-W345 HydrophobicContact CD2-CZ2 4.25Å; F343-W345 HydrophobicContact CG-CH2 4.12Å; F343-W345 AromaticContact CG-CZ2 3.7Å; F343-W345 HydrophobicContact CG-CZ2 3.7Å; F343-W345 PolarHBondContact O-N 3.07Å
344	N	94.6	Very high	97.1	Very high	134 Å²	134	62.7 Å²	62.7	72%	0.717	35%	0.351	S	S	*	.			trans	52.6	40	179.9	-57.8	-36.4	0	0	0	113.4	T342	T342-N344 WeakPolarHBondContact CG2-OD1 3.33Å
345	W	97.9	Very high	96.9	Very high	19 Å²	19	60.3 Å²	60.3	7%	0.072	35%	0.348	C	S	.	.			trans	-70.1	141.2	172.8	-60.7	-34.2	0	0	0	110.3	V182 R183 E184 P185 Y234 D256 N332 F335 Y336 F343	V182-W345 HydrophobicContact CB-CH2 4.02Å; V182-W345 HydrophobicContact CB-CZ2 4.07Å; V182-W345 HydrophobicContact CG2-CH2 3.81Å; V182-W345 HydrophobicContact CG2-CZ2 3.75Å; R183-W345 WeakPolarHBondContact O-CZ2 3.34Å; E184-W345 HydrophobicContact CB-CG 4.16Å; E184-W345 HydrophobicContact CG-CB 4.09Å; E184-W345 HydrophobicContact CG-CG 4.08Å; P185-W345 VanDerWaalsContact CD-CE3 3.47Å; P185-W345 HydrophobicContact CG-CD2 4.38Å; P185-W345 HydrophobicContact CG-CE3 3.81Å; P185-W345 HydrophobicContact CG-CZ3 4.07Å; Y234-W345 AromaticContact CD2-CH2 3.64Å; Y234-W345 HydrophobicContact CD2-CH2 3.64Å; Y234-W345 AromaticContact CD2-CZ3 3.79Å; Y234-W345 HydrophobicContact CD2-CZ3 3.79Å; Y234-W345 AromaticContact CE2-CH2 3.46Å; Y234-W345 HydrophobicContact CE2-CH2 3.46Å; Y234-W345 VanDerWaalsContact CE2-CH2 3.46Å; Y234-W345 HydrophobicContact CE2-CZ2 4.16Å; Y234-W345 AromaticContact CE2-CZ3 3.78Å; Y234-W345 HydrophobicContact CE2-CZ3 3.78Å; D256-W345 PolarHBondContact OD2-NE1 3.14Å; N332-W345 HydrophobicContact CB-CE3 4.1Å; F335-W345 HydrophobicContact CD1-CH2 4.17Å; F335-W345 HydrophobicContact CD1-CZ3 4.23Å; F335-W345 HydrophobicContact CE1-CH2 4.17Å; Y336-W345 HydrophobicContact CE1-CD2 4.33Å; Y336-W345 AromaticContact CE1-CE3 3.7Å; Y336-W345 HydrophobicContact CE1-CE3 3.7Å; Y336-W345 HydrophobicContact CE1-CH2 4.3Å; Y336-W345 AromaticContact CE1-CZ3 3.68Å; Y336-W345 HydrophobicContact CE1-CZ3 3.68Å; Y336-W345 AromaticContact CZ-CE3 3.75Å; Y336-W345 VanDerWaalsContact OH-CB 3.3Å; Y336-W345 WeakPolarHBondContact OH-CB 3.49Å; Y336-W345 PolarHBondContact OH-N 3.21Å; F343-W345 VanDerWaalsContact C-N 3.25Å; F343-W345 HydrophobicContact CB-CD2 3.91Å; F343-W345 VanDerWaalsContact CB-CE2 3.46Å; F343-W345 HydrophobicContact CB-CG 4.28Å; F343-W345 HydrophobicContact CB-CH2 4.3Å; F343-W345 HydrophobicContact CB-CZ2 3.69Å; F343-W345 AromaticContact CD1-CZ2 3.98Å; F343-W345 HydrophobicContact CD1-CZ2 3.98Å; F343-W345 HydrophobicContact CD2-CH2 4.21Å; F343-W345 HydrophobicContact CD2-CZ2 4.25Å; F343-W345 HydrophobicContact CG-CH2 4.12Å; F343-W345 AromaticContact CG-CZ2 3.7Å; F343-W345 HydrophobicContact CG-CZ2 3.7Å; F343-W345 PolarHBondContact O-N 3.07Å
346	P	93.5	Very high	96.8	Very high	91 Å²	91	65.7 Å²	65.7	59%	0.591	38%	0.379	S	S	*	.			trans	-68.7	0	-175.4	30.5	-38.3	0	0	0	114.5	E184 R325	E184-P346 HydrophobicContact CG-CG 4.19Å; R325-P346 HydrophobicContact CG-CG 4.38Å; R325-P346 VanDerWaalsContact NE-CG 3.3Å

Retrieved 346 of 346 residues in 448.5 ms (Link to these results)

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