A0A087XHL4_POEFO Loading...

alpha-1,6-mannosyl-glycoprotein 6-beta-N-acetylglucosaminyltransferase

AlphaFold DB , UniProt , Accession A0A087XHL4, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 790 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	29	Very low	25.5	Very low	235 Å²	235	136.4 Å²	136.4	100%	1.158	81%	0.812	S	S	*	*				0	117.1	0	-76.4	171.9	178.5	0	0	107.5
2	T	25	Very low	25.5	Very low	129 Å²	129	136.4 Å²	136.4	79%	0.791	81%	0.813	S	S	*	*			trans	33.6	113.5	146.5	50.5	0	0	0	0	118
3	A	23.6	Very low	25.5	Very low	94 Å²	94	143.6 Å²	143.6	78%	0.777	82%	0.818	S	S	*	*				60.6	130.8	79.6	0	0	0	0	0	111.1
4	S	26.7	Very low	25.5	Very low	101 Å²	101	151.9 Å²	151.9	71%	0.706	83%	0.829	S	S	*	*			cis	172.3	166.8	38.5	53.7	0	0	0	0	111.2
5	V	26.2	Very low	25.4	Very low	134 Å²	134	150 Å²	150	81%	0.812	83%	0.83	S	S	*	*			trans	75.7	131.6	148.3	-174.1	0	0	0	0	116.4
6	G	25.7	Very low	26.4	Very low	63 Å²	63	147.5 Å²	147.5	65%	0.649	82%	0.822	S	S	*	*			cis	126.5	147.4	12.8	0	0	0	0	0	110.3
7	E	27.6	Very low	26.5	Very low	182 Å²	182	145.8 Å²	145.8	85%	0.85	82%	0.816	S	S	*	*			trans	83.7	142.3	163.5	-70.8	-167.3	170.6	0	0	119.5
8	L	25.8	Very low	26.7	Very low	155 Å²	155	144.2 Å²	144.2	81%	0.812	81%	0.811	S	S	*	*			cis	-163.6	159.1	-5.5	-165.7	67.7	0	0	0	109.5
9	S	23.5	Very low	26.8	Very low	92 Å²	92	147.4 Å²	147.4	64%	0.643	82%	0.816	S	S	*	*			trans	-58.6	157.7	-178.8	-167.4	0	0	0	0	118.6
10	T	25.3	Very low	27.3	Very low	148 Å²	148	150.2 Å²	150.2	91%	0.908	82%	0.819	S	S	*	*			trans	-153.7	127.7	140.2	7.9	0	0	0	0	112.4
11	M	22.6	Very low	27.7	Very low	167 Å²	167	147.5 Å²	147.5	82%	0.823	81%	0.809	S	S	*	*			trans	-81.7	159.2	175.5	-79.1	179.6	165.4	0	0	112.9
12	V	24.9	Very low	27.9	Very low	137 Å²	137	144.5 Å²	144.5	83%	0.83	79%	0.789	S	S	*	*				-179.1	102.4	123.2	167.3	0	0	0	0	107.9
13	R	25.1	Very low	28.4	Very low	230 Å²	230	149.1 Å²	149.1	87%	0.868	79%	0.792	S	S	*	*				63.1	108.5	96.5	-98	-173.7	-179.9	-176.5	1	118.1
14	R	26.2	Very low	29.3	Very low	259 Å²	259	151.5 Å²	151.5	98%	0.977	79%	0.791	S	S	*	*				-176.4	136	118.9	-96.5	175.9	-175.4	-172.8	2	112
15	C	23.6	Very low	29.8	Very low	124 Å²	124	154 Å²	154	84%	0.838	79%	0.789	S	S	*	*			trans	-95.1	-175.4	-172	-104.5	0	0	0	0	112.8
16	P	41.5	Very low	30.6	Very low	110 Å²	110	152.4 Å²	152.4	71%	0.714	78%	0.779	S	S	*	*			cis	-137.9	-172.9	-40.6	34.6	-13.8	0	0	0	113.4
17	V	27.7	Very low	31.4	Very low	119 Å²	119	154.6 Å²	154.6	72%	0.721	78%	0.78	S	S	*	*			trans	132.3	100.9	147	-176.8	0	0	0	0	114.7
18	T	30.8	Very low	32.1	Very low	117 Å²	117	147.6 Å²	147.6	72%	0.718	76%	0.757	S	S	*	*			trans	62.1	108.3	146.8	61	0	0	0	0	122.2
19	F	28.3	Very low	33	Very low	205 Å²	205	143.9 Å²	143.9	90%	0.899	74%	0.74	S	S	*	*				-170.3	85.5	126.9	-102.3	-75.7	0	0	0	109
20	K	37.3	Very low	33.7	Very low	203 Å²	203	141.5 Å²	141.5	88%	0.883	73%	0.731	S	S	*	*			trans	-134.7	86.7	167.8	-84.9	-173	176.6	179	0	108.9
21	P	35.2	Very low	34.6	Very low	93 Å²	93	141.1 Å²	141.1	60%	0.604	72%	0.717	S	S	*	*	S	Bend	trans	-133.4	-9.5	135.8	18.3	1.6	0	0	0	114.5
22	F	33.6	Very low	35.5	Very low	172 Å²	172	140.7 Å²	140.7	75%	0.754	71%	0.711	S	S	*	*	H	α-helix	trans	-83.1	-19.1	-168.5	-118.4	-95.6	0	0	0	115.9
23	R	35.2	Very low	36.3	Very low	226 Å²	226	137.1 Å²	137.1	85%	0.853	69%	0.691	S	S	*	*	H	α-helix	trans	-91.1	-16.4	-176.6	-81.9	-172	173.7	-176.7	-1	115.6
24	I	41.8	Very low	37.1	Very low	144 Å²	144	131.5 Å²	131.5	74%	0.738	68%	0.678	S	S	*	*	H	α-helix	trans	-81.5	-29.7	174.1	-62.4	174.4	0	0	0	110.3	G28	I24-G28 PolarHBondContact O-N 3.02Å
25	F	38.3	Very low	37.8	Very low	155 Å²	155	121.9 Å²	121.9	68%	0.68	65%	0.65	S	S	*	*	H	α-helix	trans	-68.7	-38.1	178	-155	-99.8	0	0	0	112.7	V29	F25-V29 HydrophobicContact CD1-CG2 4.36Å; F25-V29 HydrophobicContact CE1-CG2 4.25Å; F25-V29 WeakPolarHBondContact O-CG2 3.43Å; F25-V29 PolarHBondContact O-N 3.31Å
26	V	42.9	Very low	38.6	Very low	99 Å²	99	123.4 Å²	123.4	60%	0.6	64%	0.643	S	S	*	*	H	α-helix	trans	-74.9	-32.8	-177.2	179.6	0	0	0	0	112.7	G30	V26-G30 PolarHBondContact O-N 3.49Å
27	V	42.6	Very low	38.5	Very low	109 Å²	109	122.6 Å²	122.6	66%	0.661	63%	0.632	S	S	*	*	H	α-helix	trans	-77	-33.9	176.3	-179.3	0	0	0	0	111.4	G30 F31	V27-G30 PolarHBondContact O-N 3.04Å; V27-F31 PolarHBondContact O-N 2.89Å
28	G	41.2	Very low	39	Very low	36 Å²	36	123.7 Å²	123.7	37%	0.371	63%	0.631	S	S	.	*	H	α-helix	trans	-66.1	-39.7	175.4	0	0	0	0	0	113.7	I24 F32	I24-G28 PolarHBondContact O-N 3.02Å; G28-F32 PolarHBondContact O-N 3.47Å
29	V	46.5	Very low	39.4	Very low	76 Å²	76	123.4 Å²	123.4	46%	0.461	63%	0.629	S	S	.	*	H	α-helix	trans	-72	-34.1	177.8	175.6	0	0	0	0	111.8	F25 S33	F25-V29 HydrophobicContact CD1-CG2 4.36Å; F25-V29 HydrophobicContact CE1-CG2 4.25Å; F25-V29 WeakPolarHBondContact O-CG2 3.43Å; F25-V29 PolarHBondContact O-N 3.31Å; V29-S33 WeakPolarHBondContact O-CB 3.3Å; V29-S33 PolarHBondContact O-N 3.49Å; V29-S33 PolarHBondContact O-OG 3.24Å
30	G	38	Very low	39.8	Very low	43 Å²	43	117.3 Å²	117.3	44%	0.443	61%	0.612	S	S	.	*	H	α-helix	trans	-66.6	-40.1	175.9	0	0	0	0	0	113.3	V26 V27 L34	V26-G30 PolarHBondContact O-N 3.49Å; V27-G30 PolarHBondContact O-N 3.04Å; G30-L34 WeakPolarHBondContact O-CB 3.5Å; G30-L34 PolarHBondContact O-N 3.26Å; G30-L34 VanDerWaalsContact O-N 3.08Å
31	F	44.3	Very low	39.7	Very low	140 Å²	140	113.4 Å²	113.4	61%	0.614	60%	0.6	S	S	*	*	H	α-helix	trans	-69.3	-42.6	177	-170.4	-100.6	0	0	0	111.9	V27 S33 L34 C35	V27-F31 PolarHBondContact O-N 2.89Å; F31-S33 PolarHBondContact O-N 3.07Å; F31-L34 PolarHBondContact O-N 3.27Å; F31-C35 WeakPolarHBondContact O-CB 3.47Å; F31-C35 PolarHBondContact O-N 2.95Å; F31-C35 PolarHBondContact O-SG 3.44Å
32	F	39.8	Very low	39.5	Very low	158 Å²	158	111.8 Å²	111.8	69%	0.693	60%	0.6	S	S	*	*	H	α-helix	trans	-64.3	-38.4	175.2	-98.2	-88.8	0	0	0	112.7	G28 F36	G28-F32 PolarHBondContact O-N 3.47Å; F32-F36 VanDerWaalsContact O-CB 3.31Å; F32-F36 WeakPolarHBondContact O-CB 3.39Å; F32-F36 PolarHBondContact O-N 2.91Å
33	S	43.4	Very low	39.5	Very low	61 Å²	61	107 Å²	107	43%	0.427	60%	0.6	S	S	.	*	H	α-helix	trans	-70.2	-36.3	178.7	-56.7	0	0	0	0	112.6	V29 F31 F36 L37	V29-S33 WeakPolarHBondContact O-CB 3.3Å; V29-S33 PolarHBondContact O-N 3.49Å; V29-S33 PolarHBondContact O-OG 3.24Å; F31-S33 PolarHBondContact O-N 3.07Å; S33-F36 PolarHBondContact O-N 2.8Å; S33-L37 WeakPolarHBondContact O-CB 3.49Å; S33-L37 PolarHBondContact O-N 3.14Å
34	L	40.4	Very low	39.4	Very low	113 Å²	113	103.9 Å²	103.9	59%	0.592	60%	0.595	S	S	*	*	H	α-helix	trans	-71.7	-40.4	176.5	-169.2	68.9	0	0	0	111.7	G30 F31 F36 L37 M38	G30-L34 WeakPolarHBondContact O-CB 3.5Å; G30-L34 PolarHBondContact O-N 3.26Å; G30-L34 VanDerWaalsContact O-N 3.08Å; F31-L34 PolarHBondContact O-N 3.27Å; L34-F36 VanDerWaalsContact C-N 3.33Å; L34-L37 PolarHBondContact O-N 3.28Å; L34-M38 WeakPolarHBondContact O-CB 3.3Å; L34-M38 VanDerWaalsContact O-CG 3.27Å; L34-M38 WeakPolarHBondContact O-CG 3.16Å; L34-M38 PolarHBondContact O-N 2.61Å
35	C	41.9	Very low	38.8	Very low	57 Å²	57	106.7 Å²	106.7	39%	0.385	60%	0.602	S	S	.	*	H	α-helix	trans	-62.3	-40.7	171.6	-74.2	0	0	0	0	111.5	F31 M38 T39	F31-C35 WeakPolarHBondContact O-CB 3.47Å; F31-C35 PolarHBondContact O-N 2.95Å; F31-C35 PolarHBondContact O-SG 3.44Å; C35-M38 PolarHBondContact O-N 3.45Å; C35-T39 WeakPolarHBondContact O-CG2 3.37Å; C35-T39 PolarHBondContact O-N 3.28Å; C35-T39 PolarHBondContact O-OG1 3.03Å
36	F	40.4	Very low	38.2	Very low	156 Å²	156	105.3 Å²	105.3	68%	0.684	61%	0.611	S	S	*	*	H	α-helix	trans	-66.6	-38.6	178.1	-147.1	-94.1	0	0	0	112.6	F32 S33 L34 T39 S40	F32-F36 VanDerWaalsContact O-CB 3.31Å; F32-F36 WeakPolarHBondContact O-CB 3.39Å; F32-F36 PolarHBondContact O-N 2.91Å; S33-F36 PolarHBondContact O-N 2.8Å; L34-F36 VanDerWaalsContact C-N 3.33Å; F36-T39 WeakPolarHBondContact CA-OG1 3.24Å; F36-T39 PolarHBondContact O-N 3.31Å; F36-T39 PolarHBondContact O-OG1 2.92Å; F36-S40 VanDerWaalsContact O-CB 3.32Å; F36-S40 WeakPolarHBondContact O-CB 3.43Å; F36-S40 PolarHBondContact O-N 2.7Å
37	L	38.2	Very low	37.4	Very low	93 Å²	93	105 Å²	105	49%	0.487	62%	0.619	S	S	.	*	H	α-helix	trans	-68.4	-40.8	174.7	-89.8	155.6	0	0	0	112.5	S33 L34 T39 S40 L41	S33-L37 WeakPolarHBondContact O-CB 3.49Å; S33-L37 PolarHBondContact O-N 3.14Å; L34-L37 PolarHBondContact O-N 3.28Å; L37-T39 VanDerWaalsContact C-N 3.31Å; L37-T39 PolarHBondContact O-N 3.38Å; L37-S40 PolarHBondContact O-N 2.96Å; L37-L41 HydrophobicContact CD2-CD1 3.78Å; L37-L41 PolarHBondContact O-N 3.43Å
38	M	37.8	Very low	37.1	Very low	142 Å²	142	109.9 Å²	109.9	70%	0.7	63%	0.632	S	S	*	*	H	α-helix	trans	-68.3	-30.6	176	-68.7	-66	-73.4	0	0	112.1	L34 C35 G42	L34-M38 WeakPolarHBondContact O-CB 3.3Å; L34-M38 VanDerWaalsContact O-CG 3.27Å; L34-M38 WeakPolarHBondContact O-CG 3.16Å; L34-M38 PolarHBondContact O-N 2.61Å; C35-M38 PolarHBondContact O-N 3.45Å; M38-G42 PolarHBondContact O-N 3.31Å
39	T	41.1	Very low	36.3	Very low	110 Å²	110	120 Å²	120	68%	0.675	66%	0.659	S	S	*	*	H	α-helix	trans	-80.1	-24.8	172.6	53.8	0	0	0	0	114.2	C35 F36 L37	C35-T39 WeakPolarHBondContact O-CG2 3.37Å; C35-T39 PolarHBondContact O-N 3.28Å; C35-T39 PolarHBondContact O-OG1 3.03Å; F36-T39 WeakPolarHBondContact CA-OG1 3.24Å; F36-T39 PolarHBondContact O-N 3.31Å; F36-T39 PolarHBondContact O-OG1 2.92Å; L37-T39 VanDerWaalsContact C-N 3.31Å; L37-T39 PolarHBondContact O-N 3.38Å
40	S	36.7	Very low	35.5	Very low	78 Å²	78	125 Å²	125	55%	0.545	68%	0.682	S	S	.	*	H	α-helix	trans	-93.5	-23.5	-177.3	88.6	0	0	0	0	114.2	F36 L37	F36-S40 VanDerWaalsContact O-CB 3.32Å; F36-S40 WeakPolarHBondContact O-CB 3.43Å; F36-S40 PolarHBondContact O-N 2.7Å; L37-S40 PolarHBondContact O-N 2.96Å
41	L	35.2	Very low	35.3	Very low	120 Å²	120	125.9 Å²	125.9	63%	0.628	69%	0.691	S	S	*	*	H	α-helix	trans	-101.9	-7.7	176.3	-76	158	0	0	0	114.1	L37 G43	L37-L41 HydrophobicContact CD2-CD1 3.78Å; L37-L41 PolarHBondContact O-N 3.43Å; L41-G43 PolarHBondContact O-N 3.47Å; L41-G43 VanDerWaalsContact O-N 3.14Å
42	G	30.6	Very low	34.3	Very low	59 Å²	59	127.5 Å²	127.5	61%	0.608	71%	0.706	S	S	*	*	T	Hydrogen-bonded Turn	trans	-70.5	1.4	174.2	0	0	0	0	0	115.6	M38	M38-G42 PolarHBondContact O-N 3.31Å
43	G	33.1	Very low	33.8	Very low	73 Å²	73	123.3 Å²	123.3	75%	0.753	70%	0.697	S	S	*	*	T	Hydrogen-bonded Turn	trans	-90	0.7	-179.4	0	0	0	0	0	116	L41	L41-G43 PolarHBondContact O-N 3.47Å; L41-G43 VanDerWaalsContact O-N 3.14Å
44	Q	32.9	Very low	33.1	Very low	160 Å²	160	125.9 Å²	125.9	75%	0.748	71%	0.711	S	S	*	*	S	Bend	trans	-109.7	-4.2	-174	-85.8	-169.2	-21.4	0	0	117.4
45	F	30	Very low	32.6	Very low	203 Å²	203	127 Å²	127	89%	0.89	71%	0.712	S	S	*	*	S	Bend	trans	-150.3	90	168	-77.7	-81	0	0	0	111
46	S	26	Very low	31.8	Very low	125 Å²	125	130.2 Å²	130.2	87%	0.874	73%	0.73	S	S	*	*			trans	-158.9	135.8	153.3	-161.1	0	0	0	0	111.6
47	A	25	Very low	31.2	Very low	93 Å²	93	130.1 Å²	130.1	77%	0.769	74%	0.743	S	S	*	*			trans	-72.9	157.7	-167.3	0	0	0	0	0	114.4	R49	A47-R49 PolarHBondContact O-N 3.42Å
48	K	36.5	Very low	30.5	Very low	212 Å²	212	137.2 Å²	137.2	92%	0.922	76%	0.763	S	S	*	*			trans	-15.3	121	160.2	-84	175.7	169.7	174.8	0	114.8
49	R	24.1	Very low	30.2	Very low	249 Å²	249	135.3 Å²	135.3	94%	0.94	77%	0.77	S	S	*	*			trans	-142.3	144	132.9	-82	-161	-176.3	178.9	1.7	111.9	A47	A47-R49 PolarHBondContact O-N 3.42Å
50	L	29.3	Very low	29.3	Very low	180 Å²	180	138.9 Å²	138.9	94%	0.942	78%	0.779	S	S	*	*			trans	-73.8	148.2	178.7	-122.9	82.3	0	0	0	111
51	G	35.3	Very low	29	Very low	62 Å²	62	141.9 Å²	141.9	64%	0.639	79%	0.794	S	S	*	*			trans	92.3	95.2	157.2	0	0	0	0	0	114.7
52	D	23.2	Very low	28.6	Very low	174 Å²	174	144 Å²	144	93%	0.93	81%	0.805	S	S	*	*			trans	-168.4	132.6	135.5	-89.3	-24.8	0	0	0	109.1
53	S	29	Very low	28.5	Very low	70 Å²	70	145.2 Å²	145.2	49%	0.49	80%	0.804	S	S	.	*			trans	-88.4	140.5	177	174.3	0	0	0	0	109.3	F55	S53-F55 PolarHBondContact O-N 3.46Å; S53-F55 VanDerWaalsContact O-N 3.14Å
54	P	27.4	Very low	28.4	Very low	114 Å²	114	144.5 Å²	144.5	74%	0.74	80%	0.797	S	S	*	*	S	Bend	trans	-78.7	8.4	-176.7	32.3	-32.6	0	0	0	114.1
55	F	31.5	Very low	28.5	Very low	136 Å²	136	145.1 Å²	145.1	60%	0.596	80%	0.799	S	S	*	*			trans	-115	67.6	-176.7	-59.7	-75.4	0	0	0	111.7	S53	S53-F55 PolarHBondContact O-N 3.46Å; S53-F55 VanDerWaalsContact O-N 3.14Å
56	T	24.8	Very low	28.8	Very low	126 Å²	126	143.2 Å²	143.2	77%	0.773	79%	0.793	S	S	*	*	S	Bend	trans	-137.1	132.7	151.4	50.5	0	0	0	0	108.1	R58	T56-R58 PolarHBondContact O-N 2.84Å
57	T	27.8	Very low	29.2	Very low	154 Å²	154	139.1 Å²	139.1	95%	0.945	77%	0.765	S	S	*	*			trans	-46.8	106.2	178.4	22.7	0	0	0	0	112.9
58	R	23.5	Very low	29.9	Very low	241 Å²	241	143.7 Å²	143.7	91%	0.909	76%	0.762	S	S	*	*			trans	-143.1	122.3	146.2	-128.2	177.2	-177	165	1.3	108.2	T56 E60	T56-R58 PolarHBondContact O-N 2.84Å; R58-E60 PolarHBondContact O-N 3.43Å; R58-E60 VanDerWaalsContact O-N 3.11Å
59	A	31	Very low	30	Very low	103 Å²	103	135.6 Å²	135.6	85%	0.851	74%	0.738	S	S	*	*			trans	-60.4	111.9	176.4	0	0	0	0	0	109.5
60	E	22.9	Very low	30.9	Very low	184 Å²	184	128 Å²	128	86%	0.86	72%	0.72	S	S	*	*			trans	-154	120.8	154.3	-110	168	-151.2	0	0	108.7	R58 L62	R58-E60 PolarHBondContact O-N 3.43Å; R58-E60 VanDerWaalsContact O-N 3.11Å; E60-L62 PolarHBondContact O-N 2.78Å
61	V	29.9	Very low	31.3	Very low	142 Å²	142	124.7 Å²	124.7	86%	0.861	70%	0.702	S	S	*	*			trans	-65.6	116	-179.1	172.5	0	0	0	0	108.7
62	L	26.5	Very low	31.8	Very low	164 Å²	164	130.7 Å²	130.7	86%	0.859	71%	0.706	S	S	*	*			trans	-129.6	111.9	163	-86.9	166.2	0	0	0	110.7	E60	E60-L62 PolarHBondContact O-N 2.78Å
63	S	29.3	Very low	32.9	Very low	85 Å²	85	129.8 Å²	129.8	59%	0.594	69%	0.693	S	S	*	*			trans	-67.5	135.4	-178.8	45.4	0	0	0	0	112.6	S67	S63-S67 PolarHBondContact OG-OG 2.68Å
64	G	30.1	Very low	33.9	Very low	58 Å²	58	130.1 Å²	130.1	60%	0.598	69%	0.689	S	S	*	*			trans	-65.9	173.1	173.8	0	0	0	0	0	114.6	E66 S67	G64-E66 PolarHBondContact O-N 2.85Å; G64-S67 PolarHBondContact O-N 3.48Å; G64-S67 PolarHBondContact O-OG 3.2Å
65	Q	36.2	Very low	34.8	Very low	172 Å²	172	127.8 Å²	127.8	80%	0.804	68%	0.676	S	S	*	*	T	Hydrogen-bonded Turn	trans	-58	-9.8	-164.9	-157.5	165.8	-24.7	0	0	116.6
66	E	35.9	Very low	35.8	Very low	163 Å²	163	125.3 Å²	125.3	76%	0.762	67%	0.669	S	S	*	*	T	Hydrogen-bonded Turn	trans	-75.7	-31.4	175.2	-65.6	-172.1	149.9	0	0	113.4	G64 R68 G69 V70	G64-E66 PolarHBondContact O-N 2.85Å; E66-R68 PolarHBondContact O-N 2.9Å; E66-G69 PolarHBondContact O-N 2.95Å; E66-G69 VanDerWaalsContact O-N 3.15Å; E66-V70 PolarHBondContact O-N 3.18Å
67	S	34.6	Very low	37	Very low	39 Å²	39	124.6 Å²	124.6	27%	0.273	66%	0.658	S	S	.	*	H	α-helix	trans	-61.8	-30	178	55.7	0	0	0	0	112.6	S63 G64 L71	S63-S67 PolarHBondContact OG-OG 2.68Å; G64-S67 PolarHBondContact O-N 3.48Å; G64-S67 PolarHBondContact O-OG 3.2Å; S67-L71 VanDerWaalsContact O-CB 3.24Å; S67-L71 WeakPolarHBondContact O-CB 3.47Å; S67-L71 WeakPolarHBondContact O-CD1 3.3Å; S67-L71 VanDerWaalsContact O-CG 3.31Å; S67-L71 WeakPolarHBondContact O-CG 3.22Å; S67-L71 PolarHBondContact O-N 3.39Å
68	R	40.2	Very low	37.9	Very low	190 Å²	190	121.9 Å²	121.9	72%	0.717	64%	0.637	S	S	*	*	H	α-helix	trans	-70.7	-30.7	177.2	-76.6	-176.8	164.9	122.4	-2.6	113.6	E66 R72	E66-R68 PolarHBondContact O-N 2.9Å; R68-R72 WeakPolarHBondContact O-CB 3.38Å; R68-R72 PolarHBondContact O-N 3.34Å
69	G	38.2	Very low	39.3	Very low	41 Å²	41	114.7 Å²	114.7	42%	0.423	61%	0.614	S	S	.	*	H	α-helix	trans	-76	-39.8	179	0	0	0	0	0	112.7	E66 R72 K73	E66-G69 PolarHBondContact O-N 2.95Å; E66-G69 VanDerWaalsContact O-N 3.15Å; G69-R72 PolarHBondContact O-N 3.37Å; G69-K73 PolarHBondContact O-N 3.37Å; G69-K73 VanDerWaalsContact O-N 3.09Å
70	V	42.3	Very low	40.1	Very low	91 Å²	91	114.8 Å²	114.8	55%	0.552	60%	0.598	S	S	*	*	H	α-helix	trans	-69.8	-42.6	174.8	-179.8	0	0	0	0	110.6	E66 R72 K73 I74	E66-V70 PolarHBondContact O-N 3.18Å; V70-R72 VanDerWaalsContact C-N 3.33Å; V70-R72 PolarHBondContact O-N 3.38Å; V70-K73 PolarHBondContact O-N 3.39Å; V70-I74 HydrophobicContact CG1-CD1 3.89Å; V70-I74 VanDerWaalsContact O-CG1 3.31Å; V70-I74 WeakPolarHBondContact O-CG1 3.48Å; V70-I74 PolarHBondContact O-N 2.92Å
71	L	38.7	Very low	41.5	Very low	110 Å²	110	110.5 Å²	110.5	58%	0.576	58%	0.58	S	S	*	*	H	α-helix	trans	-63.5	-35.5	173.7	-80.6	161.8	0	0	0	112.5	S67 I74 S75	S67-L71 VanDerWaalsContact O-CB 3.24Å; S67-L71 WeakPolarHBondContact O-CB 3.47Å; S67-L71 WeakPolarHBondContact O-CD1 3.3Å; S67-L71 VanDerWaalsContact O-CG 3.31Å; S67-L71 WeakPolarHBondContact O-CG 3.22Å; S67-L71 PolarHBondContact O-N 3.39Å; L71-I74 PolarHBondContact O-N 3.4Å; L71-S75 WeakPolarHBondContact O-CB 3.42Å; L71-S75 PolarHBondContact O-N 2.86Å
72	R	45.8	Very low	42.4	Very low	187 Å²	187	110 Å²	110	71%	0.706	57%	0.57	S	S	*	*	H	α-helix	trans	-63.2	-47.4	171.8	-116.6	176	-177.4	154.9	0.8	112	R68 G69 V70 I74 S75 D76	R68-R72 WeakPolarHBondContact O-CB 3.38Å; R68-R72 PolarHBondContact O-N 3.34Å; G69-R72 PolarHBondContact O-N 3.37Å; V70-R72 VanDerWaalsContact C-N 3.33Å; V70-R72 PolarHBondContact O-N 3.38Å; R72-I74 VanDerWaalsContact C-N 3.31Å; R72-I74 PolarHBondContact O-N 2.79Å; R72-S75 CarbonylContact O-C 3.57Å; R72-S75 WeakPolarHBondContact O-CB 3.34Å; R72-S75 PolarHBondContact O-N 2.93Å; R72-D76 WeakPolarHBondContact O-CB 3.31Å; R72-D76 PolarHBondContact O-N 3.02Å
73	K	45.8	Very low	43.6	Very low	155 Å²	155	108.5 Å²	108.5	67%	0.674	56%	0.556	S	S	*	*	H	α-helix	trans	-62.2	-36.7	177	-79.1	-178.3	176.1	178.9	0	113.2	G69 V70 M77	G69-K73 PolarHBondContact O-N 3.37Å; G69-K73 VanDerWaalsContact O-N 3.09Å; V70-K73 PolarHBondContact O-N 3.39Å; K73-M77 WeakPolarHBondContact O-CB 3.23Å; K73-M77 PolarHBondContact O-N 2.96Å
74	I	48.6	Very low	44.6	Very low	77 Å²	77	112.7 Å²	112.7	40%	0.395	56%	0.559	S	S	.	*	H	α-helix	trans	-70.7	-41.4	175.6	-67.5	169.8	0	0	0	110.4	V70 L71 R72 M77 L78	V70-I74 HydrophobicContact CG1-CD1 3.89Å; V70-I74 VanDerWaalsContact O-CG1 3.31Å; V70-I74 WeakPolarHBondContact O-CG1 3.48Å; V70-I74 PolarHBondContact O-N 2.92Å; L71-I74 PolarHBondContact O-N 3.4Å; R72-I74 VanDerWaalsContact C-N 3.31Å; R72-I74 PolarHBondContact O-N 2.79Å; I74-M77 PolarHBondContact O-N 3.22Å; I74-L78 HydrophobicContact CG2-CD1 3.92Å; I74-L78 WeakPolarHBondContact O-CB 3.32Å; I74-L78 WeakPolarHBondContact O-CG 3.29Å; I74-L78 PolarHBondContact O-N 2.88Å
75	S	46.9	Very low	45.5	Very low	66 Å²	66	116 Å²	116	46%	0.462	56%	0.56	S	S	.	*	H	α-helix	trans	-63.1	-42.8	174.8	-168.3	0	0	0	0	111.9	L71 R72 L78 E79	L71-S75 WeakPolarHBondContact O-CB 3.42Å; L71-S75 PolarHBondContact O-N 2.86Å; R72-S75 CarbonylContact O-C 3.57Å; R72-S75 WeakPolarHBondContact O-CB 3.34Å; R72-S75 PolarHBondContact O-N 2.93Å; S75-L78 PolarHBondContact O-N 2.93Å; S75-E79 WeakPolarHBondContact O-CB 3.22Å; S75-E79 PolarHBondContact O-N 2.9Å
76	D	53.5	Low	46.1	Very low	84 Å²	84	111.7 Å²	111.7	45%	0.449	54%	0.543	S	S	.	.	H	α-helix	trans	-67.8	-38	178.8	-64.4	-21.1	0	0	0	111.3	R72 M80	R72-D76 WeakPolarHBondContact O-CB 3.31Å; R72-D76 PolarHBondContact O-N 3.02Å; D76-M80 WeakPolarHBondContact O-CB 3.42Å; D76-M80 PolarHBondContact O-N 3.35Å
77	M	48.8	Very low	46.9	Very low	111 Å²	111	106.8 Å²	106.8	55%	0.547	53%	0.53	S	S	.	.	H	α-helix	trans	-65.4	-44.2	171.9	-90.8	-165.7	-58.8	0	0	112.1	K73 I74 E79 M80 I81	K73-M77 WeakPolarHBondContact O-CB 3.23Å; K73-M77 PolarHBondContact O-N 2.96Å; I74-M77 PolarHBondContact O-N 3.22Å; M77-E79 VanDerWaalsContact C-N 3.34Å; M77-M80 PolarHBondContact O-N 3.12Å; M77-I81 VanDerWaalsContact O-CG1 3.25Å; M77-I81 WeakPolarHBondContact O-CG1 3.32Å; M77-I81 PolarHBondContact O-N 3.32Å
78	L	46.8	Very low	47.5	Very low	97 Å²	97	110.5 Å²	110.5	51%	0.508	55%	0.547	S	S	.	.	H	α-helix	trans	-65.3	-38.8	178	-77.1	167.1	0	0	0	111.4	I74 S75 M80 I81 M82	I74-L78 HydrophobicContact CG2-CD1 3.92Å; I74-L78 WeakPolarHBondContact O-CB 3.32Å; I74-L78 WeakPolarHBondContact O-CG 3.29Å; I74-L78 PolarHBondContact O-N 2.88Å; S75-L78 PolarHBondContact O-N 2.93Å; L78-M80 VanDerWaalsContact C-N 3.34Å; L78-I81 PolarHBondContact O-N 3.12Å; L78-M82 WeakPolarHBondContact O-CB 3.27Å; L78-M82 WeakPolarHBondContact O-CG 3.33Å; L78-M82 PolarHBondContact O-N 3.08Å
79	E	52.3	Low	47.7	Very low	90 Å²	90	105.9 Å²	105.9	42%	0.421	54%	0.543	S	S	.	.	H	α-helix	trans	-67.1	-36.1	175.7	-160.5	-175.1	149.5	0	0	111.7	S75 M77 M82 K83	S75-E79 WeakPolarHBondContact O-CB 3.22Å; S75-E79 PolarHBondContact O-N 2.9Å; M77-E79 VanDerWaalsContact C-N 3.34Å; E79-M82 PolarHBondContact O-N 3.19Å; E79-K83 WeakPolarHBondContact O-CB 3.33Å; E79-K83 WeakPolarHBondContact O-CG 3.5Å; E79-K83 PolarHBondContact O-N 3.14Å; E79-K83 WeakPolarHBondContact OE1-CE 3.44Å; E79-K83 IonicContact OE1-NZ 3.37Å; E79-K83 PolarHBondContact OE1-NZ 3.34Å
80	M	48.8	Very low	48.2	Very low	105 Å²	105	111.2 Å²	111.2	52%	0.517	56%	0.555	S	S	.	*	H	α-helix	trans	-68.7	-38.2	174.6	-159.7	-173.9	-47.4	0	0	112.3	D76 M77 L78 R84	D76-M80 WeakPolarHBondContact O-CB 3.42Å; D76-M80 PolarHBondContact O-N 3.35Å; M77-M80 PolarHBondContact O-N 3.12Å; L78-M80 VanDerWaalsContact C-N 3.34Å; M80-R84 WeakPolarHBondContact O-CG 3.41Å; M80-R84 PolarHBondContact O-N 2.95Å; M80-R84 VanDerWaalsContact O-N 3.11Å
81	I	53.1	Low	48.7	Very low	93 Å²	93	112.6 Å²	112.6	48%	0.477	56%	0.558	S	S	.	*	H	α-helix	trans	-67.6	-43.3	174.2	-69.5	165.4	0	0	0	110.3	M77 L78 R84 M85	M77-I81 VanDerWaalsContact O-CG1 3.25Å; M77-I81 WeakPolarHBondContact O-CG1 3.32Å; M77-I81 PolarHBondContact O-N 3.32Å; L78-I81 PolarHBondContact O-N 3.12Å; I81-R84 PolarHBondContact O-N 3.01Å; I81-M85 PolarHBondContact O-N 2.84Å
82	M	47	Very low	48.9	Very low	133 Å²	133	110.3 Å²	110.3	66%	0.655	56%	0.561	S	S	*	*	H	α-helix	trans	-64.8	-40.7	176.5	-77	179.2	62	0	0	112.4	L78 E79 R84 M85 D86	L78-M82 WeakPolarHBondContact O-CB 3.27Å; L78-M82 WeakPolarHBondContact O-CG 3.33Å; L78-M82 PolarHBondContact O-N 3.08Å; E79-M82 PolarHBondContact O-N 3.19Å; M82-R84 VanDerWaalsContact C-N 3.31Å; M82-R84 PolarHBondContact O-N 3.45Å; M82-M85 PolarHBondContact O-N 3.4Å; M82-D86 WeakPolarHBondContact O-CB 3.43Å; M82-D86 PolarHBondContact O-N 2.97Å
83	K	52.4	Low	49.1	Very low	131 Å²	131	109.4 Å²	109.4	57%	0.57	57%	0.571	S	S	*	*	H	α-helix	trans	-63.9	-34.4	173.9	-80.3	175.8	-176.8	158.6	0	112.5	E79 A87	E79-K83 WeakPolarHBondContact O-CB 3.33Å; E79-K83 WeakPolarHBondContact O-CG 3.5Å; E79-K83 PolarHBondContact O-N 3.14Å; E79-K83 WeakPolarHBondContact OE1-CE 3.44Å; E79-K83 IonicContact OE1-NZ 3.37Å; E79-K83 PolarHBondContact OE1-NZ 3.34Å; K83-A87 WeakPolarHBondContact O-CB 3.49Å; K83-A87 PolarHBondContact O-N 3.19Å; K83-A87 VanDerWaalsContact O-N 3.08Å
84	R	50.6	Low	49.1	Very low	173 Å²	173	105.7 Å²	105.7	65%	0.653	57%	0.569	S	S	*	*	H	α-helix	trans	-74.4	-36.1	174.9	-72.7	-178.4	-177.2	-155.7	2.3	112.3	M80 I81 M82 A87 L88	M80-R84 WeakPolarHBondContact O-CG 3.41Å; M80-R84 PolarHBondContact O-N 2.95Å; M80-R84 VanDerWaalsContact O-N 3.11Å; I81-R84 PolarHBondContact O-N 3.01Å; M82-R84 VanDerWaalsContact C-N 3.31Å; M82-R84 PolarHBondContact O-N 3.45Å; R84-A87 PolarHBondContact O-N 2.83Å; R84-L88 WeakPolarHBondContact O-CB 3.49Å; R84-L88 WeakPolarHBondContact O-CD1 3.4Å; R84-L88 VanDerWaalsContact O-CG 3.29Å; R84-L88 WeakPolarHBondContact O-CG 3.19Å; R84-L88 PolarHBondContact O-N 3.44Å
85	M	49.2	Very low	49.2	Very low	127 Å²	127	108.8 Å²	108.8	63%	0.626	59%	0.592	S	S	*	*	H	α-helix	trans	-65.8	-38.2	171	-93.4	179.7	60.2	0	0	112.7	I81 M82 L88 S89	I81-M85 PolarHBondContact O-N 2.84Å; M82-M85 PolarHBondContact O-N 3.4Å; M85-L88 PolarHBondContact O-N 3.16Å; M85-S89 WeakPolarHBondContact O-CB 3.49Å; M85-S89 PolarHBondContact O-N 3.26Å
86	D	48.5	Very low	49.2	Very low	82 Å²	82	111.3 Å²	111.3	44%	0.439	60%	0.6	S	S	.	*	H	α-helix	trans	-70.3	-34.9	176.9	-164.9	56.9	0	0	0	111.7	M82 S89 K90	M82-D86 WeakPolarHBondContact O-CB 3.43Å; M82-D86 PolarHBondContact O-N 2.97Å; D86-S89 PolarHBondContact O-N 3.08Å; D86-K90 WeakPolarHBondContact O-CG 3.43Å; D86-K90 PolarHBondContact O-N 3.09Å; D86-K90 VanDerWaalsContact O-N 3.12Å; D86-K90 WeakPolarHBondContact OD2-CE 3.42Å; D86-K90 IonicContact OD2-NZ 2.73Å; D86-K90 PolarHBondContact OD2-NZ 3.37Å
87	A	51.9	Low	48.9	Very low	61 Å²	61	113.8 Å²	113.8	50%	0.504	62%	0.618	S	S	.	*	H	α-helix	trans	-66.5	-37.3	170.4	0	0	0	0	0	112.7	K83 R84 K90 L91	K83-A87 WeakPolarHBondContact O-CB 3.49Å; K83-A87 PolarHBondContact O-N 3.19Å; K83-A87 VanDerWaalsContact O-N 3.08Å; R84-A87 PolarHBondContact O-N 2.83Å; A87-K90 PolarHBondContact O-N 3.24Å; A87-L91 PolarHBondContact O-N 3.21Å
88	L	47	Very low	49	Very low	117 Å²	117	116.1 Å²	116.1	61%	0.613	63%	0.627	S	S	*	*	H	α-helix	trans	-69.7	-37.8	173.9	-76.2	163	0	0	0	112.2	R84 M85 K90 L91	R84-L88 WeakPolarHBondContact O-CB 3.49Å; R84-L88 WeakPolarHBondContact O-CD1 3.4Å; R84-L88 VanDerWaalsContact O-CG 3.29Å; R84-L88 WeakPolarHBondContact O-CG 3.19Å; R84-L88 PolarHBondContact O-N 3.44Å; M85-L88 PolarHBondContact O-N 3.16Å; L88-K90 VanDerWaalsContact C-N 3.26Å; L88-K90 PolarHBondContact O-N 2.9Å; L88-L91 PolarHBondContact O-N 2.98Å
89	S	46.3	Very low	49.1	Very low	92 Å²	92	119.7 Å²	119.7	64%	0.643	63%	0.634	S	S	*	*	H	α-helix	trans	-64.9	-30.2	174.7	-179.4	0	0	0	0	112.6	M85 D86 L91	M85-S89 WeakPolarHBondContact O-CB 3.49Å; M85-S89 PolarHBondContact O-N 3.26Å; D86-S89 PolarHBondContact O-N 3.08Å; S89-L91 VanDerWaalsContact C-N 3.34Å
90	K	48.4	Very low	48.9	Very low	154 Å²	154	121.7 Å²	121.7	67%	0.67	65%	0.647	S	S	*	*	T	Hydrogen-bonded Turn	trans	-81.9	-11.4	177.7	-75.1	167.9	177.5	159.2	0	113.6	D86 A87 L88	D86-K90 WeakPolarHBondContact O-CG 3.43Å; D86-K90 PolarHBondContact O-N 3.09Å; D86-K90 VanDerWaalsContact O-N 3.12Å; D86-K90 WeakPolarHBondContact OD2-CE 3.42Å; D86-K90 IonicContact OD2-NZ 2.73Å; D86-K90 PolarHBondContact OD2-NZ 3.37Å; A87-K90 PolarHBondContact O-N 3.24Å; L88-K90 VanDerWaalsContact C-N 3.26Å; L88-K90 PolarHBondContact O-N 2.9Å
91	L	51.3	Low	48.8	Very low	119 Å²	119	122.5 Å²	122.5	62%	0.623	65%	0.653	S	S	*	*	T	Hydrogen-bonded Turn	trans	-94.7	0.6	176.9	-138.8	76.1	0	0	0	113.5	A87 L88 S89 N93	A87-L91 PolarHBondContact O-N 3.21Å; L88-L91 PolarHBondContact O-N 2.98Å; S89-L91 VanDerWaalsContact C-N 3.34Å; L91-N93 PolarHBondContact O-N 2.85Å; L91-N93 VanDerWaalsContact O-N 3.11Å
92	G	43.7	Very low	48.5	Very low	62 Å²	62	124.7 Å²	124.7	64%	0.639	66%	0.662	S	S	*	*	T	Hydrogen-bonded Turn	trans	-72.5	6.6	-177	0	0	0	0	0	116.5
93	N	50.3	Low	48.4	Very low	169 Å²	169	123 Å²	123	90%	0.904	65%	0.654	S	S	*	*	T	Hydrogen-bonded Turn	trans	-121.2	17.5	-177	-87.3	2	0	0	0	114.8	L91	L91-N93 PolarHBondContact O-N 2.85Å; L91-N93 VanDerWaalsContact O-N 3.11Å
94	A	45.8	Very low	48	Very low	76 Å²	76	120 Å²	120	63%	0.628	65%	0.65	S	S	*	*			trans	-127.4	118.1	172.2	0	0	0	0	0	111.1	D96	A94-D96 PolarHBondContact O-N 2.98Å; A94-D96 VanDerWaalsContact O-N 3.15Å
95	T	51.5	Low	47.6	Very low	143 Å²	143	117.9 Å²	117.9	88%	0.877	65%	0.651	S	S	*	*			trans	-70.7	95	174	42.9	0	0	0	0	110.4
96	D	46.2	Very low	47.4	Very low	119 Å²	119	114.2 Å²	114.2	64%	0.636	64%	0.641	S	S	*	*			trans	-139.4	93.5	165.3	-95.2	-32.3	0	0	0	109.9	A94 H98 R99	A94-D96 PolarHBondContact O-N 2.98Å; A94-D96 VanDerWaalsContact O-N 3.15Å; D96-H98 PolarHBondContact O-N 2.87Å; D96-R99 PolarHBondContact O-N 2.93Å
97	T	47.3	Very low	47.1	Very low	135 Å²	135	115.9 Å²	115.9	83%	0.828	65%	0.649	S	S	*	*	T	Hydrogen-bonded Turn	trans	-65.2	-15.2	-178.6	39.2	0	0	0	0	113.6
98	H	50.1	Low	46.6	Very low	160 Å²	160	118.8 Å²	118.8	74%	0.741	66%	0.656	S	S	*	*	H	α-helix	trans	-81	-13.8	-178.3	-154.2	-76.3	0	0	0	114.2	D96	D96-H98 PolarHBondContact O-N 2.87Å
99	R	49.8	Very low	46.4	Very low	173 Å²	173	123.9 Å²	123.9	65%	0.653	67%	0.668	S	S	*	*	H	α-helix	trans	-91.3	-16.7	174.8	-82.1	-172.4	166.8	175.3	-0.8	113.8	D96 L103	D96-R99 PolarHBondContact O-N 2.93Å; R99-L103 PolarHBondContact O-N 3.45Å
100	L	46.7	Very low	46.4	Very low	132 Å²	132	125.9 Å²	125.9	69%	0.691	67%	0.67	S	S	*	*	H	α-helix	trans	-73	-35.4	179.2	-125.5	86.2	0	0	0	111.9	L103 S104	L100-L103 PolarHBondContact O-N 2.79Å; L100-S104 PolarHBondContact O-N 3.04Å
101	D	48.3	Very low	46	Very low	121 Å²	121	125 Å²	125	65%	0.647	67%	0.668	S	S	*	*	H	α-helix	trans	-72.8	-38.1	179.6	-101.5	4.8	0	0	0	112.9	L103 S104 L105	D101-L103 VanDerWaalsContact C-N 3.28Å; D101-L103 PolarHBondContact O-N 3.38Å; D101-S104 PolarHBondContact O-N 3.22Å; D101-L105 PolarHBondContact O-N 3.29Å; D101-L105 VanDerWaalsContact O-N 3.13Å
102	E	46.9	Very low	45.6	Very low	140 Å²	140	123.1 Å²	123.1	65%	0.654	66%	0.662	S	S	*	*	H	α-helix	trans	-65.4	-32.2	172.1	-86	-166.5	148	0	0	112.4	A106	E102-A106 PolarHBondContact O-N 3.37Å; E102-A106 VanDerWaalsContact O-N 3.16Å
103	L	44	Very low	45.4	Very low	96 Å²	96	128.7 Å²	128.7	50%	0.503	67%	0.674	S	S	.	*	H	α-helix	trans	-77.2	-33	176.1	-87.2	160.3	0	0	0	112.6	R99 L100 D101 L105 A106 L107	R99-L103 PolarHBondContact O-N 3.45Å; L100-L103 PolarHBondContact O-N 2.79Å; D101-L103 VanDerWaalsContact C-N 3.28Å; D101-L103 PolarHBondContact O-N 3.38Å; L103-L105 VanDerWaalsContact C-N 3.34Å; L103-A106 PolarHBondContact O-N 2.96Å; L103-L107 WeakPolarHBondContact O-CB 3.49Å; L103-L107 PolarHBondContact O-N 3.48Å
104	S	43.3	Very low	45.5	Very low	69 Å²	69	121.6 Å²	121.6	48%	0.483	64%	0.641	S	S	.	*	H	α-helix	trans	-63.2	-41.1	172.6	-153.4	0	0	0	0	111.1	L100 D101 A106 L107 D108	L100-S104 PolarHBondContact O-N 3.04Å; D101-S104 PolarHBondContact O-N 3.22Å; S104-A106 PolarHBondContact O-N 3.4Å; S104-L107 PolarHBondContact O-N 2.87Å; S104-D108 PolarHBondContact O-N 3.26Å; S104-D108 VanDerWaalsContact O-N 3.11Å
105	L	43	Very low	45.4	Very low	128 Å²	128	122.5 Å²	122.5	67%	0.67	64%	0.635	S	S	*	*	H	α-helix	trans	-68.6	-28.9	173.7	-78.3	161.3	0	0	0	113.9	D101 L103	D101-L105 PolarHBondContact O-N 3.29Å; D101-L105 VanDerWaalsContact O-N 3.13Å; L103-L105 VanDerWaalsContact C-N 3.34Å
106	A	45.3	Very low	45.2	Very low	50 Å²	50	120.1 Å²	120.1	41%	0.413	62%	0.62	S	S	.	*	H	α-helix	trans	-79.9	-28.7	174.9	0	0	0	0	0	113.1	E102 L103 S104	E102-A106 PolarHBondContact O-N 3.37Å; E102-A106 VanDerWaalsContact O-N 3.16Å; L103-A106 PolarHBondContact O-N 2.96Å; S104-A106 PolarHBondContact O-N 3.4Å
107	L	42	Very low	45.4	Very low	118 Å²	118	121.3 Å²	121.3	62%	0.618	62%	0.622	S	S	*	*	H	α-helix	trans	-75.3	-33.9	174.9	-98.1	141.7	0	0	0	112.6	L103 S104 R109 I110	L103-L107 WeakPolarHBondContact O-CB 3.49Å; L103-L107 PolarHBondContact O-N 3.48Å; S104-L107 PolarHBondContact O-N 2.87Å; L107-R109 PolarHBondContact O-N 2.81Å; L107-I110 PolarHBondContact O-N 3.43Å
108	D	41.5	Very low	45.5	Very low	122 Å²	122	123.4 Å²	123.4	65%	0.652	61%	0.614	S	S	*	*	G	3₁₀ helix	trans	-66.3	-20	172.6	-93.8	-6.3	0	0	0	113.2	S104	S104-D108 PolarHBondContact O-N 3.26Å; S104-D108 VanDerWaalsContact O-N 3.11Å
109	R	43.6	Very low	45.5	Very low	224 Å²	224	120.5 Å²	120.5	85%	0.845	60%	0.603	S	S	*	*	G	3₁₀ helix	trans	-82.1	-8.1	171.4	-97	-178.1	175.3	174	0.4	114.5	L107	L107-R109 PolarHBondContact O-N 2.81Å
110	I	45.5	Very low	45.3	Very low	134 Å²	134	117.7 Å²	117.7	69%	0.687	60%	0.598	S	S	*	*	G	3₁₀ helix	trans	-111.6	15.3	179.9	-54.8	172.8	0	0	0	111.2	L107 P112	L107-I110 PolarHBondContact O-N 3.43Å; I110-P112 WeakPolarHBondContact O-CD 3.07Å
111	Q	39.5	Very low	45.5	Very low	136 Å²	136	113.8 Å²	113.8	64%	0.636	58%	0.584	S	S	*	*			trans	-83	116.1	156.4	-70.9	-144.9	-2.2	0	0	109.4	M113	Q111-M113 PolarHBondContact O-N 2.83Å
112	P	42.4	Very low	45.6	Very low	78 Å²	78	112.7 Å²	112.7	51%	0.506	58%	0.577	S	S	.	*			trans	-69.5	83.6	158.8	29.7	-29.8	0	0	0	107	I110 G114 L115	I110-P112 WeakPolarHBondContact O-CD 3.07Å; P112-G114 PolarHBondContact O-N 2.96Å; P112-L115 HydrophobicContact CB-CB 3.86Å; P112-L115 HydrophobicContact CG-CB 3.83Å; P112-L115 HydrophobicContact CG-CD2 4.16Å; P112-L115 PolarHBondContact O-N 3.34Å
113	M	41.3	Very low	45.4	Very low	180 Å²	180	108.5 Å²	108.5	89%	0.887	57%	0.566	S	S	*	*	T	Hydrogen-bonded Turn	trans	-54.1	110.5	165.3	-89.6	-155.5	-80.8	0	0	107	Q111	Q111-M113 PolarHBondContact O-N 2.83Å
114	G	50.8	Low	45.7	Very low	20 Å²	20	110 Å²	110	21%	0.206	57%	0.571	C	S	.	*	T	Hydrogen-bonded Turn	trans	116.6	-17.7	-176.1	0	0	0	0	0	115.7	P112 R118	P112-G114 PolarHBondContact O-N 2.96Å; G114-R118 WeakPolarHBondContact O-CB 3.49Å; G114-R118 WeakPolarHBondContact O-CD 3.38Å; G114-R118 WeakPolarHBondContact O-CG 3.46Å; G114-R118 PolarHBondContact O-N 3.47Å; G114-R118 VanDerWaalsContact O-N 3.15Å
115	L	45	Very low	46.1	Very low	94 Å²	94	111.2 Å²	111.2	49%	0.492	57%	0.572	S	S	.	*	H	α-helix	trans	-84.4	-41.4	175.7	-173.2	65.3	0	0	0	111.9	P112 R118 I119	P112-L115 HydrophobicContact CB-CB 3.86Å; P112-L115 HydrophobicContact CG-CB 3.83Å; P112-L115 HydrophobicContact CG-CD2 4.16Å; P112-L115 PolarHBondContact O-N 3.34Å; L115-R118 PolarHBondContact O-N 3.47Å; L115-I119 HydrophobicContact CD1-CD1 4.23Å; L115-I119 HydrophobicContact CD1-CG1 4.42Å; L115-I119 HydrophobicContact CD2-CD1 4.45Å; L115-I119 HydrophobicContact CG-CD1 3.86Å; L115-I119 HydrophobicContact CG-CG1 4.43Å; L115-I119 WeakPolarHBondContact O-CB 3.35Å; L115-I119 WeakPolarHBondContact O-CG1 3.47Å; L115-I119 PolarHBondContact O-N 2.67Å
116	V	47	Very low	46.2	Very low	94 Å²	94	111.3 Å²	111.3	57%	0.57	57%	0.571	S	S	*	*	H	α-helix	trans	-68.7	-41.7	176.7	-179.8	0	0	0	0	110.4	R118 I119 Q120	V116-R118 VanDerWaalsContact C-N 3.34Å; V116-R118 PolarHBondContact O-N 3.45Å; V116-I119 PolarHBondContact O-N 2.82Å; V116-Q120 WeakPolarHBondContact O-CB 3.42Å; V116-Q120 PolarHBondContact O-N 2.9Å
117	E	50.6	Low	46.4	Very low	144 Å²	144	112.4 Å²	112.4	67%	0.673	58%	0.575	S	S	*	*	H	α-helix	trans	-65	-34.6	172.9	-72.7	175.5	151.2	0	0	112.5	A121	E117-A121 WeakPolarHBondContact O-CB 3.31Å; E117-A121 PolarHBondContact O-N 3.15Å
118	R	49.3	Very low	46.8	Very low	179 Å²	179	110.2 Å²	110.2	68%	0.675	56%	0.564	S	S	*	*	H	α-helix	trans	-71.3	-39.4	172.1	-78.7	171.3	-170.6	-172.7	1.8	112.5	G114 L115 V116 Q120 A121 I122	G114-R118 WeakPolarHBondContact O-CB 3.49Å; G114-R118 WeakPolarHBondContact O-CD 3.38Å; G114-R118 WeakPolarHBondContact O-CG 3.46Å; G114-R118 PolarHBondContact O-N 3.47Å; G114-R118 VanDerWaalsContact O-N 3.15Å; L115-R118 PolarHBondContact O-N 3.47Å; V116-R118 VanDerWaalsContact C-N 3.34Å; V116-R118 PolarHBondContact O-N 3.45Å; R118-Q120 VanDerWaalsContact C-N 3.32Å; R118-A121 PolarHBondContact O-N 2.86Å; R118-I122 WeakPolarHBondContact O-CB 3.16Å; R118-I122 VanDerWaalsContact O-CD1 3.29Å; R118-I122 WeakPolarHBondContact O-CD1 3.47Å; R118-I122 WeakPolarHBondContact O-CG1 3.43Å; R118-I122 PolarHBondContact O-N 3.13Å
119	I	49.3	Very low	47.2	Very low	99 Å²	99	109.6 Å²	109.6	51%	0.508	56%	0.559	S	S	.	*	H	α-helix	trans	-67	-38.3	175.8	-71.5	167.4	0	0	0	110	L115 V116 I122 A123	L115-I119 HydrophobicContact CD1-CD1 4.23Å; L115-I119 HydrophobicContact CD1-CG1 4.42Å; L115-I119 HydrophobicContact CD2-CD1 4.45Å; L115-I119 HydrophobicContact CG-CD1 3.86Å; L115-I119 HydrophobicContact CG-CG1 4.43Å; L115-I119 WeakPolarHBondContact O-CB 3.35Å; L115-I119 WeakPolarHBondContact O-CG1 3.47Å; L115-I119 PolarHBondContact O-N 2.67Å; V116-I119 PolarHBondContact O-N 2.82Å; I119-I122 PolarHBondContact O-N 3Å; I119-A123 WeakPolarHBondContact O-CB 3.11Å; I119-A123 PolarHBondContact O-N 2.88Å
120	Q	46.8	Very low	47.4	Very low	114 Å²	114	101.6 Å²	101.6	53%	0.533	54%	0.541	S	S	.	.	H	α-helix	trans	-75	-35.9	178.8	-156.9	155.3	0.2	0	0	111.5	V116 R118 A123 Q124	V116-Q120 WeakPolarHBondContact O-CB 3.42Å; V116-Q120 PolarHBondContact O-N 2.9Å; R118-Q120 VanDerWaalsContact C-N 3.32Å; Q120-A123 PolarHBondContact O-N 2.92Å; Q120-Q124 WeakPolarHBondContact O-CB 3.45Å; Q120-Q124 VanDerWaalsContact O-CG 3.3Å; Q120-Q124 WeakPolarHBondContact O-CG 3.43Å; Q120-Q124 PolarHBondContact O-N 3.04Å; Q120-Q124 PolarHBondContact O-OE1 3.16Å
121	A	49.5	Very low	47.8	Very low	49 Å²	49	100.4 Å²	100.4	41%	0.405	54%	0.535	S	S	.	.	H	α-helix	trans	-68.4	-36.5	169.5	0	0	0	0	0	112.3	E117 R118 N125	E117-A121 WeakPolarHBondContact O-CB 3.31Å; E117-A121 PolarHBondContact O-N 3.15Å; R118-A121 PolarHBondContact O-N 2.86Å; A121-N125 VanDerWaalsContact O-CB 3.26Å; A121-N125 WeakPolarHBondContact O-CB 3.21Å; A121-N125 PolarHBondContact O-N 3.37Å
122	I	50	Low	48.6	Very low	98 Å²	98	101 Å²	101	50%	0.503	53%	0.532	S	S	.	.	H	α-helix	trans	-69.7	-42.8	173.7	-71.5	163	0	0	0	110	R118 I119 N125 M126	R118-I122 WeakPolarHBondContact O-CB 3.16Å; R118-I122 VanDerWaalsContact O-CD1 3.29Å; R118-I122 WeakPolarHBondContact O-CD1 3.47Å; R118-I122 WeakPolarHBondContact O-CG1 3.43Å; R118-I122 PolarHBondContact O-N 3.13Å; I119-I122 PolarHBondContact O-N 3Å; I122-N125 PolarHBondContact O-N 3.34Å; I122-M126 HydrophobicContact CG2-CG 4.26Å; I122-M126 HydrophobicContact CG2-SD 3.82Å; I122-M126 VanDerWaalsContact O-CB 3.24Å; I122-M126 WeakPolarHBondContact O-CB 3.28Å; I122-M126 WeakPolarHBondContact O-CG 3.34Å; I122-M126 PolarHBondContact O-N 3.09Å
123	A	42.7	Very low	49.2	Very low	52 Å²	52	101.2 Å²	101.2	43%	0.43	53%	0.531	S	S	.	.	H	α-helix	trans	-66.2	-38.3	176.2	0	0	0	0	0	111.8	I119 Q120 S127	I119-A123 WeakPolarHBondContact O-CB 3.11Å; I119-A123 PolarHBondContact O-N 2.88Å; Q120-A123 PolarHBondContact O-N 2.92Å; A123-S127 WeakPolarHBondContact O-CB 3.5Å; A123-S127 PolarHBondContact O-N 3.43Å
124	Q	51.3	Low	49.5	Very low	127 Å²	127	97.7 Å²	97.7	59%	0.593	51%	0.513	S	S	*	.	H	α-helix	trans	-69.8	-41.1	173	-79.4	171.4	-35.4	0	0	111.6	Q120 M126 S127 D128	Q120-Q124 WeakPolarHBondContact O-CB 3.45Å; Q120-Q124 VanDerWaalsContact O-CG 3.3Å; Q120-Q124 WeakPolarHBondContact O-CG 3.43Å; Q120-Q124 PolarHBondContact O-N 3.04Å; Q120-Q124 PolarHBondContact O-OE1 3.16Å; Q124-M126 VanDerWaalsContact C-N 3.34Å; Q124-M126 PolarHBondContact O-N 2.91Å; Q124-S127 PolarHBondContact O-N 3.36Å; Q124-D128 VanDerWaalsContact O-CB 3.26Å; Q124-D128 WeakPolarHBondContact O-CB 3.47Å; Q124-D128 PolarHBondContact O-N 3.42Å
125	N	51.6	Low	49.6	Very low	96 Å²	96	101.9 Å²	101.9	51%	0.513	53%	0.527	S	S	.	.	H	α-helix	trans	-67	-34	173.8	-116.3	-18.9	0	0	0	112.4	A121 I122 M129	A121-N125 VanDerWaalsContact O-CB 3.26Å; A121-N125 WeakPolarHBondContact O-CB 3.21Å; A121-N125 PolarHBondContact O-N 3.37Å; I122-N125 PolarHBondContact O-N 3.34Å; N125-M129 HydrophobicContact CB-CE 4.15Å; N125-M129 WeakPolarHBondContact O-CB 3.27Å; N125-M129 WeakPolarHBondContact O-CG 3.45Å; N125-M129 PolarHBondContact O-N 2.95Å
126	M	45.7	Very low	50.2	Low	129 Å²	129	102.8 Å²	102.8	64%	0.635	53%	0.531	S	S	*	.	H	α-helix	trans	-73.2	-35.7	175.7	-74.6	-179.1	78.7	0	0	111.3	I122 Q124 A130	I122-M126 HydrophobicContact CG2-CG 4.26Å; I122-M126 HydrophobicContact CG2-SD 3.82Å; I122-M126 VanDerWaalsContact O-CB 3.24Å; I122-M126 WeakPolarHBondContact O-CB 3.28Å; I122-M126 WeakPolarHBondContact O-CG 3.34Å; I122-M126 PolarHBondContact O-N 3.09Å; Q124-M126 VanDerWaalsContact C-N 3.34Å; Q124-M126 PolarHBondContact O-N 2.91Å; M126-A130 WeakPolarHBondContact O-CB 3.21Å; M126-A130 PolarHBondContact O-N 2.74Å
127	S	49.3	Very low	50.2	Low	74 Å²	74	102.7 Å²	102.7	52%	0.517	53%	0.527	S	S	.	.	H	α-helix	trans	-69.3	-39.4	169.8	-95.4	0	0	0	0	112.5	A123 Q124 A130 L131	A123-S127 WeakPolarHBondContact O-CB 3.5Å; A123-S127 PolarHBondContact O-N 3.43Å; Q124-S127 PolarHBondContact O-N 3.36Å; S127-A130 PolarHBondContact O-N 2.86Å; S127-L131 WeakPolarHBondContact O-CB 3.42Å; S127-L131 WeakPolarHBondContact O-CG 3.44Å; S127-L131 PolarHBondContact O-N 3.45Å
128	D	50.2	Low	50.2	Low	72 Å²	72	101.9 Å²	101.9	39%	0.385	52%	0.523	S	S	.	.	H	α-helix	trans	-73.2	-33.3	178.5	-146.6	48.9	0	0	0	110.8	Q124 R132	Q124-D128 VanDerWaalsContact O-CB 3.26Å; Q124-D128 WeakPolarHBondContact O-CB 3.47Å; Q124-D128 PolarHBondContact O-N 3.42Å; D128-R132 VanDerWaalsContact O-CB 3.27Å; D128-R132 WeakPolarHBondContact O-CB 3.32Å; D128-R132 WeakPolarHBondContact O-CG 3.44Å; D128-R132 PolarHBondContact O-N 2.84Å; D128-R132 IonicContact OD2-CZ 3.46Å; D128-R132 IonicContact OD2-NE 3.55Å; D128-R132 IonicContact OD2-NH2 3.15Å; D128-R132 PolarHBondContact OD2-NH2 3.49Å
129	M	49.7	Very low	50.1	Low	108 Å²	108	101.7 Å²	101.7	53%	0.532	52%	0.522	S	S	.	.	H	α-helix	trans	-69.5	-40	167.1	-82.5	-173.8	-113.7	0	0	112.2	N125 R132 V133	N125-M129 HydrophobicContact CB-CE 4.15Å; N125-M129 WeakPolarHBondContact O-CB 3.27Å; N125-M129 WeakPolarHBondContact O-CG 3.45Å; N125-M129 PolarHBondContact O-N 2.95Å; M129-R132 CarbonylContact O-C 3.6Å; M129-R132 PolarHBondContact O-N 3.36Å; M129-V133 WeakPolarHBondContact O-CB 3.3Å; M129-V133 WeakPolarHBondContact O-CG2 3.45Å; M129-V133 PolarHBondContact O-N 2.9Å
130	A	47.1	Very low	50.1	Low	57 Å²	57	100.1 Å²	100.1	47%	0.471	52%	0.52	S	S	.	.	H	α-helix	trans	-63.9	-41.9	175.4	0	0	0	0	0	111.1	M126 S127 V133 E134	M126-A130 WeakPolarHBondContact O-CB 3.21Å; M126-A130 PolarHBondContact O-N 2.74Å; S127-A130 PolarHBondContact O-N 2.86Å; A130-V133 PolarHBondContact O-N 3.27Å; A130-E134 VanDerWaalsContact O-CB 3.29Å; A130-E134 WeakPolarHBondContact O-CB 3.49Å; A130-E134 PolarHBondContact O-N 2.8Å
131	L	53.8	Low	50.2	Low	108 Å²	108	99.3 Å²	99.3	57%	0.565	52%	0.522	S	S	*	.	H	α-helix	trans	-68.4	-33.9	173.8	-77.5	165.2	0	0	0	112.6	S127 Q135	S127-L131 WeakPolarHBondContact O-CB 3.42Å; S127-L131 WeakPolarHBondContact O-CG 3.44Å; S127-L131 PolarHBondContact O-N 3.45Å; L131-Q135 VanDerWaalsContact O-CB 3.28Å; L131-Q135 WeakPolarHBondContact O-CB 3.4Å; L131-Q135 WeakPolarHBondContact O-CG 3.35Å; L131-Q135 PolarHBondContact O-N 3.46Å
132	R	57.3	Low	49.8	Very low	150 Å²	150	100.1 Å²	100.1	57%	0.566	53%	0.529	S	S	*	.	H	α-helix	trans	-71	-37	172	-77.7	175.1	-167.2	-157.3	5.9	112.2	D128 M129 Q135 I136	D128-R132 VanDerWaalsContact O-CB 3.27Å; D128-R132 WeakPolarHBondContact O-CB 3.32Å; D128-R132 WeakPolarHBondContact O-CG 3.44Å; D128-R132 PolarHBondContact O-N 2.84Å; D128-R132 IonicContact OD2-CZ 3.46Å; D128-R132 IonicContact OD2-NE 3.55Å; D128-R132 IonicContact OD2-NH2 3.15Å; D128-R132 PolarHBondContact OD2-NH2 3.49Å; M129-R132 CarbonylContact O-C 3.6Å; M129-R132 PolarHBondContact O-N 3.36Å; R132-Q135 PolarHBondContact O-N 2.94Å; R132-I136 VanDerWaalsContact O-CB 3.28Å; R132-I136 WeakPolarHBondContact O-CB 3.36Å; R132-I136 WeakPolarHBondContact O-CD1 3.42Å; R132-I136 WeakPolarHBondContact O-CG1 3.48Å; R132-I136 PolarHBondContact O-N 2.63Å
133	V	54.3	Low	49.4	Very low	81 Å²	81	102.3 Å²	102.3	49%	0.491	54%	0.542	S	S	.	.	H	α-helix	trans	-68	-40.4	173.5	170.2	0	0	0	0	109.9	M129 A130 I136 L137	M129-V133 WeakPolarHBondContact O-CB 3.3Å; M129-V133 WeakPolarHBondContact O-CG2 3.45Å; M129-V133 PolarHBondContact O-N 2.9Å; A130-V133 PolarHBondContact O-N 3.27Å; V133-I136 PolarHBondContact O-N 3.14Å; V133-L137 HydrophobicContact CG1-CD1 3.93Å; V133-L137 VanDerWaalsContact O-CB 3.29Å; V133-L137 WeakPolarHBondContact O-CB 3.49Å; V133-L137 WeakPolarHBondContact O-CD1 3.21Å; V133-L137 VanDerWaalsContact O-CG 3.32Å; V133-L137 WeakPolarHBondContact O-CG 3.39Å; V133-L137 PolarHBondContact O-N 2.76Å
134	E	48.6	Very low	49.4	Very low	107 Å²	107	103.7 Å²	103.7	50%	0.5	55%	0.548	S	S	.	.	H	α-helix	trans	-64.7	-40	172.3	-161.3	74.9	-151.6	0	0	111.4	A130 L137 Q138	A130-E134 VanDerWaalsContact O-CB 3.29Å; A130-E134 WeakPolarHBondContact O-CB 3.49Å; A130-E134 PolarHBondContact O-N 2.8Å; E134-L137 PolarHBondContact O-N 3.22Å; E134-Q138 VanDerWaalsContact O-CB 3.31Å; E134-Q138 WeakPolarHBondContact O-CB 3.39Å; E134-Q138 VanDerWaalsContact O-CG 3.29Å; E134-Q138 WeakPolarHBondContact O-CG 3.46Å; E134-Q138 PolarHBondContact O-N 2.77Å
135	Q	53.2	Low	48.8	Very low	108 Å²	108	108.4 Å²	108.4	51%	0.505	56%	0.561	S	S	.	*	H	α-helix	trans	-71.1	-31.3	173.8	-86.5	-177.5	-14.9	0	0	113.1	L131 R132 R139	L131-Q135 VanDerWaalsContact O-CB 3.28Å; L131-Q135 WeakPolarHBondContact O-CB 3.4Å; L131-Q135 WeakPolarHBondContact O-CG 3.35Å; L131-Q135 PolarHBondContact O-N 3.46Å; R132-Q135 PolarHBondContact O-N 2.94Å; Q135-R139 WeakPolarHBondContact O-CB 3.35Å; Q135-R139 VanDerWaalsContact O-CG 3.23Å; Q135-R139 WeakPolarHBondContact O-CG 3.17Å; Q135-R139 PolarHBondContact O-N 2.76Å
136	I	55.9	Low	48.2	Very low	113 Å²	113	106.6 Å²	106.6	58%	0.579	57%	0.565	S	S	*	*	H	α-helix	trans	-71.8	-41.7	173.1	-72.6	162.3	0	0	0	109.5	R132 V133 R139 S140	R132-I136 VanDerWaalsContact O-CB 3.28Å; R132-I136 WeakPolarHBondContact O-CB 3.36Å; R132-I136 WeakPolarHBondContact O-CD1 3.42Å; R132-I136 WeakPolarHBondContact O-CG1 3.48Å; R132-I136 PolarHBondContact O-N 2.63Å; V133-I136 PolarHBondContact O-N 3.14Å; I136-R139 PolarHBondContact O-N 3.15Å; I136-S140 WeakPolarHBondContact O-CB 3.07Å; I136-S140 PolarHBondContact O-N 2.88Å; I136-S140 PolarHBondContact O-OG 3.16Å
137	L	48.9	Very low	47.7	Very low	91 Å²	91	110 Å²	110	48%	0.476	58%	0.577	S	S	.	*	H	α-helix	trans	-61.2	-48.1	171.6	-80.1	160.9	0	0	0	110.5	V133 E134 R139 S140 V141	V133-L137 HydrophobicContact CG1-CD1 3.93Å; V133-L137 VanDerWaalsContact O-CB 3.29Å; V133-L137 WeakPolarHBondContact O-CB 3.49Å; V133-L137 WeakPolarHBondContact O-CD1 3.21Å; V133-L137 VanDerWaalsContact O-CG 3.32Å; V133-L137 WeakPolarHBondContact O-CG 3.39Å; V133-L137 PolarHBondContact O-N 2.76Å; E134-L137 PolarHBondContact O-N 3.22Å; L137-R139 PolarHBondContact O-N 2.93Å; L137-S140 WeakPolarHBondContact CA-OG 3.25Å; L137-S140 PolarHBondContact O-N 3.21Å; L137-S140 PolarHBondContact O-OG 2.83Å; L137-V141 VanDerWaalsContact O-CG2 3.26Å; L137-V141 WeakPolarHBondContact O-CG2 3.4Å; L137-V141 PolarHBondContact O-N 3.37Å
138	Q	50.3	Low	47	Very low	127 Å²	127	114.6 Å²	114.6	59%	0.593	60%	0.595	S	S	*	*	H	α-helix	trans	-67.9	-34.8	177.3	-74	-170.3	4.5	0	0	113.3	E134 V141 A142	E134-Q138 VanDerWaalsContact O-CB 3.31Å; E134-Q138 WeakPolarHBondContact O-CB 3.39Å; E134-Q138 VanDerWaalsContact O-CG 3.29Å; E134-Q138 WeakPolarHBondContact O-CG 3.46Å; E134-Q138 PolarHBondContact O-N 2.77Å; Q138-V141 PolarHBondContact O-N 2.89Å; Q138-A142 VanDerWaalsContact O-CB 3.27Å; Q138-A142 WeakPolarHBondContact O-CB 3.46Å; Q138-A142 PolarHBondContact O-N 2.8Å
139	R	45.7	Very low	46.3	Very low	176 Å²	176	113.7 Å²	113.7	66%	0.664	60%	0.603	S	S	*	*	H	α-helix	trans	-69.3	-32.3	171.9	-80.4	176.5	176.7	172.8	1	112.2	Q135 I136 L137 N143	Q135-R139 WeakPolarHBondContact O-CB 3.35Å; Q135-R139 VanDerWaalsContact O-CG 3.23Å; Q135-R139 WeakPolarHBondContact O-CG 3.17Å; Q135-R139 PolarHBondContact O-N 2.76Å; I136-R139 PolarHBondContact O-N 3.15Å; L137-R139 PolarHBondContact O-N 2.93Å; R139-N143 WeakPolarHBondContact O-CB 3.42Å; R139-N143 PolarHBondContact O-N 2.92Å
140	S	50.8	Low	45.9	Very low	66 Å²	66	115.3 Å²	115.3	46%	0.462	62%	0.618	S	S	.	*	H	α-helix	trans	-71.5	-34.5	173.4	75.4	0	0	0	0	112.6	I136 L137 S144	I136-S140 WeakPolarHBondContact O-CB 3.07Å; I136-S140 PolarHBondContact O-N 2.88Å; I136-S140 PolarHBondContact O-OG 3.16Å; L137-S140 WeakPolarHBondContact CA-OG 3.25Å; L137-S140 PolarHBondContact O-N 3.21Å; L137-S140 PolarHBondContact O-OG 2.83Å; S140-S144 PolarHBondContact O-N 3.13Å; S140-S144 PolarHBondContact O-OG 3.27Å
141	V	48.4	Very low	45.7	Very low	96 Å²	96	120.2 Å²	120.2	58%	0.582	63%	0.629	S	S	*	*	H	α-helix	trans	-75.8	-27.8	174.1	175.7	0	0	0	0	112	L137 Q138 S144	L137-V141 VanDerWaalsContact O-CG2 3.26Å; L137-V141 WeakPolarHBondContact O-CG2 3.4Å; L137-V141 PolarHBondContact O-N 3.37Å; Q138-V141 PolarHBondContact O-N 2.89Å; V141-S144 WeakPolarHBondContact CA-OG 3.39Å; V141-S144 PolarHBondContact O-OG 3.34Å
142	A	41.3	Very low	45.4	Very low	67 Å²	67	118 Å²	118	55%	0.554	63%	0.633	S	S	*	*	H	α-helix	trans	-82	-34.3	175.4	0	0	0	0	0	113.3	Q138 S144	Q138-A142 VanDerWaalsContact O-CB 3.27Å; Q138-A142 WeakPolarHBondContact O-CB 3.46Å; Q138-A142 PolarHBondContact O-N 2.8Å; A142-S144 VanDerWaalsContact C-N 3.31Å; A142-S144 PolarHBondContact O-N 3.13Å
143	N	40.8	Very low	45.6	Very low	144 Å²	144	115.5 Å²	115.5	77%	0.77	64%	0.638	S	S	*	*	H	α-helix	trans	-78.1	-10	176.6	-90.2	-2.7	0	0	0	114.2	R139	R139-N143 WeakPolarHBondContact O-CB 3.42Å; R139-N143 PolarHBondContact O-N 2.92Å
144	S	42.6	Very low	46.7	Very low	80 Å²	80	112.4 Å²	112.4	56%	0.559	62%	0.62	S	S	*	*	T	Hydrogen-bonded Turn	trans	-85.8	-3.9	175.1	38.9	0	0	0	0	113.9	S140 V141 A142 G146	S140-S144 PolarHBondContact O-N 3.13Å; S140-S144 PolarHBondContact O-OG 3.27Å; V141-S144 WeakPolarHBondContact CA-OG 3.39Å; V141-S144 PolarHBondContact O-OG 3.34Å; A142-S144 VanDerWaalsContact C-N 3.31Å; A142-S144 PolarHBondContact O-N 3.13Å; S144-G146 VanDerWaalsContact C-N 3.27Å; S144-G146 PolarHBondContact O-N 3.19Å
145	R	39.4	Very low	48.3	Very low	226 Å²	226	115 Å²	115	85%	0.853	63%	0.632	S	S	*	*	T	Hydrogen-bonded Turn	trans	-88.4	20.5	173.7	-74.5	-171.9	175.3	-177	-0.7	114.7
146	G	38.2	Very low	49.8	Very low	59 Å²	59	111.3 Å²	111.3	61%	0.608	62%	0.617	S	S	*	*	S	Bend	trans	-136.2	48.2	-174.1	0	0	0	0	0	113.7	S144	S144-G146 VanDerWaalsContact C-N 3.27Å; S144-G146 PolarHBondContact O-N 3.19Å
147	K	35.2	Very low	51.1	Low	201 Å²	201	107.7 Å²	107.7	87%	0.874	60%	0.601	S	S	*	*			trans	-177	69.2	156.4	-104.5	170.8	-175.8	-177.7	0	109.4	G149	K147-G149 PolarHBondContact O-N 3.26Å
148	D	36	Very low	52.6	Low	169 Å²	169	112.5 Å²	112.5	90%	0.904	62%	0.618	S	S	*	*			trans	-71.7	86.1	162.7	-81.4	-34.9	0	0	0	108.7
149	G	34.1	Very low	54.1	Low	53 Å²	53	109 Å²	109	55%	0.546	60%	0.603	S	S	.	*			trans	-109.5	101.2	159.2	0	0	0	0	0	107.8	K147 F151	K147-G149 PolarHBondContact O-N 3.26Å; G149-F151 PolarHBondContact O-N 2.84Å; G149-F151 VanDerWaalsContact O-N 3.16Å
150	V	41.8	Very low	56.1	Low	142 Å²	142	106.2 Å²	106.2	86%	0.861	61%	0.608	S	S	*	*			trans	4.9	91.4	164.8	-170.6	0	0	0	0	115.1
151	F	43	Very low	57.8	Low	160 Å²	160	110.8 Å²	110.8	70%	0.702	62%	0.622	S	S	*	*			trans	-130.7	115.9	155.8	-91.4	-85.3	0	0	0	107.7	G149 W210	G149-F151 PolarHBondContact O-N 2.84Å; G149-F151 VanDerWaalsContact O-N 3.16Å; F151-W210 HydrophobicContact CE1-CB 4.04Å; F151-W210 AromaticContact CE1-CD1 3.75Å; F151-W210 AromaticContact CE1-CG 3.9Å; F151-W210 HydrophobicContact CE1-CG 3.9Å; F151-W210 HydrophobicContact CZ-CB 4.47Å
152	G	48.5	Very low	59.7	Low	62 Å²	62	109.7 Å²	109.7	64%	0.639	61%	0.608	S	S	*	*			trans	-60.3	160.3	175.3	0	0	0	0	0	111.6	C154	G152-C154 PolarHBondContact O-N 2.87Å
153	S	61.3	Low	62.1	Low	97 Å²	97	111.2 Å²	111.2	68%	0.678	61%	0.612	S	S	*	*			trans	-38.4	125.4	168.2	-179.1	0	0	0	0	110.7	E155	S153-E155 PolarHBondContact O-N 3.41Å
154	C	75.9	Confident	64.6	Low	16 Å²	16	108.4 Å²	108.4	11%	0.108	60%	0.597	C	S	.	*			trans	-68	89	171.8	-66	0	0	0	0	108.8	G152 C192 L195	G152-C154 PolarHBondContact O-N 2.87Å; C154-C192 HydrophobicContact CB-CB 3.88Å; C154-C192 WeakPolarHBondContact CB-SG 3.32Å; C154-C192 WeakPolarHBondContact SG-CA 3.43Å; C154-C192 WeakPolarHBondContact SG-CB 3.45Å; C154-C192 CovalentContact SG-SG 2.04Å; C154-C192 PolarHBondContact SG-SG 3Å; C154-L195 HydrophobicContact CB-CD2 4.05Å
155	E	82.4	Confident	67	Low	161 Å²	161	104.6 Å²	104.6	75%	0.752	57%	0.57	S	S	*	*	P	Polyproline II helix	trans	-66.9	140.3	175.4	-67.9	-173	174.7	0	0	110.3	S153 P157	S153-E155 PolarHBondContact O-N 3.41Å; E155-P157 VanDerWaalsContact O-CD 3.28Å; E155-P157 WeakPolarHBondContact O-CD 3.43Å
156	T	84.3	Confident	69.5	Low	32 Å²	32	96.5 Å²	96.5	20%	0.196	55%	0.546	C	S	.	.	P	Polyproline II helix	trans	-68.6	119.1	179.5	-56.4	0	0	0	0	110.5	M169 R173	T156-M169 HydrophobicContact CG2-CB 4.1Å; T156-M169 HydrophobicContact CG2-CG 3.75Å; T156-R173 PolarHBondContact OG1-NH2 3.28Å
157	P	83.9	Confident	72.2	Confident	37 Å²	37	96.9 Å²	96.9	24%	0.24	54%	0.539	C	S	.	.	P	Polyproline II helix	trans	-63.2	139.6	178.7	-21.7	33.5	0	0	0	111.9	E155 L195 P206	E155-P157 VanDerWaalsContact O-CD 3.28Å; E155-P157 WeakPolarHBondContact O-CD 3.43Å; P157-L195 VanDerWaalsContact CD-CD1 3.45Å; P157-L195 HydrophobicContact CG-CD1 4.04Å; P157-L195 HydrophobicContact CG-CD2 4.42Å; P157-P206 HydrophobicContact CB-CG 4.05Å; P157-P206 HydrophobicContact CG-CG 4.49Å
158	K	81.1	Confident	74.9	Confident	192 Å²	192	90.1 Å²	90.1	84%	0.835	51%	0.51	S	S	*	.			trans	-109.3	76.5	170.6	-66	-178.2	-178.3	177.6	0	109
159	D	82.1	Confident	77.7	Confident	53 Å²	53	82 Å²	82	28%	0.283	47%	0.467	S	S	.	.			trans	-103	122.4	177.9	-170.3	-25.3	0	0	0	109.7	H161 Y162 P206	D159-H161 PolarHBondContact O-N 2.79Å; D159-H161 VanDerWaalsContact O-N 3.15Å; D159-H161 WeakPolarHBondContact OD1-CB 3.47Å; D159-H161 IonicContact OD1-CG 3.32Å; D159-H161 PolarHBondContact OD1-N 2.91Å; D159-H161 IonicContact OD1-ND1 2.71Å; D159-H161 PolarHBondContact OD1-ND1 2.82Å; D159-Y162 HydrophobicContact CB-CD2 4.23Å; D159-Y162 CarbonylContact O-C 3.58Å; D159-Y162 VanDerWaalsContact O-C 3.31Å; D159-Y162 PolarHBondContact O-N 3.14Å; D159-P206 HydrophobicContact CB-CG 3.84Å
160	P	87.2	Confident	80.6	Confident	118 Å²	118	83.7 Å²	83.7	77%	0.766	46%	0.463	S	S	*	.	T	Hydrogen-bonded Turn	trans	-55.8	-25.2	174.9	-25.9	35.2	0	0	0	114.7	Y162	P160-Y162 VanDerWaalsContact C-N 3.25Å; P160-Y162 PolarHBondContact O-N 2.91Å
161	H	86.9	Confident	83.1	Confident	161 Å²	161	81 Å²	81	75%	0.745	44%	0.438	S	S	*	.	T	Hydrogen-bonded Turn	trans	-75.2	-15.2	175.8	-58.4	89.1	0	0	0	113.1	D159 P163	D159-H161 PolarHBondContact O-N 2.79Å; D159-H161 VanDerWaalsContact O-N 3.15Å; D159-H161 WeakPolarHBondContact OD1-CB 3.47Å; D159-H161 IonicContact OD1-CG 3.32Å; D159-H161 PolarHBondContact OD1-N 2.91Å; D159-H161 IonicContact OD1-ND1 2.71Å; D159-H161 PolarHBondContact OD1-ND1 2.82Å; H161-P163 VanDerWaalsContact C-CD 3.43Å; H161-P163 WeakPolarHBondContact O-CD 3.41Å
162	Y	88.3	Confident	85.6	Confident	73 Å²	73	73.5 Å²	73.5	29%	0.286	41%	0.405	S	S	.	.			trans	-126.4	63.8	179.5	-67	-90.2	0	0	0	110.3	D159 P160 D164 C165 W203 C205 P206	D159-Y162 HydrophobicContact CB-CD2 4.23Å; D159-Y162 CarbonylContact O-C 3.58Å; D159-Y162 VanDerWaalsContact O-C 3.31Å; D159-Y162 PolarHBondContact O-N 3.14Å; P160-Y162 VanDerWaalsContact C-N 3.25Å; P160-Y162 PolarHBondContact O-N 2.91Å; Y162-D164 PolarHBondContact O-N 3.48Å; Y162-D164 VanDerWaalsContact O-N 3.17Å; Y162-C165 WeakPolarHBondContact O-CB 3.22Å; Y162-C165 PolarHBondContact O-N 2.88Å; Y162-C165 VanDerWaalsContact O-N 3.12Å; Y162-W203 WeakPolarHBondContact CE1-O 3.43Å; Y162-C205 WeakPolarHBondContact CE1-O 3.5Å; Y162-P206 HydrophobicContact CD2-CB 4.14Å; Y162-P206 HydrophobicContact CD2-CG 3.57Å; Y162-P206 HydrophobicContact CE2-CB 4.06Å; Y162-P206 HydrophobicContact CE2-CG 4.01Å; Y162-P206 HydrophobicContact CG-CG 4Å
163	P	91.8	Very high	87.8	Confident	99 Å²	99	75.1 Å²	75.1	64%	0.643	39%	0.391	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.1	-27.3	-171.1	26.5	-35.6	0	0	0	113.2	H161	H161-P163 VanDerWaalsContact C-CD 3.43Å; H161-P163 WeakPolarHBondContact O-CD 3.41Å
164	D	92.3	Very high	89.5	Confident	85 Å²	85	74 Å²	74	46%	0.455	39%	0.389	S	S	.	.	T	Hydrogen-bonded Turn	trans	-85.9	-7.1	-178.8	-66.9	-36.7	0	0	0	113.9	Y162 T166 S167 K168 F204	Y162-D164 PolarHBondContact O-N 3.48Å; Y162-D164 VanDerWaalsContact O-N 3.17Å; D164-T166 VanDerWaalsContact C-N 3.32Å; D164-T166 PolarHBondContact O-N 3.46Å; D164-S167 PolarHBondContact O-N 3.05Å; D164-S167 PolarHBondContact O-OG 3.18Å; D164-K168 HydrophobicContact CB-CG 4.4Å; D164-K168 VanDerWaalsContact O-CB 3.27Å; D164-K168 WeakPolarHBondContact O-CB 3.29Å; D164-K168 VanDerWaalsContact O-CG 3.23Å; D164-K168 WeakPolarHBondContact O-CG 3.46Å; D164-K168 PolarHBondContact O-N 2.88Å; D164-F204 HydrophobicContact CB-CD1 3.91Å
165	C	93.2	Very high	90.4	Very high	0 Å²	0	80.4 Å²	80.4	0%	0	41%	0.41	C	S	.	.	H	α-helix	trans	-57.3	-46	-175.3	-180	0	0	0	0	111.8	Y162 K168 M169 F204 C205	Y162-C165 WeakPolarHBondContact O-CB 3.22Å; Y162-C165 PolarHBondContact O-N 2.88Å; Y162-C165 VanDerWaalsContact O-N 3.12Å; C165-K168 PolarHBondContact O-N 3.24Å; C165-M169 WeakPolarHBondContact O-CB 3.3Å; C165-M169 VanDerWaalsContact O-CG 3.28Å; C165-M169 WeakPolarHBondContact O-CG 3.31Å; C165-M169 PolarHBondContact O-N 2.82Å; C165-F204 VanDerWaalsContact CA-O 3.3Å; C165-F204 WeakPolarHBondContact CA-O 3.41Å; C165-F204 WeakPolarHBondContact CB-O 3.33Å; C165-F204 PolarHBondContact N-O 3.29Å; C165-C205 WeakPolarHBondContact CA-SG 3.34Å; C165-C205 HydrophobicContact CB-CB 4.01Å; C165-C205 WeakPolarHBondContact CB-SG 3.47Å; C165-C205 WeakPolarHBondContact SG-CB 3.3Å; C165-C205 CovalentContact SG-SG 2.04Å; C165-C205 PolarHBondContact SG-SG 3.27Å
166	T	92.6	Very high	91	Very high	56 Å²	56	75.4 Å²	75.4	34%	0.344	39%	0.385	S	S	.	.	H	α-helix	trans	-66.3	-47.9	-177.2	-58.6	0	0	0	0	111.7	D164 K168 M169 D170	D164-T166 VanDerWaalsContact C-N 3.32Å; D164-T166 PolarHBondContact O-N 3.46Å; T166-K168 VanDerWaalsContact C-N 3.29Å; T166-K168 PolarHBondContact O-N 2.82Å; T166-M169 PolarHBondContact O-N 2.56Å; T166-D170 PolarHBondContact O-N 3.23Å; T166-D170 VanDerWaalsContact O-N 3.12Å
167	S	93.6	Very high	91.4	Very high	67 Å²	67	78.9 Å²	78.9	47%	0.469	41%	0.406	S	S	.	.	H	α-helix	trans	-65.2	-34.5	-179.5	64.5	0	0	0	0	111.9	D164 W171	D164-S167 PolarHBondContact O-N 3.05Å; D164-S167 PolarHBondContact O-OG 3.18Å; S167-W171 WeakPolarHBondContact O-CB 3.29Å; S167-W171 PolarHBondContact O-N 3.15Å
168	K	93.8	Very high	91.9	Very high	59 Å²	59	79.9 Å²	79.9	26%	0.257	41%	0.414	S	S	.	.	H	α-helix	trans	-70.6	-38.9	174.9	-73.9	-77.3	-174.7	164.2	0	113	D164 C165 T166 D170 W171 M172 L198 F204	D164-K168 HydrophobicContact CB-CG 4.4Å; D164-K168 VanDerWaalsContact O-CB 3.27Å; D164-K168 WeakPolarHBondContact O-CB 3.29Å; D164-K168 VanDerWaalsContact O-CG 3.23Å; D164-K168 WeakPolarHBondContact O-CG 3.46Å; D164-K168 PolarHBondContact O-N 2.88Å; C165-K168 PolarHBondContact O-N 3.24Å; T166-K168 VanDerWaalsContact C-N 3.29Å; T166-K168 PolarHBondContact O-N 2.82Å; K168-D170 VanDerWaalsContact C-N 3.35Å; K168-W171 WeakPolarHBondContact O-CB 3.17Å; K168-W171 PolarHBondContact O-N 2.81Å; K168-M172 WeakPolarHBondContact O-CG 3.25Å; K168-M172 PolarHBondContact O-N 2.72Å; K168-L198 HydrophobicContact CB-CD1 3.7Å; K168-L198 HydrophobicContact CB-CD2 3.91Å; K168-L198 HydrophobicContact CB-CG 4.45Å; K168-L198 HydrophobicContact CD-CD2 4.49Å; K168-F204 HydrophobicContact CB-CB 4.37Å; K168-F204 HydrophobicContact CD-CD2 3.9Å; K168-F204 HydrophobicContact CD-CE2 4.02Å; K168-F204 HydrophobicContact CD-CG 4.22Å; K168-F204 HydrophobicContact CD-CZ 4.44Å; K168-F204 VanDerWaalsContact CE-CE2 3.43Å; K168-F204 VanDerWaalsContact CE-CZ 3.43Å; K168-F204 HydrophobicContact CG-CB 4.08Å; K168-F204 HydrophobicContact CG-CD1 4.14Å; K168-F204 HydrophobicContact CG-CD2 4Å; K168-F204 HydrophobicContact CG-CG 3.82Å
169	M	94.6	Very high	92.5	Very high	0 Å²	0	70.8 Å²	70.8	0%	0	38%	0.375	C	S	.	.	H	α-helix	trans	-59.4	-46	173	-78.3	-68.8	-66.2	0	0	111.5	T156 C165 T166 W171 M172 R173 D191 F194 L195 L198	T156-M169 HydrophobicContact CG2-CB 4.1Å; T156-M169 HydrophobicContact CG2-CG 3.75Å; C165-M169 WeakPolarHBondContact O-CB 3.3Å; C165-M169 VanDerWaalsContact O-CG 3.28Å; C165-M169 WeakPolarHBondContact O-CG 3.31Å; C165-M169 PolarHBondContact O-N 2.82Å; T166-M169 PolarHBondContact O-N 2.56Å; M169-W171 VanDerWaalsContact C-N 3.3Å; M169-W171 PolarHBondContact O-N 3.1Å; M169-M172 PolarHBondContact O-N 2.94Å; M169-R173 WeakPolarHBondContact O-CG 3.48Å; M169-R173 PolarHBondContact O-N 2.96Å; M169-D191 HydrophobicContact CE-CB 4.32Å; M169-D191 WeakPolarHBondContact CE-O 3.33Å; M169-F194 HydrophobicContact CE-CB 4.01Å; M169-F194 HydrophobicContact SD-CB 3.69Å; M169-L195 HydrophobicContact CE-CB 4.15Å; M169-L195 HydrophobicContact SD-CB 3.99Å; M169-L195 HydrophobicContact SD-CD1 4.16Å; M169-L198 HydrophobicContact CB-CD1 4.49Å; M169-L198 HydrophobicContact CG-CD1 3.85Å; M169-L198 HydrophobicContact SD-CD1 3.71Å
170	D	94.3	Very high	93	Very high	87 Å²	87	72.1 Å²	72.1	47%	0.465	39%	0.386	S	S	.	.	H	α-helix	trans	-62.3	-39.3	175.7	-70.4	-28	0	0	0	112.1	T166 K168 R173 A174	T166-D170 PolarHBondContact O-N 3.23Å; T166-D170 VanDerWaalsContact O-N 3.12Å; K168-D170 VanDerWaalsContact C-N 3.35Å; D170-R173 PolarHBondContact O-N 3.14Å; D170-R173 IonicContact OD1-CZ 3.23Å; D170-R173 IonicContact OD1-NH1 3.9Å; D170-R173 PolarHBondContact OD1-NH1 3.02Å; D170-A174 PolarHBondContact O-N 3.29Å
171	W	94.6	Very high	93.3	Very high	86 Å²	86	66.5 Å²	66.5	33%	0.326	35%	0.35	S	S	.	.	H	α-helix	trans	-62.3	-45	174.6	-170.4	98.8	0	0	0	111.8	S167 K168 M169 R173 A174 R175 Y182	S167-W171 WeakPolarHBondContact O-CB 3.29Å; S167-W171 PolarHBondContact O-N 3.15Å; K168-W171 WeakPolarHBondContact O-CB 3.17Å; K168-W171 PolarHBondContact O-N 2.81Å; M169-W171 VanDerWaalsContact C-N 3.3Å; M169-W171 PolarHBondContact O-N 3.1Å; W171-R173 PolarHBondContact O-N 3.46Å; W171-A174 PolarHBondContact O-N 3.13Å; W171-R175 HydrophobicContact CD2-CB 4.09Å; W171-R175 HydrophobicContact CE3-CB 4.19Å; W171-R175 HydrophobicContact CH2-CB 3.86Å; W171-R175 HydrophobicContact CZ2-CB 3.79Å; W171-R175 HydrophobicContact CZ3-CB 4.07Å; W171-R175 WeakPolarHBondContact O-CB 3.42Å; W171-R175 PolarHBondContact O-N 2.85Å; W171-Y182 HydrophobicContact CH2-CE2 4.09Å; W171-Y182 AromaticContact CH2-CZ 3.93Å; W171-Y182 VanDerWaalsContact CH2-OH 3.26Å; W171-Y182 WeakPolarHBondContact CH2-OH 3.3Å; W171-Y182 HydrophobicContact CZ3-CE1 4.45Å; W171-Y182 HydrophobicContact CZ3-CE2 4.09Å; W171-Y182 AromaticContact CZ3-CZ 3.72Å; W171-Y182 VanDerWaalsContact CZ3-OH 3.3Å; W171-Y182 WeakPolarHBondContact CZ3-OH 3.27Å
172	M	95.8	Very high	93.7	Very high	2 Å²	2	59.3 Å²	59.3	1%	0.01	32%	0.316	C	S	.	.	H	α-helix	trans	-60.9	-45.9	178.5	-72.4	-62.1	-72.8	0	0	111.4	K168 M169 A174 R175 W176 Y182 V187 F194 Y197 L198	K168-M172 WeakPolarHBondContact O-CG 3.25Å; K168-M172 PolarHBondContact O-N 2.72Å; M169-M172 PolarHBondContact O-N 2.94Å; M172-A174 PolarHBondContact O-N 2.81Å; M172-R175 PolarHBondContact O-N 2.81Å; M172-W176 HydrophobicContact CE-CB 3.74Å; M172-W176 VanDerWaalsContact O-CB 3.26Å; M172-W176 WeakPolarHBondContact O-CB 3.4Å; M172-W176 VanDerWaalsContact O-CD1 3.27Å; M172-W176 PolarHBondContact O-N 2.94Å; M172-W176 HydrophobicContact SD-CB 4.32Å; M172-Y182 HydrophobicContact CE-CD1 3.72Å; M172-Y182 HydrophobicContact CE-CE1 4.18Å; M172-Y182 HydrophobicContact CE-CG 4.23Å; M172-Y182 HydrophobicContact SD-CD1 4.08Å; M172-Y182 HydrophobicContact SD-CE1 3.91Å; M172-V187 HydrophobicContact CE-CG1 4.05Å; M172-V187 HydrophobicContact CE-CG2 3.96Å; M172-F194 HydrophobicContact CB-CB 3.94Å; M172-F194 HydrophobicContact CB-CD1 3.8Å; M172-F194 HydrophobicContact CB-CD2 4.06Å; M172-F194 HydrophobicContact CB-CE1 4.32Å; M172-F194 HydrophobicContact CB-CG 3.67Å; M172-F194 HydrophobicContact CE-CD1 3.9Å; M172-F194 HydrophobicContact CG-CB 4.39Å; M172-Y197 HydrophobicContact CE-CD1 3.79Å; M172-Y197 HydrophobicContact CE-CE1 4.21Å; M172-Y197 HydrophobicContact CE-CG 4.42Å; M172-Y197 HydrophobicContact SD-CD1 4.33Å; M172-Y197 HydrophobicContact SD-CE1 4.38Å; M172-L198 HydrophobicContact CG-CD1 3.96Å; M172-L198 HydrophobicContact CG-CD2 4.27Å; M172-L198 HydrophobicContact CG-CG 4.21Å
173	R	94.9	Very high	94	Very high	96 Å²	96	58.4 Å²	58.4	36%	0.362	32%	0.324	S	S	.	.	H	α-helix	trans	-53.2	-40.1	175.4	-71.1	174.9	-175	125.5	1.2	112.7	T156 M169 D170 W171 D191 F194	T156-R173 PolarHBondContact OG1-NH2 3.28Å; M169-R173 WeakPolarHBondContact O-CG 3.48Å; M169-R173 PolarHBondContact O-N 2.96Å; D170-R173 PolarHBondContact O-N 3.14Å; D170-R173 IonicContact OD1-CZ 3.23Å; D170-R173 IonicContact OD1-NH1 3.9Å; D170-R173 PolarHBondContact OD1-NH1 3.02Å; W171-R173 PolarHBondContact O-N 3.46Å; R173-D191 IonicContact CZ-OD1 2.7Å; R173-D191 IonicContact CZ-OD2 3.96Å; R173-D191 IonicContact NE-OD1 3.89Å; R173-D191 PolarHBondContact NE-OD1 3.27Å; R173-D191 IonicContact NE-OD2 3.62Å; R173-D191 PolarHBondContact NE-OD2 2.68Å; R173-D191 IonicContact NH2-OD1 2.83Å; R173-D191 IonicContact NH2-OD2 3.64Å; R173-D191 PolarHBondContact NH2-OD2 3.33Å; R173-F194 HydrophobicContact CB-CE2 4.27Å; R173-F194 HydrophobicContact CG-CD2 3.97Å; R173-F194 HydrophobicContact CG-CE2 3.68Å
174	A	95.8	Very high	94.1	Very high	75 Å²	75	59.1 Å²	59.1	62%	0.62	32%	0.317	S	S	*	.	H	α-helix	trans	-84.8	-27.6	-177.5	0	0	0	0	0	113.9	D170 W171 M172	D170-A174 PolarHBondContact O-N 3.29Å; W171-A174 PolarHBondContact O-N 3.13Å; M172-A174 PolarHBondContact O-N 2.81Å
175	R	95.4	Very high	94.1	Very high	149 Å²	149	57.8 Å²	57.8	56%	0.562	31%	0.306	S	S	*	.	H	α-helix	trans	-141.2	6.6	-160.8	-60.7	-173.5	-178.6	-161.4	2.2	116.2	W171 M172 T177 S178	W171-R175 HydrophobicContact CD2-CB 4.09Å; W171-R175 HydrophobicContact CE3-CB 4.19Å; W171-R175 HydrophobicContact CH2-CB 3.86Å; W171-R175 HydrophobicContact CZ2-CB 3.79Å; W171-R175 HydrophobicContact CZ3-CB 4.07Å; W171-R175 WeakPolarHBondContact O-CB 3.42Å; W171-R175 PolarHBondContact O-N 2.85Å; M172-R175 PolarHBondContact O-N 2.81Å; R175-T177 PolarHBondContact O-N 3.2Å; R175-S178 WeakPolarHBondContact O-CB 3.41Å; R175-S178 PolarHBondContact O-N 3.48Å; R175-S178 PolarHBondContact O-OG 3.4Å
176	W	93.9	Very high	94.1	Very high	56 Å²	56	60.3 Å²	60.3	21%	0.212	33%	0.332	C	S	.	.	G	3₁₀ helix	trans	-59	-21.8	-179.2	76.5	-88.2	0	0	0	114.4	M172 S178 Y182 A183 V187 F194	M172-W176 HydrophobicContact CE-CB 3.74Å; M172-W176 VanDerWaalsContact O-CB 3.26Å; M172-W176 WeakPolarHBondContact O-CB 3.4Å; M172-W176 VanDerWaalsContact O-CD1 3.27Å; M172-W176 PolarHBondContact O-N 2.94Å; M172-W176 HydrophobicContact SD-CB 4.32Å; W176-S178 VanDerWaalsContact C-N 3.28Å; W176-S178 PolarHBondContact O-N 3.13Å; W176-Y182 WeakPolarHBondContact O-CB 3.4Å; W176-Y182 WeakPolarHBondContact O-CD2 3.35Å; W176-A183 HydrophobicContact CZ3-CB 4.27Å; W176-V187 HydrophobicContact CB-CG1 4.06Å; W176-V187 HydrophobicContact CD2-CG1 3.8Å; W176-V187 HydrophobicContact CE3-CB 4.15Å; W176-V187 HydrophobicContact CE3-CG1 3.53Å; W176-V187 HydrophobicContact CG-CG1 4.06Å; W176-V187 HydrophobicContact CZ3-CG1 4.18Å; W176-V187 VanDerWaalsContact CZ3-O 3.29Å; W176-V187 WeakPolarHBondContact CZ3-O 3.44Å; W176-F194 HydrophobicContact CB-CD1 4.46Å; W176-F194 HydrophobicContact CB-CE1 3.81Å; W176-F194 HydrophobicContact CB-CZ 4.49Å; W176-F194 AromaticContact CD1-CE1 3.54Å; W176-F194 AromaticContact CD1-CZ 3.49Å; W176-F194 VanDerWaalsContact CD1-CZ 3.49Å; W176-F194 HydrophobicContact CD2-CE1 4.17Å; W176-F194 AromaticContact CG-CE1 3.56Å; W176-F194 HydrophobicContact CG-CE1 3.56Å; W176-F194 HydrophobicContact CG-CZ 4.01Å; W176-F194 AromaticContact NE1-CZ 3.94Å
177	T	94.4	Very high	94.2	Very high	105 Å²	105	57.9 Å²	57.9	64%	0.644	32%	0.317	S	S	*	.	G	3₁₀ helix	trans	-82.6	-0.9	175.1	55.4	0	0	0	0	113.7	R175 D179	R175-T177 PolarHBondContact O-N 3.2Å; T177-D179 PolarHBondContact O-N 3.36Å
178	S	93.6	Very high	94.3	Very high	59 Å²	59	60 Å²	60	41%	0.413	32%	0.323	S	S	.	.	G	3₁₀ helix	trans	-66.9	-21.2	-178	70.3	0	0	0	0	113.5	R175 W176	R175-S178 WeakPolarHBondContact O-CB 3.41Å; R175-S178 PolarHBondContact O-N 3.48Å; R175-S178 PolarHBondContact O-OG 3.4Å; W176-S178 VanDerWaalsContact C-N 3.28Å; W176-S178 PolarHBondContact O-N 3.13Å
179	D	92.9	Very high	94.2	Very high	1 Å²	1	58.7 Å²	58.7	1%	0.005	33%	0.327	C	S	.	.	S	Bend	trans	-141.8	127.9	-179.5	-164.2	-35.7	0	0	0	109.6	T177 C181 Y182 G345 R346 G347 S348	T177-D179 PolarHBondContact O-N 3.36Å; D179-C181 PolarHBondContact O-N 3.32Å; D179-C181 WeakPolarHBondContact OD1-CB 3.48Å; D179-C181 PolarHBondContact OD1-N 3.13Å; D179-C181 VanDerWaalsContact OD1-N 3.09Å; D179-C181 PolarHBondContact OD1-SG 2.01Å; D179-C181 VanDerWaalsContact OD1-SG 3.39Å; D179-Y182 HydrophobicContact CB-CD2 3.87Å; D179-Y182 HydrophobicContact CB-CE2 3.7Å; D179-Y182 VanDerWaalsContact O-CD2 3.25Å; D179-Y182 WeakPolarHBondContact O-CD2 3.26Å; D179-Y182 PolarHBondContact O-N 2.81Å; D179-G345 WeakPolarHBondContact OD1-CA 3.19Å; D179-R346 PolarHBondContact OD1-N 2.92Å; D179-R346 VanDerWaalsContact OD1-N 3.16Å; D179-R346 WeakPolarHBondContact OD2-CA 3.21Å; D179-R346 WeakPolarHBondContact OD2-CB 2.98Å; D179-R346 PolarHBondContact OD2-N 2.99Å; D179-G347 PolarHBondContact OD2-N 3.34Å; D179-S348 WeakPolarHBondContact CB-OG 3.43Å; D179-S348 VanDerWaalsContact OD2-CB 3.23Å; D179-S348 WeakPolarHBondContact OD2-CB 3.48Å; D179-S348 PolarHBondContact OD2-N 2.81Å; D179-S348 VanDerWaalsContact OD2-N 3.12Å; D179-S348 PolarHBondContact OD2-OG 2.85Å
180	P	94.1	Very high	94.2	Very high	81 Å²	81	61 Å²	61	53%	0.526	34%	0.343	S	S	.	.	H	α-helix	trans	-61.9	-14.5	178.7	26.9	-37.5	0	0	0	113.7	Y182 A183 F184	P180-Y182 PolarHBondContact O-N 3.08Å; P180-A183 PolarHBondContact O-N 3.05Å; P180-F184 PolarHBondContact O-N 2.05Å; P180-F184 VanDerWaalsContact O-N 3.11Å
181	C	93.3	Very high	94.1	Very high	0 Å²	0	59.3 Å²	59.3	0%	0	33%	0.334	C	S	.	.	H	α-helix	trans	-60.5	-32.4	177.9	74.3	0	0	0	0	112.8	D179 F184 Y185 P343 P344 C349	D179-C181 PolarHBondContact O-N 3.32Å; D179-C181 WeakPolarHBondContact OD1-CB 3.48Å; D179-C181 PolarHBondContact OD1-N 3.13Å; D179-C181 VanDerWaalsContact OD1-N 3.09Å; D179-C181 PolarHBondContact OD1-SG 2.01Å; D179-C181 VanDerWaalsContact OD1-SG 3.39Å; C181-F184 WeakPolarHBondContact O-CB 3.43Å; C181-F184 PolarHBondContact O-N 2.86Å; C181-Y185 VanDerWaalsContact O-CD2 3.23Å; C181-Y185 WeakPolarHBondContact O-CD2 3.38Å; C181-Y185 PolarHBondContact O-N 2.96Å; C181-Y185 VanDerWaalsContact O-N 3.13Å; C181-P343 HydrophobicContact CB-CB 4.22Å; C181-P343 HydrophobicContact CB-CG 4.22Å; C181-P344 WeakPolarHBondContact CA-O 3.34Å; C181-P344 WeakPolarHBondContact CB-O 3.03Å; C181-P344 PolarHBondContact N-O 3.31Å; C181-P344 VanDerWaalsContact N-O 3.12Å; C181-C349 HydrophobicContact CB-CB 3.59Å; C181-C349 WeakPolarHBondContact CB-SG 3.43Å; C181-C349 WeakPolarHBondContact SG-CB 3.41Å; C181-C349 PolarHBondContact SG-N 3.08Å; C181-C349 CovalentContact SG-SG 2.02Å; C181-C349 PolarHBondContact SG-SG 3.01Å
182	Y	94.5	Very high	93.9	Very high	9 Å²	9	57.4 Å²	57.4	4%	0.035	33%	0.333	C	S	.	.	H	α-helix	trans	-64.9	-45.7	178.8	-61.8	-67.6	0	0	0	111.2	W171 M172 W176 D179 P180 F184 Y185 G186 V187 Y197 S348 C349	W171-Y182 HydrophobicContact CH2-CE2 4.09Å; W171-Y182 AromaticContact CH2-CZ 3.93Å; W171-Y182 VanDerWaalsContact CH2-OH 3.26Å; W171-Y182 WeakPolarHBondContact CH2-OH 3.3Å; W171-Y182 HydrophobicContact CZ3-CE1 4.45Å; W171-Y182 HydrophobicContact CZ3-CE2 4.09Å; W171-Y182 AromaticContact CZ3-CZ 3.72Å; W171-Y182 VanDerWaalsContact CZ3-OH 3.3Å; W171-Y182 WeakPolarHBondContact CZ3-OH 3.27Å; M172-Y182 HydrophobicContact CE-CD1 3.72Å; M172-Y182 HydrophobicContact CE-CE1 4.18Å; M172-Y182 HydrophobicContact CE-CG 4.23Å; M172-Y182 HydrophobicContact SD-CD1 4.08Å; M172-Y182 HydrophobicContact SD-CE1 3.91Å; W176-Y182 WeakPolarHBondContact O-CB 3.4Å; W176-Y182 WeakPolarHBondContact O-CD2 3.35Å; D179-Y182 HydrophobicContact CB-CD2 3.87Å; D179-Y182 HydrophobicContact CB-CE2 3.7Å; D179-Y182 VanDerWaalsContact O-CD2 3.25Å; D179-Y182 WeakPolarHBondContact O-CD2 3.26Å; D179-Y182 PolarHBondContact O-N 2.81Å; P180-Y182 PolarHBondContact O-N 3.08Å; Y182-F184 VanDerWaalsContact C-N 3.28Å; Y182-F184 PolarHBondContact O-N 2.57Å; Y182-Y185 PolarHBondContact O-N 2.82Å; Y182-Y185 VanDerWaalsContact O-N 3.12Å; Y182-G186 PolarHBondContact O-N 2.77Å; Y182-V187 VanDerWaalsContact O-CB 3.26Å; Y182-V187 WeakPolarHBondContact O-CB 3.27Å; Y182-V187 WeakPolarHBondContact O-CG2 3.05Å; Y182-V187 PolarHBondContact O-N 3.05Å; Y182-V187 VanDerWaalsContact O-N 3.07Å; Y182-Y197 HydrophobicContact CD1-CD1 4.34Å; Y182-Y197 AromaticContact CD1-CE1 3.66Å; Y182-Y197 HydrophobicContact CD1-CE1 3.66Å; Y182-Y197 HydrophobicContact CD1-CE2 4.12Å; Y182-Y197 AromaticContact CD1-CZ 3.54Å; Y182-Y197 AromaticContact CE1-CE1 3.63Å; Y182-Y197 HydrophobicContact CE1-CE1 3.63Å; Y182-Y197 AromaticContact CE1-CZ 3.66Å; Y182-Y197 WeakPolarHBondContact CE1-OH 3.15Å; Y182-S348 WeakPolarHBondContact OH-CB 3.44Å; Y182-C349 PolarHBondContact N-SG 3.27Å
183	A	94.9	Very high	93.9	Very high	55 Å²	55	57.7 Å²	57.7	46%	0.455	34%	0.335	S	S	.	.	H	α-helix	trans	-63.1	-36.2	175.1	0	0	0	0	0	111.9	W176 P180 Y185 G186	W176-A183 HydrophobicContact CZ3-CB 4.27Å; P180-A183 PolarHBondContact O-N 3.05Å; A183-Y185 VanDerWaalsContact C-N 3.26Å; A183-Y185 PolarHBondContact O-N 3.49Å; A183-G186 PolarHBondContact O-N 3.04Å
184	F	93.3	Very high	93.9	Very high	113 Å²	113	53.3 Å²	53.3	50%	0.496	32%	0.319	S	S	.	.	H	α-helix	trans	-59.2	-35.8	173.8	172.1	-88.3	0	0	0	112.5	P180 C181 Y182 G186 P343 P344 T352	P180-F184 PolarHBondContact O-N 2.05Å; P180-F184 VanDerWaalsContact O-N 3.11Å; C181-F184 WeakPolarHBondContact O-CB 3.43Å; C181-F184 PolarHBondContact O-N 2.86Å; Y182-F184 VanDerWaalsContact C-N 3.28Å; Y182-F184 PolarHBondContact O-N 2.57Å; F184-G186 PolarHBondContact O-N 3.12Å; F184-P343 HydrophobicContact CD1-CB 3.99Å; F184-P343 HydrophobicContact CE1-CB 4.19Å; F184-P344 HydrophobicContact CB-CG 3.85Å; F184-P344 HydrophobicContact CD2-CG 3.66Å; F184-P344 HydrophobicContact CE2-CG 4.42Å; F184-P344 HydrophobicContact CG-CG 3.81Å; F184-T352 HydrophobicContact CE1-CG2 3.59Å; F184-T352 HydrophobicContact CZ-CG2 3.94Å
185	Y	92.4	Very high	93.7	Very high	58 Å²	58	49.7 Å²	49.7	23%	0.227	29%	0.289	C	S	.	.	T	Hydrogen-bonded Turn	trans	-81.2	6.8	173.2	-76.5	-72.5	0	0	0	114.4	C181 Y182 A183 Y197 V201 P343 C349 P350 L351 T352	C181-Y185 VanDerWaalsContact O-CD2 3.23Å; C181-Y185 WeakPolarHBondContact O-CD2 3.38Å; C181-Y185 PolarHBondContact O-N 2.96Å; C181-Y185 VanDerWaalsContact O-N 3.13Å; Y182-Y185 PolarHBondContact O-N 2.82Å; Y182-Y185 VanDerWaalsContact O-N 3.12Å; A183-Y185 VanDerWaalsContact C-N 3.26Å; A183-Y185 PolarHBondContact O-N 3.49Å; Y185-Y197 AromaticContact CD2-CE2 3.83Å; Y185-Y197 HydrophobicContact CD2-CE2 3.83Å; Y185-Y197 HydrophobicContact CG-CD2 4.26Å; Y185-Y197 AromaticContact CG-CE2 3.99Å; Y185-Y197 HydrophobicContact CG-CE2 3.99Å; Y185-V201 HydrophobicContact CD1-CG1 4.04Å; Y185-V201 HydrophobicContact CD1-CG2 3.95Å; Y185-V201 HydrophobicContact CD2-CG1 4.37Å; Y185-V201 HydrophobicContact CE1-CG1 3.96Å; Y185-V201 HydrophobicContact CE1-CG2 4.44Å; Y185-V201 HydrophobicContact CE2-CG1 4.3Å; Y185-V201 HydrophobicContact CG-CG1 4.25Å; Y185-V201 HydrophobicContact CG-CG2 4.4Å; Y185-P343 HydrophobicContact CE2-CB 4.06Å; Y185-P343 HydrophobicContact CE2-CG 4.13Å; Y185-C349 HydrophobicContact CD2-CB 4.02Å; Y185-C349 HydrophobicContact CE2-CB 3.63Å; Y185-P350 PolarHBondContact OH-O 3.06Å; Y185-L351 PolarHBondContact OH-O 3.14Å; Y185-L351 VanDerWaalsContact OH-O 3.1Å; Y185-T352 VanDerWaalsContact OH-CA 3.23Å; Y185-T352 WeakPolarHBondContact OH-CA 3.02Å; Y185-T352 PolarHBondContact OH-N 3.49Å
186	G	93.1	Very high	93.6	Very high	52 Å²	52	44.5 Å²	44.5	54%	0.536	27%	0.272	S	S	.	.	T	Hydrogen-bonded Turn	trans	86.1	16.4	176.9	0	0	0	0	0	114.7	Y182 A183 F184 D188	Y182-G186 PolarHBondContact O-N 2.77Å; A183-G186 PolarHBondContact O-N 3.04Å; F184-G186 PolarHBondContact O-N 3.12Å; G186-D188 PolarHBondContact O-N 3.22Å
187	V	95.4	Very high	93.5	Very high	5 Å²	5	42 Å²	42	3%	0.03	26%	0.262	C	S	.	.			trans	-68.7	123.3	168.7	179.4	0	0	0	0	109.2	M172 W176 Y182 F194 Y197	M172-V187 HydrophobicContact CE-CG1 4.05Å; M172-V187 HydrophobicContact CE-CG2 3.96Å; W176-V187 HydrophobicContact CB-CG1 4.06Å; W176-V187 HydrophobicContact CD2-CG1 3.8Å; W176-V187 HydrophobicContact CE3-CB 4.15Å; W176-V187 HydrophobicContact CE3-CG1 3.53Å; W176-V187 HydrophobicContact CG-CG1 4.06Å; W176-V187 HydrophobicContact CZ3-CG1 4.18Å; W176-V187 VanDerWaalsContact CZ3-O 3.29Å; W176-V187 WeakPolarHBondContact CZ3-O 3.44Å; Y182-V187 VanDerWaalsContact O-CB 3.26Å; Y182-V187 WeakPolarHBondContact O-CB 3.27Å; Y182-V187 WeakPolarHBondContact O-CG2 3.05Å; Y182-V187 PolarHBondContact O-N 3.05Å; Y182-V187 VanDerWaalsContact O-N 3.07Å; V187-F194 HydrophobicContact CG1-CD1 3.49Å; V187-F194 VanDerWaalsContact CG1-CD1 3.49Å; V187-F194 HydrophobicContact CG1-CE1 3.43Å; V187-F194 VanDerWaalsContact CG1-CE1 3.43Å; V187-Y197 HydrophobicContact CG2-CD2 4.05Å; V187-Y197 HydrophobicContact CG2-CG 3.85Å
188	D	94.3	Very high	93.4	Very high	111 Å²	111	37 Å²	37	59%	0.594	23%	0.232	S	C	*	.			trans	-115.7	0.1	-175	66.5	8.3	0	0	0	113.7	G186 S190 S193	G186-D188 PolarHBondContact O-N 3.22Å; D188-S190 WeakPolarHBondContact OD1-CB 3.43Å; D188-S190 PolarHBondContact OD1-N 2.92Å; D188-S190 PolarHBondContact OD1-OG 2.98Å; D188-S193 PolarHBondContact N-OG 2.99Å; D188-S193 WeakPolarHBondContact OD1-CB 3.23Å; D188-S193 PolarHBondContact OD1-OG 3.37Å
189	G	92.8	Very high	93.2	Very high	33 Å²	33	34.4 Å²	34.4	34%	0.34	21%	0.213	S	C	.	.	S	Bend	trans	97.8	-5.6	-178.1	0	0	0	0	0	114.5	F194	G189-F194 VanDerWaalsContact C-CZ 3.42Å; G189-F194 VanDerWaalsContact O-CZ 3.25Å; G189-F194 WeakPolarHBondContact O-CZ 3.41Å
190	S	93.6	Very high	93	Very high	48 Å²	48	38.2 Å²	38.2	34%	0.336	23%	0.231	S	C	.	.	S	Bend	trans	-81.9	148.9	173	69.5	0	0	0	0	112.3	D188 C192 S193 F194	D188-S190 WeakPolarHBondContact OD1-CB 3.43Å; D188-S190 PolarHBondContact OD1-N 2.92Å; D188-S190 PolarHBondContact OD1-OG 2.98Å; S190-C192 PolarHBondContact O-N 3.1Å; S190-S193 PolarHBondContact N-OG 3.42Å; S190-S193 PolarHBondContact O-N 3.01Å; S190-S193 PolarHBondContact O-OG 3.47Å; S190-S193 WeakPolarHBondContact OG-CB 3.4Å; S190-S193 PolarHBondContact OG-N 3.32Å; S190-S193 PolarHBondContact OG-OG 2.81Å; S190-F194 WeakPolarHBondContact O-CD2 3.31Å; S190-F194 WeakPolarHBondContact O-CG 3.43Å; S190-F194 PolarHBondContact O-N 3.26Å; S190-F194 VanDerWaalsContact O-N 3.11Å
191	D	92.7	Very high	92.7	Very high	52 Å²	52	35.6 Å²	35.6	28%	0.278	21%	0.214	S	C	.	.	H	α-helix	trans	-57	-34.6	174.8	-86.6	5.3	0	0	0	112.4	M169 R173 F194 L195	M169-D191 HydrophobicContact CE-CB 4.32Å; M169-D191 WeakPolarHBondContact CE-O 3.33Å; R173-D191 IonicContact CZ-OD1 2.7Å; R173-D191 IonicContact CZ-OD2 3.96Å; R173-D191 IonicContact NE-OD1 3.89Å; R173-D191 PolarHBondContact NE-OD1 3.27Å; R173-D191 IonicContact NE-OD2 3.62Å; R173-D191 PolarHBondContact NE-OD2 2.68Å; R173-D191 IonicContact NH2-OD1 2.83Å; R173-D191 IonicContact NH2-OD2 3.64Å; R173-D191 PolarHBondContact NH2-OD2 3.33Å; D191-F194 PolarHBondContact O-N 3.45Å; D191-L195 WeakPolarHBondContact O-CB 3.39Å; D191-L195 PolarHBondContact O-N 3.21Å
192	C	91.4	Very high	92.5	Very high	45 Å²	45	36.3 Å²	36.3	30%	0.304	22%	0.217	S	C	.	.	H	α-helix	trans	-64.2	-42.6	174.4	-71.8	0	0	0	0	112.2	C154 S190 F194 L195 I196	C154-C192 HydrophobicContact CB-CB 3.88Å; C154-C192 WeakPolarHBondContact CB-SG 3.32Å; C154-C192 WeakPolarHBondContact SG-CA 3.43Å; C154-C192 WeakPolarHBondContact SG-CB 3.45Å; C154-C192 CovalentContact SG-SG 2.04Å; C154-C192 PolarHBondContact SG-SG 3Å; S190-C192 PolarHBondContact O-N 3.1Å; C192-F194 VanDerWaalsContact C-N 3.35Å; C192-L195 PolarHBondContact O-N 3.02Å; C192-I196 WeakPolarHBondContact O-CB 3.42Å; C192-I196 WeakPolarHBondContact O-CD1 3.4Å; C192-I196 WeakPolarHBondContact O-CG1 3.43Å; C192-I196 PolarHBondContact O-N 3.41Å
193	S	94.2	Very high	92.2	Very high	9 Å²	9	42 Å²	42	6%	0.063	24%	0.238	C	C	.	.	H	α-helix	trans	-65.8	-37.5	178.1	78.3	0	0	0	0	112.3	D188 S190 Y197	D188-S193 PolarHBondContact N-OG 2.99Å; D188-S193 WeakPolarHBondContact OD1-CB 3.23Å; D188-S193 PolarHBondContact OD1-OG 3.37Å; S190-S193 PolarHBondContact N-OG 3.42Å; S190-S193 PolarHBondContact O-N 3.01Å; S190-S193 PolarHBondContact O-OG 3.47Å; S190-S193 WeakPolarHBondContact OG-CB 3.4Å; S190-S193 PolarHBondContact OG-N 3.32Å; S190-S193 PolarHBondContact OG-OG 2.81Å; S193-Y197 WeakPolarHBondContact O-CB 3.43Å; S193-Y197 PolarHBondContact O-N 3.04Å
194	F	95	Very high	92	Very high	3 Å²	3	41.1 Å²	41.1	1%	0.013	23%	0.225	C	C	.	.	H	α-helix	trans	-63.5	-46.4	174.2	-55.8	-29.6	0	0	0	111.3	M169 M172 R173 W176 V187 G189 S190 D191 C192 Y197 L198	M169-F194 HydrophobicContact CE-CB 4.01Å; M169-F194 HydrophobicContact SD-CB 3.69Å; M172-F194 HydrophobicContact CB-CB 3.94Å; M172-F194 HydrophobicContact CB-CD1 3.8Å; M172-F194 HydrophobicContact CB-CD2 4.06Å; M172-F194 HydrophobicContact CB-CE1 4.32Å; M172-F194 HydrophobicContact CB-CG 3.67Å; M172-F194 HydrophobicContact CE-CD1 3.9Å; M172-F194 HydrophobicContact CG-CB 4.39Å; R173-F194 HydrophobicContact CB-CE2 4.27Å; R173-F194 HydrophobicContact CG-CD2 3.97Å; R173-F194 HydrophobicContact CG-CE2 3.68Å; W176-F194 HydrophobicContact CB-CD1 4.46Å; W176-F194 HydrophobicContact CB-CE1 3.81Å; W176-F194 HydrophobicContact CB-CZ 4.49Å; W176-F194 AromaticContact CD1-CE1 3.54Å; W176-F194 AromaticContact CD1-CZ 3.49Å; W176-F194 VanDerWaalsContact CD1-CZ 3.49Å; W176-F194 HydrophobicContact CD2-CE1 4.17Å; W176-F194 AromaticContact CG-CE1 3.56Å; W176-F194 HydrophobicContact CG-CE1 3.56Å; W176-F194 HydrophobicContact CG-CZ 4.01Å; W176-F194 AromaticContact NE1-CZ 3.94Å; V187-F194 HydrophobicContact CG1-CD1 3.49Å; V187-F194 VanDerWaalsContact CG1-CD1 3.49Å; V187-F194 HydrophobicContact CG1-CE1 3.43Å; V187-F194 VanDerWaalsContact CG1-CE1 3.43Å; G189-F194 VanDerWaalsContact C-CZ 3.42Å; G189-F194 VanDerWaalsContact O-CZ 3.25Å; G189-F194 WeakPolarHBondContact O-CZ 3.41Å; S190-F194 WeakPolarHBondContact O-CD2 3.31Å; S190-F194 WeakPolarHBondContact O-CG 3.43Å; S190-F194 PolarHBondContact O-N 3.26Å; S190-F194 VanDerWaalsContact O-N 3.11Å; D191-F194 PolarHBondContact O-N 3.45Å; C192-F194 VanDerWaalsContact C-N 3.35Å; F194-Y197 PolarHBondContact O-N 3.35Å; F194-L198 WeakPolarHBondContact O-CB 3.36Å; F194-L198 WeakPolarHBondContact O-CG 3.48Å; F194-L198 PolarHBondContact O-N 3.44Å
195	L	92.7	Very high	91.9	Very high	0 Å²	0	35.8 Å²	35.8	0%	0	20%	0.201	C	C	.	.	H	α-helix	trans	-66.3	-39.8	-178.5	-173.2	64.5	0	0	0	111.6	C154 P157 M169 D191 C192 S199 C205 L208	C154-L195 HydrophobicContact CB-CD2 4.05Å; P157-L195 VanDerWaalsContact CD-CD1 3.45Å; P157-L195 HydrophobicContact CG-CD1 4.04Å; P157-L195 HydrophobicContact CG-CD2 4.42Å; M169-L195 HydrophobicContact CE-CB 4.15Å; M169-L195 HydrophobicContact SD-CB 3.99Å; M169-L195 HydrophobicContact SD-CD1 4.16Å; D191-L195 WeakPolarHBondContact O-CB 3.39Å; D191-L195 PolarHBondContact O-N 3.21Å; C192-L195 PolarHBondContact O-N 3.02Å; L195-S199 VanDerWaalsContact O-CB 3.23Å; L195-S199 WeakPolarHBondContact O-CB 3.44Å; L195-S199 PolarHBondContact O-N 2.8Å; L195-S199 PolarHBondContact O-OG 3.4Å; L195-C205 HydrophobicContact CD1-CB 3.9Å; L195-L208 HydrophobicContact CD2-CD2 3.79Å; L195-L208 HydrophobicContact CG-CD1 4.49Å; L195-L208 HydrophobicContact CG-CD2 3.97Å
196	I	92.1	Very high	91.8	Very high	39 Å²	39	34 Å²	34	20%	0.2	20%	0.197	C	C	.	.	H	α-helix	trans	-60.3	-48.8	172.8	-69.8	161.9	0	0	0	110.2	C192 S199 E200 L208	C192-I196 WeakPolarHBondContact O-CB 3.42Å; C192-I196 WeakPolarHBondContact O-CD1 3.4Å; C192-I196 WeakPolarHBondContact O-CG1 3.43Å; C192-I196 PolarHBondContact O-N 3.41Å; I196-S199 WeakPolarHBondContact CA-OG 3.13Å; I196-S199 PolarHBondContact O-N 3.27Å; I196-S199 PolarHBondContact O-OG 2.89Å; I196-S199 VanDerWaalsContact O-OG 3.04Å; I196-E200 WeakPolarHBondContact O-CB 3.35Å; I196-E200 PolarHBondContact O-N 2.92Å; I196-L208 HydrophobicContact CB-CD1 4.49Å; I196-L208 HydrophobicContact CG1-CD1 3.59Å
197	Y	92.6	Very high	91.4	Very high	4 Å²	4	35.2 Å²	35.2	2%	0.016	20%	0.195	C	C	.	.	H	α-helix	trans	-60.8	-49.4	179.3	174.8	-97.4	0	0	0	112.4	M172 Y182 Y185 V187 S193 F194 S199 V201 E202 C349	M172-Y197 HydrophobicContact CE-CD1 3.79Å; M172-Y197 HydrophobicContact CE-CE1 4.21Å; M172-Y197 HydrophobicContact CE-CG 4.42Å; M172-Y197 HydrophobicContact SD-CD1 4.33Å; M172-Y197 HydrophobicContact SD-CE1 4.38Å; Y182-Y197 HydrophobicContact CD1-CD1 4.34Å; Y182-Y197 AromaticContact CD1-CE1 3.66Å; Y182-Y197 HydrophobicContact CD1-CE1 3.66Å; Y182-Y197 HydrophobicContact CD1-CE2 4.12Å; Y182-Y197 AromaticContact CD1-CZ 3.54Å; Y182-Y197 AromaticContact CE1-CE1 3.63Å; Y182-Y197 HydrophobicContact CE1-CE1 3.63Å; Y182-Y197 AromaticContact CE1-CZ 3.66Å; Y182-Y197 WeakPolarHBondContact CE1-OH 3.15Å; Y185-Y197 AromaticContact CD2-CE2 3.83Å; Y185-Y197 HydrophobicContact CD2-CE2 3.83Å; Y185-Y197 HydrophobicContact CG-CD2 4.26Å; Y185-Y197 AromaticContact CG-CE2 3.99Å; Y185-Y197 HydrophobicContact CG-CE2 3.99Å; V187-Y197 HydrophobicContact CG2-CD2 4.05Å; V187-Y197 HydrophobicContact CG2-CG 3.85Å; S193-Y197 WeakPolarHBondContact O-CB 3.43Å; S193-Y197 PolarHBondContact O-N 3.04Å; F194-Y197 PolarHBondContact O-N 3.35Å; Y197-S199 PolarHBondContact O-N 2.66Å; Y197-V201 HydrophobicContact CD2-CB 3.79Å; Y197-V201 HydrophobicContact CD2-CG1 4.03Å; Y197-V201 HydrophobicContact CD2-CG2 3.94Å; Y197-V201 HydrophobicContact CE2-CB 3.87Å; Y197-V201 HydrophobicContact CE2-CG1 3.59Å; Y197-V201 HydrophobicContact CE2-CG2 4.34Å; Y197-V201 HydrophobicContact CG-CB 4.45Å; Y197-V201 WeakPolarHBondContact O-CA 3.44Å; Y197-V201 VanDerWaalsContact O-CB 3.25Å; Y197-V201 WeakPolarHBondContact O-CB 3.41Å; Y197-V201 PolarHBondContact O-N 2.91Å; Y197-E202 HydrophobicContact CD1-CG 4.41Å; Y197-E202 VanDerWaalsContact CE1-CD 3.46Å; Y197-E202 HydrophobicContact CE1-CG 3.54Å; Y197-E202 PolarHBondContact O-N 2.98Å; Y197-E202 VanDerWaalsContact O-N 3.14Å; Y197-E202 PolarHBondContact OH-OE1 2.82Å; Y197-E202 VanDerWaalsContact OH-OE1 3.11Å; Y197-C349 WeakPolarHBondContact OH-CB 3.46Å; Y197-C349 PolarHBondContact OH-SG 3Å
198	L	92.9	Very high	90.9	Very high	0 Å²	0	35.4 Å²	35.4	0%	0	20%	0.196	C	C	.	.	H	α-helix	trans	-69	-22.3	-178.9	-68.3	173.9	0	0	0	112.9	K168 M169 M172 F194 E202 W203 F204 C205	K168-L198 HydrophobicContact CB-CD1 3.7Å; K168-L198 HydrophobicContact CB-CD2 3.91Å; K168-L198 HydrophobicContact CB-CG 4.45Å; K168-L198 HydrophobicContact CD-CD2 4.49Å; M169-L198 HydrophobicContact CB-CD1 4.49Å; M169-L198 HydrophobicContact CG-CD1 3.85Å; M169-L198 HydrophobicContact SD-CD1 3.71Å; M172-L198 HydrophobicContact CG-CD1 3.96Å; M172-L198 HydrophobicContact CG-CD2 4.27Å; M172-L198 HydrophobicContact CG-CG 4.21Å; F194-L198 WeakPolarHBondContact O-CB 3.36Å; F194-L198 WeakPolarHBondContact O-CG 3.48Å; F194-L198 PolarHBondContact O-N 3.44Å; L198-E202 HydrophobicContact CD2-CB 4.5Å; L198-E202 WeakPolarHBondContact CD2-OE2 3.42Å; L198-W203 CarbonylContact O-C 3.6Å; L198-W203 VanDerWaalsContact O-CA 3.29Å; L198-W203 WeakPolarHBondContact O-CA 3.39Å; L198-W203 PolarHBondContact O-N 2.82Å; L198-F204 HydrophobicContact CB-CB 4.47Å; L198-F204 HydrophobicContact CD2-CB 4.32Å; L198-F204 HydrophobicContact CD2-CD2 4.01Å; L198-F204 PolarHBondContact O-N 2.96Å; L198-C205 HydrophobicContact CB-CB 4.17Å; L198-C205 PolarHBondContact O-N 3.21Å
199	S	90	Very high	89.9	Confident	4 Å²	4	34.9 Å²	34.9	3%	0.028	20%	0.199	C	C	.	.	H	α-helix	trans	-89.5	-46.5	177.5	57.7	0	0	0	0	113	L195 I196 Y197 C205 P206	L195-S199 VanDerWaalsContact O-CB 3.23Å; L195-S199 WeakPolarHBondContact O-CB 3.44Å; L195-S199 PolarHBondContact O-N 2.8Å; L195-S199 PolarHBondContact O-OG 3.4Å; I196-S199 WeakPolarHBondContact CA-OG 3.13Å; I196-S199 PolarHBondContact O-N 3.27Å; I196-S199 PolarHBondContact O-OG 2.89Å; I196-S199 VanDerWaalsContact O-OG 3.04Å; Y197-S199 PolarHBondContact O-N 2.66Å; S199-C205 WeakPolarHBondContact CA-O 3.21Å; S199-P206 WeakPolarHBondContact CB-O 3.39Å
200	E	87	Confident	88.9	Confident	81 Å²	81	39.6 Å²	39.6	38%	0.379	21%	0.206	S	C	.	.	H	α-helix	trans	-92.2	-27.1	-171.8	-64.9	176.1	-164.5	0	0	113.2	I196 W203 R211	I196-E200 WeakPolarHBondContact O-CB 3.35Å; I196-E200 PolarHBondContact O-N 2.92Å; E200-W203 PolarHBondContact O-NE1 3.18Å; E200-R211 WeakPolarHBondContact OE1-CD 3.23Å; E200-R211 IonicContact OE1-NE 3.56Å; E200-R211 IonicContact OE1-NH1 2.75Å; E200-R211 IonicContact OE2-NH1 3.41Å; E200-R211 PolarHBondContact OE2-NH1 2.85Å
201	V	88.1	Confident	87.9	Confident	27 Å²	27	42.9 Å²	42.9	16%	0.164	21%	0.211	C	C	.	.	T	Hydrogen-bonded Turn	trans	-107.2	-52.9	-173.5	-176.9	0	0	0	0	112.6	Y185 Y197 W203 P350	Y185-V201 HydrophobicContact CD1-CG1 4.04Å; Y185-V201 HydrophobicContact CD1-CG2 3.95Å; Y185-V201 HydrophobicContact CD2-CG1 4.37Å; Y185-V201 HydrophobicContact CE1-CG1 3.96Å; Y185-V201 HydrophobicContact CE1-CG2 4.44Å; Y185-V201 HydrophobicContact CE2-CG1 4.3Å; Y185-V201 HydrophobicContact CG-CG1 4.25Å; Y185-V201 HydrophobicContact CG-CG2 4.4Å; Y197-V201 HydrophobicContact CD2-CB 3.79Å; Y197-V201 HydrophobicContact CD2-CG1 4.03Å; Y197-V201 HydrophobicContact CD2-CG2 3.94Å; Y197-V201 HydrophobicContact CE2-CB 3.87Å; Y197-V201 HydrophobicContact CE2-CG1 3.59Å; Y197-V201 HydrophobicContact CE2-CG2 4.34Å; Y197-V201 HydrophobicContact CG-CB 4.45Å; Y197-V201 WeakPolarHBondContact O-CA 3.44Å; Y197-V201 VanDerWaalsContact O-CB 3.25Å; Y197-V201 WeakPolarHBondContact O-CB 3.41Å; Y197-V201 PolarHBondContact O-N 2.91Å; V201-W203 WeakPolarHBondContact O-CH2 3.44Å; V201-W203 WeakPolarHBondContact O-CZ2 3.36Å; V201-P350 HydrophobicContact CG1-CG 3.42Å; V201-P350 VanDerWaalsContact CG1-CG 3.42Å
202	E	88.9	Confident	86.2	Confident	14 Å²	14	47.1 Å²	47.1	7%	0.065	23%	0.234	C	C	.	.	S	Bend	trans	-97.6	-11.4	-179.3	-66.5	-162.4	148.3	0	0	114.6	Y197 L198 F204 P350 L376	Y197-E202 HydrophobicContact CD1-CG 4.41Å; Y197-E202 VanDerWaalsContact CE1-CD 3.46Å; Y197-E202 HydrophobicContact CE1-CG 3.54Å; Y197-E202 PolarHBondContact O-N 2.98Å; Y197-E202 VanDerWaalsContact O-N 3.14Å; Y197-E202 PolarHBondContact OH-OE1 2.82Å; Y197-E202 VanDerWaalsContact OH-OE1 3.11Å; L198-E202 HydrophobicContact CD2-CB 4.5Å; L198-E202 WeakPolarHBondContact CD2-OE2 3.42Å; E202-F204 HydrophobicContact CB-CD2 3.5Å; E202-F204 VanDerWaalsContact CB-CD2 3.5Å; E202-F204 HydrophobicContact CB-CE2 3.78Å; E202-F204 HydrophobicContact CG-CD2 4.43Å; E202-F204 HydrophobicContact CG-CE2 4.41Å; E202-F204 PolarHBondContact O-N 2.71Å; E202-F204 VanDerWaalsContact OE2-CD2 3.26Å; E202-F204 WeakPolarHBondContact OE2-CD2 3.41Å; E202-F204 WeakPolarHBondContact OE2-CE2 3.44Å; E202-P350 HydrophobicContact CG-CG 4.39Å; E202-L376 HydrophobicContact CB-CD1 4.09Å; E202-L376 HydrophobicContact CG-CD1 3.94Å
203	W	89.2	Confident	84.3	Confident	128 Å²	128	52.6 Å²	52.6	49%	0.485	26%	0.255	S	S	.	.			trans	58.3	23.7	178.5	-42	-69.7	0	0	0	115.3	Y162 L198 E200 V201 C205 K380	Y162-W203 WeakPolarHBondContact CE1-O 3.43Å; L198-W203 CarbonylContact O-C 3.6Å; L198-W203 VanDerWaalsContact O-CA 3.29Å; L198-W203 WeakPolarHBondContact O-CA 3.39Å; L198-W203 PolarHBondContact O-N 2.82Å; E200-W203 PolarHBondContact O-NE1 3.18Å; V201-W203 WeakPolarHBondContact O-CH2 3.44Å; V201-W203 WeakPolarHBondContact O-CZ2 3.36Å; W203-C205 VanDerWaalsContact C-N 3.31Å; W203-K380 HydrophobicContact CZ3-CD 4.47Å
204	F	91	Very high	82	Confident	38 Å²	38	58.2 Å²	58.2	17%	0.167	29%	0.289	C	S	.	.	S	Bend	trans	-76.1	-16.4	170.9	-72.3	-65.6	0	0	0	113.6	D164 C165 K168 L198 E202 L376	D164-F204 HydrophobicContact CB-CD1 3.91Å; C165-F204 VanDerWaalsContact CA-O 3.3Å; C165-F204 WeakPolarHBondContact CA-O 3.41Å; C165-F204 WeakPolarHBondContact CB-O 3.33Å; C165-F204 PolarHBondContact N-O 3.29Å; K168-F204 HydrophobicContact CB-CB 4.37Å; K168-F204 HydrophobicContact CD-CD2 3.9Å; K168-F204 HydrophobicContact CD-CE2 4.02Å; K168-F204 HydrophobicContact CD-CG 4.22Å; K168-F204 HydrophobicContact CD-CZ 4.44Å; K168-F204 VanDerWaalsContact CE-CE2 3.43Å; K168-F204 VanDerWaalsContact CE-CZ 3.43Å; K168-F204 HydrophobicContact CG-CB 4.08Å; K168-F204 HydrophobicContact CG-CD1 4.14Å; K168-F204 HydrophobicContact CG-CD2 4Å; K168-F204 HydrophobicContact CG-CG 3.82Å; L198-F204 HydrophobicContact CB-CB 4.47Å; L198-F204 HydrophobicContact CD2-CB 4.32Å; L198-F204 HydrophobicContact CD2-CD2 4.01Å; L198-F204 PolarHBondContact O-N 2.96Å; E202-F204 HydrophobicContact CB-CD2 3.5Å; E202-F204 VanDerWaalsContact CB-CD2 3.5Å; E202-F204 HydrophobicContact CB-CE2 3.78Å; E202-F204 HydrophobicContact CG-CD2 4.43Å; E202-F204 HydrophobicContact CG-CE2 4.41Å; E202-F204 PolarHBondContact O-N 2.71Å; E202-F204 VanDerWaalsContact OE2-CD2 3.26Å; E202-F204 WeakPolarHBondContact OE2-CD2 3.41Å; E202-F204 WeakPolarHBondContact OE2-CE2 3.44Å; F204-L376 HydrophobicContact CE2-CD1 3.45Å; F204-L376 VanDerWaalsContact CE2-CD1 3.45Å; F204-L376 HydrophobicContact CZ-CD1 3.75Å; F204-L376 HydrophobicContact CZ-CD2 4.22Å
205	C	91.3	Very high	79.5	Confident	0 Å²	0	62.1 Å²	62.1	0%	0	32%	0.322	C	S	.	.	S	Bend	trans	-123.3	157.3	178.6	-68.6	0	0	0	0	112.2	Y162 C165 L195 L198 S199 W203	Y162-C205 WeakPolarHBondContact CE1-O 3.5Å; C165-C205 WeakPolarHBondContact CA-SG 3.34Å; C165-C205 HydrophobicContact CB-CB 4.01Å; C165-C205 WeakPolarHBondContact CB-SG 3.47Å; C165-C205 WeakPolarHBondContact SG-CB 3.3Å; C165-C205 CovalentContact SG-SG 2.04Å; C165-C205 PolarHBondContact SG-SG 3.27Å; L195-C205 HydrophobicContact CD1-CB 3.9Å; L198-C205 HydrophobicContact CB-CB 4.17Å; L198-C205 PolarHBondContact O-N 3.21Å; S199-C205 WeakPolarHBondContact CA-O 3.21Å; W203-C205 VanDerWaalsContact C-N 3.31Å
206	P	89.2	Confident	77	Confident	21 Å²	21	67.8 Å²	67.8	14%	0.136	36%	0.357	C	S	.	.			trans	-59.3	143.5	176.3	-20.3	29	0	0	0	112.6	P157 D159 Y162 S199	P157-P206 HydrophobicContact CB-CG 4.05Å; P157-P206 HydrophobicContact CG-CG 4.49Å; D159-P206 HydrophobicContact CB-CG 3.84Å; Y162-P206 HydrophobicContact CD2-CB 4.14Å; Y162-P206 HydrophobicContact CD2-CG 3.57Å; Y162-P206 HydrophobicContact CE2-CB 4.06Å; Y162-P206 HydrophobicContact CE2-CG 4.01Å; Y162-P206 HydrophobicContact CG-CG 4Å; S199-P206 WeakPolarHBondContact CB-O 3.39Å
207	P	85.4	Confident	74.6	Confident	78 Å²	78	70.5 Å²	70.5	51%	0.506	38%	0.377	S	S	.	.			trans	-56.8	139.4	171.6	-23.9	33.5	0	0	0	112.2	P209	P207-P209 WeakPolarHBondContact O-CD 3.2Å
208	L	83.9	Confident	72.1	Confident	8 Å²	8	76.5 Å²	76.5	4%	0.042	41%	0.414	C	S	.	.			trans	-82.3	115.1	-173.7	-59.1	-177.9	0	0	0	112	L195 I196 W210 R211	L195-L208 HydrophobicContact CD2-CD2 3.79Å; L195-L208 HydrophobicContact CG-CD1 4.49Å; L195-L208 HydrophobicContact CG-CD2 3.97Å; I196-L208 HydrophobicContact CB-CD1 4.49Å; I196-L208 HydrophobicContact CG1-CD1 3.59Å; L208-W210 VanDerWaalsContact C-N 3.26Å; L208-W210 HydrophobicContact CB-CD2 4.31Å; L208-W210 HydrophobicContact CB-CH2 4.47Å; L208-W210 HydrophobicContact CB-CZ2 4Å; L208-W210 HydrophobicContact CD1-CZ2 3.89Å; L208-W210 HydrophobicContact CD2-CH2 3.74Å; L208-W210 HydrophobicContact CD2-CZ2 3.65Å; L208-W210 HydrophobicContact CG-CZ2 4.05Å; L208-W210 PolarHBondContact O-N 2.93Å; L208-R211 PolarHBondContact O-N 3.17Å; L208-R211 VanDerWaalsContact O-N 3.16Å
209	P	74.6	Confident	70.1	Confident	100 Å²	100	81.9 Å²	81.9	65%	0.649	44%	0.442	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.6	-27.6	-172.5	-23.8	33.3	0	0	0	115.1	P207 R211	P207-P209 WeakPolarHBondContact O-CD 3.2Å; P209-R211 VanDerWaalsContact C-N 3.35Å
210	W	71.6	Confident	68.1	Low	132 Å²	132	90.3 Å²	90.3	50%	0.5	48%	0.478	S	S	.	.	T	Hydrogen-bonded Turn	trans	-83.6	-9.1	-178	55.9	86	0	0	0	113.8	F151 L208	F151-W210 HydrophobicContact CE1-CB 4.04Å; F151-W210 AromaticContact CE1-CD1 3.75Å; F151-W210 AromaticContact CE1-CG 3.9Å; F151-W210 HydrophobicContact CE1-CG 3.9Å; F151-W210 HydrophobicContact CZ-CB 4.47Å; L208-W210 VanDerWaalsContact C-N 3.26Å; L208-W210 HydrophobicContact CB-CD2 4.31Å; L208-W210 HydrophobicContact CB-CH2 4.47Å; L208-W210 HydrophobicContact CB-CZ2 4Å; L208-W210 HydrophobicContact CD1-CZ2 3.89Å; L208-W210 HydrophobicContact CD2-CH2 3.74Å; L208-W210 HydrophobicContact CD2-CZ2 3.65Å; L208-W210 HydrophobicContact CG-CZ2 4.05Å; L208-W210 PolarHBondContact O-N 2.93Å
211	R	72.2	Confident	66.8	Low	118 Å²	118	92.2 Å²	92.2	45%	0.445	50%	0.498	S	S	.	.	S	Bend	trans	-89.8	122.2	166.4	-83.3	-169.3	159	-142.6	-2.3	107.8	E200 L208 P209 Q213	E200-R211 WeakPolarHBondContact OE1-CD 3.23Å; E200-R211 IonicContact OE1-NE 3.56Å; E200-R211 IonicContact OE1-NH1 2.75Å; E200-R211 IonicContact OE2-NH1 3.41Å; E200-R211 PolarHBondContact OE2-NH1 2.85Å; L208-R211 PolarHBondContact O-N 3.17Å; L208-R211 VanDerWaalsContact O-N 3.16Å; P209-R211 VanDerWaalsContact C-N 3.35Å; R211-Q213 PolarHBondContact O-N 3.42Å
212	N	56.3	Low	65.8	Low	141 Å²	141	95.9 Å²	95.9	75%	0.754	52%	0.516	S	S	*	.			trans	-47.9	116.3	176.9	-80.2	-24	0	0	0	109.6	T214	N212-T214 WeakPolarHBondContact CB-OG1 3.33Å; N212-T214 PolarHBondContact O-N 3.08Å
213	Q	53	Low	65.1	Low	159 Å²	159	100 Å²	100	74%	0.743	54%	0.544	S	S	*	.	G	3₁₀ helix	trans	-65.1	9.4	178.4	-66	179.8	-2.4	0	0	113.6	R211 A215	R211-Q213 PolarHBondContact O-N 3.42Å; Q213-A215 PolarHBondContact O-N 3.31Å
214	T	44.3	Very low	64.9	Low	128 Å²	128	100.6 Å²	100.6	79%	0.785	55%	0.55	S	S	*	*	G	3₁₀ helix	trans	-76.4	6.5	-176.1	42.5	0	0	0	0	114.6	N212	N212-T214 WeakPolarHBondContact CB-OG1 3.33Å; N212-T214 PolarHBondContact O-N 3.08Å
215	A	43.8	Very low	65	Low	84 Å²	84	107 Å²	107	69%	0.694	57%	0.573	S	S	*	*	G	3₁₀ helix	trans	-127.8	26.5	-174.2	0	0	0	0	0	115.8	Q213 P217	Q213-A215 PolarHBondContact O-N 3.31Å; A215-P217 VanDerWaalsContact C-CD 3.46Å; A215-P217 WeakPolarHBondContact O-CD 3.21Å
216	T	39.9	Very low	65.1	Low	120 Å²	120	112 Å²	112	74%	0.736	60%	0.597	S	S	*	*	S	Bend	trans	-83.2	99.3	137.6	12.4	0	0	0	0	105	T218	T216-T218 VanDerWaalsContact C-N 3.27Å; T216-T218 PolarHBondContact O-N 3.49Å
217	P	41.7	Very low	65.4	Low	96 Å²	96	111.2 Å²	111.2	62%	0.623	59%	0.591	S	S	*	*			trans	-57.2	108.5	162.7	25.3	-30.2	0	0	0	104.2	A215 L219	A215-P217 VanDerWaalsContact C-CD 3.46Å; A215-P217 WeakPolarHBondContact O-CD 3.21Å; P217-L219 HydrophobicContact CG-CD1 4.43Å; P217-L219 PolarHBondContact O-N 2.87Å
218	T	39.2	Very low	65.8	Low	130 Å²	130	111.7 Å²	111.7	80%	0.798	59%	0.593	S	S	*	*			trans	-55.9	90.9	154.4	40.7	0	0	0	0	103.5	T216 K220	T216-T218 VanDerWaalsContact C-N 3.27Å; T216-T218 PolarHBondContact O-N 3.49Å; T218-K220 VanDerWaalsContact C-N 3.29Å; T218-K220 PolarHBondContact O-N 3.21Å
219	L	50.8	Low	66.4	Low	112 Å²	112	112.8 Å²	112.8	59%	0.586	60%	0.597	S	S	*	*			trans	-57	106.2	176.7	-125.8	103.9	0	0	0	102.7	P217 P221 P354	P217-L219 HydrophobicContact CG-CD1 4.43Å; P217-L219 PolarHBondContact O-N 2.87Å; L219-P221 WeakPolarHBondContact O-CD 3.47Å; L219-P221 VanDerWaalsContact O-N 3.08Å; L219-P354 HydrophobicContact CD1-CG 4.25Å
220	K	49.6	Very low	67.3	Low	181 Å²	181	111.5 Å²	111.5	79%	0.787	58%	0.583	S	S	*	*	P	Polyproline II helix	trans	-50.9	126.5	174.4	-79.6	-175	176.5	-179.5	0	105.1	T218 L222	T218-K220 VanDerWaalsContact C-N 3.29Å; T218-K220 PolarHBondContact O-N 3.21Å; K220-L222 PolarHBondContact O-N 2.94Å
221	P	60	Low	68.3	Low	122 Å²	122	109.5 Å²	109.5	79%	0.792	59%	0.589	S	S	*	*	P	Polyproline II helix	trans	-49	125.9	177.5	-23.8	30.4	0	0	0	107.4	L219	L219-P221 WeakPolarHBondContact O-CD 3.47Å; L219-P221 VanDerWaalsContact O-N 3.08Å
222	L	65.8	Low	69.3	Low	104 Å²	104	108.3 Å²	108.3	55%	0.545	59%	0.591	S	S	.	*	P	Polyproline II helix	trans	-52.6	138.3	175.5	-80.8	155.9	0	0	0	107.6	K220 K224	K220-L222 PolarHBondContact O-N 2.94Å; L222-K224 PolarHBondContact O-N 2.95Å; L222-K224 VanDerWaalsContact O-N 3.14Å
223	P	74.9	Confident	71.1	Confident	101 Å²	101	102.3 Å²	102.3	66%	0.656	56%	0.559	S	S	*	*	P	Polyproline II helix	trans	-56.2	125.8	-178.6	19.9	-29.8	0	0	0	109.3	R225	P223-R225 PolarHBondContact O-N 3.02Å
224	K	85.5	Confident	73.1	Confident	140 Å²	140	96 Å²	96	61%	0.609	54%	0.536	S	S	*	.	P	Polyproline II helix	trans	-59.5	125	179.6	-60.8	-165.7	168.1	-151.9	0	109.1	L222 W276 E278	L222-K224 PolarHBondContact O-N 2.95Å; L222-K224 VanDerWaalsContact O-N 3.14Å; K224-W276 HydrophobicContact CB-CH2 4.24Å; K224-W276 HydrophobicContact CB-CZ2 4.23Å; K224-W276 HydrophobicContact CD-CH2 4.15Å; K224-E278 HydrophobicContact CB-CG 4.46Å; K224-E278 HydrophobicContact CD-CG 4.46Å; K224-E278 WeakPolarHBondContact CD-OE1 3.28Å; K224-E278 WeakPolarHBondContact CE-OE1 3.2Å; K224-E278 VanDerWaalsContact CG-OE1 3.22Å; K224-E278 WeakPolarHBondContact CG-OE1 3.27Å; K224-E278 IonicContact NZ-OE1 3.17Å; K224-E278 PolarHBondContact NZ-OE1 2.76Å; K224-E278 IonicContact NZ-OE2 3.46Å; K224-E278 PolarHBondContact NZ-OE2 2.92Å
225	R	92.6	Very high	75.5	Confident	171 Å²	171	92.2 Å²	92.2	65%	0.645	52%	0.515	S	S	*	.	P	Polyproline II helix	trans	-99	146.4	175.6	-67.4	-178.2	178.9	-176.2	-1.2	109.5	P223 Q279	P223-R225 PolarHBondContact O-N 3.02Å; R225-Q279 HydrophobicContact CB-CB 4.07Å; R225-Q279 WeakPolarHBondContact O-CB 3.16Å; R225-Q279 PolarHBondContact O-N 2.7Å
226	Q	93.4	Very high	78	Confident	107 Å²	107	88.2 Å²	88.2	50%	0.5	48%	0.482	S	S	.	.	B	Isolated β-bridge	trans	-76.6	131.9	172	-172.6	175.1	8.7	0	0	109.4	R277	Q226-R277 CarbonylContact C-O 3.31Å; Q226-R277 WeakPolarHBondContact CA-O 3.34Å
227	A	95.3	Very high	80.7	Confident	3 Å²	3	83 Å²	83	3%	0.025	45%	0.449	C	S	.	.	P	Polyproline II helix	trans	-74.3	126.5	169.6	0	0	0	0	0	109.4	R277 Q279	A227-R277 HydrophobicContact CB-CB 4.13Å; A227-R277 PolarHBondContact N-O 3.5Å; A227-R277 PolarHBondContact O-NH2 2.59Å; A227-Q279 HydrophobicContact CB-CB 4.13Å
228	V	94.3	Very high	83.2	Confident	88 Å²	88	85.6 Å²	85.6	53%	0.533	45%	0.453	S	S	.	.			trans	-115.6	131.1	177.7	-179.2	0	0	0	0	108.4	Q230 G324	V228-Q230 PolarHBondContact O-N 2.78Å; V228-Q230 PolarHBondContact O-NE2 3.33Å; V228-G324 WeakPolarHBondContact O-CA 3.1Å
229	F	95.5	Very high	85.8	Confident	32 Å²	32	83.2 Å²	83.2	14%	0.14	43%	0.433	C	S	.	.			trans	-55	132.5	178.5	-75.9	-80.8	0	0	0	111.3	A265 L268 D269 L272 R277 V322 L323	F229-A265 HydrophobicContact CB-CB 4.43Å; F229-A265 HydrophobicContact CD1-CB 3.91Å; F229-A265 HydrophobicContact CG-CB 4.45Å; F229-L268 HydrophobicContact CE1-CD2 4.1Å; F229-L268 HydrophobicContact CE1-CG 4.45Å; F229-L268 HydrophobicContact CZ-CB 4.39Å; F229-L268 HydrophobicContact CZ-CD2 4.12Å; F229-L268 HydrophobicContact CZ-CG 4.11Å; F229-D269 HydrophobicContact CD2-CB 3.63Å; F229-D269 WeakPolarHBondContact CD2-OD1 3.44Å; F229-D269 HydrophobicContact CE2-CB 3.53Å; F229-D269 VanDerWaalsContact CE2-OD1 3.25Å; F229-D269 WeakPolarHBondContact CE2-OD1 3.4Å; F229-D269 HydrophobicContact CZ-CB 4.32Å; F229-L272 HydrophobicContact CZ-CD1 4.14Å; F229-R277 VanDerWaalsContact CD2-NH2 3.32Å; F229-R277 VanDerWaalsContact CE2-NH2 3.29Å; F229-V322 CarbonylContact C-O 3.51Å; F229-V322 VanDerWaalsContact CA-O 3.24Å; F229-V322 WeakPolarHBondContact CA-O 2.96Å; F229-V322 WeakPolarHBondContact CD1-O 3.44Å; F229-L323 HydrophobicContact CE1-CD2 3.8Å; F229-L323 HydrophobicContact CZ-CD2 4.4Å
230	Q	94.6	Very high	87.9	Confident	73 Å²	73	78.1 Å²	78.1	34%	0.341	41%	0.407	S	S	.	.			trans	-104.6	119.8	-179	-61.1	-63.1	-31.7	0	0	110.1	V228 H321 V322	V228-Q230 PolarHBondContact O-N 2.78Å; V228-Q230 PolarHBondContact O-NE2 3.33Å; Q230-H321 WeakPolarHBondContact CB-O 3.41Å; Q230-H321 WeakPolarHBondContact CG-O 3.46Å; Q230-V322 PolarHBondContact N-O 2.95Å
231	S	91	Very high	89.8	Confident	89 Å²	89	70.6 Å²	70.6	62%	0.622	38%	0.381	S	S	*	.			trans	-92.5	-24.1	171.7	58.1	0	0	0	0	113
232	D	93.3	Very high	90.9	Very high	93 Å²	93	69.3 Å²	69.3	50%	0.497	37%	0.37	S	S	.	.			trans	-82.6	125	176.5	176.3	47.3	0	0	0	110.8	G234 H321	D232-G234 PolarHBondContact OD1-N 3.38Å; D232-G234 PolarHBondContact OD2-N 3.2Å; D232-H321 PolarHBondContact O-NE2 3.45Å
233	I	95	Very high	91.6	Very high	16 Å²	16	67.8 Å²	67.8	8%	0.082	38%	0.38	C	S	.	.			trans	-100.8	0.5	176.5	60.9	148.4	0	0	0	112.7	S235 L236 L237 I254 R255	I233-S235 PolarHBondContact O-N 3.39Å; I233-L236 PolarHBondContact O-N 3.24Å; I233-L237 HydrophobicContact CD1-CD1 3.7Å; I233-L237 HydrophobicContact CD1-CD2 4.46Å; I233-L237 HydrophobicContact CD1-CG 4.01Å; I233-L237 HydrophobicContact CG1-CD1 4.33Å; I233-L237 WeakPolarHBondContact O-CG 3.15Å; I233-L237 PolarHBondContact O-N 3.03Å; I233-I254 HydrophobicContact CB-CG2 4.4Å; I233-I254 HydrophobicContact CD1-CG2 3.94Å; I233-R255 HydrophobicContact CD1-CB 4.44Å
234	G	94.8	Very high	92.1	Very high	25 Å²	25	64.7 Å²	64.7	26%	0.258	36%	0.357	S	S	.	.	H	α-helix	trans	-56.2	-52.6	-176.4	0	0	0	0	0	112.1	D232 L236 L237 E238	D232-G234 PolarHBondContact OD1-N 3.38Å; D232-G234 PolarHBondContact OD2-N 3.2Å; G234-L236 VanDerWaalsContact C-N 3.32Å; G234-L236 PolarHBondContact O-N 2.96Å; G234-L237 PolarHBondContact O-N 3.49Å; G234-E238 PolarHBondContact O-N 3.37Å
235	S	94	Very high	92.1	Very high	49 Å²	49	61.9 Å²	61.9	34%	0.343	35%	0.345	S	S	.	.	H	α-helix	trans	-60.3	-37.4	177.2	56	0	0	0	0	113.4	I233 Q239 H321	I233-S235 PolarHBondContact O-N 3.39Å; S235-Q239 WeakPolarHBondContact O-CG 3.3Å; S235-Q239 PolarHBondContact O-N 3.23Å; S235-H321 PolarHBondContact OG-CE1 3.09Å; S235-H321 VanDerWaalsContact OG-CE1 3.29Å
236	L	96.6	Very high	91.9	Very high	0 Å²	0	53.7 Å²	53.7	0%	0	32%	0.315	C	S	.	.	H	α-helix	trans	-64.6	-47.8	174.5	177.1	62.4	0	0	0	111.1	I233 G234 E238 Q239 V240 I254 L317 H321 I329	I233-L236 PolarHBondContact O-N 3.24Å; G234-L236 VanDerWaalsContact C-N 3.32Å; G234-L236 PolarHBondContact O-N 2.96Å; L236-E238 VanDerWaalsContact C-N 3.29Å; L236-E238 PolarHBondContact O-N 3.42Å; L236-Q239 PolarHBondContact O-N 3.21Å; L236-V240 HydrophobicContact CD1-CG2 4.4Å; L236-V240 WeakPolarHBondContact O-CG2 3.42Å; L236-V240 PolarHBondContact O-N 2.73Å; L236-I254 HydrophobicContact CD2-CD1 4.35Å; L236-I254 HydrophobicContact CD2-CG2 4.07Å; L236-L317 HydrophobicContact CD1-CB 4.38Å; L236-H321 HydrophobicContact CB-CB 4.47Å; L236-H321 HydrophobicContact CD1-CB 4.2Å; L236-H321 HydrophobicContact CD2-CB 3.89Å; L236-H321 HydrophobicContact CG-CB 4.41Å; L236-I329 HydrophobicContact CD1-CD1 3.98Å
237	L	96.7	Very high	91.8	Very high	10 Å²	10	49 Å²	49	5%	0.052	29%	0.293	C	S	.	.	H	α-helix	trans	-58.3	-44.1	-179.9	-72.4	177.1	0	0	0	110.9	I233 G234 Q239 V240 G241 R251 I254 R255	I233-L237 HydrophobicContact CD1-CD1 3.7Å; I233-L237 HydrophobicContact CD1-CD2 4.46Å; I233-L237 HydrophobicContact CD1-CG 4.01Å; I233-L237 HydrophobicContact CG1-CD1 4.33Å; I233-L237 WeakPolarHBondContact O-CG 3.15Å; I233-L237 PolarHBondContact O-N 3.03Å; G234-L237 PolarHBondContact O-N 3.49Å; L237-Q239 PolarHBondContact O-N 3.25Å; L237-V240 PolarHBondContact O-N 2.74Å; L237-G241 PolarHBondContact O-N 3.07Å; L237-R251 HydrophobicContact CD2-CB 3.96Å; L237-R251 HydrophobicContact CD2-CG 3.94Å; L237-R251 PolarHBondContact O-NH1 2.96Å; L237-I254 HydrophobicContact CD2-CB 3.97Å; L237-I254 HydrophobicContact CD2-CG2 3.86Å; L237-I254 HydrophobicContact CG-CG2 4.48Å; L237-R255 HydrophobicContact CD1-CB 4.49Å
238	E	94.6	Very high	91.7	Very high	152 Å²	152	50.1 Å²	50.1	71%	0.71	30%	0.301	S	S	*	.	H	α-helix	trans	-55.5	-48.5	176.2	-72.8	176.1	-177.6	0	0	112	G234 L236 V240 G241	G234-E238 PolarHBondContact O-N 3.37Å; L236-E238 VanDerWaalsContact C-N 3.29Å; L236-E238 PolarHBondContact O-N 3.42Å; E238-V240 PolarHBondContact O-N 3.39Å; E238-G241 PolarHBondContact O-N 3.14Å; E238-G241 VanDerWaalsContact O-N 3.17Å
239	Q	94.4	Very high	91.5	Very high	79 Å²	79	47.7 Å²	47.7	37%	0.369	28%	0.283	S	S	.	.	H	α-helix	trans	-64	-35.4	178.8	-70.1	-168	70.9	0	0	113.8	S235 L236 L237 G241 V327 I329	S235-Q239 WeakPolarHBondContact O-CG 3.3Å; S235-Q239 PolarHBondContact O-N 3.23Å; L236-Q239 PolarHBondContact O-N 3.21Å; L237-Q239 PolarHBondContact O-N 3.25Å; Q239-G241 PolarHBondContact O-N 2.69Å; Q239-V327 PolarHBondContact NE2-O 2.78Å; Q239-V327 PolarHBondContact OE1-O 3.19Å; Q239-I329 HydrophobicContact CB-CD1 3.93Å; Q239-I329 HydrophobicContact CB-CG1 4.44Å
240	V	94.3	Very high	91.4	Very high	6 Å²	6	46.3 Å²	46.3	4%	0.036	28%	0.277	C	S	.	.	H	α-helix	trans	-63.8	-29.7	176.8	175.9	0	0	0	0	111.7	L236 L237 E238 L247 M250 R251 I254 L317 I329	L236-V240 HydrophobicContact CD1-CG2 4.4Å; L236-V240 WeakPolarHBondContact O-CG2 3.42Å; L236-V240 PolarHBondContact O-N 2.73Å; L237-V240 PolarHBondContact O-N 2.74Å; E238-V240 PolarHBondContact O-N 3.39Å; V240-L247 HydrophobicContact CG1-CB 4.32Å; V240-L247 HydrophobicContact CG1-CD2 4.31Å; V240-M250 HydrophobicContact CG1-CB 4.5Å; V240-M250 HydrophobicContact CG1-CE 4.47Å; V240-R251 HydrophobicContact CB-CG 3.95Å; V240-R251 HydrophobicContact CG1-CG 3.64Å; V240-I254 HydrophobicContact CG2-CD1 4.14Å; V240-L317 HydrophobicContact CG2-CD1 4.16Å; V240-I329 HydrophobicContact CG2-CD1 3.67Å
241	G	89.3	Confident	91.4	Very high	23 Å²	23	45 Å²	45	24%	0.237	27%	0.269	C	S	.	.			trans	67.8	174.8	179.2	0	0	0	0	0	114.5	L237 E238 Q239 R251	L237-G241 PolarHBondContact O-N 3.07Å; E238-G241 PolarHBondContact O-N 3.14Å; E238-G241 VanDerWaalsContact O-N 3.17Å; Q239-G241 PolarHBondContact O-N 2.69Å; G241-R251 WeakPolarHBondContact O-CD 3.38Å
242	T	82.2	Confident	91.5	Very high	94 Å²	94	47.7 Å²	47.7	58%	0.577	27%	0.265	S	S	*	.	S	Bend	trans	-125.7	14.9	-177.8	56.6	0	0	0	0	112.9	K244	T242-K244 PolarHBondContact O-N 3.05Å
243	G	81.2	Confident	91.6	Very high	73 Å²	73	43.5 Å²	43.5	75%	0.753	24%	0.242	S	C	*	.	S	Bend	trans	-69.6	-14.1	-171.6	0	0	0	0	0	115.2
244	K	84.9	Confident	91.7	Very high	36 Å²	36	42.8 Å²	42.8	16%	0.157	24%	0.239	C	C	.	.	S	Bend	trans	-138.7	151.5	-178.9	-56.4	-173.5	178.8	-163.3	0	110.8	T242 S246 L247 S248 L289 D295	T242-K244 PolarHBondContact O-N 3.05Å; K244-S246 WeakPolarHBondContact CB-OG 3.17Å; K244-S246 PolarHBondContact O-N 3.34Å; K244-L247 HydrophobicContact CB-CD1 4.04Å; K244-L247 HydrophobicContact CB-CG 4.04Å; K244-L247 HydrophobicContact CG-CD1 4.18Å; K244-L247 WeakPolarHBondContact O-CB 3.47Å; K244-L247 PolarHBondContact O-N 3.08Å; K244-S248 PolarHBondContact O-N 3.18Å; K244-S248 PolarHBondContact O-OG 3.18Å; K244-L289 PolarHBondContact NZ-O 3.44Å; K244-D295 IonicContact NZ-OD2 3.53Å
245	E	86.9	Confident	91.7	Very high	80 Å²	80	48.7 Å²	48.7	37%	0.374	25%	0.253	S	S	.	.	H	α-helix	trans	-60.8	-34.3	177.3	-75.3	-57.6	140	0	0	113.1	S248 F249 L302	E245-S248 PolarHBondContact O-N 3.22Å; E245-F249 WeakPolarHBondContact O-CB 3.37Å; E245-F249 PolarHBondContact O-N 3.2Å; E245-L302 HydrophobicContact CG-CD1 4.09Å; E245-L302 HydrophobicContact CG-CD2 4.32Å; E245-L302 HydrophobicContact CG-CG 4.2Å
246	S	88.5	Confident	91.7	Very high	0 Å²	0	50.4 Å²	50.4	0%	0	25%	0.252	C	S	.	.	H	α-helix	trans	-58.6	-45.7	171.6	47.1	0	0	0	0	112.1	K244 F249 M250 S298	K244-S246 WeakPolarHBondContact CB-OG 3.17Å; K244-S246 PolarHBondContact O-N 3.34Å; S246-F249 WeakPolarHBondContact O-CB 3.48Å; S246-F249 PolarHBondContact O-N 3.12Å; S246-M250 WeakPolarHBondContact O-CG 3.4Å; S246-M250 PolarHBondContact O-N 3.41Å; S246-S298 PolarHBondContact OG-OG 3.32Å
247	L	91.6	Very high	91.7	Very high	9 Å²	9	50.5 Å²	50.5	5%	0.047	25%	0.252	C	S	.	.	H	α-helix	trans	-66.9	-42	176.4	-56	172.7	0	0	0	111.3	V240 K244 F249 M250 R251 L289 V331	V240-L247 HydrophobicContact CG1-CB 4.32Å; V240-L247 HydrophobicContact CG1-CD2 4.31Å; K244-L247 HydrophobicContact CB-CD1 4.04Å; K244-L247 HydrophobicContact CB-CG 4.04Å; K244-L247 HydrophobicContact CG-CD1 4.18Å; K244-L247 WeakPolarHBondContact O-CB 3.47Å; K244-L247 PolarHBondContact O-N 3.08Å; L247-F249 VanDerWaalsContact C-N 3.31Å; L247-F249 PolarHBondContact O-N 3.23Å; L247-M250 HydrophobicContact CD2-CE 3.57Å; L247-M250 PolarHBondContact O-N 2.93Å; L247-R251 WeakPolarHBondContact O-CG 3.25Å; L247-R251 PolarHBondContact O-N 3.35Å; L247-L289 HydrophobicContact CD2-CD1 4.16Å; L247-V331 HydrophobicContact CD1-CG2 4.4Å; L247-V331 HydrophobicContact CD2-CG1 4.09Å
248	S	91.3	Very high	91.7	Very high	26 Å²	26	51.8 Å²	51.8	18%	0.182	26%	0.262	C	S	.	.	H	α-helix	trans	-61.2	-37.8	174.3	-68.3	0	0	0	0	112.5	K244 E245 R252	K244-S248 PolarHBondContact O-N 3.18Å; K244-S248 PolarHBondContact O-OG 3.18Å; E245-S248 PolarHBondContact O-N 3.22Å; S248-R252 WeakPolarHBondContact O-CG 3.31Å; S248-R252 PolarHBondContact O-N 3.08Å; S248-R252 VanDerWaalsContact O-N 3.1Å; S248-R252 PolarHBondContact O-NE 2.86Å
249	F	90.8	Very high	91.7	Very high	36 Å²	36	48 Å²	48	16%	0.158	26%	0.257	C	S	.	.	H	α-helix	trans	-61.4	-51.6	171.4	173.5	-91	0	0	0	111.5	E245 S246 L247 R251 R252 R253 V301 L307 M310 V311	E245-F249 WeakPolarHBondContact O-CB 3.37Å; E245-F249 PolarHBondContact O-N 3.2Å; S246-F249 WeakPolarHBondContact O-CB 3.48Å; S246-F249 PolarHBondContact O-N 3.12Å; L247-F249 VanDerWaalsContact C-N 3.31Å; L247-F249 PolarHBondContact O-N 3.23Å; F249-R251 PolarHBondContact O-N 3.47Å; F249-R252 PolarHBondContact O-N 3.05Å; F249-R253 PolarHBondContact O-N 3.17Å; F249-R253 VanDerWaalsContact O-N 3.09Å; F249-V301 HydrophobicContact CB-CG1 4.3Å; F249-L307 HydrophobicContact CE2-CD1 3.93Å; F249-L307 HydrophobicContact CZ-CB 4.29Å; F249-L307 HydrophobicContact CZ-CD1 4.22Å; F249-M310 HydrophobicContact CD1-CB 3.88Å; F249-M310 HydrophobicContact CE1-CB 3.88Å; F249-V311 HydrophobicContact CE1-CG2 4.09Å; F249-V311 HydrophobicContact CZ-CG2 4.02Å
250	M	93.6	Very high	91.8	Very high	3 Å²	3	46.3 Å²	46.3	2%	0.015	25%	0.249	C	C	.	.	H	α-helix	trans	-58.7	-46.6	178.8	-67.3	-164.7	-70.3	0	0	111.2	V240 S246 L247 R252 R253 I254 L289 M310 W313 A314	V240-M250 HydrophobicContact CG1-CB 4.5Å; V240-M250 HydrophobicContact CG1-CE 4.47Å; S246-M250 WeakPolarHBondContact O-CG 3.4Å; S246-M250 PolarHBondContact O-N 3.41Å; L247-M250 HydrophobicContact CD2-CE 3.57Å; L247-M250 PolarHBondContact O-N 2.93Å; M250-R252 PolarHBondContact O-N 3.45Å; M250-R253 WeakPolarHBondContact O-CB 3.25Å; M250-R253 PolarHBondContact O-N 3.33Å; M250-R253 VanDerWaalsContact O-N 3.11Å; M250-I254 VanDerWaalsContact O-CG1 3.24Å; M250-I254 WeakPolarHBondContact O-CG1 3.08Å; M250-I254 PolarHBondContact O-N 2.83Å; M250-L289 HydrophobicContact CE-CD1 3.94Å; M250-M310 HydrophobicContact CG-CB 4.44Å; M250-W313 HydrophobicContact SD-CB 3.91Å; M250-A314 HydrophobicContact CB-CB 3.92Å; M250-A314 HydrophobicContact CG-CB 3.93Å; M250-A314 HydrophobicContact SD-CB 4.33Å
251	R	95.3	Very high	92	Very high	46 Å²	46	46.1 Å²	46.1	17%	0.174	25%	0.248	C	C	.	.	H	α-helix	trans	-58.6	-44	177.3	-75.1	-177.6	63.6	137.1	3.6	113.7	L237 V240 G241 L247 F249 R253 I254 R255	L237-R251 HydrophobicContact CD2-CB 3.96Å; L237-R251 HydrophobicContact CD2-CG 3.94Å; L237-R251 PolarHBondContact O-NH1 2.96Å; V240-R251 HydrophobicContact CB-CG 3.95Å; V240-R251 HydrophobicContact CG1-CG 3.64Å; G241-R251 WeakPolarHBondContact O-CD 3.38Å; L247-R251 WeakPolarHBondContact O-CG 3.25Å; L247-R251 PolarHBondContact O-N 3.35Å; F249-R251 PolarHBondContact O-N 3.47Å; R251-R253 VanDerWaalsContact C-N 3.28Å; R251-R253 PolarHBondContact O-N 3.16Å; R251-I254 PolarHBondContact O-N 2.99Å; R251-R255 WeakPolarHBondContact O-CB 3.42Å; R251-R255 PolarHBondContact O-N 2.85Å
252	R	93.2	Very high	92.3	Very high	145 Å²	145	46.1 Å²	46.1	55%	0.547	25%	0.246	S	C	.	.	H	α-helix	trans	-60.6	-40.8	176.7	-77.9	-177.5	-69.9	-153.8	-3.2	111.1	S248 F249 M250 R256	S248-R252 WeakPolarHBondContact O-CG 3.31Å; S248-R252 PolarHBondContact O-N 3.08Å; S248-R252 VanDerWaalsContact O-N 3.1Å; S248-R252 PolarHBondContact O-NE 2.86Å; F249-R252 PolarHBondContact O-N 3.05Å; M250-R252 PolarHBondContact O-N 3.45Å; R252-R256 WeakPolarHBondContact O-CB 3.48Å; R252-R256 PolarHBondContact O-N 3.41Å
253	R	94.1	Very high	93	Very high	6 Å²	6	43.4 Å²	43.4	2%	0.023	23%	0.231	C	C	.	.	H	α-helix	trans	-65.6	-51.6	176.7	179.4	176.8	175.7	80.6	13.8	112.1	F249 M250 R251 R255 R256 L257 A314 D315 V438	F249-R253 PolarHBondContact O-N 3.17Å; F249-R253 VanDerWaalsContact O-N 3.09Å; M250-R253 WeakPolarHBondContact O-CB 3.25Å; M250-R253 PolarHBondContact O-N 3.33Å; M250-R253 VanDerWaalsContact O-N 3.11Å; R251-R253 VanDerWaalsContact C-N 3.28Å; R251-R253 PolarHBondContact O-N 3.16Å; R253-R255 VanDerWaalsContact C-N 3.28Å; R253-R255 PolarHBondContact O-N 2.89Å; R253-R256 PolarHBondContact O-N 3.3Å; R253-R256 VanDerWaalsContact O-N 3.1Å; R253-L257 HydrophobicContact CG-CD1 4.35Å; R253-L257 PolarHBondContact O-N 2.92Å; R253-L257 VanDerWaalsContact O-N 3.09Å; R253-A314 HydrophobicContact CG-CB 4.49Å; R253-D315 IonicContact CZ-OD1 2.72Å; R253-D315 IonicContact CZ-OD2 2.92Å; R253-D315 IonicContact NE-OD1 3.35Å; R253-D315 PolarHBondContact NE-OD1 3.38Å; R253-D315 IonicContact NE-OD2 2.81Å; R253-D315 IonicContact NH2-OD1 3.95Å; R253-D315 PolarHBondContact NH2-OD1 3.14Å; R253-D315 VanDerWaalsContact NH2-OD1 3.15Å; R253-D315 IonicContact NH2-OD2 3.55Å; R253-D315 PolarHBondContact NH2-OD2 3.21Å; R253-V438 PolarHBondContact NH2-O 3.1Å
254	I	96.9	Very high	93.8	Very high	0 Å²	0	40 Å²	40	0%	0	20%	0.195	C	C	.	.	H	α-helix	trans	-54.7	-47	178.4	-64.4	171.7	0	0	0	110.2	I233 L236 L237 V240 M250 R251 R256 L257 S258 A314 T318	I233-I254 HydrophobicContact CB-CG2 4.4Å; I233-I254 HydrophobicContact CD1-CG2 3.94Å; L236-I254 HydrophobicContact CD2-CD1 4.35Å; L236-I254 HydrophobicContact CD2-CG2 4.07Å; L237-I254 HydrophobicContact CD2-CB 3.97Å; L237-I254 HydrophobicContact CD2-CG2 3.86Å; L237-I254 HydrophobicContact CG-CG2 4.48Å; V240-I254 HydrophobicContact CG2-CD1 4.14Å; M250-I254 VanDerWaalsContact O-CG1 3.24Å; M250-I254 WeakPolarHBondContact O-CG1 3.08Å; M250-I254 PolarHBondContact O-N 2.83Å; R251-I254 PolarHBondContact O-N 2.99Å; I254-R256 PolarHBondContact O-N 2.94Å; I254-L257 PolarHBondContact O-N 3.46Å; I254-S258 PolarHBondContact O-N 2.98Å; I254-S258 VanDerWaalsContact O-N 3.12Å; I254-A314 HydrophobicContact CG1-CB 4.16Å; I254-T318 WeakPolarHBondContact CG1-OG1 3.19Å
255	R	96.2	Very high	94.3	Very high	149 Å²	149	38.5 Å²	38.5	56%	0.562	19%	0.19	S	C	*	.	H	α-helix	trans	-61.7	-44.6	177.9	-174.3	177.4	-70.1	165.7	-5.8	112.3	I233 L237 R251 R253 L257 S258	I233-R255 HydrophobicContact CD1-CB 4.44Å; L237-R255 HydrophobicContact CD1-CB 4.49Å; R251-R255 WeakPolarHBondContact O-CB 3.42Å; R251-R255 PolarHBondContact O-N 2.85Å; R253-R255 VanDerWaalsContact C-N 3.28Å; R253-R255 PolarHBondContact O-N 2.89Å; R255-L257 VanDerWaalsContact C-N 3.34Å; R255-L257 PolarHBondContact O-N 3.47Å; R255-S258 WeakPolarHBondContact O-CB 3.42Å; R255-S258 PolarHBondContact O-N 3.41Å; R255-S258 PolarHBondContact O-OG 2.98Å
256	R	94.1	Very high	94.7	Very high	86 Å²	86	42.5 Å²	42.5	33%	0.325	20%	0.201	S	C	.	.	H	α-helix	trans	-60.7	-41.9	-179.3	-173.9	-179.9	70.3	-111	-3.6	112.2	R252 R253 I254 E440	R252-R256 WeakPolarHBondContact O-CB 3.48Å; R252-R256 PolarHBondContact O-N 3.41Å; R253-R256 PolarHBondContact O-N 3.3Å; R253-R256 VanDerWaalsContact O-N 3.1Å; I254-R256 PolarHBondContact O-N 2.94Å; R256-E440 IonicContact NE-OE2 3.35Å; R256-E440 PolarHBondContact NE-OE2 3.4Å
257	L	95.4	Very high	95.1	Very high	1 Å²	1	46.4 Å²	46.4	1%	0.005	22%	0.216	C	C	.	.	H	α-helix	trans	-89.4	-0.2	-176.7	-62.5	178.3	0	0	0	113.9	R253 I254 R255 A259 Q260 W261 V438 E440	R253-L257 HydrophobicContact CG-CD1 4.35Å; R253-L257 PolarHBondContact O-N 2.92Å; R253-L257 VanDerWaalsContact O-N 3.09Å; I254-L257 PolarHBondContact O-N 3.46Å; R255-L257 VanDerWaalsContact C-N 3.34Å; R255-L257 PolarHBondContact O-N 3.47Å; L257-A259 VanDerWaalsContact C-N 3.33Å; L257-A259 PolarHBondContact O-N 2.95Å; L257-Q260 PolarHBondContact O-N 2.99Å; L257-W261 VanDerWaalsContact O-CD1 3.27Å; L257-W261 PolarHBondContact O-N 2.74Å; L257-V438 HydrophobicContact CD1-CG1 4.35Å; L257-E440 HydrophobicContact CD2-CB 4.33Å; L257-E440 HydrophobicContact CD2-CG 4.16Å
258	S	96.3	Very high	95.3	Very high	37 Å²	37	46 Å²	46	26%	0.259	21%	0.214	S	C	.	.	H	α-helix	trans	-49.3	-46.6	-174.6	56.8	0	0	0	0	114.5	I254 R255 Q260 W261 A262	I254-S258 PolarHBondContact O-N 2.98Å; I254-S258 VanDerWaalsContact O-N 3.12Å; R255-S258 WeakPolarHBondContact O-CB 3.42Å; R255-S258 PolarHBondContact O-N 3.41Å; R255-S258 PolarHBondContact O-OG 2.98Å; S258-Q260 PolarHBondContact O-N 3.42Å; S258-W261 PolarHBondContact O-N 2.71Å; S258-A262 WeakPolarHBondContact O-CB 3.38Å; S258-A262 PolarHBondContact O-N 2.95Å
259	A	95.6	Very high	95.5	Very high	73 Å²	73	47.5 Å²	47.5	60%	0.603	22%	0.22	S	C	*	.	H	α-helix	trans	-66.6	-36.2	179.2	0	0	0	0	0	112.7	L257 S263	L257-A259 VanDerWaalsContact C-N 3.33Å; L257-A259 PolarHBondContact O-N 2.95Å; A259-S263 WeakPolarHBondContact O-CB 3.46Å; A259-S263 PolarHBondContact O-N 3.47Å
260	Q	96.1	Very high	95.6	Very high	44 Å²	44	52.7 Å²	52.7	21%	0.206	25%	0.245	C	C	.	.	H	α-helix	trans	-68.8	-43.9	177.6	-61.6	-171.6	14	0	0	110.6	L257 S258 S263 A264 E441	L257-Q260 PolarHBondContact O-N 2.99Å; S258-Q260 PolarHBondContact O-N 3.42Å; Q260-S263 PolarHBondContact O-N 3.08Å; Q260-A264 WeakPolarHBondContact O-CB 3.36Å; Q260-A264 PolarHBondContact O-N 3.3Å; Q260-E441 PolarHBondContact NE2-O 3.42Å; Q260-E441 VanDerWaalsContact NE2-O 3.15Å
261	W	98.1	Very high	95.6	Very high	1 Å²	1	56.6 Å²	56.6	0%	0.004	26%	0.262	C	S	.	.	H	α-helix	trans	-59.6	-46.7	173.9	-77.7	111.3	0	0	0	112.8	L257 S258 S263 A264 A265 D315 T318 A319 V322 V438 C623 M626 L627	L257-W261 VanDerWaalsContact O-CD1 3.27Å; L257-W261 PolarHBondContact O-N 2.74Å; S258-W261 PolarHBondContact O-N 2.71Å; W261-S263 VanDerWaalsContact C-N 3.32Å; W261-S263 PolarHBondContact O-N 3.23Å; W261-A264 PolarHBondContact O-N 3.33Å; W261-A265 WeakPolarHBondContact O-CB 3.32Å; W261-A265 PolarHBondContact O-N 3.23Å; W261-D315 HydrophobicContact CZ2-CB 4.11Å; W261-T318 HydrophobicContact CB-CG2 4.28Å; W261-T318 VanDerWaalsContact CD1-CG2 3.48Å; W261-T318 HydrophobicContact CD2-CG2 3.67Å; W261-T318 HydrophobicContact CE3-CG2 4.41Å; W261-T318 HydrophobicContact CG-CG2 3.57Å; W261-T318 HydrophobicContact CZ2-CG2 4.37Å; W261-A319 HydrophobicContact CH2-CB 3.96Å; W261-A319 HydrophobicContact CZ3-CB 4.01Å; W261-V322 HydrophobicContact CB-CG2 4.19Å; W261-V438 HydrophobicContact CH2-CG2 3.62Å; W261-V438 HydrophobicContact CZ2-CB 4.29Å; W261-V438 HydrophobicContact CZ2-CG2 3.52Å; W261-C623 HydrophobicContact CD2-CB 4.08Å; W261-C623 HydrophobicContact CE3-CB 3.94Å; W261-C623 HydrophobicContact CZ3-CB 4.31Å; W261-M626 HydrophobicContact CH2-CB 4.2Å; W261-M626 HydrophobicContact CH2-CG 4.17Å; W261-M626 HydrophobicContact CH2-SD 3.91Å; W261-L627 HydrophobicContact CE3-CD1 4.21Å; W261-L627 HydrophobicContact CE3-CD2 3.81Å; W261-L627 HydrophobicContact CE3-CG 3.86Å; W261-L627 HydrophobicContact CZ3-CD1 4.45Å; W261-L627 HydrophobicContact CZ3-CD2 3.55Å; W261-L627 HydrophobicContact CZ3-CG 3.62Å
262	A	96.9	Very high	95.4	Very high	24 Å²	24	55.6 Å²	55.6	20%	0.198	26%	0.259	C	S	.	.	H	α-helix	trans	-63.3	-38.1	177.8	0	0	0	0	0	112.3	S258 R266	S258-A262 WeakPolarHBondContact O-CB 3.38Å; S258-A262 PolarHBondContact O-N 2.95Å; A262-R266 PolarHBondContact O-N 2.77Å
263	S	96.4	Very high	95.2	Very high	37 Å²	37	59.4 Å²	59.4	26%	0.259	27%	0.274	S	S	.	.	H	α-helix	trans	-67.1	-44.5	175.6	-165.4	0	0	0	0	111.8	A259 Q260 W261 A265 R266 R267	A259-S263 WeakPolarHBondContact O-CB 3.46Å; A259-S263 PolarHBondContact O-N 3.47Å; Q260-S263 PolarHBondContact O-N 3.08Å; W261-S263 VanDerWaalsContact C-N 3.32Å; W261-S263 PolarHBondContact O-N 3.23Å; S263-A265 VanDerWaalsContact C-N 3.34Å; S263-A265 PolarHBondContact O-N 3.12Å; S263-R266 PolarHBondContact O-N 2.94Å; S263-R267 PolarHBondContact O-N 3Å; S263-R267 PolarHBondContact OG-NH1 3.04Å
264	A	97.3	Very high	94.4	Very high	0 Å²	0	63.1 Å²	63.1	0%	0	30%	0.301	C	S	.	.	H	α-helix	trans	-62.4	-39.1	176.4	0	0	0	0	0	112.8	Q260 W261 R266 R267 L268 C623 E624 L627	Q260-A264 WeakPolarHBondContact O-CB 3.36Å; Q260-A264 PolarHBondContact O-N 3.3Å; W261-A264 PolarHBondContact O-N 3.33Å; A264-R266 VanDerWaalsContact C-N 3.34Å; A264-R266 PolarHBondContact O-N 2.91Å; A264-R267 PolarHBondContact O-N 3.41Å; A264-L268 PolarHBondContact O-N 2.82Å; A264-C623 HydrophobicContact CB-CB 3.5Å; A264-E624 HydrophobicContact CB-CB 3.9Å; A264-L627 HydrophobicContact CB-CD1 3.91Å
265	A	96.6	Very high	94	Very high	5 Å²	5	67.9 Å²	67.9	4%	0.041	33%	0.326	C	S	.	.	H	α-helix	trans	-58.6	-45	176.2	0	0	0	0	0	112.1	F229 W261 S263 L268 D269 V322 L627	F229-A265 HydrophobicContact CB-CB 4.43Å; F229-A265 HydrophobicContact CD1-CB 3.91Å; F229-A265 HydrophobicContact CG-CB 4.45Å; W261-A265 WeakPolarHBondContact O-CB 3.32Å; W261-A265 PolarHBondContact O-N 3.23Å; S263-A265 VanDerWaalsContact C-N 3.34Å; S263-A265 PolarHBondContact O-N 3.12Å; A265-L268 PolarHBondContact O-N 2.87Å; A265-D269 WeakPolarHBondContact O-CB 3.46Å; A265-D269 PolarHBondContact O-N 2.02Å; A265-V322 HydrophobicContact CB-CG1 3.53Å; A265-L627 HydrophobicContact CB-CD1 4.18Å
266	R	95.6	Very high	93.6	Very high	165 Å²	165	67 Å²	67	62%	0.623	32%	0.323	S	S	*	.	H	α-helix	trans	-62.5	-45.4	176.8	-68.6	-174.4	-62.6	168.3	3.6	112.1	A262 S263 A264 L268 D269 E270	A262-R266 PolarHBondContact O-N 2.77Å; S263-R266 PolarHBondContact O-N 2.94Å; A264-R266 VanDerWaalsContact C-N 3.34Å; A264-R266 PolarHBondContact O-N 2.91Å; R266-L268 VanDerWaalsContact C-N 3.32Å; R266-L268 PolarHBondContact O-N 2.81Å; R266-D269 PolarHBondContact O-N 3.31Å; R266-E270 WeakPolarHBondContact O-CG 3.47Å; R266-E270 PolarHBondContact O-N 2.81Å
267	R	96.2	Very high	93.6	Very high	81 Å²	81	63.1 Å²	63.1	31%	0.306	31%	0.308	S	S	.	.	H	α-helix	trans	-62.8	-39.9	178.1	-65.5	-169	-55.3	-99.1	10.6	112	S263 A264 K271 E441 E624	S263-R267 PolarHBondContact O-N 3Å; S263-R267 PolarHBondContact OG-NH1 3.04Å; A264-R267 PolarHBondContact O-N 3.41Å; R267-K271 WeakPolarHBondContact O-CB 3.35Å; R267-K271 PolarHBondContact O-N 3.5Å; R267-E441 IonicContact NH2-OE2 3.88Å; R267-E624 IonicContact CZ-OE2 3.66Å; R267-E624 IonicContact NE-OE2 2.89Å; R267-E624 PolarHBondContact NE-OE2 2.82Å; R267-E624 IonicContact NH2-OE2 3.56Å; R267-E624 PolarHBondContact NH2-OE2 3.26Å
268	L	95.8	Very high	93.5	Very high	0 Å²	0	64.8 Å²	64.8	0%	0	32%	0.316	C	S	.	.	H	α-helix	trans	-68	-41.6	175.4	-176.5	61	0	0	0	111.7	F229 A264 A265 R266 E270 K271 L272 L323 L627 E628 H631	F229-L268 HydrophobicContact CE1-CD2 4.1Å; F229-L268 HydrophobicContact CE1-CG 4.45Å; F229-L268 HydrophobicContact CZ-CB 4.39Å; F229-L268 HydrophobicContact CZ-CD2 4.12Å; F229-L268 HydrophobicContact CZ-CG 4.11Å; A264-L268 PolarHBondContact O-N 2.82Å; A265-L268 PolarHBondContact O-N 2.87Å; R266-L268 VanDerWaalsContact C-N 3.32Å; R266-L268 PolarHBondContact O-N 2.81Å; L268-E270 VanDerWaalsContact C-N 3.32Å; L268-E270 PolarHBondContact O-N 3.14Å; L268-K271 HydrophobicContact CD1-CD 4.35Å; L268-K271 WeakPolarHBondContact O-CB 3.35Å; L268-K271 PolarHBondContact O-N 3.02Å; L268-K271 VanDerWaalsContact O-N 3.13Å; L268-L272 HydrophobicContact CD1-CD1 4.14Å; L268-L272 HydrophobicContact CD1-CD2 4.37Å; L268-L272 HydrophobicContact CD1-CG 3.98Å; L268-L272 HydrophobicContact CD2-CD1 4.43Å; L268-L272 HydrophobicContact CG-CD1 3.89Å; L268-L272 HydrophobicContact CG-CG 4.16Å; L268-L272 WeakPolarHBondContact O-CB 3.36Å; L268-L272 VanDerWaalsContact O-CG 3.28Å; L268-L272 WeakPolarHBondContact O-CG 3.48Å; L268-L272 PolarHBondContact O-N 3.26Å; L268-L323 HydrophobicContact CD2-CD2 4.21Å; L268-L627 HydrophobicContact CD2-CB 3.54Å; L268-E628 HydrophobicContact CD1-CB 4.11Å; L268-E628 HydrophobicContact CD1-CG 4.33Å; L268-H631 HydrophobicContact CD2-CB 4.45Å
269	D	94.4	Very high	93.5	Very high	59 Å²	59	65.4 Å²	65.4	32%	0.316	31%	0.314	S	S	.	.	H	α-helix	trans	-59	-43.1	177.1	-167.6	43.2	0	0	0	112.2	F229 A265 R266 L272 R273 S274	F229-D269 HydrophobicContact CD2-CB 3.63Å; F229-D269 WeakPolarHBondContact CD2-OD1 3.44Å; F229-D269 HydrophobicContact CE2-CB 3.53Å; F229-D269 VanDerWaalsContact CE2-OD1 3.25Å; F229-D269 WeakPolarHBondContact CE2-OD1 3.4Å; F229-D269 HydrophobicContact CZ-CB 4.32Å; A265-D269 WeakPolarHBondContact O-CB 3.46Å; A265-D269 PolarHBondContact O-N 2.02Å; R266-D269 PolarHBondContact O-N 3.31Å; D269-L272 PolarHBondContact O-N 3.02Å; D269-R273 PolarHBondContact O-N 3.47Å; D269-R273 VanDerWaalsContact O-N 3.13Å; D269-S274 PolarHBondContact O-N 3.31Å
270	E	94.1	Very high	93.6	Very high	144 Å²	144	64 Å²	64	67%	0.673	30%	0.295	S	S	*	.	H	α-helix	trans	-60.6	-45.1	172.8	-71.9	171.1	-172.4	0	0	111.8	R266 L268 L272 R273	R266-E270 WeakPolarHBondContact O-CG 3.47Å; R266-E270 PolarHBondContact O-N 2.81Å; L268-E270 VanDerWaalsContact C-N 3.32Å; L268-E270 PolarHBondContact O-N 3.14Å; E270-L272 VanDerWaalsContact C-N 3.32Å; E270-L272 PolarHBondContact O-N 3.06Å; E270-R273 PolarHBondContact O-N 3.19Å; E270-R273 VanDerWaalsContact O-N 3.09Å
271	K	93.4	Very high	93.7	Very high	86 Å²	86	65.8 Å²	65.8	37%	0.374	30%	0.3	S	S	.	.	H	α-helix	trans	-62.4	-38.9	178.9	-167	179.9	-158.1	166.8	0	112.4	R267 L268 R273 Y619 E624 E628	R267-K271 WeakPolarHBondContact O-CB 3.35Å; R267-K271 PolarHBondContact O-N 3.5Å; L268-K271 HydrophobicContact CD1-CD 4.35Å; L268-K271 WeakPolarHBondContact O-CB 3.35Å; L268-K271 PolarHBondContact O-N 3.02Å; L268-K271 VanDerWaalsContact O-N 3.13Å; K271-R273 PolarHBondContact O-N 3.29Å; K271-Y619 PolarHBondContact NZ-OH 3.43Å; K271-Y619 VanDerWaalsContact NZ-OH 3.14Å; K271-E624 IonicContact NZ-OE1 3.38Å; K271-E628 VanDerWaalsContact CE-OE2 3.32Å; K271-E628 WeakPolarHBondContact CE-OE2 3.18Å; K271-E628 IonicContact NZ-OE2 2.8Å; K271-E628 PolarHBondContact NZ-OE2 3.16Å
272	L	90.9	Very high	93.7	Very high	24 Å²	24	65.7 Å²	65.7	13%	0.126	30%	0.299	C	S	.	.	T	Hydrogen-bonded Turn	trans	-79.4	-3.9	177.4	-63.7	178.7	0	0	0	113	F229 L268 D269 E270 S274 L275	F229-L272 HydrophobicContact CZ-CD1 4.14Å; L268-L272 HydrophobicContact CD1-CD1 4.14Å; L268-L272 HydrophobicContact CD1-CD2 4.37Å; L268-L272 HydrophobicContact CD1-CG 3.98Å; L268-L272 HydrophobicContact CD2-CD1 4.43Å; L268-L272 HydrophobicContact CG-CD1 3.89Å; L268-L272 HydrophobicContact CG-CG 4.16Å; L268-L272 WeakPolarHBondContact O-CB 3.36Å; L268-L272 VanDerWaalsContact O-CG 3.28Å; L268-L272 WeakPolarHBondContact O-CG 3.48Å; L268-L272 PolarHBondContact O-N 3.26Å; D269-L272 PolarHBondContact O-N 3.02Å; E270-L272 VanDerWaalsContact C-N 3.32Å; E270-L272 PolarHBondContact O-N 3.06Å; L272-S274 PolarHBondContact O-N 2.03Å; L272-L275 VanDerWaalsContact O-CB 3.32Å; L272-L275 WeakPolarHBondContact O-CB 3.29Å; L272-L275 PolarHBondContact O-N 2.73Å
273	R	89.1	Confident	93.8	Very high	225 Å²	225	64.6 Å²	64.6	85%	0.849	29%	0.29	S	S	*	.	T	Hydrogen-bonded Turn	trans	52	39.8	178.7	-56.7	177.4	179.5	-114.3	0.2	112.7	D269 E270 K271 L275	D269-R273 PolarHBondContact O-N 3.47Å; D269-R273 VanDerWaalsContact O-N 3.13Å; E270-R273 PolarHBondContact O-N 3.19Å; E270-R273 VanDerWaalsContact O-N 3.09Å; K271-R273 PolarHBondContact O-N 3.29Å; R273-L275 PolarHBondContact O-N 3.19Å
274	S	78	Confident	93.9	Very high	85 Å²	85	62.8 Å²	62.8	59%	0.594	28%	0.278	S	S	*	.	T	Hydrogen-bonded Turn	trans	56.2	33.5	-178.5	-50	0	0	0	0	114.4	D269 L272 W276	D269-S274 PolarHBondContact O-N 3.31Å; L272-S274 PolarHBondContact O-N 2.03Å; S274-W276 PolarHBondContact O-N 2.69Å
275	L	86.9	Confident	93.9	Very high	100 Å²	100	62.8 Å²	62.8	52%	0.524	28%	0.278	S	S	.	.			trans	-50.2	137.7	172.7	-171.8	119.9	0	0	0	110.8	L272 R273 R277	L272-L275 VanDerWaalsContact O-CB 3.32Å; L272-L275 WeakPolarHBondContact O-CB 3.29Å; L272-L275 PolarHBondContact O-N 2.73Å; R273-L275 PolarHBondContact O-N 3.19Å; L275-R277 HydrophobicContact CD2-CG 4.17Å; L275-R277 PolarHBondContact O-N 3.04Å
276	W	88.6	Confident	93.9	Very high	131 Å²	131	62.6 Å²	62.6	50%	0.496	28%	0.276	S	S	.	.			trans	-68.2	126.9	175.2	-176.5	91.6	0	0	0	110	K224 S274 E278	K224-W276 HydrophobicContact CB-CH2 4.24Å; K224-W276 HydrophobicContact CB-CZ2 4.23Å; K224-W276 HydrophobicContact CD-CH2 4.15Å; S274-W276 PolarHBondContact O-N 2.69Å; W276-E278 HydrophobicContact CH2-CB 3.67Å; W276-E278 HydrophobicContact CH2-CG 4.12Å; W276-E278 HydrophobicContact CZ3-CB 3.89Å
277	R	93.7	Very high	93.8	Very high	4 Å²	4	54.8 Å²	54.8	2%	0.015	25%	0.246	C	C	.	.			trans	-124.8	133.6	-179.1	-60.6	178.3	-59.5	107.6	-7.2	109.1	Q226 A227 F229 L275 L323 H631	Q226-R277 CarbonylContact C-O 3.31Å; Q226-R277 WeakPolarHBondContact CA-O 3.34Å; A227-R277 HydrophobicContact CB-CB 4.13Å; A227-R277 PolarHBondContact N-O 3.5Å; A227-R277 PolarHBondContact O-NH2 2.59Å; F229-R277 VanDerWaalsContact CD2-NH2 3.32Å; F229-R277 VanDerWaalsContact CE2-NH2 3.29Å; L275-R277 HydrophobicContact CD2-CG 4.17Å; L275-R277 PolarHBondContact O-N 3.04Å; R277-L323 PolarHBondContact NH1-O 3.21Å; R277-L323 PolarHBondContact NH2-O 2.71Å; R277-H631 WeakPolarHBondContact CD-CE1 3.41Å
278	E	94.1	Very high	93.6	Very high	35 Å²	35	51.5 Å²	51.5	16%	0.164	23%	0.234	C	C	.	.	B	Isolated β-bridge	trans	-75	129.1	175.6	-171.8	173.8	-158.7	0	0	110.7	K224 W276 K280	K224-E278 HydrophobicContact CB-CG 4.46Å; K224-E278 HydrophobicContact CD-CG 4.46Å; K224-E278 WeakPolarHBondContact CD-OE1 3.28Å; K224-E278 WeakPolarHBondContact CE-OE1 3.2Å; K224-E278 VanDerWaalsContact CG-OE1 3.22Å; K224-E278 WeakPolarHBondContact CG-OE1 3.27Å; K224-E278 IonicContact NZ-OE1 3.17Å; K224-E278 PolarHBondContact NZ-OE1 2.76Å; K224-E278 IonicContact NZ-OE2 3.46Å; K224-E278 PolarHBondContact NZ-OE2 2.92Å; W276-E278 HydrophobicContact CH2-CB 3.67Å; W276-E278 HydrophobicContact CH2-CG 4.12Å; W276-E278 HydrophobicContact CZ3-CB 3.89Å; E278-K280 HydrophobicContact CG-CD 4.49Å; E278-K280 PolarHBondContact O-N 3.13Å; E278-K280 IonicContact OE2-NZ 3.45Å; E278-K280 PolarHBondContact OE2-NZ 3.16Å
279	Q	96.6	Very high	93.4	Very high	50 Å²	50	51.6 Å²	51.6	23%	0.234	24%	0.235	C	C	.	.			trans	-71.6	108.3	169.3	-180	175.7	63.6	0	0	109.6	R225 A227 G324	R225-Q279 HydrophobicContact CB-CB 4.07Å; R225-Q279 WeakPolarHBondContact O-CB 3.16Å; R225-Q279 PolarHBondContact O-N 2.7Å; A227-Q279 HydrophobicContact CB-CB 4.13Å; Q279-G324 WeakPolarHBondContact CG-O 3.31Å; Q279-G324 PolarHBondContact NE2-O 3.07Å
280	K	97.3	Very high	93.2	Very high	44 Å²	44	48.8 Å²	48.8	19%	0.191	22%	0.22	C	C	.	.			trans	-79.8	146.6	169	-55.4	-56.2	-172.6	-177.6	0	112.2	E278 I282 H325 D326 D358 I634	E278-K280 HydrophobicContact CG-CD 4.49Å; E278-K280 PolarHBondContact O-N 3.13Å; E278-K280 IonicContact OE2-NZ 3.45Å; E278-K280 PolarHBondContact OE2-NZ 3.16Å; K280-I282 HydrophobicContact CB-CD1 4.15Å; K280-I282 HydrophobicContact CB-CG1 3.9Å; K280-H325 PolarHBondContact N-ND1 3.1Å; K280-D326 PolarHBondContact O-N 3.16Å; K280-D358 WeakPolarHBondContact CA-OD2 3.22Å; K280-D358 HydrophobicContact CB-CB 4.17Å; K280-D358 HydrophobicContact CD-CB 4Å; K280-I634 HydrophobicContact CG-CG2 3.88Å
281	R	97.6	Very high	92.9	Very high	81 Å²	81	49 Å²	49	31%	0.306	22%	0.221	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.5	118.8	164.2	-66.7	177.4	-66.8	166.4	5.2	108.7	D326 P356 F357 D358 L359	R281-D326 CarbonylContact C-O 3.54Å; R281-D326 WeakPolarHBondContact CA-O 3.4Å; R281-D326 HydrophobicContact CG-CB 4.24Å; R281-P356 PolarHBondContact NE-O 2.86Å; R281-P356 PolarHBondContact NH1-O 3.05Å; R281-P356 VanDerWaalsContact NH1-O 3.16Å; R281-P356 PolarHBondContact NH2-O 3.1Å; R281-F357 HydrophobicContact CB-CD1 4.31Å; R281-D358 PolarHBondContact N-OD2 3.17Å; R281-D358 PolarHBondContact O-N 3.28Å; R281-L359 PolarHBondContact O-N 3.23Å
282	I	98.6	Very high	92.5	Very high	0 Å²	0	50 Å²	50	0%	0	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.6	122.3	-169.2	-53.6	-176.8	0	0	0	109.6	K280 V284 L320 H325 D326 V327 K328 L359 Y361 I634	K280-I282 HydrophobicContact CB-CD1 4.15Å; K280-I282 HydrophobicContact CB-CG1 3.9Å; I282-V284 HydrophobicContact CG2-CG2 4.28Å; I282-L320 HydrophobicContact CD1-CD2 3.85Å; I282-L320 HydrophobicContact CG2-CD1 4.05Å; I282-H325 HydrophobicContact CD1-CB 3.66Å; I282-H325 HydrophobicContact CG1-CB 4.23Å; I282-D326 PolarHBondContact N-O 2.94Å; I282-V327 CarbonylContact O-C 3.46Å; I282-V327 WeakPolarHBondContact O-CA 3.35Å; I282-K328 PolarHBondContact O-N 2.94Å; I282-L359 WeakPolarHBondContact CA-O 3.49Å; I282-L359 HydrophobicContact CD1-CD1 4.39Å; I282-L359 HydrophobicContact CG1-CB 4.3Å; I282-L359 HydrophobicContact CG2-CB 4.26Å; I282-Y361 HydrophobicContact CG2-CD2 3.58Å; I282-Y361 HydrophobicContact CG2-CE2 3.83Å; I282-I634 HydrophobicContact CD1-CD1 4.21Å
283	L	98.6	Very high	92.1	Very high	0 Å²	0	50 Å²	50	0%	0	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.4	131.2	167.8	176.7	63.7	0	0	0	109.2	H285 K328 L336 F339 L340 F357 L359 I360 Y361	L283-H285 HydrophobicContact CG-CB 4.45Å; L283-K328 HydrophobicContact CD1-CB 4.3Å; L283-L336 HydrophobicContact CD2-CD1 3.99Å; L283-F339 HydrophobicContact CD1-CB 4.47Å; L283-F339 HydrophobicContact CD1-CD2 3.87Å; L283-L340 HydrophobicContact CD2-CD2 3.74Å; L283-L340 HydrophobicContact CD2-CG 4.14Å; L283-F357 HydrophobicContact CB-CB 4.34Å; L283-F357 HydrophobicContact CB-CD1 3.83Å; L283-F357 HydrophobicContact CB-CD2 3.72Å; L283-F357 HydrophobicContact CB-CE1 4.02Å; L283-F357 HydrophobicContact CB-CE2 3.9Å; L283-F357 HydrophobicContact CB-CG 3.68Å; L283-F357 HydrophobicContact CB-CZ 4.06Å; L283-F357 HydrophobicContact CD1-CE2 4.34Å; L283-F357 HydrophobicContact CD1-CZ 4.24Å; L283-F357 HydrophobicContact CD2-CD2 4.08Å; L283-F357 HydrophobicContact CD2-CE2 3.97Å; L283-F357 HydrophobicContact CG-CD2 4.45Å; L283-F357 HydrophobicContact CG-CE2 4.3Å; L283-L359 PolarHBondContact N-O 3.05Å; L283-I360 HydrophobicContact CB-CG1 4.26Å; L283-I360 HydrophobicContact CB-CG2 4.35Å; L283-I360 HydrophobicContact CD2-CG1 4.48Å; L283-I360 HydrophobicContact CD2-CG2 4.13Å; L283-I360 HydrophobicContact CG-CG2 4.31Å; L283-I360 CarbonylContact O-C 3.34Å; L283-I360 VanDerWaalsContact O-CA 3.3Å; L283-I360 WeakPolarHBondContact O-CA 3.39Å; L283-Y361 PolarHBondContact O-N 3.1Å
284	V	98.7	Very high	91.5	Very high	0 Å²	0	41.4 Å²	41.4	0%	0	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.5	108.4	169.4	-178	0	0	0	0	107.7	I282 V286 W313 L317 L320 V327 K328 I329 S330 Y361	I282-V284 HydrophobicContact CG2-CG2 4.28Å; V284-V286 HydrophobicContact CG1-CG2 4.27Å; V284-W313 HydrophobicContact CG1-CE3 3.87Å; V284-W313 HydrophobicContact CG1-CH2 4.42Å; V284-W313 HydrophobicContact CG1-CZ3 3.51Å; V284-L317 HydrophobicContact CB-CD2 3.82Å; V284-L317 HydrophobicContact CG1-CD2 3.64Å; V284-L317 HydrophobicContact CG1-CG 4.38Å; V284-L317 HydrophobicContact CG2-CD2 3.96Å; V284-L320 HydrophobicContact CG2-CD1 3.64Å; V284-V327 HydrophobicContact CG2-CG1 3.95Å; V284-K328 PolarHBondContact N-O 2.93Å; V284-I329 CarbonylContact O-C 3.59Å; V284-I329 WeakPolarHBondContact O-CA 3.42Å; V284-S330 PolarHBondContact O-N 3.37Å; V284-Y361 WeakPolarHBondContact CA-O 3.36Å
285	H	97.9	Very high	91.1	Very high	0 Å²	0	39.3 Å²	39.3	0%	0	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.9	107.9	-179.4	176.5	64.3	0	0	0	110.6	L283 G287 S330 L336 Y361 T362 G366 Q369	L283-H285 HydrophobicContact CG-CB 4.45Å; H285-G287 PolarHBondContact O-N 3.44Å; H285-S330 WeakPolarHBondContact CA-O 3.44Å; H285-S330 PolarHBondContact ND1-O 2.84Å; H285-S330 PolarHBondContact ND1-OG 2.66Å; H285-L336 HydrophobicContact CB-CD1 4.09Å; H285-Y361 PolarHBondContact N-O 2.71Å; H285-T362 VanDerWaalsContact O-CA 3.29Å; H285-T362 WeakPolarHBondContact O-CA 3.34Å; H285-T362 WeakPolarHBondContact O-CB 3.39Å; H285-T362 PolarHBondContact O-OG1 3.21Å; H285-G366 VanDerWaalsContact CD2-CA 3.45Å; H285-G366 WeakPolarHBondContact CD2-CA 3.38Å; H285-Q369 PolarHBondContact CE1-OE1 3.2Å; H285-Q369 PolarHBondContact NE2-OE1 2.91Å
286	V	95.9	Very high	90.1	Very high	1 Å²	1	37.9 Å²	37.9	1%	0.006	19%	0.187	C	C	.	.			trans	-92.3	85.8	-177.3	-168.1	0	0	0	0	109	V284 F288 L289 W313 S330 V331	V284-V286 HydrophobicContact CG1-CG2 4.27Å; V286-F288 HydrophobicContact CG1-CD1 3.83Å; V286-F288 HydrophobicContact CG1-CE1 3.44Å; V286-F288 VanDerWaalsContact CG1-CE1 3.44Å; V286-F288 HydrophobicContact CG1-CZ 4.04Å; V286-F288 PolarHBondContact O-N 3.1Å; V286-L289 HydrophobicContact CB-CD1 4.26Å; V286-L289 HydrophobicContact CB-CG 4.5Å; V286-L289 HydrophobicContact CG1-CB 4.22Å; V286-L289 HydrophobicContact CG1-CD1 3.72Å; V286-L289 HydrophobicContact CG1-CG 3.75Å; V286-L289 PolarHBondContact O-N 2.99Å; V286-W313 HydrophobicContact CG1-CD2 4.28Å; V286-W313 HydrophobicContact CG1-CG 4.2Å; V286-W313 HydrophobicContact CG2-CD2 3.96Å; V286-W313 HydrophobicContact CG2-CE3 4.07Å; V286-W313 HydrophobicContact CG2-CG 4.32Å; V286-W313 HydrophobicContact CG2-CZ3 4.49Å; V286-S330 PolarHBondContact N-O 3.17Å; V286-V331 HydrophobicContact CB-CG1 4.33Å
287	G	94.3	Very high	89	Confident	0 Å²	0	33.8 Å²	33.8	0%	0	17%	0.173	C	C	.	.	G	3₁₀ helix	trans	-63.4	-39.1	-170.7	0	0	0	0	0	113.5	H285 L289 T290 S293 D363	H285-G287 PolarHBondContact O-N 3.44Å; G287-L289 PolarHBondContact O-N 3.03Å; G287-L289 VanDerWaalsContact O-N 3.11Å; G287-T290 VanDerWaalsContact O-CB 3.3Å; G287-T290 WeakPolarHBondContact O-CB 3.26Å; G287-T290 VanDerWaalsContact O-CG2 3.28Å; G287-T290 WeakPolarHBondContact O-CG2 3.39Å; G287-T290 PolarHBondContact O-N 3.46Å; G287-T290 PolarHBondContact O-OG1 3.43Å; G287-S293 PolarHBondContact O-OG 3.27Å; G287-S293 VanDerWaalsContact O-OG 3.06Å; G287-D363 WeakPolarHBondContact CA-OD1 3.4Å; G287-D363 PolarHBondContact N-OD1 3.15Å; G287-D363 PolarHBondContact N-OD2 3.32Å
288	F	90.9	Very high	87.8	Confident	13 Å²	13	34 Å²	34	6%	0.057	18%	0.175	C	C	.	.	G	3₁₀ helix	trans	-67.2	-16.6	-178.3	80.8	-96.9	0	0	0	113.4	V286 T290 F297 E309 M310 W313 D363	V286-F288 HydrophobicContact CG1-CD1 3.83Å; V286-F288 HydrophobicContact CG1-CE1 3.44Å; V286-F288 VanDerWaalsContact CG1-CE1 3.44Å; V286-F288 HydrophobicContact CG1-CZ 4.04Å; V286-F288 PolarHBondContact O-N 3.1Å; F288-T290 VanDerWaalsContact C-N 3.35Å; F288-F297 HydrophobicContact CB-CE2 4.36Å; F288-F297 HydrophobicContact CD2-CB 4.15Å; F288-F297 AromaticContact CD2-CD2 3.38Å; F288-F297 HydrophobicContact CD2-CD2 3.38Å; F288-F297 AromaticContact CD2-CE2 3.84Å; F288-F297 HydrophobicContact CD2-CE2 3.84Å; F288-F297 AromaticContact CD2-CG 3.8Å; F288-F297 HydrophobicContact CD2-CG 3.8Å; F288-F297 HydrophobicContact CE2-CB 3.98Å; F288-F297 HydrophobicContact CE2-CD1 4.47Å; F288-F297 AromaticContact CE2-CD2 3.98Å; F288-F297 HydrophobicContact CE2-CD2 3.98Å; F288-F297 AromaticContact CE2-CG 3.89Å; F288-F297 HydrophobicContact CE2-CG 3.89Å; F288-F297 HydrophobicContact CG-CD2 4.3Å; F288-F297 HydrophobicContact CG-CE2 4.36Å; F288-E309 HydrophobicContact CE1-CB 4.44Å; F288-M310 HydrophobicContact CE2-CE 3.82Å; F288-M310 HydrophobicContact CE2-SD 4.39Å; F288-M310 HydrophobicContact CZ-CE 3.65Å; F288-M310 HydrophobicContact CZ-CG 4.32Å; F288-M310 HydrophobicContact CZ-SD 4.44Å; F288-W313 AromaticContact CE1-CD1 3.55Å; F288-W313 AromaticContact CE1-NE1 3.52Å; F288-D363 WeakPolarHBondContact CD1-OD2 3.42Å; F288-D363 PolarHBondContact N-OD2 3.24Å
289	L	91	Very high	86.7	Confident	1 Å²	1	36.4 Å²	36.4	1%	0.005	19%	0.194	C	C	.	.	G	3₁₀ helix	trans	-87.2	-2.5	175	-67.8	-176.5	0	0	0	113.3	K244 L247 M250 V286 G287	K244-L289 PolarHBondContact NZ-O 3.44Å; L247-L289 HydrophobicContact CD2-CD1 4.16Å; M250-L289 HydrophobicContact CE-CD1 3.94Å; V286-L289 HydrophobicContact CB-CD1 4.26Å; V286-L289 HydrophobicContact CB-CG 4.5Å; V286-L289 HydrophobicContact CG1-CB 4.22Å; V286-L289 HydrophobicContact CG1-CD1 3.72Å; V286-L289 HydrophobicContact CG1-CG 3.75Å; V286-L289 PolarHBondContact O-N 2.99Å; G287-L289 PolarHBondContact O-N 3.03Å; G287-L289 VanDerWaalsContact O-N 3.11Å
290	T	91.4	Very high	85.6	Confident	0 Å²	0	38.9 Å²	38.9	0%	0	20%	0.204	C	C	.	.	S	Bend	trans	-71.1	154.5	176.3	60.8	0	0	0	0	111.7	G287 F288 E292 S293 D295 V331 Q369	G287-T290 VanDerWaalsContact O-CB 3.3Å; G287-T290 WeakPolarHBondContact O-CB 3.26Å; G287-T290 VanDerWaalsContact O-CG2 3.28Å; G287-T290 WeakPolarHBondContact O-CG2 3.39Å; G287-T290 PolarHBondContact O-N 3.46Å; G287-T290 PolarHBondContact O-OG1 3.43Å; F288-T290 VanDerWaalsContact C-N 3.35Å; T290-E292 VanDerWaalsContact C-N 3.26Å; T290-E292 WeakPolarHBondContact CB-OE2 3.42Å; T290-E292 PolarHBondContact O-N 2.91Å; T290-S293 PolarHBondContact O-N 2.94Å; T290-S293 WeakPolarHBondContact OG1-CB 3.4Å; T290-S293 PolarHBondContact OG1-N 3.23Å; T290-S293 PolarHBondContact OG1-OG 3.37Å; T290-D295 PolarHBondContact O-N 2.83Å; T290-V331 WeakPolarHBondContact CA-O 3.41Å; T290-Q369 PolarHBondContact OG1-NE2 3.24Å
291	E	87.1	Confident	84.6	Confident	148 Å²	148	37.6 Å²	37.6	69%	0.692	20%	0.2	S	C	*	.	G	3₁₀ helix	trans	-66.1	-34.3	176.5	-66.9	-178.2	-178.5	0	0	111.1	S293 G294	E291-S293 PolarHBondContact O-N 3.34Å; E291-G294 WeakPolarHBondContact O-CA 3.46Å; E291-G294 PolarHBondContact O-N 3Å
292	E	85.6	Confident	83.3	Confident	109 Å²	109	38.8 Å²	38.8	51%	0.509	21%	0.212	S	C	.	.	G	3₁₀ helix	trans	-68.4	-21	-180	-60.1	88	165.9	0	0	112.8	T290 L333	T290-E292 VanDerWaalsContact C-N 3.26Å; T290-E292 WeakPolarHBondContact CB-OE2 3.42Å; T290-E292 PolarHBondContact O-N 2.91Å; E292-L333 HydrophobicContact CB-CD1 4.2Å; E292-L333 VanDerWaalsContact CD-CD1 3.43Å; E292-L333 VanDerWaalsContact CD-CG 3.44Å; E292-L333 HydrophobicContact CG-CD1 3.51Å; E292-L333 HydrophobicContact CG-CG 4.06Å; E292-L333 WeakPolarHBondContact OE1-CB 3.12Å; E292-L333 VanDerWaalsContact OE1-CD1 3.31Å; E292-L333 WeakPolarHBondContact OE1-CD1 3.37Å; E292-L333 WeakPolarHBondContact OE1-CG 3.08Å
293	S	82.5	Confident	82.1	Confident	24 Å²	24	43.4 Å²	43.4	17%	0.168	23%	0.232	C	C	.	.	G	3₁₀ helix	trans	-86.2	5.8	170.1	-59.1	0	0	0	0	112.9	G287 T290 E291 H365 Q369	G287-S293 PolarHBondContact O-OG 3.27Å; G287-S293 VanDerWaalsContact O-OG 3.06Å; T290-S293 PolarHBondContact O-N 2.94Å; T290-S293 WeakPolarHBondContact OG1-CB 3.4Å; T290-S293 PolarHBondContact OG1-N 3.23Å; T290-S293 PolarHBondContact OG1-OG 3.37Å; E291-S293 PolarHBondContact O-N 3.34Å; S293-H365 PolarHBondContact OG-ND1 2.87Å; S293-Q369 PolarHBondContact OG-NE2 3.47Å
294	G	75.3	Confident	80.5	Confident	44 Å²	44	44 Å²	44	45%	0.454	24%	0.239	S	C	.	.	T	Hydrogen-bonded Turn	trans	83	7.5	177.6	0	0	0	0	0	114.9	E291 V296	E291-G294 WeakPolarHBondContact O-CA 3.46Å; E291-G294 PolarHBondContact O-N 3Å; G294-V296 PolarHBondContact O-N 3.47Å
295	D	69.7	Low	79.1	Confident	40 Å²	40	45.1 Å²	45.1	21%	0.214	25%	0.249	C	C	.	.	T	Hydrogen-bonded Turn	trans	41.2	39.7	-176.1	-162.9	14.7	0	0	0	113.4	K244 T290 F297 S298 P299	K244-D295 IonicContact NZ-OD2 3.53Å; T290-D295 PolarHBondContact O-N 2.83Å; D295-F297 PolarHBondContact O-N 2.77Å; D295-S298 PolarHBondContact O-N 2.96Å; D295-S298 WeakPolarHBondContact OD1-CB 3.05Å; D295-S298 PolarHBondContact OD1-OG 3.22Å; D295-S298 PolarHBondContact OD2-OG 3.14Å; D295-P299 WeakPolarHBondContact O-CD 3.06Å
296	V	65.9	Low	77.6	Confident	70 Å²	70	48.2 Å²	48.2	42%	0.424	27%	0.269	S	S	.	.			trans	-62.6	-22.6	-166.5	179.7	0	0	0	0	112.5	G294 K300	G294-V296 PolarHBondContact O-N 3.47Å; V296-K300 WeakPolarHBondContact O-CD 3.5Å; V296-K300 WeakPolarHBondContact O-CG 3.27Å
297	F	66.1	Low	76.9	Confident	46 Å²	46	49.7 Å²	49.7	20%	0.202	28%	0.277	C	S	.	.	S	Bend	trans	-92.5	-36.5	-173.2	-69.5	-94	0	0	0	113.4	F288 D295 K300 V301 P306 M310	F288-F297 HydrophobicContact CB-CE2 4.36Å; F288-F297 HydrophobicContact CD2-CB 4.15Å; F288-F297 AromaticContact CD2-CD2 3.38Å; F288-F297 HydrophobicContact CD2-CD2 3.38Å; F288-F297 AromaticContact CD2-CE2 3.84Å; F288-F297 HydrophobicContact CD2-CE2 3.84Å; F288-F297 AromaticContact CD2-CG 3.8Å; F288-F297 HydrophobicContact CD2-CG 3.8Å; F288-F297 HydrophobicContact CE2-CB 3.98Å; F288-F297 HydrophobicContact CE2-CD1 4.47Å; F288-F297 AromaticContact CE2-CD2 3.98Å; F288-F297 HydrophobicContact CE2-CD2 3.98Å; F288-F297 AromaticContact CE2-CG 3.89Å; F288-F297 HydrophobicContact CE2-CG 3.89Å; F288-F297 HydrophobicContact CG-CD2 4.3Å; F288-F297 HydrophobicContact CG-CE2 4.36Å; D295-F297 PolarHBondContact O-N 2.77Å; F297-K300 WeakPolarHBondContact O-CA 3.38Å; F297-K300 PolarHBondContact O-N 3.22Å; F297-V301 WeakPolarHBondContact O-CG2 3.5Å; F297-V301 PolarHBondContact O-N 3.43Å; F297-V301 VanDerWaalsContact O-N 3.07Å; F297-P306 HydrophobicContact CD1-CG 3.95Å; F297-P306 HydrophobicContact CE1-CG 3.68Å; F297-M310 HydrophobicContact CD1-CE 4.19Å
298	S	68.6	Low	76.5	Confident	8 Å²	8	50.2 Å²	50.2	6%	0.056	28%	0.283	C	S	.	.	H	α-helix	trans	-58.4	-43	-175.5	-60.9	0	0	0	0	113.2	S246 D295 K300 V301	S246-S298 PolarHBondContact OG-OG 3.32Å; D295-S298 PolarHBondContact O-N 2.96Å; D295-S298 WeakPolarHBondContact OD1-CB 3.05Å; D295-S298 PolarHBondContact OD1-OG 3.22Å; D295-S298 PolarHBondContact OD2-OG 3.14Å; S298-K300 VanDerWaalsContact C-N 3.28Å; S298-K300 PolarHBondContact O-N 3.33Å; S298-V301 PolarHBondContact O-N 3.35Å
299	P	70.6	Confident	76.5	Confident	86 Å²	86	52 Å²	52	56%	0.558	29%	0.292	S	S	*	.	H	α-helix	trans	-66.9	-26.7	174.5	-21.3	33.7	0	0	0	113.9	D295	D295-P299 WeakPolarHBondContact O-CD 3.06Å
300	K	74.1	Confident	76.5	Confident	101 Å²	101	52 Å²	52	44%	0.439	29%	0.292	S	S	.	.	H	α-helix	trans	-82	-22.7	-178	-65.8	-177.1	-177.6	179.4	0	112.8	V296 F297 S298 L302 K303 G304 G305	V296-K300 WeakPolarHBondContact O-CD 3.5Å; V296-K300 WeakPolarHBondContact O-CG 3.27Å; F297-K300 WeakPolarHBondContact O-CA 3.38Å; F297-K300 PolarHBondContact O-N 3.22Å; S298-K300 VanDerWaalsContact C-N 3.28Å; S298-K300 PolarHBondContact O-N 3.33Å; K300-L302 VanDerWaalsContact C-N 3.27Å; K300-L302 PolarHBondContact O-N 3.23Å; K300-K303 CarbonylContact O-C 3.49Å; K300-K303 WeakPolarHBondContact O-CA 3.45Å; K300-K303 PolarHBondContact O-N 3.14Å; K300-G304 PolarHBondContact O-N 3.22Å; K300-G305 WeakPolarHBondContact O-CA 3.34Å; K300-G305 PolarHBondContact O-N 3.43Å
301	V	75.6	Confident	76.6	Confident	17 Å²	17	52.3 Å²	52.3	10%	0.103	29%	0.293	C	S	.	.	H	α-helix	trans	-54	-44.9	176.9	169.1	0	0	0	0	111.1	F249 F297 S298 K303 G304 L307	F249-V301 HydrophobicContact CB-CG1 4.3Å; F297-V301 WeakPolarHBondContact O-CG2 3.5Å; F297-V301 PolarHBondContact O-N 3.43Å; F297-V301 VanDerWaalsContact O-N 3.07Å; S298-V301 PolarHBondContact O-N 3.35Å; V301-K303 PolarHBondContact O-N 3.36Å; V301-G304 PolarHBondContact O-N 3.17Å; V301-L307 HydrophobicContact CB-CD2 4.13Å; V301-L307 HydrophobicContact CG1-CD2 3.98Å; V301-L307 HydrophobicContact CG2-CD2 3.77Å
302	L	71.1	Confident	77.1	Confident	107 Å²	107	45.3 Å²	45.3	56%	0.56	26%	0.26	S	S	*	.	T	Hydrogen-bonded Turn	trans	-72	-14.7	179.3	-62.8	179.7	0	0	0	114	E245 K300 L510	E245-L302 HydrophobicContact CG-CD1 4.09Å; E245-L302 HydrophobicContact CG-CD2 4.32Å; E245-L302 HydrophobicContact CG-CG 4.2Å; K300-L302 VanDerWaalsContact C-N 3.27Å; K300-L302 PolarHBondContact O-N 3.23Å; L302-L510 VanDerWaalsContact O-CD1 3.32Å; L302-L510 WeakPolarHBondContact O-CD1 3.35Å
303	K	72.3	Confident	77.6	Confident	96 Å²	96	40.2 Å²	40.2	42%	0.417	24%	0.237	S	C	.	.	T	Hydrogen-bonded Turn	trans	-107.1	16.1	179.8	-56.9	-163.2	176.5	-157.9	0	112.9	K300 V301 Y492 E494 L510	K300-K303 CarbonylContact O-C 3.49Å; K300-K303 WeakPolarHBondContact O-CA 3.45Å; K300-K303 PolarHBondContact O-N 3.14Å; V301-K303 PolarHBondContact O-N 3.36Å; K303-Y492 HydrophobicContact CB-CD1 4.16Å; K303-Y492 HydrophobicContact CB-CD2 4.32Å; K303-Y492 HydrophobicContact CB-CE1 4.08Å; K303-Y492 HydrophobicContact CB-CE2 4.23Å; K303-Y492 HydrophobicContact CB-CG 4.26Å; K303-Y492 HydrophobicContact CD-CE1 3.78Å; K303-Y492 WeakPolarHBondContact CE-OH 3.38Å; K303-Y492 HydrophobicContact CG-CE1 3.95Å; K303-Y492 HydrophobicContact CG-CE2 4.02Å; K303-E494 IonicContact NZ-OE1 2.7Å; K303-E494 PolarHBondContact NZ-OE1 3.33Å; K303-E494 VanDerWaalsContact NZ-OE1 3.09Å; K303-L510 VanDerWaalsContact C-CD1 3.43Å
304	G	65.6	Low	78.3	Confident	14 Å²	14	39.1 Å²	39.1	14%	0.144	23%	0.229	C	C	.	.	T	Hydrogen-bonded Turn	trans	75.4	26.1	177.2	0	0	0	0	0	113.5	K300 V301 L510	K300-G304 PolarHBondContact O-N 3.22Å; V301-G304 PolarHBondContact O-N 3.17Å; G304-L510 VanDerWaalsContact N-CD1 3.26Å
305	G	69.1	Low	79.4	Confident	22 Å²	22	37 Å²	37	23%	0.227	21%	0.207	C	C	.	.			trans	-60.2	-177.7	178.8	0	0	0	0	0	114.6	K300 L307	K300-G305 WeakPolarHBondContact O-CA 3.34Å; K300-G305 PolarHBondContact O-N 3.43Å; G305-L307 WeakPolarHBondContact O-CG 2.99Å; G305-L307 PolarHBondContact O-N 3.14Å
306	P	66.1	Low	80.8	Confident	65 Å²	65	35.2 Å²	35.2	42%	0.422	20%	0.197	S	C	.	.			trans	-64.1	110.5	176.9	27.4	-33.3	0	0	0	109.5	F297 M310	F297-P306 HydrophobicContact CD1-CG 3.95Å; F297-P306 HydrophobicContact CE1-CG 3.68Å; P306-M310 WeakPolarHBondContact O-CE 2.97Å
307	L	81.8	Confident	82.4	Confident	32 Å²	32	31.9 Å²	31.9	17%	0.168	18%	0.177	C	C	.	.			trans	-105.4	0.4	-179.7	-64.5	175.3	0	0	0	112.5	F249 V301 G305 M310 V311	F249-L307 HydrophobicContact CE2-CD1 3.93Å; F249-L307 HydrophobicContact CZ-CB 4.29Å; F249-L307 HydrophobicContact CZ-CD1 4.22Å; V301-L307 HydrophobicContact CB-CD2 4.13Å; V301-L307 HydrophobicContact CG1-CD2 3.98Å; V301-L307 HydrophobicContact CG2-CD2 3.77Å; G305-L307 WeakPolarHBondContact O-CG 2.99Å; G305-L307 PolarHBondContact O-N 3.14Å; L307-M310 HydrophobicContact CD2-SD 4.26Å; L307-M310 PolarHBondContact O-N 2.87Å; L307-V311 WeakPolarHBondContact O-CG2 3.28Å; L307-V311 PolarHBondContact O-N 3.42Å
308	G	86.9	Confident	83.9	Confident	12 Å²	12	29.7 Å²	29.7	12%	0.124	17%	0.168	C	C	.	.	H	α-helix	trans	-61.7	-47.6	-174	0	0	0	0	0	111.7	M310 V311 Q312 M425	G308-M310 VanDerWaalsContact C-N 3.28Å; G308-M310 PolarHBondContact O-N 2.94Å; G308-V311 WeakPolarHBondContact O-CB 3.47Å; G308-V311 PolarHBondContact O-N 2.79Å; G308-Q312 PolarHBondContact O-N 3.21Å; G308-M425 WeakPolarHBondContact O-CE 3.49Å
309	E	89.9	Confident	85.3	Confident	51 Å²	51	29.3 Å²	29.3	24%	0.238	17%	0.165	C	C	.	.	H	α-helix	trans	-66.1	-33.1	179.8	-52.1	88.1	154.1	0	0	111	F288 Q312 W313	F288-E309 HydrophobicContact CE1-CB 4.44Å; E309-Q312 PolarHBondContact O-N 3.16Å; E309-W313 WeakPolarHBondContact O-CB 3.25Å; E309-W313 PolarHBondContact O-N 2.91Å
310	M	91.1	Very high	86.7	Confident	1 Å²	1	25.3 Å²	25.3	1%	0.005	14%	0.139	C	C	.	.	H	α-helix	trans	-71.4	-35.5	176.6	-71.2	99.4	-80.1	0	0	111.9	F249 M250 F288 F297 P306 L307 G308 A314	F249-M310 HydrophobicContact CD1-CB 3.88Å; F249-M310 HydrophobicContact CE1-CB 3.88Å; M250-M310 HydrophobicContact CG-CB 4.44Å; F288-M310 HydrophobicContact CE2-CE 3.82Å; F288-M310 HydrophobicContact CE2-SD 4.39Å; F288-M310 HydrophobicContact CZ-CE 3.65Å; F288-M310 HydrophobicContact CZ-CG 4.32Å; F288-M310 HydrophobicContact CZ-SD 4.44Å; F297-M310 HydrophobicContact CD1-CE 4.19Å; P306-M310 WeakPolarHBondContact O-CE 2.97Å; L307-M310 HydrophobicContact CD2-SD 4.26Å; L307-M310 PolarHBondContact O-N 2.87Å; G308-M310 VanDerWaalsContact C-N 3.28Å; G308-M310 PolarHBondContact O-N 2.94Å; M310-A314 WeakPolarHBondContact O-CB 3.45Å; M310-A314 PolarHBondContact O-N 3.03Å; M310-A314 VanDerWaalsContact O-N 3.07Å
311	V	94.3	Very high	87.9	Confident	6 Å²	6	21 Å²	21	4%	0.036	12%	0.121	C	C	.	.	H	α-helix	trans	-60.6	-50.7	170.9	161.5	0	0	0	0	109.8	F249 L307 G308 A314 D315 F437	F249-V311 HydrophobicContact CE1-CG2 4.09Å; F249-V311 HydrophobicContact CZ-CG2 4.02Å; L307-V311 WeakPolarHBondContact O-CG2 3.28Å; L307-V311 PolarHBondContact O-N 3.42Å; G308-V311 WeakPolarHBondContact O-CB 3.47Å; G308-V311 PolarHBondContact O-N 2.79Å; V311-A314 PolarHBondContact O-N 3.23Å; V311-D315 PolarHBondContact O-N 2.71Å; V311-D315 VanDerWaalsContact O-N 3.13Å; V311-F437 HydrophobicContact CG1-CB 4.01Å; V311-F437 HydrophobicContact CG1-CD2 3.93Å; V311-F437 HydrophobicContact CG1-CG 4.17Å
312	Q	96.2	Very high	88.9	Confident	0 Å²	0	20.3 Å²	20.3	0%	0	12%	0.116	C	C	.	.	H	α-helix	trans	-60.9	-47	179.5	175.7	167.8	62.4	0	0	112.3	G308 E309 A314 D315 I316 I388 M425 G436 F437	G308-Q312 PolarHBondContact O-N 3.21Å; E309-Q312 PolarHBondContact O-N 3.16Å; Q312-A314 PolarHBondContact O-N 2.83Å; Q312-D315 PolarHBondContact O-N 2.86Å; Q312-I316 HydrophobicContact CG-CD1 3.63Å; Q312-I316 HydrophobicContact CG-CG1 4.31Å; Q312-I316 VanDerWaalsContact O-CG1 3.25Å; Q312-I316 WeakPolarHBondContact O-CG1 3.28Å; Q312-I316 PolarHBondContact O-N 3.5Å; Q312-I388 HydrophobicContact CG-CG2 4.27Å; Q312-M425 HydrophobicContact CB-CE 3.66Å; Q312-M425 HydrophobicContact CB-SD 3.93Å; Q312-M425 HydrophobicContact CG-CE 4.27Å; Q312-M425 HydrophobicContact CG-SD 4.34Å; Q312-M425 VanDerWaalsContact OE1-CE 3.32Å; Q312-G436 WeakPolarHBondContact CG-O 3.46Å; Q312-G436 PolarHBondContact NE2-O 2.81Å; Q312-F437 HydrophobicContact CB-CB 4.49Å
313	W	97.3	Very high	90.2	Very high	3 Å²	3	15.2 Å²	15.2	1%	0.011	9%	0.09	C	C	.	.	H	α-helix	trans	-63.2	-40.4	178.3	-81.3	115.4	0	0	0	113.5	M250 V284 V286 F288 E309 D315 I316 L317 D363 I388	M250-W313 HydrophobicContact SD-CB 3.91Å; V284-W313 HydrophobicContact CG1-CE3 3.87Å; V284-W313 HydrophobicContact CG1-CH2 4.42Å; V284-W313 HydrophobicContact CG1-CZ3 3.51Å; V286-W313 HydrophobicContact CG1-CD2 4.28Å; V286-W313 HydrophobicContact CG1-CG 4.2Å; V286-W313 HydrophobicContact CG2-CD2 3.96Å; V286-W313 HydrophobicContact CG2-CE3 4.07Å; V286-W313 HydrophobicContact CG2-CG 4.32Å; V286-W313 HydrophobicContact CG2-CZ3 4.49Å; F288-W313 AromaticContact CE1-CD1 3.55Å; F288-W313 AromaticContact CE1-NE1 3.52Å; E309-W313 WeakPolarHBondContact O-CB 3.25Å; E309-W313 PolarHBondContact O-N 2.91Å; W313-D315 VanDerWaalsContact C-N 3.27Å; W313-D315 PolarHBondContact O-N 2.86Å; W313-I316 HydrophobicContact CD2-CD1 4.46Å; W313-I316 HydrophobicContact CE3-CB 4.44Å; W313-I316 HydrophobicContact CE3-CD1 4Å; W313-I316 HydrophobicContact CE3-CG2 4.4Å; W313-I316 HydrophobicContact CZ3-CD1 4.26Å; W313-I316 HydrophobicContact CZ3-CG2 4.39Å; W313-I316 PolarHBondContact O-N 3.25Å; W313-L317 WeakPolarHBondContact O-CB 3.3Å; W313-L317 VanDerWaalsContact O-CG 3.27Å; W313-L317 WeakPolarHBondContact O-CG 3.32Å; W313-L317 PolarHBondContact O-N 2.94Å; W313-D363 HydrophobicContact CZ2-CB 4.16Å; W313-I388 HydrophobicContact CE3-CG1 4.46Å; W313-I388 HydrophobicContact CH2-CB 4.06Å; W313-I388 HydrophobicContact CH2-CG1 3.29Å; W313-I388 HydrophobicContact CZ2-CB 3.69Å; W313-I388 HydrophobicContact CZ2-CG1 3.46Å; W313-I388 VanDerWaalsContact CZ2-CG1 3.46Å; W313-I388 HydrophobicContact CZ2-CG2 4.35Å; W313-I388 HydrophobicContact CZ3-CG1 3.81Å
314	A	97.3	Very high	91.4	Very high	0 Å²	0	10.7 Å²	10.7	0%	0	7%	0.07	C	C	.	.	H	α-helix	trans	-59.8	-41	175.1	0	0	0	0	0	111.7	M250 R253 I254 M310 V311 Q312 T318	M250-A314 HydrophobicContact CB-CB 3.92Å; M250-A314 HydrophobicContact CG-CB 3.93Å; M250-A314 HydrophobicContact SD-CB 4.33Å; R253-A314 HydrophobicContact CG-CB 4.49Å; I254-A314 HydrophobicContact CG1-CB 4.16Å; M310-A314 WeakPolarHBondContact O-CB 3.45Å; M310-A314 PolarHBondContact O-N 3.03Å; M310-A314 VanDerWaalsContact O-N 3.07Å; V311-A314 PolarHBondContact O-N 3.23Å; Q312-A314 PolarHBondContact O-N 2.83Å; A314-T318 WeakPolarHBondContact O-CB 3.39Å; A314-T318 PolarHBondContact O-N 3.29Å; A314-T318 VanDerWaalsContact O-N 3.11Å; A314-T318 PolarHBondContact O-OG1 3.44Å
315	D	98.6	Very high	93	Very high	0 Å²	0	10.5 Å²	10.5	0%	0	7%	0.065	C	C	.	.	H	α-helix	trans	-76.2	-36.3	-177.9	-62	-12.5	0	0	0	111.6	R253 W261 V311 Q312 W313 T318 A319 V438 M626	R253-D315 IonicContact CZ-OD1 2.72Å; R253-D315 IonicContact CZ-OD2 2.92Å; R253-D315 IonicContact NE-OD1 3.35Å; R253-D315 PolarHBondContact NE-OD1 3.38Å; R253-D315 IonicContact NE-OD2 2.81Å; R253-D315 IonicContact NH2-OD1 3.95Å; R253-D315 PolarHBondContact NH2-OD1 3.14Å; R253-D315 VanDerWaalsContact NH2-OD1 3.15Å; R253-D315 IonicContact NH2-OD2 3.55Å; R253-D315 PolarHBondContact NH2-OD2 3.21Å; W261-D315 HydrophobicContact CZ2-CB 4.11Å; V311-D315 PolarHBondContact O-N 2.71Å; V311-D315 VanDerWaalsContact O-N 3.13Å; Q312-D315 PolarHBondContact O-N 2.86Å; W313-D315 VanDerWaalsContact C-N 3.27Å; W313-D315 PolarHBondContact O-N 2.86Å; D315-T318 PolarHBondContact O-N 3.25Å; D315-A319 WeakPolarHBondContact O-CB 3.32Å; D315-A319 PolarHBondContact O-N 2.93Å; D315-V438 PolarHBondContact OD2-N 2.93Å; D315-M626 HydrophobicContact CB-CE 3.97Å; D315-M626 HydrophobicContact CB-SD 3.82Å
316	I	98.7	Very high	94.3	Very high	2 Å²	2	12.4 Å²	12.4	1%	0.01	7%	0.071	C	C	.	.	H	α-helix	trans	-59.5	-52.3	171.8	-70.1	162.6	0	0	0	110.3	Q312 W313 T318 A319 L320 I388 M435 M626	Q312-I316 HydrophobicContact CG-CD1 3.63Å; Q312-I316 HydrophobicContact CG-CG1 4.31Å; Q312-I316 VanDerWaalsContact O-CG1 3.25Å; Q312-I316 WeakPolarHBondContact O-CG1 3.28Å; Q312-I316 PolarHBondContact O-N 3.5Å; W313-I316 HydrophobicContact CD2-CD1 4.46Å; W313-I316 HydrophobicContact CE3-CB 4.44Å; W313-I316 HydrophobicContact CE3-CD1 4Å; W313-I316 HydrophobicContact CE3-CG2 4.4Å; W313-I316 HydrophobicContact CZ3-CD1 4.26Å; W313-I316 HydrophobicContact CZ3-CG2 4.39Å; W313-I316 PolarHBondContact O-N 3.25Å; I316-T318 VanDerWaalsContact C-N 3.25Å; I316-T318 PolarHBondContact O-N 3.02Å; I316-A319 PolarHBondContact O-N 3.45Å; I316-L320 HydrophobicContact CG2-CD1 3.85Å; I316-L320 HydrophobicContact CG2-CG 4.31Å; I316-L320 VanDerWaalsContact O-CG 3.28Å; I316-L320 WeakPolarHBondContact O-CG 3.29Å; I316-L320 PolarHBondContact O-N 3.44Å; I316-I388 HydrophobicContact CD1-CD1 3.55Å; I316-I388 HydrophobicContact CD1-CG1 3.82Å; I316-I388 HydrophobicContact CD1-CG2 4.47Å; I316-M435 HydrophobicContact CD1-CE 4.32Å; I316-M435 HydrophobicContact CD1-CG 3.89Å; I316-M435 HydrophobicContact CD1-SD 4.34Å; I316-M435 HydrophobicContact CG1-CE 4.1Å; I316-M435 HydrophobicContact CG1-CG 3.92Å; I316-M435 HydrophobicContact CG1-SD 3.82Å; I316-M626 HydrophobicContact CG1-CE 3.95Å
317	L	98.6	Very high	95.8	Very high	1 Å²	1	9.5 Å²	9.5	1%	0.005	5%	0.052	C	C	.	.	H	α-helix	trans	-56	-43.6	178.6	-74.9	172.3	0	0	0	111.5	L236 V240 V284 W313 H321 V327 I329	L236-L317 HydrophobicContact CD1-CB 4.38Å; V240-L317 HydrophobicContact CG2-CD1 4.16Å; V284-L317 HydrophobicContact CB-CD2 3.82Å; V284-L317 HydrophobicContact CG1-CD2 3.64Å; V284-L317 HydrophobicContact CG1-CG 4.38Å; V284-L317 HydrophobicContact CG2-CD2 3.96Å; W313-L317 WeakPolarHBondContact O-CB 3.3Å; W313-L317 VanDerWaalsContact O-CG 3.27Å; W313-L317 WeakPolarHBondContact O-CG 3.32Å; W313-L317 PolarHBondContact O-N 2.94Å; L317-H321 WeakPolarHBondContact O-CB 3.47Å; L317-H321 PolarHBondContact O-N 3.4Å; L317-H321 VanDerWaalsContact O-N 3.14Å; L317-V327 HydrophobicContact CD2-CG1 4.32Å; L317-I329 HydrophobicContact CD1-CD1 4.17Å; L317-I329 HydrophobicContact CD2-CD1 3.64Å; L317-I329 HydrophobicContact CD2-CG1 3.7Å; L317-I329 HydrophobicContact CD2-CG2 4.45Å; L317-I329 HydrophobicContact CG-CD1 4.48Å
318	T	98.7	Very high	96.6	Very high	0 Å²	0	11.8 Å²	11.8	0%	0	6%	0.06	C	C	.	.	H	α-helix	trans	-67.7	-44.8	179	-50.8	0	0	0	0	111.7	I254 W261 A314 D315 I316 L320 H321 V322	I254-T318 WeakPolarHBondContact CG1-OG1 3.19Å; W261-T318 HydrophobicContact CB-CG2 4.28Å; W261-T318 VanDerWaalsContact CD1-CG2 3.48Å; W261-T318 HydrophobicContact CD2-CG2 3.67Å; W261-T318 HydrophobicContact CE3-CG2 4.41Å; W261-T318 HydrophobicContact CG-CG2 3.57Å; W261-T318 HydrophobicContact CZ2-CG2 4.37Å; A314-T318 WeakPolarHBondContact O-CB 3.39Å; A314-T318 PolarHBondContact O-N 3.29Å; A314-T318 VanDerWaalsContact O-N 3.11Å; A314-T318 PolarHBondContact O-OG1 3.44Å; D315-T318 PolarHBondContact O-N 3.25Å; I316-T318 VanDerWaalsContact C-N 3.25Å; I316-T318 PolarHBondContact O-N 3.02Å; T318-L320 PolarHBondContact O-N 2.87Å; T318-H321 PolarHBondContact O-N 3.27Å; T318-V322 HydrophobicContact CG2-CG2 3.9Å; T318-V322 VanDerWaalsContact O-CB 3.25Å; T318-V322 WeakPolarHBondContact O-CB 3.4Å; T318-V322 WeakPolarHBondContact O-CG2 3.44Å; T318-V322 PolarHBondContact O-N 3.45Å
319	A	98.8	Very high	97.1	Very high	0 Å²	0	12 Å²	12	0%	0	6%	0.058	C	C	.	.	H	α-helix	trans	-60.4	-47	179	0	0	0	0	0	111.9	W261 D315 I316 H321 V322 L323 M626 L627 V630	W261-A319 HydrophobicContact CH2-CB 3.96Å; W261-A319 HydrophobicContact CZ3-CB 4.01Å; D315-A319 WeakPolarHBondContact O-CB 3.32Å; D315-A319 PolarHBondContact O-N 2.93Å; I316-A319 PolarHBondContact O-N 3.45Å; A319-H321 PolarHBondContact O-N 3.39Å; A319-V322 PolarHBondContact O-N 2.96Å; A319-L323 WeakPolarHBondContact O-CB 3.2Å; A319-L323 WeakPolarHBondContact O-CD1 3.39Å; A319-L323 WeakPolarHBondContact O-CG 3.3Å; A319-L323 PolarHBondContact O-N 2.99Å; A319-M626 HydrophobicContact CB-CE 4.23Å; A319-M626 HydrophobicContact CB-CG 4.48Å; A319-L627 HydrophobicContact CB-CD2 4.18Å; A319-V630 HydrophobicContact CB-CG2 4.36Å
320	L	98.8	Very high	97.4	Very high	1 Å²	1	9.5 Å²	9.5	1%	0.005	5%	0.047	C	C	.	.	H	α-helix	trans	-61.3	-44.2	178.8	-65.1	174.9	0	0	0	112.1	I282 V284 I316 T318 H325 V327 Y361 V630 I634	I282-L320 HydrophobicContact CD1-CD2 3.85Å; I282-L320 HydrophobicContact CG2-CD1 4.05Å; V284-L320 HydrophobicContact CG2-CD1 3.64Å; I316-L320 HydrophobicContact CG2-CD1 3.85Å; I316-L320 HydrophobicContact CG2-CG 4.31Å; I316-L320 VanDerWaalsContact O-CG 3.28Å; I316-L320 WeakPolarHBondContact O-CG 3.29Å; I316-L320 PolarHBondContact O-N 3.44Å; T318-L320 PolarHBondContact O-N 2.87Å; L320-H325 WeakPolarHBondContact O-CB 3.35Å; L320-H325 PolarHBondContact O-N 3.18Å; L320-V327 HydrophobicContact CB-CG2 3.7Å; L320-Y361 HydrophobicContact CD1-CD2 4.04Å; L320-Y361 HydrophobicContact CD1-CE2 4.17Å; L320-Y361 HydrophobicContact CD2-CE2 4.03Å; L320-V630 HydrophobicContact CD2-CG1 3.96Å; L320-I634 HydrophobicContact CD2-CD1 3.51Å
321	H	98.5	Very high	97.5	Very high	12 Å²	12	10.5 Å²	10.5	6%	0.056	5%	0.053	C	C	.	.	H	α-helix	trans	-64.4	-50.5	177.2	179	80.1	0	0	0	111.9	Q230 D232 S235 L236 L317 T318 A319 L323 G324	Q230-H321 WeakPolarHBondContact CB-O 3.41Å; Q230-H321 WeakPolarHBondContact CG-O 3.46Å; D232-H321 PolarHBondContact O-NE2 3.45Å; S235-H321 PolarHBondContact OG-CE1 3.09Å; S235-H321 VanDerWaalsContact OG-CE1 3.29Å; L236-H321 HydrophobicContact CB-CB 4.47Å; L236-H321 HydrophobicContact CD1-CB 4.2Å; L236-H321 HydrophobicContact CD2-CB 3.89Å; L236-H321 HydrophobicContact CG-CB 4.41Å; L317-H321 WeakPolarHBondContact O-CB 3.47Å; L317-H321 PolarHBondContact O-N 3.4Å; L317-H321 VanDerWaalsContact O-N 3.14Å; T318-H321 PolarHBondContact O-N 3.27Å; A319-H321 PolarHBondContact O-N 3.39Å; H321-L323 VanDerWaalsContact C-N 3.27Å; H321-L323 PolarHBondContact O-N 3.48Å; H321-G324 WeakPolarHBondContact O-CA 3.16Å; H321-G324 PolarHBondContact O-N 2.97Å
322	V	98.4	Very high	97.5	Very high	2 Å²	2	11.9 Å²	11.9	1%	0.012	6%	0.063	C	C	.	.	H	α-helix	trans	-62.6	-34.4	-178.7	169.6	0	0	0	0	111.4	F229 Q230 W261 A265 T318 A319 G324 L627	F229-V322 CarbonylContact C-O 3.51Å; F229-V322 VanDerWaalsContact CA-O 3.24Å; F229-V322 WeakPolarHBondContact CA-O 2.96Å; F229-V322 WeakPolarHBondContact CD1-O 3.44Å; Q230-V322 PolarHBondContact N-O 2.95Å; W261-V322 HydrophobicContact CB-CG2 4.19Å; A265-V322 HydrophobicContact CB-CG1 3.53Å; T318-V322 HydrophobicContact CG2-CG2 3.9Å; T318-V322 VanDerWaalsContact O-CB 3.25Å; T318-V322 WeakPolarHBondContact O-CB 3.4Å; T318-V322 WeakPolarHBondContact O-CG2 3.44Å; T318-V322 PolarHBondContact O-N 3.45Å; A319-V322 PolarHBondContact O-N 2.96Å; V322-G324 PolarHBondContact O-N 3.18Å; V322-L627 HydrophobicContact CB-CD2 4.08Å; V322-L627 HydrophobicContact CG1-CD1 3.96Å; V322-L627 HydrophobicContact CG1-CD2 3.8Å
323	L	98.1	Very high	97.3	Very high	0 Å²	0	12.7 Å²	12.7	0%	0	7%	0.067	C	C	.	.	T	Hydrogen-bonded Turn	trans	-66.6	-14	172.8	-74.1	168.5	0	0	0	113.5	F229 L268 R277 A319 H321 L627 V630 H631 I634	F229-L323 HydrophobicContact CE1-CD2 3.8Å; F229-L323 HydrophobicContact CZ-CD2 4.4Å; L268-L323 HydrophobicContact CD2-CD2 4.21Å; R277-L323 PolarHBondContact NH1-O 3.21Å; R277-L323 PolarHBondContact NH2-O 2.71Å; A319-L323 WeakPolarHBondContact O-CB 3.2Å; A319-L323 WeakPolarHBondContact O-CD1 3.39Å; A319-L323 WeakPolarHBondContact O-CG 3.3Å; A319-L323 PolarHBondContact O-N 2.99Å; H321-L323 VanDerWaalsContact C-N 3.27Å; H321-L323 PolarHBondContact O-N 3.48Å; L323-L627 HydrophobicContact CD2-CD2 4.33Å; L323-L627 HydrophobicContact CG-CD2 4.02Å; L323-V630 HydrophobicContact CD1-CB 4.09Å; L323-V630 HydrophobicContact CD1-CG1 3.71Å; L323-H631 HydrophobicContact CD1-CB 4.36Å; L323-H631 HydrophobicContact CD2-CB 3.84Å; L323-I634 HydrophobicContact CD1-CD1 4.31Å
324	G	97.3	Very high	97.1	Very high	1 Å²	1	21.1 Å²	21.1	1%	0.01	10%	0.103	C	C	.	.	T	Hydrogen-bonded Turn	trans	95.4	20.1	175.9	0	0	0	0	0	115.2	V228 Q279 H321 V322	V228-G324 WeakPolarHBondContact O-CA 3.1Å; Q279-G324 WeakPolarHBondContact CG-O 3.31Å; Q279-G324 PolarHBondContact NE2-O 3.07Å; H321-G324 WeakPolarHBondContact O-CA 3.16Å; H321-G324 PolarHBondContact O-N 2.97Å; V322-G324 PolarHBondContact O-N 3.18Å
325	H	98	Very high	97	Very high	9 Å²	9	24.6 Å²	24.6	4%	0.042	12%	0.12	C	C	.	.			trans	-82.1	154.4	177.9	-62.9	-56.1	0	0	0	112.4	K280 I282 L320 V327	K280-H325 PolarHBondContact N-ND1 3.1Å; I282-H325 HydrophobicContact CD1-CB 3.66Å; I282-H325 HydrophobicContact CG1-CB 4.23Å; L320-H325 WeakPolarHBondContact O-CB 3.35Å; L320-H325 PolarHBondContact O-N 3.18Å; H325-V327 HydrophobicContact CB-CG2 4.36Å; H325-V327 PolarHBondContact O-N 2.77Å
326	D	97.1	Very high	96.8	Very high	63 Å²	63	24.7 Å²	24.7	34%	0.337	12%	0.12	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.6	95.9	173.2	178.8	19.7	0	0	0	108.8	K280 R281 I282	K280-D326 PolarHBondContact O-N 3.16Å; R281-D326 CarbonylContact C-O 3.54Å; R281-D326 WeakPolarHBondContact CA-O 3.4Å; R281-D326 HydrophobicContact CG-CB 4.24Å; I282-D326 PolarHBondContact N-O 2.94Å
327	V	97.5	Very high	96.6	Very high	4 Å²	4	27 Å²	27	2%	0.024	13%	0.131	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95	129.2	-174.2	-176.9	0	0	0	0	110.4	Q239 I282 V284 L317 L320 H325 I329	Q239-V327 PolarHBondContact NE2-O 2.78Å; Q239-V327 PolarHBondContact OE1-O 3.19Å; I282-V327 CarbonylContact O-C 3.46Å; I282-V327 WeakPolarHBondContact O-CA 3.35Å; V284-V327 HydrophobicContact CG2-CG1 3.95Å; L317-V327 HydrophobicContact CD2-CG1 4.32Å; L320-V327 HydrophobicContact CB-CG2 3.7Å; H325-V327 HydrophobicContact CB-CG2 4.36Å; H325-V327 PolarHBondContact O-N 2.77Å; V327-I329 HydrophobicContact CG1-CG1 4.16Å
328	K	97.8	Very high	96.4	Very high	80 Å²	80	29.8 Å²	29.8	35%	0.348	16%	0.16	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.1	130.8	166.9	-66.3	-60.9	-179.3	-169.7	0	110.1	I282 L283 V284 F339 F357	I282-K328 PolarHBondContact O-N 2.94Å; L283-K328 HydrophobicContact CD1-CB 4.3Å; V284-K328 PolarHBondContact N-O 2.93Å; K328-F339 HydrophobicContact CB-CD2 4.49Å; K328-F339 HydrophobicContact CB-CE2 4.43Å; K328-F357 HydrophobicContact CB-CE1 3.96Å; K328-F357 HydrophobicContact CB-CZ 4.24Å; K328-F357 HydrophobicContact CG-CE1 3.8Å; K328-F357 HydrophobicContact CG-CZ 4.22Å
329	I	97.6	Very high	96.2	Very high	15 Å²	15	33.3 Å²	33.3	8%	0.077	18%	0.175	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.3	130	-177.4	-50.9	178	0	0	0	108.9	L236 Q239 V240 V284 L317 V327 V331 F339	L236-I329 HydrophobicContact CD1-CD1 3.98Å; Q239-I329 HydrophobicContact CB-CD1 3.93Å; Q239-I329 HydrophobicContact CB-CG1 4.44Å; V240-I329 HydrophobicContact CG2-CD1 3.67Å; V284-I329 CarbonylContact O-C 3.59Å; V284-I329 WeakPolarHBondContact O-CA 3.42Å; L317-I329 HydrophobicContact CD1-CD1 4.17Å; L317-I329 HydrophobicContact CD2-CD1 3.64Å; L317-I329 HydrophobicContact CD2-CG1 3.7Å; L317-I329 HydrophobicContact CD2-CG2 4.45Å; L317-I329 HydrophobicContact CG-CD1 4.48Å; V327-I329 HydrophobicContact CG1-CG1 4.16Å; I329-V331 HydrophobicContact CG2-CG1 4.35Å; I329-F339 WeakPolarHBondContact O-CE2 3.19Å
330	S	96.2	Very high	96	Very high	0 Å²	0	33.5 Å²	33.5	0%	0	18%	0.177	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.4	131.6	174	167.4	0	0	0	0	110.1	V284 H285 V286 S332 L336	V284-S330 PolarHBondContact O-N 3.37Å; H285-S330 WeakPolarHBondContact CA-O 3.44Å; H285-S330 PolarHBondContact ND1-O 2.84Å; H285-S330 PolarHBondContact ND1-OG 2.66Å; V286-S330 PolarHBondContact N-O 3.17Å; S330-S332 PolarHBondContact OG-O 3.48Å; S330-L336 PolarHBondContact OG-N 3.33Å
331	V	94.2	Very high	95.6	Very high	22 Å²	22	34.5 Å²	34.5	13%	0.133	19%	0.187	C	C	.	.			trans	-131	14.7	176.8	-61.2	0	0	0	0	112	L247 V286 T290 I329 E335	L247-V331 HydrophobicContact CD1-CG2 4.4Å; L247-V331 HydrophobicContact CD2-CG1 4.09Å; V286-V331 HydrophobicContact CB-CG1 4.33Å; T290-V331 WeakPolarHBondContact CA-O 3.41Å; I329-V331 HydrophobicContact CG2-CG1 4.35Å; V331-E335 PolarHBondContact N-OE2 3.24Å
332	S	93.1	Very high	95.3	Very high	35 Å²	35	35 Å²	35	25%	0.245	19%	0.191	C	C	.	.	S	Bend	trans	-145.3	152	177.1	66.4	0	0	0	0	110.9	S330 K334 E335 L336	S330-S332 PolarHBondContact OG-O 3.48Å; S332-K334 VanDerWaalsContact C-N 3.25Å; S332-K334 PolarHBondContact O-N 3.44Å; S332-E335 PolarHBondContact N-OE2 3.08Å; S332-E335 PolarHBondContact O-N 2.85Å; S332-E335 VanDerWaalsContact OG-CD 3.27Å; S332-E335 VanDerWaalsContact OG-CG 3.26Å; S332-E335 WeakPolarHBondContact OG-CG 3.14Å; S332-E335 PolarHBondContact OG-N 3.33Å; S332-E335 PolarHBondContact OG-OE2 3.45Å; S332-L336 PolarHBondContact O-N 2.99Å
333	L	92.8	Very high	95	Very high	16 Å²	16	35.2 Å²	35.2	8%	0.084	19%	0.192	C	C	.	.	H	α-helix	trans	-61.5	-35.1	175.2	-73.2	-172	0	0	0	112.6	E292 E335 L336 H337 Q369	E292-L333 HydrophobicContact CB-CD1 4.2Å; E292-L333 VanDerWaalsContact CD-CD1 3.43Å; E292-L333 VanDerWaalsContact CD-CG 3.44Å; E292-L333 HydrophobicContact CG-CD1 3.51Å; E292-L333 HydrophobicContact CG-CG 4.06Å; E292-L333 WeakPolarHBondContact OE1-CB 3.12Å; E292-L333 VanDerWaalsContact OE1-CD1 3.31Å; E292-L333 WeakPolarHBondContact OE1-CD1 3.37Å; E292-L333 WeakPolarHBondContact OE1-CG 3.08Å; L333-E335 VanDerWaalsContact C-N 3.35Å; L333-E335 PolarHBondContact O-N 2.89Å; L333-L336 HydrophobicContact CD2-CD2 4.09Å; L333-L336 PolarHBondContact O-N 3.48Å; L333-H337 WeakPolarHBondContact O-CB 3.21Å; L333-H337 PolarHBondContact O-CD2 3.4Å; L333-H337 PolarHBondContact O-N 2.87Å; L333-H337 PolarHBondContact O-ND1 3.31Å; L333-Q369 HydrophobicContact CD2-CB 3.68Å; L333-Q369 HydrophobicContact CD2-CG 3.7Å
334	K	93.3	Very high	94.5	Very high	180 Å²	180	38.3 Å²	38.3	78%	0.783	21%	0.212	S	C	*	.	H	α-helix	trans	-58.9	-46.2	178.3	-175.9	-178.9	176.9	-176.2	0	111.8	S332 G338	S332-K334 VanDerWaalsContact C-N 3.25Å; S332-K334 PolarHBondContact O-N 3.44Å; K334-G338 PolarHBondContact O-N 3.22Å
335	E	94.5	Very high	94.1	Very high	74 Å²	74	39.9 Å²	39.9	35%	0.346	23%	0.229	S	C	.	.	H	α-helix	trans	-66.7	-45	175.9	-70.4	165.6	148.3	0	0	111.3	V331 S332 L333 H337 G338 F339	V331-E335 PolarHBondContact N-OE2 3.24Å; S332-E335 PolarHBondContact N-OE2 3.08Å; S332-E335 PolarHBondContact O-N 2.85Å; S332-E335 VanDerWaalsContact OG-CD 3.27Å; S332-E335 VanDerWaalsContact OG-CG 3.26Å; S332-E335 WeakPolarHBondContact OG-CG 3.14Å; S332-E335 PolarHBondContact OG-N 3.33Å; S332-E335 PolarHBondContact OG-OE2 3.45Å; L333-E335 VanDerWaalsContact C-N 3.35Å; L333-E335 PolarHBondContact O-N 2.89Å; E335-H337 VanDerWaalsContact C-N 3.32Å; E335-H337 PolarHBondContact O-N 3.12Å; E335-G338 PolarHBondContact O-N 3.11Å; E335-F339 HydrophobicContact CB-CD2 4.4Å; E335-F339 HydrophobicContact CB-CE2 4.02Å; E335-F339 HydrophobicContact CB-CZ 4.44Å; E335-F339 WeakPolarHBondContact O-CB 3.39Å; E335-F339 WeakPolarHBondContact O-CD2 3.37Å; E335-F339 WeakPolarHBondContact O-CG 3.22Å; E335-F339 PolarHBondContact O-N 3.14Å
336	L	95.3	Very high	93.5	Very high	2 Å²	2	49 Å²	49	1%	0.01	26%	0.263	C	S	.	.	H	α-helix	trans	-55.7	-49.5	178.2	179.7	64.9	0	0	0	110.9	L283 H285 S330 S332 L333 F339 L340 Q369 M370	L283-L336 HydrophobicContact CD2-CD1 3.99Å; H285-L336 HydrophobicContact CB-CD1 4.09Å; S330-L336 PolarHBondContact OG-N 3.33Å; S332-L336 PolarHBondContact O-N 2.99Å; L333-L336 HydrophobicContact CD2-CD2 4.09Å; L333-L336 PolarHBondContact O-N 3.48Å; L336-F339 PolarHBondContact O-N 2.78Å; L336-L340 HydrophobicContact CD1-CD1 3.52Å; L336-L340 HydrophobicContact CD1-CG 4.02Å; L336-L340 HydrophobicContact CG-CD1 3.91Å; L336-L340 WeakPolarHBondContact O-CB 3.37Å; L336-L340 WeakPolarHBondContact O-CG 3.5Å; L336-L340 PolarHBondContact O-N 2.86Å; L336-Q369 HydrophobicContact CD2-CB 4.27Å; L336-M370 HydrophobicContact CD1-CG 4.44Å; L336-M370 HydrophobicContact CD2-CG 4.18Å
337	H	93.5	Very high	92.9	Very high	50 Å²	50	46.4 Å²	46.4	23%	0.231	25%	0.251	C	S	.	.	H	α-helix	trans	-62.4	-45.1	179.1	-66.3	173	0	0	0	111.9	L333 E335 F339 G341 V342 H373	L333-H337 WeakPolarHBondContact O-CB 3.21Å; L333-H337 PolarHBondContact O-CD2 3.4Å; L333-H337 PolarHBondContact O-N 2.87Å; L333-H337 PolarHBondContact O-ND1 3.31Å; E335-H337 VanDerWaalsContact C-N 3.32Å; E335-H337 PolarHBondContact O-N 3.12Å; H337-F339 PolarHBondContact O-N 3.41Å; H337-G341 WeakPolarHBondContact O-CA 3.05Å; H337-G341 PolarHBondContact O-N 3.44Å; H337-V342 HydrophobicContact CB-CB 3.94Å; H337-V342 HydrophobicContact CB-CG2 4.34Å; H337-V342 PolarHBondContact O-N 2.96Å; H337-H373 AromaticContact CE1-CD2 3.82Å; H337-H373 AromaticContact CE1-CE1 3.93Å; H337-H373 AromaticContact CE1-CG 3.82Å; H337-H373 AromaticContact CE1-ND1 3.89Å; H337-H373 AromaticContact CE1-NE2 3.9Å; H337-H373 AromaticContact NE2-CD2 3.22Å; H337-H373 PolarHBondContact NE2-CD2 2.85Å; H337-H373 AromaticContact NE2-CG 3.24Å; H337-H373 AromaticContact NE2-ND1 3.77Å; H337-H373 AromaticContact NE2-NE2 3.77Å
338	G	94	Very high	92.4	Very high	60 Å²	60	48.3 Å²	48.3	62%	0.619	26%	0.264	S	S	*	.	H	α-helix	trans	-62.7	-40.8	178.1	0	0	0	0	0	112.8	K334 E335	K334-G338 PolarHBondContact O-N 3.22Å; E335-G338 PolarHBondContact O-N 3.11Å
339	F	95.4	Very high	92	Very high	73 Å²	73	44.5 Å²	44.5	32%	0.32	25%	0.247	S	C	.	.	H	α-helix	trans	-75	-38.2	-179.7	-66.2	-22.4	0	0	0	113.4	L283 K328 I329 E335 L336 H337 P356 F357	L283-F339 HydrophobicContact CD1-CB 4.47Å; L283-F339 HydrophobicContact CD1-CD2 3.87Å; K328-F339 HydrophobicContact CB-CD2 4.49Å; K328-F339 HydrophobicContact CB-CE2 4.43Å; I329-F339 WeakPolarHBondContact O-CE2 3.19Å; E335-F339 HydrophobicContact CB-CD2 4.4Å; E335-F339 HydrophobicContact CB-CE2 4.02Å; E335-F339 HydrophobicContact CB-CZ 4.44Å; E335-F339 WeakPolarHBondContact O-CB 3.39Å; E335-F339 WeakPolarHBondContact O-CD2 3.37Å; E335-F339 WeakPolarHBondContact O-CG 3.22Å; E335-F339 PolarHBondContact O-N 3.14Å; L336-F339 PolarHBondContact O-N 2.78Å; H337-F339 PolarHBondContact O-N 3.41Å; F339-P356 WeakPolarHBondContact O-CG 3.38Å; F339-F357 HydrophobicContact CB-CE2 3.94Å; F339-F357 HydrophobicContact CB-CZ 3.92Å; F339-F357 WeakPolarHBondContact O-CE2 3.22Å
340	L	93.6	Very high	91.6	Very high	5 Å²	5	43.9 Å²	43.9	3%	0.026	25%	0.245	C	C	.	.	H	α-helix	trans	-80.6	-17.3	178.1	-68	-179.6	0	0	0	113.1	L283 L336 V342 L351 L355 F357 I360 M370 M374	L283-L340 HydrophobicContact CD2-CD2 3.74Å; L283-L340 HydrophobicContact CD2-CG 4.14Å; L336-L340 HydrophobicContact CD1-CD1 3.52Å; L336-L340 HydrophobicContact CD1-CG 4.02Å; L336-L340 HydrophobicContact CG-CD1 3.91Å; L336-L340 WeakPolarHBondContact O-CB 3.37Å; L336-L340 WeakPolarHBondContact O-CG 3.5Å; L336-L340 PolarHBondContact O-N 2.86Å; L340-V342 HydrophobicContact CB-CG2 4.06Å; L340-L351 HydrophobicContact CB-CD2 4.12Å; L340-L355 HydrophobicContact CD2-CD1 3.77Å; L340-F357 HydrophobicContact CD2-CD2 4.13Å; L340-F357 HydrophobicContact CD2-CE2 4.28Å; L340-I360 HydrophobicContact CD2-CD1 4.2Å; L340-M370 HydrophobicContact CD1-CG 4.24Å; L340-M370 HydrophobicContact CD1-SD 4.37Å; L340-M374 HydrophobicContact CD1-CE 4.43Å; L340-M374 HydrophobicContact CD1-CG 4.08Å; L340-M374 HydrophobicContact CD1-SD 3.86Å
341	G	92.1	Very high	91.3	Very high	21 Å²	21	44.4 Å²	44.4	22%	0.216	25%	0.247	C	C	.	.	T	Hydrogen-bonded Turn	trans	71	45.6	-173	0	0	0	0	0	111.8	H337 T352	H337-G341 WeakPolarHBondContact O-CA 3.05Å; H337-G341 PolarHBondContact O-N 3.44Å; G341-T352 WeakPolarHBondContact O-CB 3.45Å; G341-T352 WeakPolarHBondContact O-CG2 3.47Å; G341-T352 PolarHBondContact O-N 3.12Å; G341-T352 PolarHBondContact O-OG1 2.8Å
342	V	91.9	Very high	91	Very high	23 Å²	23	46.8 Å²	46.8	14%	0.139	26%	0.262	C	S	.	.	P	Polyproline II helix	trans	-70.8	127.4	175.9	172.2	0	0	0	0	109.6	H337 L340 L351 H373	H337-V342 HydrophobicContact CB-CB 3.94Å; H337-V342 HydrophobicContact CB-CG2 4.34Å; H337-V342 PolarHBondContact O-N 2.96Å; L340-V342 HydrophobicContact CB-CG2 4.06Å; V342-L351 HydrophobicContact CB-CD2 4.46Å; V342-L351 HydrophobicContact CG2-CD2 3.71Å; V342-H373 HydrophobicContact CG1-CB 4.11Å; V342-H373 WeakPolarHBondContact CG1-O 3.07Å; V342-H373 HydrophobicContact CG2-CB 4.47Å
343	P	90.7	Very high	90.6	Very high	6 Å²	6	46.8 Å²	46.8	4%	0.039	27%	0.268	C	S	.	.	P	Polyproline II helix	trans	-67.8	158.5	176.5	30.5	-36.8	0	0	0	111.6	C181 F184 Y185 G345 C349 P350 T352	C181-P343 HydrophobicContact CB-CB 4.22Å; C181-P343 HydrophobicContact CB-CG 4.22Å; F184-P343 HydrophobicContact CD1-CB 3.99Å; F184-P343 HydrophobicContact CE1-CB 4.19Å; Y185-P343 HydrophobicContact CE2-CB 4.06Å; Y185-P343 HydrophobicContact CE2-CG 4.13Å; P343-G345 PolarHBondContact O-N 2.77Å; P343-C349 HydrophobicContact CG-CB 4.08Å; P343-P350 WeakPolarHBondContact CD-O 3.41Å; P343-P350 WeakPolarHBondContact CG-O 3.32Å; P343-T352 HydrophobicContact CB-CG2 3.99Å
344	P	89.3	Confident	90.3	Very high	65 Å²	65	50.3 Å²	50.3	42%	0.422	29%	0.292	S	S	.	.	S	Bend	trans	-61.3	133.6	175.5	27.6	-34.9	0	0	0	110	C181 F184	C181-P344 WeakPolarHBondContact CA-O 3.34Å; C181-P344 WeakPolarHBondContact CB-O 3.03Å; C181-P344 PolarHBondContact N-O 3.31Å; C181-P344 VanDerWaalsContact N-O 3.12Å; F184-P344 HydrophobicContact CB-CG 3.85Å; F184-P344 HydrophobicContact CD2-CG 3.66Å; F184-P344 HydrophobicContact CE2-CG 4.42Å; F184-P344 HydrophobicContact CG-CG 3.81Å
345	G	87.2	Confident	90.1	Very high	35 Å²	35	42.6 Å²	42.6	36%	0.361	26%	0.259	S	S	.	.	S	Bend	trans	145.8	-159	-179.5	0	0	0	0	0	115.9	D179 P343	D179-G345 WeakPolarHBondContact OD1-CA 3.19Å; P343-G345 PolarHBondContact O-N 2.77Å
346	R	85.6	Confident	90	Very high	201 Å²	201	41 Å²	41	76%	0.758	25%	0.254	S	S	*	.	S	Bend	trans	-107	19.7	-180	-59.2	-178.2	179.8	179.6	1.3	112.2	D179	D179-R346 PolarHBondContact OD1-N 2.92Å; D179-R346 VanDerWaalsContact OD1-N 3.16Å; D179-R346 WeakPolarHBondContact OD2-CA 3.21Å; D179-R346 WeakPolarHBondContact OD2-CB 2.98Å; D179-R346 PolarHBondContact OD2-N 2.99Å
347	G	84.5	Confident	90	Very high	8 Å²	8	41.7 Å²	41.7	8%	0.082	26%	0.257	C	S	.	.	S	Bend	trans	76	22.6	176.5	0	0	0	0	0	115	D179 C349 Q372 G375	D179-G347 PolarHBondContact OD2-N 3.34Å; G347-C349 VanDerWaalsContact C-N 3.35Å; G347-Q372 WeakPolarHBondContact CA-O 3.39Å; G347-G375 WeakPolarHBondContact O-CA 3.31Å; G347-G375 PolarHBondContact O-N 2.81Å
348	S	87.9	Confident	90.2	Very high	43 Å²	43	41.8 Å²	41.8	30%	0.301	26%	0.26	S	S	.	.			trans	-70	-34.8	174.6	-49.8	0	0	0	0	112.1	D179 Y182	D179-S348 WeakPolarHBondContact CB-OG 3.43Å; D179-S348 VanDerWaalsContact OD2-CB 3.23Å; D179-S348 WeakPolarHBondContact OD2-CB 3.48Å; D179-S348 PolarHBondContact OD2-N 2.81Å; D179-S348 VanDerWaalsContact OD2-N 3.12Å; D179-S348 PolarHBondContact OD2-OG 2.85Å; Y182-S348 WeakPolarHBondContact OH-CB 3.44Å
349	C	89.3	Confident	90.4	Very high	0 Å²	0	39.7 Å²	39.7	0%	0	23%	0.234	C	C	.	.	S	Bend	trans	-92.5	155.2	-177	-56.7	0	0	0	0	112.6	C181 Y182 Y185 Y197 P343 G347	C181-C349 HydrophobicContact CB-CB 3.59Å; C181-C349 WeakPolarHBondContact CB-SG 3.43Å; C181-C349 WeakPolarHBondContact SG-CB 3.41Å; C181-C349 PolarHBondContact SG-N 3.08Å; C181-C349 CovalentContact SG-SG 2.02Å; C181-C349 PolarHBondContact SG-SG 3.01Å; Y182-C349 PolarHBondContact N-SG 3.27Å; Y185-C349 HydrophobicContact CD2-CB 4.02Å; Y185-C349 HydrophobicContact CE2-CB 3.63Å; Y197-C349 WeakPolarHBondContact OH-CB 3.46Å; Y197-C349 PolarHBondContact OH-SG 3Å; P343-C349 HydrophobicContact CG-CB 4.08Å; G347-C349 VanDerWaalsContact C-N 3.35Å
350	P	89.5	Confident	90.5	Very high	3 Å²	3	36.2 Å²	36.2	2%	0.019	22%	0.219	C	C	.	.	P	Polyproline II helix	trans	-67.5	169.2	173.1	29.6	-35.6	0	0	0	112.5	Y185 V201 E202 P343 S377	Y185-P350 PolarHBondContact OH-O 3.06Å; V201-P350 HydrophobicContact CG1-CG 3.42Å; V201-P350 VanDerWaalsContact CG1-CG 3.42Å; E202-P350 HydrophobicContact CG-CG 4.39Å; P343-P350 WeakPolarHBondContact CD-O 3.41Å; P343-P350 WeakPolarHBondContact CG-O 3.32Å; P350-S377 VanDerWaalsContact CA-OG 3.28Å; P350-S377 WeakPolarHBondContact CA-OG 3.48Å; P350-S377 WeakPolarHBondContact CB-OG 3.5Å
351	L	90.1	Very high	90.8	Very high	11 Å²	11	36 Å²	36	6%	0.058	22%	0.218	C	C	.	.	P	Polyproline II helix	trans	-56.9	148.3	173.9	-62	179.2	0	0	0	112	Y185 L340 V342 G353 L355 M374 S377	Y185-L351 PolarHBondContact OH-O 3.14Å; Y185-L351 VanDerWaalsContact OH-O 3.1Å; L340-L351 HydrophobicContact CB-CD2 4.12Å; V342-L351 HydrophobicContact CB-CD2 4.46Å; V342-L351 HydrophobicContact CG2-CD2 3.71Å; L351-G353 PolarHBondContact O-N 3.06Å; L351-G353 VanDerWaalsContact O-N 3.09Å; L351-L355 HydrophobicContact CD1-CD1 4.1Å; L351-M374 HydrophobicContact CD1-CE 3.92Å; L351-M374 HydrophobicContact CD2-CG 4.23Å; L351-S377 PolarHBondContact N-OG 2.82Å
352	T	86.7	Confident	91.1	Very high	71 Å²	71	35 Å²	35	44%	0.436	21%	0.208	S	C	.	.	S	Bend	trans	-64.6	-11	-178.4	56.1	0	0	0	0	115.3	F184 Y185 G341 P343	F184-T352 HydrophobicContact CE1-CG2 3.59Å; F184-T352 HydrophobicContact CZ-CG2 3.94Å; Y185-T352 VanDerWaalsContact OH-CA 3.23Å; Y185-T352 WeakPolarHBondContact OH-CA 3.02Å; Y185-T352 PolarHBondContact OH-N 3.49Å; G341-T352 WeakPolarHBondContact O-CB 3.45Å; G341-T352 WeakPolarHBondContact O-CG2 3.47Å; G341-T352 PolarHBondContact O-N 3.12Å; G341-T352 PolarHBondContact O-OG1 2.8Å; P343-T352 HydrophobicContact CB-CG2 3.99Å
353	G	85.1	Confident	91.3	Very high	36 Å²	36	34.4 Å²	34.4	37%	0.371	20%	0.204	S	C	.	.	S	Bend	trans	-163.5	-172	178.6	0	0	0	0	0	112.1	L351	L351-G353 PolarHBondContact O-N 3.06Å; L351-G353 VanDerWaalsContact O-N 3.09Å
354	P	85.9	Confident	91.5	Very high	90 Å²	90	35.2 Å²	35.2	58%	0.584	21%	0.206	S	C	*	.	S	Bend	trans	-62.9	152.3	173.8	29.4	-35.3	0	0	0	110.6	L219 P356	L219-P354 HydrophobicContact CD1-CG 4.25Å; P354-P356 WeakPolarHBondContact O-CD 3.36Å
355	L	90.3	Very high	91.8	Very high	18 Å²	18	35.3 Å²	35.3	9%	0.094	20%	0.201	C	C	.	.			trans	-57.6	123.3	175.5	-171.3	73.7	0	0	0	110	L340 L351 F357 I360 M374 H381 H384	L340-L355 HydrophobicContact CD2-CD1 3.77Å; L351-L355 HydrophobicContact CD1-CD1 4.1Å; L355-F357 WeakPolarHBondContact CD2-O 3.31Å; L355-F357 PolarHBondContact O-N 3.2Å; L355-I360 HydrophobicContact CD1-CD1 4.1Å; L355-I360 HydrophobicContact CD2-CD1 4.18Å; L355-M374 HydrophobicContact CD1-CE 4.31Å; L355-H381 HydrophobicContact CD2-CB 4.08Å; L355-H384 HydrophobicContact CD2-CB 4.09Å
356	P	92.3	Very high	92.2	Very high	39 Å²	39	33.6 Å²	33.6	25%	0.253	18%	0.183	S	C	.	.	S	Bend	trans	-81.4	-1.7	-174.6	27.3	-28	0	0	0	113.8	R281 F339 P354	R281-P356 PolarHBondContact NE-O 2.86Å; R281-P356 PolarHBondContact NH1-O 3.05Å; R281-P356 VanDerWaalsContact NH1-O 3.16Å; R281-P356 PolarHBondContact NH2-O 3.1Å; F339-P356 WeakPolarHBondContact O-CG 3.38Å; P354-P356 WeakPolarHBondContact O-CD 3.36Å
357	F	95.6	Very high	92.7	Very high	17 Å²	17	24.1 Å²	24.1	8%	0.075	15%	0.148	C	C	.	.			trans	-119.6	143	-175	-58.8	-73	0	0	0	111.2	R281 L283 K328 F339 L340 L355 I360	R281-F357 HydrophobicContact CB-CD1 4.31Å; L283-F357 HydrophobicContact CB-CB 4.34Å; L283-F357 HydrophobicContact CB-CD1 3.83Å; L283-F357 HydrophobicContact CB-CD2 3.72Å; L283-F357 HydrophobicContact CB-CE1 4.02Å; L283-F357 HydrophobicContact CB-CE2 3.9Å; L283-F357 HydrophobicContact CB-CG 3.68Å; L283-F357 HydrophobicContact CB-CZ 4.06Å; L283-F357 HydrophobicContact CD1-CE2 4.34Å; L283-F357 HydrophobicContact CD1-CZ 4.24Å; L283-F357 HydrophobicContact CD2-CD2 4.08Å; L283-F357 HydrophobicContact CD2-CE2 3.97Å; L283-F357 HydrophobicContact CG-CD2 4.45Å; L283-F357 HydrophobicContact CG-CE2 4.3Å; K328-F357 HydrophobicContact CB-CE1 3.96Å; K328-F357 HydrophobicContact CB-CZ 4.24Å; K328-F357 HydrophobicContact CG-CE1 3.8Å; K328-F357 HydrophobicContact CG-CZ 4.22Å; F339-F357 HydrophobicContact CB-CE2 3.94Å; F339-F357 HydrophobicContact CB-CZ 3.92Å; F339-F357 WeakPolarHBondContact O-CE2 3.22Å; L340-F357 HydrophobicContact CD2-CD2 4.13Å; L340-F357 HydrophobicContact CD2-CE2 4.28Å; L355-F357 WeakPolarHBondContact CD2-O 3.31Å; L355-F357 PolarHBondContact O-N 3.2Å; F357-I360 HydrophobicContact CB-CG1 4.4Å
358	D	96.3	Very high	93.2	Very high	53 Å²	53	27.3 Å²	27.3	28%	0.283	16%	0.16	S	C	.	.	S	Bend	trans	-81.2	-31	175.3	-53	-58.3	0	0	0	111.1	K280 R281 H384	K280-D358 WeakPolarHBondContact CA-OD2 3.22Å; K280-D358 HydrophobicContact CB-CB 4.17Å; K280-D358 HydrophobicContact CD-CB 4Å; R281-D358 PolarHBondContact N-OD2 3.17Å; R281-D358 PolarHBondContact O-N 3.28Å; D358-H384 PolarHBondContact O-ND1 3.4Å
359	L	98.3	Very high	93.5	Very high	15 Å²	15	25.7 Å²	25.7	8%	0.079	15%	0.148	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.6	148.9	177.5	-67.6	172.6	0	0	0	111	R281 I282 L283 Y361 H384 I634	R281-L359 PolarHBondContact O-N 3.23Å; I282-L359 WeakPolarHBondContact CA-O 3.49Å; I282-L359 HydrophobicContact CD1-CD1 4.39Å; I282-L359 HydrophobicContact CG1-CB 4.3Å; I282-L359 HydrophobicContact CG2-CB 4.26Å; L283-L359 PolarHBondContact N-O 3.05Å; L359-Y361 HydrophobicContact CB-CE2 4.3Å; L359-Y361 HydrophobicContact CD1-CE2 4.38Å; L359-H384 WeakPolarHBondContact CA-O 3.36Å; L359-I634 HydrophobicContact CD1-CG1 4.08Å; L359-I634 HydrophobicContact CD1-CG2 4.22Å
360	I	98.7	Very high	93.7	Very high	1 Å²	1	25.7 Å²	25.7	1%	0.005	15%	0.148	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.3	117.6	173.9	-54.1	177.7	0	0	0	108.8	L283 L340 L355 F357 M370 H384 I385 R386	L283-I360 HydrophobicContact CB-CG1 4.26Å; L283-I360 HydrophobicContact CB-CG2 4.35Å; L283-I360 HydrophobicContact CD2-CG1 4.48Å; L283-I360 HydrophobicContact CD2-CG2 4.13Å; L283-I360 HydrophobicContact CG-CG2 4.31Å; L283-I360 CarbonylContact O-C 3.34Å; L283-I360 VanDerWaalsContact O-CA 3.3Å; L283-I360 WeakPolarHBondContact O-CA 3.39Å; L340-I360 HydrophobicContact CD2-CD1 4.2Å; L355-I360 HydrophobicContact CD1-CD1 4.1Å; L355-I360 HydrophobicContact CD2-CD1 4.18Å; F357-I360 HydrophobicContact CB-CG1 4.4Å; I360-M370 HydrophobicContact CD1-SD 4.39Å; I360-M370 HydrophobicContact CG2-CE 4.24Å; I360-M370 HydrophobicContact CG2-SD 4.18Å; I360-H384 PolarHBondContact N-O 3.02Å; I360-I385 HydrophobicContact CB-CG1 4.43Å; I360-I385 CarbonylContact O-C 3.54Å; I360-I385 WeakPolarHBondContact O-CA 3.46Å; I360-R386 PolarHBondContact O-N 2.77Å
361	Y	98.8	Very high	93.9	Very high	1 Å²	1	30.3 Å²	30.3	0%	0.004	17%	0.168	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96	128.8	168.6	-70	-99.4	0	0	0	109.3	I282 L283 V284 H285 L320 L359 R386 I388 M423 M435	I282-Y361 HydrophobicContact CG2-CD2 3.58Å; I282-Y361 HydrophobicContact CG2-CE2 3.83Å; L283-Y361 PolarHBondContact O-N 3.1Å; V284-Y361 WeakPolarHBondContact CA-O 3.36Å; H285-Y361 PolarHBondContact N-O 2.71Å; L320-Y361 HydrophobicContact CD1-CD2 4.04Å; L320-Y361 HydrophobicContact CD1-CE2 4.17Å; L320-Y361 HydrophobicContact CD2-CE2 4.03Å; L359-Y361 HydrophobicContact CB-CE2 4.3Å; L359-Y361 HydrophobicContact CD1-CE2 4.38Å; Y361-R386 WeakPolarHBondContact CA-O 3.5Å; Y361-R386 HydrophobicContact CD1-CB 3.6Å; Y361-R386 HydrophobicContact CD1-CG 4.27Å; Y361-R386 HydrophobicContact CE1-CB 3.66Å; Y361-R386 HydrophobicContact CE1-CG 3.88Å; Y361-R386 HydrophobicContact CE2-CG 4.5Å; Y361-R386 HydrophobicContact CG-CB 4.14Å; Y361-I388 HydrophobicContact CD1-CD1 4.26Å; Y361-M423 HydrophobicContact CD1-SD 4.11Å; Y361-M423 HydrophobicContact CE1-CE 4.05Å; Y361-M423 HydrophobicContact CE1-SD 3.64Å; Y361-M435 HydrophobicContact CD1-CE 4.04Å; Y361-M435 HydrophobicContact CE1-CE 3.52Å
362	T	98.5	Very high	93.9	Very high	0 Å²	0	34.4 Å²	34.4	0%	0	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-149.9	179.8	178.5	-159.7	0	0	0	0	112.4	H285 G366 L367 M370 I385 R386 V387 I388	H285-T362 VanDerWaalsContact O-CA 3.29Å; H285-T362 WeakPolarHBondContact O-CA 3.34Å; H285-T362 WeakPolarHBondContact O-CB 3.39Å; H285-T362 PolarHBondContact O-OG1 3.21Å; T362-G366 WeakPolarHBondContact OG1-CA 3.41Å; T362-L367 HydrophobicContact CG2-CB 4.3Å; T362-M370 HydrophobicContact CG2-CE 3.44Å; T362-M370 VanDerWaalsContact CG2-CE 3.44Å; T362-I385 HydrophobicContact CG2-CG2 3.96Å; T362-R386 PolarHBondContact N-O 3.02Å; T362-V387 CarbonylContact O-C 3.59Å; T362-V387 WeakPolarHBondContact O-CA 3.16Å; T362-I388 PolarHBondContact O-N 3.39Å
363	D	97.1	Very high	93.9	Very high	10 Å²	10	32.5 Å²	32.5	5%	0.053	17%	0.173	C	C	.	.			trans	-113.2	-177.5	170.2	55.7	45.2	0	0	0	110.4	G287 F288 W313 H365 G366 L367	G287-D363 WeakPolarHBondContact CA-OD1 3.4Å; G287-D363 PolarHBondContact N-OD1 3.15Å; G287-D363 PolarHBondContact N-OD2 3.32Å; F288-D363 WeakPolarHBondContact CD1-OD2 3.42Å; F288-D363 PolarHBondContact N-OD2 3.24Å; W313-D363 HydrophobicContact CZ2-CB 4.16Å; D363-H365 VanDerWaalsContact C-N 3.27Å; D363-H365 PolarHBondContact O-N 3.25Å; D363-H365 WeakPolarHBondContact OD1-CA 3.45Å; D363-H365 WeakPolarHBondContact OD1-CB 3.42Å; D363-H365 PolarHBondContact OD1-N 3.11Å; D363-G366 PolarHBondContact O-N 3.26Å; D363-G366 PolarHBondContact OD1-N 3.25Å; D363-L367 WeakPolarHBondContact O-CB 3.17Å; D363-L367 PolarHBondContact O-N 2.87Å
364	Y	95.6	Very high	94.1	Very high	22 Å²	22	30.9 Å²	30.9	9%	0.086	16%	0.156	C	C	.	.	H	α-helix	trans	-59.7	-34.5	177.3	-76.5	-67.9	0	0	0	114.3	L367 Q368 D389 T393 W412 W415 Y422 P569	Y364-L367 PolarHBondContact O-N 3Å; Y364-Q368 WeakPolarHBondContact O-CB 3.38Å; Y364-Q368 PolarHBondContact O-N 3.25Å; Y364-D389 HydrophobicContact CE2-CB 4.02Å; Y364-D389 PolarHBondContact OH-OD2 3.45Å; Y364-T393 PolarHBondContact OH-OG1 2.97Å; Y364-W412 AromaticContact CD2-CE3 3.94Å; Y364-W412 HydrophobicContact CD2-CE3 3.94Å; Y364-W412 HydrophobicContact CE1-CB 4.27Å; Y364-W412 WeakPolarHBondContact CE1-O 3.28Å; Y364-W412 HydrophobicContact CE2-CB 4.21Å; Y364-W412 HydrophobicContact CG-CE3 4.02Å; Y364-W415 AromaticContact CD1-NE1 3.54Å; Y364-W415 AromaticContact CE1-CD1 3.8Å; Y364-W415 AromaticContact CE1-NE1 3.59Å; Y364-Y422 HydrophobicContact CE1-CE1 4.1Å; Y364-P569 WeakPolarHBondContact OH-CG 3.42Å
365	H	94.9	Very high	94	Very high	67 Å²	67	27.7 Å²	27.7	31%	0.31	14%	0.139	S	C	.	.	H	α-helix	trans	-67.6	-45	178.7	-70.4	-88.7	0	0	0	109.9	S293 D363 L367 Q368 Q369	S293-H365 PolarHBondContact OG-ND1 2.87Å; D363-H365 VanDerWaalsContact C-N 3.27Å; D363-H365 PolarHBondContact O-N 3.25Å; D363-H365 WeakPolarHBondContact OD1-CA 3.45Å; D363-H365 WeakPolarHBondContact OD1-CB 3.42Å; D363-H365 PolarHBondContact OD1-N 3.11Å; H365-L367 VanDerWaalsContact C-N 3.34Å; H365-L367 PolarHBondContact O-N 3.25Å; H365-Q368 WeakPolarHBondContact O-CB 3.13Å; H365-Q368 PolarHBondContact O-N 3.01Å; H365-Q369 WeakPolarHBondContact O-CG 3.38Å; H365-Q369 PolarHBondContact O-N 3.21Å
366	G	95.9	Very high	93.6	Very high	0 Å²	0	29.2 Å²	29.2	0%	0	15%	0.147	C	C	.	.	H	α-helix	trans	-67.4	-35	177.3	0	0	0	0	0	112.5	H285 T362 D363 Q369 M370	H285-G366 VanDerWaalsContact CD2-CA 3.45Å; H285-G366 WeakPolarHBondContact CD2-CA 3.38Å; T362-G366 WeakPolarHBondContact OG1-CA 3.41Å; D363-G366 PolarHBondContact O-N 3.26Å; D363-G366 PolarHBondContact OD1-N 3.25Å; G366-Q369 PolarHBondContact O-N 2.8Å; G366-M370 WeakPolarHBondContact O-CB 3.29Å; G366-M370 WeakPolarHBondContact O-CG 3.29Å; G366-M370 PolarHBondContact O-N 2.75Å
367	L	95.4	Very high	93.5	Very high	2 Å²	2	27.6 Å²	27.6	1%	0.01	14%	0.137	C	C	.	.	H	α-helix	trans	-63.9	-41	172.3	-168.6	62.1	0	0	0	111.9	T362 D363 Y364 H365 M370 K371 I385 V387 W415 L417	T362-L367 HydrophobicContact CG2-CB 4.3Å; D363-L367 WeakPolarHBondContact O-CB 3.17Å; D363-L367 PolarHBondContact O-N 2.87Å; Y364-L367 PolarHBondContact O-N 3Å; H365-L367 VanDerWaalsContact C-N 3.34Å; H365-L367 PolarHBondContact O-N 3.25Å; L367-M370 HydrophobicContact CD1-CE 4.23Å; L367-M370 PolarHBondContact O-N 3.34Å; L367-K371 WeakPolarHBondContact O-CB 3.01Å; L367-K371 PolarHBondContact O-N 2.84Å; L367-I385 HydrophobicContact CD1-CD1 3.83Å; L367-I385 HydrophobicContact CD1-CG2 4.27Å; L367-V387 HydrophobicContact CD2-CG2 4.12Å; L367-W415 HydrophobicContact CB-CH2 4.32Å; L367-W415 HydrophobicContact CB-CZ3 4.43Å; L367-W415 HydrophobicContact CD1-CE3 4.47Å; L367-W415 HydrophobicContact CD1-CZ3 4.48Å; L367-W415 HydrophobicContact CD2-CB 4.34Å; L367-W415 HydrophobicContact CD2-CD2 3.3Å; L367-W415 HydrophobicContact CD2-CE3 3.41Å; L367-W415 VanDerWaalsContact CD2-CE3 3.41Å; L367-W415 HydrophobicContact CD2-CG 3.71Å; L367-W415 HydrophobicContact CD2-CH2 4.2Å; L367-W415 HydrophobicContact CD2-CZ2 4.13Å; L367-W415 HydrophobicContact CD2-CZ3 3.85Å; L367-W415 HydrophobicContact CG-CD2 4Å; L367-W415 HydrophobicContact CG-CE3 3.63Å; L367-W415 HydrophobicContact CG-CH2 3.89Å; L367-W415 HydrophobicContact CG-CZ2 4.25Å; L367-W415 HydrophobicContact CG-CZ3 3.54Å; L367-L417 HydrophobicContact CD2-CD1 4.03Å
368	Q	94.3	Very high	93.2	Very high	74 Å²	74	27.8 Å²	27.8	35%	0.346	14%	0.138	S	C	.	.	H	α-helix	trans	-64.2	-41	174	179.8	60	26.1	0	0	112.4	Y364 H365 K371 Q372 W415	Y364-Q368 WeakPolarHBondContact O-CB 3.38Å; Y364-Q368 PolarHBondContact O-N 3.25Å; H365-Q368 WeakPolarHBondContact O-CB 3.13Å; H365-Q368 PolarHBondContact O-N 3.01Å; Q368-K371 WeakPolarHBondContact O-CB 3.49Å; Q368-K371 PolarHBondContact O-N 2.85Å; Q368-Q372 WeakPolarHBondContact O-CG 3.14Å; Q368-Q372 PolarHBondContact O-N 3.23Å; Q368-W415 HydrophobicContact CB-CH2 4.23Å
369	Q	94.1	Very high	92.8	Very high	9 Å²	9	35 Å²	35	4%	0.042	16%	0.161	C	C	.	.	H	α-helix	trans	-64.9	-43.5	175.8	-69.8	167.4	12.7	0	0	111.5	H285 T290 S293 L333 L336 H365 G366 K371 Q372 H373	H285-Q369 PolarHBondContact CE1-OE1 3.2Å; H285-Q369 PolarHBondContact NE2-OE1 2.91Å; T290-Q369 PolarHBondContact OG1-NE2 3.24Å; S293-Q369 PolarHBondContact OG-NE2 3.47Å; L333-Q369 HydrophobicContact CD2-CB 3.68Å; L333-Q369 HydrophobicContact CD2-CG 3.7Å; L336-Q369 HydrophobicContact CD2-CB 4.27Å; H365-Q369 WeakPolarHBondContact O-CG 3.38Å; H365-Q369 PolarHBondContact O-N 3.21Å; G366-Q369 PolarHBondContact O-N 2.8Å; Q369-K371 PolarHBondContact O-N 2.93Å; Q369-Q372 PolarHBondContact O-N 3.22Å; Q369-H373 PolarHBondContact O-CD2 3.26Å; Q369-H373 VanDerWaalsContact O-CD2 3.28Å; Q369-H373 PolarHBondContact O-N 3.18Å; Q369-H373 VanDerWaalsContact O-N 3.1Å
370	M	94.5	Very high	92.3	Very high	0 Å²	0	40.1 Å²	40.1	0%	0	18%	0.183	C	C	.	.	H	α-helix	trans	-61.8	-41.4	172.6	-77.9	-169.9	-69	0	0	112	L336 L340 I360 T362 G366 L367 Q372 H373 M374 L378 I385	L336-M370 HydrophobicContact CD1-CG 4.44Å; L336-M370 HydrophobicContact CD2-CG 4.18Å; L340-M370 HydrophobicContact CD1-CG 4.24Å; L340-M370 HydrophobicContact CD1-SD 4.37Å; I360-M370 HydrophobicContact CD1-SD 4.39Å; I360-M370 HydrophobicContact CG2-CE 4.24Å; I360-M370 HydrophobicContact CG2-SD 4.18Å; T362-M370 HydrophobicContact CG2-CE 3.44Å; T362-M370 VanDerWaalsContact CG2-CE 3.44Å; G366-M370 WeakPolarHBondContact O-CB 3.29Å; G366-M370 WeakPolarHBondContact O-CG 3.29Å; G366-M370 PolarHBondContact O-N 2.75Å; L367-M370 HydrophobicContact CD1-CE 4.23Å; L367-M370 PolarHBondContact O-N 3.34Å; M370-Q372 VanDerWaalsContact C-N 3.27Å; M370-Q372 PolarHBondContact O-N 2.87Å; M370-H373 PolarHBondContact O-N 3.4Å; M370-M374 HydrophobicContact CB-CG 4.22Å; M370-M374 HydrophobicContact CB-SD 3.56Å; M370-M374 VanDerWaalsContact CB-SD 3.56Å; M370-M374 HydrophobicContact CG-CG 4.45Å; M370-M374 HydrophobicContact CG-SD 3.63Å; M370-M374 WeakPolarHBondContact O-CB 3.25Å; M370-M374 WeakPolarHBondContact O-CG 3.27Å; M370-M374 PolarHBondContact O-N 3.04Å; M370-M374 HydrophobicContact SD-SD 3.78Å; M370-L378 HydrophobicContact CB-CD1 4.39Å; M370-I385 HydrophobicContact CE-CD1 4.15Å
371	K	92.5	Very high	92	Very high	101 Å²	101	41.3 Å²	41.3	44%	0.439	19%	0.189	S	C	.	.	H	α-helix	trans	-59.8	-38.1	174.5	-174.3	179.9	-175.6	170.3	0	112.3	L367 Q368 Q369 L378 W415	L367-K371 WeakPolarHBondContact O-CB 3.01Å; L367-K371 PolarHBondContact O-N 2.84Å; Q368-K371 WeakPolarHBondContact O-CB 3.49Å; Q368-K371 PolarHBondContact O-N 2.85Å; Q369-K371 PolarHBondContact O-N 2.93Å; K371-L378 VanDerWaalsContact CA-CD2 3.46Å; K371-L378 HydrophobicContact CB-CD2 3.72Å; K371-L378 HydrophobicContact CG-CD2 4.18Å; K371-W415 HydrophobicContact CB-CH2 4.37Å; K371-W415 HydrophobicContact CB-CZ3 4.05Å; K371-W415 HydrophobicContact CD-CH2 3.93Å; K371-W415 HydrophobicContact CD-CZ3 3.61Å; K371-W415 HydrophobicContact CG-CZ3 4.34Å
372	Q	90.4	Very high	91.7	Very high	97 Å²	97	44.9 Å²	44.9	45%	0.453	20%	0.204	S	C	.	.	H	α-helix	trans	-71.6	-29.6	178.7	-74.6	172.4	-12.5	0	0	113.2	G347 Q368 Q369 M370	G347-Q372 WeakPolarHBondContact CA-O 3.39Å; Q368-Q372 WeakPolarHBondContact O-CG 3.14Å; Q368-Q372 PolarHBondContact O-N 3.23Å; Q369-Q372 PolarHBondContact O-N 3.22Å; M370-Q372 VanDerWaalsContact C-N 3.27Å; M370-Q372 PolarHBondContact O-N 2.87Å
373	H	87.9	Confident	91.6	Very high	31 Å²	31	45.9 Å²	45.9	14%	0.144	21%	0.211	C	C	.	.	H	α-helix	trans	-118.7	-18.5	-166.8	-68.9	-61.3	0	0	0	115.6	H337 V342 Q369 M370	H337-H373 AromaticContact CE1-CD2 3.82Å; H337-H373 AromaticContact CE1-CE1 3.93Å; H337-H373 AromaticContact CE1-CG 3.82Å; H337-H373 AromaticContact CE1-ND1 3.89Å; H337-H373 AromaticContact CE1-NE2 3.9Å; H337-H373 AromaticContact NE2-CD2 3.22Å; H337-H373 PolarHBondContact NE2-CD2 2.85Å; H337-H373 AromaticContact NE2-CG 3.24Å; H337-H373 AromaticContact NE2-ND1 3.77Å; H337-H373 AromaticContact NE2-NE2 3.77Å; V342-H373 HydrophobicContact CG1-CB 4.11Å; V342-H373 WeakPolarHBondContact CG1-O 3.07Å; V342-H373 HydrophobicContact CG2-CB 4.47Å; Q369-H373 PolarHBondContact O-CD2 3.26Å; Q369-H373 VanDerWaalsContact O-CD2 3.28Å; Q369-H373 PolarHBondContact O-N 3.18Å; Q369-H373 VanDerWaalsContact O-N 3.1Å; M370-H373 PolarHBondContact O-N 3.4Å
374	M	89.8	Confident	91.6	Very high	1 Å²	1	47.4 Å²	47.4	1%	0.005	22%	0.218	C	C	.	.	S	Bend	trans	-90.9	-6.5	178.5	-63.6	177.5	73.2	0	0	113.5	L340 L351 L355 M370 L376 S377 L378	L340-M374 HydrophobicContact CD1-CE 4.43Å; L340-M374 HydrophobicContact CD1-CG 4.08Å; L340-M374 HydrophobicContact CD1-SD 3.86Å; L351-M374 HydrophobicContact CD1-CE 3.92Å; L351-M374 HydrophobicContact CD2-CG 4.23Å; L355-M374 HydrophobicContact CD1-CE 4.31Å; M370-M374 HydrophobicContact CB-CG 4.22Å; M370-M374 HydrophobicContact CB-SD 3.56Å; M370-M374 VanDerWaalsContact CB-SD 3.56Å; M370-M374 HydrophobicContact CG-CG 4.45Å; M370-M374 HydrophobicContact CG-SD 3.63Å; M370-M374 WeakPolarHBondContact O-CB 3.25Å; M370-M374 WeakPolarHBondContact O-CG 3.27Å; M370-M374 PolarHBondContact O-N 3.04Å; M370-M374 HydrophobicContact SD-SD 3.78Å; M374-L376 PolarHBondContact O-N 3.01Å; M374-S377 WeakPolarHBondContact O-CA 3.21Å; M374-S377 WeakPolarHBondContact O-CB 3.28Å; M374-S377 PolarHBondContact O-N 2.94Å; M374-L378 HydrophobicContact CB-CB 4.02Å; M374-L378 HydrophobicContact SD-CD1 4.12Å
375	G	81.9	Confident	91.8	Very high	23 Å²	23	46.4 Å²	46.4	24%	0.237	21%	0.214	C	C	.	.	T	Hydrogen-bonded Turn	trans	49.6	-129.5	-180	0	0	0	0	0	112.9	G347 S377 L378	G347-G375 WeakPolarHBondContact O-CA 3.31Å; G347-G375 PolarHBondContact O-N 2.81Å; G375-S377 PolarHBondContact O-N 3.2Å; G375-L378 PolarHBondContact O-N 2.88Å
376	L	82.7	Confident	91.9	Very high	50 Å²	50	43.5 Å²	43.5	26%	0.262	20%	0.2	S	C	.	.	H	α-helix	trans	-65.6	-24.6	177.5	-64.7	168.5	0	0	0	113.6	E202 F204 M374 L378 R379 K380	E202-L376 HydrophobicContact CB-CD1 4.09Å; E202-L376 HydrophobicContact CG-CD1 3.94Å; F204-L376 HydrophobicContact CE2-CD1 3.45Å; F204-L376 VanDerWaalsContact CE2-CD1 3.45Å; F204-L376 HydrophobicContact CZ-CD1 3.75Å; F204-L376 HydrophobicContact CZ-CD2 4.22Å; M374-L376 PolarHBondContact O-N 3.01Å; L376-L378 PolarHBondContact O-N 3.29Å; L376-R379 PolarHBondContact O-N 3.32Å; L376-K380 PolarHBondContact O-N 2.81Å
377	S	89.4	Confident	92.1	Very high	5 Å²	5	43.5 Å²	43.5	4%	0.035	20%	0.2	C	C	.	.	H	α-helix	trans	-63.9	-29	-179.8	-59.1	0	0	0	0	112.4	P350 L351 M374 G375 R379 K380 H381	P350-S377 VanDerWaalsContact CA-OG 3.28Å; P350-S377 WeakPolarHBondContact CA-OG 3.48Å; P350-S377 WeakPolarHBondContact CB-OG 3.5Å; L351-S377 PolarHBondContact N-OG 2.82Å; M374-S377 WeakPolarHBondContact O-CA 3.21Å; M374-S377 WeakPolarHBondContact O-CB 3.28Å; M374-S377 PolarHBondContact O-N 2.94Å; G375-S377 PolarHBondContact O-N 3.2Å; S377-R379 VanDerWaalsContact C-N 3.31Å; S377-R379 PolarHBondContact O-N 3.11Å; S377-K380 PolarHBondContact O-N 3.43Å; S377-H381 WeakPolarHBondContact O-CB 3.5Å; S377-H381 PolarHBondContact O-CD2 3.1Å; S377-H381 PolarHBondContact O-N 3.12Å
378	L	90.9	Very high	92.2	Very high	21 Å²	21	43.9 Å²	43.9	11%	0.11	20%	0.202	C	C	.	.	H	α-helix	trans	-60.5	-43.3	175.8	-178.6	61.8	0	0	0	111.2	M370 K371 M374 G375 L376 K380 H381 K382 I385	M370-L378 HydrophobicContact CB-CD1 4.39Å; K371-L378 VanDerWaalsContact CA-CD2 3.46Å; K371-L378 HydrophobicContact CB-CD2 3.72Å; K371-L378 HydrophobicContact CG-CD2 4.18Å; M374-L378 HydrophobicContact CB-CB 4.02Å; M374-L378 HydrophobicContact SD-CD1 4.12Å; G375-L378 PolarHBondContact O-N 2.88Å; L376-L378 PolarHBondContact O-N 3.29Å; L378-K380 VanDerWaalsContact C-N 3.29Å; L378-K380 PolarHBondContact O-N 3.27Å; L378-H381 PolarHBondContact O-N 3.08Å; L378-K382 WeakPolarHBondContact O-CB 3.26Å; L378-K382 PolarHBondContact O-N 3.04Å; L378-I385 HydrophobicContact CD1-CD1 3.56Å
379	R	86.9	Confident	92.4	Very high	204 Å²	204	41 Å²	41	77%	0.77	19%	0.189	S	C	*	.	H	α-helix	trans	-61.3	-40.5	179.4	-70	-175.3	172	-169.2	-3.8	111.6	L376 S377	L376-R379 PolarHBondContact O-N 3.32Å; S377-R379 VanDerWaalsContact C-N 3.31Å; S377-R379 PolarHBondContact O-N 3.11Å
380	K	87.3	Confident	92.4	Very high	123 Å²	123	41.5 Å²	41.5	54%	0.535	19%	0.193	S	C	.	.	H	α-helix	trans	-68.2	-34.2	177.8	-174.4	176.4	-178.4	175.4	0	112.9	W203 L376 S377 L378	W203-K380 HydrophobicContact CZ3-CD 4.47Å; L376-K380 PolarHBondContact O-N 2.81Å; S377-K380 PolarHBondContact O-N 3.43Å; L378-K380 VanDerWaalsContact C-N 3.29Å; L378-K380 PolarHBondContact O-N 3.27Å
381	H	92.2	Very high	92.5	Very high	26 Å²	26	42.5 Å²	42.5	12%	0.12	20%	0.197	C	C	.	.	H	α-helix	trans	-110.8	5	-169.5	-66.2	-58.6	0	0	0	114.9	L355 S377 L378 C383 H384	L355-H381 HydrophobicContact CD2-CB 4.08Å; S377-H381 WeakPolarHBondContact O-CB 3.5Å; S377-H381 PolarHBondContact O-CD2 3.1Å; S377-H381 PolarHBondContact O-N 3.12Å; L378-H381 PolarHBondContact O-N 3.08Å; H381-C383 PolarHBondContact O-N 2.6Å; H381-C383 VanDerWaalsContact O-N 3.07Å; H381-H384 AromaticContact ND1-CD2 3.93Å; H381-H384 AromaticContact ND1-NE2 3.96Å; H381-H384 PolarHBondContact O-CD2 2.65Å; H381-H384 PolarHBondContact O-N 2.9Å; H381-H384 VanDerWaalsContact O-N 3.08Å
382	K	94.4	Very high	92.8	Very high	77 Å²	77	37.7 Å²	37.7	34%	0.335	18%	0.176	S	C	.	.	G	3₁₀ helix	trans	-57.1	-27.2	-178.3	68.5	178	-173.9	167.7	0	113.7	L378 H384 I385 N416 L417 Q421	L378-K382 WeakPolarHBondContact O-CB 3.26Å; L378-K382 PolarHBondContact O-N 3.04Å; K382-H384 PolarHBondContact O-N 3.19Å; K382-I385 WeakPolarHBondContact O-CB 3.44Å; K382-I385 PolarHBondContact O-N 3.1Å; K382-I385 VanDerWaalsContact O-N 3.13Å; K382-N416 PolarHBondContact NZ-O 2.76Å; K382-L417 HydrophobicContact CB-CD2 3.89Å; K382-L417 HydrophobicContact CD-CD2 4.21Å; K382-L417 HydrophobicContact CG-CD2 4.37Å; K382-Q421 PolarHBondContact O-NE2 2.93Å
383	C	95.9	Very high	93.2	Very high	20 Å²	20	33.1 Å²	33.1	14%	0.135	16%	0.155	C	C	.	.	G	3₁₀ helix	trans	-63.5	-25.1	178.5	67.5	0	0	0	0	114.3	H381 I385 R386 F639 C640	H381-C383 PolarHBondContact O-N 2.6Å; H381-C383 VanDerWaalsContact O-N 3.07Å; C383-I385 PolarHBondContact O-N 3.15Å; C383-R386 PolarHBondContact O-NH1 3.21Å; C383-F639 HydrophobicContact CB-CB 4.12Å; C383-F639 WeakPolarHBondContact CB-O 3.49Å; C383-C640 HydrophobicContact CB-CB 3.87Å; C383-C640 WeakPolarHBondContact CB-SG 3.37Å; C383-C640 WeakPolarHBondContact SG-CA 3.41Å; C383-C640 WeakPolarHBondContact SG-CB 3.39Å; C383-C640 CovalentContact SG-SG 2.04Å; C383-C640 PolarHBondContact SG-SG 2.77Å
384	H	97.3	Very high	93.7	Very high	42 Å²	42	32.4 Å²	32.4	19%	0.194	15%	0.152	C	C	.	.	G	3₁₀ helix	trans	-77.2	-12.6	177.7	-63	-79.1	0	0	0	112.7	L355 D358 L359 I360 H381 K382 C640	L355-H384 HydrophobicContact CD2-CB 4.09Å; D358-H384 PolarHBondContact O-ND1 3.4Å; L359-H384 WeakPolarHBondContact CA-O 3.36Å; I360-H384 PolarHBondContact N-O 3.02Å; H381-H384 AromaticContact ND1-CD2 3.93Å; H381-H384 AromaticContact ND1-NE2 3.96Å; H381-H384 PolarHBondContact O-CD2 2.65Å; H381-H384 PolarHBondContact O-N 2.9Å; H381-H384 VanDerWaalsContact O-N 3.08Å; K382-H384 PolarHBondContact O-N 3.19Å; H384-C640 PolarHBondContact CE1-SG 3.19Å
385	I	98.3	Very high	94.1	Very high	1 Å²	1	32.5 Å²	32.5	1%	0.005	15%	0.152	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.4	140.9	-171	-56.9	179.1	0	0	0	110.4	I360 T362 L367 M370 L378 K382 C383 V387 Q421	I360-I385 HydrophobicContact CB-CG1 4.43Å; I360-I385 CarbonylContact O-C 3.54Å; I360-I385 WeakPolarHBondContact O-CA 3.46Å; T362-I385 HydrophobicContact CG2-CG2 3.96Å; L367-I385 HydrophobicContact CD1-CD1 3.83Å; L367-I385 HydrophobicContact CD1-CG2 4.27Å; M370-I385 HydrophobicContact CE-CD1 4.15Å; L378-I385 HydrophobicContact CD1-CD1 3.56Å; K382-I385 WeakPolarHBondContact O-CB 3.44Å; K382-I385 PolarHBondContact O-N 3.1Å; K382-I385 VanDerWaalsContact O-N 3.13Å; C383-I385 PolarHBondContact O-N 3.15Å; I385-V387 HydrophobicContact CG2-CG2 3.74Å; I385-Q421 PolarHBondContact O-NE2 2.05Å
386	R	98.7	Very high	94.9	Very high	6 Å²	6	31.5 Å²	31.5	2%	0.023	14%	0.142	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.7	122.5	167	-60.3	-59.7	179.9	-84	-0.7	107.6	I360 Y361 T362 C383 Q421 M423 Q637 F639	I360-R386 PolarHBondContact O-N 2.77Å; Y361-R386 WeakPolarHBondContact CA-O 3.5Å; Y361-R386 HydrophobicContact CD1-CB 3.6Å; Y361-R386 HydrophobicContact CD1-CG 4.27Å; Y361-R386 HydrophobicContact CE1-CB 3.66Å; Y361-R386 HydrophobicContact CE1-CG 3.88Å; Y361-R386 HydrophobicContact CE2-CG 4.5Å; Y361-R386 HydrophobicContact CG-CB 4.14Å; T362-R386 PolarHBondContact N-O 3.02Å; C383-R386 PolarHBondContact O-NH1 3.21Å; R386-Q421 CarbonylContact C-O 3.28Å; R386-Q421 WeakPolarHBondContact CA-O 3.16Å; R386-M423 HydrophobicContact CB-CE 3.95Å; R386-M423 HydrophobicContact CB-SD 3.71Å; R386-M423 HydrophobicContact CG-CE 3.79Å; R386-M423 HydrophobicContact CG-SD 4.24Å; R386-Q637 PolarHBondContact NH2-O 3.37Å; R386-F639 VanDerWaalsContact CZ-CD2 3.45Å; R386-F639 VanDerWaalsContact CZ-CE2 3.45Å
387	V	98.7	Very high	95.6	Very high	0 Å²	0	29.7 Å²	29.7	0%	0	13%	0.132	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107	110.7	-171.1	-174.6	0	0	0	0	109.4	T362 L367 I385 D389 L417 Q421 Y422 M423	T362-V387 CarbonylContact O-C 3.59Å; T362-V387 WeakPolarHBondContact O-CA 3.16Å; L367-V387 HydrophobicContact CD2-CG2 4.12Å; I385-V387 HydrophobicContact CG2-CG2 3.74Å; V387-D389 PolarHBondContact O-N 2.82Å; V387-L417 HydrophobicContact CG2-CD1 3.63Å; V387-Q421 PolarHBondContact N-O 2.94Å; V387-Y422 HydrophobicContact CB-CD1 3.82Å; V387-Y422 HydrophobicContact CB-CE1 4.14Å; V387-Y422 HydrophobicContact CG1-CD1 3.99Å; V387-Y422 HydrophobicContact CG1-CE1 4.13Å; V387-Y422 HydrophobicContact CG2-CD1 4.48Å; V387-Y422 HydrophobicContact CG2-CE1 4.41Å; V387-Y422 CarbonylContact O-C 3.51Å; V387-Y422 WeakPolarHBondContact O-CA 3.47Å; V387-M423 PolarHBondContact O-N 3.37Å
388	I	98.4	Very high	96	Very high	10 Å²	10	29.5 Å²	29.5	5%	0.051	13%	0.13	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-70.2	111.4	173.7	-53.5	-49.8	0	0	0	108.5	Q312 W313 I316 Y361 T362 M423 M435	Q312-I388 HydrophobicContact CG-CG2 4.27Å; W313-I388 HydrophobicContact CE3-CG1 4.46Å; W313-I388 HydrophobicContact CH2-CB 4.06Å; W313-I388 HydrophobicContact CH2-CG1 3.29Å; W313-I388 HydrophobicContact CZ2-CB 3.69Å; W313-I388 HydrophobicContact CZ2-CG1 3.46Å; W313-I388 VanDerWaalsContact CZ2-CG1 3.46Å; W313-I388 HydrophobicContact CZ2-CG2 4.35Å; W313-I388 HydrophobicContact CZ3-CG1 3.81Å; I316-I388 HydrophobicContact CD1-CD1 3.55Å; I316-I388 HydrophobicContact CD1-CG1 3.82Å; I316-I388 HydrophobicContact CD1-CG2 4.47Å; Y361-I388 HydrophobicContact CD1-CD1 4.26Å; T362-I388 PolarHBondContact O-N 3.39Å; I388-M423 HydrophobicContact CD1-CB 3.73Å; I388-M423 HydrophobicContact CD1-SD 4.1Å; I388-M435 HydrophobicContact CD1-CE 4.09Å; I388-M435 HydrophobicContact CD1-CG 4.26Å
389	D	97.6	Very high	96.4	Very high	13 Å²	13	29 Å²	29	7%	0.07	13%	0.127	C	C	.	.			trans	-135.8	98.7	-176	171.5	13.5	0	0	0	108.9	Y364 V387 F391 G392 T393 Y422 M423 T424	Y364-D389 HydrophobicContact CE2-CB 4.02Å; Y364-D389 PolarHBondContact OH-OD2 3.45Å; V387-D389 PolarHBondContact O-N 2.82Å; D389-F391 VanDerWaalsContact C-N 3.26Å; D389-F391 PolarHBondContact O-N 3.26Å; D389-F391 VanDerWaalsContact O-N 3.14Å; D389-F391 PolarHBondContact OD1-N 3.03Å; D389-G392 PolarHBondContact O-N 3.47Å; D389-G392 PolarHBondContact OD1-N 3.07Å; D389-G392 WeakPolarHBondContact OD2-CA 3.47Å; D389-G392 PolarHBondContact OD2-N 3.17Å; D389-T393 PolarHBondContact OD2-N 3.03Å; D389-T393 PolarHBondContact OD2-OG1 2.95Å; D389-Y422 HydrophobicContact CB-CD1 4.26Å; D389-M423 CarbonylContact C-O 3.27Å; D389-M423 PolarHBondContact N-O 3.25Å; D389-T424 VanDerWaalsContact O-CA 3.28Å; D389-T424 WeakPolarHBondContact O-CA 3.46Å
390	T	95.4	Very high	96.9	Very high	20 Å²	20	23.6 Å²	23.6	12%	0.123	11%	0.111	C	C	.	.	T	Hydrogen-bonded Turn	trans	-50.5	-42.6	-173.3	-58.4	0	0	0	0	113.7	M425 H428	T390-M425 HydrophobicContact CG2-CB 3.74Å; T390-M425 HydrophobicContact CG2-CE 4.3Å; T390-M425 HydrophobicContact CG2-CG 4.34Å; T390-M425 PolarHBondContact O-N 2.97Å; T390-H428 PolarHBondContact O-NE2 2.73Å; T390-H428 VanDerWaalsContact O-NE2 3.14Å
391	F	96.9	Very high	97.3	Very high	22 Å²	22	24.1 Å²	24.1	10%	0.096	12%	0.115	C	C	.	.	T	Hydrogen-bonded Turn	trans	-102.5	-9.8	-171.1	-68.5	-79	0	0	0	114.1	D389 H428 F564 F565 K568	D389-F391 VanDerWaalsContact C-N 3.26Å; D389-F391 PolarHBondContact O-N 3.26Å; D389-F391 VanDerWaalsContact O-N 3.14Å; D389-F391 PolarHBondContact OD1-N 3.03Å; F391-H428 VanDerWaalsContact C-CE1 3.44Å; F391-H428 PolarHBondContact O-CE1 3.28Å; F391-F564 AromaticContact CE1-CE1 3.98Å; F391-F564 HydrophobicContact CE1-CE1 3.98Å; F391-F564 HydrophobicContact CE1-CZ 4.44Å; F391-F564 HydrophobicContact CE2-CE1 4.16Å; F391-F564 AromaticContact CE2-CZ 3.94Å; F391-F564 HydrophobicContact CE2-CZ 3.94Å; F391-F564 AromaticContact CZ-CE1 3.6Å; F391-F564 HydrophobicContact CZ-CE1 3.6Å; F391-F564 AromaticContact CZ-CZ 3.62Å; F391-F564 HydrophobicContact CZ-CZ 3.62Å; F391-F565 HydrophobicContact CD1-CE1 4.22Å; F391-F565 HydrophobicContact CE1-CE1 4.21Å; F391-K568 HydrophobicContact CB-CD 4.36Å; F391-K568 HydrophobicContact CD2-CD 4.33Å; F391-K568 HydrophobicContact CG-CD 4.24Å
392	G	97.8	Very high	97.6	Very high	0 Å²	0	23.3 Å²	23.3	0%	0	11%	0.111	C	C	.	.			trans	84.9	161.4	176.8	0	0	0	0	0	114.3	D389 N432	D389-G392 PolarHBondContact O-N 3.47Å; D389-G392 PolarHBondContact OD1-N 3.07Å; D389-G392 WeakPolarHBondContact OD2-CA 3.47Å; D389-G392 PolarHBondContact OD2-N 3.17Å; G392-N432 WeakPolarHBondContact CA-OD1 3.41Å
393	T	98.6	Very high	97.7	Very high	1 Å²	1	19.6 Å²	19.6	1%	0.006	10%	0.095	C	C	.	.			trans	-129.1	117.1	-177.5	-65.6	0	0	0	0	109.4	Y364 D389 N398 Y422 N432 P569	Y364-T393 PolarHBondContact OH-OG1 2.97Å; D389-T393 PolarHBondContact OD2-N 3.03Å; D389-T393 PolarHBondContact OD2-OG1 2.95Å; T393-N398 HydrophobicContact CG2-CB 3.79Å; T393-Y422 HydrophobicContact CG2-CD2 4.2Å; T393-Y422 HydrophobicContact CG2-CE1 4.37Å; T393-Y422 HydrophobicContact CG2-CE2 3.79Å; T393-N432 PolarHBondContact N-OD1 3.14Å; T393-N432 PolarHBondContact O-ND2 3.11Å; T393-N432 PolarHBondContact O-OD1 3.31Å; T393-P569 WeakPolarHBondContact CA-O 3.42Å; T393-P569 HydrophobicContact CG2-CB 4.13Å; T393-P569 HydrophobicContact CG2-CG 4.27Å; T393-P569 WeakPolarHBondContact OG1-CG 3.44Å
394	E	98.6	Very high	97.8	Very high	15 Å²	15	22.7 Å²	22.7	7%	0.07	11%	0.113	C	C	.	.			trans	-82.4	147	175.6	-74	167.2	-165.3	0	0	111.3	A396 Y397 N398 T429 P569 T570 S571 R572 A763	E394-A396 PolarHBondContact O-N 2.96Å; E394-A396 VanDerWaalsContact O-N 3.13Å; E394-Y397 HydrophobicContact CB-CD2 4.01Å; E394-Y397 PolarHBondContact O-N 3.07Å; E394-N398 PolarHBondContact O-N 3.02Å; E394-N398 VanDerWaalsContact O-N 3.16Å; E394-T429 HydrophobicContact CG-CG2 4.4Å; E394-P569 PolarHBondContact N-O 3.36Å; E394-T570 VanDerWaalsContact CD-OG1 3.31Å; E394-T570 PolarHBondContact OE1-OG1 2.97Å; E394-S571 VanDerWaalsContact CD-N 3.35Å; E394-S571 PolarHBondContact OE1-N 3.31Å; E394-S571 WeakPolarHBondContact OE2-CB 3.4Å; E394-S571 PolarHBondContact OE2-N 3.31Å; E394-R572 PolarHBondContact OE1-N 3.13Å; E394-A763 HydrophobicContact CB-CB 4.47Å; E394-A763 HydrophobicContact CG-CB 3.73Å
395	P	98.4	Very high	97.8	Very high	3 Å²	3	27.2 Å²	27.2	2%	0.019	14%	0.138	C	C	.	.	H	α-helix	trans	-52	-38.8	-177.2	-32	38.6	0	0	0	114.5	Y397 N398 H399 D431 F760	P395-Y397 PolarHBondContact O-N 3.45Å; P395-Y397 VanDerWaalsContact O-N 3.16Å; P395-N398 PolarHBondContact O-N 2.83Å; P395-N398 VanDerWaalsContact O-N 3.1Å; P395-H399 PolarHBondContact O-N 3.2Å; P395-D431 HydrophobicContact CG-CB 4.25Å; P395-F760 VanDerWaalsContact CG-O 3.26Å; P395-F760 WeakPolarHBondContact CG-O 3.47Å
396	A	97.9	Very high	97.6	Very high	2 Å²	2	31.4 Å²	31.4	2%	0.017	16%	0.158	C	C	.	.	H	α-helix	trans	-60.4	-24.2	178.3	0	0	0	0	0	114.2	E394 Y402 A403 Y408 H739	E394-A396 PolarHBondContact O-N 2.96Å; E394-A396 VanDerWaalsContact O-N 3.13Å; A396-Y402 HydrophobicContact CB-CE1 4.21Å; A396-A403 WeakPolarHBondContact O-CB 3.2Å; A396-Y408 HydrophobicContact CB-CD1 4.06Å; A396-Y408 HydrophobicContact CB-CD2 4.05Å; A396-Y408 HydrophobicContact CB-CE1 3.92Å; A396-Y408 HydrophobicContact CB-CE2 3.93Å; A396-Y408 HydrophobicContact CB-CG 4.12Å; A396-Y408 WeakPolarHBondContact O-CB 3.32Å; A396-H739 HydrophobicContact CB-CB 4.31Å
397	Y	98.3	Very high	97.5	Very high	13 Å²	13	33.4 Å²	33.4	5%	0.051	18%	0.18	C	C	.	.	H	α-helix	trans	-100.4	-19.6	176.5	-63.7	-94.5	0	0	0	112.8	E394 P395 Y408 T410 Y414 P569 S571	E394-Y397 HydrophobicContact CB-CD2 4.01Å; E394-Y397 PolarHBondContact O-N 3.07Å; P395-Y397 PolarHBondContact O-N 3.45Å; P395-Y397 VanDerWaalsContact O-N 3.16Å; Y397-Y408 HydrophobicContact CD1-CD1 4.41Å; Y397-Y408 HydrophobicContact CD2-CD1 4.31Å; Y397-Y408 AromaticContact CE1-CD1 3.98Å; Y397-Y408 HydrophobicContact CE1-CD1 3.98Å; Y397-Y408 AromaticContact CE2-CD1 3.85Å; Y397-Y408 HydrophobicContact CE2-CD1 3.85Å; Y397-Y408 HydrophobicContact CE2-CE1 4.4Å; Y397-Y408 AromaticContact CZ-CD1 3.68Å; Y397-T410 HydrophobicContact CD1-CG2 4.23Å; Y397-Y414 PolarHBondContact O-N 3.49Å; Y397-P569 WeakPolarHBondContact CD2-O 3.17Å; Y397-P569 VanDerWaalsContact CG-C 3.47Å; Y397-P569 HydrophobicContact CG-CB 4.24Å; Y397-S571 PolarHBondContact OH-OG 3.48Å
398	N	98.4	Very high	97.3	Very high	1 Å²	1	36 Å²	36	1%	0.005	19%	0.19	C	C	.	.	H	α-helix	trans	-78.4	-41.6	178.3	167.3	59.8	0	0	0	112.4	T393 E394 P395 E400 Y414 W415 N416 L417 Y422	T393-N398 HydrophobicContact CG2-CB 3.79Å; E394-N398 PolarHBondContact O-N 3.02Å; E394-N398 VanDerWaalsContact O-N 3.16Å; P395-N398 PolarHBondContact O-N 2.83Å; P395-N398 VanDerWaalsContact O-N 3.1Å; N398-E400 PolarHBondContact O-N 3.26Å; N398-Y414 CarbonylContact O-C 3.53Å; N398-Y414 VanDerWaalsContact O-CA 3.24Å; N398-Y414 WeakPolarHBondContact O-CA 3.47Å; N398-W415 PolarHBondContact O-N 2.87Å; N398-W415 VanDerWaalsContact O-N 3.12Å; N398-N416 PolarHBondContact O-N 3.01Å; N398-N416 VanDerWaalsContact O-N 3.1Å; N398-N416 PolarHBondContact O-OD1 3.25Å; N398-N416 PolarHBondContact OD1-N 3.24Å; N398-N416 VanDerWaalsContact OD1-N 3.1Å; N398-L417 PolarHBondContact ND2-O 3.15Å; N398-L417 PolarHBondContact OD1-N 3.43Å; N398-L417 VanDerWaalsContact OD1-N 3.08Å; N398-Y422 HydrophobicContact CB-CE2 4.49Å; N398-Y422 PolarHBondContact OD1-OH 3.44Å; N398-Y422 VanDerWaalsContact OD1-OH 3.04Å
399	H	98.2	Very high	97.1	Very high	10 Å²	10	45.1 Å²	45.1	5%	0.046	22%	0.224	C	C	.	.	S	Bend	trans	-77.3	106.6	-177	-171.2	-52.9	0	0	0	110.7	P395 E401 Y402 A403 N416 D756 L759	P395-H399 PolarHBondContact O-N 3.2Å; H399-E401 PolarHBondContact O-N 3.45Å; H399-Y402 WeakPolarHBondContact ND1-CB 3.39Å; H399-Y402 PolarHBondContact ND1-N 2.95Å; H399-Y402 PolarHBondContact O-N 3.03Å; H399-A403 WeakPolarHBondContact O-CB 3.44Å; H399-A403 PolarHBondContact O-N 3.22Å; H399-N416 VanDerWaalsContact CA-OD1 3.31Å; H399-N416 WeakPolarHBondContact CA-OD1 3.37Å; H399-D756 IonicContact NE2-OD2 3.78Å; H399-D756 PolarHBondContact NE2-OD2 2.62Å; H399-L759 HydrophobicContact CB-CD2 3.62Å; H399-L759 HydrophobicContact CB-CG 4.4Å
400	E	96.8	Very high	97	Very high	90 Å²	90	44.8 Å²	44.8	42%	0.421	22%	0.222	S	C	.	.	H	α-helix	trans	-57.1	-52.2	-169	-179.2	173.1	-151.6	0	0	113.8	N398 T404 N416	N398-E400 PolarHBondContact O-N 3.26Å; E400-T404 WeakPolarHBondContact O-CB 3.49Å; E400-T404 PolarHBondContact O-N 3.2Å; E400-T404 PolarHBondContact O-OG1 3.09Å; E400-N416 PolarHBondContact N-OD1 3.23Å
401	E	97	Very high	96.9	Very high	134 Å²	134	50.1 Å²	50.1	63%	0.626	25%	0.25	S	S	*	.	H	α-helix	trans	-64.7	-52.6	-178.6	-179.3	175.4	-172.7	0	0	111.3	H399 A403 T404 L405	H399-E401 PolarHBondContact O-N 3.45Å; E401-A403 VanDerWaalsContact C-N 3.34Å; E401-A403 PolarHBondContact O-N 2.84Å; E401-T404 PolarHBondContact O-N 3.47Å; E401-L405 WeakPolarHBondContact O-CB 3.35Å; E401-L405 PolarHBondContact O-N 2.92Å
402	Y	97.8	Very high	96.8	Very high	9 Å²	9	53.9 Å²	53.9	4%	0.035	26%	0.264	C	S	.	.	H	α-helix	trans	-53.8	-48.4	175.6	-173.7	-95.8	0	0	0	112.7	A396 H399 T404 L405 H406 Y408 M737 N738 H739 L759	A396-Y402 HydrophobicContact CB-CE1 4.21Å; H399-Y402 WeakPolarHBondContact ND1-CB 3.39Å; H399-Y402 PolarHBondContact ND1-N 2.95Å; H399-Y402 PolarHBondContact O-N 3.03Å; Y402-T404 VanDerWaalsContact C-N 3.35Å; Y402-T404 PolarHBondContact O-N 2.93Å; Y402-L405 PolarHBondContact O-N 3.3Å; Y402-H406 AromaticContact CD2-CE1 3.46Å; Y402-H406 VanDerWaalsContact CD2-CE1 3.46Å; Y402-H406 WeakPolarHBondContact CD2-CE1 3.31Å; Y402-H406 AromaticContact CD2-ND1 3.48Å; Y402-H406 WeakPolarHBondContact CD2-ND1 3.33Å; Y402-H406 HydrophobicContact CE1-CB 4.45Å; Y402-H406 AromaticContact CE2-CE1 3.15Å; Y402-H406 WeakPolarHBondContact CE2-CE1 3.24Å; Y402-H406 AromaticContact CE2-ND1 3.36Å; Y402-H406 WeakPolarHBondContact CE2-ND1 3.34Å; Y402-H406 AromaticContact CE2-NE2 3.68Å; Y402-H406 AromaticContact CG-ND1 3.85Å; Y402-H406 AromaticContact CZ-CE1 3.79Å; Y402-H406 AromaticContact CZ-CG 3.87Å; Y402-H406 AromaticContact CZ-ND1 3.67Å; Y402-H406 WeakPolarHBondContact O-CB 3.34Å; Y402-H406 PolarHBondContact O-N 3.44Å; Y402-H406 PolarHBondContact O-ND1 2.84Å; Y402-Y408 HydrophobicContact CD1-CD2 4.39Å; Y402-Y408 HydrophobicContact CD1-CE2 4.43Å; Y402-Y408 HydrophobicContact CE1-CD2 4.12Å; Y402-Y408 AromaticContact CE1-CE2 3.73Å; Y402-Y408 HydrophobicContact CE1-CE2 3.73Å; Y402-M737 VanDerWaalsContact CE2-O 3.28Å; Y402-M737 WeakPolarHBondContact CE2-O 3.29Å; Y402-N738 PolarHBondContact OH-OD1 2.87Å; Y402-H739 HydrophobicContact CE1-CB 4.14Å; Y402-H739 AromaticContact CE1-ND1 3.56Å; Y402-H739 AromaticContact CZ-ND1 3.52Å; Y402-H739 PolarHBondContact OH-N 2.76Å; Y402-H739 PolarHBondContact OH-ND1 3.49Å; Y402-L759 HydrophobicContact CD1-CD2 3.67Å; Y402-L759 HydrophobicContact CD2-CD1 3.59Å; Y402-L759 HydrophobicContact CD2-CD2 4.06Å; Y402-L759 HydrophobicContact CE1-CD2 4.26Å; Y402-L759 HydrophobicContact CE2-CD1 4.17Å; Y402-L759 HydrophobicContact CG-CD1 3.91Å; Y402-L759 HydrophobicContact CG-CD2 3.56Å; Y402-L759 HydrophobicContact CG-CG 4.41Å
403	A	97.6	Very high	96.7	Very high	0 Å²	0	54.2 Å²	54.2	0%	0	27%	0.267	C	S	.	.	H	α-helix	trans	-64.3	-41.1	-177.7	0	0	0	0	0	111.8	A396 H399 E401 G407 Y408 Y414	A396-A403 WeakPolarHBondContact O-CB 3.2Å; H399-A403 WeakPolarHBondContact O-CB 3.44Å; H399-A403 PolarHBondContact O-N 3.22Å; E401-A403 VanDerWaalsContact C-N 3.34Å; E401-A403 PolarHBondContact O-N 2.84Å; A403-G407 PolarHBondContact O-N 3.34Å; A403-Y408 PolarHBondContact O-N 2.87Å; A403-Y414 HydrophobicContact CB-CD1 3.81Å; A403-Y414 HydrophobicContact CB-CE1 3.5Å; A403-Y414 VanDerWaalsContact CB-CE1 3.5Å
404	T	96.4	Very high	96.6	Very high	84 Å²	84	56 Å²	56	52%	0.515	27%	0.274	S	S	.	.	H	α-helix	trans	-64.7	-45.7	176.7	-58.4	0	0	0	0	111.2	E400 E401 Y402	E400-T404 WeakPolarHBondContact O-CB 3.49Å; E400-T404 PolarHBondContact O-N 3.2Å; E400-T404 PolarHBondContact O-OG1 3.09Å; E401-T404 PolarHBondContact O-N 3.47Å; Y402-T404 VanDerWaalsContact C-N 3.35Å; Y402-T404 PolarHBondContact O-N 2.93Å
405	L	97.1	Very high	96.5	Very high	137 Å²	137	57 Å²	57	72%	0.717	28%	0.277	S	S	*	.	H	α-helix	trans	-64.7	-40.5	-179.5	-178.1	62.8	0	0	0	112.4	E401 Y402	E401-L405 WeakPolarHBondContact O-CB 3.35Å; E401-L405 PolarHBondContact O-N 2.92Å; Y402-L405 PolarHBondContact O-N 3.3Å
406	H	95.9	Very high	96.4	Very high	90 Å²	90	58.7 Å²	58.7	42%	0.417	29%	0.286	S	S	.	.	H	α-helix	trans	-97.1	3.9	-174.4	-63.5	82.8	0	0	0	113.9	Y402 Y408	Y402-H406 AromaticContact CD2-CE1 3.46Å; Y402-H406 VanDerWaalsContact CD2-CE1 3.46Å; Y402-H406 WeakPolarHBondContact CD2-CE1 3.31Å; Y402-H406 AromaticContact CD2-ND1 3.48Å; Y402-H406 WeakPolarHBondContact CD2-ND1 3.33Å; Y402-H406 HydrophobicContact CE1-CB 4.45Å; Y402-H406 AromaticContact CE2-CE1 3.15Å; Y402-H406 WeakPolarHBondContact CE2-CE1 3.24Å; Y402-H406 AromaticContact CE2-ND1 3.36Å; Y402-H406 WeakPolarHBondContact CE2-ND1 3.34Å; Y402-H406 AromaticContact CE2-NE2 3.68Å; Y402-H406 AromaticContact CG-ND1 3.85Å; Y402-H406 AromaticContact CZ-CE1 3.79Å; Y402-H406 AromaticContact CZ-CG 3.87Å; Y402-H406 AromaticContact CZ-ND1 3.67Å; Y402-H406 WeakPolarHBondContact O-CB 3.34Å; Y402-H406 PolarHBondContact O-N 3.44Å; Y402-H406 PolarHBondContact O-ND1 2.84Å; H406-Y408 HydrophobicContact CB-CD2 3.67Å; H406-Y408 HydrophobicContact CB-CE2 3.58Å
407	G	95.3	Very high	96.4	Very high	48 Å²	48	58.8 Å²	58.8	50%	0.495	29%	0.287	S	S	.	.	T	Hydrogen-bonded Turn	trans	76.5	21	174.8	0	0	0	0	0	115.2	A403 R409	A403-G407 PolarHBondContact O-N 3.34Å; G407-R409 VanDerWaalsContact C-N 3.31Å; G407-R409 PolarHBondContact O-N 3.11Å
408	Y	95.6	Very high	96.3	Very high	53 Å²	53	60.2 Å²	60.2	21%	0.208	29%	0.293	C	S	.	.			trans	-75	80.9	173.5	-69.6	-77.1	0	0	0	110.9	A396 Y397 Y402 A403 H406 Y414 H739	A396-Y408 HydrophobicContact CB-CD1 4.06Å; A396-Y408 HydrophobicContact CB-CD2 4.05Å; A396-Y408 HydrophobicContact CB-CE1 3.92Å; A396-Y408 HydrophobicContact CB-CE2 3.93Å; A396-Y408 HydrophobicContact CB-CG 4.12Å; A396-Y408 WeakPolarHBondContact O-CB 3.32Å; Y397-Y408 HydrophobicContact CD1-CD1 4.41Å; Y397-Y408 HydrophobicContact CD2-CD1 4.31Å; Y397-Y408 AromaticContact CE1-CD1 3.98Å; Y397-Y408 HydrophobicContact CE1-CD1 3.98Å; Y397-Y408 AromaticContact CE2-CD1 3.85Å; Y397-Y408 HydrophobicContact CE2-CD1 3.85Å; Y397-Y408 HydrophobicContact CE2-CE1 4.4Å; Y397-Y408 AromaticContact CZ-CD1 3.68Å; Y402-Y408 HydrophobicContact CD1-CD2 4.39Å; Y402-Y408 HydrophobicContact CD1-CE2 4.43Å; Y402-Y408 HydrophobicContact CE1-CD2 4.12Å; Y402-Y408 AromaticContact CE1-CE2 3.73Å; Y402-Y408 HydrophobicContact CE1-CE2 3.73Å; A403-Y408 PolarHBondContact O-N 2.87Å; H406-Y408 HydrophobicContact CB-CD2 3.67Å; H406-Y408 HydrophobicContact CB-CE2 3.58Å; Y408-Y414 PolarHBondContact O-OH 2.99Å; Y408-H739 AromaticContact CZ-CE1 3.91Å; Y408-H739 PolarHBondContact OH-CE1 2.8Å; Y408-H739 PolarHBondContact OH-NE2 3.48Å
409	R	93.3	Very high	96.3	Very high	202 Å²	202	60.9 Å²	60.9	76%	0.762	30%	0.301	S	S	*	.			trans	-77.8	129.3	-177.5	-63.5	-177.7	-176.5	-174.6	0.3	112	G407	G407-R409 VanDerWaalsContact C-N 3.31Å; G407-R409 PolarHBondContact O-N 3.11Å
410	T	95.1	Very high	96.3	Very high	6 Å²	6	61 Å²	61	4%	0.037	30%	0.301	C	S	.	.			trans	-145.5	156.2	175.7	176.9	0	0	0	0	111.8	Y397 W412 G413 Y414 G567 P569	Y397-T410 HydrophobicContact CD1-CG2 4.23Å; T410-W412 PolarHBondContact OG1-N 3.31Å; T410-G413 PolarHBondContact OG1-N 2.84Å; T410-Y414 HydrophobicContact CG2-CD1 4.26Å; T410-Y414 HydrophobicContact CG2-CD2 4.29Å; T410-Y414 HydrophobicContact CG2-CE1 3.79Å; T410-Y414 HydrophobicContact CG2-CE2 3.83Å; T410-Y414 PolarHBondContact N-OH 3.47Å; T410-G567 WeakPolarHBondContact CA-O 3.46Å; T410-G567 PolarHBondContact OG1-O 3.22Å; T410-P569 HydrophobicContact CG2-CB 4.33Å; T410-P569 WeakPolarHBondContact OG1-CB 3.4Å
411	N	94.3	Very high	96.3	Very high	133 Å²	133	56.9 Å²	56.9	71%	0.711	28%	0.282	S	S	*	.	S	Bend	trans	-91.8	-8.3	171.3	-62.8	-21	0	0	0	112.8	G567	N411-G567 PolarHBondContact N-O 2.93Å
412	W	95.1	Very high	96.4	Very high	101 Å²	101	50.5 Å²	50.5	38%	0.383	25%	0.252	S	S	.	.	S	Bend	trans	-127.8	-24.8	-167.2	-55.1	97.3	0	0	0	114.3	Y364 T410 W415 P569	Y364-W412 AromaticContact CD2-CE3 3.94Å; Y364-W412 HydrophobicContact CD2-CE3 3.94Å; Y364-W412 HydrophobicContact CE1-CB 4.27Å; Y364-W412 WeakPolarHBondContact CE1-O 3.28Å; Y364-W412 HydrophobicContact CE2-CB 4.21Å; Y364-W412 HydrophobicContact CG-CE3 4.02Å; T410-W412 PolarHBondContact OG1-N 3.31Å; W412-W415 VanDerWaalsContact O-CD1 3.23Å; W412-W415 PolarHBondContact O-NE1 3.39Å; W412-P569 HydrophobicContact CB-CG 4.07Å
413	G	94.4	Very high	96.5	Very high	7 Å²	7	50 Å²	50	7%	0.072	25%	0.25	C	S	.	.			trans	-77.9	-151.3	-176.9	0	0	0	0	0	115.3	T410 W415	T410-G413 PolarHBondContact OG1-N 2.84Å; G413-W415 PolarHBondContact O-NE1 3.15Å
414	Y	96.6	Very high	96.5	Very high	38 Å²	38	50.1 Å²	50.1	15%	0.149	25%	0.251	C	S	.	.			trans	66.9	36.7	-179.7	-39.9	-51.4	0	0	0	116	Y397 N398 A403 Y408 T410	Y397-Y414 PolarHBondContact O-N 3.49Å; N398-Y414 CarbonylContact O-C 3.53Å; N398-Y414 VanDerWaalsContact O-CA 3.24Å; N398-Y414 WeakPolarHBondContact O-CA 3.47Å; A403-Y414 HydrophobicContact CB-CD1 3.81Å; A403-Y414 HydrophobicContact CB-CE1 3.5Å; A403-Y414 VanDerWaalsContact CB-CE1 3.5Å; Y408-Y414 PolarHBondContact O-OH 2.99Å; T410-Y414 HydrophobicContact CG2-CD1 4.26Å; T410-Y414 HydrophobicContact CG2-CD2 4.29Å; T410-Y414 HydrophobicContact CG2-CE1 3.79Å; T410-Y414 HydrophobicContact CG2-CE2 3.83Å; T410-Y414 PolarHBondContact N-OH 3.47Å
415	W	96.6	Very high	96.6	Very high	35 Å²	35	46.3 Å²	46.3	13%	0.133	23%	0.227	C	C	.	.			trans	-100.3	-13	-178	-67	99.9	0	0	0	114.5	Y364 L367 Q368 K371 N398 W412 G413 L417 Y422	Y364-W415 AromaticContact CD1-NE1 3.54Å; Y364-W415 AromaticContact CE1-CD1 3.8Å; Y364-W415 AromaticContact CE1-NE1 3.59Å; L367-W415 HydrophobicContact CB-CH2 4.32Å; L367-W415 HydrophobicContact CB-CZ3 4.43Å; L367-W415 HydrophobicContact CD1-CE3 4.47Å; L367-W415 HydrophobicContact CD1-CZ3 4.48Å; L367-W415 HydrophobicContact CD2-CB 4.34Å; L367-W415 HydrophobicContact CD2-CD2 3.3Å; L367-W415 HydrophobicContact CD2-CE3 3.41Å; L367-W415 VanDerWaalsContact CD2-CE3 3.41Å; L367-W415 HydrophobicContact CD2-CG 3.71Å; L367-W415 HydrophobicContact CD2-CH2 4.2Å; L367-W415 HydrophobicContact CD2-CZ2 4.13Å; L367-W415 HydrophobicContact CD2-CZ3 3.85Å; L367-W415 HydrophobicContact CG-CD2 4Å; L367-W415 HydrophobicContact CG-CE3 3.63Å; L367-W415 HydrophobicContact CG-CH2 3.89Å; L367-W415 HydrophobicContact CG-CZ2 4.25Å; L367-W415 HydrophobicContact CG-CZ3 3.54Å; Q368-W415 HydrophobicContact CB-CH2 4.23Å; K371-W415 HydrophobicContact CB-CH2 4.37Å; K371-W415 HydrophobicContact CB-CZ3 4.05Å; K371-W415 HydrophobicContact CD-CH2 3.93Å; K371-W415 HydrophobicContact CD-CZ3 3.61Å; K371-W415 HydrophobicContact CG-CZ3 4.34Å; N398-W415 PolarHBondContact O-N 2.87Å; N398-W415 VanDerWaalsContact O-N 3.12Å; W412-W415 VanDerWaalsContact O-CD1 3.23Å; W412-W415 PolarHBondContact O-NE1 3.39Å; G413-W415 PolarHBondContact O-NE1 3.15Å; W415-L417 HydrophobicContact CB-CD1 4.22Å; W415-L417 HydrophobicContact CB-CG 3.94Å; W415-L417 PolarHBondContact O-N 3.1Å; W415-Y422 WeakPolarHBondContact CB-OH 3.48Å
416	N	96.8	Very high	96.7	Very high	40 Å²	40	39.8 Å²	39.8	21%	0.214	19%	0.193	C	C	.	.			trans	50.9	40.2	-178.1	-52.8	-48.6	0	0	0	112.2	K382 N398 H399 E400 L758	K382-N416 PolarHBondContact NZ-O 2.76Å; N398-N416 PolarHBondContact O-N 3.01Å; N398-N416 VanDerWaalsContact O-N 3.1Å; N398-N416 PolarHBondContact O-OD1 3.25Å; N398-N416 PolarHBondContact OD1-N 3.24Å; N398-N416 VanDerWaalsContact OD1-N 3.1Å; H399-N416 VanDerWaalsContact CA-OD1 3.31Å; H399-N416 WeakPolarHBondContact CA-OD1 3.37Å; E400-N416 PolarHBondContact N-OD1 3.23Å; N416-L758 HydrophobicContact CB-CD1 4.33Å
417	L	97.2	Very high	96.7	Very high	4 Å²	4	36.2 Å²	36.2	2%	0.021	18%	0.178	C	C	.	.			trans	-88.6	159.1	172.7	-64.9	-179.5	0	0	0	110	L367 K382 V387 N398 W415 G419 Q421 Y422	L367-L417 HydrophobicContact CD2-CD1 4.03Å; K382-L417 HydrophobicContact CB-CD2 3.89Å; K382-L417 HydrophobicContact CD-CD2 4.21Å; K382-L417 HydrophobicContact CG-CD2 4.37Å; V387-L417 HydrophobicContact CG2-CD1 3.63Å; N398-L417 PolarHBondContact ND2-O 3.15Å; N398-L417 PolarHBondContact OD1-N 3.43Å; N398-L417 VanDerWaalsContact OD1-N 3.08Å; W415-L417 HydrophobicContact CB-CD1 4.22Å; W415-L417 HydrophobicContact CB-CG 3.94Å; W415-L417 PolarHBondContact O-N 3.1Å; L417-G419 PolarHBondContact O-N 2.82Å; L417-Q421 HydrophobicContact CB-CB 4.5Å; L417-Y422 HydrophobicContact CB-CE2 4.05Å; L417-Y422 HydrophobicContact CD1-CE1 4.24Å
418	H	97.1	Very high	96.8	Very high	42 Å²	42	35.4 Å²	35.4	19%	0.194	16%	0.161	C	C	.	.			trans	-65.8	134.9	167.3	-174.1	-83.9	0	0	0	109	Q420 Q421 F639	H418-Q420 PolarHBondContact CE1-OE1 3.33Å; H418-Q420 PolarHBondContact ND1-N 2.95Å; H418-Q420 PolarHBondContact O-N 3.41Å; H418-Q420 VanDerWaalsContact O-N 3.11Å; H418-Q421 HydrophobicContact CB-CG 4.11Å; H418-Q421 VanDerWaalsContact O-CB 3.25Å; H418-Q421 WeakPolarHBondContact O-CB 3.33Å; H418-Q421 WeakPolarHBondContact O-CG 3.09Å; H418-Q421 PolarHBondContact O-N 3.47Å; H418-F639 HydrophobicContact CB-CD1 4.13Å; H418-F639 HydrophobicContact CB-CE1 4.47Å; H418-F639 AromaticContact CE1-CE1 3.72Å; H418-F639 AromaticContact CG-CD1 3.84Å; H418-F639 AromaticContact CG-CE1 3.92Å; H418-F639 AromaticContact ND1-CD1 3.71Å; H418-F639 AromaticContact ND1-CE1 3.29Å; H418-F639 VanDerWaalsContact ND1-CE1 3.29Å; H418-F639 WeakPolarHBondContact ND1-CE1 3.44Å
419	G	97.5	Very high	96.9	Very high	15 Å²	15	33.1 Å²	33.1	16%	0.155	15%	0.153	C	C	.	.	G	3₁₀ helix	trans	-54.3	-37.5	-170.9	0	0	0	0	0	113.9	L417 Q421 Y422 D431 N432	L417-G419 PolarHBondContact O-N 2.82Å; G419-Q421 PolarHBondContact O-N 2.94Å; G419-Y422 WeakPolarHBondContact O-CD2 3.46Å; G419-Y422 PolarHBondContact O-N 3.12Å; G419-D431 CarbonylContact C-O 3.37Å; G419-D431 WeakPolarHBondContact CA-O 3.31Å; G419-D431 VanDerWaalsContact O-O 3.14Å; G419-N432 WeakPolarHBondContact O-CA 3.32Å; G419-N432 PolarHBondContact O-ND2 2.65Å
420	Q	98	Very high	97.2	Very high	12 Å²	12	24.4 Å²	24.4	6%	0.056	12%	0.122	C	C	.	.	G	3₁₀ helix	trans	-73.3	-5.8	179.1	-65.6	-178.2	-44.1	0	0	114.6	H418 Y422 D431 S433 F639 E710 P711	H418-Q420 PolarHBondContact CE1-OE1 3.33Å; H418-Q420 PolarHBondContact ND1-N 2.95Å; H418-Q420 PolarHBondContact O-N 3.41Å; H418-Q420 VanDerWaalsContact O-N 3.11Å; Q420-Y422 VanDerWaalsContact C-N 3.28Å; Q420-D431 PolarHBondContact N-O 2.96Å; Q420-S433 WeakPolarHBondContact O-CB 3.4Å; Q420-S433 PolarHBondContact O-OG 3.14Å; Q420-F639 HydrophobicContact CB-CE1 4.11Å; Q420-F639 HydrophobicContact CB-CZ 3.77Å; Q420-E710 PolarHBondContact NE2-OE1 3.02Å; Q420-P711 HydrophobicContact CG-CG 3.83Å
421	Q	98.6	Very high	97.3	Very high	4 Å²	4	24.1 Å²	24.1	2%	0.019	12%	0.12	C	C	.	.	G	3₁₀ helix	trans	-72.8	-23.8	170.7	-64.9	-175.8	-100.6	0	0	112.3	K382 I385 R386 V387 L417 H418 G419 F639	K382-Q421 PolarHBondContact O-NE2 2.93Å; I385-Q421 PolarHBondContact O-NE2 2.05Å; R386-Q421 CarbonylContact C-O 3.28Å; R386-Q421 WeakPolarHBondContact CA-O 3.16Å; V387-Q421 PolarHBondContact N-O 2.94Å; L417-Q421 HydrophobicContact CB-CB 4.5Å; H418-Q421 HydrophobicContact CB-CG 4.11Å; H418-Q421 VanDerWaalsContact O-CB 3.25Å; H418-Q421 WeakPolarHBondContact O-CB 3.33Å; H418-Q421 WeakPolarHBondContact O-CG 3.09Å; H418-Q421 PolarHBondContact O-N 3.47Å; G419-Q421 PolarHBondContact O-N 2.94Å; Q421-F639 HydrophobicContact CG-CD2 3.55Å; Q421-F639 HydrophobicContact CG-CE2 3.64Å; Q421-F639 HydrophobicContact CG-CG 4.1Å; Q421-F639 HydrophobicContact CG-CZ 4.27Å
422	Y	98.8	Very high	97.6	Very high	0 Å²	0	18.3 Å²	18.3	0%	0	9%	0.089	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-75.2	141.9	171.4	-62	-76.6	0	0	0	110.3	Y364 V387 D389 T393 N398 W415 L417 G419 Q420 N432 S433	Y364-Y422 HydrophobicContact CE1-CE1 4.1Å; V387-Y422 HydrophobicContact CB-CD1 3.82Å; V387-Y422 HydrophobicContact CB-CE1 4.14Å; V387-Y422 HydrophobicContact CG1-CD1 3.99Å; V387-Y422 HydrophobicContact CG1-CE1 4.13Å; V387-Y422 HydrophobicContact CG2-CD1 4.48Å; V387-Y422 HydrophobicContact CG2-CE1 4.41Å; V387-Y422 CarbonylContact O-C 3.51Å; V387-Y422 WeakPolarHBondContact O-CA 3.47Å; D389-Y422 HydrophobicContact CB-CD1 4.26Å; T393-Y422 HydrophobicContact CG2-CD2 4.2Å; T393-Y422 HydrophobicContact CG2-CE1 4.37Å; T393-Y422 HydrophobicContact CG2-CE2 3.79Å; N398-Y422 HydrophobicContact CB-CE2 4.49Å; N398-Y422 PolarHBondContact OD1-OH 3.44Å; N398-Y422 VanDerWaalsContact OD1-OH 3.04Å; W415-Y422 WeakPolarHBondContact CB-OH 3.48Å; L417-Y422 HydrophobicContact CB-CE2 4.05Å; L417-Y422 HydrophobicContact CD1-CE1 4.24Å; G419-Y422 WeakPolarHBondContact O-CD2 3.46Å; G419-Y422 PolarHBondContact O-N 3.12Å; Q420-Y422 VanDerWaalsContact C-N 3.28Å; Y422-N432 WeakPolarHBondContact O-CB 3.33Å; Y422-S433 PolarHBondContact O-N 3.49Å
423	M	98.7	Very high	97.7	Very high	0 Å²	0	13.7 Å²	13.7	0%	0	7%	0.072	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.6	106.9	-167.7	-84.9	-176.1	174.4	0	0	111.4	Y361 R386 V387 I388 D389 S433 M435 Y633	Y361-M423 HydrophobicContact CD1-SD 4.11Å; Y361-M423 HydrophobicContact CE1-CE 4.05Å; Y361-M423 HydrophobicContact CE1-SD 3.64Å; R386-M423 HydrophobicContact CB-CE 3.95Å; R386-M423 HydrophobicContact CB-SD 3.71Å; R386-M423 HydrophobicContact CG-CE 3.79Å; R386-M423 HydrophobicContact CG-SD 4.24Å; V387-M423 PolarHBondContact O-N 3.37Å; I388-M423 HydrophobicContact CD1-CB 3.73Å; I388-M423 HydrophobicContact CD1-SD 4.1Å; D389-M423 CarbonylContact C-O 3.27Å; D389-M423 PolarHBondContact N-O 3.25Å; M423-S433 CarbonylContact C-O 3.55Å; M423-S433 WeakPolarHBondContact CA-O 3.25Å; M423-M435 HydrophobicContact CB-CB 3.84Å; M423-M435 HydrophobicContact CE-CE 4.2Å; M423-M435 HydrophobicContact CG-CB 4.3Å; M423-M435 HydrophobicContact CG-CE 4.5Å; M423-M435 HydrophobicContact SD-CE 3.28Å; M423-M435 WeakPolarHBondContact SD-CE 3.33Å; M423-Y633 HydrophobicContact CE-CD2 4.19Å
424	T	98.7	Very high	97.9	Very high	1 Å²	1	13.8 Å²	13.8	1%	0.006	7%	0.071	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.5	158.9	-168.7	64.2	0	0	0	0	114.2	D389 F426 N432 S433 M435 G436	D389-T424 VanDerWaalsContact O-CA 3.28Å; D389-T424 WeakPolarHBondContact O-CA 3.46Å; T424-F426 WeakPolarHBondContact CB-O 3.34Å; T424-F426 PolarHBondContact OG1-O 3.27Å; T424-N432 HydrophobicContact CG2-CB 3.83Å; T424-S433 PolarHBondContact N-O 3.39Å; T424-M435 PolarHBondContact O-N 3.26Å; T424-G436 PolarHBondContact O-N 2.79Å
425	M	97.9	Very high	98	Very high	4 Å²	4	12 Å²	12	2%	0.02	6%	0.064	C	C	.	.	S	Bend	trans	-74	-34	175.4	-173.8	71.7	72.7	0	0	112.4	G308 Q312 T390 F434 G436 F437	G308-M425 WeakPolarHBondContact O-CE 3.49Å; Q312-M425 HydrophobicContact CB-CE 3.66Å; Q312-M425 HydrophobicContact CB-SD 3.93Å; Q312-M425 HydrophobicContact CG-CE 4.27Å; Q312-M425 HydrophobicContact CG-SD 4.34Å; Q312-M425 VanDerWaalsContact OE1-CE 3.32Å; T390-M425 HydrophobicContact CG2-CB 3.74Å; T390-M425 HydrophobicContact CG2-CE 4.3Å; T390-M425 HydrophobicContact CG2-CG 4.34Å; T390-M425 PolarHBondContact O-N 2.97Å; M425-F434 WeakPolarHBondContact O-CE2 3.34Å; M425-G436 WeakPolarHBondContact O-CA 3.35Å; M425-F437 HydrophobicContact CG-CD1 4.08Å; M425-F437 HydrophobicContact CG-CE1 4.09Å; M425-F437 HydrophobicContact SD-CB 4.47Å; M425-F437 HydrophobicContact SD-CD1 3.33Å; M425-F437 WeakPolarHBondContact SD-CD1 3.01Å; M425-F437 HydrophobicContact SD-CE1 3.86Å; M425-F437 HydrophobicContact SD-CG 4.19Å
426	F	98.3	Very high	98.1	Very high	1 Å²	1	10.3 Å²	10.3	0%	0.004	6%	0.057	C	C	.	.	S	Bend	trans	-132.7	156.3	176.8	-68.7	-87.9	0	0	0	109.3	T424 H428 F437 E534 L539 H578 Y580 Y621	T424-F426 WeakPolarHBondContact CB-O 3.34Å; T424-F426 PolarHBondContact OG1-O 3.27Å; F426-H428 PolarHBondContact O-N 3.24Å; F426-F437 HydrophobicContact CE1-CE1 4.01Å; F426-F437 HydrophobicContact CE1-CZ 4.31Å; F426-F437 HydrophobicContact CE2-CE1 4.04Å; F426-F437 AromaticContact CZ-CE1 3.55Å; F426-F437 HydrophobicContact CZ-CE1 3.55Å; F426-F437 AromaticContact CZ-CZ 3.88Å; F426-F437 HydrophobicContact CZ-CZ 3.88Å; F426-E534 HydrophobicContact CD2-CB 4.01Å; F426-E534 HydrophobicContact CE2-CB 4.18Å; F426-E534 WeakPolarHBondContact CE2-O 3.31Å; F426-L539 HydrophobicContact CE1-CD1 3.83Å; F426-L539 HydrophobicContact CE1-CG 4.34Å; F426-L539 HydrophobicContact CZ-CD1 4.48Å; F426-H578 AromaticContact CD1-CE1 3.72Å; F426-H578 AromaticContact CE1-CE1 3.2Å; F426-H578 WeakPolarHBondContact CE1-CE1 3.05Å; F426-H578 AromaticContact CE1-NE2 3.39Å; F426-H578 WeakPolarHBondContact CE1-NE2 3.46Å; F426-H578 AromaticContact CE2-NE2 4Å; F426-H578 AromaticContact CZ-CE1 3.51Å; F426-H578 AromaticContact CZ-NE2 3.21Å; F426-H578 WeakPolarHBondContact CZ-NE2 3.18Å; F426-Y580 AromaticContact CD1-CD1 3.83Å; F426-Y580 HydrophobicContact CD1-CD1 3.83Å; F426-Y580 HydrophobicContact CD1-CD2 4.28Å; F426-Y580 AromaticContact CD1-CG 3.63Å; F426-Y580 HydrophobicContact CD1-CG 3.63Å; F426-Y580 HydrophobicContact CE1-CD1 4.03Å; F426-Y580 HydrophobicContact CE1-CG 4.29Å; F426-Y621 HydrophobicContact CD1-CE1 4.32Å; F426-Y621 AromaticContact CD1-CZ 3.82Å; F426-Y621 WeakPolarHBondContact CD1-OH 3.47Å; F426-Y621 HydrophobicContact CE1-CE1 4.04Å; F426-Y621 AromaticContact CE1-CZ 3.86Å; F426-Y621 WeakPolarHBondContact CE1-OH 3.4Å
427	P	97.6	Very high	98.2	Very high	14 Å²	14	8.4 Å²	8.4	9%	0.091	5%	0.047	C	C	.	.	S	Bend	trans	-78.6	52.5	-177.4	34	-37.6	0	0	0	112.8	F434 Y580 V783	P427-F434 HydrophobicContact CB-CB 3.95Å; P427-F434 HydrophobicContact CB-CD1 4.09Å; P427-F434 HydrophobicContact CB-CD2 4.15Å; P427-F434 HydrophobicContact CB-CG 3.81Å; P427-F434 HydrophobicContact CG-CD1 4.47Å; P427-F434 HydrophobicContact CG-CD2 4.47Å; P427-F434 HydrophobicContact CG-CG 4.42Å; P427-Y580 HydrophobicContact CG-CD2 3.64Å; P427-Y580 HydrophobicContact CG-CE2 3.76Å; P427-V783 HydrophobicContact CB-CG1 3.26Å; P427-V783 HydrophobicContact CG-CG1 3.55Å
428	H	97.2	Very high	98.2	Very high	32 Å²	32	8.2 Å²	8.2	15%	0.148	5%	0.046	C	C	.	.			trans	-97.1	-9.8	-176	54.2	47.2	0	0	0	114.4	T390 F391 F426 E534 R572	T390-H428 PolarHBondContact O-NE2 2.73Å; T390-H428 VanDerWaalsContact O-NE2 3.14Å; F391-H428 VanDerWaalsContact C-CE1 3.44Å; F391-H428 PolarHBondContact O-CE1 3.28Å; F426-H428 PolarHBondContact O-N 3.24Å; H428-E534 IonicContact CD2-OE1 3.49Å; H428-E534 PolarHBondContact CD2-OE1 3.43Å; H428-E534 IonicContact CD2-OE2 3.89Å; H428-R572 WeakPolarHBondContact O-CD 3.49Å
429	T	98.3	Very high	98	Very high	5 Å²	5	6.2 Å²	6.2	3%	0.031	4%	0.037	C	C	.	.			trans	-131.2	91.8	-178.2	-49.9	0	0	0	0	108.9	E394 D431 N432	E394-T429 HydrophobicContact CG-CG2 4.4Å; T429-D431 HydrophobicContact CG2-CB 4.2Å; T429-D431 PolarHBondContact O-N 2.83Å; T429-N432 HydrophobicContact CG2-CB 4.49Å; T429-N432 WeakPolarHBondContact CG2-OD1 3.24Å; T429-N432 PolarHBondContact O-N 3.17Å
430	P	97.9	Very high	97.6	Very high	18 Å²	18	7.2 Å²	7.2	12%	0.117	4%	0.037	C	C	.	.	T	Hydrogen-bonded Turn	trans	-67.2	-15.9	-175.3	25.6	-33.7	0	0	0	114	N432 V699 I708 C709 P711 C762	P430-N432 PolarHBondContact O-N 2.7Å; P430-V699 HydrophobicContact CG-CB 4.48Å; P430-V699 HydrophobicContact CG-CG1 4.28Å; P430-V699 HydrophobicContact CG-CG2 3.67Å; P430-I708 HydrophobicContact CB-CD1 4.25Å; P430-I708 HydrophobicContact CB-CG1 3.97Å; P430-C709 HydrophobicContact CB-CB 4.27Å; P430-C709 WeakPolarHBondContact CB-O 3.15Å; P430-C709 HydrophobicContact CG-CB 4.26Å; P430-P711 WeakPolarHBondContact O-CD 3.23Å; P430-P711 WeakPolarHBondContact O-CG 3.23Å; P430-C762 HydrophobicContact CB-CB 4.45Å; P430-C762 HydrophobicContact CG-CB 3.82Å
431	D	98.6	Very high	97.3	Very high	1 Å²	1	8.9 Å²	8.9	1%	0.005	5%	0.045	C	C	.	.	T	Hydrogen-bonded Turn	trans	-61.5	-20.5	167.2	-68.9	-58.6	0	0	0	113	P395 G419 Q420 T429 S761 C762 A763	P395-D431 HydrophobicContact CG-CB 4.25Å; G419-D431 CarbonylContact C-O 3.37Å; G419-D431 WeakPolarHBondContact CA-O 3.31Å; G419-D431 VanDerWaalsContact O-O 3.14Å; Q420-D431 PolarHBondContact N-O 2.96Å; T429-D431 HydrophobicContact CG2-CB 4.2Å; T429-D431 PolarHBondContact O-N 2.83Å; D431-S761 WeakPolarHBondContact OD1-CA 3.41Å; D431-C762 WeakPolarHBondContact OD1-CB 3.46Å; D431-C762 PolarHBondContact OD1-N 3.19Å; D431-C762 PolarHBondContact OD2-N 3.4Å; D431-A763 WeakPolarHBondContact OD2-CB 3.2Å; D431-A763 PolarHBondContact OD2-N 3.39Å
432	N	98.8	Very high	96.9	Very high	10 Å²	10	10 Å²	10	5%	0.053	5%	0.051	C	C	.	.	S	Bend	trans	-113.7	165.9	-178.1	-52.3	146.7	0	0	0	111	G392 T393 G419 Y422 T424 T429 P430	G392-N432 WeakPolarHBondContact CA-OD1 3.41Å; T393-N432 PolarHBondContact N-OD1 3.14Å; T393-N432 PolarHBondContact O-ND2 3.11Å; T393-N432 PolarHBondContact O-OD1 3.31Å; G419-N432 WeakPolarHBondContact O-CA 3.32Å; G419-N432 PolarHBondContact O-ND2 2.65Å; Y422-N432 WeakPolarHBondContact O-CB 3.33Å; T424-N432 HydrophobicContact CG2-CB 3.83Å; T429-N432 HydrophobicContact CG2-CB 4.49Å; T429-N432 WeakPolarHBondContact CG2-OD1 3.24Å; T429-N432 PolarHBondContact O-N 3.17Å; P430-N432 PolarHBondContact O-N 2.7Å
433	S	98.8	Very high	96.6	Very high	4 Å²	4	14 Å²	14	3%	0.028	7%	0.072	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-83	135.6	172.8	-65	0	0	0	0	110.5	Q420 Y422 M423 T424 M435 Q637	Q420-S433 WeakPolarHBondContact O-CB 3.4Å; Q420-S433 PolarHBondContact O-OG 3.14Å; Y422-S433 PolarHBondContact O-N 3.49Å; M423-S433 CarbonylContact C-O 3.55Å; M423-S433 WeakPolarHBondContact CA-O 3.25Å; T424-S433 PolarHBondContact N-O 3.39Å; S433-M435 PolarHBondContact O-N 2.88Å; S433-Q637 PolarHBondContact OG-NE2 3.12Å
434	F	98.7	Very high	96.1	Very high	9 Å²	9	21 Å²	21	4%	0.039	11%	0.105	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-78.9	116.2	171.8	165.3	-131.6	0	0	0	109.8	M425 P427 E620 Y621 R629 Y633 V783 A784	M425-F434 WeakPolarHBondContact O-CE2 3.34Å; P427-F434 HydrophobicContact CB-CB 3.95Å; P427-F434 HydrophobicContact CB-CD1 4.09Å; P427-F434 HydrophobicContact CB-CD2 4.15Å; P427-F434 HydrophobicContact CB-CG 3.81Å; P427-F434 HydrophobicContact CG-CD1 4.47Å; P427-F434 HydrophobicContact CG-CD2 4.47Å; P427-F434 HydrophobicContact CG-CG 4.42Å; F434-E620 HydrophobicContact CE1-CB 3.95Å; F434-E620 HydrophobicContact CE1-CG 3.99Å; F434-E620 WeakPolarHBondContact CE1-OE2 3.46Å; F434-E620 HydrophobicContact CZ-CB 4.48Å; F434-E620 HydrophobicContact CZ-CG 4.26Å; F434-Y621 HydrophobicContact CE2-CE1 4.35Å; F434-Y621 WeakPolarHBondContact CE2-OH 3.46Å; F434-Y621 HydrophobicContact CZ-CE1 4.1Å; F434-Y621 HydrophobicContact CZ-CE2 4.12Å; F434-Y621 AromaticContact CZ-CZ 3.66Å; F434-Y621 WeakPolarHBondContact CZ-OH 3.28Å; F434-R629 WeakPolarHBondContact O-CD 3.28Å; F434-R629 PolarHBondContact O-NE 3.11Å; F434-Y633 PolarHBondContact N-OH 3.15Å; F434-Y633 VanDerWaalsContact O-CE2 3.23Å; F434-Y633 WeakPolarHBondContact O-CE2 3.46Å; F434-Y633 PolarHBondContact O-OH 2.87Å; F434-V783 HydrophobicContact CD1-CG1 4.13Å; F434-A784 HydrophobicContact CD1-CB 4.08Å
435	M	98.6	Very high	95.8	Very high	0 Å²	0	26 Å²	26	0%	0	14%	0.136	C	C	.	.			trans	-93.1	-48.1	175.5	172.9	60.2	84.9	0	0	111.7	I316 Y361 I388 M423 T424 S433 M626 R629 V630	I316-M435 HydrophobicContact CD1-CE 4.32Å; I316-M435 HydrophobicContact CD1-CG 3.89Å; I316-M435 HydrophobicContact CD1-SD 4.34Å; I316-M435 HydrophobicContact CG1-CE 4.1Å; I316-M435 HydrophobicContact CG1-CG 3.92Å; I316-M435 HydrophobicContact CG1-SD 3.82Å; Y361-M435 HydrophobicContact CD1-CE 4.04Å; Y361-M435 HydrophobicContact CE1-CE 3.52Å; I388-M435 HydrophobicContact CD1-CE 4.09Å; I388-M435 HydrophobicContact CD1-CG 4.26Å; M423-M435 HydrophobicContact CB-CB 3.84Å; M423-M435 HydrophobicContact CE-CE 4.2Å; M423-M435 HydrophobicContact CG-CB 4.3Å; M423-M435 HydrophobicContact CG-CE 4.5Å; M423-M435 HydrophobicContact SD-CE 3.28Å; M423-M435 WeakPolarHBondContact SD-CE 3.33Å; T424-M435 PolarHBondContact O-N 3.26Å; S433-M435 PolarHBondContact O-N 2.88Å; M435-M626 HydrophobicContact SD-CE 4.09Å; M435-R629 VanDerWaalsContact O-CZ 3.28Å; M435-R629 PolarHBondContact O-NE 3.05Å; M435-R629 PolarHBondContact O-NH2 2.79Å; M435-V630 HydrophobicContact SD-CG2 3.87Å
436	G	98	Very high	95.5	Very high	0 Å²	0	28.6 Å²	28.6	0%	0	15%	0.148	C	C	.	.			trans	70.6	-159.4	179.1	0	0	0	0	0	114.3	Q312 T424 M425	Q312-G436 WeakPolarHBondContact CG-O 3.46Å; Q312-G436 PolarHBondContact NE2-O 2.81Å; T424-G436 PolarHBondContact O-N 2.79Å; M425-G436 WeakPolarHBondContact O-CA 3.35Å
437	F	98.1	Very high	95.3	Very high	0 Å²	0	33.2 Å²	33.2	0%	0	17%	0.166	C	C	.	.			trans	-160.6	-177.4	179.9	61.6	-83.8	0	0	0	108.4	V311 Q312 M425 F426 P536 L539 Y621	V311-F437 HydrophobicContact CG1-CB 4.01Å; V311-F437 HydrophobicContact CG1-CD2 3.93Å; V311-F437 HydrophobicContact CG1-CG 4.17Å; Q312-F437 HydrophobicContact CB-CB 4.49Å; M425-F437 HydrophobicContact CG-CD1 4.08Å; M425-F437 HydrophobicContact CG-CE1 4.09Å; M425-F437 HydrophobicContact SD-CB 4.47Å; M425-F437 HydrophobicContact SD-CD1 3.33Å; M425-F437 WeakPolarHBondContact SD-CD1 3.01Å; M425-F437 HydrophobicContact SD-CE1 3.86Å; M425-F437 HydrophobicContact SD-CG 4.19Å; F426-F437 HydrophobicContact CE1-CE1 4.01Å; F426-F437 HydrophobicContact CE1-CZ 4.31Å; F426-F437 HydrophobicContact CE2-CE1 4.04Å; F426-F437 AromaticContact CZ-CE1 3.55Å; F426-F437 HydrophobicContact CZ-CE1 3.55Å; F426-F437 AromaticContact CZ-CZ 3.88Å; F426-F437 HydrophobicContact CZ-CZ 3.88Å; F437-P536 HydrophobicContact CD2-CB 4.13Å; F437-P536 HydrophobicContact CE1-CB 4.2Å; F437-P536 HydrophobicContact CE2-CB 3.42Å; F437-P536 VanDerWaalsContact CE2-CB 3.42Å; F437-P536 HydrophobicContact CZ-CB 3.46Å; F437-P536 VanDerWaalsContact CZ-CB 3.46Å; F437-L539 HydrophobicContact CZ-CD1 3.9Å; F437-Y621 HydrophobicContact CD1-CD1 4.07Å; F437-Y621 AromaticContact CD1-CE1 3.82Å; F437-Y621 HydrophobicContact CD1-CE1 3.82Å; F437-Y621 HydrophobicContact CD2-CD1 4.32Å; F437-Y621 AromaticContact CE1-CD1 3.85Å; F437-Y621 HydrophobicContact CE1-CD1 3.85Å; F437-Y621 AromaticContact CE1-CE1 3.46Å; F437-Y621 HydrophobicContact CE1-CE1 3.46Å; F437-Y621 VanDerWaalsContact CE1-CE1 3.46Å; F437-Y621 HydrophobicContact CE2-CD1 4.07Å; F437-Y621 HydrophobicContact CE2-CE1 4.49Å; F437-Y621 HydrophobicContact CG-CD1 4.31Å; F437-Y621 HydrophobicContact CG-CE1 4.5Å; F437-Y621 AromaticContact CZ-CD1 3.84Å; F437-Y621 HydrophobicContact CZ-CD1 3.84Å; F437-Y621 AromaticContact CZ-CE1 3.82Å; F437-Y621 HydrophobicContact CZ-CE1 3.82Å; F437-Y621 WeakPolarHBondContact O-CD1 3.44Å
438	V	97.8	Very high	94.9	Very high	0 Å²	0	37.1 Å²	37.1	0%	0	18%	0.184	C	C	.	.			trans	-111.6	140.7	179	174.9	0	0	0	0	111.6	R253 L257 W261 D315 Y621 M626	R253-V438 PolarHBondContact NH2-O 3.1Å; L257-V438 HydrophobicContact CD1-CG1 4.35Å; W261-V438 HydrophobicContact CH2-CG2 3.62Å; W261-V438 HydrophobicContact CZ2-CB 4.29Å; W261-V438 HydrophobicContact CZ2-CG2 3.52Å; D315-V438 PolarHBondContact OD2-N 2.93Å; V438-Y621 CarbonylContact C-O 3.55Å; V438-Y621 WeakPolarHBondContact CA-O 3.35Å; V438-M626 HydrophobicContact CG2-CB 3.89Å; V438-M626 HydrophobicContact CG2-CG 4.43Å; V438-M626 HydrophobicContact CG2-SD 3.72Å
439	A	93.8	Very high	94.7	Very high	0 Å²	0	40.4 Å²	40.4	0%	0	20%	0.202	C	C	.	.			trans	-105.2	156.5	161.5	0	0	0	0	0	110.2	E441 L617 Y621	A439-E441 PolarHBondContact O-N 2.98Å; A439-L617 HydrophobicContact CB-CD1 3.62Å; A439-L617 HydrophobicContact CB-CD2 4.11Å; A439-Y621 PolarHBondContact N-O 3.12Å
440	E	88.7	Confident	94.4	Very high	36 Å²	36	40.6 Å²	40.6	17%	0.168	20%	0.203	C	C	.	.	P	Polyproline II helix	trans	-64.3	123.7	-178.2	-168.3	170.6	141.2	0	0	110.8	R256 L257 R521	R256-E440 IonicContact NE-OE2 3.35Å; R256-E440 PolarHBondContact NE-OE2 3.4Å; L257-E440 HydrophobicContact CD2-CB 4.33Å; L257-E440 HydrophobicContact CD2-CG 4.16Å; E440-R521 IonicContact OE1-NH2 3.38Å; E440-R521 PolarHBondContact OE1-NH2 3.31Å
441	E	91.4	Very high	94	Very high	47 Å²	47	43.6 Å²	43.6	22%	0.22	22%	0.215	C	C	.	.	P	Polyproline II helix	trans	-79.8	134.7	177	-65.1	174.5	-120.4	0	0	110.2	Q260 R267 A439 L617 T622 C623	Q260-E441 PolarHBondContact NE2-O 3.42Å; Q260-E441 VanDerWaalsContact NE2-O 3.15Å; R267-E441 IonicContact NH2-OE2 3.88Å; A439-E441 PolarHBondContact O-N 2.98Å; E441-L617 HydrophobicContact CG-CD2 4.02Å; E441-T622 HydrophobicContact CG-CG2 4.12Å; E441-T622 WeakPolarHBondContact OE1-CB 3.48Å; E441-C623 WeakPolarHBondContact OE1-CB 3.29Å; E441-C623 PolarHBondContact OE1-N 3.22Å
442	L	91.4	Very high	93.5	Very high	27 Å²	27	53.3 Å²	53.3	14%	0.141	25%	0.252	C	S	.	.	P	Polyproline II helix	trans	-98.7	136.8	173.8	-62.2	175.2	0	0	0	110.3	E446 R447 I450 A543 P615	L442-E446 HydrophobicContact CB-CB 4.31Å; L442-E446 HydrophobicContact CD2-CB 4.37Å; L442-R447 HydrophobicContact CB-CG 3.69Å; L442-R447 HydrophobicContact CD1-CG 4.21Å; L442-I450 HydrophobicContact CD1-CD1 3.43Å; L442-I450 VanDerWaalsContact CD1-CD1 3.43Å; L442-I450 HydrophobicContact CD2-CD1 3.95Å; L442-I450 HydrophobicContact CG-CD1 4.31Å; L442-A543 WeakPolarHBondContact CD1-O 3.24Å; L442-P615 HydrophobicContact CD1-CB 3.85Å; L442-P615 HydrophobicContact CD1-CG 4.34Å
443	N	90.4	Very high	93.1	Very high	84 Å²	84	57.4 Å²	57.4	45%	0.449	27%	0.274	S	S	.	.	P	Polyproline II helix	trans	-74	165.8	170.6	70.8	52.4	0	0	0	111.8	T445 E446 R447	N443-T445 VanDerWaalsContact C-N 3.32Å; N443-T445 PolarHBondContact O-N 3.1Å; N443-T445 WeakPolarHBondContact OD1-CB 3.47Å; N443-T445 PolarHBondContact OD1-N 3.49Å; N443-T445 VanDerWaalsContact OD1-N 3.11Å; N443-E446 VanDerWaalsContact CG-OE2 3.22Å; N443-E446 PolarHBondContact N-OE2 2.62Å; N443-E446 VanDerWaalsContact ND2-CD 3.33Å; N443-E446 PolarHBondContact ND2-OE2 2.93Å; N443-E446 PolarHBondContact O-N 2.89Å; N443-E446 WeakPolarHBondContact OD1-CG 3.17Å; N443-E446 PolarHBondContact OD1-N 3.11Å; N443-R447 WeakPolarHBondContact O-CG 3.49Å; N443-R447 PolarHBondContact O-N 2.68Å
444	E	89.8	Confident	92.8	Very high	148 Å²	148	59 Å²	59	69%	0.692	28%	0.28	S	S	*	.	H	α-helix	trans	-58.2	-41.5	-176.4	-67	-177.8	173.1	0	0	113.2	R447 M448	E444-R447 PolarHBondContact O-N 3.02Å; E444-M448 HydrophobicContact CB-CE 4.46Å; E444-M448 WeakPolarHBondContact O-CG 3.1Å; E444-M448 PolarHBondContact O-N 3.14Å
445	T	92.1	Very high	92.6	Very high	107 Å²	107	61.1 Å²	61.1	66%	0.656	29%	0.294	S	S	*	.	H	α-helix	trans	-63.4	-43.5	178	-52.8	0	0	0	0	111.6	N443 M448 L449	N443-T445 VanDerWaalsContact C-N 3.32Å; N443-T445 PolarHBondContact O-N 3.1Å; N443-T445 WeakPolarHBondContact OD1-CB 3.47Å; N443-T445 PolarHBondContact OD1-N 3.49Å; N443-T445 VanDerWaalsContact OD1-N 3.11Å; T445-M448 PolarHBondContact O-N 2.82Å; T445-L449 WeakPolarHBondContact O-CB 3.41Å; T445-L449 PolarHBondContact O-N 3.05Å
446	E	91.9	Very high	92.2	Very high	58 Å²	58	65 Å²	65	27%	0.271	32%	0.315	S	S	.	.	H	α-helix	trans	-62.9	-42.9	175.5	-73.4	175.5	130.4	0	0	111.1	L442 N443 M448 L449 I450	L442-E446 HydrophobicContact CB-CB 4.31Å; L442-E446 HydrophobicContact CD2-CB 4.37Å; N443-E446 VanDerWaalsContact CG-OE2 3.22Å; N443-E446 PolarHBondContact N-OE2 2.62Å; N443-E446 VanDerWaalsContact ND2-CD 3.33Å; N443-E446 PolarHBondContact ND2-OE2 2.93Å; N443-E446 PolarHBondContact O-N 2.89Å; N443-E446 WeakPolarHBondContact OD1-CG 3.17Å; N443-E446 PolarHBondContact OD1-N 3.11Å; E446-M448 PolarHBondContact O-N 3.46Å; E446-L449 PolarHBondContact O-N 2.9Å; E446-I450 WeakPolarHBondContact O-CB 3.46Å; E446-I450 WeakPolarHBondContact O-CD1 3.12Å; E446-I450 VanDerWaalsContact O-CG1 3.22Å; E446-I450 WeakPolarHBondContact O-CG1 3.1Å; E446-I450 PolarHBondContact O-N 3.38Å
447	R	92.7	Very high	92.1	Very high	98 Å²	98	68.6 Å²	68.6	37%	0.37	33%	0.334	S	S	.	.	H	α-helix	trans	-59.3	-46.9	177.5	-68.4	173.8	87.5	-175.9	3.1	111.1	L442 N443 E444 I450 Q451 P615	L442-R447 HydrophobicContact CB-CG 3.69Å; L442-R447 HydrophobicContact CD1-CG 4.21Å; N443-R447 WeakPolarHBondContact O-CG 3.49Å; N443-R447 PolarHBondContact O-N 2.68Å; E444-R447 PolarHBondContact O-N 3.02Å; R447-I450 PolarHBondContact O-N 3.42Å; R447-Q451 WeakPolarHBondContact O-CB 3.26Å; R447-Q451 PolarHBondContact O-N 3.21Å; R447-P615 HydrophobicContact CB-CG 4.35Å; R447-P615 HydrophobicContact CG-CB 4.28Å; R447-P615 HydrophobicContact CG-CG 4.4Å; R447-P615 PolarHBondContact NE-O 2.75Å; R447-P615 PolarHBondContact NH2-O 2.96Å
448	M	90.8	Very high	92.1	Very high	95 Å²	95	69.3 Å²	69.3	47%	0.468	34%	0.337	S	S	.	.	H	α-helix	trans	-64	-42	176.1	-66.2	-177.4	-151	0	0	112.2	E444 T445 E446 Q451 R452	E444-M448 HydrophobicContact CB-CE 4.46Å; E444-M448 WeakPolarHBondContact O-CG 3.1Å; E444-M448 PolarHBondContact O-N 3.14Å; T445-M448 PolarHBondContact O-N 2.82Å; E446-M448 PolarHBondContact O-N 3.46Å; M448-Q451 PolarHBondContact O-N 2.83Å; M448-R452 WeakPolarHBondContact O-CG 3.46Å; M448-R452 PolarHBondContact O-N 2.75Å; M448-R452 VanDerWaalsContact O-N 3.08Å
449	L	92.3	Very high	92.1	Very high	101 Å²	101	69.3 Å²	69.3	53%	0.529	34%	0.337	S	S	.	.	H	α-helix	trans	-63.6	-42.9	178.9	-176.4	70.9	0	0	0	111.4	T445 E446 R452 N453	T445-L449 WeakPolarHBondContact O-CB 3.41Å; T445-L449 PolarHBondContact O-N 3.05Å; E446-L449 PolarHBondContact O-N 2.9Å; L449-R452 PolarHBondContact O-N 2.75Å; L449-N453 WeakPolarHBondContact CD1-ND2 3.24Å; L449-N453 WeakPolarHBondContact O-CB 3.38Å; L449-N453 PolarHBondContact O-N 2.82Å; L449-N453 PolarHBondContact O-ND2 3.29Å
450	I	91.4	Very high	92.3	Very high	10 Å²	10	69.3 Å²	69.3	5%	0.051	34%	0.337	C	S	.	.	H	α-helix	trans	-63.1	-51.1	177.4	-72.6	161.3	0	0	0	109.3	L442 E446 R447 R452 N453 K454 R521 N544 P615	L442-I450 HydrophobicContact CD1-CD1 3.43Å; L442-I450 VanDerWaalsContact CD1-CD1 3.43Å; L442-I450 HydrophobicContact CD2-CD1 3.95Å; L442-I450 HydrophobicContact CG-CD1 4.31Å; E446-I450 WeakPolarHBondContact O-CB 3.46Å; E446-I450 WeakPolarHBondContact O-CD1 3.12Å; E446-I450 VanDerWaalsContact O-CG1 3.22Å; E446-I450 WeakPolarHBondContact O-CG1 3.1Å; E446-I450 PolarHBondContact O-N 3.38Å; R447-I450 PolarHBondContact O-N 3.42Å; I450-R452 VanDerWaalsContact C-N 3.25Å; I450-R452 PolarHBondContact O-N 2.75Å; I450-N453 PolarHBondContact O-N 2.98Å; I450-K454 WeakPolarHBondContact O-CG 3.5Å; I450-K454 PolarHBondContact O-N 2.97Å; I450-K454 VanDerWaalsContact O-N 3.14Å; I450-R521 HydrophobicContact CD1-CG 3.7Å; I450-R521 HydrophobicContact CG1-CB 4.12Å; I450-R521 HydrophobicContact CG1-CG 3.84Å; I450-N544 WeakPolarHBondContact CG2-O 3.42Å; I450-P615 HydrophobicContact CB-CG 4.41Å; I450-P615 HydrophobicContact CG2-CG 4.05Å
451	Q	89.6	Confident	92.7	Very high	81 Å²	81	67.7 Å²	67.7	38%	0.379	33%	0.33	S	S	.	.	H	α-helix	trans	-55.9	-39.6	-179.4	-168.2	-177.4	23.9	0	0	112.5	R447 M448 E614	R447-Q451 WeakPolarHBondContact O-CB 3.26Å; R447-Q451 PolarHBondContact O-N 3.21Å; M448-Q451 PolarHBondContact O-N 2.83Å; Q451-E614 VanDerWaalsContact NE2-CG 3.35Å
452	R	89.3	Confident	92.8	Very high	204 Å²	204	66.3 Å²	66.3	77%	0.77	32%	0.323	S	S	*	.	H	α-helix	trans	-72.9	-27.9	178.4	-71.1	175.9	-175.5	174.6	3.4	114.3	M448 L449 I450	M448-R452 WeakPolarHBondContact O-CG 3.46Å; M448-R452 PolarHBondContact O-N 2.75Å; M448-R452 VanDerWaalsContact O-N 3.08Å; L449-R452 PolarHBondContact O-N 2.75Å; I450-R452 VanDerWaalsContact C-N 3.25Å; I450-R452 PolarHBondContact O-N 2.75Å
453	N	90.6	Very high	92.8	Very high	97 Å²	97	65 Å²	65	52%	0.519	32%	0.316	S	S	.	.	H	α-helix	trans	-106	9.3	-172.4	-67	-49	0	0	0	113.9	L449 I450 V455	L449-N453 WeakPolarHBondContact CD1-ND2 3.24Å; L449-N453 WeakPolarHBondContact O-CB 3.38Å; L449-N453 PolarHBondContact O-N 2.82Å; L449-N453 PolarHBondContact O-ND2 3.29Å; I450-N453 PolarHBondContact O-N 2.98Å; N453-V455 PolarHBondContact O-N 3.32Å
454	K	91.9	Very high	92.6	Very high	36 Å²	36	63.8 Å²	63.8	16%	0.157	31%	0.307	C	S	.	.			trans	-62.4	132.3	175.7	-80.4	-73.9	177	176.1	0	111.1	I450 L520 R521 A523 N544 G545	I450-K454 WeakPolarHBondContact O-CG 3.5Å; I450-K454 PolarHBondContact O-N 2.97Å; I450-K454 VanDerWaalsContact O-N 3.14Å; K454-L520 PolarHBondContact NZ-O 3.15Å; K454-R521 VanDerWaalsContact CD-O 3.3Å; K454-R521 WeakPolarHBondContact CD-O 3.33Å; K454-R521 WeakPolarHBondContact CE-O 3.29Å; K454-R521 PolarHBondContact NZ-O 2.87Å; K454-A523 WeakPolarHBondContact CD-O 3.39Å; K454-A523 WeakPolarHBondContact CE-O 3.38Å; K454-A523 PolarHBondContact NZ-O 3.13Å; K454-N544 WeakPolarHBondContact CE-O 3.27Å; K454-N544 PolarHBondContact NZ-O 3.27Å; K454-G545 WeakPolarHBondContact CE-O 3.5Å; K454-G545 VanDerWaalsContact NZ-C 3.31Å; K454-G545 PolarHBondContact NZ-O 3.48Å
455	V	94.7	Very high	92.4	Very high	55 Å²	55	60.2 Å²	60.2	33%	0.333	29%	0.292	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.4	112	173	-179.5	0	0	0	0	108.2	N453 N457 M458 K522 K524	N453-V455 PolarHBondContact O-N 3.32Å; V455-N457 VanDerWaalsContact C-N 3.28Å; V455-N457 VanDerWaalsContact CG1-OD1 3.28Å; V455-N457 WeakPolarHBondContact CG1-OD1 3.39Å; V455-N457 PolarHBondContact O-N 3.38Å; V455-M458 HydrophobicContact CB-CB 3.97Å; V455-M458 HydrophobicContact CB-SD 4.29Å; V455-M458 HydrophobicContact CG1-CB 3.82Å; V455-M458 PolarHBondContact O-N 3.46Å; V455-K522 HydrophobicContact CG2-CB 4.37Å; V455-K522 PolarHBondContact N-O 2.88Å; V455-K524 WeakPolarHBondContact O-CB 3.32Å
456	N	89.7	Confident	92	Very high	81 Å²	81	56.3 Å²	56.3	43%	0.433	27%	0.271	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-66.5	-26.4	-169.4	-87.3	-38.7	0	0	0	114.7	K524	N456-K524 HydrophobicContact CB-CD 4.38Å; N456-K524 WeakPolarHBondContact O-CD 3.2Å; N456-K524 PolarHBondContact OD1-NZ 2.76Å
457	N	95.8	Very high	91.6	Very high	76 Å²	76	56.7 Å²	56.7	41%	0.406	28%	0.281	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-108	38.1	-176.6	64.9	-30.6	0	0	0	112.2	V455 Y484 M485 E486 M609	V455-N457 VanDerWaalsContact C-N 3.28Å; V455-N457 VanDerWaalsContact CG1-OD1 3.28Å; V455-N457 WeakPolarHBondContact CG1-OD1 3.39Å; V455-N457 PolarHBondContact O-N 3.38Å; N457-Y484 WeakPolarHBondContact CB-O 3.42Å; N457-M485 CarbonylContact O-C 3.36Å; N457-M485 WeakPolarHBondContact O-CA 3.21Å; N457-M485 WeakPolarHBondContact O-CB 3.42Å; N457-E486 PolarHBondContact O-N 3.21Å; N457-M609 HydrophobicContact CB-CE 4.41Å
458	M	97.7	Very high	91.4	Very high	14 Å²	14	53.9 Å²	53.9	7%	0.069	27%	0.272	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.5	124.7	-176.8	-175.5	-176.8	-175.7	0	0	111.5	V455 L519 K522 A523 K524 L525	V455-M458 HydrophobicContact CB-CB 3.97Å; V455-M458 HydrophobicContact CB-SD 4.29Å; V455-M458 HydrophobicContact CG1-CB 3.82Å; V455-M458 PolarHBondContact O-N 3.46Å; M458-L519 HydrophobicContact CE-CD1 3.35Å; M458-L519 HydrophobicContact CE-CG 4.26Å; M458-K522 HydrophobicContact SD-CB 3.88Å; M458-A523 HydrophobicContact CG-CB 4.17Å; M458-A523 HydrophobicContact SD-CB 4.22Å; M458-K524 PolarHBondContact O-N 2.92Å; M458-L525 PolarHBondContact O-N 3.23Å; M458-L525 VanDerWaalsContact O-N 3.14Å
459	A	98.2	Very high	91.2	Very high	0 Å²	0	49.4 Å²	49.4	0%	0	25%	0.25	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.5	139.3	175.6	0	0	0	0	0	111.3	L481 M485 E486 H488 L525	A459-L481 HydrophobicContact CB-CD1 4.32Å; A459-L481 HydrophobicContact CB-CD2 4.13Å; A459-M485 HydrophobicContact CB-CB 4.18Å; A459-M485 HydrophobicContact CB-SD 3.9Å; A459-E486 PolarHBondContact N-O 3.13Å; A459-H488 WeakPolarHBondContact O-CB 3.3Å; A459-H488 PolarHBondContact O-N 3.04Å; A459-L525 CarbonylContact C-O 3.49Å; A459-L525 VanDerWaalsContact CA-O 3.3Å; A459-L525 WeakPolarHBondContact CA-O 3.32Å; A459-L525 HydrophobicContact CB-CB 4.01Å; A459-L525 HydrophobicContact CB-CD2 4.14Å; A459-L525 HydrophobicContact CB-CG 4.4Å
460	V	98.1	Very high	90.5	Very high	1 Å²	1	51 Å²	51	1%	0.006	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.4	128.7	172.8	177.2	0	0	0	0	108.7	H488 L519 L520 A523 L525 F526 I527	V460-H488 HydrophobicContact CG2-CB 4.13Å; V460-L519 HydrophobicContact CG1-CD2 4.04Å; V460-L519 HydrophobicContact CG2-CD1 4.45Å; V460-L519 HydrophobicContact CG2-CD2 3.91Å; V460-L519 HydrophobicContact CG2-CG 3.83Å; V460-L520 HydrophobicContact CG1-CD2 4.43Å; V460-A523 HydrophobicContact CB-CB 4.37Å; V460-A523 HydrophobicContact CG2-CB 3.51Å; V460-L525 PolarHBondContact N-O 3.31Å; V460-F526 HydrophobicContact CB-CD2 4.02Å; V460-F526 HydrophobicContact CG1-CD2 3.98Å; V460-F526 HydrophobicContact CG1-CE2 3.97Å; V460-F526 CarbonylContact O-C 2.93Å; V460-F526 VanDerWaalsContact O-CA 3.3Å; V460-F526 WeakPolarHBondContact O-CA 3.49Å; V460-F526 VanDerWaalsContact O-CD2 3.31Å; V460-F526 WeakPolarHBondContact O-CD2 3.42Å; V460-I527 PolarHBondContact O-N 3.43Å
461	V	96.4	Very high	89.3	Confident	1 Å²	1	54.9 Å²	54.9	1%	0.006	27%	0.269	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-87	135.4	-178.2	173.2	0	0	0	0	111.2	G463 W469 I487 H488 I527 F529	V461-G463 PolarHBondContact O-N 3.38Å; V461-W469 HydrophobicContact CB-CH2 3.36Å; V461-W469 HydrophobicContact CB-CZ2 3.41Å; V461-W469 VanDerWaalsContact CB-CZ2 3.41Å; V461-W469 HydrophobicContact CB-CZ3 4.28Å; V461-W469 HydrophobicContact CG1-CH2 3.54Å; V461-W469 HydrophobicContact CG1-CZ2 3.29Å; V461-W469 HydrophobicContact CG1-CZ3 4.19Å; V461-W469 HydrophobicContact CG2-CH2 3.41Å; V461-W469 VanDerWaalsContact CG2-CH2 3.41Å; V461-W469 HydrophobicContact CG2-CZ2 4.03Å; V461-W469 HydrophobicContact CG2-CZ3 3.99Å; V461-I487 HydrophobicContact CG2-CG2 3.63Å; V461-H488 PolarHBondContact N-O 3.11Å; V461-I527 HydrophobicContact CB-CG2 4.22Å; V461-I527 HydrophobicContact CG2-CG2 3.66Å; V461-F529 HydrophobicContact CB-CZ 4.18Å; V461-F529 HydrophobicContact CG1-CD1 4.18Å; V461-F529 HydrophobicContact CG1-CD2 3.9Å; V461-F529 HydrophobicContact CG1-CE1 3.64Å; V461-F529 HydrophobicContact CG1-CE2 3.35Å; V461-F529 HydrophobicContact CG1-CG 4.29Å; V461-F529 HydrophobicContact CG1-CZ 3.2Å; V461-F529 HydrophobicContact CG2-CE1 4.17Å; V461-F529 HydrophobicContact CG2-CZ 3.87Å
462	Y	95.1	Very high	88.1	Confident	18 Å²	18	59.4 Å²	59.4	7%	0.071	29%	0.29	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.4	87.7	170.1	-174	-155.4	0	0	0	111.2	F526 I527 P532 G535 A537 P538	Y462-F526 VanDerWaalsContact CB-CZ 3.44Å; Y462-F526 HydrophobicContact CD1-CE1 4.22Å; Y462-F526 HydrophobicContact CD2-CE1 4.26Å; Y462-F526 AromaticContact CD2-CZ 3.83Å; Y462-F526 HydrophobicContact CD2-CZ 3.83Å; Y462-F526 AromaticContact CG-CE1 3.8Å; Y462-F526 HydrophobicContact CG-CE1 3.8Å; Y462-F526 AromaticContact CG-CZ 3.71Å; Y462-F526 HydrophobicContact CG-CZ 3.71Å; Y462-I527 WeakPolarHBondContact CB-O 3.35Å; Y462-I527 PolarHBondContact N-O 2.87Å; Y462-P532 HydrophobicContact CE1-CG 3.89Å; Y462-P532 HydrophobicContact CE2-CG 3.87Å; Y462-P532 VanDerWaalsContact OH-CG 3.25Å; Y462-P532 WeakPolarHBondContact OH-CG 3.33Å; Y462-G535 WeakPolarHBondContact OH-CA 3.45Å; Y462-A537 HydrophobicContact CD2-CB 4Å; Y462-A537 HydrophobicContact CE2-CB 3.52Å; Y462-P538 HydrophobicContact CD1-CG 4.01Å; Y462-P538 HydrophobicContact CE1-CG 3.77Å
463	G	89.6	Confident	87.4	Confident	1 Å²	1	52.3 Å²	52.3	1%	0.01	28%	0.281	C	S	.	.			trans	-175.3	112.5	172.8	0	0	0	0	0	110.4	V461 M468 W469	V461-G463 PolarHBondContact O-N 3.38Å; G463-M468 VanDerWaalsContact CA-SD 3.59Å; G463-W469 PolarHBondContact O-NE1 2.93Å
464	K	87.4	Confident	87.1	Confident	57 Å²	57	49.3 Å²	49.3	25%	0.248	26%	0.263	C	S	.	.			trans	-95.7	-12	-175.2	-63.9	-175.1	179.8	-179.8	0	113.7	V491 Y492 L510	K464-V491 WeakPolarHBondContact O-CA 3.45Å; K464-Y492 PolarHBondContact O-N 3.15Å; K464-L510 HydrophobicContact CB-CD2 4.34Å
465	D	84.8	Confident	86.9	Confident	73 Å²	73	50.3 Å²	50.3	39%	0.39	27%	0.268	S	S	.	.	S	Bend	trans	-112.4	135.9	-178.4	-172	-76.4	0	0	0	110.3	S467 M468	D465-S467 PolarHBondContact O-N 2.85Å; D465-S467 VanDerWaalsContact O-N 3.15Å; D465-S467 WeakPolarHBondContact OD1-CB 3.25Å; D465-S467 PolarHBondContact OD1-N 3.4Å; D465-S467 PolarHBondContact OD1-OG 3.24Å; D465-M468 HydrophobicContact CB-CE 3.96Å; D465-M468 HydrophobicContact CB-CG 4.21Å; D465-M468 HydrophobicContact CB-SD 4.13Å; D465-M468 VanDerWaalsContact O-CB 3.29Å; D465-M468 WeakPolarHBondContact O-CB 3.28Å; D465-M468 PolarHBondContact O-N 3.48Å
466	A	83.7	Confident	86.6	Confident	26 Å²	26	53.1 Å²	53.1	22%	0.215	28%	0.281	C	S	.	.	G	3₁₀ helix	trans	-57.3	-30	-178.1	0	0	0	0	0	112.9	M468 W469 K470 V491	A466-M468 PolarHBondContact O-N 2.81Å; A466-W469 CarbonylContact O-C 3.59Å; A466-W469 WeakPolarHBondContact O-CA 3.23Å; A466-W469 WeakPolarHBondContact O-CB 3.48Å; A466-W469 PolarHBondContact O-N 3.49Å; A466-K470 PolarHBondContact O-N 2.95Å; A466-V491 HydrophobicContact CB-CG1 4.23Å
467	S	83.9	Confident	86.8	Confident	66 Å²	66	49.8 Å²	49.8	46%	0.462	26%	0.263	S	S	.	.	G	3₁₀ helix	trans	-61.8	-27.8	175.8	67	0	0	0	0	113.4	D465 W469 K470	D465-S467 PolarHBondContact O-N 2.85Å; D465-S467 VanDerWaalsContact O-N 3.15Å; D465-S467 WeakPolarHBondContact OD1-CB 3.25Å; D465-S467 PolarHBondContact OD1-N 3.4Å; D465-S467 PolarHBondContact OD1-OG 3.24Å; S467-W469 PolarHBondContact O-N 2.97Å; S467-K470 WeakPolarHBondContact O-CG 3.43Å; S467-K470 PolarHBondContact O-N 3.42Å
468	M	87.9	Confident	86.7	Confident	38 Å²	38	46.2 Å²	46.2	19%	0.187	24%	0.244	C	C	.	.	G	3₁₀ helix	trans	-70.9	-26.6	174.8	-56.9	172	-178.7	0	0	111.2	G463 D465 A466 K474 F531	G463-M468 VanDerWaalsContact CA-SD 3.59Å; D465-M468 HydrophobicContact CB-CE 3.96Å; D465-M468 HydrophobicContact CB-CG 4.21Å; D465-M468 HydrophobicContact CB-SD 4.13Å; D465-M468 VanDerWaalsContact O-CB 3.29Å; D465-M468 WeakPolarHBondContact O-CB 3.28Å; D465-M468 PolarHBondContact O-N 3.48Å; A466-M468 PolarHBondContact O-N 2.81Å; M468-K474 WeakPolarHBondContact O-CE 3.41Å; M468-K474 PolarHBondContact O-NZ 3.47Å; M468-F531 HydrophobicContact CE-CD1 3.82Å; M468-F531 HydrophobicContact CE-CE1 3.76Å; M468-F531 HydrophobicContact CG-CD1 4.24Å; M468-F531 HydrophobicContact SD-CD1 4.47Å
469	W	86.6	Confident	86.4	Confident	2 Å²	2	48.2 Å²	48.2	1%	0.008	26%	0.257	C	S	.	.	G	3₁₀ helix	trans	-90.8	0	-179.1	-68.7	77.2	0	0	0	114.1	V461 G463 A466 S467 F471 V491 V501 V505 F529	V461-W469 HydrophobicContact CB-CH2 3.36Å; V461-W469 HydrophobicContact CB-CZ2 3.41Å; V461-W469 VanDerWaalsContact CB-CZ2 3.41Å; V461-W469 HydrophobicContact CB-CZ3 4.28Å; V461-W469 HydrophobicContact CG1-CH2 3.54Å; V461-W469 HydrophobicContact CG1-CZ2 3.29Å; V461-W469 HydrophobicContact CG1-CZ3 4.19Å; V461-W469 HydrophobicContact CG2-CH2 3.41Å; V461-W469 VanDerWaalsContact CG2-CH2 3.41Å; V461-W469 HydrophobicContact CG2-CZ2 4.03Å; V461-W469 HydrophobicContact CG2-CZ3 3.99Å; G463-W469 PolarHBondContact O-NE1 2.93Å; A466-W469 CarbonylContact O-C 3.59Å; A466-W469 WeakPolarHBondContact O-CA 3.23Å; A466-W469 WeakPolarHBondContact O-CB 3.48Å; A466-W469 PolarHBondContact O-N 3.49Å; S467-W469 PolarHBondContact O-N 2.97Å; W469-F471 PolarHBondContact O-N 2.92Å; W469-V491 HydrophobicContact CD2-CG2 4.19Å; W469-V491 HydrophobicContact CG-CG2 4.35Å; W469-V491 HydrophobicContact CZ2-CG2 3.65Å; W469-V501 HydrophobicContact CB-CG1 4.21Å; W469-V501 HydrophobicContact CD2-CG1 3.82Å; W469-V501 HydrophobicContact CE3-CB 4.34Å; W469-V501 HydrophobicContact CE3-CG1 3.96Å; W469-V501 HydrophobicContact CG-CG1 3.96Å; W469-V505 HydrophobicContact CH2-CG1 3.74Å; W469-V505 HydrophobicContact CZ3-CB 4.44Å; W469-V505 HydrophobicContact CZ3-CG1 3.82Å; W469-V505 HydrophobicContact CZ3-CG2 3.85Å; W469-F529 AromaticContact CD2-CE2 3.78Å; W469-F529 HydrophobicContact CD2-CE2 3.78Å; W469-F529 HydrophobicContact CD2-CZ 4.5Å; W469-F529 AromaticContact CE3-CE2 3.81Å; W469-F529 HydrophobicContact CE3-CE2 3.81Å; W469-F529 HydrophobicContact CE3-CZ 4.13Å; W469-F529 HydrophobicContact CG-CE2 4.23Å; W469-F529 HydrophobicContact CZ3-CE2 4.23Å; W469-F529 HydrophobicContact CZ3-CZ 4.14Å
470	K	78.8	Confident	86.3	Confident	135 Å²	135	48.9 Å²	48.9	59%	0.587	26%	0.26	S	S	*	.			trans	-42.5	115.8	172.9	-79	-178.5	178.2	-172	0	109.3	A466 S467 E472 K474	A466-K470 PolarHBondContact O-N 2.95Å; S467-K470 WeakPolarHBondContact O-CG 3.43Å; S467-K470 PolarHBondContact O-N 3.42Å; K470-E472 VanDerWaalsContact C-N 3.25Å; K470-E472 PolarHBondContact O-N 3.02Å; K470-K474 PolarHBondContact O-NZ 3.06Å
471	F	64.9	Low	86.3	Confident	90 Å²	90	48.8 Å²	48.8	40%	0.395	26%	0.26	S	S	.	.			trans	-67.3	-31	-161.7	-167.4	-126.2	0	0	0	111.7	W469 G473 K474 E475 L478 P502	W469-F471 PolarHBondContact O-N 2.92Å; F471-G473 PolarHBondContact O-N 3.09Å; F471-K474 PolarHBondContact O-N 3.27Å; F471-E475 HydrophobicContact CD1-CG 3.29Å; F471-E475 HydrophobicContact CD2-CG 4.04Å; F471-E475 HydrophobicContact CE1-CB 3.98Å; F471-E475 HydrophobicContact CE1-CG 3.09Å; F471-E475 HydrophobicContact CE2-CB 4.27Å; F471-E475 HydrophobicContact CE2-CG 3.86Å; F471-E475 HydrophobicContact CG-CG 3.78Å; F471-E475 HydrophobicContact CZ-CB 3.82Å; F471-E475 HydrophobicContact CZ-CG 3.39Å; F471-E475 VanDerWaalsContact O-OE1 3.1Å; F471-E475 VanDerWaalsContact O-OE2 3.07Å; F471-L478 HydrophobicContact CD2-CD1 4.5Å; F471-L478 HydrophobicContact CE2-CD1 4.46Å; F471-P502 HydrophobicContact CD2-CG 3.73Å; F471-P502 HydrophobicContact CE2-CB 4.32Å; F471-P502 HydrophobicContact CE2-CG 3.71Å
472	E	65.1	Low	86.3	Confident	176 Å²	176	53 Å²	53	82%	0.822	28%	0.279	S	S	*	.	T	Hydrogen-bonded Turn	trans	-52.6	116.1	178.3	-165	174.6	-169.4	0	0	111.9	K470 E475	K470-E472 VanDerWaalsContact C-N 3.25Å; K470-E472 PolarHBondContact O-N 3.02Å; E472-E475 WeakPolarHBondContact CA-OE1 3.42Å; E472-E475 PolarHBondContact N-OE1 2.57Å
473	G	73.6	Confident	86.4	Confident	55 Å²	55	60.7 Å²	60.7	57%	0.567	31%	0.308	S	S	*	.	T	Hydrogen-bonded Turn	trans	87	2.2	-179.3	0	0	0	0	0	114.8	F471 E475	F471-G473 PolarHBondContact O-N 3.09Å; G473-E475 WeakPolarHBondContact CA-OE2 3.47Å; G473-E475 PolarHBondContact N-OE2 3Å
474	K	85.5	Confident	86.8	Confident	34 Å²	34	63.2 Å²	63.2	15%	0.148	32%	0.318	C	S	.	.	T	Hydrogen-bonded Turn	trans	-118.1	-6.2	179.8	-54	-168.2	-173.7	82.7	0	114	M468 K470 F471 N476 F477 L478 F529	M468-K474 WeakPolarHBondContact O-CE 3.41Å; M468-K474 PolarHBondContact O-NZ 3.47Å; K470-K474 PolarHBondContact O-NZ 3.06Å; F471-K474 PolarHBondContact O-N 3.27Å; K474-N476 PolarHBondContact O-N 3.11Å; K474-F477 HydrophobicContact CB-CD1 4.38Å; K474-F477 HydrophobicContact CB-CE1 3.51Å; K474-F477 HydrophobicContact CB-CZ 3.6Å; K474-F477 HydrophobicContact CD-CE1 4.38Å; K474-F477 HydrophobicContact CD-CZ 4.01Å; K474-F477 HydrophobicContact CG-CE1 3.71Å; K474-F477 HydrophobicContact CG-CZ 3.82Å; K474-L478 HydrophobicContact CB-CD1 3.95Å; K474-L478 HydrophobicContact CB-CG 4.42Å; K474-L478 WeakPolarHBondContact O-CB 3.39Å; K474-L478 VanDerWaalsContact O-CG 3.27Å; K474-L478 WeakPolarHBondContact O-CG 3.46Å; K474-L478 PolarHBondContact O-N 3.42Å; K474-L478 VanDerWaalsContact O-N 3.12Å; K474-F529 HydrophobicContact CD-CD2 3.9Å; K474-F529 HydrophobicContact CD-CE2 4.17Å; K474-F529 HydrophobicContact CD-CG 4.11Å
475	E	86.4	Confident	87.3	Confident	58 Å²	58	60.7 Å²	60.7	27%	0.271	31%	0.307	S	S	.	.	H	α-helix	trans	-59.6	-47	-171.6	-59.1	92.7	160.5	0	0	112.1	F471 E472 G473 T479	F471-E475 HydrophobicContact CD1-CG 3.29Å; F471-E475 HydrophobicContact CD2-CG 4.04Å; F471-E475 HydrophobicContact CE1-CB 3.98Å; F471-E475 HydrophobicContact CE1-CG 3.09Å; F471-E475 HydrophobicContact CE2-CB 4.27Å; F471-E475 HydrophobicContact CE2-CG 3.86Å; F471-E475 HydrophobicContact CG-CG 3.78Å; F471-E475 HydrophobicContact CZ-CB 3.82Å; F471-E475 HydrophobicContact CZ-CG 3.39Å; F471-E475 VanDerWaalsContact O-OE1 3.1Å; F471-E475 VanDerWaalsContact O-OE2 3.07Å; E472-E475 WeakPolarHBondContact CA-OE1 3.42Å; E472-E475 PolarHBondContact N-OE1 2.57Å; G473-E475 WeakPolarHBondContact CA-OE2 3.47Å; G473-E475 PolarHBondContact N-OE2 3Å; E475-T479 VanDerWaalsContact O-CB 3.24Å; E475-T479 WeakPolarHBondContact O-CB 3.37Å; E475-T479 PolarHBondContact O-N 3.2Å; E475-T479 PolarHBondContact O-OG1 2.9Å
476	N	89.3	Confident	87.9	Confident	113 Å²	113	61 Å²	61	60%	0.604	31%	0.306	S	S	*	.	H	α-helix	trans	-64.5	-54.1	-173.2	-69.3	-23.1	0	0	0	111.2	K474 L478 T479 I480	K474-N476 PolarHBondContact O-N 3.11Å; N476-L478 PolarHBondContact O-N 2.91Å; N476-T479 PolarHBondContact O-N 3.31Å; N476-I480 VanDerWaalsContact O-CG1 3.3Å; N476-I480 WeakPolarHBondContact O-CG1 3.42Å; N476-I480 PolarHBondContact O-N 2.88Å
477	F	92.9	Very high	88.5	Confident	11 Å²	11	59.9 Å²	59.9	5%	0.048	30%	0.296	C	S	.	.	H	α-helix	trans	-71	-32.7	-176.4	77.8	-108	0	0	0	112.1	K474 I480 L481 I527 F529 F595 F601	K474-F477 HydrophobicContact CB-CD1 4.38Å; K474-F477 HydrophobicContact CB-CE1 3.51Å; K474-F477 HydrophobicContact CB-CZ 3.6Å; K474-F477 HydrophobicContact CD-CE1 4.38Å; K474-F477 HydrophobicContact CD-CZ 4.01Å; K474-F477 HydrophobicContact CG-CE1 3.71Å; K474-F477 HydrophobicContact CG-CZ 3.82Å; F477-I480 PolarHBondContact O-N 3.29Å; F477-L481 VanDerWaalsContact O-CB 3.29Å; F477-L481 WeakPolarHBondContact O-CB 3.4Å; F477-L481 PolarHBondContact O-N 3.47Å; F477-I527 HydrophobicContact CD2-CD1 4.26Å; F477-I527 HydrophobicContact CE2-CD1 4.17Å; F477-F529 AromaticContact CE2-CD1 3.98Å; F477-F529 HydrophobicContact CE2-CD1 3.98Å; F477-F529 AromaticContact CE2-CE1 3.65Å; F477-F529 HydrophobicContact CE2-CE1 3.65Å; F477-F529 AromaticContact CZ-CD1 3.83Å; F477-F529 HydrophobicContact CZ-CD1 3.83Å; F477-F529 AromaticContact CZ-CE1 3.86Å; F477-F529 HydrophobicContact CZ-CE1 3.86Å; F477-F595 HydrophobicContact CD1-CB 4.19Å; F477-F595 HydrophobicContact CD1-CD2 4Å; F477-F595 HydrophobicContact CD2-CD2 4.25Å; F477-F595 AromaticContact CE1-CD2 3.88Å; F477-F595 HydrophobicContact CE1-CD2 3.88Å; F477-F595 HydrophobicContact CE2-CD2 4.18Å; F477-F595 HydrophobicContact CE2-CE2 4.29Å; F477-F595 HydrophobicContact CG-CD2 4.19Å; F477-F595 HydrophobicContact CZ-CD2 4Å; F477-F595 HydrophobicContact CZ-CE2 4.39Å; F477-F601 HydrophobicContact CB-CD1 3.99Å; F477-F601 HydrophobicContact CB-CD2 3.93Å; F477-F601 HydrophobicContact CB-CE1 3.85Å; F477-F601 HydrophobicContact CB-CE2 3.79Å; F477-F601 HydrophobicContact CB-CG 4.04Å; F477-F601 HydrophobicContact CB-CZ 3.75Å; F477-F601 HydrophobicContact CD2-CE2 4.12Å; F477-F601 AromaticContact CD2-CZ 3.88Å; F477-F601 HydrophobicContact CD2-CZ 3.88Å; F477-F601 HydrophobicContact CG-CE2 4.19Å; F477-F601 HydrophobicContact CG-CZ 4.21Å; F477-F601 VanDerWaalsContact O-CE1 3.32Å; F477-F601 WeakPolarHBondContact O-CE1 3.35Å
478	L	93.6	Very high	89.2	Confident	1 Å²	1	57.3 Å²	57.3	1%	0.005	28%	0.277	C	S	.	.	H	α-helix	trans	-67.3	-39.7	173.8	-72.6	175.7	0	0	0	111.8	F471 K474 N476 L481 H482 I487 P502 F504 F529	F471-L478 HydrophobicContact CD2-CD1 4.5Å; F471-L478 HydrophobicContact CE2-CD1 4.46Å; K474-L478 HydrophobicContact CB-CD1 3.95Å; K474-L478 HydrophobicContact CB-CG 4.42Å; K474-L478 WeakPolarHBondContact O-CB 3.39Å; K474-L478 VanDerWaalsContact O-CG 3.27Å; K474-L478 WeakPolarHBondContact O-CG 3.46Å; K474-L478 PolarHBondContact O-N 3.42Å; K474-L478 VanDerWaalsContact O-N 3.12Å; N476-L478 PolarHBondContact O-N 2.91Å; L478-L481 PolarHBondContact O-N 3.49Å; L478-H482 WeakPolarHBondContact O-CB 3.35Å; L478-H482 PolarHBondContact O-N 3.36Å; L478-I487 HydrophobicContact CD2-CD1 4.28Å; L478-P502 HydrophobicContact CD1-CG 4.38Å; L478-F504 HydrophobicContact CB-CZ 4.27Å; L478-F529 HydrophobicContact CD1-CZ 4.34Å; L478-F529 HydrophobicContact CD2-CE1 3.94Å; L478-F529 HydrophobicContact CD2-CZ 3.8Å
479	T	93.3	Very high	89.5	Confident	57 Å²	57	55.5 Å²	55.5	35%	0.35	27%	0.268	S	S	.	.	H	α-helix	trans	-63.8	-43.1	175.1	-60.2	0	0	0	0	111	E475 N476 H482 R483	E475-T479 VanDerWaalsContact O-CB 3.24Å; E475-T479 WeakPolarHBondContact O-CB 3.37Å; E475-T479 PolarHBondContact O-N 3.2Å; E475-T479 PolarHBondContact O-OG1 2.9Å; N476-T479 PolarHBondContact O-N 3.31Å; T479-H482 PolarHBondContact O-N 2.84Å; T479-R483 WeakPolarHBondContact O-CG 3.32Å; T479-R483 PolarHBondContact O-N 3.36Å
480	I	96	Very high	89.8	Confident	13 Å²	13	55.7 Å²	55.7	7%	0.067	27%	0.27	C	S	.	.	H	α-helix	trans	-62.3	-49.8	175.5	-67.4	165.4	0	0	0	110	N476 F477 H482 R483 Y484 F601 D602	N476-I480 VanDerWaalsContact O-CG1 3.3Å; N476-I480 WeakPolarHBondContact O-CG1 3.42Å; N476-I480 PolarHBondContact O-N 2.88Å; F477-I480 PolarHBondContact O-N 3.29Å; I480-H482 VanDerWaalsContact C-N 3.29Å; I480-H482 PolarHBondContact O-N 3.34Å; I480-R483 WeakPolarHBondContact O-CB 3.2Å; I480-R483 PolarHBondContact O-N 3.43Å; I480-R483 VanDerWaalsContact O-N 3.12Å; I480-Y484 HydrophobicContact CG2-CE2 4.12Å; I480-Y484 WeakPolarHBondContact O-CD2 3.39Å; I480-F601 HydrophobicContact CB-CD1 4.15Å; I480-F601 HydrophobicContact CB-CE1 4.43Å; I480-F601 HydrophobicContact CG2-CD1 3.85Å; I480-F601 HydrophobicContact CG2-CE1 4.3Å; I480-D602 HydrophobicContact CG2-CB 3.94Å; I480-D602 WeakPolarHBondContact CG2-OD1 3.48Å
481	L	96.8	Very high	90.4	Very high	0 Å²	0	49.3 Å²	49.3	0%	0	24%	0.242	C	C	.	.	H	α-helix	trans	-57	-42.9	179.2	-179.6	61.8	0	0	0	112	A459 F477 L478 R483 Y484 M485 I487 L525 I527 F601 I605	A459-L481 HydrophobicContact CB-CD1 4.32Å; A459-L481 HydrophobicContact CB-CD2 4.13Å; F477-L481 VanDerWaalsContact O-CB 3.29Å; F477-L481 WeakPolarHBondContact O-CB 3.4Å; F477-L481 PolarHBondContact O-N 3.47Å; L478-L481 PolarHBondContact O-N 3.49Å; L481-R483 PolarHBondContact O-N 2.59Å; L481-Y484 PolarHBondContact O-N 3.41Å; L481-M485 HydrophobicContact CD1-CB 4.24Å; L481-M485 HydrophobicContact CD1-CG 4.28Å; L481-M485 HydrophobicContact CD1-SD 4.01Å; L481-M485 PolarHBondContact O-N 3.2Å; L481-I487 HydrophobicContact CB-CD1 4.13Å; L481-I487 HydrophobicContact CD2-CD1 3.88Å; L481-I487 HydrophobicContact CD2-CG1 3.95Å; L481-I487 HydrophobicContact CG-CD1 3.93Å; L481-I487 HydrophobicContact CG-CG1 4.03Å; L481-L525 HydrophobicContact CD1-CD2 3.69Å; L481-I527 HydrophobicContact CD2-CD1 3.9Å; L481-I527 HydrophobicContact CD2-CG2 4.25Å; L481-F601 HydrophobicContact CB-CE1 4.21Å; L481-I605 HydrophobicContact CD1-CD1 3.86Å; L481-I605 HydrophobicContact CD1-CG1 4.41Å
482	H	96.6	Very high	91.4	Very high	88 Å²	88	48.1 Å²	48.1	41%	0.407	24%	0.235	S	C	.	.	H	α-helix	trans	-62.8	-25.2	-179.1	-174	43.2	0	0	0	113.4	L478 T479 I480 Y484 M485 I487 F504	L478-H482 WeakPolarHBondContact O-CB 3.35Å; L478-H482 PolarHBondContact O-N 3.36Å; T479-H482 PolarHBondContact O-N 2.84Å; I480-H482 VanDerWaalsContact C-N 3.29Å; I480-H482 PolarHBondContact O-N 3.34Å; H482-Y484 PolarHBondContact O-N 3.38Å; H482-M485 WeakPolarHBondContact CA-O 3.47Å; H482-I487 HydrophobicContact CB-CD1 3.91Å; H482-F504 HydrophobicContact CB-CD2 4.31Å; H482-F504 HydrophobicContact CB-CE2 4.39Å; H482-F504 AromaticContact CD2-CG 3.87Å; H482-F504 AromaticContact CG-CD2 3.95Å; H482-F504 WeakPolarHBondContact NE2-CB 3.38Å
483	R	96.9	Very high	92.2	Very high	180 Å²	180	44.6 Å²	44.6	68%	0.679	22%	0.215	S	C	*	.	H	α-helix	trans	-66.3	-25.1	174.5	-64.9	170.1	-173.9	177.1	0.8	112.9	T479 I480 L481	T479-R483 WeakPolarHBondContact O-CG 3.32Å; T479-R483 PolarHBondContact O-N 3.36Å; I480-R483 WeakPolarHBondContact O-CB 3.2Å; I480-R483 PolarHBondContact O-N 3.43Å; I480-R483 VanDerWaalsContact O-N 3.12Å; L481-R483 PolarHBondContact O-N 2.59Å
484	Y	97.7	Very high	92.3	Very high	55 Å²	55	47 Å²	47	22%	0.216	21%	0.212	C	C	.	.	H	α-helix	trans	-110.5	-29.6	-175.6	-59.1	-82.8	0	0	0	113.3	N457 I480 L481 H482 D602 I605 R606	N457-Y484 WeakPolarHBondContact CB-O 3.42Å; I480-Y484 HydrophobicContact CG2-CE2 4.12Å; I480-Y484 WeakPolarHBondContact O-CD2 3.39Å; L481-Y484 PolarHBondContact O-N 3.41Å; H482-Y484 PolarHBondContact O-N 3.38Å; Y484-D602 WeakPolarHBondContact CE2-OD1 3.36Å; Y484-D602 VanDerWaalsContact CZ-OD1 3.3Å; Y484-D602 VanDerWaalsContact OH-CG 3.3Å; Y484-D602 PolarHBondContact OH-OD1 3.44Å; Y484-D602 PolarHBondContact OH-OD2 2.88Å; Y484-I605 HydrophobicContact CD1-CG2 4.4Å; Y484-I605 HydrophobicContact CD2-CB 4.24Å; Y484-I605 HydrophobicContact CD2-CG2 3.5Å; Y484-I605 HydrophobicContact CE2-CG2 4.22Å; Y484-I605 HydrophobicContact CG-CG2 3.61Å; Y484-R606 HydrophobicContact CE1-CG 4.02Å; Y484-R606 PolarHBondContact OH-NE 2.92Å; Y484-R606 VanDerWaalsContact OH-NE 3.14Å; Y484-R606 PolarHBondContact OH-NH2 3.31Å
485	M	97.9	Very high	91.3	Very high	3 Å²	3	52 Å²	52	2%	0.015	25%	0.245	C	C	.	.	S	Bend	trans	-138.9	148	-171	-58.2	-171.8	175.6	0	0	112.9	N457 A459 L481 H482 K524 L525 I608 M609	N457-M485 CarbonylContact O-C 3.36Å; N457-M485 WeakPolarHBondContact O-CA 3.21Å; N457-M485 WeakPolarHBondContact O-CB 3.42Å; A459-M485 HydrophobicContact CB-CB 4.18Å; A459-M485 HydrophobicContact CB-SD 3.9Å; L481-M485 HydrophobicContact CD1-CB 4.24Å; L481-M485 HydrophobicContact CD1-CG 4.28Å; L481-M485 HydrophobicContact CD1-SD 4.01Å; L481-M485 PolarHBondContact O-N 3.2Å; H482-M485 WeakPolarHBondContact CA-O 3.47Å; M485-K524 HydrophobicContact CE-CD 4.47Å; M485-L525 HydrophobicContact CE-CB 4.22Å; M485-L525 HydrophobicContact CE-CD2 4.39Å; M485-L525 HydrophobicContact SD-CB 3.79Å; M485-L525 HydrophobicContact SD-CD2 3.84Å; M485-L525 HydrophobicContact SD-CG 4.49Å; M485-I608 HydrophobicContact CE-CG2 3.84Å; M485-M609 HydrophobicContact CE-CG 4.45Å; M485-M609 HydrophobicContact CE-SD 3.31Å; M485-M609 WeakPolarHBondContact CE-SD 3.43Å; M485-M609 HydrophobicContact CG-SD 4.24Å
486	E	97.9	Very high	90.3	Very high	81 Å²	81	57.9 Å²	57.9	38%	0.379	27%	0.273	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-70	130.7	162.4	-59.8	-164	137.5	0	0	109.6	N457 A459 H488 K506	N457-E486 PolarHBondContact O-N 3.21Å; A459-E486 PolarHBondContact N-O 3.13Å; E486-H488 IonicContact OE2-NE2 3.66Å; E486-K506 IonicContact OE1-NZ 3.71Å; E486-K506 PolarHBondContact OE1-NZ 3.35Å; E486-K506 IonicContact OE2-NZ 2.65Å; E486-K506 PolarHBondContact OE2-NZ 3.18Å
487	I	97.5	Very high	89.2	Confident	1 Å²	1	61.9 Å²	61.9	1%	0.005	28%	0.279	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.6	122.3	-176.5	-58.5	173.9	0	0	0	109	V461 L478 L481 H482 F504 V505 K506	V461-I487 HydrophobicContact CG2-CG2 3.63Å; L478-I487 HydrophobicContact CD2-CD1 4.28Å; L481-I487 HydrophobicContact CB-CD1 4.13Å; L481-I487 HydrophobicContact CD2-CD1 3.88Å; L481-I487 HydrophobicContact CD2-CG1 3.95Å; L481-I487 HydrophobicContact CG-CD1 3.93Å; L481-I487 HydrophobicContact CG-CG1 4.03Å; H482-I487 HydrophobicContact CB-CD1 3.91Å; I487-F504 HydrophobicContact CD1-CD2 4.19Å; I487-F504 HydrophobicContact CD1-CE2 3.82Å; I487-V505 HydrophobicContact CB-CG2 4.4Å; I487-V505 HydrophobicContact CG2-CG1 4.41Å; I487-V505 HydrophobicContact CG2-CG2 4.02Å; I487-V505 WeakPolarHBondContact O-CA 3.15Å; I487-K506 PolarHBondContact O-N 2.89Å
488	H	97.4	Very high	87.9	Confident	12 Å²	12	66.8 Å²	66.8	6%	0.056	31%	0.312	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.6	143.5	178.8	-65.9	-94.9	0	0	0	111.4	A459 V460 V461 E486 K506 H508	A459-H488 WeakPolarHBondContact O-CB 3.3Å; A459-H488 PolarHBondContact O-N 3.04Å; V460-H488 HydrophobicContact CG2-CB 4.13Å; V461-H488 PolarHBondContact N-O 3.11Å; E486-H488 IonicContact OE2-NE2 3.66Å; H488-K506 WeakPolarHBondContact CA-O 3.28Å; H488-H508 AromaticContact CE1-NE2 3.81Å; H488-H508 AromaticContact CG-NE2 3.64Å; H488-H508 AromaticContact ND1-CD2 3.82Å; H488-H508 AromaticContact ND1-CE1 3.63Å; H488-H508 AromaticContact ND1-NE2 2.85Å; H488-H508 PolarHBondContact ND1-NE2 2.91Å
489	G	94.6	Very high	86.6	Confident	0 Å²	0	68 Å²	68	0%	0	32%	0.32	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.3	158.6	175.4	0	0	0	0	0	111.9	K506 N507 H508	G489-K506 PolarHBondContact N-O 3.43Å; G489-K506 VanDerWaalsContact N-O 3.1Å; G489-N507 VanDerWaalsContact C-OD1 3.27Å; G489-N507 PolarHBondContact O-OD1 3.15Å; G489-N507 VanDerWaalsContact O-OD1 3.08Å; G489-H508 PolarHBondContact O-CD2 3.48Å; G489-H508 PolarHBondContact O-N 2.95Å
490	T	93.6	Very high	85.9	Confident	7 Å²	7	72.7 Å²	72.7	4%	0.043	34%	0.338	C	S	.	.			trans	-125.7	56.7	171.7	61.5	0	0	0	0	109.7	G509 L511 L516 L519	T490-G509 CarbonylContact C-O 3.56Å; T490-G509 VanDerWaalsContact C-O 3.28Å; T490-G509 WeakPolarHBondContact CA-O 3.26Å; T490-G509 VanDerWaalsContact CB-O 3.25Å; T490-G509 WeakPolarHBondContact CB-O 3.32Å; T490-L511 HydrophobicContact CG2-CD1 3.79Å; T490-L511 HydrophobicContact CG2-CG 4.09Å; T490-L516 HydrophobicContact CG2-CD1 4.27Å; T490-L519 HydrophobicContact CG2-CD2 4.03Å
491	V	90.2	Very high	85.4	Confident	0 Å²	0	73.6 Å²	73.6	0%	0	34%	0.344	C	S	.	.			trans	-90.5	131.2	-170.9	-168.7	0	0	0	0	109.6	K464 A466 W469 Y493 P499 V501 N507 G509	K464-V491 WeakPolarHBondContact O-CA 3.45Å; A466-V491 HydrophobicContact CB-CG1 4.23Å; W469-V491 HydrophobicContact CD2-CG2 4.19Å; W469-V491 HydrophobicContact CG-CG2 4.35Å; W469-V491 HydrophobicContact CZ2-CG2 3.65Å; V491-Y493 WeakPolarHBondContact O-CD1 3.44Å; V491-P499 HydrophobicContact CG1-CB 4.25Å; V491-V501 HydrophobicContact CB-CG1 4.35Å; V491-V501 HydrophobicContact CG1-CG1 4.43Å; V491-V501 HydrophobicContact CG2-CG1 3.86Å; V491-N507 PolarHBondContact N-OD1 3.31Å; V491-N507 PolarHBondContact O-ND2 3.01Å; V491-N507 VanDerWaalsContact O-ND2 3.16Å; V491-G509 WeakPolarHBondContact O-CA 3.49Å
492	Y	86.8	Confident	84.9	Confident	65 Å²	65	74.4 Å²	74.4	26%	0.255	35%	0.349	S	S	.	.			trans	-62.7	139.1	172.2	178.2	-105.7	0	0	0	111.3	K303 K464 E494 L510	K303-Y492 HydrophobicContact CB-CD1 4.16Å; K303-Y492 HydrophobicContact CB-CD2 4.32Å; K303-Y492 HydrophobicContact CB-CE1 4.08Å; K303-Y492 HydrophobicContact CB-CE2 4.23Å; K303-Y492 HydrophobicContact CB-CG 4.26Å; K303-Y492 HydrophobicContact CD-CE1 3.78Å; K303-Y492 WeakPolarHBondContact CE-OH 3.38Å; K303-Y492 HydrophobicContact CG-CE1 3.95Å; K303-Y492 HydrophobicContact CG-CE2 4.02Å; K464-Y492 PolarHBondContact O-N 3.15Å; Y492-E494 HydrophobicContact CE1-CG 4Å; Y492-E494 WeakPolarHBondContact OH-CG 3.46Å; Y492-L510 HydrophobicContact CD2-CD1 3.5Å; Y492-L510 VanDerWaalsContact CD2-CD1 3.5Å; Y492-L510 HydrophobicContact CD2-CG 4Å; Y492-L510 HydrophobicContact CE2-CD1 4.41Å; Y492-L510 HydrophobicContact CG-CD1 4.13Å; Y492-L510 HydrophobicContact CG-CG 4.46Å
493	Y	81.3	Confident	84.6	Confident	103 Å²	103	75.4 Å²	75.4	40%	0.404	37%	0.373	S	S	.	.			trans	-146.8	148	168.5	62	-82.2	0	0	0	109.8	V491 P499	V491-Y493 WeakPolarHBondContact O-CD1 3.44Å; Y493-P499 HydrophobicContact CD1-CG 3.82Å; Y493-P499 HydrophobicContact CG-CG 3.93Å
494	E	75.4	Confident	84.3	Confident	106 Å²	106	69.8 Å²	69.8	50%	0.495	35%	0.353	S	S	.	.			trans	-80.1	137.8	169.7	-70.6	179.3	177.8	0	0	107.8	K303 Y492 Q496 R497	K303-E494 IonicContact NZ-OE1 2.7Å; K303-E494 PolarHBondContact NZ-OE1 3.33Å; K303-E494 VanDerWaalsContact NZ-OE1 3.09Å; Y492-E494 HydrophobicContact CE1-CG 4Å; Y492-E494 WeakPolarHBondContact OH-CG 3.46Å; E494-Q496 PolarHBondContact O-N 3.39Å; E494-R497 CarbonylContact O-C 3.6Å; E494-R497 PolarHBondContact O-N 3.12Å
495	T	65.7	Low	84	Confident	138 Å²	138	67.8 Å²	67.8	85%	0.847	35%	0.347	S	S	*	.	T	Hydrogen-bonded Turn	trans	-53.8	-18	-173.2	40.9	0	0	0	0	114.7
496	Q	64.3	Low	83.9	Confident	182 Å²	182	72.3 Å²	72.3	85%	0.85	37%	0.366	S	S	*	.	T	Hydrogen-bonded Turn	trans	-93.5	-8.4	179.5	-58.6	-174.5	18.8	0	0	114.6	E494	E494-Q496 PolarHBondContact O-N 3.39Å
497	R	67.1	Low	83.7	Confident	196 Å²	196	70.2 Å²	70.2	74%	0.74	36%	0.358	S	S	*	.	S	Bend	trans	-139.4	115.8	177.7	-67.5	-174.7	-176.4	179.8	1.4	110.2	E494	E494-R497 CarbonylContact O-C 3.6Å; E494-R497 PolarHBondContact O-N 3.12Å
498	P	64.9	Low	83.5	Confident	114 Å²	114	74 Å²	74	74%	0.74	38%	0.375	S	S	*	.			trans	-61.1	145.8	174.9	26	-32	0	0	0	110
499	P	67.7	Low	83.2	Confident	27 Å²	27	73.7 Å²	73.7	18%	0.175	38%	0.376	C	S	.	.			trans	-65.6	146.2	-178.3	19.4	-20.4	0	0	0	110.9	V491 Y493 V501 N507	V491-P499 HydrophobicContact CG1-CB 4.25Å; Y493-P499 HydrophobicContact CD1-CG 3.82Å; Y493-P499 HydrophobicContact CG-CG 3.93Å; P499-V501 HydrophobicContact CB-CG1 4.33Å; P499-V501 HydrophobicContact CB-CG2 4.46Å; P499-V501 HydrophobicContact CG-CG2 4.22Å; P499-V501 PolarHBondContact O-N 3.07Å; P499-N507 VanDerWaalsContact CG-ND2 3.3Å; P499-N507 WeakPolarHBondContact CG-ND2 3.43Å
500	E	76.7	Confident	82.9	Confident	156 Å²	156	76.5 Å²	76.5	73%	0.729	39%	0.39	S	S	*	.	S	Bend	trans	-72	72.6	171.4	-68.2	179.3	-176.3	0	0	110.2
501	V	85.9	Confident	82.8	Confident	31 Å²	31	78.1 Å²	78.1	19%	0.188	40%	0.398	C	S	.	.			trans	-121.4	150.2	171.9	-64.3	0	0	0	0	109.8	W469 V491 P499 V505 N507	W469-V501 HydrophobicContact CB-CG1 4.21Å; W469-V501 HydrophobicContact CD2-CG1 3.82Å; W469-V501 HydrophobicContact CE3-CB 4.34Å; W469-V501 HydrophobicContact CE3-CG1 3.96Å; W469-V501 HydrophobicContact CG-CG1 3.96Å; V491-V501 HydrophobicContact CB-CG1 4.35Å; V491-V501 HydrophobicContact CG1-CG1 4.43Å; V491-V501 HydrophobicContact CG2-CG1 3.86Å; P499-V501 HydrophobicContact CB-CG1 4.33Å; P499-V501 HydrophobicContact CB-CG2 4.46Å; P499-V501 HydrophobicContact CG-CG2 4.22Å; P499-V501 PolarHBondContact O-N 3.07Å; V501-V505 HydrophobicContact CB-CB 4.48Å; V501-V505 HydrophobicContact CG2-CB 4.5Å; V501-N507 HydrophobicContact CG2-CB 4.43Å
502	P	87.8	Confident	82.7	Confident	17 Å²	17	81.6 Å²	81.6	11%	0.11	42%	0.421	C	S	.	.			trans	-56	142.9	177.4	-24.4	32.5	0	0	0	112.5	F471 L478 F504 V505	F471-P502 HydrophobicContact CD2-CG 3.73Å; F471-P502 HydrophobicContact CE2-CB 4.32Å; F471-P502 HydrophobicContact CE2-CG 3.71Å; L478-P502 HydrophobicContact CD1-CG 4.38Å; P502-F504 HydrophobicContact CB-CD1 4.08Å; P502-F504 HydrophobicContact CB-CD2 4.29Å; P502-F504 HydrophobicContact CB-CE1 3.58Å; P502-F504 HydrophobicContact CB-CE2 3.8Å; P502-F504 HydrophobicContact CB-CG 4.42Å; P502-F504 HydrophobicContact CB-CZ 3.42Å; P502-F504 VanDerWaalsContact CB-CZ 3.42Å; P502-F504 HydrophobicContact CG-CE2 4.39Å; P502-F504 HydrophobicContact CG-CZ 4.03Å; P502-F504 PolarHBondContact O-N 2.65Å; P502-F504 VanDerWaalsContact O-N 3.08Å; P502-V505 HydrophobicContact CB-CG2 4.03Å; P502-V505 HydrophobicContact CG-CG2 4.22Å; P502-V505 VanDerWaalsContact O-CB 3.27Å; P502-V505 WeakPolarHBondContact O-CB 3.36Å; P502-V505 WeakPolarHBondContact O-CG2 3.36Å; P502-V505 PolarHBondContact O-N 2.9Å
503	A	88.4	Confident	82.7	Confident	109 Å²	109	80.4 Å²	80.4	90%	0.901	42%	0.418	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.1	-25.7	-172.1	0	0	0	0	0	114.6	V505	A503-V505 VanDerWaalsContact C-N 3.25Å; A503-V505 PolarHBondContact O-N 3.4Å
504	F	91.4	Very high	83	Confident	62 Å²	62	82.3 Å²	82.3	27%	0.272	43%	0.43	S	S	.	.	T	Hydrogen-bonded Turn	trans	-78.3	-5.9	176.4	54.4	-105.2	0	0	0	113.8	L478 H482 I487 P502	L478-F504 HydrophobicContact CB-CZ 4.27Å; H482-F504 HydrophobicContact CB-CD2 4.31Å; H482-F504 HydrophobicContact CB-CE2 4.39Å; H482-F504 AromaticContact CD2-CG 3.87Å; H482-F504 AromaticContact CG-CD2 3.95Å; H482-F504 WeakPolarHBondContact NE2-CB 3.38Å; I487-F504 HydrophobicContact CD1-CD2 4.19Å; I487-F504 HydrophobicContact CD1-CE2 3.82Å; P502-F504 HydrophobicContact CB-CD1 4.08Å; P502-F504 HydrophobicContact CB-CD2 4.29Å; P502-F504 HydrophobicContact CB-CE1 3.58Å; P502-F504 HydrophobicContact CB-CE2 3.8Å; P502-F504 HydrophobicContact CB-CG 4.42Å; P502-F504 HydrophobicContact CB-CZ 3.42Å; P502-F504 VanDerWaalsContact CB-CZ 3.42Å; P502-F504 HydrophobicContact CG-CE2 4.39Å; P502-F504 HydrophobicContact CG-CZ 4.03Å; P502-F504 PolarHBondContact O-N 2.65Å; P502-F504 VanDerWaalsContact O-N 3.08Å
505	V	92.5	Very high	83.9	Confident	14 Å²	14	81.7 Å²	81.7	9%	0.085	43%	0.428	C	S	.	.			trans	-84.5	124.8	-179.5	177.8	0	0	0	0	110.3	W469 I487 V501 P502 A503 N507	W469-V505 HydrophobicContact CH2-CG1 3.74Å; W469-V505 HydrophobicContact CZ3-CB 4.44Å; W469-V505 HydrophobicContact CZ3-CG1 3.82Å; W469-V505 HydrophobicContact CZ3-CG2 3.85Å; I487-V505 HydrophobicContact CB-CG2 4.4Å; I487-V505 HydrophobicContact CG2-CG1 4.41Å; I487-V505 HydrophobicContact CG2-CG2 4.02Å; I487-V505 WeakPolarHBondContact O-CA 3.15Å; V501-V505 HydrophobicContact CB-CB 4.48Å; V501-V505 HydrophobicContact CG2-CB 4.5Å; P502-V505 HydrophobicContact CB-CG2 4.03Å; P502-V505 HydrophobicContact CG-CG2 4.22Å; P502-V505 VanDerWaalsContact O-CB 3.27Å; P502-V505 WeakPolarHBondContact O-CB 3.36Å; P502-V505 WeakPolarHBondContact O-CG2 3.36Å; P502-V505 PolarHBondContact O-N 2.9Å; A503-V505 VanDerWaalsContact C-N 3.25Å; A503-V505 PolarHBondContact O-N 3.4Å; V505-N507 PolarHBondContact O-N 3.4Å; V505-N507 VanDerWaalsContact O-N 3.16Å
506	K	95	Very high	85.2	Confident	97 Å²	97	75.7 Å²	75.7	42%	0.422	39%	0.39	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.7	90.3	171.6	-66.1	-178.8	-176.2	179.2	0	109.4	E486 I487 H488 G489	E486-K506 IonicContact OE1-NZ 3.71Å; E486-K506 PolarHBondContact OE1-NZ 3.35Å; E486-K506 IonicContact OE2-NZ 2.65Å; E486-K506 PolarHBondContact OE2-NZ 3.18Å; I487-K506 PolarHBondContact O-N 2.89Å; H488-K506 WeakPolarHBondContact CA-O 3.28Å; G489-K506 PolarHBondContact N-O 3.43Å; G489-K506 VanDerWaalsContact N-O 3.1Å
507	N	93.5	Very high	86.5	Confident	38 Å²	38	67.2 Å²	67.2	20%	0.203	35%	0.351	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.9	128	177.1	-172.2	34.5	0	0	0	111.7	G489 V491 P499 V501 V505 G509	G489-N507 VanDerWaalsContact C-OD1 3.27Å; G489-N507 PolarHBondContact O-OD1 3.15Å; G489-N507 VanDerWaalsContact O-OD1 3.08Å; V491-N507 PolarHBondContact N-OD1 3.31Å; V491-N507 PolarHBondContact O-ND2 3.01Å; V491-N507 VanDerWaalsContact O-ND2 3.16Å; P499-N507 VanDerWaalsContact CG-ND2 3.3Å; P499-N507 WeakPolarHBondContact CG-ND2 3.43Å; V501-N507 HydrophobicContact CG2-CB 4.43Å; V505-N507 PolarHBondContact O-N 3.4Å; V505-N507 VanDerWaalsContact O-N 3.16Å; N507-G509 PolarHBondContact OD1-N 3.47Å
508	H	93.3	Very high	87.8	Confident	79 Å²	79	62.6 Å²	62.6	37%	0.366	34%	0.337	S	S	.	.			trans	-97.2	-0.8	178.6	-60.9	-84.2	0	0	0	113.6	H488 G489 L511 L519	H488-H508 AromaticContact CE1-NE2 3.81Å; H488-H508 AromaticContact CG-NE2 3.64Å; H488-H508 AromaticContact ND1-CD2 3.82Å; H488-H508 AromaticContact ND1-CE1 3.63Å; H488-H508 AromaticContact ND1-NE2 2.85Å; H488-H508 PolarHBondContact ND1-NE2 2.91Å; G489-H508 PolarHBondContact O-CD2 3.48Å; G489-H508 PolarHBondContact O-N 2.95Å; H508-L511 HydrophobicContact CB-CD1 4.01Å; H508-L511 HydrophobicContact CB-CD2 3.99Å; H508-L511 HydrophobicContact CB-CG 4.07Å; H508-L519 WeakPolarHBondContact NE2-CD1 3.33Å
509	G	90.9	Very high	89.3	Confident	6 Å²	6	57.8 Å²	57.8	6%	0.062	31%	0.306	C	S	.	.			trans	69.8	-167	-169.9	0	0	0	0	0	112.2	T490 V491 N507 L511	T490-G509 CarbonylContact C-O 3.56Å; T490-G509 VanDerWaalsContact C-O 3.28Å; T490-G509 WeakPolarHBondContact CA-O 3.26Å; T490-G509 VanDerWaalsContact CB-O 3.25Å; T490-G509 WeakPolarHBondContact CB-O 3.32Å; V491-G509 WeakPolarHBondContact O-CA 3.49Å; N507-G509 PolarHBondContact OD1-N 3.47Å; G509-L511 PolarHBondContact O-N 3.09Å
510	L	89.5	Confident	90.7	Very high	59 Å²	59	56.7 Å²	56.7	31%	0.309	30%	0.298	S	S	.	.	S	Bend	trans	-75.6	118	173.1	-64.5	-177.9	0	0	0	110	L302 K303 G304 K464 Y492	L302-L510 VanDerWaalsContact O-CD1 3.32Å; L302-L510 WeakPolarHBondContact O-CD1 3.35Å; K303-L510 VanDerWaalsContact C-CD1 3.43Å; G304-L510 VanDerWaalsContact N-CD1 3.26Å; K464-L510 HydrophobicContact CB-CD2 4.34Å; Y492-L510 HydrophobicContact CD2-CD1 3.5Å; Y492-L510 VanDerWaalsContact CD2-CD1 3.5Å; Y492-L510 HydrophobicContact CD2-CG 4Å; Y492-L510 HydrophobicContact CE2-CD1 4.41Å; Y492-L510 HydrophobicContact CG-CD1 4.13Å; Y492-L510 HydrophobicContact CG-CG 4.46Å
511	L	90.3	Very high	91.6	Very high	41 Å²	41	52.1 Å²	52.1	22%	0.215	27%	0.274	C	S	.	.	P	Polyproline II helix	trans	-91.6	140.1	178.4	-65.8	179.5	0	0	0	111.4	T490 H508 G509 E515 L516 L519	T490-L511 HydrophobicContact CG2-CD1 3.79Å; T490-L511 HydrophobicContact CG2-CG 4.09Å; H508-L511 HydrophobicContact CB-CD1 4.01Å; H508-L511 HydrophobicContact CB-CD2 3.99Å; H508-L511 HydrophobicContact CB-CG 4.07Å; G509-L511 PolarHBondContact O-N 3.09Å; L511-E515 HydrophobicContact CB-CB 4.18Å; L511-E515 HydrophobicContact CD2-CB 4.24Å; L511-L516 HydrophobicContact CB-CB 4.23Å; L511-L519 HydrophobicContact CD1-CB 4.43Å; L511-L519 HydrophobicContact CD1-CD2 3.97Å
512	P	87.9	Confident	92	Very high	74 Å²	74	56.3 Å²	56.3	48%	0.481	29%	0.29	S	S	.	.	P	Polyproline II helix	trans	-55.1	153.9	160	-22.8	33.9	0	0	0	111.2	Q514 E515 L516	P512-Q514 VanDerWaalsContact C-N 3.28Å; P512-Q514 PolarHBondContact O-N 3.38Å; P512-Q514 VanDerWaalsContact O-N 3.17Å; P512-E515 PolarHBondContact O-N 3.42Å; P512-E515 VanDerWaalsContact O-N 3.07Å; P512-L516 PolarHBondContact O-N 3.04Å
513	Q	87.1	Confident	92.5	Very high	39 Å²	39	55.5 Å²	55.5	18%	0.182	29%	0.285	C	S	.	.	H	α-helix	trans	-55.7	-40.8	-174	-173.7	66.2	21.7	0	0	113.4	E515 L516 Q517 E540	Q513-E515 VanDerWaalsContact C-N 3.35Å; Q513-E515 PolarHBondContact O-N 3.29Å; Q513-L516 PolarHBondContact O-N 3.46Å; Q513-Q517 HydrophobicContact CG-CG 4.39Å; Q513-Q517 WeakPolarHBondContact O-CB 3.05Å; Q513-Q517 WeakPolarHBondContact O-CG 3.45Å; Q513-Q517 PolarHBondContact O-N 2.85Å; Q513-E540 PolarHBondContact NE2-OE1 3.07Å; Q513-E540 PolarHBondContact NE2-OE2 3.45Å
514	Q	88.4	Confident	92.9	Very high	143 Å²	143	50.8 Å²	50.8	67%	0.668	24%	0.244	S	C	*	.	H	α-helix	trans	-64.7	-39.2	-179.6	-173.1	177.5	4	0	0	112.3	P512 Q517 Q518	P512-Q514 VanDerWaalsContact C-N 3.28Å; P512-Q514 PolarHBondContact O-N 3.38Å; P512-Q514 VanDerWaalsContact O-N 3.17Å; Q514-Q517 PolarHBondContact O-N 2.93Å; Q514-Q518 WeakPolarHBondContact O-CG 3.35Å; Q514-Q518 PolarHBondContact O-N 3.42Å
515	E	93.8	Very high	93.2	Very high	93 Å²	93	47.9 Å²	47.9	44%	0.435	23%	0.231	S	C	.	.	H	α-helix	trans	-72.1	-38.9	177.7	-68.2	174.9	-142.8	0	0	111.3	L511 P512 Q513 Q517 Q518 L519	L511-E515 HydrophobicContact CB-CB 4.18Å; L511-E515 HydrophobicContact CD2-CB 4.24Å; P512-E515 PolarHBondContact O-N 3.42Å; P512-E515 VanDerWaalsContact O-N 3.07Å; Q513-E515 VanDerWaalsContact C-N 3.35Å; Q513-E515 PolarHBondContact O-N 3.29Å; E515-Q517 VanDerWaalsContact C-N 3.32Å; E515-Q517 PolarHBondContact O-N 3.5Å; E515-Q518 PolarHBondContact O-N 2.88Å; E515-L519 PolarHBondContact O-N 3.43Å
516	L	92.9	Very high	93.5	Very high	13 Å²	13	47.6 Å²	47.6	7%	0.068	23%	0.229	C	C	.	.	H	α-helix	trans	-59.1	-44.5	171.9	177.9	62	0	0	0	111.1	T490 L511 P512 Q513 Q518 L519 L520	T490-L516 HydrophobicContact CG2-CD1 4.27Å; L511-L516 HydrophobicContact CB-CB 4.23Å; P512-L516 PolarHBondContact O-N 3.04Å; Q513-L516 PolarHBondContact O-N 3.46Å; L516-Q518 PolarHBondContact O-N 3.25Å; L516-L519 WeakPolarHBondContact O-CB 3.33Å; L516-L519 PolarHBondContact O-N 3.37Å; L516-L520 HydrophobicContact CD1-CD1 4.43Å; L516-L520 HydrophobicContact CD1-CG 4.39Å; L516-L520 HydrophobicContact CG-CD1 4.18Å; L516-L520 WeakPolarHBondContact O-CG 3.4Å; L516-L520 PolarHBondContact O-N 2.76Å
517	Q	92.4	Very high	93.7	Very high	4 Å²	4	43 Å²	43	2%	0.019	21%	0.209	C	C	.	.	H	α-helix	trans	-61.8	-43.7	176.4	-70.5	-78.9	-41.9	0	0	111.2	Q513 Q514 E515 L519 L520 R521 N544	Q513-Q517 HydrophobicContact CG-CG 4.39Å; Q513-Q517 WeakPolarHBondContact O-CB 3.05Å; Q513-Q517 WeakPolarHBondContact O-CG 3.45Å; Q513-Q517 PolarHBondContact O-N 2.85Å; Q514-Q517 PolarHBondContact O-N 2.93Å; E515-Q517 VanDerWaalsContact C-N 3.32Å; E515-Q517 PolarHBondContact O-N 3.5Å; Q517-L519 VanDerWaalsContact C-N 3.3Å; Q517-L519 PolarHBondContact O-N 3.33Å; Q517-L520 PolarHBondContact O-N 2.81Å; Q517-R521 WeakPolarHBondContact O-CB 3.31Å; Q517-R521 WeakPolarHBondContact O-CG 3.34Å; Q517-R521 PolarHBondContact O-N 2.87Å; Q517-N544 PolarHBondContact OE1-ND2 3.36Å; Q517-N544 PolarHBondContact OE1-OD1 3.21Å
518	Q	94.1	Very high	93.8	Very high	98 Å²	98	41.2 Å²	41.2	46%	0.458	20%	0.199	S	C	.	.	H	α-helix	trans	-60.6	-38.4	174.4	-71.8	172.3	4.1	0	0	112.8	Q514 E515 L516 K522	Q514-Q518 WeakPolarHBondContact O-CG 3.35Å; Q514-Q518 PolarHBondContact O-N 3.42Å; E515-Q518 PolarHBondContact O-N 2.88Å; L516-Q518 PolarHBondContact O-N 3.25Å; Q518-K522 PolarHBondContact O-N 3.28Å
519	L	96.6	Very high	93.8	Very high	14 Å²	14	38.6 Å²	38.6	7%	0.073	19%	0.187	C	C	.	.	H	α-helix	trans	-63.5	-48.2	174.7	-174.7	71.6	0	0	0	111	M458 V460 T490 H508 L511 E515 L516 Q517 R521 K522 A523	M458-L519 HydrophobicContact CE-CD1 3.35Å; M458-L519 HydrophobicContact CE-CG 4.26Å; V460-L519 HydrophobicContact CG1-CD2 4.04Å; V460-L519 HydrophobicContact CG2-CD1 4.45Å; V460-L519 HydrophobicContact CG2-CD2 3.91Å; V460-L519 HydrophobicContact CG2-CG 3.83Å; T490-L519 HydrophobicContact CG2-CD2 4.03Å; H508-L519 WeakPolarHBondContact NE2-CD1 3.33Å; L511-L519 HydrophobicContact CD1-CB 4.43Å; L511-L519 HydrophobicContact CD1-CD2 3.97Å; E515-L519 PolarHBondContact O-N 3.43Å; L516-L519 WeakPolarHBondContact O-CB 3.33Å; L516-L519 PolarHBondContact O-N 3.37Å; Q517-L519 VanDerWaalsContact C-N 3.3Å; Q517-L519 PolarHBondContact O-N 3.33Å; L519-R521 PolarHBondContact O-N 2.73Å; L519-K522 PolarHBondContact O-N 3.04Å; L519-A523 PolarHBondContact O-N 2.81Å
520	L	96.3	Very high	93.9	Very high	3 Å²	3	38.6 Å²	38.6	2%	0.016	19%	0.187	C	C	.	.	H	α-helix	trans	-63.4	-39	178.3	-67.3	172.8	0	0	0	112	K454 V460 L516 Q517 K522 A523 F526 A541 N544 C546	K454-L520 PolarHBondContact NZ-O 3.15Å; V460-L520 HydrophobicContact CG1-CD2 4.43Å; L516-L520 HydrophobicContact CD1-CD1 4.43Å; L516-L520 HydrophobicContact CD1-CG 4.39Å; L516-L520 HydrophobicContact CG-CD1 4.18Å; L516-L520 WeakPolarHBondContact O-CG 3.4Å; L516-L520 PolarHBondContact O-N 2.76Å; Q517-L520 PolarHBondContact O-N 2.81Å; L520-K522 PolarHBondContact O-N 2.96Å; L520-A523 PolarHBondContact O-N 2.97Å; L520-F526 HydrophobicContact CD2-CD2 3.78Å; L520-F526 HydrophobicContact CD2-CE2 4.06Å; L520-F526 HydrophobicContact CD2-CG 4.5Å; L520-A541 HydrophobicContact CD1-CB 4.47Å; L520-A541 HydrophobicContact CD2-CB 3.95Å; L520-N544 HydrophobicContact CB-CB 3.97Å; L520-C546 PolarHBondContact O-SG 3.3Å
521	R	94.9	Very high	94	Very high	61 Å²	61	39.6 Å²	39.6	23%	0.23	19%	0.189	C	C	.	.	H	α-helix	trans	-59	-29	175.7	-72.8	173.3	-169.9	-175.3	3.3	112.9	E440 I450 K454 Q517 L519 N544	E440-R521 IonicContact OE1-NH2 3.38Å; E440-R521 PolarHBondContact OE1-NH2 3.31Å; I450-R521 HydrophobicContact CD1-CG 3.7Å; I450-R521 HydrophobicContact CG1-CB 4.12Å; I450-R521 HydrophobicContact CG1-CG 3.84Å; K454-R521 VanDerWaalsContact CD-O 3.3Å; K454-R521 WeakPolarHBondContact CD-O 3.33Å; K454-R521 WeakPolarHBondContact CE-O 3.29Å; K454-R521 PolarHBondContact NZ-O 2.87Å; Q517-R521 WeakPolarHBondContact O-CB 3.31Å; Q517-R521 WeakPolarHBondContact O-CG 3.34Å; Q517-R521 PolarHBondContact O-N 2.87Å; L519-R521 PolarHBondContact O-N 2.73Å; R521-N544 HydrophobicContact CG-CB 4.24Å; R521-N544 WeakPolarHBondContact CG-OD1 3.34Å; R521-N544 PolarHBondContact NE-OD1 3Å; R521-N544 VanDerWaalsContact NE-OD1 3.16Å
522	K	95.9	Very high	94.1	Very high	119 Å²	119	39.1 Å²	39.1	52%	0.517	19%	0.189	S	C	.	.	H	α-helix	trans	-85.9	-38.8	175.8	-67.2	178	-179.3	179.2	0	113	V455 M458 Q518 L519 L520	V455-K522 HydrophobicContact CG2-CB 4.37Å; V455-K522 PolarHBondContact N-O 2.88Å; M458-K522 HydrophobicContact SD-CB 3.88Å; Q518-K522 PolarHBondContact O-N 3.28Å; L519-K522 PolarHBondContact O-N 3.04Å; L520-K522 PolarHBondContact O-N 2.96Å
523	A	97.3	Very high	94.5	Very high	0 Å²	0	36.2 Å²	36.2	0%	0	17%	0.168	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-67.7	140.5	-172.7	0	0	0	0	0	113.2	K454 M458 V460 L519 L520 C546	K454-A523 WeakPolarHBondContact CD-O 3.39Å; K454-A523 WeakPolarHBondContact CE-O 3.38Å; K454-A523 PolarHBondContact NZ-O 3.13Å; M458-A523 HydrophobicContact CG-CB 4.17Å; M458-A523 HydrophobicContact SD-CB 4.22Å; V460-A523 HydrophobicContact CB-CB 4.37Å; V460-A523 HydrophobicContact CG2-CB 3.51Å; L519-A523 PolarHBondContact O-N 2.81Å; L520-A523 PolarHBondContact O-N 2.97Å; A523-C546 PolarHBondContact O-SG 2.85Å; A523-C546 VanDerWaalsContact O-SG 3.37Å
524	K	97.3	Very high	94.8	Very high	10 Å²	10	34.6 Å²	34.6	4%	0.043	16%	0.16	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.1	-41.9	171.9	-177.8	163.2	-164.1	154.9	0	111.7	V455 N456 M458 M485 C546 I547 I608 M609 I611	V455-K524 WeakPolarHBondContact O-CB 3.32Å; N456-K524 HydrophobicContact CB-CD 4.38Å; N456-K524 WeakPolarHBondContact O-CD 3.2Å; N456-K524 PolarHBondContact OD1-NZ 2.76Å; M458-K524 PolarHBondContact O-N 2.92Å; M485-K524 HydrophobicContact CE-CD 4.47Å; K524-C546 WeakPolarHBondContact O-CA 3.25Å; K524-I547 PolarHBondContact O-N 3.41Å; K524-I608 WeakPolarHBondContact CE-O 3.25Å; K524-I608 PolarHBondContact NZ-O 3.21Å; K524-M609 PolarHBondContact NZ-O 3.22Å; K524-I611 WeakPolarHBondContact CE-O 3.42Å; K524-I611 PolarHBondContact NZ-O 2.98Å
525	L	98.4	Very high	95.1	Very high	0 Å²	0	28.2 Å²	28.2	0%	0	13%	0.133	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.9	133.7	-172.5	-174.5	64.6	0	0	0	110.7	M458 A459 V460 L481 M485 I547 L549 I605 I608	M458-L525 PolarHBondContact O-N 3.23Å; M458-L525 VanDerWaalsContact O-N 3.14Å; A459-L525 CarbonylContact C-O 3.49Å; A459-L525 VanDerWaalsContact CA-O 3.3Å; A459-L525 WeakPolarHBondContact CA-O 3.32Å; A459-L525 HydrophobicContact CB-CB 4.01Å; A459-L525 HydrophobicContact CB-CD2 4.14Å; A459-L525 HydrophobicContact CB-CG 4.4Å; V460-L525 PolarHBondContact N-O 3.31Å; L481-L525 HydrophobicContact CD1-CD2 3.69Å; M485-L525 HydrophobicContact CE-CB 4.22Å; M485-L525 HydrophobicContact CE-CD2 4.39Å; M485-L525 HydrophobicContact SD-CB 3.79Å; M485-L525 HydrophobicContact SD-CD2 3.84Å; M485-L525 HydrophobicContact SD-CG 4.49Å; L525-I547 HydrophobicContact CD1-CB 4.31Å; L525-I547 HydrophobicContact CD1-CG2 4.3Å; L525-I547 WeakPolarHBondContact CD1-O 3.28Å; L525-L549 HydrophobicContact CD1-CB 3.63Å; L525-L549 HydrophobicContact CD1-CD2 4.46Å; L525-L549 HydrophobicContact CD2-CD2 4.29Å; L525-L549 HydrophobicContact CG-CB 4.5Å; L525-I605 HydrophobicContact CD2-CD1 4.09Å; L525-I608 HydrophobicContact CD1-CD1 3.9Å; L525-I608 HydrophobicContact CD1-CG2 4.36Å
526	F	98.5	Very high	95.2	Very high	9 Å²	9	24.7 Å²	24.7	4%	0.039	12%	0.118	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.4	120.3	162.7	-168.8	-118.3	0	0	0	107.6	V460 Y462 L520 A537 P538 A541 C546 I547 F548 L549	V460-F526 HydrophobicContact CB-CD2 4.02Å; V460-F526 HydrophobicContact CG1-CD2 3.98Å; V460-F526 HydrophobicContact CG1-CE2 3.97Å; V460-F526 CarbonylContact O-C 2.93Å; V460-F526 VanDerWaalsContact O-CA 3.3Å; V460-F526 WeakPolarHBondContact O-CA 3.49Å; V460-F526 VanDerWaalsContact O-CD2 3.31Å; V460-F526 WeakPolarHBondContact O-CD2 3.42Å; Y462-F526 VanDerWaalsContact CB-CZ 3.44Å; Y462-F526 HydrophobicContact CD1-CE1 4.22Å; Y462-F526 HydrophobicContact CD2-CE1 4.26Å; Y462-F526 AromaticContact CD2-CZ 3.83Å; Y462-F526 HydrophobicContact CD2-CZ 3.83Å; Y462-F526 AromaticContact CG-CE1 3.8Å; Y462-F526 HydrophobicContact CG-CE1 3.8Å; Y462-F526 AromaticContact CG-CZ 3.71Å; Y462-F526 HydrophobicContact CG-CZ 3.71Å; L520-F526 HydrophobicContact CD2-CD2 3.78Å; L520-F526 HydrophobicContact CD2-CE2 4.06Å; L520-F526 HydrophobicContact CD2-CG 4.5Å; F526-A537 HydrophobicContact CE1-CB 4.26Å; F526-A537 HydrophobicContact CZ-CB 4.08Å; F526-P538 HydrophobicContact CE1-CG 4.2Å; F526-A541 HydrophobicContact CB-CB 3.62Å; F526-A541 HydrophobicContact CD1-CB 3.45Å; F526-A541 VanDerWaalsContact CD1-CB 3.45Å; F526-A541 HydrophobicContact CD2-CB 4.08Å; F526-A541 HydrophobicContact CE1-CB 4.08Å; F526-A541 HydrophobicContact CG-CB 3.45Å; F526-A541 VanDerWaalsContact CG-CB 3.45Å; F526-C546 HydrophobicContact CB-CB 3.95Å; F526-I547 PolarHBondContact N-O 2.86Å; F526-F548 HydrophobicContact CB-CD2 4.43Å; F526-F548 AromaticContact CD1-CD2 3.63Å; F526-F548 HydrophobicContact CD1-CD2 3.63Å; F526-F548 AromaticContact CD1-CE2 3.97Å; F526-F548 HydrophobicContact CD1-CE2 3.97Å; F526-F548 HydrophobicContact CE1-CD2 4.43Å; F526-F548 HydrophobicContact CE1-CE2 4.36Å; F526-F548 HydrophobicContact CG-CD2 4.44Å; F526-F548 CarbonylContact O-C 3.31Å; F526-F548 VanDerWaalsContact O-CA 3.32Å; F526-F548 WeakPolarHBondContact O-CA 3.44Å; F526-F548 WeakPolarHBondContact O-CD2 3.41Å; F526-L549 PolarHBondContact O-N 3.28Å
527	I	98	Very high	95.3	Very high	0 Å²	0	24.9 Å²	24.9	0%	0	12%	0.121	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114	124	-172.8	-175.5	172.9	0	0	0	111.4	V460 V461 Y462 F477 L481 F529 L549 F595 F601	V460-I527 PolarHBondContact O-N 3.43Å; V461-I527 HydrophobicContact CB-CG2 4.22Å; V461-I527 HydrophobicContact CG2-CG2 3.66Å; Y462-I527 WeakPolarHBondContact CB-O 3.35Å; Y462-I527 PolarHBondContact N-O 2.87Å; F477-I527 HydrophobicContact CD2-CD1 4.26Å; F477-I527 HydrophobicContact CE2-CD1 4.17Å; L481-I527 HydrophobicContact CD2-CD1 3.9Å; L481-I527 HydrophobicContact CD2-CG2 4.25Å; I527-F529 HydrophobicContact CG2-CE1 4.49Å; I527-L549 WeakPolarHBondContact CA-O 3.34Å; I527-L549 HydrophobicContact CD1-CD2 4.08Å; I527-L549 HydrophobicContact CG1-CB 4.47Å; I527-L549 HydrophobicContact CG1-CD2 4.34Å; I527-L549 HydrophobicContact CG1-CG 4.49Å; I527-F595 HydrophobicContact CD1-CE2 4.07Å; I527-F595 HydrophobicContact CD1-CZ 4.21Å; I527-F595 HydrophobicContact CG1-CE2 4.09Å; I527-F595 HydrophobicContact CG1-CZ 4.05Å; I527-F601 HydrophobicContact CD1-CE2 4.29Å; I527-F601 HydrophobicContact CD1-CZ 3.92Å
528	G	96.4	Very high	95.5	Very high	0 Å²	0	24.7 Å²	24.7	0%	0	12%	0.121	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.1	139	174.8	0	0	0	0	0	112.8	L549 P551 F595	G528-L549 PolarHBondContact N-O 3.1Å; G528-P551 WeakPolarHBondContact O-CD 3.35Å; G528-F595 WeakPolarHBondContact O-CE2 3.3Å; G528-F595 WeakPolarHBondContact O-CZ 3.26Å
529	F	93.1	Very high	95.6	Very high	24 Å²	24	20 Å²	20	11%	0.105	10%	0.099	C	C	.	.			trans	-95.9	7	177.2	-72.9	-8.5	0	0	0	114.4	V461 W469 K474 F477 L478 I527	V461-F529 HydrophobicContact CB-CZ 4.18Å; V461-F529 HydrophobicContact CG1-CD1 4.18Å; V461-F529 HydrophobicContact CG1-CD2 3.9Å; V461-F529 HydrophobicContact CG1-CE1 3.64Å; V461-F529 HydrophobicContact CG1-CE2 3.35Å; V461-F529 HydrophobicContact CG1-CG 4.29Å; V461-F529 HydrophobicContact CG1-CZ 3.2Å; V461-F529 HydrophobicContact CG2-CE1 4.17Å; V461-F529 HydrophobicContact CG2-CZ 3.87Å; W469-F529 AromaticContact CD2-CE2 3.78Å; W469-F529 HydrophobicContact CD2-CE2 3.78Å; W469-F529 HydrophobicContact CD2-CZ 4.5Å; W469-F529 AromaticContact CE3-CE2 3.81Å; W469-F529 HydrophobicContact CE3-CE2 3.81Å; W469-F529 HydrophobicContact CE3-CZ 4.13Å; W469-F529 HydrophobicContact CG-CE2 4.23Å; W469-F529 HydrophobicContact CZ3-CE2 4.23Å; W469-F529 HydrophobicContact CZ3-CZ 4.14Å; K474-F529 HydrophobicContact CD-CD2 3.9Å; K474-F529 HydrophobicContact CD-CE2 4.17Å; K474-F529 HydrophobicContact CD-CG 4.11Å; F477-F529 AromaticContact CE2-CD1 3.98Å; F477-F529 HydrophobicContact CE2-CD1 3.98Å; F477-F529 AromaticContact CE2-CE1 3.65Å; F477-F529 HydrophobicContact CE2-CE1 3.65Å; F477-F529 AromaticContact CZ-CD1 3.83Å; F477-F529 HydrophobicContact CZ-CD1 3.83Å; F477-F529 AromaticContact CZ-CE1 3.86Å; F477-F529 HydrophobicContact CZ-CE1 3.86Å; L478-F529 HydrophobicContact CD1-CZ 4.34Å; L478-F529 HydrophobicContact CD2-CE1 3.94Å; L478-F529 HydrophobicContact CD2-CZ 3.8Å; I527-F529 HydrophobicContact CG2-CE1 4.49Å
530	G	92.3	Very high	95.6	Very high	7 Å²	7	20 Å²	20	7%	0.072	10%	0.098	C	C	.	.	S	Bend	trans	94.6	-11.8	-176.1	0	0	0	0	0	114.4	Y533 P551 Q577	G530-Y533 VanDerWaalsContact O-CE1 3.29Å; G530-Y533 WeakPolarHBondContact O-CE1 3.46Å; G530-P551 VanDerWaalsContact CA-CG 3.41Å; G530-Q577 VanDerWaalsContact N-CD 3.32Å
531	F	92.2	Very high	95.6	Very high	80 Å²	80	19.9 Å²	19.9	35%	0.351	10%	0.098	S	C	.	.			trans	-145.9	143.5	171.2	-171.8	-95.2	0	0	0	109.8	M468 Y533 F564 Q577	M468-F531 HydrophobicContact CE-CD1 3.82Å; M468-F531 HydrophobicContact CE-CE1 3.76Å; M468-F531 HydrophobicContact CG-CD1 4.24Å; M468-F531 HydrophobicContact SD-CD1 4.47Å; F531-Y533 AromaticContact CD2-CD2 3.63Å; F531-Y533 HydrophobicContact CD2-CD2 3.63Å; F531-Y533 AromaticContact CD2-CE2 3.56Å; F531-Y533 HydrophobicContact CD2-CE2 3.56Å; F531-Y533 AromaticContact CE2-CD2 3.86Å; F531-Y533 HydrophobicContact CE2-CD2 3.86Å; F531-Y533 HydrophobicContact CE2-CE2 4.03Å; F531-F564 AromaticContact CE2-CD2 3.71Å; F531-F564 HydrophobicContact CE2-CD2 3.71Å; F531-F564 AromaticContact CE2-CE2 3.82Å; F531-F564 HydrophobicContact CE2-CE2 3.82Å; F531-F564 HydrophobicContact CE2-CG 4.16Å; F531-F564 HydrophobicContact CE2-CZ 4.37Å; F531-F564 HydrophobicContact CZ-CD2 4.23Å; F531-F564 HydrophobicContact CZ-CE2 4.15Å; F531-Q577 VanDerWaalsContact C-NE2 3.3Å; F531-Q577 PolarHBondContact O-NE2 2.88Å
532	P	92.9	Very high	95.8	Very high	31 Å²	31	17 Å²	17	20%	0.201	9%	0.087	C	C	.	.	S	Bend	cis	-73.2	157	0.3	33.5	-38.1	0	0	0	113.5	Y462 Q577	Y462-P532 HydrophobicContact CE1-CG 3.89Å; Y462-P532 HydrophobicContact CE2-CG 3.87Å; Y462-P532 VanDerWaalsContact OH-CG 3.25Å; Y462-P532 WeakPolarHBondContact OH-CG 3.33Å; P532-Q577 WeakPolarHBondContact O-CG 3Å; P532-Q577 PolarHBondContact O-NE2 3.37Å
533	Y	94.9	Very high	95.8	Very high	12 Å²	12	11.5 Å²	11.5	5%	0.047	6%	0.064	C	C	.	.			trans	-80.2	139.7	176.3	-60.8	-73.4	0	0	0	110.9	G530 F531 G535 F553 H557 H562 F564 F565 V574 Q577	G530-Y533 VanDerWaalsContact O-CE1 3.29Å; G530-Y533 WeakPolarHBondContact O-CE1 3.46Å; F531-Y533 AromaticContact CD2-CD2 3.63Å; F531-Y533 HydrophobicContact CD2-CD2 3.63Å; F531-Y533 AromaticContact CD2-CE2 3.56Å; F531-Y533 HydrophobicContact CD2-CE2 3.56Å; F531-Y533 AromaticContact CE2-CD2 3.86Å; F531-Y533 HydrophobicContact CE2-CD2 3.86Å; F531-Y533 HydrophobicContact CE2-CE2 4.03Å; Y533-G535 VanDerWaalsContact C-N 3.26Å; Y533-G535 PolarHBondContact O-N 2.83Å; Y533-G535 VanDerWaalsContact O-N 3.08Å; Y533-F553 HydrophobicContact CD1-CE2 4.05Å; Y533-F553 HydrophobicContact CD1-CZ 4.46Å; Y533-F553 HydrophobicContact CE1-CD2 4.46Å; Y533-F553 AromaticContact CE1-CE2 3.5Å; Y533-F553 HydrophobicContact CE1-CE2 3.5Å; Y533-F553 AromaticContact CE1-CZ 3.76Å; Y533-F553 HydrophobicContact CE1-CZ 3.76Å; Y533-H557 AromaticContact CE1-ND1 3.81Å; Y533-H557 AromaticContact CZ-ND1 3.73Å; Y533-H557 PolarHBondContact OH-CE1 3.26Å; Y533-H557 PolarHBondContact OH-ND1 3.29Å; Y533-H562 AromaticContact CE2-CE1 3.93Å; Y533-H562 AromaticContact CZ-NE2 3.95Å; Y533-H562 PolarHBondContact OH-CD2 3.38Å; Y533-H562 PolarHBondContact OH-CE1 3.35Å; Y533-H562 VanDerWaalsContact OH-CE1 3.26Å; Y533-H562 PolarHBondContact OH-NE2 2.99Å; Y533-F564 AromaticContact CD2-CD1 3.4Å; Y533-F564 HydrophobicContact CD2-CD1 3.4Å; Y533-F564 VanDerWaalsContact CD2-CD1 3.4Å; Y533-F564 AromaticContact CD2-CE1 3.61Å; Y533-F564 HydrophobicContact CD2-CE1 3.61Å; Y533-F564 HydrophobicContact CD2-CG 4.01Å; Y533-F564 HydrophobicContact CD2-CZ 4.36Å; Y533-F564 HydrophobicContact CE2-CB 4.09Å; Y533-F564 AromaticContact CE2-CD1 3.7Å; Y533-F564 HydrophobicContact CE2-CD1 3.7Å; Y533-F564 HydrophobicContact CE2-CE1 4.37Å; Y533-F564 AromaticContact CE2-CG 3.98Å; Y533-F564 HydrophobicContact CE2-CG 3.98Å; Y533-F564 HydrophobicContact CG-CD1 4.49Å; Y533-F564 HydrophobicContact CG-CE1 4.45Å; Y533-F565 HydrophobicContact CD1-CE2 4.21Å; Y533-F565 AromaticContact CD1-CZ 3.93Å; Y533-F565 HydrophobicContact CD1-CZ 3.93Å; Y533-F565 AromaticContact CD2-CE2 3.9Å; Y533-F565 HydrophobicContact CD2-CE2 3.9Å; Y533-F565 AromaticContact CD2-CZ 3.67Å; Y533-F565 HydrophobicContact CD2-CZ 3.67Å; Y533-F565 HydrophobicContact CE1-CE2 4.03Å; Y533-F565 HydrophobicContact CE1-CZ 4.24Å; Y533-F565 AromaticContact CE2-CE2 3.7Å; Y533-F565 HydrophobicContact CE2-CE2 3.7Å; Y533-F565 AromaticContact CE2-CZ 3.98Å; Y533-F565 HydrophobicContact CE2-CZ 3.98Å; Y533-F565 HydrophobicContact CG-CE2 4.15Å; Y533-F565 AromaticContact CG-CZ 3.64Å; Y533-F565 HydrophobicContact CG-CZ 3.64Å; Y533-F565 AromaticContact CZ-CE2 3.79Å; Y533-V574 HydrophobicContact CD1-CG1 4.19Å; Y533-Q577 WeakPolarHBondContact CA-O 3.47Å
534	E	95.3	Very high	95.8	Very high	5 Å²	5	11.6 Å²	11.6	2%	0.023	6%	0.064	C	C	.	.	S	Bend	trans	45.6	49.1	165.8	-65.3	170.9	137.8	0	0	113	F426 H428 R572 Q577	F426-E534 HydrophobicContact CD2-CB 4.01Å; F426-E534 HydrophobicContact CE2-CB 4.18Å; F426-E534 WeakPolarHBondContact CE2-O 3.31Å; H428-E534 IonicContact CD2-OE1 3.49Å; H428-E534 PolarHBondContact CD2-OE1 3.43Å; H428-E534 IonicContact CD2-OE2 3.89Å; E534-R572 IonicContact OE1-CZ 2.67Å; E534-R572 IonicContact OE1-NH1 3.45Å; E534-R572 PolarHBondContact OE1-NH1 2.94Å; E534-R572 IonicContact OE1-NH2 2.72Å; E534-R572 PolarHBondContact OE1-NH2 3.43Å; E534-R572 IonicContact OE2-CZ 2.84Å; E534-R572 IonicContact OE2-NH1 3.58Å; E534-R572 IonicContact OE2-NH2 3.85Å; E534-R572 PolarHBondContact OE2-NH2 3.4Å; E534-Q577 PolarHBondContact N-O 2.96Å
535	G	94	Very high	95.7	Very high	9 Å²	9	11.2 Å²	11.2	9%	0.093	6%	0.064	C	C	.	.			trans	-95.1	167.9	175.1	0	0	0	0	0	112.3	Y462 Y533 A537 P538 H578	Y462-G535 WeakPolarHBondContact OH-CA 3.45Å; Y533-G535 VanDerWaalsContact C-N 3.26Å; Y533-G535 PolarHBondContact O-N 2.83Å; Y533-G535 VanDerWaalsContact O-N 3.08Å; G535-A537 PolarHBondContact O-N 2.97Å; G535-P538 VanDerWaalsContact O-CD 3.31Å; G535-P538 WeakPolarHBondContact O-CD 3.45Å; G535-H578 PolarHBondContact O-CD2 3.13Å; G535-H578 PolarHBondContact O-NE2 3.06Å
536	P	94.9	Very high	95.6	Very high	20 Å²	20	11.2 Å²	11.2	13%	0.13	6%	0.064	C	C	.	.	S	Bend	trans	-74.8	-21.4	-177	29.1	-36.5	0	0	0	114.5	F437 L539 E540	F437-P536 HydrophobicContact CD2-CB 4.13Å; F437-P536 HydrophobicContact CE1-CB 4.2Å; F437-P536 HydrophobicContact CE2-CB 3.42Å; F437-P536 VanDerWaalsContact CE2-CB 3.42Å; F437-P536 HydrophobicContact CZ-CB 3.46Å; F437-P536 VanDerWaalsContact CZ-CB 3.46Å; P536-L539 PolarHBondContact O-N 2.81Å; P536-L539 VanDerWaalsContact O-N 3.14Å; P536-E540 PolarHBondContact O-N 3.01Å; P536-E540 VanDerWaalsContact O-N 3.17Å
537	A	95	Very high	95.6	Very high	16 Å²	16	10.8 Å²	10.8	13%	0.132	6%	0.062	C	C	.	.	H	α-helix	trans	-62.5	-38	-169.8	0	0	0	0	0	114.7	Y462 F526 G535 L539 E540 A541	Y462-A537 HydrophobicContact CD2-CB 4Å; Y462-A537 HydrophobicContact CE2-CB 3.52Å; F526-A537 HydrophobicContact CE1-CB 4.26Å; F526-A537 HydrophobicContact CZ-CB 4.08Å; G535-A537 PolarHBondContact O-N 2.97Å; A537-L539 VanDerWaalsContact C-N 3.33Å; A537-L539 PolarHBondContact O-N 2.88Å; A537-E540 PolarHBondContact O-N 3.4Å; A537-A541 PolarHBondContact O-N 2.88Å
538	P	97.3	Very high	95.7	Very high	0 Å²	0	10.8 Å²	10.8	0%	0	6%	0.062	C	C	.	.	H	α-helix	trans	-58	-41	172.6	-29.9	40.4	0	0	0	113.5	Y462 F526 G535 A541 I542 F548	Y462-P538 HydrophobicContact CD1-CG 4.01Å; Y462-P538 HydrophobicContact CE1-CG 3.77Å; F526-P538 HydrophobicContact CE1-CG 4.2Å; G535-P538 VanDerWaalsContact O-CD 3.31Å; G535-P538 WeakPolarHBondContact O-CD 3.45Å; P538-A541 PolarHBondContact O-N 3.48Å; P538-I542 WeakPolarHBondContact O-CD1 3.27Å; P538-I542 VanDerWaalsContact O-CG1 3.23Å; P538-I542 WeakPolarHBondContact O-CG1 3.29Å; P538-I542 PolarHBondContact O-N 3.2Å; P538-F548 HydrophobicContact CB-CD1 3.76Å; P538-F548 HydrophobicContact CB-CD2 4.09Å; P538-F548 HydrophobicContact CB-CE1 3.65Å; P538-F548 HydrophobicContact CB-CE2 4.01Å; P538-F548 HydrophobicContact CB-CG 3.98Å; P538-F548 HydrophobicContact CB-CZ 3.78Å; P538-F548 HydrophobicContact CG-CD1 4.45Å; P538-F548 HydrophobicContact CG-CD2 4.4Å; P538-F548 HydrophobicContact CG-CE1 3.87Å; P538-F548 HydrophobicContact CG-CE2 3.83Å; P538-F548 HydrophobicContact CG-CZ 3.54Å
539	L	97.1	Very high	95.8	Very high	1 Å²	1	10.8 Å²	10.8	1%	0.005	6%	0.062	C	C	.	.	H	α-helix	trans	-66.3	-39	175.5	-66.6	-164.8	0	0	0	112	F426 F437 P536 A537 A541 I542 A543 Y580 I585 Y621	F426-L539 HydrophobicContact CE1-CD1 3.83Å; F426-L539 HydrophobicContact CE1-CG 4.34Å; F426-L539 HydrophobicContact CZ-CD1 4.48Å; F437-L539 HydrophobicContact CZ-CD1 3.9Å; P536-L539 PolarHBondContact O-N 2.81Å; P536-L539 VanDerWaalsContact O-N 3.14Å; A537-L539 VanDerWaalsContact C-N 3.33Å; A537-L539 PolarHBondContact O-N 2.88Å; L539-A541 VanDerWaalsContact C-N 3.3Å; L539-A541 PolarHBondContact O-N 3.35Å; L539-I542 HydrophobicContact CD2-CD1 4.36Å; L539-I542 PolarHBondContact O-N 3.47Å; L539-A543 WeakPolarHBondContact O-CB 3.41Å; L539-A543 PolarHBondContact O-N 3.33Å; L539-Y580 HydrophobicContact CD1-CE1 4.25Å; L539-Y580 HydrophobicContact CD2-CD1 4.27Å; L539-Y580 HydrophobicContact CD2-CE1 4.07Å; L539-I585 HydrophobicContact CD2-CD1 3.45Å; L539-I585 VanDerWaalsContact CD2-CD1 3.45Å; L539-Y621 HydrophobicContact CD1-CD1 3.61Å; L539-Y621 HydrophobicContact CD1-CD2 3.7Å; L539-Y621 HydrophobicContact CD1-CE1 3.68Å; L539-Y621 HydrophobicContact CD1-CE2 3.79Å; L539-Y621 HydrophobicContact CD1-CG 3.63Å
540	E	95.4	Very high	96	Very high	13 Å²	13	9.7 Å²	9.7	6%	0.061	6%	0.057	C	C	.	.	H	α-helix	trans	-61.9	-37.7	173.3	-66.7	-171.5	177.1	0	0	112.1	Q513 P536 A537 N544	Q513-E540 PolarHBondContact NE2-OE1 3.07Å; Q513-E540 PolarHBondContact NE2-OE2 3.45Å; P536-E540 PolarHBondContact O-N 3.01Å; P536-E540 VanDerWaalsContact O-N 3.17Å; A537-E540 PolarHBondContact O-N 3.4Å; E540-N544 PolarHBondContact O-N 3.11Å; E540-N544 PolarHBondContact O-ND2 2.74Å
541	A	97.4	Very high	96.2	Very high	0 Å²	0	9.8 Å²	9.8	0%	0	6%	0.056	C	C	.	.	H	α-helix	trans	-68.7	-45	177.6	0	0	0	0	0	112.1	L520 F526 A537 P538 L539 A543 N544 G545 C546	L520-A541 HydrophobicContact CD1-CB 4.47Å; L520-A541 HydrophobicContact CD2-CB 3.95Å; F526-A541 HydrophobicContact CB-CB 3.62Å; F526-A541 HydrophobicContact CD1-CB 3.45Å; F526-A541 VanDerWaalsContact CD1-CB 3.45Å; F526-A541 HydrophobicContact CD2-CB 4.08Å; F526-A541 HydrophobicContact CE1-CB 4.08Å; F526-A541 HydrophobicContact CG-CB 3.45Å; F526-A541 VanDerWaalsContact CG-CB 3.45Å; A537-A541 PolarHBondContact O-N 2.88Å; P538-A541 PolarHBondContact O-N 3.48Å; L539-A541 VanDerWaalsContact C-N 3.3Å; L539-A541 PolarHBondContact O-N 3.35Å; A541-A543 VanDerWaalsContact C-N 3.32Å; A541-A543 PolarHBondContact O-N 3.12Å; A541-N544 CarbonylContact O-C 3.58Å; A541-N544 PolarHBondContact O-N 3.44Å; A541-N544 VanDerWaalsContact O-N 3.07Å; A541-G545 PolarHBondContact O-N 3.43Å; A541-C546 HydrophobicContact CB-CB 4.01Å; A541-C546 WeakPolarHBondContact O-CB 3.36Å; A541-C546 PolarHBondContact O-N 3.09Å
542	I	97.8	Very high	96.5	Very high	1 Å²	1	11.4 Å²	11.4	1%	0.005	6%	0.063	C	C	.	.	H	α-helix	trans	-64.1	-40.5	176.8	-62.6	160.8	0	0	0	110.4	P538 L539 N544 G545 F548 I585 H589 V590 F616	P538-I542 WeakPolarHBondContact O-CD1 3.27Å; P538-I542 VanDerWaalsContact O-CG1 3.23Å; P538-I542 WeakPolarHBondContact O-CG1 3.29Å; P538-I542 PolarHBondContact O-N 3.2Å; L539-I542 HydrophobicContact CD2-CD1 4.36Å; L539-I542 PolarHBondContact O-N 3.47Å; I542-N544 PolarHBondContact O-N 3.1Å; I542-G545 PolarHBondContact O-N 3.06Å; I542-F548 HydrophobicContact CD1-CB 4.07Å; I542-F548 HydrophobicContact CG1-CB 4.01Å; I542-I585 HydrophobicContact CD1-CD1 3.92Å; I542-H589 HydrophobicContact CG2-CB 3.95Å; I542-V590 HydrophobicContact CD1-CG2 3.58Å; I542-V590 HydrophobicContact CG1-CG2 4.5Å; I542-F616 CarbonylContact C-O 3.52Å; I542-F616 VanDerWaalsContact C-O 3.31Å; I542-F616 HydrophobicContact CG2-CB 4.21Å; I542-F616 HydrophobicContact CG2-CD1 4.23Å; I542-F616 WeakPolarHBondContact CG2-O 3.43Å; I542-F616 PolarHBondContact O-N 2.76Å; I542-F616 VanDerWaalsContact O-N 3.1Å
543	A	96.5	Very high	96.6	Very high	4 Å²	4	11.1 Å²	11.1	3%	0.033	6%	0.059	C	C	.	.	H	α-helix	trans	-60.9	-24	174.1	0	0	0	0	0	112.9	L442 L539 A541 P615 F616 L617	L442-A543 WeakPolarHBondContact CD1-O 3.24Å; L539-A543 WeakPolarHBondContact O-CB 3.41Å; L539-A543 PolarHBondContact O-N 3.33Å; A541-A543 VanDerWaalsContact C-N 3.32Å; A541-A543 PolarHBondContact O-N 3.12Å; A543-P615 VanDerWaalsContact O-CB 3.3Å; A543-P615 WeakPolarHBondContact O-CB 3.44Å; A543-F616 WeakPolarHBondContact CA-O 3.36Å; A543-F616 PolarHBondContact N-O 2.86Å; A543-L617 HydrophobicContact CB-CB 4.27Å; A543-L617 HydrophobicContact CB-CD1 4.33Å
544	N	96.3	Very high	96.6	Very high	1 Å²	1	15.9 Å²	15.9	1%	0.005	9%	0.094	C	C	.	.	T	Hydrogen-bonded Turn	trans	-99	13.2	173.6	-75.3	-87.4	0	0	0	113.5	I450 K454 Q517 L520 R521 E540 A541 I542	I450-N544 WeakPolarHBondContact CG2-O 3.42Å; K454-N544 WeakPolarHBondContact CE-O 3.27Å; K454-N544 PolarHBondContact NZ-O 3.27Å; Q517-N544 PolarHBondContact OE1-ND2 3.36Å; Q517-N544 PolarHBondContact OE1-OD1 3.21Å; L520-N544 HydrophobicContact CB-CB 3.97Å; R521-N544 HydrophobicContact CG-CB 4.24Å; R521-N544 WeakPolarHBondContact CG-OD1 3.34Å; R521-N544 PolarHBondContact NE-OD1 3Å; R521-N544 VanDerWaalsContact NE-OD1 3.16Å; E540-N544 PolarHBondContact O-N 3.11Å; E540-N544 PolarHBondContact O-ND2 2.74Å; A541-N544 CarbonylContact O-C 3.58Å; A541-N544 PolarHBondContact O-N 3.44Å; A541-N544 VanDerWaalsContact O-N 3.07Å; I542-N544 PolarHBondContact O-N 3.1Å
545	G	95.5	Very high	96.6	Very high	3 Å²	3	20.3 Å²	20.3	3%	0.031	12%	0.123	C	C	.	.	T	Hydrogen-bonded Turn	trans	77.2	25.7	175	0	0	0	0	0	114.6	K454 A541 I542 V613	K454-G545 WeakPolarHBondContact CE-O 3.5Å; K454-G545 VanDerWaalsContact NZ-C 3.31Å; K454-G545 PolarHBondContact NZ-O 3.48Å; A541-G545 PolarHBondContact O-N 3.43Å; I542-G545 PolarHBondContact O-N 3.06Å; G545-V613 WeakPolarHBondContact O-CG2 3.06Å
546	C	97.6	Very high	96.8	Very high	0 Å²	0	21.2 Å²	21.2	0%	0	13%	0.13	C	C	.	.			trans	-82.9	146.4	165.4	-59.3	0	0	0	0	110.1	L520 A523 K524 F526 A541	L520-C546 PolarHBondContact O-SG 3.3Å; A523-C546 PolarHBondContact O-SG 2.85Å; A523-C546 VanDerWaalsContact O-SG 3.37Å; K524-C546 WeakPolarHBondContact O-CA 3.25Å; F526-C546 HydrophobicContact CB-CB 3.95Å; A541-C546 HydrophobicContact CB-CB 4.01Å; A541-C546 WeakPolarHBondContact O-CB 3.36Å; A541-C546 PolarHBondContact O-N 3.09Å
547	I	98.5	Very high	96.9	Very high	0 Å²	0	22.2 Å²	22.2	0%	0	13%	0.133	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-77.2	130.3	158.7	-63.9	164.6	0	0	0	107.1	K524 L525 F526 H589 I591 I608 I611 V613	K524-I547 PolarHBondContact O-N 3.41Å; L525-I547 HydrophobicContact CD1-CB 4.31Å; L525-I547 HydrophobicContact CD1-CG2 4.3Å; L525-I547 WeakPolarHBondContact CD1-O 3.28Å; F526-I547 PolarHBondContact N-O 2.86Å; I547-H589 CarbonylContact C-O 3.48Å; I547-H589 WeakPolarHBondContact CA-O 3.48Å; I547-I591 HydrophobicContact CG2-CD1 3.93Å; I547-I591 HydrophobicContact CG2-CG1 4.24Å; I547-I608 HydrophobicContact CD1-CG1 4.46Å; I547-I608 HydrophobicContact CD1-CG2 3.97Å; I547-I608 HydrophobicContact CG2-CD1 4.45Å; I547-I608 HydrophobicContact CG2-CG1 4.41Å; I547-I611 HydrophobicContact CD1-CB 3.99Å; I547-I611 HydrophobicContact CD1-CG2 3.84Å; I547-V613 HydrophobicContact CD1-CG1 3.98Å; I547-V613 HydrophobicContact CD1-CG2 4.42Å; I547-V613 HydrophobicContact CG1-CB 4.31Å; I547-V613 HydrophobicContact CG1-CG1 3.57Å; I547-V613 HydrophobicContact CG1-CG2 3.74Å
548	F	98.7	Very high	96.9	Very high	0 Å²	0	21.7 Å²	21.7	0%	0	13%	0.128	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.6	113.7	172.6	-179.5	-130.2	0	0	0	110.4	F526 P538 I542 Q550 H578 A581 H589 V590 I591	F526-F548 HydrophobicContact CB-CD2 4.43Å; F526-F548 AromaticContact CD1-CD2 3.63Å; F526-F548 HydrophobicContact CD1-CD2 3.63Å; F526-F548 AromaticContact CD1-CE2 3.97Å; F526-F548 HydrophobicContact CD1-CE2 3.97Å; F526-F548 HydrophobicContact CE1-CD2 4.43Å; F526-F548 HydrophobicContact CE1-CE2 4.36Å; F526-F548 HydrophobicContact CG-CD2 4.44Å; F526-F548 CarbonylContact O-C 3.31Å; F526-F548 VanDerWaalsContact O-CA 3.32Å; F526-F548 WeakPolarHBondContact O-CA 3.44Å; F526-F548 WeakPolarHBondContact O-CD2 3.41Å; P538-F548 HydrophobicContact CB-CD1 3.76Å; P538-F548 HydrophobicContact CB-CD2 4.09Å; P538-F548 HydrophobicContact CB-CE1 3.65Å; P538-F548 HydrophobicContact CB-CE2 4.01Å; P538-F548 HydrophobicContact CB-CG 3.98Å; P538-F548 HydrophobicContact CB-CZ 3.78Å; P538-F548 HydrophobicContact CG-CD1 4.45Å; P538-F548 HydrophobicContact CG-CD2 4.4Å; P538-F548 HydrophobicContact CG-CE1 3.87Å; P538-F548 HydrophobicContact CG-CE2 3.83Å; P538-F548 HydrophobicContact CG-CZ 3.54Å; I542-F548 HydrophobicContact CD1-CB 4.07Å; I542-F548 HydrophobicContact CG1-CB 4.01Å; F548-Q550 HydrophobicContact CD1-CB 4.32Å; F548-Q550 HydrophobicContact CD1-CG 4.4Å; F548-Q550 HydrophobicContact CE1-CB 3.67Å; F548-Q550 HydrophobicContact CE1-CG 4.01Å; F548-Q550 HydrophobicContact CE2-CB 4.39Å; F548-Q550 HydrophobicContact CZ-CB 3.71Å; F548-H578 HydrophobicContact CE1-CB 3.9Å; F548-A581 HydrophobicContact CD1-CB 4.35Å; F548-H589 PolarHBondContact N-O 3.34Å; F548-V590 HydrophobicContact CB-CG2 4.39Å; F548-V590 HydrophobicContact CD1-CG1 4.12Å; F548-V590 WeakPolarHBondContact O-CA 3.11Å; F548-I591 PolarHBondContact O-N 2.04Å
549	L	98.7	Very high	96.8	Very high	0 Å²	0	22.6 Å²	22.6	0%	0	13%	0.134	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.3	122.5	174.5	178.5	65.3	0	0	0	109.2	L525 F526 I527 G528 I591 I593 F595 F601 T604 I605 I608	L525-L549 HydrophobicContact CD1-CB 3.63Å; L525-L549 HydrophobicContact CD1-CD2 4.46Å; L525-L549 HydrophobicContact CD2-CD2 4.29Å; L525-L549 HydrophobicContact CG-CB 4.5Å; F526-L549 PolarHBondContact O-N 3.28Å; I527-L549 WeakPolarHBondContact CA-O 3.34Å; I527-L549 HydrophobicContact CD1-CD2 4.08Å; I527-L549 HydrophobicContact CG1-CB 4.47Å; I527-L549 HydrophobicContact CG1-CD2 4.34Å; I527-L549 HydrophobicContact CG1-CG 4.49Å; G528-L549 PolarHBondContact N-O 3.1Å; L549-I591 WeakPolarHBondContact CA-O 3.38Å; L549-I591 HydrophobicContact CD1-CB 4.03Å; L549-I591 HydrophobicContact CD1-CG2 3.86Å; L549-I593 HydrophobicContact CD1-CD1 3.94Å; L549-I593 HydrophobicContact CD1-CG1 3.81Å; L549-F595 HydrophobicContact CD1-CE1 4.24Å; L549-F595 HydrophobicContact CD2-CZ 4.41Å; L549-F595 HydrophobicContact CG-CE1 3.97Å; L549-F595 HydrophobicContact CG-CZ 3.94Å; L549-F601 HydrophobicContact CD2-CE2 3.86Å; L549-F601 HydrophobicContact CD2-CZ 4Å; L549-T604 HydrophobicContact CD1-CG2 4.07Å; L549-I605 HydrophobicContact CD2-CD1 3.75Å; L549-I608 HydrophobicContact CD1-CD1 4.42Å; L549-I608 HydrophobicContact CD2-CD1 4.29Å
550	Q	98.1	Very high	96.5	Very high	0 Å²	0	29.5 Å²	29.5	0%	0	17%	0.171	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.6	152.2	-176.1	61.5	175.5	-16	0	0	112.7	F548 Q577 V590 I591 T592 I593 F595	F548-Q550 HydrophobicContact CD1-CB 4.32Å; F548-Q550 HydrophobicContact CD1-CG 4.4Å; F548-Q550 HydrophobicContact CE1-CB 3.67Å; F548-Q550 HydrophobicContact CE1-CG 4.01Å; F548-Q550 HydrophobicContact CE2-CB 4.39Å; F548-Q550 HydrophobicContact CZ-CB 3.71Å; Q550-Q577 HydrophobicContact CB-CB 4.24Å; Q550-V590 HydrophobicContact CG-CG1 4.39Å; Q550-V590 VanDerWaalsContact NE2-CG1 3.34Å; Q550-I591 PolarHBondContact N-O 3.49Å; Q550-T592 HydrophobicContact CG-CG2 4.23Å; Q550-T592 WeakPolarHBondContact CG-OG1 3.42Å; Q550-T592 PolarHBondContact NE2-OG1 3.08Å; Q550-T592 WeakPolarHBondContact O-CA 3.37Å; Q550-I593 PolarHBondContact O-N 3.28Å; Q550-I593 VanDerWaalsContact O-N 3.16Å; Q550-F595 VanDerWaalsContact C-CE1 3.47Å; Q550-F595 WeakPolarHBondContact O-CE1 3.39Å
551	P	96.7	Very high	96.5	Very high	10 Å²	10	32.9 Å²	32.9	7%	0.065	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-74.1	140.8	175.8	29.6	-34	0	0	0	111.3	G528 G530 F553 S576 Q577 I593 F595	G528-P551 WeakPolarHBondContact O-CD 3.35Å; G530-P551 VanDerWaalsContact CA-CG 3.41Å; P551-F553 HydrophobicContact CB-CE1 4.14Å; P551-F553 HydrophobicContact CG-CE1 3.82Å; P551-F553 HydrophobicContact CG-CZ 4.18Å; P551-S576 WeakPolarHBondContact O-CA 3.45Å; P551-S576 WeakPolarHBondContact O-CB 3.45Å; P551-Q577 HydrophobicContact CG-CB 4.3Å; P551-Q577 PolarHBondContact O-N 3.33Å; P551-I593 CarbonylContact C-O 3.49Å; P551-I593 VanDerWaalsContact CA-O 3.31Å; P551-I593 WeakPolarHBondContact CA-O 3.41Å; P551-F595 HydrophobicContact CB-CD1 4.09Å; P551-F595 HydrophobicContact CB-CD2 4.24Å; P551-F595 HydrophobicContact CB-CE1 4.29Å; P551-F595 HydrophobicContact CB-CE2 4.44Å; P551-F595 HydrophobicContact CB-CG 4.06Å; P551-F595 HydrophobicContact CB-CZ 4.46Å
552	K	96.9	Very high	96.4	Very high	113 Å²	113	35.4 Å²	35.4	49%	0.491	20%	0.2	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-80.8	137.6	162.9	-170	175.3	179.4	175.1	0	109.3	T592 I593	K552-T592 HydrophobicContact CB-CG2 3.86Å; K552-T592 HydrophobicContact CG-CG2 4.33Å; K552-I593 PolarHBondContact N-O 3.43Å
553	F	96.6	Very high	96.2	Very high	25 Å²	25	42.9 Å²	42.9	11%	0.11	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.7	120	174.7	-55.6	-41.5	0	0	0	110.4	Y533 P551 P555 A556 H557 V574 S575 S576 Q577	Y533-F553 HydrophobicContact CD1-CE2 4.05Å; Y533-F553 HydrophobicContact CD1-CZ 4.46Å; Y533-F553 HydrophobicContact CE1-CD2 4.46Å; Y533-F553 AromaticContact CE1-CE2 3.5Å; Y533-F553 HydrophobicContact CE1-CE2 3.5Å; Y533-F553 AromaticContact CE1-CZ 3.76Å; Y533-F553 HydrophobicContact CE1-CZ 3.76Å; P551-F553 HydrophobicContact CB-CE1 4.14Å; P551-F553 HydrophobicContact CG-CE1 3.82Å; P551-F553 HydrophobicContact CG-CZ 4.18Å; F553-P555 CarbonylContact C-O 3.59Å; F553-P555 CarbonylContact O-C 3.6Å; F553-A556 PolarHBondContact O-N 2.85Å; F553-H557 AromaticContact CD1-CE1 3.63Å; F553-H557 AromaticContact CD2-ND1 3.77Å; F553-H557 AromaticContact CE1-CE1 3.89Å; F553-H557 AromaticContact CE2-ND1 3.94Å; F553-H557 AromaticContact CG-CE1 3.73Å; F553-H557 AromaticContact CG-ND1 3.88Å; F553-H557 AromaticContact CG-NE2 3.96Å; F553-V574 HydrophobicContact CD2-CG1 4.31Å; F553-V574 HydrophobicContact CE2-CG1 4.28Å; F553-S575 PolarHBondContact N-O 3.43Å; F553-S576 VanDerWaalsContact CD2-C 3.49Å; F553-S576 VanDerWaalsContact CE2-O 3.25Å; F553-S576 WeakPolarHBondContact CE2-O 3.42Å; F553-Q577 VanDerWaalsContact CE2-N 3.26Å; F553-Q577 HydrophobicContact CZ-CB 4.17Å
554	S	94.6	Very high	96.1	Very high	112 Å²	112	46 Å²	46	78%	0.783	25%	0.249	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-135.4	107.8	175	-162.5	0	0	0	0	109.3
555	P	95.5	Very high	96.1	Very high	98 Å²	98	46.3 Å²	46.3	64%	0.636	25%	0.25	S	C	*	.	E	Extended strand (participates in β ladder)	cis	-67.5	160	-1.6	31.5	-36.5	0	0	0	112.9	F553	F553-P555 CarbonylContact C-O 3.59Å; F553-P555 CarbonylContact O-C 3.6Å
556	A	96.9	Very high	96.1	Very high	29 Å²	29	54.4 Å²	54.4	24%	0.24	28%	0.279	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-59.7	144.1	172.5	0	0	0	0	0	111.1	F553 N561 K573 V574	F553-A556 PolarHBondContact O-N 2.85Å; A556-N561 PolarHBondContact O-ND2 2.97Å; A556-K573 HydrophobicContact CB-CB 3.94Å; A556-V574 CarbonylContact C-O 3.46Å; A556-V574 WeakPolarHBondContact CA-O 3.38Å; A556-V574 WeakPolarHBondContact CB-O 3.5Å
557	H	97.1	Very high	95.9	Very high	41 Å²	41	55 Å²	55	19%	0.19	29%	0.286	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.7	145	-179.6	-64.3	171.1	0	0	0	111.2	Y533 F553 N561 H562 F565 K573 V574	Y533-H557 AromaticContact CE1-ND1 3.81Å; Y533-H557 AromaticContact CZ-ND1 3.73Å; Y533-H557 PolarHBondContact OH-CE1 3.26Å; Y533-H557 PolarHBondContact OH-ND1 3.29Å; F553-H557 AromaticContact CD1-CE1 3.63Å; F553-H557 AromaticContact CD2-ND1 3.77Å; F553-H557 AromaticContact CE1-CE1 3.89Å; F553-H557 AromaticContact CE2-ND1 3.94Å; F553-H557 AromaticContact CG-CE1 3.73Å; F553-H557 AromaticContact CG-ND1 3.88Å; F553-H557 AromaticContact CG-NE2 3.96Å; H557-N561 WeakPolarHBondContact CA-OD1 3.43Å; H557-H562 HydrophobicContact CB-CB 4.03Å; H557-H562 AromaticContact CE1-CD2 3.63Å; H557-H562 AromaticContact CG-CD2 3.67Å; H557-H562 AromaticContact ND1-CD2 3.37Å; H557-H562 PolarHBondContact ND1-CD2 2.67Å; H557-H562 AromaticContact ND1-NE2 3.89Å; H557-F565 HydrophobicContact CB-CD2 4.14Å; H557-F565 HydrophobicContact CB-CE2 3.86Å; H557-K573 CarbonylContact O-C 3.53Å; H557-K573 WeakPolarHBondContact O-CA 3.33Å; H557-V574 HydrophobicContact CB-CB 4.48Å; H557-V574 PolarHBondContact N-O 3.41Å; H557-V574 PolarHBondContact O-N 3.09Å
558	S	95.6	Very high	95.9	Very high	5 Å²	5	56.7 Å²	56.7	4%	0.035	29%	0.293	C	S	.	.			trans	-157.7	176.2	-179.5	64.9	0	0	0	0	110.5	L560 N561 H562 F565	S558-L560 PolarHBondContact O-N 3.37Å; S558-L560 VanDerWaalsContact O-N 3.13Å; S558-L560 PolarHBondContact OG-N 3.01Å; S558-N561 PolarHBondContact N-OD1 3.44Å; S558-N561 PolarHBondContact O-N 3.1Å; S558-N561 PolarHBondContact O-OD1 2.87Å; S558-N561 PolarHBondContact OG-OD1 3.44Å; S558-H562 PolarHBondContact O-N 3.22Å; S558-F565 VanDerWaalsContact C-CB 3.48Å
559	S	94.4	Very high	95.8	Very high	18 Å²	18	56.9 Å²	56.9	13%	0.126	29%	0.294	C	S	.	.	T	Hydrogen-bonded Turn	trans	-59.5	-20.4	174.4	55.1	0	0	0	0	113.9	F565 T570	S559-F565 WeakPolarHBondContact CA-O 3.45Å; S559-F565 WeakPolarHBondContact CB-O 3.37Å; S559-T570 PolarHBondContact OG-O 3.11Å
560	L	92.1	Very high	95.8	Very high	147 Å²	147	57.2 Å²	57.2	77%	0.77	30%	0.296	S	S	*	.	T	Hydrogen-bonded Turn	trans	-83	-31.5	-179	-60.8	176.5	0	0	0	113.7	S558	S558-L560 PolarHBondContact O-N 3.37Å; S558-L560 VanDerWaalsContact O-N 3.13Å; S558-L560 PolarHBondContact OG-N 3.01Å
561	N	95.2	Very high	95.7	Very high	83 Å²	83	59.4 Å²	59.4	44%	0.444	31%	0.312	S	S	.	.	T	Hydrogen-bonded Turn	trans	-124.8	-5.1	-169.3	67	1	0	0	0	114.8	A556 H557 S558	A556-N561 PolarHBondContact O-ND2 2.97Å; H557-N561 WeakPolarHBondContact CA-OD1 3.43Å; S558-N561 PolarHBondContact N-OD1 3.44Å; S558-N561 PolarHBondContact O-N 3.1Å; S558-N561 PolarHBondContact O-OD1 2.87Å; S558-N561 PolarHBondContact OG-OD1 3.44Å
562	H	95.2	Very high	95.6	Very high	53 Å²	53	60.7 Å²	60.7	25%	0.245	32%	0.315	C	S	.	.			trans	-134.6	131.1	-176.2	-170.8	-68.5	0	0	0	112.2	Y533 H557 S558 F564 F565 R566	Y533-H562 AromaticContact CE2-CE1 3.93Å; Y533-H562 AromaticContact CZ-NE2 3.95Å; Y533-H562 PolarHBondContact OH-CD2 3.38Å; Y533-H562 PolarHBondContact OH-CE1 3.35Å; Y533-H562 VanDerWaalsContact OH-CE1 3.26Å; Y533-H562 PolarHBondContact OH-NE2 2.99Å; H557-H562 HydrophobicContact CB-CB 4.03Å; H557-H562 AromaticContact CE1-CD2 3.63Å; H557-H562 AromaticContact CG-CD2 3.67Å; H557-H562 AromaticContact ND1-CD2 3.37Å; H557-H562 PolarHBondContact ND1-CD2 2.67Å; H557-H562 AromaticContact ND1-NE2 3.89Å; S558-H562 PolarHBondContact O-N 3.22Å; H562-F564 WeakPolarHBondContact ND1-CB 3.42Å; H562-F564 PolarHBondContact ND1-N 2.97Å; H562-F564 VanDerWaalsContact ND1-N 3.18Å; H562-F564 PolarHBondContact O-N 3.04Å; H562-F565 HydrophobicContact CB-CD2 4.06Å; H562-F565 AromaticContact ND1-CD2 3.98Å; H562-F565 PolarHBondContact O-N 3.41Å; H562-F565 VanDerWaalsContact O-N 3.13Å; H562-R566 PolarHBondContact O-N 2.82Å
563	E	94.1	Very high	95.6	Very high	159 Å²	159	62.7 Å²	62.7	74%	0.743	32%	0.324	S	S	*	.	G	3₁₀ helix	trans	-58.6	-44.5	-172.2	-174.5	175.6	-166.3	0	0	113.3	F565 R566	E563-F565 PolarHBondContact O-N 3.07Å; E563-R566 VanDerWaalsContact O-CB 3.25Å; E563-R566 WeakPolarHBondContact O-CB 3.21Å; E563-R566 PolarHBondContact O-N 3.33Å
564	F	93.4	Very high	95.6	Very high	70 Å²	70	61.5 Å²	61.5	31%	0.307	32%	0.319	S	S	.	.	G	3₁₀ helix	trans	-55.8	-35	178.1	177.7	-98.3	0	0	0	113.9	F391 F531 Y533 H562 K568	F391-F564 AromaticContact CE1-CE1 3.98Å; F391-F564 HydrophobicContact CE1-CE1 3.98Å; F391-F564 HydrophobicContact CE1-CZ 4.44Å; F391-F564 HydrophobicContact CE2-CE1 4.16Å; F391-F564 AromaticContact CE2-CZ 3.94Å; F391-F564 HydrophobicContact CE2-CZ 3.94Å; F391-F564 AromaticContact CZ-CE1 3.6Å; F391-F564 HydrophobicContact CZ-CE1 3.6Å; F391-F564 AromaticContact CZ-CZ 3.62Å; F391-F564 HydrophobicContact CZ-CZ 3.62Å; F531-F564 AromaticContact CE2-CD2 3.71Å; F531-F564 HydrophobicContact CE2-CD2 3.71Å; F531-F564 AromaticContact CE2-CE2 3.82Å; F531-F564 HydrophobicContact CE2-CE2 3.82Å; F531-F564 HydrophobicContact CE2-CG 4.16Å; F531-F564 HydrophobicContact CE2-CZ 4.37Å; F531-F564 HydrophobicContact CZ-CD2 4.23Å; F531-F564 HydrophobicContact CZ-CE2 4.15Å; Y533-F564 AromaticContact CD2-CD1 3.4Å; Y533-F564 HydrophobicContact CD2-CD1 3.4Å; Y533-F564 VanDerWaalsContact CD2-CD1 3.4Å; Y533-F564 AromaticContact CD2-CE1 3.61Å; Y533-F564 HydrophobicContact CD2-CE1 3.61Å; Y533-F564 HydrophobicContact CD2-CG 4.01Å; Y533-F564 HydrophobicContact CD2-CZ 4.36Å; Y533-F564 HydrophobicContact CE2-CB 4.09Å; Y533-F564 AromaticContact CE2-CD1 3.7Å; Y533-F564 HydrophobicContact CE2-CD1 3.7Å; Y533-F564 HydrophobicContact CE2-CE1 4.37Å; Y533-F564 AromaticContact CE2-CG 3.98Å; Y533-F564 HydrophobicContact CE2-CG 3.98Å; Y533-F564 HydrophobicContact CG-CD1 4.49Å; Y533-F564 HydrophobicContact CG-CE1 4.45Å; H562-F564 WeakPolarHBondContact ND1-CB 3.42Å; H562-F564 PolarHBondContact ND1-N 2.97Å; H562-F564 VanDerWaalsContact ND1-N 3.18Å; H562-F564 PolarHBondContact O-N 3.04Å; F564-K568 WeakPolarHBondContact O-CE 3.48Å
565	F	95.7	Very high	95.7	Very high	7 Å²	7	58.3 Å²	58.3	3%	0.031	30%	0.297	C	S	.	.	G	3₁₀ helix	trans	-90.6	-8.7	-178.2	-65	-74.7	0	0	0	112.6	F391 Y533 H557 S558 S559 H562 E563 G567 K568 V574	F391-F565 HydrophobicContact CD1-CE1 4.22Å; F391-F565 HydrophobicContact CE1-CE1 4.21Å; Y533-F565 HydrophobicContact CD1-CE2 4.21Å; Y533-F565 AromaticContact CD1-CZ 3.93Å; Y533-F565 HydrophobicContact CD1-CZ 3.93Å; Y533-F565 AromaticContact CD2-CE2 3.9Å; Y533-F565 HydrophobicContact CD2-CE2 3.9Å; Y533-F565 AromaticContact CD2-CZ 3.67Å; Y533-F565 HydrophobicContact CD2-CZ 3.67Å; Y533-F565 HydrophobicContact CE1-CE2 4.03Å; Y533-F565 HydrophobicContact CE1-CZ 4.24Å; Y533-F565 AromaticContact CE2-CE2 3.7Å; Y533-F565 HydrophobicContact CE2-CE2 3.7Å; Y533-F565 AromaticContact CE2-CZ 3.98Å; Y533-F565 HydrophobicContact CE2-CZ 3.98Å; Y533-F565 HydrophobicContact CG-CE2 4.15Å; Y533-F565 AromaticContact CG-CZ 3.64Å; Y533-F565 HydrophobicContact CG-CZ 3.64Å; Y533-F565 AromaticContact CZ-CE2 3.79Å; H557-F565 HydrophobicContact CB-CD2 4.14Å; H557-F565 HydrophobicContact CB-CE2 3.86Å; S558-F565 VanDerWaalsContact C-CB 3.48Å; S559-F565 WeakPolarHBondContact CA-O 3.45Å; S559-F565 WeakPolarHBondContact CB-O 3.37Å; H562-F565 HydrophobicContact CB-CD2 4.06Å; H562-F565 AromaticContact ND1-CD2 3.98Å; H562-F565 PolarHBondContact O-N 3.41Å; H562-F565 VanDerWaalsContact O-N 3.13Å; E563-F565 PolarHBondContact O-N 3.07Å; F565-G567 PolarHBondContact O-N 3.42Å; F565-K568 HydrophobicContact CD1-CD 3.9Å; F565-K568 WeakPolarHBondContact O-CB 3.28Å; F565-K568 PolarHBondContact O-N 3.37Å; F565-K568 VanDerWaalsContact O-N 3.12Å; F565-V574 HydrophobicContact CE1-CG2 4.01Å; F565-V574 HydrophobicContact CE2-CB 4.5Å; F565-V574 HydrophobicContact CE2-CG2 4.31Å; F565-V574 HydrophobicContact CZ-CB 4.24Å; F565-V574 HydrophobicContact CZ-CG1 4.4Å; F565-V574 HydrophobicContact CZ-CG2 3.71Å
566	R	96	Very high	95.8	Very high	173 Å²	173	53.7 Å²	53.7	65%	0.653	27%	0.266	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.5	129.7	-178.7	-173.9	179.3	-72.7	162.1	-2	110.6	H562 E563 K568	H562-R566 PolarHBondContact O-N 2.82Å; E563-R566 VanDerWaalsContact O-CB 3.25Å; E563-R566 WeakPolarHBondContact O-CB 3.21Å; E563-R566 PolarHBondContact O-N 3.33Å; R566-K568 PolarHBondContact O-N 3.26Å
567	G	94.8	Very high	95.8	Very high	13 Å²	13	52.3 Å²	52.3	13%	0.134	26%	0.255	C	S	.	.	T	Hydrogen-bonded Turn	trans	78.6	-5.4	179.6	0	0	0	0	0	115.1	T410 N411 F565	T410-G567 WeakPolarHBondContact CA-O 3.46Å; T410-G567 PolarHBondContact OG1-O 3.22Å; N411-G567 PolarHBondContact N-O 2.93Å; F565-G567 PolarHBondContact O-N 3.42Å
568	K	97.1	Very high	95.9	Very high	34 Å²	34	50.5 Å²	50.5	15%	0.148	25%	0.246	C	C	.	.			trans	-65.9	144.6	169.4	-67.1	-175.7	-175.6	-79.8	0	110.2	F391 F564 F565 R566 T570	F391-K568 HydrophobicContact CB-CD 4.36Å; F391-K568 HydrophobicContact CD2-CD 4.33Å; F391-K568 HydrophobicContact CG-CD 4.24Å; F564-K568 WeakPolarHBondContact O-CE 3.48Å; F565-K568 HydrophobicContact CD1-CD 3.9Å; F565-K568 WeakPolarHBondContact O-CB 3.28Å; F565-K568 PolarHBondContact O-N 3.37Å; F565-K568 VanDerWaalsContact O-N 3.12Å; R566-K568 PolarHBondContact O-N 3.26Å; K568-T570 HydrophobicContact CB-CG2 4.28Å; K568-T570 PolarHBondContact O-N 3.16Å
569	P	97.8	Very high	96	Very high	4 Å²	4	51 Å²	51	3%	0.026	25%	0.25	C	C	.	.	S	Bend	trans	-82.3	49	-170.9	34.8	-34.4	0	0	0	112.5	Y364 T393 E394 Y397 T410 W412	Y364-P569 WeakPolarHBondContact OH-CG 3.42Å; T393-P569 WeakPolarHBondContact CA-O 3.42Å; T393-P569 HydrophobicContact CG2-CB 4.13Å; T393-P569 HydrophobicContact CG2-CG 4.27Å; T393-P569 WeakPolarHBondContact OG1-CG 3.44Å; E394-P569 PolarHBondContact N-O 3.36Å; Y397-P569 WeakPolarHBondContact CD2-O 3.17Å; Y397-P569 VanDerWaalsContact CG-C 3.47Å; Y397-P569 HydrophobicContact CG-CB 4.24Å; T410-P569 HydrophobicContact CG2-CB 4.33Å; T410-P569 WeakPolarHBondContact OG1-CB 3.4Å; W412-P569 HydrophobicContact CB-CG 4.07Å
570	T	97.4	Very high	96.1	Very high	7 Å²	7	50.6 Å²	50.6	4%	0.043	25%	0.245	C	C	.	.			trans	-155.6	144.4	-177.5	170.3	0	0	0	0	111	E394 S559 K568 R572	E394-T570 VanDerWaalsContact CD-OG1 3.31Å; E394-T570 PolarHBondContact OE1-OG1 2.97Å; S559-T570 PolarHBondContact OG-O 3.11Å; K568-T570 HydrophobicContact CB-CG2 4.28Å; K568-T570 PolarHBondContact O-N 3.16Å; T570-R572 WeakPolarHBondContact OG1-CB 3.13Å; T570-R572 PolarHBondContact OG1-N 3.36Å
571	S	95.6	Very high	96.4	Very high	47 Å²	47	43.6 Å²	43.6	33%	0.329	21%	0.209	S	C	.	.			trans	-93.1	2.2	169.7	-80.3	0	0	0	0	113.1	E394 Y397 K573	E394-S571 VanDerWaalsContact CD-N 3.35Å; E394-S571 PolarHBondContact OE1-N 3.31Å; E394-S571 WeakPolarHBondContact OE2-CB 3.4Å; E394-S571 PolarHBondContact OE2-N 3.31Å; Y397-S571 PolarHBondContact OH-OG 3.48Å; S571-K573 PolarHBondContact O-N 3.45Å
572	R	96.4	Very high	96.5	Very high	36 Å²	36	42.4 Å²	42.4	14%	0.136	20%	0.201	C	C	.	.			trans	-53	136.7	-178.5	-173.1	177.4	66.6	95.1	-2.6	111.9	E394 H428 E534 T570	E394-R572 PolarHBondContact OE1-N 3.13Å; H428-R572 WeakPolarHBondContact O-CD 3.49Å; E534-R572 IonicContact OE1-CZ 2.67Å; E534-R572 IonicContact OE1-NH1 3.45Å; E534-R572 PolarHBondContact OE1-NH1 2.94Å; E534-R572 IonicContact OE1-NH2 2.72Å; E534-R572 PolarHBondContact OE1-NH2 3.43Å; E534-R572 IonicContact OE2-CZ 2.84Å; E534-R572 IonicContact OE2-NH1 3.58Å; E534-R572 IonicContact OE2-NH2 3.85Å; E534-R572 PolarHBondContact OE2-NH2 3.4Å; T570-R572 WeakPolarHBondContact OG1-CB 3.13Å; T570-R572 PolarHBondContact OG1-N 3.36Å
573	K	96.3	Very high	96.4	Very high	156 Å²	156	44.5 Å²	44.5	68%	0.678	21%	0.21	S	C	*	.			trans	-99.3	133.8	176.7	-63.7	174.8	-174	168.4	0	109.9	A556 H557 S571	A556-K573 HydrophobicContact CB-CB 3.94Å; H557-K573 CarbonylContact O-C 3.53Å; H557-K573 WeakPolarHBondContact O-CA 3.33Å; S571-K573 PolarHBondContact O-N 3.45Å
574	V	97	Very high	96.5	Very high	0 Å²	0	40.3 Å²	40.3	0%	0	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107	107.7	-177.8	176.6	0	0	0	0	108.1	Y533 F553 A556 H557 F565 S576 P579	Y533-V574 HydrophobicContact CD1-CG1 4.19Å; F553-V574 HydrophobicContact CD2-CG1 4.31Å; F553-V574 HydrophobicContact CE2-CG1 4.28Å; A556-V574 CarbonylContact C-O 3.46Å; A556-V574 WeakPolarHBondContact CA-O 3.38Å; A556-V574 WeakPolarHBondContact CB-O 3.5Å; H557-V574 HydrophobicContact CB-CB 4.48Å; H557-V574 PolarHBondContact N-O 3.41Å; H557-V574 PolarHBondContact O-N 3.09Å; F565-V574 HydrophobicContact CE1-CG2 4.01Å; F565-V574 HydrophobicContact CE2-CB 4.5Å; F565-V574 HydrophobicContact CE2-CG2 4.31Å; F565-V574 HydrophobicContact CZ-CB 4.24Å; F565-V574 HydrophobicContact CZ-CG1 4.4Å; F565-V574 HydrophobicContact CZ-CG2 3.71Å; V574-S576 WeakPolarHBondContact CG1-O 3.22Å; V574-P579 HydrophobicContact CG1-CG 3.78Å
575	S	95.8	Very high	96.6	Very high	45 Å²	45	38.1 Å²	38.1	32%	0.315	18%	0.179	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-80.2	-19.4	-174.1	53.5	0	0	0	0	114.6	F553 E582	F553-S575 PolarHBondContact N-O 3.43Å; S575-E582 PolarHBondContact OG-OE2 3.04Å
576	S	97.9	Very high	96.7	Very high	0 Å²	0	38.6 Å²	38.6	0%	0	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-155.2	172.3	-178.3	61.2	0	0	0	0	110.1	P551 F553 V574 H578 P579 E582	P551-S576 WeakPolarHBondContact O-CA 3.45Å; P551-S576 WeakPolarHBondContact O-CB 3.45Å; F553-S576 VanDerWaalsContact CD2-C 3.49Å; F553-S576 VanDerWaalsContact CE2-O 3.25Å; F553-S576 WeakPolarHBondContact CE2-O 3.42Å; V574-S576 WeakPolarHBondContact CG1-O 3.22Å; S576-H578 PolarHBondContact O-N 3.35Å; S576-H578 VanDerWaalsContact O-N 3.16Å; S576-P579 WeakPolarHBondContact O-CD 3.43Å; S576-E582 WeakPolarHBondContact CB-OE2 3.41Å; S576-E582 PolarHBondContact OG-OE2 3.21Å
577	Q	97.3	Very high	96.7	Very high	1 Å²	1	36.6 Å²	36.6	1%	0.005	18%	0.179	C	C	.	.	S	Bend	trans	-56.3	-33.6	-179.5	-174	172.3	1.5	0	0	112.9	G530 F531 P532 Y533 E534 Q550 P551 F553	G530-Q577 VanDerWaalsContact N-CD 3.32Å; F531-Q577 VanDerWaalsContact C-NE2 3.3Å; F531-Q577 PolarHBondContact O-NE2 2.88Å; P532-Q577 WeakPolarHBondContact O-CG 3Å; P532-Q577 PolarHBondContact O-NE2 3.37Å; Y533-Q577 WeakPolarHBondContact CA-O 3.47Å; E534-Q577 PolarHBondContact N-O 2.96Å; Q550-Q577 HydrophobicContact CB-CB 4.24Å; P551-Q577 HydrophobicContact CG-CB 4.3Å; P551-Q577 PolarHBondContact O-N 3.33Å; F553-Q577 VanDerWaalsContact CE2-N 3.26Å; F553-Q577 HydrophobicContact CZ-CB 4.17Å
578	H	98.3	Very high	96.8	Very high	2 Å²	2	38.6 Å²	38.6	1%	0.009	19%	0.19	C	C	.	.			trans	-141.3	82.2	-178.8	-162.3	-53.6	0	0	0	110.6	F426 G535 F548 S576 Y580 A581 E582	F426-H578 AromaticContact CD1-CE1 3.72Å; F426-H578 AromaticContact CE1-CE1 3.2Å; F426-H578 WeakPolarHBondContact CE1-CE1 3.05Å; F426-H578 AromaticContact CE1-NE2 3.39Å; F426-H578 WeakPolarHBondContact CE1-NE2 3.46Å; F426-H578 AromaticContact CE2-NE2 4Å; F426-H578 AromaticContact CZ-CE1 3.51Å; F426-H578 AromaticContact CZ-NE2 3.21Å; F426-H578 WeakPolarHBondContact CZ-NE2 3.18Å; G535-H578 PolarHBondContact O-CD2 3.13Å; G535-H578 PolarHBondContact O-NE2 3.06Å; F548-H578 HydrophobicContact CE1-CB 3.9Å; S576-H578 PolarHBondContact O-N 3.35Å; S576-H578 VanDerWaalsContact O-N 3.16Å; H578-Y580 VanDerWaalsContact C-N 3.29Å; H578-Y580 AromaticContact CE1-CD1 3.86Å; H578-Y580 PolarHBondContact O-N 3.41Å; H578-A581 HydrophobicContact CB-CB 4.08Å; H578-A581 WeakPolarHBondContact ND1-CB 3.46Å; H578-A581 PolarHBondContact ND1-N 3.3Å; H578-A581 VanDerWaalsContact ND1-N 3.17Å; H578-A581 WeakPolarHBondContact O-CB 3.4Å; H578-A581 PolarHBondContact O-N 3.03Å; H578-E582 PolarHBondContact O-N 2.81Å; H578-E582 VanDerWaalsContact O-N 3.15Å
579	P	97.7	Very high	96.9	Very high	16 Å²	16	38.4 Å²	38.4	10%	0.104	19%	0.189	C	C	.	.	H	α-helix	trans	-56.8	-37.5	-176	-27.4	36.6	0	0	0	113.9	V574 S576 A581 E582 E583	V574-P579 HydrophobicContact CG1-CG 3.78Å; S576-P579 WeakPolarHBondContact O-CD 3.43Å; P579-A581 VanDerWaalsContact C-N 3.26Å; P579-A581 PolarHBondContact O-N 2.81Å; P579-E582 WeakPolarHBondContact O-CB 3.3Å; P579-E582 PolarHBondContact O-N 3.04Å; P579-E582 VanDerWaalsContact O-N 3.14Å; P579-E583 WeakPolarHBondContact O-CB 3.15Å; P579-E583 PolarHBondContact O-N 2.89Å
580	Y	97.6	Very high	96.9	Very high	9 Å²	9	38.3 Å²	38.3	4%	0.035	19%	0.189	C	C	.	.	H	α-helix	trans	-57.6	-39.8	174.5	172	-89.1	0	0	0	112.7	F426 P427 L539 H578 E583 Y584 I585 P618 E620 Y621	F426-Y580 AromaticContact CD1-CD1 3.83Å; F426-Y580 HydrophobicContact CD1-CD1 3.83Å; F426-Y580 HydrophobicContact CD1-CD2 4.28Å; F426-Y580 AromaticContact CD1-CG 3.63Å; F426-Y580 HydrophobicContact CD1-CG 3.63Å; F426-Y580 HydrophobicContact CE1-CD1 4.03Å; F426-Y580 HydrophobicContact CE1-CG 4.29Å; P427-Y580 HydrophobicContact CG-CD2 3.64Å; P427-Y580 HydrophobicContact CG-CE2 3.76Å; L539-Y580 HydrophobicContact CD1-CE1 4.25Å; L539-Y580 HydrophobicContact CD2-CD1 4.27Å; L539-Y580 HydrophobicContact CD2-CE1 4.07Å; H578-Y580 VanDerWaalsContact C-N 3.29Å; H578-Y580 AromaticContact CE1-CD1 3.86Å; H578-Y580 PolarHBondContact O-N 3.41Å; Y580-E583 PolarHBondContact O-N 3.26Å; Y580-Y584 AromaticContact CD2-CD2 3.48Å; Y580-Y584 HydrophobicContact CD2-CD2 3.48Å; Y580-Y584 VanDerWaalsContact CD2-CD2 3.48Å; Y580-Y584 HydrophobicContact CD2-CE2 4.15Å; Y580-Y584 AromaticContact CD2-CG 3.82Å; Y580-Y584 HydrophobicContact CD2-CG 3.82Å; Y580-Y584 HydrophobicContact CE2-CD1 4.21Å; Y580-Y584 AromaticContact CE2-CD2 3.77Å; Y580-Y584 HydrophobicContact CE2-CD2 3.77Å; Y580-Y584 AromaticContact CE2-CG 3.59Å; Y580-Y584 HydrophobicContact CE2-CG 3.59Å; Y580-Y584 HydrophobicContact CG-CD2 4.25Å; Y580-Y584 WeakPolarHBondContact O-CB 3.25Å; Y580-Y584 PolarHBondContact O-N 3.38Å; Y580-I585 HydrophobicContact CE1-CD1 4.17Å; Y580-I585 HydrophobicContact CE1-CG1 4.28Å; Y580-P618 HydrophobicContact CE1-CG 4.43Å; Y580-P618 WeakPolarHBondContact OH-CB 3.34Å; Y580-P618 WeakPolarHBondContact OH-CG 3.41Å; Y580-E620 VanDerWaalsContact CE2-OE1 3.29Å; Y580-E620 WeakPolarHBondContact CE2-OE1 3.3Å; Y580-E620 PolarHBondContact OH-OE1 2.68Å; Y580-Y621 HydrophobicContact CD1-CE2 4.42Å; Y580-Y621 HydrophobicContact CE1-CD2 4.36Å; Y580-Y621 AromaticContact CE1-CE2 3.59Å; Y580-Y621 HydrophobicContact CE1-CE2 3.59Å; Y580-Y621 AromaticContact CE2-CE2 3.98Å; Y580-Y621 HydrophobicContact CE2-CE2 3.98Å; Y580-Y621 AromaticContact CZ-CE2 3.36Å; Y580-Y621 VanDerWaalsContact OH-CE2 3.28Å; Y580-Y621 WeakPolarHBondContact OH-CE2 3.38Å
581	A	97.9	Very high	97	Very high	0 Å²	0	38 Å²	38	0%	0	19%	0.187	C	C	.	.	I	π-helix	trans	-73.5	-34.5	-179.1	0	0	0	0	0	110.3	F548 H578 P579 I585 G586 V590	F548-A581 HydrophobicContact CD1-CB 4.35Å; H578-A581 HydrophobicContact CB-CB 4.08Å; H578-A581 WeakPolarHBondContact ND1-CB 3.46Å; H578-A581 PolarHBondContact ND1-N 3.3Å; H578-A581 VanDerWaalsContact ND1-N 3.17Å; H578-A581 WeakPolarHBondContact O-CB 3.4Å; H578-A581 PolarHBondContact O-N 3.03Å; P579-A581 VanDerWaalsContact C-N 3.26Å; P579-A581 PolarHBondContact O-N 2.81Å; A581-I585 WeakPolarHBondContact O-CB 3.35Å; A581-G586 PolarHBondContact O-N 2.92Å; A581-V590 HydrophobicContact CB-CG1 4.16Å; A581-V590 HydrophobicContact CB-CG2 3.93Å; A581-V590 WeakPolarHBondContact O-CB 3.21Å; A581-V590 WeakPolarHBondContact O-CG2 3.49Å
582	E	97.4	Very high	97.1	Very high	59 Å²	59	37.3 Å²	37.3	28%	0.276	18%	0.18	S	C	.	.	I	π-helix	trans	-61.8	-48.4	172.5	179.7	175.3	-156.9	0	0	111.7	S575 S576 H578 P579	S575-E582 PolarHBondContact OG-OE2 3.04Å; S576-E582 WeakPolarHBondContact CB-OE2 3.41Å; S576-E582 PolarHBondContact OG-OE2 3.21Å; H578-E582 PolarHBondContact O-N 2.81Å; H578-E582 VanDerWaalsContact O-N 3.15Å; P579-E582 WeakPolarHBondContact O-CB 3.3Å; P579-E582 PolarHBondContact O-N 3.04Å; P579-E582 VanDerWaalsContact O-N 3.14Å
583	E	93.9	Very high	97.2	Very high	96 Å²	96	36.2 Å²	36.2	45%	0.449	18%	0.177	S	C	.	.	I	π-helix	trans	-87.1	-45.8	-168.8	-172.9	-173.4	156	0	0	113.9	P579 Y580 Q703	P579-E583 WeakPolarHBondContact O-CB 3.15Å; P579-E583 PolarHBondContact O-N 2.89Å; Y580-E583 PolarHBondContact O-N 3.26Å; E583-Q703 PolarHBondContact OE1-NE2 3.15Å; E583-Q703 PolarHBondContact OE2-NE2 2.96Å
584	Y	94.7	Very high	97.1	Very high	72 Å²	72	32 Å²	32	28%	0.282	16%	0.162	S	C	.	.	I	π-helix	trans	-95.8	-14.5	-171.4	-68.9	-95.4	0	0	0	113.7	Y580 V783	Y580-Y584 AromaticContact CD2-CD2 3.48Å; Y580-Y584 HydrophobicContact CD2-CD2 3.48Å; Y580-Y584 VanDerWaalsContact CD2-CD2 3.48Å; Y580-Y584 HydrophobicContact CD2-CE2 4.15Å; Y580-Y584 AromaticContact CD2-CG 3.82Å; Y580-Y584 HydrophobicContact CD2-CG 3.82Å; Y580-Y584 HydrophobicContact CE2-CD1 4.21Å; Y580-Y584 AromaticContact CE2-CD2 3.77Å; Y580-Y584 HydrophobicContact CE2-CD2 3.77Å; Y580-Y584 AromaticContact CE2-CG 3.59Å; Y580-Y584 HydrophobicContact CE2-CG 3.59Å; Y580-Y584 HydrophobicContact CG-CD2 4.25Å; Y580-Y584 WeakPolarHBondContact O-CB 3.25Å; Y580-Y584 PolarHBondContact O-N 3.38Å; Y584-V783 HydrophobicContact CE1-CB 4.43Å; Y584-V783 HydrophobicContact CE1-CG2 4.16Å
585	I	97.1	Very high	97	Very high	23 Å²	23	32.8 Å²	32.8	12%	0.118	17%	0.166	C	C	.	.	I	π-helix	trans	-113.9	-59.7	177.7	-54.7	-177.9	0	0	0	110.1	L539 I542 Y580 A581 H589 V590 F616 P618	L539-I585 HydrophobicContact CD2-CD1 3.45Å; L539-I585 VanDerWaalsContact CD2-CD1 3.45Å; I542-I585 HydrophobicContact CD1-CD1 3.92Å; Y580-I585 HydrophobicContact CE1-CD1 4.17Å; Y580-I585 HydrophobicContact CE1-CG1 4.28Å; A581-I585 WeakPolarHBondContact O-CB 3.35Å; I585-H589 HydrophobicContact CG2-CB 3.68Å; I585-V590 HydrophobicContact CB-CG2 3.95Å; I585-V590 HydrophobicContact CG2-CG2 3.78Å; I585-F616 HydrophobicContact CG1-CE1 4.17Å; I585-F616 HydrophobicContact CG2-CD1 3.95Å; I585-F616 HydrophobicContact CG2-CE1 3.93Å; I585-P618 HydrophobicContact CD1-CG 3.88Å; I585-P618 HydrophobicContact CG1-CG 3.99Å
586	G	96.7	Very high	96.8	Very high	18 Å²	18	37.2 Å²	37.2	19%	0.186	19%	0.186	C	C	.	.			trans	61.2	-164	177	0	0	0	0	0	114.4	A581 H589 V590	A581-G586 PolarHBondContact O-N 2.92Å; G586-H589 PolarHBondContact O-N 3.44Å; G586-V590 CarbonylContact C-O 3.52Å; G586-V590 VanDerWaalsContact C-O 3.3Å; G586-V590 PolarHBondContact O-N 3.3Å
587	R	97.3	Very high	96.6	Very high	131 Å²	131	40.4 Å²	40.4	49%	0.494	20%	0.203	S	C	.	.	T	Hydrogen-bonded Turn	trans	-67.6	146.1	179.8	-74.3	-178.9	171.6	-105.7	4.3	111.2	V590 I591 E607	R587-V590 WeakPolarHBondContact CA-O 3.48Å; R587-V590 WeakPolarHBondContact CG-O 3.23Å; R587-V590 PolarHBondContact N-O 3.45Å; R587-I591 HydrophobicContact CG-CG1 4.15Å; R587-E607 IonicContact CZ-OE1 2.85Å; R587-E607 IonicContact CZ-OE2 2.78Å; R587-E607 IonicContact NH1-OE1 3.4Å; R587-E607 PolarHBondContact NH1-OE1 3.35Å; R587-E607 IonicContact NH1-OE2 3.52Å; R587-E607 PolarHBondContact NH1-OE2 3.23Å; R587-E607 IonicContact NH2-OE2 4Å
588	P	96.8	Very high	96.5	Very high	54 Å²	54	42.5 Å²	42.5	35%	0.351	22%	0.218	S	C	.	.	T	Hydrogen-bonded Turn	cis	-86.5	-9.5	4.5	34.6	-36.4	0	0	0	114.5	I611 V613	P588-I611 HydrophobicContact CB-CG2 3.93Å; P588-V613 HydrophobicContact CB-CG1 3.97Å; P588-V613 HydrophobicContact CG-CG1 4Å
589	H	98.3	Very high	96.4	Very high	30 Å²	30	50.1 Å²	50.1	14%	0.139	25%	0.253	C	S	.	.	T	Hydrogen-bonded Turn	trans	-72.3	-29.2	-174.1	-61.9	84.6	0	0	0	113.6	I542 I547 F548 I585 G586 E614 F616	I542-H589 HydrophobicContact CG2-CB 3.95Å; I547-H589 CarbonylContact C-O 3.48Å; I547-H589 WeakPolarHBondContact CA-O 3.48Å; F548-H589 PolarHBondContact N-O 3.34Å; I585-H589 HydrophobicContact CG2-CB 3.68Å; G586-H589 PolarHBondContact O-N 3.44Å; H589-E614 PolarHBondContact CD2-O 3.36Å; H589-E614 PolarHBondContact NE2-O 3.48Å; H589-F616 WeakPolarHBondContact NE2-CB 3.44Å
590	V	98.6	Very high	96.4	Very high	3 Å²	3	52.2 Å²	52.2	2%	0.018	27%	0.266	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.3	127.3	-178.7	-176.1	0	0	0	0	109.3	I542 F548 Q550 A581 I585 G586 R587	I542-V590 HydrophobicContact CD1-CG2 3.58Å; I542-V590 HydrophobicContact CG1-CG2 4.5Å; F548-V590 HydrophobicContact CB-CG2 4.39Å; F548-V590 HydrophobicContact CD1-CG1 4.12Å; F548-V590 WeakPolarHBondContact O-CA 3.11Å; Q550-V590 HydrophobicContact CG-CG1 4.39Å; Q550-V590 VanDerWaalsContact NE2-CG1 3.34Å; A581-V590 HydrophobicContact CB-CG1 4.16Å; A581-V590 HydrophobicContact CB-CG2 3.93Å; A581-V590 WeakPolarHBondContact O-CB 3.21Å; A581-V590 WeakPolarHBondContact O-CG2 3.49Å; I585-V590 HydrophobicContact CB-CG2 3.95Å; I585-V590 HydrophobicContact CG2-CG2 3.78Å; G586-V590 CarbonylContact C-O 3.52Å; G586-V590 VanDerWaalsContact C-O 3.3Å; G586-V590 PolarHBondContact O-N 3.3Å; R587-V590 WeakPolarHBondContact CA-O 3.48Å; R587-V590 WeakPolarHBondContact CG-O 3.23Å; R587-V590 PolarHBondContact N-O 3.45Å
591	I	98.6	Very high	96.3	Very high	0 Å²	0	51.8 Å²	51.8	0%	0	26%	0.264	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.2	119.5	176.9	-61.8	171.9	0	0	0	108.3	I547 F548 L549 Q550 R587 I593 T604 I608 I611	I547-I591 HydrophobicContact CG2-CD1 3.93Å; I547-I591 HydrophobicContact CG2-CG1 4.24Å; F548-I591 PolarHBondContact O-N 2.04Å; L549-I591 WeakPolarHBondContact CA-O 3.38Å; L549-I591 HydrophobicContact CD1-CB 4.03Å; L549-I591 HydrophobicContact CD1-CG2 3.86Å; Q550-I591 PolarHBondContact N-O 3.49Å; R587-I591 HydrophobicContact CG-CG1 4.15Å; I591-I593 HydrophobicContact CG2-CG2 3.95Å; I591-T604 HydrophobicContact CD1-CG2 4.43Å; I591-T604 HydrophobicContact CG2-CG2 3.63Å; I591-I608 HydrophobicContact CD1-CD1 3.89Å; I591-I608 HydrophobicContact CD1-CG1 3.54Å; I591-I611 HydrophobicContact CD1-CD1 4.34Å
592	T	98.4	Very high	96.3	Very high	32 Å²	32	53.2 Å²	53.2	20%	0.196	27%	0.271	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.8	117.2	179.6	-53.8	0	0	0	0	109.3	Q550 K552	Q550-T592 HydrophobicContact CG-CG2 4.23Å; Q550-T592 WeakPolarHBondContact CG-OG1 3.42Å; Q550-T592 PolarHBondContact NE2-OG1 3.08Å; Q550-T592 WeakPolarHBondContact O-CA 3.37Å; K552-T592 HydrophobicContact CB-CG2 3.86Å; K552-T592 HydrophobicContact CG-CG2 4.33Å
593	I	97.5	Very high	96.4	Very high	13 Å²	13	53.1 Å²	53.1	7%	0.067	28%	0.281	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.5	161.2	-178.4	57.5	162.2	0	0	0	111.5	L549 Q550 P551 K552 I591 F595 V600 F601 T604	L549-I593 HydrophobicContact CD1-CD1 3.94Å; L549-I593 HydrophobicContact CD1-CG1 3.81Å; Q550-I593 PolarHBondContact O-N 3.28Å; Q550-I593 VanDerWaalsContact O-N 3.16Å; P551-I593 CarbonylContact C-O 3.49Å; P551-I593 VanDerWaalsContact CA-O 3.31Å; P551-I593 WeakPolarHBondContact CA-O 3.41Å; K552-I593 PolarHBondContact N-O 3.43Å; I591-I593 HydrophobicContact CG2-CG2 3.95Å; I593-F595 HydrophobicContact CD1-CD1 4.27Å; I593-F595 HydrophobicContact CD1-CE1 4.31Å; I593-F595 HydrophobicContact CG1-CD1 3.87Å; I593-F595 HydrophobicContact CG1-CE1 3.82Å; I593-F595 PolarHBondContact O-N 3.44Å; I593-V600 HydrophobicContact CB-CG1 4.13Å; I593-V600 HydrophobicContact CD1-CG1 4.46Å; I593-V600 HydrophobicContact CG2-CG1 4.08Å; I593-F601 HydrophobicContact CD1-CB 4.28Å; I593-F601 HydrophobicContact CD1-CD2 3.67Å; I593-F601 HydrophobicContact CD1-CE2 4.41Å; I593-F601 HydrophobicContact CD1-CG 4.28Å; I593-T604 HydrophobicContact CD1-CG2 4.04Å; I593-T604 HydrophobicContact CG2-CG2 4.47Å
594	D	94.8	Very high	96.6	Very high	69 Å²	69	49 Å²	49	37%	0.369	26%	0.262	S	S	.	.			trans	-75.9	115.7	168.9	-179.8	8.5	0	0	0	110	N596 N597	D594-N596 PolarHBondContact O-N 3.07Å; D594-N596 WeakPolarHBondContact OD1-CB 3.43Å; D594-N596 PolarHBondContact OD1-N 2.94Å; D594-N596 PolarHBondContact OD1-ND2 3.33Å; D594-N597 PolarHBondContact O-N 2.88Å
595	F	94.2	Very high	96.7	Very high	16 Å²	16	45.5 Å²	45.5	7%	0.07	25%	0.249	C	C	.	.	T	Hydrogen-bonded Turn	trans	-72.1	-17.6	-179.4	-79.3	21.1	0	0	0	112.7	F477 I527 G528 L549 Q550 P551 I593 N597 F601	F477-F595 HydrophobicContact CD1-CB 4.19Å; F477-F595 HydrophobicContact CD1-CD2 4Å; F477-F595 HydrophobicContact CD2-CD2 4.25Å; F477-F595 AromaticContact CE1-CD2 3.88Å; F477-F595 HydrophobicContact CE1-CD2 3.88Å; F477-F595 HydrophobicContact CE2-CD2 4.18Å; F477-F595 HydrophobicContact CE2-CE2 4.29Å; F477-F595 HydrophobicContact CG-CD2 4.19Å; F477-F595 HydrophobicContact CZ-CD2 4Å; F477-F595 HydrophobicContact CZ-CE2 4.39Å; I527-F595 HydrophobicContact CD1-CE2 4.07Å; I527-F595 HydrophobicContact CD1-CZ 4.21Å; I527-F595 HydrophobicContact CG1-CE2 4.09Å; I527-F595 HydrophobicContact CG1-CZ 4.05Å; G528-F595 WeakPolarHBondContact O-CE2 3.3Å; G528-F595 WeakPolarHBondContact O-CZ 3.26Å; L549-F595 HydrophobicContact CD1-CE1 4.24Å; L549-F595 HydrophobicContact CD2-CZ 4.41Å; L549-F595 HydrophobicContact CG-CE1 3.97Å; L549-F595 HydrophobicContact CG-CZ 3.94Å; Q550-F595 VanDerWaalsContact C-CE1 3.47Å; Q550-F595 WeakPolarHBondContact O-CE1 3.39Å; P551-F595 HydrophobicContact CB-CD1 4.09Å; P551-F595 HydrophobicContact CB-CD2 4.24Å; P551-F595 HydrophobicContact CB-CE1 4.29Å; P551-F595 HydrophobicContact CB-CE2 4.44Å; P551-F595 HydrophobicContact CB-CG 4.06Å; P551-F595 HydrophobicContact CB-CZ 4.46Å; I593-F595 HydrophobicContact CD1-CD1 4.27Å; I593-F595 HydrophobicContact CD1-CE1 4.31Å; I593-F595 HydrophobicContact CG1-CD1 3.87Å; I593-F595 HydrophobicContact CG1-CE1 3.82Å; I593-F595 PolarHBondContact O-N 3.44Å; F595-N597 VanDerWaalsContact C-N 3.26Å; F595-N597 PolarHBondContact O-N 3.42Å; F595-F601 AromaticContact CD1-CD2 3.96Å; F595-F601 HydrophobicContact CD1-CD2 3.96Å; F595-F601 AromaticContact CD1-CE2 3.95Å; F595-F601 HydrophobicContact CD1-CE2 3.95Å; F595-F601 HydrophobicContact CD2-CE2 4.23Å; F595-F601 HydrophobicContact CE1-CD2 4.3Å; F595-F601 AromaticContact CE1-CE2 3.94Å; F595-F601 HydrophobicContact CE1-CE2 3.94Å; F595-F601 HydrophobicContact CE2-CE2 4.21Å; F595-F601 HydrophobicContact CG-CD2 4.22Å; F595-F601 HydrophobicContact CG-CE2 4.11Å; F595-F601 HydrophobicContact CZ-CE2 4.08Å
596	N	91.6	Very high	96.8	Very high	137 Å²	137	50.8 Å²	50.8	73%	0.733	27%	0.267	S	S	*	.	T	Hydrogen-bonded Turn	trans	-75.2	-19.3	176.2	-61.8	-44.5	0	0	0	112.2	D594 S598	D594-N596 PolarHBondContact O-N 3.07Å; D594-N596 WeakPolarHBondContact OD1-CB 3.43Å; D594-N596 PolarHBondContact OD1-N 2.94Å; D594-N596 PolarHBondContact OD1-ND2 3.33Å; N596-S598 PolarHBondContact O-N 3.47Å
597	N	94.6	Very high	96.8	Very high	67 Å²	67	53.6 Å²	53.6	36%	0.358	28%	0.276	S	S	.	.			trans	-89.1	92.2	176.3	-170.8	-33.2	0	0	0	110.6	D594 F595 E599 V600 F601	D594-N597 PolarHBondContact O-N 2.88Å; F595-N597 VanDerWaalsContact C-N 3.26Å; F595-N597 PolarHBondContact O-N 3.42Å; N597-E599 VanDerWaalsContact C-N 3.27Å; N597-E599 PolarHBondContact O-N 3.03Å; N597-E599 PolarHBondContact OD1-N 3.17Å; N597-V600 HydrophobicContact CB-CB 4.05Å; N597-V600 HydrophobicContact CB-CG2 4.2Å; N597-V600 VanDerWaalsContact CG-CG2 3.44Å; N597-V600 WeakPolarHBondContact ND2-CG2 3.23Å; N597-V600 PolarHBondContact O-N 2.87Å; N597-V600 PolarHBondContact OD1-N 3.21Å; N597-F601 WeakPolarHBondContact O-CB 3.43Å; N597-F601 PolarHBondContact O-N 2.98Å
598	S	95.3	Very high	96.8	Very high	45 Å²	45	47.4 Å²	47.4	32%	0.315	25%	0.252	S	S	.	.	H	α-helix	trans	-57.2	-34.8	-178.6	-65.4	0	0	0	0	114.1	N596 F601 D602	N596-S598 PolarHBondContact O-N 3.47Å; S598-F601 PolarHBondContact O-N 3.38Å; S598-D602 WeakPolarHBondContact O-CB 3.38Å; S598-D602 PolarHBondContact O-N 3.49Å
599	E	96.1	Very high	96.8	Very high	162 Å²	162	47.7 Å²	47.7	76%	0.757	25%	0.249	S	C	*	.	H	α-helix	trans	-69	-46.7	178.9	-65.4	-178.6	179	0	0	111	N597 F601 D602 A603	N597-E599 VanDerWaalsContact C-N 3.27Å; N597-E599 PolarHBondContact O-N 3.03Å; N597-E599 PolarHBondContact OD1-N 3.17Å; E599-F601 VanDerWaalsContact C-N 3.3Å; E599-F601 PolarHBondContact O-N 3.27Å; E599-D602 PolarHBondContact O-N 3.42Å; E599-A603 VanDerWaalsContact O-CB 3.3Å; E599-A603 WeakPolarHBondContact O-CB 3.34Å; E599-A603 PolarHBondContact O-N 3Å
600	V	96.6	Very high	96.7	Very high	60 Å²	60	54.5 Å²	54.5	36%	0.364	28%	0.279	S	S	.	.	H	α-helix	trans	-62.5	-40.9	175	171.5	0	0	0	0	110.4	I593 N597 T604	I593-V600 HydrophobicContact CB-CG1 4.13Å; I593-V600 HydrophobicContact CD1-CG1 4.46Å; I593-V600 HydrophobicContact CG2-CG1 4.08Å; N597-V600 HydrophobicContact CB-CB 4.05Å; N597-V600 HydrophobicContact CB-CG2 4.2Å; N597-V600 VanDerWaalsContact CG-CG2 3.44Å; N597-V600 WeakPolarHBondContact ND2-CG2 3.23Å; N597-V600 PolarHBondContact O-N 2.87Å; N597-V600 PolarHBondContact OD1-N 3.21Å; V600-T604 VanDerWaalsContact O-CB 3.23Å; V600-T604 WeakPolarHBondContact O-CB 3.32Å; V600-T604 PolarHBondContact O-N 3.14Å; V600-T604 PolarHBondContact O-OG1 3.03Å
601	F	97.1	Very high	96.5	Very high	0 Å²	0	55.8 Å²	55.8	0%	0	29%	0.285	C	S	.	.	H	α-helix	trans	-63.1	-50.9	177.3	-165.4	-84.8	0	0	0	111.6	F477 I480 L481 I527 L549 I593 F595 N597 S598 E599 A603 T604 I605	F477-F601 HydrophobicContact CB-CD1 3.99Å; F477-F601 HydrophobicContact CB-CD2 3.93Å; F477-F601 HydrophobicContact CB-CE1 3.85Å; F477-F601 HydrophobicContact CB-CE2 3.79Å; F477-F601 HydrophobicContact CB-CG 4.04Å; F477-F601 HydrophobicContact CB-CZ 3.75Å; F477-F601 HydrophobicContact CD2-CE2 4.12Å; F477-F601 AromaticContact CD2-CZ 3.88Å; F477-F601 HydrophobicContact CD2-CZ 3.88Å; F477-F601 HydrophobicContact CG-CE2 4.19Å; F477-F601 HydrophobicContact CG-CZ 4.21Å; F477-F601 VanDerWaalsContact O-CE1 3.32Å; F477-F601 WeakPolarHBondContact O-CE1 3.35Å; I480-F601 HydrophobicContact CB-CD1 4.15Å; I480-F601 HydrophobicContact CB-CE1 4.43Å; I480-F601 HydrophobicContact CG2-CD1 3.85Å; I480-F601 HydrophobicContact CG2-CE1 4.3Å; L481-F601 HydrophobicContact CB-CE1 4.21Å; I527-F601 HydrophobicContact CD1-CE2 4.29Å; I527-F601 HydrophobicContact CD1-CZ 3.92Å; L549-F601 HydrophobicContact CD2-CE2 3.86Å; L549-F601 HydrophobicContact CD2-CZ 4Å; I593-F601 HydrophobicContact CD1-CB 4.28Å; I593-F601 HydrophobicContact CD1-CD2 3.67Å; I593-F601 HydrophobicContact CD1-CE2 4.41Å; I593-F601 HydrophobicContact CD1-CG 4.28Å; F595-F601 AromaticContact CD1-CD2 3.96Å; F595-F601 HydrophobicContact CD1-CD2 3.96Å; F595-F601 AromaticContact CD1-CE2 3.95Å; F595-F601 HydrophobicContact CD1-CE2 3.95Å; F595-F601 HydrophobicContact CD2-CE2 4.23Å; F595-F601 HydrophobicContact CE1-CD2 4.3Å; F595-F601 AromaticContact CE1-CE2 3.94Å; F595-F601 HydrophobicContact CE1-CE2 3.94Å; F595-F601 HydrophobicContact CE2-CE2 4.21Å; F595-F601 HydrophobicContact CG-CD2 4.22Å; F595-F601 HydrophobicContact CG-CE2 4.11Å; F595-F601 HydrophobicContact CZ-CE2 4.08Å; N597-F601 WeakPolarHBondContact O-CB 3.43Å; N597-F601 PolarHBondContact O-N 2.98Å; S598-F601 PolarHBondContact O-N 3.38Å; E599-F601 VanDerWaalsContact C-N 3.3Å; E599-F601 PolarHBondContact O-N 3.27Å; F601-A603 PolarHBondContact O-N 2.82Å; F601-T604 PolarHBondContact O-N 3.48Å; F601-I605 HydrophobicContact CD1-CG1 3.95Å; F601-I605 HydrophobicContact CE1-CD1 3.96Å; F601-I605 HydrophobicContact CE1-CG1 3.67Å; F601-I605 HydrophobicContact CZ-CD1 4.15Å; F601-I605 HydrophobicContact CZ-CG1 4.35Å; F601-I605 WeakPolarHBondContact O-CG1 3.31Å; F601-I605 PolarHBondContact O-N 3.38Å
602	D	97.9	Very high	96.1	Very high	30 Å²	30	62 Å²	62	16%	0.16	32%	0.318	C	S	.	.	H	α-helix	trans	-58.9	-46.8	177.6	-171.7	71.9	0	0	0	111.8	I480 Y484 S598 E599 T604 I605 R606	I480-D602 HydrophobicContact CG2-CB 3.94Å; I480-D602 WeakPolarHBondContact CG2-OD1 3.48Å; Y484-D602 WeakPolarHBondContact CE2-OD1 3.36Å; Y484-D602 VanDerWaalsContact CZ-OD1 3.3Å; Y484-D602 VanDerWaalsContact OH-CG 3.3Å; Y484-D602 PolarHBondContact OH-OD1 3.44Å; Y484-D602 PolarHBondContact OH-OD2 2.88Å; S598-D602 WeakPolarHBondContact O-CB 3.38Å; S598-D602 PolarHBondContact O-N 3.49Å; E599-D602 PolarHBondContact O-N 3.42Å; D602-T604 VanDerWaalsContact C-N 3.3Å; D602-T604 PolarHBondContact O-N 2.98Å; D602-I605 PolarHBondContact O-N 3.17Å; D602-R606 WeakPolarHBondContact O-CG 3.47Å; D602-R606 PolarHBondContact O-N 3.43Å; D602-R606 IonicContact OD2-CZ 3.38Å; D602-R606 IonicContact OD2-NE 2.8Å; D602-R606 PolarHBondContact OD2-NE 3.28Å; D602-R606 IonicContact OD2-NH2 3.04Å; D602-R606 PolarHBondContact OD2-NH2 3.43Å
603	A	98.1	Very high	95.7	Very high	58 Å²	58	61.3 Å²	61.3	48%	0.479	31%	0.314	S	S	.	.	H	α-helix	trans	-59.9	-41.1	176.7	0	0	0	0	0	111.9	E599 F601 R606 E607	E599-A603 VanDerWaalsContact O-CB 3.3Å; E599-A603 WeakPolarHBondContact O-CB 3.34Å; E599-A603 PolarHBondContact O-N 3Å; F601-A603 PolarHBondContact O-N 2.82Å; A603-R606 WeakPolarHBondContact O-CB 3.22Å; A603-R606 PolarHBondContact O-N 2.84Å; A603-E607 PolarHBondContact O-N 3.37Å
604	T	98.1	Very high	95.4	Very high	8 Å²	8	66.1 Å²	66.1	5%	0.049	34%	0.336	C	S	.	.	H	α-helix	trans	-66.7	-41.3	178.1	-60.9	0	0	0	0	111.7	L549 I591 I593 V600 F601 D602 R606 E607 I608	L549-T604 HydrophobicContact CD1-CG2 4.07Å; I591-T604 HydrophobicContact CD1-CG2 4.43Å; I591-T604 HydrophobicContact CG2-CG2 3.63Å; I593-T604 HydrophobicContact CD1-CG2 4.04Å; I593-T604 HydrophobicContact CG2-CG2 4.47Å; V600-T604 VanDerWaalsContact O-CB 3.23Å; V600-T604 WeakPolarHBondContact O-CB 3.32Å; V600-T604 PolarHBondContact O-N 3.14Å; V600-T604 PolarHBondContact O-OG1 3.03Å; F601-T604 PolarHBondContact O-N 3.48Å; D602-T604 VanDerWaalsContact C-N 3.3Å; D602-T604 PolarHBondContact O-N 2.98Å; T604-R606 VanDerWaalsContact C-N 3.34Å; T604-R606 PolarHBondContact O-N 3.46Å; T604-E607 WeakPolarHBondContact O-CB 3.42Å; T604-E607 PolarHBondContact O-N 2.97Å; T604-I608 HydrophobicContact CG2-CD1 3.91Å; T604-I608 HydrophobicContact CG2-CG1 4.41Å; T604-I608 WeakPolarHBondContact O-CB 3.26Å; T604-I608 VanDerWaalsContact O-CG1 3.3Å; T604-I608 WeakPolarHBondContact O-CG1 2.91Å; T604-I608 PolarHBondContact O-N 3.38Å
605	I	98.2	Very high	95.5	Very high	0 Å²	0	63 Å²	63	0%	0	32%	0.32	C	S	.	.	H	α-helix	trans	-63.2	-42.3	175.2	-61.7	-53.6	0	0	0	110.5	L481 Y484 L525 L549 F601 D602 E607 I608 M609	L481-I605 HydrophobicContact CD1-CD1 3.86Å; L481-I605 HydrophobicContact CD1-CG1 4.41Å; Y484-I605 HydrophobicContact CD1-CG2 4.4Å; Y484-I605 HydrophobicContact CD2-CB 4.24Å; Y484-I605 HydrophobicContact CD2-CG2 3.5Å; Y484-I605 HydrophobicContact CE2-CG2 4.22Å; Y484-I605 HydrophobicContact CG-CG2 3.61Å; L525-I605 HydrophobicContact CD2-CD1 4.09Å; L549-I605 HydrophobicContact CD2-CD1 3.75Å; F601-I605 HydrophobicContact CD1-CG1 3.95Å; F601-I605 HydrophobicContact CE1-CD1 3.96Å; F601-I605 HydrophobicContact CE1-CG1 3.67Å; F601-I605 HydrophobicContact CZ-CD1 4.15Å; F601-I605 HydrophobicContact CZ-CG1 4.35Å; F601-I605 WeakPolarHBondContact O-CG1 3.31Å; F601-I605 PolarHBondContact O-N 3.38Å; D602-I605 PolarHBondContact O-N 3.17Å; I605-E607 VanDerWaalsContact C-N 3.28Å; I605-E607 PolarHBondContact O-N 2.78Å; I605-I608 HydrophobicContact CD1-CD1 4.2Å; I605-I608 PolarHBondContact O-N 2.81Å; I605-M609 WeakPolarHBondContact O-CG 3.17Å; I605-M609 PolarHBondContact O-N 3.34Å
606	R	97.4	Very high	95.6	Very high	133 Å²	133	65.6 Å²	65.6	50%	0.502	33%	0.331	S	S	.	.	H	α-helix	trans	-60.8	-36.6	174.5	-68.2	174.9	-169.2	-97.9	0.7	112.7	Y484 D602 A603 T604	Y484-R606 HydrophobicContact CE1-CG 4.02Å; Y484-R606 PolarHBondContact OH-NE 2.92Å; Y484-R606 VanDerWaalsContact OH-NE 3.14Å; Y484-R606 PolarHBondContact OH-NH2 3.31Å; D602-R606 WeakPolarHBondContact O-CG 3.47Å; D602-R606 PolarHBondContact O-N 3.43Å; D602-R606 IonicContact OD2-CZ 3.38Å; D602-R606 IonicContact OD2-NE 2.8Å; D602-R606 PolarHBondContact OD2-NE 3.28Å; D602-R606 IonicContact OD2-NH2 3.04Å; D602-R606 PolarHBondContact OD2-NH2 3.43Å; A603-R606 WeakPolarHBondContact O-CB 3.22Å; A603-R606 PolarHBondContact O-N 2.84Å; T604-R606 VanDerWaalsContact C-N 3.34Å; T604-R606 PolarHBondContact O-N 3.46Å
607	E	97.3	Very high	95.8	Very high	78 Å²	78	60.7 Å²	60.7	36%	0.364	31%	0.305	S	S	.	.	H	α-helix	trans	-64.7	-52.6	173.3	-168.1	-164.8	169.5	0	0	110.5	R587 A603 T604 I605 M609 K610 I611	R587-E607 IonicContact CZ-OE1 2.85Å; R587-E607 IonicContact CZ-OE2 2.78Å; R587-E607 IonicContact NH1-OE1 3.4Å; R587-E607 PolarHBondContact NH1-OE1 3.35Å; R587-E607 IonicContact NH1-OE2 3.52Å; R587-E607 PolarHBondContact NH1-OE2 3.23Å; R587-E607 IonicContact NH2-OE2 4Å; A603-E607 PolarHBondContact O-N 3.37Å; T604-E607 WeakPolarHBondContact O-CB 3.42Å; T604-E607 PolarHBondContact O-N 2.97Å; I605-E607 VanDerWaalsContact C-N 3.28Å; I605-E607 PolarHBondContact O-N 2.78Å; E607-M609 PolarHBondContact O-N 3.04Å; E607-K610 WeakPolarHBondContact O-CA 3.32Å; E607-K610 WeakPolarHBondContact O-CB 3.39Å; E607-K610 PolarHBondContact O-N 3.43Å; E607-I611 HydrophobicContact CG-CD1 4.08Å; E607-I611 WeakPolarHBondContact O-CG1 3.38Å; E607-I611 PolarHBondContact O-N 3.23Å
608	I	97.5	Very high	95.9	Very high	0 Å²	0	57.9 Å²	57.9	0%	0	29%	0.29	C	S	.	.	H	α-helix	trans	-52.5	-42.7	178.4	-74.6	168.2	0	0	0	111.4	M485 K524 L525 I547 L549 I591 T604 I605 K610 I611	M485-I608 HydrophobicContact CE-CG2 3.84Å; K524-I608 WeakPolarHBondContact CE-O 3.25Å; K524-I608 PolarHBondContact NZ-O 3.21Å; L525-I608 HydrophobicContact CD1-CD1 3.9Å; L525-I608 HydrophobicContact CD1-CG2 4.36Å; I547-I608 HydrophobicContact CD1-CG1 4.46Å; I547-I608 HydrophobicContact CD1-CG2 3.97Å; I547-I608 HydrophobicContact CG2-CD1 4.45Å; I547-I608 HydrophobicContact CG2-CG1 4.41Å; L549-I608 HydrophobicContact CD1-CD1 4.42Å; L549-I608 HydrophobicContact CD2-CD1 4.29Å; I591-I608 HydrophobicContact CD1-CD1 3.89Å; I591-I608 HydrophobicContact CD1-CG1 3.54Å; T604-I608 HydrophobicContact CG2-CD1 3.91Å; T604-I608 HydrophobicContact CG2-CG1 4.41Å; T604-I608 WeakPolarHBondContact O-CB 3.26Å; T604-I608 VanDerWaalsContact O-CG1 3.3Å; T604-I608 WeakPolarHBondContact O-CG1 2.91Å; T604-I608 PolarHBondContact O-N 3.38Å; I605-I608 HydrophobicContact CD1-CD1 4.2Å; I605-I608 PolarHBondContact O-N 2.81Å; I608-K610 PolarHBondContact O-N 2.96Å; I608-K610 VanDerWaalsContact O-N 3.09Å; I608-I611 PolarHBondContact O-N 3.43Å; I608-I611 VanDerWaalsContact O-N 3.08Å
609	M	96.4	Very high	96	Very high	60 Å²	60	58.6 Å²	58.6	30%	0.296	29%	0.286	S	S	.	.	H	α-helix	trans	-55.8	-30	178.4	-70.1	-56.3	-72.1	0	0	112.9	N457 M485 K524 I605 E607	N457-M609 HydrophobicContact CB-CE 4.41Å; M485-M609 HydrophobicContact CE-CG 4.45Å; M485-M609 HydrophobicContact CE-SD 3.31Å; M485-M609 WeakPolarHBondContact CE-SD 3.43Å; M485-M609 HydrophobicContact CG-SD 4.24Å; K524-M609 PolarHBondContact NZ-O 3.22Å; I605-M609 WeakPolarHBondContact O-CG 3.17Å; I605-M609 PolarHBondContact O-N 3.34Å; E607-M609 PolarHBondContact O-N 3.04Å
610	K	95.6	Very high	96.1	Very high	173 Å²	173	51 Å²	51	75%	0.752	25%	0.251	S	S	*	.	H	α-helix	trans	-90.8	-18.3	-179.3	-59	173.4	-174.6	177.2	0	113.9	E607 I608	E607-K610 WeakPolarHBondContact O-CA 3.32Å; E607-K610 WeakPolarHBondContact O-CB 3.39Å; E607-K610 PolarHBondContact O-N 3.43Å; I608-K610 PolarHBondContact O-N 2.96Å; I608-K610 VanDerWaalsContact O-N 3.09Å
611	I	94.8	Very high	96.2	Very high	30 Å²	30	48.2 Å²	48.2	15%	0.154	23%	0.234	C	C	.	.			trans	-77.4	137.3	-178.7	-64.1	171.1	0	0	0	109.7	K524 I547 P588 I591 E607 I608 V613	K524-I611 WeakPolarHBondContact CE-O 3.42Å; K524-I611 PolarHBondContact NZ-O 2.98Å; I547-I611 HydrophobicContact CD1-CB 3.99Å; I547-I611 HydrophobicContact CD1-CG2 3.84Å; P588-I611 HydrophobicContact CB-CG2 3.93Å; I591-I611 HydrophobicContact CD1-CD1 4.34Å; E607-I611 HydrophobicContact CG-CD1 4.08Å; E607-I611 WeakPolarHBondContact O-CG1 3.38Å; E607-I611 PolarHBondContact O-N 3.23Å; I608-I611 PolarHBondContact O-N 3.43Å; I608-I611 VanDerWaalsContact O-N 3.08Å; I611-V613 HydrophobicContact CG2-CG1 3.64Å
612	N	90.6	Very high	96.2	Very high	131 Å²	131	48.8 Å²	48.8	70%	0.701	24%	0.238	S	C	*	.			trans	-109	125.2	163.2	-67.8	-35.6	0	0	0	108
613	V	90.2	Very high	96.3	Very high	17 Å²	17	47.4 Å²	47.4	10%	0.103	23%	0.23	C	C	.	.			trans	-114.7	144.8	176.5	-66.7	0	0	0	0	110.8	G545 I547 P588 I611	G545-V613 WeakPolarHBondContact O-CG2 3.06Å; I547-V613 HydrophobicContact CD1-CG1 3.98Å; I547-V613 HydrophobicContact CD1-CG2 4.42Å; I547-V613 HydrophobicContact CG1-CB 4.31Å; I547-V613 HydrophobicContact CG1-CG1 3.57Å; I547-V613 HydrophobicContact CG1-CG2 3.74Å; P588-V613 HydrophobicContact CB-CG1 3.97Å; P588-V613 HydrophobicContact CG-CG1 4Å; I611-V613 HydrophobicContact CG2-CG1 3.64Å
614	E	92.1	Very high	96.3	Very high	115 Å²	115	45.9 Å²	45.9	54%	0.537	21%	0.213	S	C	.	.			trans	-90	143.9	169.5	-71.4	-179.8	-178.2	0	0	110.1	Q451 H589 F616	Q451-E614 VanDerWaalsContact NE2-CG 3.35Å; H589-E614 PolarHBondContact CD2-O 3.36Å; H589-E614 PolarHBondContact NE2-O 3.48Å; E614-F616 PolarHBondContact O-N 3.14Å
615	P	95.9	Very high	96.3	Very high	3 Å²	3	45.5 Å²	45.5	2%	0.019	21%	0.211	C	C	.	.			trans	-52.9	130.6	170.8	-22.2	31.8	0	0	0	110.8	L442 R447 I450 A543	L442-P615 HydrophobicContact CD1-CB 3.85Å; L442-P615 HydrophobicContact CD1-CG 4.34Å; R447-P615 HydrophobicContact CB-CG 4.35Å; R447-P615 HydrophobicContact CG-CB 4.28Å; R447-P615 HydrophobicContact CG-CG 4.4Å; R447-P615 PolarHBondContact NE-O 2.75Å; R447-P615 PolarHBondContact NH2-O 2.96Å; I450-P615 HydrophobicContact CB-CG 4.41Å; I450-P615 HydrophobicContact CG2-CG 4.05Å; A543-P615 VanDerWaalsContact O-CB 3.3Å; A543-P615 WeakPolarHBondContact O-CB 3.44Å
616	F	95.6	Very high	96.3	Very high	71 Å²	71	45.5 Å²	45.5	31%	0.311	21%	0.211	S	C	.	.			trans	-138.6	136.1	-173.3	174.9	-109.4	0	0	0	111.4	I542 A543 I585 H589 E614 P618	I542-F616 CarbonylContact C-O 3.52Å; I542-F616 VanDerWaalsContact C-O 3.31Å; I542-F616 HydrophobicContact CG2-CB 4.21Å; I542-F616 HydrophobicContact CG2-CD1 4.23Å; I542-F616 WeakPolarHBondContact CG2-O 3.43Å; I542-F616 PolarHBondContact O-N 2.76Å; I542-F616 VanDerWaalsContact O-N 3.1Å; A543-F616 WeakPolarHBondContact CA-O 3.36Å; A543-F616 PolarHBondContact N-O 2.86Å; I585-F616 HydrophobicContact CG1-CE1 4.17Å; I585-F616 HydrophobicContact CG2-CD1 3.95Å; I585-F616 HydrophobicContact CG2-CE1 3.93Å; H589-F616 WeakPolarHBondContact NE2-CB 3.44Å; E614-F616 PolarHBondContact O-N 3.14Å; F616-P618 HydrophobicContact CE1-CG 3.82Å; F616-P618 HydrophobicContact CZ-CG 4.19Å
617	L	95.9	Very high	96.3	Very high	33 Å²	33	39.2 Å²	39.2	17%	0.173	19%	0.187	C	C	.	.			trans	-137.6	120.3	175.9	179.6	59.3	0	0	0	108.3	A439 E441 A543 T622	A439-L617 HydrophobicContact CB-CD1 3.62Å; A439-L617 HydrophobicContact CB-CD2 4.11Å; E441-L617 HydrophobicContact CG-CD2 4.02Å; A543-L617 HydrophobicContact CB-CB 4.27Å; A543-L617 HydrophobicContact CB-CD1 4.33Å; L617-T622 HydrophobicContact CD2-CG2 4.02Å; L617-T622 HydrophobicContact CG-CG2 4.24Å
618	P	97.4	Very high	96.4	Very high	9 Å²	9	35.5 Å²	35.5	6%	0.058	17%	0.17	C	C	.	.			trans	-59.9	141.1	173.3	-22.8	32.7	0	0	0	111.4	Y580 I585 F616 E620 Y621	Y580-P618 HydrophobicContact CE1-CG 4.43Å; Y580-P618 WeakPolarHBondContact OH-CB 3.34Å; Y580-P618 WeakPolarHBondContact OH-CG 3.41Å; I585-P618 HydrophobicContact CD1-CG 3.88Å; I585-P618 HydrophobicContact CG1-CG 3.99Å; F616-P618 HydrophobicContact CE1-CG 3.82Å; F616-P618 HydrophobicContact CZ-CG 4.19Å; P618-E620 VanDerWaalsContact C-N 3.26Å; P618-E620 HydrophobicContact CB-CG 4.43Å; P618-E620 PolarHBondContact O-N 3.39Å; P618-Y621 HydrophobicContact CB-CD2 4.2Å; P618-Y621 PolarHBondContact O-N 2.66Å
619	Y	97.8	Very high	96.4	Very high	60 Å²	60	35.5 Å²	35.5	24%	0.235	17%	0.17	C	C	.	.	G	3₁₀ helix	trans	-54.8	-39.2	-173.5	175.9	-103.3	0	0	0	113	K271 Y621 T622 E624 G625 G781 Q782	K271-Y619 PolarHBondContact NZ-OH 3.43Å; K271-Y619 VanDerWaalsContact NZ-OH 3.14Å; Y619-Y621 PolarHBondContact O-N 3.3Å; Y619-Y621 VanDerWaalsContact O-N 3.1Å; Y619-T622 WeakPolarHBondContact O-CB 3.24Å; Y619-T622 WeakPolarHBondContact O-CG2 3.37Å; Y619-T622 PolarHBondContact O-N 3.06Å; Y619-T622 PolarHBondContact O-OG1 3.45Å; Y619-E624 HydrophobicContact CE2-CB 4.29Å; Y619-E624 HydrophobicContact CE2-CG 4.29Å; Y619-E624 VanDerWaalsContact OH-CD 3.32Å; Y619-E624 WeakPolarHBondContact OH-CG 3.2Å; Y619-E624 PolarHBondContact OH-OE1 3.48Å; Y619-G625 WeakPolarHBondContact O-CA 3.09Å; Y619-G781 CarbonylContact C-O 3.45Å; Y619-Q782 HydrophobicContact CD1-CB 4.33Å
620	E	98	Very high	96.5	Very high	3 Å²	3	32.7 Å²	32.7	1%	0.014	16%	0.156	C	C	.	.	G	3₁₀ helix	trans	-63.6	-14.3	179.4	61.1	-162	166.7	0	0	115.6	F434 Y580 P618 R629 G781 V783	F434-E620 HydrophobicContact CE1-CB 3.95Å; F434-E620 HydrophobicContact CE1-CG 3.99Å; F434-E620 WeakPolarHBondContact CE1-OE2 3.46Å; F434-E620 HydrophobicContact CZ-CB 4.48Å; F434-E620 HydrophobicContact CZ-CG 4.26Å; Y580-E620 VanDerWaalsContact CE2-OE1 3.29Å; Y580-E620 WeakPolarHBondContact CE2-OE1 3.3Å; Y580-E620 PolarHBondContact OH-OE1 2.68Å; P618-E620 VanDerWaalsContact C-N 3.26Å; P618-E620 HydrophobicContact CB-CG 4.43Å; P618-E620 PolarHBondContact O-N 3.39Å; E620-R629 PolarHBondContact O-NH1 3.19Å; E620-R629 PolarHBondContact O-NH2 3.25Å; E620-R629 VanDerWaalsContact O-NH2 3.14Å; E620-G781 WeakPolarHBondContact CA-O 3.43Å; E620-G781 WeakPolarHBondContact CB-O 3.28Å; E620-G781 WeakPolarHBondContact CG-O 3.16Å; E620-G781 PolarHBondContact N-O 2.86Å; E620-V783 WeakPolarHBondContact OE2-CG1 3.27Å; E620-V783 PolarHBondContact OE2-N 3.4Å
621	Y	98.2	Very high	96.7	Very high	0 Å²	0	24.6 Å²	24.6	0%	0	12%	0.121	C	C	.	.	G	3₁₀ helix	trans	-104.7	10.9	172.6	-64.4	-85.7	0	0	0	113	F426 F434 F437 V438 A439 L539 Y580 P618 Y619	F426-Y621 HydrophobicContact CD1-CE1 4.32Å; F426-Y621 AromaticContact CD1-CZ 3.82Å; F426-Y621 WeakPolarHBondContact CD1-OH 3.47Å; F426-Y621 HydrophobicContact CE1-CE1 4.04Å; F426-Y621 AromaticContact CE1-CZ 3.86Å; F426-Y621 WeakPolarHBondContact CE1-OH 3.4Å; F434-Y621 HydrophobicContact CE2-CE1 4.35Å; F434-Y621 WeakPolarHBondContact CE2-OH 3.46Å; F434-Y621 HydrophobicContact CZ-CE1 4.1Å; F434-Y621 HydrophobicContact CZ-CE2 4.12Å; F434-Y621 AromaticContact CZ-CZ 3.66Å; F434-Y621 WeakPolarHBondContact CZ-OH 3.28Å; F437-Y621 HydrophobicContact CD1-CD1 4.07Å; F437-Y621 AromaticContact CD1-CE1 3.82Å; F437-Y621 HydrophobicContact CD1-CE1 3.82Å; F437-Y621 HydrophobicContact CD2-CD1 4.32Å; F437-Y621 AromaticContact CE1-CD1 3.85Å; F437-Y621 HydrophobicContact CE1-CD1 3.85Å; F437-Y621 AromaticContact CE1-CE1 3.46Å; F437-Y621 HydrophobicContact CE1-CE1 3.46Å; F437-Y621 VanDerWaalsContact CE1-CE1 3.46Å; F437-Y621 HydrophobicContact CE2-CD1 4.07Å; F437-Y621 HydrophobicContact CE2-CE1 4.49Å; F437-Y621 HydrophobicContact CG-CD1 4.31Å; F437-Y621 HydrophobicContact CG-CE1 4.5Å; F437-Y621 AromaticContact CZ-CD1 3.84Å; F437-Y621 HydrophobicContact CZ-CD1 3.84Å; F437-Y621 AromaticContact CZ-CE1 3.82Å; F437-Y621 HydrophobicContact CZ-CE1 3.82Å; F437-Y621 WeakPolarHBondContact O-CD1 3.44Å; V438-Y621 CarbonylContact C-O 3.55Å; V438-Y621 WeakPolarHBondContact CA-O 3.35Å; A439-Y621 PolarHBondContact N-O 3.12Å; L539-Y621 HydrophobicContact CD1-CD1 3.61Å; L539-Y621 HydrophobicContact CD1-CD2 3.7Å; L539-Y621 HydrophobicContact CD1-CE1 3.68Å; L539-Y621 HydrophobicContact CD1-CE2 3.79Å; L539-Y621 HydrophobicContact CD1-CG 3.63Å; Y580-Y621 HydrophobicContact CD1-CE2 4.42Å; Y580-Y621 HydrophobicContact CE1-CD2 4.36Å; Y580-Y621 AromaticContact CE1-CE2 3.59Å; Y580-Y621 HydrophobicContact CE1-CE2 3.59Å; Y580-Y621 AromaticContact CE2-CE2 3.98Å; Y580-Y621 HydrophobicContact CE2-CE2 3.98Å; Y580-Y621 AromaticContact CZ-CE2 3.36Å; Y580-Y621 VanDerWaalsContact OH-CE2 3.28Å; Y580-Y621 WeakPolarHBondContact OH-CE2 3.38Å; P618-Y621 HydrophobicContact CB-CD2 4.2Å; P618-Y621 PolarHBondContact O-N 2.66Å; Y619-Y621 PolarHBondContact O-N 3.3Å; Y619-Y621 VanDerWaalsContact O-N 3.1Å
622	T	98.2	Very high	96.8	Very high	13 Å²	13	23.1 Å²	23.1	8%	0.08	11%	0.113	C	C	.	.	S	Bend	trans	-85.3	163.6	167.6	68.3	0	0	0	0	110.5	E441 L617 Y619 E624 G625 M626	E441-T622 HydrophobicContact CG-CG2 4.12Å; E441-T622 WeakPolarHBondContact OE1-CB 3.48Å; L617-T622 HydrophobicContact CD2-CG2 4.02Å; L617-T622 HydrophobicContact CG-CG2 4.24Å; Y619-T622 WeakPolarHBondContact O-CB 3.24Å; Y619-T622 WeakPolarHBondContact O-CG2 3.37Å; Y619-T622 PolarHBondContact O-N 3.06Å; Y619-T622 PolarHBondContact O-OG1 3.45Å; T622-E624 VanDerWaalsContact C-N 3.27Å; T622-E624 PolarHBondContact O-N 2.9Å; T622-G625 PolarHBondContact O-N 3.43Å; T622-G625 PolarHBondContact OG1-N 3.49Å; T622-M626 PolarHBondContact O-N 2.86Å
623	C	98.4	Very high	97.2	Very high	0 Å²	0	17.3 Å²	17.3	0%	0	8%	0.082	C	C	.	.	H	α-helix	trans	-57.6	-44.2	173.8	-66.2	0	0	0	0	110.6	W261 A264 E441 M626 L627	W261-C623 HydrophobicContact CD2-CB 4.08Å; W261-C623 HydrophobicContact CE3-CB 3.94Å; W261-C623 HydrophobicContact CZ3-CB 4.31Å; A264-C623 HydrophobicContact CB-CB 3.5Å; E441-C623 WeakPolarHBondContact OE1-CB 3.29Å; E441-C623 PolarHBondContact OE1-N 3.22Å; C623-M626 PolarHBondContact O-N 3.32Å; C623-L627 WeakPolarHBondContact O-CG 3.27Å; C623-L627 PolarHBondContact O-N 3.04Å
624	E	98	Very high	97.5	Very high	27 Å²	27	17.1 Å²	17.1	13%	0.126	8%	0.08	C	C	.	.	H	α-helix	trans	-67.1	-44.3	-178.6	-169.7	-168.4	137.4	0	0	112.3	A264 R267 K271 Y619 T622 M626 L627 E628	A264-E624 HydrophobicContact CB-CB 3.9Å; R267-E624 IonicContact CZ-OE2 3.66Å; R267-E624 IonicContact NE-OE2 2.89Å; R267-E624 PolarHBondContact NE-OE2 2.82Å; R267-E624 IonicContact NH2-OE2 3.56Å; R267-E624 PolarHBondContact NH2-OE2 3.26Å; K271-E624 IonicContact NZ-OE1 3.38Å; Y619-E624 HydrophobicContact CE2-CB 4.29Å; Y619-E624 HydrophobicContact CE2-CG 4.29Å; Y619-E624 VanDerWaalsContact OH-CD 3.32Å; Y619-E624 WeakPolarHBondContact OH-CG 3.2Å; Y619-E624 PolarHBondContact OH-OE1 3.48Å; T622-E624 VanDerWaalsContact C-N 3.27Å; T622-E624 PolarHBondContact O-N 2.9Å; E624-M626 VanDerWaalsContact C-N 3.32Å; E624-M626 PolarHBondContact O-N 3.32Å; E624-L627 PolarHBondContact O-N 3.35Å; E624-E628 WeakPolarHBondContact O-CB 3.26Å; E624-E628 PolarHBondContact O-N 3.33Å
625	G	98.3	Very high	97.7	Very high	0 Å²	0	14.5 Å²	14.5	0%	0	7%	0.067	C	C	.	.	H	α-helix	trans	-62.4	-39.1	177.7	0	0	0	0	0	112.4	Y619 T622 R629 Q782	Y619-G625 WeakPolarHBondContact O-CA 3.09Å; T622-G625 PolarHBondContact O-N 3.43Å; T622-G625 PolarHBondContact OG1-N 3.49Å; G625-R629 WeakPolarHBondContact O-CB 3.14Å; G625-R629 PolarHBondContact O-N 3.06Å; G625-R629 VanDerWaalsContact O-N 3.1Å; G625-R629 PolarHBondContact O-NH1 3.32Å; G625-Q782 PolarHBondContact O-NE2 3.38Å
626	M	98.7	Very high	97.6	Very high	0 Å²	0	17.1 Å²	17.1	0%	0	8%	0.082	C	C	.	.	H	α-helix	trans	-68	-43.9	173.6	-174.5	168.1	178.2	0	0	112.2	W261 D315 I316 A319 M435 V438 T622 C623 E624 E628 R629 V630	W261-M626 HydrophobicContact CH2-CB 4.2Å; W261-M626 HydrophobicContact CH2-CG 4.17Å; W261-M626 HydrophobicContact CH2-SD 3.91Å; D315-M626 HydrophobicContact CB-CE 3.97Å; D315-M626 HydrophobicContact CB-SD 3.82Å; I316-M626 HydrophobicContact CG1-CE 3.95Å; A319-M626 HydrophobicContact CB-CE 4.23Å; A319-M626 HydrophobicContact CB-CG 4.48Å; M435-M626 HydrophobicContact SD-CE 4.09Å; V438-M626 HydrophobicContact CG2-CB 3.89Å; V438-M626 HydrophobicContact CG2-CG 4.43Å; V438-M626 HydrophobicContact CG2-SD 3.72Å; T622-M626 PolarHBondContact O-N 2.86Å; C623-M626 PolarHBondContact O-N 3.32Å; E624-M626 VanDerWaalsContact C-N 3.32Å; E624-M626 PolarHBondContact O-N 3.32Å; M626-E628 VanDerWaalsContact C-N 3.32Å; M626-E628 PolarHBondContact O-N 3.17Å; M626-R629 PolarHBondContact O-N 3.03Å; M626-V630 HydrophobicContact CE-CG2 4.33Å; M626-V630 HydrophobicContact CG-CG2 4.09Å; M626-V630 WeakPolarHBondContact O-CB 3.19Å; M626-V630 VanDerWaalsContact O-CG2 3.31Å; M626-V630 WeakPolarHBondContact O-CG2 3.49Å; M626-V630 PolarHBondContact O-N 3.13Å
627	L	98.6	Very high	97.6	Very high	0 Å²	0	14.4 Å²	14.4	0%	0	7%	0.07	C	C	.	.	H	α-helix	trans	-58.1	-45.3	175.7	-71.4	178.3	0	0	0	111.6	W261 A264 A265 L268 A319 V322 L323 C623 E624 R629 H631	W261-L627 HydrophobicContact CE3-CD1 4.21Å; W261-L627 HydrophobicContact CE3-CD2 3.81Å; W261-L627 HydrophobicContact CE3-CG 3.86Å; W261-L627 HydrophobicContact CZ3-CD1 4.45Å; W261-L627 HydrophobicContact CZ3-CD2 3.55Å; W261-L627 HydrophobicContact CZ3-CG 3.62Å; A264-L627 HydrophobicContact CB-CD1 3.91Å; A265-L627 HydrophobicContact CB-CD1 4.18Å; L268-L627 HydrophobicContact CD2-CB 3.54Å; A319-L627 HydrophobicContact CB-CD2 4.18Å; V322-L627 HydrophobicContact CB-CD2 4.08Å; V322-L627 HydrophobicContact CG1-CD1 3.96Å; V322-L627 HydrophobicContact CG1-CD2 3.8Å; L323-L627 HydrophobicContact CD2-CD2 4.33Å; L323-L627 HydrophobicContact CG-CD2 4.02Å; C623-L627 WeakPolarHBondContact O-CG 3.27Å; C623-L627 PolarHBondContact O-N 3.04Å; E624-L627 PolarHBondContact O-N 3.35Å; L627-R629 PolarHBondContact O-N 3.28Å; L627-H631 WeakPolarHBondContact O-CB 3.48Å; L627-H631 PolarHBondContact O-N 2.56Å
628	E	98.1	Very high	97.5	Very high	0 Å²	0	17.2 Å²	17.2	0%	0	9%	0.085	C	C	.	.	H	α-helix	trans	-60.7	-45.5	179.6	-176.5	-171.6	74.3	0	0	111.6	L268 K271 E624 M626 A632 R779 Q782 L785 L790	L268-E628 HydrophobicContact CD1-CB 4.11Å; L268-E628 HydrophobicContact CD1-CG 4.33Å; K271-E628 VanDerWaalsContact CE-OE2 3.32Å; K271-E628 WeakPolarHBondContact CE-OE2 3.18Å; K271-E628 IonicContact NZ-OE2 2.8Å; K271-E628 PolarHBondContact NZ-OE2 3.16Å; E624-E628 WeakPolarHBondContact O-CB 3.26Å; E624-E628 PolarHBondContact O-N 3.33Å; M626-E628 VanDerWaalsContact C-N 3.32Å; M626-E628 PolarHBondContact O-N 3.17Å; E628-A632 WeakPolarHBondContact O-CB 3.37Å; E628-A632 PolarHBondContact O-N 3.39Å; E628-R779 IonicContact OE1-CZ 2.74Å; E628-R779 IonicContact OE1-NH1 3.54Å; E628-R779 PolarHBondContact OE1-NH1 2.76Å; E628-R779 IonicContact OE2-CZ 2.71Å; E628-R779 IonicContact OE2-NH1 3.72Å; E628-R779 PolarHBondContact OE2-NH1 3.35Å; E628-R779 IonicContact OE2-NH2 3.09Å; E628-R779 PolarHBondContact OE2-NH2 2.88Å; E628-R779 VanDerWaalsContact OE2-NH2 3.17Å; E628-Q782 PolarHBondContact OE1-NE2 2.94Å; E628-L785 HydrophobicContact CG-CD1 4.05Å; E628-L790 VanDerWaalsContact CD-CD1 3.49Å; E628-L790 HydrophobicContact CG-CD1 3.73Å; E628-L790 HydrophobicContact CG-CD2 3.53Å; E628-L790 HydrophobicContact CG-CG 4.23Å; E628-L790 VanDerWaalsContact OE2-CD1 3.26Å; E628-L790 WeakPolarHBondContact OE2-CD1 3.18Å
629	R	98.6	Very high	97.4	Very high	0 Å²	0	18.6 Å²	18.6	0%	0	9%	0.09	C	C	.	.	H	α-helix	trans	-65.3	-50.2	178.9	-179.7	169.4	64.8	-104.6	2.5	112.4	F434 M435 E620 G625 M626 L627 H631 A632 Y633 A784	F434-R629 WeakPolarHBondContact O-CD 3.28Å; F434-R629 PolarHBondContact O-NE 3.11Å; M435-R629 VanDerWaalsContact O-CZ 3.28Å; M435-R629 PolarHBondContact O-NE 3.05Å; M435-R629 PolarHBondContact O-NH2 2.79Å; E620-R629 PolarHBondContact O-NH1 3.19Å; E620-R629 PolarHBondContact O-NH2 3.25Å; E620-R629 VanDerWaalsContact O-NH2 3.14Å; G625-R629 WeakPolarHBondContact O-CB 3.14Å; G625-R629 PolarHBondContact O-N 3.06Å; G625-R629 VanDerWaalsContact O-N 3.1Å; G625-R629 PolarHBondContact O-NH1 3.32Å; M626-R629 PolarHBondContact O-N 3.03Å; L627-R629 PolarHBondContact O-N 3.28Å; R629-H631 VanDerWaalsContact C-N 3.31Å; R629-H631 PolarHBondContact O-N 3.38Å; R629-A632 PolarHBondContact O-N 2.92Å; R629-Y633 HydrophobicContact CG-CD2 4.23Å; R629-Y633 HydrophobicContact CG-CE2 3.61Å; R629-Y633 PolarHBondContact O-N 3.26Å; R629-Y633 VanDerWaalsContact O-N 3.09Å; R629-A784 HydrophobicContact CG-CB 3.73Å
630	V	98.7	Very high	97.1	Very high	2 Å²	2	18.2 Å²	18.2	1%	0.012	10%	0.096	C	C	.	.	H	α-helix	trans	-65.6	-37.9	-180	175.9	0	0	0	0	110.6	A319 L320 L323 M435 M626 Y633 I634	A319-V630 HydrophobicContact CB-CG2 4.36Å; L320-V630 HydrophobicContact CD2-CG1 3.96Å; L323-V630 HydrophobicContact CD1-CB 4.09Å; L323-V630 HydrophobicContact CD1-CG1 3.71Å; M435-V630 HydrophobicContact SD-CG2 3.87Å; M626-V630 HydrophobicContact CE-CG2 4.33Å; M626-V630 HydrophobicContact CG-CG2 4.09Å; M626-V630 WeakPolarHBondContact O-CB 3.19Å; M626-V630 VanDerWaalsContact O-CG2 3.31Å; M626-V630 WeakPolarHBondContact O-CG2 3.49Å; M626-V630 PolarHBondContact O-N 3.13Å; V630-Y633 PolarHBondContact O-N 3.06Å; V630-I634 HydrophobicContact CG1-CD1 3.76Å; V630-I634 HydrophobicContact CG1-CG1 4.42Å; V630-I634 WeakPolarHBondContact O-CG1 3.47Å; V630-I634 PolarHBondContact O-N 2.8Å
631	H	98	Very high	96.7	Very high	2 Å²	2	21.5 Å²	21.5	1%	0.009	12%	0.119	C	C	.	.	H	α-helix	trans	-56.2	-53.2	172.5	171.7	58.1	0	0	0	111.4	L268 R277 L323 L627 R629 Y633 I634 Q635	L268-H631 HydrophobicContact CD2-CB 4.45Å; R277-H631 WeakPolarHBondContact CD-CE1 3.41Å; L323-H631 HydrophobicContact CD1-CB 4.36Å; L323-H631 HydrophobicContact CD2-CB 3.84Å; L627-H631 WeakPolarHBondContact O-CB 3.48Å; L627-H631 PolarHBondContact O-N 2.56Å; R629-H631 VanDerWaalsContact C-N 3.31Å; R629-H631 PolarHBondContact O-N 3.38Å; H631-Y633 VanDerWaalsContact C-N 3.33Å; H631-Y633 PolarHBondContact O-N 2.75Å; H631-I634 PolarHBondContact O-N 3.3Å; H631-Q635 WeakPolarHBondContact CE1-CG 3.35Å; H631-Q635 WeakPolarHBondContact O-CG 3.5Å; H631-Q635 PolarHBondContact O-N 3.26Å
632	A	97.6	Very high	95.8	Very high	0 Å²	0	27.2 Å²	27.2	0%	0	16%	0.156	C	C	.	.	H	α-helix	trans	-59.6	-41.8	-178.9	0	0	0	0	0	112.2	E628 R629 Q635 N636 W681 L785 L790	E628-A632 WeakPolarHBondContact O-CB 3.37Å; E628-A632 PolarHBondContact O-N 3.39Å; R629-A632 PolarHBondContact O-N 2.92Å; A632-Q635 PolarHBondContact O-N 2.81Å; A632-N636 WeakPolarHBondContact O-CB 3.36Å; A632-N636 PolarHBondContact O-N 3.2Å; A632-N636 PolarHBondContact O-ND2 3.24Å; A632-W681 HydrophobicContact CB-CZ2 4.22Å; A632-L785 HydrophobicContact CB-CD1 4.09Å; A632-L785 HydrophobicContact CB-CD2 3.56Å; A632-L790 HydrophobicContact CB-CD2 4.1Å
633	Y	98.4	Very high	94.6	Very high	9 Å²	9	31.8 Å²	31.8	4%	0.035	18%	0.177	C	C	.	.	H	α-helix	trans	-62.6	-45.8	175.6	-65.2	-28	0	0	0	112.6	M423 F434 R629 V630 H631 Q635 N636 Q637 W681 A784	M423-Y633 HydrophobicContact CE-CD2 4.19Å; F434-Y633 PolarHBondContact N-OH 3.15Å; F434-Y633 VanDerWaalsContact O-CE2 3.23Å; F434-Y633 WeakPolarHBondContact O-CE2 3.46Å; F434-Y633 PolarHBondContact O-OH 2.87Å; R629-Y633 HydrophobicContact CG-CD2 4.23Å; R629-Y633 HydrophobicContact CG-CE2 3.61Å; R629-Y633 PolarHBondContact O-N 3.26Å; R629-Y633 VanDerWaalsContact O-N 3.09Å; V630-Y633 PolarHBondContact O-N 3.06Å; H631-Y633 VanDerWaalsContact C-N 3.33Å; H631-Y633 PolarHBondContact O-N 2.75Å; Y633-Q635 VanDerWaalsContact C-N 3.3Å; Y633-Q635 PolarHBondContact O-N 3.47Å; Y633-N636 PolarHBondContact O-N 2.93Å; Y633-Q637 VanDerWaalsContact CD1-CD 3.48Å; Y633-Q637 HydrophobicContact CD1-CG 3.99Å; Y633-Q637 VanDerWaalsContact CD1-NE2 3.34Å; Y633-Q637 WeakPolarHBondContact O-CB 3.46Å; Y633-Q637 PolarHBondContact O-N 2.89Å; Y633-W681 AromaticContact CD1-CH2 3.6Å; Y633-W681 HydrophobicContact CD1-CH2 3.6Å; Y633-W681 HydrophobicContact CD1-CZ3 4.17Å; Y633-W681 AromaticContact CE1-CH2 3.85Å; Y633-W681 HydrophobicContact CE1-CH2 3.85Å; Y633-W681 HydrophobicContact CE1-CZ3 4.46Å; Y633-A784 VanDerWaalsContact OH-CB 3.27Å; Y633-A784 WeakPolarHBondContact OH-CB 3.36Å
634	I	97.8	Very high	93.5	Very high	13 Å²	13	35.8 Å²	35.8	7%	0.067	20%	0.2	C	C	.	.	H	α-helix	trans	-66.5	-34	-178.2	-67.9	170	0	0	0	111.8	K280 I282 L320 L323 L359 V630 H631	K280-I634 HydrophobicContact CG-CG2 3.88Å; I282-I634 HydrophobicContact CD1-CD1 4.21Å; L320-I634 HydrophobicContact CD2-CD1 3.51Å; L323-I634 HydrophobicContact CD1-CD1 4.31Å; L359-I634 HydrophobicContact CD1-CG1 4.08Å; L359-I634 HydrophobicContact CD1-CG2 4.22Å; V630-I634 HydrophobicContact CG1-CD1 3.76Å; V630-I634 HydrophobicContact CG1-CG1 4.42Å; V630-I634 WeakPolarHBondContact O-CG1 3.47Å; V630-I634 PolarHBondContact O-N 2.8Å; H631-I634 PolarHBondContact O-N 3.3Å
635	Q	94.4	Very high	92.4	Very high	59 Å²	59	38.4 Å²	38.4	28%	0.276	22%	0.22	S	C	.	.	H	α-helix	trans	-76.2	-36.7	178.3	-64.6	-46.8	-64.1	0	0	112.7	H631 A632 Y633	H631-Q635 WeakPolarHBondContact CE1-CG 3.35Å; H631-Q635 WeakPolarHBondContact O-CG 3.5Å; H631-Q635 PolarHBondContact O-N 3.26Å; A632-Q635 PolarHBondContact O-N 2.81Å; Y633-Q635 VanDerWaalsContact C-N 3.3Å; Y633-Q635 PolarHBondContact O-N 3.47Å
636	N	94.9	Very high	91.4	Very high	59 Å²	59	39.8 Å²	39.8	32%	0.316	23%	0.226	S	C	.	.	H	α-helix	trans	-121.8	-23.8	-162.3	-55.1	-69.5	0	0	0	116	A632 Y633 D638 W681	A632-N636 WeakPolarHBondContact O-CB 3.36Å; A632-N636 PolarHBondContact O-N 3.2Å; A632-N636 PolarHBondContact O-ND2 3.24Å; Y633-N636 PolarHBondContact O-N 2.93Å; N636-D638 PolarHBondContact O-N 2.89Å; N636-D638 VanDerWaalsContact O-N 3.12Å; N636-W681 HydrophobicContact CB-CB 3.95Å; N636-W681 HydrophobicContact CB-CD2 3.41Å; N636-W681 VanDerWaalsContact CB-CD2 3.41Å; N636-W681 VanDerWaalsContact CB-CE2 3.5Å; N636-W681 HydrophobicContact CB-CE3 4.18Å; N636-W681 HydrophobicContact CB-CG 3.3Å; N636-W681 HydrophobicContact CB-CZ2 4.3Å
637	Q	95.3	Very high	90.2	Very high	14 Å²	14	42.2 Å²	42.2	7%	0.065	24%	0.242	C	C	.	.			trans	-80.2	95.3	176.4	-75.2	-170.5	-13.9	0	0	110.8	R386 S433 Y633 F639 W681	R386-Q637 PolarHBondContact NH2-O 3.37Å; S433-Q637 PolarHBondContact OG-NE2 3.12Å; Y633-Q637 VanDerWaalsContact CD1-CD 3.48Å; Y633-Q637 HydrophobicContact CD1-CG 3.99Å; Y633-Q637 VanDerWaalsContact CD1-NE2 3.34Å; Y633-Q637 WeakPolarHBondContact O-CB 3.46Å; Y633-Q637 PolarHBondContact O-N 2.89Å; Q637-F639 HydrophobicContact CB-CE2 4.22Å; Q637-F639 HydrophobicContact CB-CZ 4.19Å; Q637-F639 HydrophobicContact CG-CZ 4.45Å; Q637-W681 HydrophobicContact CG-CE3 3.68Å; Q637-W681 HydrophobicContact CG-CH2 4.03Å; Q637-W681 HydrophobicContact CG-CZ3 3.22Å
638	D	93.8	Very high	89	Confident	91 Å²	91	44.1 Å²	44.1	49%	0.487	25%	0.254	S	S	.	.			trans	-110.3	122.4	173.9	-174.6	10.3	0	0	0	111.1	N636 C640 S641	N636-D638 PolarHBondContact O-N 2.89Å; N636-D638 VanDerWaalsContact O-N 3.12Å; D638-C640 WeakPolarHBondContact OD1-CB 3.02Å; D638-C640 PolarHBondContact OD1-N 3.39Å; D638-S641 PolarHBondContact OD1-N 3.19Å; D638-S641 WeakPolarHBondContact OD2-CB 3.48Å; D638-S641 PolarHBondContact OD2-OG 3.46Å
639	F	94.9	Very high	87.6	Confident	38 Å²	38	50.4 Å²	50.4	17%	0.167	29%	0.292	C	S	.	.	S	Bend	trans	-113.8	1.6	175.3	-52.2	-64.8	0	0	0	112.1	C383 R386 H418 Q420 Q421 Q637	C383-F639 HydrophobicContact CB-CB 4.12Å; C383-F639 WeakPolarHBondContact CB-O 3.49Å; R386-F639 VanDerWaalsContact CZ-CD2 3.45Å; R386-F639 VanDerWaalsContact CZ-CE2 3.45Å; H418-F639 HydrophobicContact CB-CD1 4.13Å; H418-F639 HydrophobicContact CB-CE1 4.47Å; H418-F639 AromaticContact CE1-CE1 3.72Å; H418-F639 AromaticContact CG-CD1 3.84Å; H418-F639 AromaticContact CG-CE1 3.92Å; H418-F639 AromaticContact ND1-CD1 3.71Å; H418-F639 AromaticContact ND1-CE1 3.29Å; H418-F639 VanDerWaalsContact ND1-CE1 3.29Å; H418-F639 WeakPolarHBondContact ND1-CE1 3.44Å; Q420-F639 HydrophobicContact CB-CE1 4.11Å; Q420-F639 HydrophobicContact CB-CZ 3.77Å; Q421-F639 HydrophobicContact CG-CD2 3.55Å; Q421-F639 HydrophobicContact CG-CE2 3.64Å; Q421-F639 HydrophobicContact CG-CG 4.1Å; Q421-F639 HydrophobicContact CG-CZ 4.27Å; Q637-F639 HydrophobicContact CB-CE2 4.22Å; Q637-F639 HydrophobicContact CB-CZ 4.19Å; Q637-F639 HydrophobicContact CG-CZ 4.45Å
640	C	92.7	Very high	85.8	Confident	53 Å²	53	58.1 Å²	58.1	36%	0.358	33%	0.333	S	S	.	.	S	Bend	trans	-98	-26.5	-175.7	-66.3	0	0	0	0	112.5	C383 H384 D638	C383-C640 HydrophobicContact CB-CB 3.87Å; C383-C640 WeakPolarHBondContact CB-SG 3.37Å; C383-C640 WeakPolarHBondContact SG-CA 3.41Å; C383-C640 WeakPolarHBondContact SG-CB 3.39Å; C383-C640 CovalentContact SG-SG 2.04Å; C383-C640 PolarHBondContact SG-SG 2.77Å; H384-C640 PolarHBondContact CE1-SG 3.19Å; D638-C640 WeakPolarHBondContact OD1-CB 3.02Å; D638-C640 PolarHBondContact OD1-N 3.39Å
641	S	88.3	Confident	84.1	Confident	71 Å²	71	59.4 Å²	59.4	50%	0.497	34%	0.344	S	S	.	.	S	Bend	trans	-67.6	139.2	170.9	-70.2	0	0	0	0	110.8	D638 E643	D638-S641 PolarHBondContact OD1-N 3.19Å; D638-S641 WeakPolarHBondContact OD2-CB 3.48Å; D638-S641 PolarHBondContact OD2-OG 3.46Å; S641-E643 PolarHBondContact O-N 2.84Å
642	P	79.5	Confident	82.5	Confident	120 Å²	120	62.7 Å²	62.7	78%	0.779	37%	0.368	S	S	*	.	P	Polyproline II helix	trans	-63	130.6	175.5	26.2	-32.9	0	0	0	109.7	V644	P642-V644 PolarHBondContact O-N 3.33Å
643	E	74	Confident	80.9	Confident	110 Å²	110	65.5 Å²	65.5	51%	0.514	38%	0.378	S	S	.	.	P	Polyproline II helix	trans	-67.8	128.2	175.1	-69	-172.7	-173.6	0	0	110.2	S641	S641-E643 PolarHBondContact O-N 2.84Å
644	V	74.8	Confident	79	Confident	83 Å²	83	69.1 Å²	69.1	50%	0.503	41%	0.41	S	S	.	.	P	Polyproline II helix	trans	-74.6	126.6	174	-177.4	0	0	0	0	108.4	P642 F646 R715	P642-V644 PolarHBondContact O-N 3.33Å; V644-F646 PolarHBondContact O-N 2.82Å; V644-R715 PolarHBondContact O-NH1 2.87Å
645	P	75.7	Confident	77.1	Confident	83 Å²	83	72.5 Å²	72.5	54%	0.539	44%	0.435	S	S	.	.	P	Polyproline II helix	trans	-54.6	138.9	176.6	-25.7	33.8	0	0	0	111.9	P647	P645-P647 CarbonylContact O-C 3.31Å
646	F	77.1	Confident	75.6	Confident	29 Å²	29	70.2 Å²	70.2	13%	0.127	42%	0.424	C	S	.	.	S	Bend	trans	-124.7	129.1	173.4	-175.9	-91.3	0	0	0	109.8	V644 W653 L656 W671 F678 R715 F716 I719	V644-F646 PolarHBondContact O-N 2.82Å; F646-W653 HydrophobicContact CZ-CZ3 4.35Å; F646-L656 HydrophobicContact CE2-CD1 4.32Å; F646-L656 HydrophobicContact CZ-CD1 4.32Å; F646-W671 HydrophobicContact CE2-CH2 4.13Å; F646-W671 AromaticContact CZ-CH2 3.79Å; F646-W671 HydrophobicContact CZ-CH2 3.79Å; F646-F678 HydrophobicContact CD2-CD2 4.46Å; F646-F678 HydrophobicContact CD2-CE1 4.33Å; F646-F678 HydrophobicContact CD2-CE2 4.25Å; F646-F678 HydrophobicContact CD2-CZ 4.18Å; F646-F678 HydrophobicContact CE2-CD2 4.16Å; F646-F678 AromaticContact CE2-CE2 3.73Å; F646-F678 HydrophobicContact CE2-CE2 3.73Å; F646-F678 AromaticContact CE2-CZ 3.94Å; F646-F678 HydrophobicContact CE2-CZ 3.94Å; F646-R715 WeakPolarHBondContact CD1-O 3.39Å; F646-F716 HydrophobicContact CB-CD1 4.33Å; F646-F716 HydrophobicContact CD1-CB 4.42Å; F646-F716 HydrophobicContact CD1-CD1 4.07Å; F646-F716 AromaticContact CD2-CD1 3.71Å; F646-F716 HydrophobicContact CD2-CD1 3.71Å; F646-F716 HydrophobicContact CD2-CE1 4.06Å; F646-F716 HydrophobicContact CE1-CB 4.36Å; F646-F716 HydrophobicContact CE1-CD1 4.32Å; F646-F716 VanDerWaalsContact CE1-O 3.29Å; F646-F716 WeakPolarHBondContact CE1-O 3.5Å; F646-F716 HydrophobicContact CE2-CD1 4Å; F646-F716 AromaticContact CG-CD1 3.75Å; F646-F716 HydrophobicContact CG-CD1 3.75Å; F646-F716 HydrophobicContact CG-CE1 4.3Å; F646-F716 HydrophobicContact CZ-CD1 4.3Å; F646-I719 HydrophobicContact CD1-CG2 4.43Å; F646-I719 HydrophobicContact CE1-CD1 4.06Å; F646-I719 HydrophobicContact CE1-CG2 4.37Å
647	P	73.7	Confident	74	Confident	51 Å²	51	72.5 Å²	72.5	33%	0.331	45%	0.445	S	S	.	.	S	Bend	cis	-67.8	159.1	-5.7	30.9	-32.9	0	0	0	111.2	P645 V649	P645-P647 CarbonylContact O-C 3.31Å; P647-V649 PolarHBondContact O-N 2.98Å
648	P	73.3	Confident	72.8	Confident	40 Å²	40	73.1 Å²	73.1	26%	0.26	46%	0.456	S	S	.	.			trans	-56.1	138.1	174.6	-23.6	32.8	0	0	0	111.1	N650 A651 F678	P648-N650 PolarHBondContact O-N 3.26Å; P648-A651 HydrophobicContact CB-CB 3.9Å; P648-A651 HydrophobicContact CG-CB 4.09Å; P648-A651 PolarHBondContact O-N 2.77Å; P648-F678 HydrophobicContact CG-CE1 3.68Å; P648-F678 HydrophobicContact CG-CZ 4.07Å
649	V	67.1	Low	72.1	Confident	131 Å²	131	68.8 Å²	68.8	79%	0.794	43%	0.432	S	S	*	.	T	Hydrogen-bonded Turn	trans	-51.8	-27.4	-173.6	-177	0	0	0	0	113.7	P647	P647-V649 PolarHBondContact O-N 2.98Å
650	N	62.7	Low	71.8	Confident	162 Å²	162	67.9 Å²	67.9	87%	0.866	43%	0.428	S	S	*	.	T	Hydrogen-bonded Turn	trans	-109.5	9.2	-178.2	-63	-19.6	0	0	0	114.2	P648	P648-N650 PolarHBondContact O-N 3.26Å
651	A	61.7	Low	71.5	Confident	29 Å²	29	69.4 Å²	69.4	24%	0.24	43%	0.432	C	S	.	.			trans	-106.4	126.3	-179.9	0	0	0	0	0	110.7	P648	P648-A651 HydrophobicContact CB-CB 3.9Å; P648-A651 HydrophobicContact CG-CB 4.09Å; P648-A651 PolarHBondContact O-N 2.77Å
652	S	64	Low	71.4	Confident	72 Å²	72	70.6 Å²	70.6	50%	0.503	44%	0.438	S	S	.	.			trans	-79.1	149.8	168.2	64	0	0	0	0	110.3	A654 S655	S652-A654 PolarHBondContact O-N 3.3Å; S652-S655 WeakPolarHBondContact O-CA 3.46Å; S652-S655 WeakPolarHBondContact O-CB 3.33Å; S652-S655 PolarHBondContact O-N 2.94Å; S652-S655 PolarHBondContact OG-N 2.92Å
653	W	63.8	Low	71.6	Confident	58 Å²	58	68.3 Å²	68.3	22%	0.22	42%	0.419	C	S	.	.	G	3₁₀ helix	trans	-56.1	-35.6	174.2	-176.7	-108.4	0	0	0	112.8	F646 S655 L656 P659 F660 I719 E721	F646-W653 HydrophobicContact CZ-CZ3 4.35Å; W653-S655 PolarHBondContact O-N 2.86Å; W653-L656 HydrophobicContact CE3-CD1 3.81Å; W653-L656 HydrophobicContact CZ3-CD1 4.03Å; W653-L656 WeakPolarHBondContact O-CB 3.21Å; W653-L656 PolarHBondContact O-N 3.01Å; W653-P659 HydrophobicContact CH2-CG 3.34Å; W653-P659 HydrophobicContact CZ2-CG 4Å; W653-P659 HydrophobicContact CZ3-CG 3.86Å; W653-F660 AromaticContact CH2-CD2 3.76Å; W653-F660 HydrophobicContact CH2-CD2 3.76Å; W653-F660 AromaticContact CH2-CE2 3.42Å; W653-F660 HydrophobicContact CH2-CE2 3.42Å; W653-F660 VanDerWaalsContact CH2-CE2 3.42Å; W653-F660 HydrophobicContact CH2-CZ 4.33Å; W653-F660 AromaticContact CZ2-CD2 3.79Å; W653-F660 HydrophobicContact CZ2-CD2 3.79Å; W653-F660 AromaticContact CZ2-CE2 3.87Å; W653-F660 HydrophobicContact CZ2-CE2 3.87Å; W653-I719 HydrophobicContact CE3-CD1 3.71Å; W653-I719 HydrophobicContact CH2-CD1 3.48Å; W653-I719 VanDerWaalsContact CH2-CD1 3.48Å; W653-I719 HydrophobicContact CZ2-CD1 4.36Å; W653-I719 HydrophobicContact CZ3-CD1 3.11Å; W653-E721 HydrophobicContact CB-CG 4.14Å; W653-E721 HydrophobicContact CD2-CB 3.7Å; W653-E721 HydrophobicContact CD2-CG 3.8Å; W653-E721 HydrophobicContact CE3-CB 4.29Å; W653-E721 HydrophobicContact CG-CB 4.02Å; W653-E721 HydrophobicContact CG-CG 3.58Å; W653-E721 HydrophobicContact CH2-CB 4.3Å; W653-E721 HydrophobicContact CZ2-CB 3.68Å
654	A	59.7	Low	71.9	Confident	86 Å²	86	68.2 Å²	68.2	71%	0.711	43%	0.428	S	S	*	.	G	3₁₀ helix	trans	-58.1	-31.9	173	0	0	0	0	0	112.6	S652 L656 S657	S652-A654 PolarHBondContact O-N 3.3Å; A654-L656 VanDerWaalsContact C-N 3.29Å; A654-L656 PolarHBondContact O-N 3.46Å; A654-S657 PolarHBondContact O-N 3.29Å
655	S	58.7	Low	72	Confident	83 Å²	83	72.8 Å²	72.8	58%	0.58	45%	0.45	S	S	*	.	G	3₁₀ helix	trans	-72.6	-18.8	174.9	-170.3	0	0	0	0	113.5	S652 W653 S657	S652-S655 WeakPolarHBondContact O-CA 3.46Å; S652-S655 WeakPolarHBondContact O-CB 3.33Å; S652-S655 PolarHBondContact O-N 2.94Å; S652-S655 PolarHBondContact OG-N 2.92Å; W653-S655 PolarHBondContact O-N 2.86Å; S655-S657 VanDerWaalsContact C-N 3.33Å
656	L	62.3	Low	72.2	Confident	11 Å²	11	71.1 Å²	71.1	6%	0.058	44%	0.44	C	S	.	.	G	3₁₀ helix	trans	-88.8	0.2	177.3	-63.7	174.2	0	0	0	112.9	F646 W653 A654 G658 F678	F646-L656 HydrophobicContact CE2-CD1 4.32Å; F646-L656 HydrophobicContact CZ-CD1 4.32Å; W653-L656 HydrophobicContact CE3-CD1 3.81Å; W653-L656 HydrophobicContact CZ3-CD1 4.03Å; W653-L656 WeakPolarHBondContact O-CB 3.21Å; W653-L656 PolarHBondContact O-N 3.01Å; A654-L656 VanDerWaalsContact C-N 3.29Å; A654-L656 PolarHBondContact O-N 3.46Å; L656-G658 PolarHBondContact O-N 3.24Å; L656-G658 VanDerWaalsContact O-N 3.1Å; L656-F678 HydrophobicContact CD2-CE2 4.1Å; L656-F678 HydrophobicContact CD2-CZ 3.89Å
657	S	61.8	Low	72.6	Confident	108 Å²	108	80.2 Å²	80.2	76%	0.755	47%	0.474	S	S	*	.	T	Hydrogen-bonded Turn	trans	53.4	27.1	179.3	-55.7	0	0	0	0	114.6	A654 S655	A654-S657 PolarHBondContact O-N 3.29Å; S655-S657 VanDerWaalsContact C-N 3.33Å
658	G	68.9	Low	73.5	Confident	27 Å²	27	78.1 Å²	78.1	28%	0.278	46%	0.46	S	S	.	.			trans	60.2	84.6	-177.8	0	0	0	0	0	112.8	L656 F660	L656-G658 PolarHBondContact O-N 3.24Å; L656-G658 VanDerWaalsContact O-N 3.1Å; G658-F660 PolarHBondContact O-N 3.37Å; G658-F660 VanDerWaalsContact O-N 3.14Å
659	P	79.7	Confident	74.4	Confident	0 Å²	0	76.9 Å²	76.9	0%	0	45%	0.451	C	S	.	.			trans	-65.4	-16.4	-177.1	26.6	-37.4	0	0	0	114.5	W653 W671 A672 T675	W653-P659 HydrophobicContact CH2-CG 3.34Å; W653-P659 HydrophobicContact CZ2-CG 4Å; W653-P659 HydrophobicContact CZ3-CG 3.86Å; P659-W671 HydrophobicContact CB-CD2 3.78Å; P659-W671 HydrophobicContact CB-CE3 3.82Å; P659-W671 HydrophobicContact CB-CH2 3.61Å; P659-W671 HydrophobicContact CB-CZ2 3.51Å; P659-W671 HydrophobicContact CB-CZ3 3.75Å; P659-W671 HydrophobicContact CG-CE3 4.27Å; P659-W671 HydrophobicContact CG-CH2 3.59Å; P659-W671 HydrophobicContact CG-CZ2 3.98Å; P659-W671 HydrophobicContact CG-CZ3 3.73Å; P659-W671 CarbonylContact O-C 3.55Å; P659-W671 WeakPolarHBondContact O-CA 3.48Å; P659-A672 PolarHBondContact O-N 3.48Å; P659-T675 HydrophobicContact CB-CG2 4.13Å
660	F	87.6	Confident	75.6	Confident	18 Å²	18	71.8 Å²	71.8	8%	0.079	42%	0.42	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.2	118.4	-179.1	-58.4	-61	0	0	0	111.4	W653 G658 L669 T670 W671 L687 L689 I717 I719 A722 A725	W653-F660 AromaticContact CH2-CD2 3.76Å; W653-F660 HydrophobicContact CH2-CD2 3.76Å; W653-F660 AromaticContact CH2-CE2 3.42Å; W653-F660 HydrophobicContact CH2-CE2 3.42Å; W653-F660 VanDerWaalsContact CH2-CE2 3.42Å; W653-F660 HydrophobicContact CH2-CZ 4.33Å; W653-F660 AromaticContact CZ2-CD2 3.79Å; W653-F660 HydrophobicContact CZ2-CD2 3.79Å; W653-F660 AromaticContact CZ2-CE2 3.87Å; W653-F660 HydrophobicContact CZ2-CE2 3.87Å; G658-F660 PolarHBondContact O-N 3.37Å; G658-F660 VanDerWaalsContact O-N 3.14Å; F660-L669 HydrophobicContact CB-CB 4.39Å; F660-L669 HydrophobicContact CB-CD1 4.12Å; F660-T670 CarbonylContact C-O 3.57Å; F660-T670 WeakPolarHBondContact CA-O 3.26Å; F660-W671 HydrophobicContact CD1-CE3 4.37Å; F660-W671 AromaticContact CE1-CE3 3.94Å; F660-W671 HydrophobicContact CE1-CE3 3.94Å; F660-W671 AromaticContact CE1-CZ3 3.94Å; F660-W671 HydrophobicContact CE1-CZ3 3.94Å; F660-W671 HydrophobicContact CZ-CZ3 4.12Å; F660-L687 HydrophobicContact CE1-CD2 3.93Å; F660-L689 HydrophobicContact CD1-CD2 3.91Å; F660-L689 HydrophobicContact CE1-CD2 3.69Å; F660-L689 HydrophobicContact CG-CD2 4.46Å; F660-L689 HydrophobicContact CZ-CD2 4.04Å; F660-I717 HydrophobicContact CE1-CG2 4.2Å; F660-I717 HydrophobicContact CZ-CG2 4.17Å; F660-I719 HydrophobicContact CE2-CD1 4.45Å; F660-A722 HydrophobicContact CE2-CB 3.78Å; F660-A722 HydrophobicContact CZ-CB 4Å; F660-A725 HydrophobicContact CB-CB 3.91Å; F660-A725 HydrophobicContact CD2-CB 3.8Å; F660-A725 HydrophobicContact CG-CB 4.16Å
661	L	87.4	Confident	76.7	Confident	85 Å²	85	64.9 Å²	64.9	45%	0.445	38%	0.382	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.7	131.3	177.7	-62.5	177.5	0	0	0	110.6	L663 L669 T670 A672	L661-L663 PolarHBondContact O-N 3.01Å; L661-L669 CarbonylContact O-C 3.59Å; L661-L669 WeakPolarHBondContact O-CA 3.47Å; L661-T670 PolarHBondContact N-O 3.11Å; L661-T670 PolarHBondContact O-N 2.88Å; L661-T670 PolarHBondContact O-OG1 3.37Å; L661-A672 HydrophobicContact CD1-CB 3.58Å; L661-A672 HydrophobicContact CG-CB 3.96Å
662	P	85.6	Confident	77.7	Confident	96 Å²	96	64.2 Å²	64.2	62%	0.623	38%	0.376	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-66.5	134.3	177.5	28.1	-34	0	0	0	110.8	L669	P662-L669 HydrophobicContact CB-CD2 4.08Å
663	L	84.1	Confident	77.9	Confident	73 Å²	73	64.5 Å²	64.5	38%	0.382	38%	0.383	S	S	.	.	P	Polyproline II helix	trans	-74.9	131.8	169.9	-169.3	73.6	0	0	0	108.9	L661 N665 S666 V668 T670	L661-L663 PolarHBondContact O-N 3.01Å; L663-N665 PolarHBondContact O-N 3.05Å; L663-S666 PolarHBondContact O-N 2.72Å; L663-S666 VanDerWaalsContact O-N 3.13Å; L663-V668 HydrophobicContact CB-CB 4.42Å; L663-V668 WeakPolarHBondContact CB-O 2.99Å; L663-V668 PolarHBondContact N-O 2.92Å; L663-T670 HydrophobicContact CB-CG2 4.31Å; L663-T670 HydrophobicContact CD1-CG2 4.08Å
664	P	79.7	Confident	77.8	Confident	107 Å²	107	69.7 Å²	69.7	70%	0.695	42%	0.415	S	S	*	.	T	Hydrogen-bonded Turn	trans	-53.5	130.5	-179.4	-26.9	34.2	0	0	0	112.3	S666	P664-S666 PolarHBondContact O-N 3.12Å
665	N	76.4	Confident	77.9	Confident	180 Å²	180	66.9 Å²	66.9	96%	0.963	39%	0.389	S	S	*	.	T	Hydrogen-bonded Turn	trans	59.3	25.7	179.9	-54.7	-35.8	0	0	0	115.3	L663	L663-N665 PolarHBondContact O-N 3.05Å
666	S	81.8	Confident	77.9	Confident	47 Å²	47	67.5 Å²	67.5	33%	0.329	39%	0.39	S	S	.	.	S	Bend	trans	-136.9	156.8	176.2	-179.7	0	0	0	0	111.4	L663 P664 V668	L663-S666 PolarHBondContact O-N 2.72Å; L663-S666 VanDerWaalsContact O-N 3.13Å; P664-S666 PolarHBondContact O-N 3.12Å; S666-V668 WeakPolarHBondContact OG-CB 3.25Å; S666-V668 WeakPolarHBondContact OG-CG2 2.99Å; S666-V668 PolarHBondContact OG-N 3.23Å; S666-V668 VanDerWaalsContact OG-N 3.13Å
667	R	84.6	Confident	77.9	Confident	221 Å²	221	72.6 Å²	72.6	83%	0.834	43%	0.426	S	S	*	.	S	Bend	trans	-81.3	-0.6	169.9	-63.8	-177.3	179.6	-177.1	-1.1	112.6
668	V	91.9	Very high	78.5	Confident	6 Å²	6	69.2 Å²	69.2	4%	0.036	40%	0.398	C	S	.	.			trans	-78.7	131.5	179	179	0	0	0	0	110.4	L663 S666 R688 L690	L663-V668 HydrophobicContact CB-CB 4.42Å; L663-V668 WeakPolarHBondContact CB-O 2.99Å; L663-V668 PolarHBondContact N-O 2.92Å; S666-V668 WeakPolarHBondContact OG-CB 3.25Å; S666-V668 WeakPolarHBondContact OG-CG2 2.99Å; S666-V668 PolarHBondContact OG-N 3.23Å; S666-V668 VanDerWaalsContact OG-N 3.13Å; V668-R688 HydrophobicContact CG1-CB 3.71Å; V668-R688 HydrophobicContact CG1-CG 4.27Å; V668-L690 HydrophobicContact CB-CD2 4.14Å; V668-L690 HydrophobicContact CG2-CD1 4.44Å; V668-L690 HydrophobicContact CG2-CD2 3.4Å; V668-L690 VanDerWaalsContact CG2-CD2 3.4Å; V668-L690 HydrophobicContact CG2-CG 4.07Å
669	L	92.5	Very high	79	Confident	14 Å²	14	72.9 Å²	72.9	7%	0.073	42%	0.417	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.1	144.6	167.5	-53.8	179.2	0	0	0	110.7	F660 L661 P662 R688 L689 A725 L726	F660-L669 HydrophobicContact CB-CB 4.39Å; F660-L669 HydrophobicContact CB-CD1 4.12Å; L661-L669 CarbonylContact O-C 3.59Å; L661-L669 WeakPolarHBondContact O-CA 3.47Å; P662-L669 HydrophobicContact CB-CD2 4.08Å; L669-R688 CarbonylContact O-C 3.28Å; L669-R688 WeakPolarHBondContact O-CA 3.18Å; L669-L689 HydrophobicContact CB-CB 4.19Å; L669-L689 HydrophobicContact CD1-CD2 4.26Å; L669-L689 PolarHBondContact N-O 3.26Å; L669-L689 PolarHBondContact O-N 3.5Å; L669-A725 HydrophobicContact CD1-CB 3.73Å; L669-A725 VanDerWaalsContact CD1-O 3.29Å; L669-A725 WeakPolarHBondContact CD1-O 3.24Å; L669-L726 HydrophobicContact CD1-CD2 3.49Å; L669-L726 VanDerWaalsContact CD1-CD2 3.49Å; L669-L726 HydrophobicContact CD1-CG 3.68Å; L669-L726 HydrophobicContact CG-CD2 3.79Å
670	T	91.8	Very high	79.4	Confident	24 Å²	24	74.5 Å²	74.5	15%	0.147	43%	0.428	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.6	161.7	178.3	59.5	0	0	0	0	110.8	F660 L661 L663	F660-T670 CarbonylContact C-O 3.57Å; F660-T670 WeakPolarHBondContact CA-O 3.26Å; L661-T670 PolarHBondContact N-O 3.11Å; L661-T670 PolarHBondContact O-N 2.88Å; L661-T670 PolarHBondContact O-OG1 3.37Å; L663-T670 HydrophobicContact CB-CG2 4.31Å; L663-T670 HydrophobicContact CD1-CG2 4.08Å
671	W	87.4	Confident	79.7	Confident	18 Å²	18	75.6 Å²	75.6	7%	0.068	43%	0.432	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.2	128.3	173.6	-166.9	-85.4	0	0	0	111.7	F646 P659 F660 A673 T675 F678 L684 L687 F716	F646-W671 HydrophobicContact CE2-CH2 4.13Å; F646-W671 AromaticContact CZ-CH2 3.79Å; F646-W671 HydrophobicContact CZ-CH2 3.79Å; P659-W671 HydrophobicContact CB-CD2 3.78Å; P659-W671 HydrophobicContact CB-CE3 3.82Å; P659-W671 HydrophobicContact CB-CH2 3.61Å; P659-W671 HydrophobicContact CB-CZ2 3.51Å; P659-W671 HydrophobicContact CB-CZ3 3.75Å; P659-W671 HydrophobicContact CG-CE3 4.27Å; P659-W671 HydrophobicContact CG-CH2 3.59Å; P659-W671 HydrophobicContact CG-CZ2 3.98Å; P659-W671 HydrophobicContact CG-CZ3 3.73Å; P659-W671 CarbonylContact O-C 3.55Å; P659-W671 WeakPolarHBondContact O-CA 3.48Å; F660-W671 HydrophobicContact CD1-CE3 4.37Å; F660-W671 AromaticContact CE1-CE3 3.94Å; F660-W671 HydrophobicContact CE1-CE3 3.94Å; F660-W671 AromaticContact CE1-CZ3 3.94Å; F660-W671 HydrophobicContact CE1-CZ3 3.94Å; F660-W671 HydrophobicContact CZ-CZ3 4.12Å; W671-A673 PolarHBondContact O-N 2.72Å; W671-T675 PolarHBondContact NE1-OG1 3.17Å; W671-F678 HydrophobicContact CZ2-CD2 4.27Å; W671-F678 HydrophobicContact CZ2-CE2 4.44Å; W671-L684 HydrophobicContact CB-CB 4.46Å; W671-L684 WeakPolarHBondContact CB-O 3.14Å; W671-L684 HydrophobicContact CD2-CB 4.04Å; W671-L684 HydrophobicContact CD2-CD1 4.44Å; W671-L684 HydrophobicContact CD2-CD2 4.35Å; W671-L684 HydrophobicContact CE3-CD2 4.38Å; W671-L684 HydrophobicContact CG-CB 3.83Å; W671-L684 HydrophobicContact CH2-CD1 4.44Å; W671-L684 HydrophobicContact CZ2-CD1 3.84Å; W671-L687 HydrophobicContact CB-CB 4.34Å; W671-L687 HydrophobicContact CE3-CD2 3.93Å; W671-F716 HydrophobicContact CZ3-CB 4.35Å
672	A	81.8	Confident	80.1	Confident	14 Å²	14	71.7 Å²	71.7	12%	0.116	41%	0.411	C	S	.	.			trans	-64.9	120	178.3	0	0	0	0	0	111.8	P659 L661 N674 T675	P659-A672 PolarHBondContact O-N 3.48Å; L661-A672 HydrophobicContact CD1-CB 3.58Å; L661-A672 HydrophobicContact CG-CB 3.96Å; A672-N674 PolarHBondContact O-N 3Å; A672-T675 HydrophobicContact CB-CG2 3.89Å; A672-T675 PolarHBondContact O-N 2.94Å; A672-T675 PolarHBondContact O-OG1 3.3Å
673	A	67.4	Low	80.4	Confident	78 Å²	78	68.6 Å²	68.6	65%	0.645	39%	0.391	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64.1	-20.7	-179.4	0	0	0	0	0	114.2	W671 T685	W671-A673 PolarHBondContact O-N 2.72Å; A673-T685 HydrophobicContact CB-CG2 4.31Å
674	N	63.5	Low	80.7	Confident	167 Å²	167	65.7 Å²	65.7	89%	0.893	38%	0.376	S	S	*	.	T	Hydrogen-bonded Turn	trans	-90.8	7.7	-176.8	-67.4	-6.9	0	0	0	114.2	A672	A672-N674 PolarHBondContact O-N 3Å
675	T	61.4	Low	81.3	Confident	28 Å²	28	63.1 Å²	63.1	17%	0.172	36%	0.358	C	S	.	.	S	Bend	trans	-86.3	156.6	176.8	55.4	0	0	0	0	111	P659 W671 A672 S677	P659-T675 HydrophobicContact CB-CG2 4.13Å; W671-T675 PolarHBondContact NE1-OG1 3.17Å; A672-T675 HydrophobicContact CB-CG2 3.89Å; A672-T675 PolarHBondContact O-N 2.94Å; A672-T675 PolarHBondContact O-OG1 3.3Å; T675-S677 PolarHBondContact O-N 3.49Å; T675-S677 VanDerWaalsContact O-N 3.11Å
676	T	58.4	Low	82.1	Confident	96 Å²	96	54.6 Å²	54.6	59%	0.589	31%	0.313	S	S	*	.			trans	-48	120.4	175.6	34	0	0	0	0	110.5	F678	T676-F678 WeakPolarHBondContact O-CD2 3.18Å; T676-F678 PolarHBondContact O-N 2.93Å
677	S	61.8	Low	82.8	Confident	117 Å²	117	52.3 Å²	52.3	82%	0.818	30%	0.297	S	S	*	.			trans	-68.4	105.4	-174.7	63.2	0	0	0	0	110.5	T675	T675-S677 PolarHBondContact O-N 3.49Å; T675-S677 VanDerWaalsContact O-N 3.11Å
678	F	75.7	Confident	83.3	Confident	37 Å²	37	44.6 Å²	44.6	16%	0.162	27%	0.268	C	S	.	.			trans	-77.6	129.3	166.8	-62.5	-78.8	0	0	0	108.8	F646 P648 L656 W671 T676 S680 L684 F716	F646-F678 HydrophobicContact CD2-CD2 4.46Å; F646-F678 HydrophobicContact CD2-CE1 4.33Å; F646-F678 HydrophobicContact CD2-CE2 4.25Å; F646-F678 HydrophobicContact CD2-CZ 4.18Å; F646-F678 HydrophobicContact CE2-CD2 4.16Å; F646-F678 AromaticContact CE2-CE2 3.73Å; F646-F678 HydrophobicContact CE2-CE2 3.73Å; F646-F678 AromaticContact CE2-CZ 3.94Å; F646-F678 HydrophobicContact CE2-CZ 3.94Å; P648-F678 HydrophobicContact CG-CE1 3.68Å; P648-F678 HydrophobicContact CG-CZ 4.07Å; L656-F678 HydrophobicContact CD2-CE2 4.1Å; L656-F678 HydrophobicContact CD2-CZ 3.89Å; W671-F678 HydrophobicContact CZ2-CD2 4.27Å; W671-F678 HydrophobicContact CZ2-CE2 4.44Å; T676-F678 WeakPolarHBondContact O-CD2 3.18Å; T676-F678 PolarHBondContact O-N 2.93Å; F678-S680 PolarHBondContact O-N 3.37Å; F678-S680 VanDerWaalsContact O-N 3.15Å; F678-L684 HydrophobicContact CB-CD1 3.81Å; F678-L684 HydrophobicContact CD2-CD1 4.09Å; F678-L684 HydrophobicContact CG-CD1 4.43Å; F678-F716 HydrophobicContact CB-CE1 3.94Å; F678-F716 HydrophobicContact CB-CZ 4.38Å; F678-F716 HydrophobicContact CG-CE1 4.3Å
679	P	78.5	Confident	83.6	Confident	105 Å²	105	44.3 Å²	44.3	68%	0.682	27%	0.266	S	S	*	.			trans	-63.4	120.1	175.7	26.4	-32.2	0	0	0	109	R715	P679-R715 PolarHBondContact O-NH2 2.69Å
680	S	88.6	Confident	83.7	Confident	33 Å²	33	44.2 Å²	44.2	23%	0.231	27%	0.266	C	S	.	.			trans	-154.1	141	179.2	-175.9	0	0	0	0	109	F678 P682	F678-S680 PolarHBondContact O-N 3.37Å; F678-S680 VanDerWaalsContact O-N 3.15Å; S680-P682 CarbonylContact C-O 3.44Å; S680-P682 VanDerWaalsContact C-O 3.28Å; S680-P682 CarbonylContact O-C 3.46Å; S680-P682 PolarHBondContact OG-O 3.32Å
681	W	92.9	Very high	83.9	Confident	42 Å²	42	45.5 Å²	45.5	16%	0.159	27%	0.273	C	S	.	.	S	Bend	trans	-129.7	124.8	163.8	-173.3	91.5	0	0	0	109	A632 Y633 N636 Q637 L785 C789	A632-W681 HydrophobicContact CB-CZ2 4.22Å; Y633-W681 AromaticContact CD1-CH2 3.6Å; Y633-W681 HydrophobicContact CD1-CH2 3.6Å; Y633-W681 HydrophobicContact CD1-CZ3 4.17Å; Y633-W681 AromaticContact CE1-CH2 3.85Å; Y633-W681 HydrophobicContact CE1-CH2 3.85Å; Y633-W681 HydrophobicContact CE1-CZ3 4.46Å; N636-W681 HydrophobicContact CB-CB 3.95Å; N636-W681 HydrophobicContact CB-CD2 3.41Å; N636-W681 VanDerWaalsContact CB-CD2 3.41Å; N636-W681 VanDerWaalsContact CB-CE2 3.5Å; N636-W681 HydrophobicContact CB-CE3 4.18Å; N636-W681 HydrophobicContact CB-CG 3.3Å; N636-W681 HydrophobicContact CB-CZ2 4.3Å; Q637-W681 HydrophobicContact CG-CE3 3.68Å; Q637-W681 HydrophobicContact CG-CH2 4.03Å; Q637-W681 HydrophobicContact CG-CZ3 3.22Å; W681-L785 HydrophobicContact CH2-CD2 4.39Å; W681-L785 HydrophobicContact CZ2-CD2 4.06Å; W681-C789 HydrophobicContact CZ2-CB 4.32Å; W681-C789 PolarHBondContact NE1-O 2.87Å; W681-C789 VanDerWaalsContact NE1-O 3.07Å
682	P	95.2	Very high	84.4	Confident	2 Å²	2	44.7 Å²	44.7	1%	0.013	27%	0.271	C	S	.	.	S	Bend	cis	-55.4	156.1	-4.8	-29.3	39.7	0	0	0	114.6	S680 E710	S680-P682 CarbonylContact C-O 3.44Å; S680-P682 VanDerWaalsContact C-O 3.28Å; S680-P682 CarbonylContact O-C 3.46Å; S680-P682 PolarHBondContact OG-O 3.32Å; P682-E710 HydrophobicContact CG-CG 4.03Å; P682-E710 WeakPolarHBondContact CG-OE2 3.39Å
683	P	93.3	Very high	85	Confident	32 Å²	32	48.4 Å²	48.4	21%	0.208	29%	0.291	C	S	.	.			trans	-63.3	146.1	178	27.8	-35.4	0	0	0	110.6	T685 A686 D788	P683-T685 PolarHBondContact O-N 3.25Å; P683-T685 VanDerWaalsContact O-N 3.12Å; P683-A686 HydrophobicContact CG-CB 4.46Å; P683-A686 VanDerWaalsContact O-CB 3.26Å; P683-A686 WeakPolarHBondContact O-CB 3.01Å; P683-A686 PolarHBondContact O-N 3.36Å; P683-D788 HydrophobicContact CG-CB 3.99Å
684	L	91	Very high	86.3	Confident	12 Å²	12	49.3 Å²	49.3	6%	0.063	28%	0.282	C	S	.	.	G	3₁₀ helix	trans	-59.6	-27.5	-178.7	-78.2	167.7	0	0	0	113.5	W671 F678 A686 L687 L713 F716	W671-L684 HydrophobicContact CB-CB 4.46Å; W671-L684 WeakPolarHBondContact CB-O 3.14Å; W671-L684 HydrophobicContact CD2-CB 4.04Å; W671-L684 HydrophobicContact CD2-CD1 4.44Å; W671-L684 HydrophobicContact CD2-CD2 4.35Å; W671-L684 HydrophobicContact CE3-CD2 4.38Å; W671-L684 HydrophobicContact CG-CB 3.83Å; W671-L684 HydrophobicContact CH2-CD1 4.44Å; W671-L684 HydrophobicContact CZ2-CD1 3.84Å; F678-L684 HydrophobicContact CB-CD1 3.81Å; F678-L684 HydrophobicContact CD2-CD1 4.09Å; F678-L684 HydrophobicContact CG-CD1 4.43Å; L684-A686 PolarHBondContact O-N 3.19Å; L684-A686 VanDerWaalsContact O-N 3.14Å; L684-L687 WeakPolarHBondContact O-CB 3.37Å; L684-L687 PolarHBondContact O-N 3.06Å; L684-L713 HydrophobicContact CD2-CD2 3.81Å; L684-F716 HydrophobicContact CD1-CD1 4.1Å; L684-F716 HydrophobicContact CD1-CE1 3.76Å; L684-F716 HydrophobicContact CD1-CZ 3.98Å; L684-F716 HydrophobicContact CD2-CB 4Å; L684-F716 HydrophobicContact CD2-CD1 3.79Å; L684-F716 HydrophobicContact CD2-CD2 3.46Å; L684-F716 VanDerWaalsContact CD2-CD2 3.46Å; L684-F716 HydrophobicContact CD2-CE1 3.98Å; L684-F716 HydrophobicContact CD2-CE2 3.65Å; L684-F716 HydrophobicContact CD2-CG 3.47Å; L684-F716 VanDerWaalsContact CD2-CG 3.47Å; L684-F716 HydrophobicContact CD2-CZ 3.86Å; L684-F716 HydrophobicContact CG-CE1 4.33Å; L684-F716 HydrophobicContact CG-CE2 4.32Å; L684-F716 HydrophobicContact CG-CZ 4.15Å
685	T	91	Very high	87.8	Confident	53 Å²	53	43 Å²	43	33%	0.325	26%	0.257	S	S	.	.	G	3₁₀ helix	trans	-60.1	-20.7	174.3	51.9	0	0	0	0	113.4	A673 P683 L687 R688	A673-T685 HydrophobicContact CB-CG2 4.31Å; P683-T685 PolarHBondContact O-N 3.25Å; P683-T685 VanDerWaalsContact O-N 3.12Å; T685-L687 VanDerWaalsContact C-N 3.31Å; T685-R688 PolarHBondContact O-NH1 3.18Å
686	A	94.1	Very high	89.4	Confident	0 Å²	0	43.5 Å²	43.5	0%	0	26%	0.257	C	S	.	.	G	3₁₀ helix	trans	-77	-15.8	173.7	0	0	0	0	0	113.1	P683 L684 R688 R776 C786	P683-A686 HydrophobicContact CG-CB 4.46Å; P683-A686 VanDerWaalsContact O-CB 3.26Å; P683-A686 WeakPolarHBondContact O-CB 3.01Å; P683-A686 PolarHBondContact O-N 3.36Å; L684-A686 PolarHBondContact O-N 3.19Å; L684-A686 VanDerWaalsContact O-N 3.14Å; A686-R688 PolarHBondContact O-N 3.18Å; A686-R776 HydrophobicContact CB-CB 4.24Å; A686-R776 WeakPolarHBondContact O-CA 3.19Å; A686-C786 HydrophobicContact CB-CB 4.06Å
687	L	95.4	Very high	91.3	Very high	0 Å²	0	39.6 Å²	39.6	0%	0	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-60.2	128.5	-178.8	-178.7	62.4	0	0	0	111.2	F660 W671 L684 T685 L689 L713 I717 P774	F660-L687 HydrophobicContact CE1-CD2 3.93Å; W671-L687 HydrophobicContact CB-CB 4.34Å; W671-L687 HydrophobicContact CE3-CD2 3.93Å; L684-L687 WeakPolarHBondContact O-CB 3.37Å; L684-L687 PolarHBondContact O-N 3.06Å; T685-L687 VanDerWaalsContact C-N 3.31Å; L687-L689 HydrophobicContact CD1-CB 4.49Å; L687-L689 HydrophobicContact CG-CB 4.38Å; L687-L713 HydrophobicContact CB-CD1 4.03Å; L687-L713 HydrophobicContact CD1-CB 4.09Å; L687-L713 HydrophobicContact CD1-CD1 3.97Å; L687-I717 HydrophobicContact CD1-CG2 4.42Å; L687-I717 HydrophobicContact CD2-CG2 3.93Å; L687-P774 HydrophobicContact CD1-CB 3.71Å
688	R	96.1	Very high	93.1	Very high	59 Å²	59	34 Å²	34	22%	0.223	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.5	94.2	169	-60.6	-59.2	175.8	-92.5	-4.9	106.5	V668 L669 T685 A686 L707 C775	V668-R688 HydrophobicContact CG1-CB 3.71Å; V668-R688 HydrophobicContact CG1-CG 4.27Å; L669-R688 CarbonylContact O-C 3.28Å; L669-R688 WeakPolarHBondContact O-CA 3.18Å; T685-R688 PolarHBondContact O-NH1 3.18Å; A686-R688 PolarHBondContact O-N 3.18Å; R688-L707 HydrophobicContact CB-CD1 3.63Å; R688-L707 HydrophobicContact CG-CD1 3.96Å; R688-L707 HydrophobicContact CG-CD2 4.3Å; R688-C775 HydrophobicContact CB-CB 4.09Å; R688-C775 PolarHBondContact N-O 3.19Å; R688-C775 WeakPolarHBondContact O-CA 3.15Å; R688-C775 WeakPolarHBondContact O-CB 2.98Å; R688-C775 PolarHBondContact O-N 3.29Å
689	L	97.1	Very high	94.1	Very high	0 Å²	0	34.3 Å²	34.3	0%	0	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.6	129.4	-177.6	171.9	61.6	0	0	0	109.8	F660 L669 L687 I717 A722 L726 L772	F660-L689 HydrophobicContact CD1-CD2 3.91Å; F660-L689 HydrophobicContact CE1-CD2 3.69Å; F660-L689 HydrophobicContact CG-CD2 4.46Å; F660-L689 HydrophobicContact CZ-CD2 4.04Å; L669-L689 HydrophobicContact CB-CB 4.19Å; L669-L689 HydrophobicContact CD1-CD2 4.26Å; L669-L689 PolarHBondContact N-O 3.26Å; L669-L689 PolarHBondContact O-N 3.5Å; L687-L689 HydrophobicContact CD1-CB 4.49Å; L687-L689 HydrophobicContact CG-CB 4.38Å; L689-I717 HydrophobicContact CD1-CB 4.25Å; L689-I717 HydrophobicContact CD1-CD1 3.95Å; L689-I717 HydrophobicContact CD1-CG2 3.99Å; L689-I717 HydrophobicContact CD2-CG2 4.1Å; L689-I717 HydrophobicContact CG-CG2 4.49Å; L689-A722 HydrophobicContact CD2-CB 4.32Å; L689-L726 HydrophobicContact CD1-CD1 4.01Å; L689-L726 HydrophobicContact CD2-CD1 3.9Å; L689-L726 HydrophobicContact CD2-CG 4.28Å; L689-L726 HydrophobicContact CG-CD1 3.8Å; L689-L726 HydrophobicContact CG-CD2 4.32Å; L689-L726 HydrophobicContact CG-CG 4.32Å; L689-L772 HydrophobicContact CD1-CB 4.37Å; L689-L772 HydrophobicContact CD1-CG 4.45Å
690	L	95.7	Very high	95	Very high	12 Å²	12	33.6 Å²	33.6	6%	0.063	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.8	161.6	-179	-76.3	175.1	0	0	0	111.2	V668 E705 L707 C773	V668-L690 HydrophobicContact CB-CD2 4.14Å; V668-L690 HydrophobicContact CG2-CD1 4.44Å; V668-L690 HydrophobicContact CG2-CD2 3.4Å; V668-L690 VanDerWaalsContact CG2-CD2 3.4Å; V668-L690 HydrophobicContact CG2-CG 4.07Å; L690-E705 HydrophobicContact CD1-CB 4.12Å; L690-E705 HydrophobicContact CD1-CG 3.68Å; L690-E705 HydrophobicContact CD2-CG 4.49Å; L690-L707 HydrophobicContact CD1-CD1 4.43Å; L690-C773 HydrophobicContact CB-CB 4.45Å; L690-C773 PolarHBondContact N-O 3.49Å; L690-C773 PolarHBondContact O-N 2.88Å
691	T	96	Very high	95.4	Very high	50 Å²	50	32.2 Å²	32.2	31%	0.307	18%	0.177	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.1	128.8	163.7	52.2	0	0	0	0	109.9	L726 L728 R771 L772	T691-L726 HydrophobicContact CG2-CB 3.88Å; T691-L726 HydrophobicContact CG2-CD1 3.6Å; T691-L726 HydrophobicContact CG2-CD2 4.09Å; T691-L726 HydrophobicContact CG2-CG 4.06Å; T691-L728 HydrophobicContact CG2-CD1 3.8Å; T691-R771 CarbonylContact C-O 3.54Å; T691-R771 WeakPolarHBondContact CA-O 3.13Å; T691-L772 HydrophobicContact CG2-CD1 4.48Å
692	S	96.6	Very high	95.6	Very high	2 Å²	2	30.2 Å²	30.2	1%	0.014	17%	0.169	C	C	.	.	P	Polyproline II helix	trans	-72	156.5	168.3	79.7	0	0	0	0	111.3	Q696 Q770 R771	S692-Q696 WeakPolarHBondContact CB-O 3.14Å; S692-Q696 PolarHBondContact OG-O 2.91Å; S692-Q696 VanDerWaalsContact OG-O 3.09Å; S692-Q770 WeakPolarHBondContact O-CB 3.48Å; S692-R771 PolarHBondContact N-O 3.17Å; S692-R771 WeakPolarHBondContact OG-CB 3.13Å; S692-R771 PolarHBondContact OG-N 3.19Å
693	V	95.1	Very high	95.6	Very high	91 Å²	91	34 Å²	34	55%	0.552	19%	0.187	S	C	*	.	P	Polyproline II helix	trans	-75.7	160.8	164.1	-55.9	0	0	0	0	110.6	G695 Q696	V693-G695 PolarHBondContact O-N 2.02Å; V693-Q696 HydrophobicContact CG2-CB 3.58Å; V693-Q696 HydrophobicContact CG2-CG 4.35Å; V693-Q696 VanDerWaalsContact N-OE1 3.17Å; V693-Q696 VanDerWaalsContact O-CB 3.3Å; V693-Q696 WeakPolarHBondContact O-CB 3.22Å; V693-Q696 PolarHBondContact O-N 3.48Å
694	Q	95.3	Very high	95.7	Very high	98 Å²	98	36.3 Å²	36.3	46%	0.458	20%	0.204	S	C	.	.	T	Hydrogen-bonded Turn	trans	-56.8	133.5	173.8	-76.5	178.2	-22.6	0	0	111	Q696 P767 K768 Q770	Q694-Q696 VanDerWaalsContact C-N 3.26Å; Q694-Q696 PolarHBondContact O-N 3.39Å; Q694-P767 WeakPolarHBondContact CB-O 3.37Å; Q694-K768 PolarHBondContact NE2-O 3.28Å; Q694-Q770 HydrophobicContact CG-CG 3.95Å
695	G	93.9	Very high	95.9	Very high	34 Å²	34	40.9 Å²	40.9	35%	0.351	23%	0.225	S	C	.	.	T	Hydrogen-bonded Turn	trans	80.6	-1.7	-176.8	0	0	0	0	0	115.1	V693 S765 S766	V693-G695 PolarHBondContact O-N 2.02Å; G695-S765 WeakPolarHBondContact O-CB 3.45Å; G695-S765 PolarHBondContact O-OG 3.38Å; G695-S766 WeakPolarHBondContact CA-O 3.48Å; G695-S766 PolarHBondContact N-O 3.12Å
696	Q	96.3	Very high	96	Very high	39 Å²	39	40.6 Å²	40.6	18%	0.182	23%	0.232	C	C	.	.			trans	-102.8	137.2	177.3	-169.7	-173	34.4	0	0	111.4	S692 V693 Q694 E700 A701	S692-Q696 WeakPolarHBondContact CB-O 3.14Å; S692-Q696 PolarHBondContact OG-O 2.91Å; S692-Q696 VanDerWaalsContact OG-O 3.09Å; V693-Q696 HydrophobicContact CG2-CB 3.58Å; V693-Q696 HydrophobicContact CG2-CG 4.35Å; V693-Q696 VanDerWaalsContact N-OE1 3.17Å; V693-Q696 VanDerWaalsContact O-CB 3.3Å; V693-Q696 WeakPolarHBondContact O-CB 3.22Å; V693-Q696 PolarHBondContact O-N 3.48Å; Q694-Q696 VanDerWaalsContact C-N 3.26Å; Q694-Q696 PolarHBondContact O-N 3.39Å; Q696-E700 HydrophobicContact CG-CB 3.62Å; Q696-A701 HydrophobicContact CG-CB 4.5Å
697	S	97.9	Very high	96.2	Very high	13 Å²	13	42 Å²	42	9%	0.091	24%	0.239	C	C	.	.			trans	-79.3	164.8	174.2	63.8	0	0	0	0	112.3	V699 E700 A701 G764	S697-V699 VanDerWaalsContact C-N 3.26Å; S697-V699 PolarHBondContact O-N 3.4Å; S697-E700 PolarHBondContact N-OE2 3.24Å; S697-E700 PolarHBondContact O-N 2.88Å; S697-E700 WeakPolarHBondContact OG-CG 3.29Å; S697-E700 PolarHBondContact OG-N 3.05Å; S697-E700 PolarHBondContact OG-OE2 3.48Å; S697-A701 WeakPolarHBondContact O-CB 3.41Å; S697-A701 PolarHBondContact O-N 3.09Å; S697-G764 WeakPolarHBondContact CA-O 3.48Å; S697-G764 VanDerWaalsContact CB-O 3.31Å; S697-G764 WeakPolarHBondContact CB-O 3.32Å
698	C	98.5	Very high	96.3	Very high	0 Å²	0	42.9 Å²	42.9	0%	0	24%	0.244	C	C	.	.	H	α-helix	trans	-69.5	-26.2	172.8	-70.3	0	0	0	0	112.9	C702 C762 C773	C698-C702 WeakPolarHBondContact O-CB 3.34Å; C698-C702 PolarHBondContact O-N 3.28Å; C698-C702 PolarHBondContact O-SG 2.79Å; C698-C762 PolarHBondContact N-O 3.05Å; C698-C773 WeakPolarHBondContact CA-SG 3.18Å; C698-C773 HydrophobicContact CB-CB 3.59Å; C698-C773 WeakPolarHBondContact CB-SG 3.35Å; C698-C773 WeakPolarHBondContact SG-CA 3.35Å; C698-C773 WeakPolarHBondContact SG-CB 3.29Å; C698-C773 CovalentContact SG-SG 2.05Å; C698-C773 PolarHBondContact SG-SG 3.39Å
699	V	97.8	Very high	96.4	Very high	43 Å²	43	40.2 Å²	40.2	26%	0.261	24%	0.235	S	C	.	.	H	α-helix	trans	-56.7	-55.4	169.9	-175.8	0	0	0	0	110.3	P430 S697 Q703 C762	P430-V699 HydrophobicContact CG-CB 4.48Å; P430-V699 HydrophobicContact CG-CG1 4.28Å; P430-V699 HydrophobicContact CG-CG2 3.67Å; S697-V699 VanDerWaalsContact C-N 3.26Å; S697-V699 PolarHBondContact O-N 3.4Å; V699-Q703 VanDerWaalsContact O-CB 3.23Å; V699-Q703 WeakPolarHBondContact O-CB 3.25Å; V699-Q703 PolarHBondContact O-N 3.34Å; V699-C762 HydrophobicContact CG2-CB 3.92Å; V699-C762 PolarHBondContact N-O 3.02Å
700	E	97	Very high	96.4	Very high	91 Å²	91	40.5 Å²	40.5	43%	0.425	24%	0.236	S	C	.	.	H	α-helix	trans	-67	-39.8	-177.6	-68.3	159.5	147.3	0	0	112	Q696 S697 Q703 S704	Q696-E700 HydrophobicContact CG-CB 3.62Å; S697-E700 PolarHBondContact N-OE2 3.24Å; S697-E700 PolarHBondContact O-N 2.88Å; S697-E700 WeakPolarHBondContact OG-CG 3.29Å; S697-E700 PolarHBondContact OG-N 3.05Å; S697-E700 PolarHBondContact OG-OE2 3.48Å; E700-Q703 PolarHBondContact O-N 3.25Å; E700-S704 WeakPolarHBondContact O-CB 3.39Å; E700-S704 PolarHBondContact O-N 2.83Å; E700-S704 PolarHBondContact O-OG 3.35Å
701	A	97.4	Very high	96.5	Very high	3 Å²	3	40.5 Å²	40.5	3%	0.025	24%	0.237	C	C	.	.	H	α-helix	trans	-62.3	-49.5	179.2	0	0	0	0	0	111.4	Q696 S697 S704	Q696-A701 HydrophobicContact CG-CB 4.5Å; S697-A701 WeakPolarHBondContact O-CB 3.41Å; S697-A701 PolarHBondContact O-N 3.09Å; A701-S704 PolarHBondContact O-N 3.45Å; A701-S704 PolarHBondContact O-OG 2.8Å
702	C	97.6	Very high	96.4	Very high	0 Å²	0	39 Å²	39	0%	0	23%	0.229	C	C	.	.	H	α-helix	trans	-63.6	-44	176.9	-61.2	0	0	0	0	111.8	C698 S704 E705 G706 L707 C709 C775	C698-C702 WeakPolarHBondContact O-CB 3.34Å; C698-C702 PolarHBondContact O-N 3.28Å; C698-C702 PolarHBondContact O-SG 2.79Å; C702-S704 VanDerWaalsContact C-N 3.3Å; C702-S704 PolarHBondContact O-N 3.35Å; C702-E705 PolarHBondContact O-N 2.81Å; C702-E705 VanDerWaalsContact O-N 3.12Å; C702-G706 PolarHBondContact O-N 2.79Å; C702-L707 CarbonylContact C-O 3.4Å; C702-L707 VanDerWaalsContact C-O 3.27Å; C702-L707 HydrophobicContact CB-CB 4.25Å; C702-L707 CarbonylContact O-C 3.53Å; C702-L707 WeakPolarHBondContact O-CA 3.07Å; C702-L707 WeakPolarHBondContact O-CB 3.28Å; C702-L707 PolarHBondContact O-N 3.45Å; C702-C709 HydrophobicContact CB-CB 4.37Å; C702-C709 WeakPolarHBondContact SG-CA 3.23Å; C702-C775 WeakPolarHBondContact CA-SG 3.45Å; C702-C775 HydrophobicContact CB-CB 3.73Å; C702-C775 WeakPolarHBondContact CB-SG 3.49Å; C702-C775 VanDerWaalsContact SG-CA 3.58Å; C702-C775 WeakPolarHBondContact SG-CB 3.26Å; C702-C775 CovalentContact SG-SG 2.02Å; C702-C775 PolarHBondContact SG-SG 2.85Å
703	Q	95.3	Very high	96.4	Very high	83 Å²	83	38.9 Å²	38.9	39%	0.388	23%	0.229	S	C	.	.	H	α-helix	trans	-62.1	-37	-179.1	-171.2	-175.2	5.3	0	0	112.2	E583 V699 E700 E705 G706 L707	E583-Q703 PolarHBondContact OE1-NE2 3.15Å; E583-Q703 PolarHBondContact OE2-NE2 2.96Å; V699-Q703 VanDerWaalsContact O-CB 3.23Å; V699-Q703 WeakPolarHBondContact O-CB 3.25Å; V699-Q703 PolarHBondContact O-N 3.34Å; E700-Q703 PolarHBondContact O-N 3.25Å; Q703-E705 PolarHBondContact O-N 2.76Å; Q703-G706 PolarHBondContact O-N 2.9Å; Q703-L707 WeakPolarHBondContact CA-O 3.43Å; Q703-L707 PolarHBondContact N-O 2.96Å
704	S	95.1	Very high	96.4	Very high	80 Å²	80	34.6 Å²	34.6	56%	0.559	20%	0.202	S	C	*	.	H	α-helix	trans	-63	-23.7	177.5	70.4	0	0	0	0	113.9	E700 A701 C702	E700-S704 WeakPolarHBondContact O-CB 3.39Å; E700-S704 PolarHBondContact O-N 2.83Å; E700-S704 PolarHBondContact O-OG 3.35Å; A701-S704 PolarHBondContact O-N 3.45Å; A701-S704 PolarHBondContact O-OG 2.8Å; C702-S704 VanDerWaalsContact C-N 3.3Å; C702-S704 PolarHBondContact O-N 3.35Å
705	E	94.8	Very high	96.2	Very high	108 Å²	108	32.3 Å²	32.3	51%	0.505	19%	0.189	S	C	.	.	T	Hydrogen-bonded Turn	trans	-98.2	9.8	175.6	-64.5	-64.4	150.6	0	0	112.6	L690 C702 Q703 L707	L690-E705 HydrophobicContact CD1-CB 4.12Å; L690-E705 HydrophobicContact CD1-CG 3.68Å; L690-E705 HydrophobicContact CD2-CG 4.49Å; C702-E705 PolarHBondContact O-N 2.81Å; C702-E705 VanDerWaalsContact O-N 3.12Å; Q703-E705 PolarHBondContact O-N 2.76Å; E705-L707 VanDerWaalsContact C-N 3.31Å; E705-L707 HydrophobicContact CB-CD1 4.13Å; E705-L707 HydrophobicContact CB-CG 4.3Å; E705-L707 PolarHBondContact O-N 3.25Å
706	G	94	Very high	96.2	Very high	46 Å²	46	30.7 Å²	30.7	47%	0.474	17%	0.173	S	C	.	.	T	Hydrogen-bonded Turn	trans	68.5	28.7	-177.2	0	0	0	0	0	113.6	C702 Q703 Y778	C702-G706 PolarHBondContact O-N 2.79Å; Q703-G706 PolarHBondContact O-N 2.9Å; G706-Y778 WeakPolarHBondContact O-CE1 3.39Å
707	L	96.4	Very high	96	Very high	29 Å²	29	28.8 Å²	28.8	15%	0.152	16%	0.164	C	C	.	.			trans	-118.1	174.1	179.7	-58.1	172.3	0	0	0	110.5	R688 L690 C702 Q703 E705 C775 R776 D777	R688-L707 HydrophobicContact CB-CD1 3.63Å; R688-L707 HydrophobicContact CG-CD1 3.96Å; R688-L707 HydrophobicContact CG-CD2 4.3Å; L690-L707 HydrophobicContact CD1-CD1 4.43Å; C702-L707 CarbonylContact C-O 3.4Å; C702-L707 VanDerWaalsContact C-O 3.27Å; C702-L707 HydrophobicContact CB-CB 4.25Å; C702-L707 CarbonylContact O-C 3.53Å; C702-L707 WeakPolarHBondContact O-CA 3.07Å; C702-L707 WeakPolarHBondContact O-CB 3.28Å; C702-L707 PolarHBondContact O-N 3.45Å; Q703-L707 WeakPolarHBondContact CA-O 3.43Å; Q703-L707 PolarHBondContact N-O 2.96Å; E705-L707 VanDerWaalsContact C-N 3.31Å; E705-L707 HydrophobicContact CB-CD1 4.13Å; E705-L707 HydrophobicContact CB-CG 4.3Å; E705-L707 PolarHBondContact O-N 3.25Å; L707-C775 HydrophobicContact CB-CB 3.89Å; L707-C775 HydrophobicContact CD1-CB 3.82Å; L707-R776 WeakPolarHBondContact CB-O 3.29Å; L707-D777 HydrophobicContact CD2-CB 4.37Å
708	I	97.7	Very high	95.9	Very high	20 Å²	20	29.5 Å²	29.5	10%	0.103	17%	0.167	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.7	143.4	171	-170.7	165.8	0	0	0	110	P430 C775 R776 Y778 V783	P430-I708 HydrophobicContact CB-CD1 4.25Å; P430-I708 HydrophobicContact CB-CG1 3.97Å; I708-C775 CarbonylContact O-C 3.55Å; I708-C775 VanDerWaalsContact O-CA 3.27Å; I708-C775 WeakPolarHBondContact O-CA 2.99Å; I708-R776 HydrophobicContact CG2-CG 3.67Å; I708-R776 PolarHBondContact N-O 2.77Å; I708-R776 PolarHBondContact O-N 3.42Å; I708-Y778 HydrophobicContact CG2-CD1 4.35Å; I708-V783 HydrophobicContact CD1-CG2 3.71Å
709	C	98.5	Very high	95.6	Very high	3 Å²	3	30 Å²	30	2%	0.02	17%	0.169	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-66.7	138	173.6	-178.9	0	0	0	0	110.5	P430 C702 C762 P774	P430-C709 HydrophobicContact CB-CB 4.27Å; P430-C709 WeakPolarHBondContact CB-O 3.15Å; P430-C709 HydrophobicContact CG-CB 4.26Å; C702-C709 HydrophobicContact CB-CB 4.37Å; C702-C709 WeakPolarHBondContact SG-CA 3.23Å; C709-C762 HydrophobicContact CB-CB 3.64Å; C709-C762 WeakPolarHBondContact CB-SG 3.21Å; C709-C762 VanDerWaalsContact SG-CA 3.51Å; C709-C762 WeakPolarHBondContact SG-CB 3.5Å; C709-C762 CovalentContact SG-SG 2.03Å; C709-C762 PolarHBondContact SG-SG 2.95Å; C709-P774 WeakPolarHBondContact CA-O 3.38Å
710	E	98.1	Very high	95.3	Very high	6 Å²	6	32.2 Å²	32.2	3%	0.028	18%	0.175	C	C	.	.			trans	-121.2	98.6	-178.6	179	49.9	-114.2	0	0	110.5	Q420 P682 A712 L713 P774 R776	Q420-E710 PolarHBondContact NE2-OE1 3.02Å; P682-E710 HydrophobicContact CG-CG 4.03Å; P682-E710 WeakPolarHBondContact CG-OE2 3.39Å; E710-A712 VanDerWaalsContact C-N 3.28Å; E710-A712 PolarHBondContact O-N 3.29Å; E710-A712 VanDerWaalsContact OE1-CB 3.24Å; E710-A712 WeakPolarHBondContact OE1-CB 3.37Å; E710-A712 PolarHBondContact OE1-N 3.4Å; E710-A712 VanDerWaalsContact OE1-N 3.17Å; E710-L713 HydrophobicContact CB-CD1 4.04Å; E710-L713 HydrophobicContact CB-CG 4.35Å; E710-L713 HydrophobicContact CG-CB 4.25Å; E710-L713 HydrophobicContact CG-CD1 3.65Å; E710-L713 HydrophobicContact CG-CG 3.64Å; E710-L713 PolarHBondContact O-N 3.16Å; E710-P774 PolarHBondContact N-O 3.19Å; E710-P774 WeakPolarHBondContact O-CG 3.33Å; E710-R776 HydrophobicContact CB-CB 4.2Å; E710-R776 HydrophobicContact CB-CG 3.86Å; E710-R776 HydrophobicContact CG-CG 4.43Å; E710-R776 VanDerWaalsContact OE2-CD 3.28Å; E710-R776 WeakPolarHBondContact OE2-CD 3.33Å; E710-R776 IonicContact OE2-CZ 3.59Å; E710-R776 IonicContact OE2-NE 3.97Å; E710-R776 PolarHBondContact OE2-NE 3.46Å; E710-R776 IonicContact OE2-NH2 2.78Å
711	P	96.8	Very high	95	Very high	12 Å²	12	31.1 Å²	31.1	8%	0.078	17%	0.17	C	C	.	.	G	3₁₀ helix	trans	-64.8	-30.7	-172.5	27.7	-37.2	0	0	0	113.2	Q420 P430 L713 H714	Q420-P711 HydrophobicContact CG-CG 3.83Å; P430-P711 WeakPolarHBondContact O-CD 3.23Å; P430-P711 WeakPolarHBondContact O-CG 3.23Å; P711-L713 PolarHBondContact O-N 3.3Å; P711-L713 VanDerWaalsContact O-N 3.1Å; P711-H714 VanDerWaalsContact CA-ND1 3.31Å; P711-H714 WeakPolarHBondContact CA-ND1 3.25Å; P711-H714 PolarHBondContact O-N 2.98Å; P711-H714 VanDerWaalsContact O-N 3.14Å; P711-H714 PolarHBondContact O-ND1 3.3Å
712	A	94.6	Very high	94.7	Very high	18 Å²	18	31 Å²	31	15%	0.149	17%	0.169	C	C	.	.	G	3₁₀ helix	trans	-62	-20.4	179.7	0	0	0	0	0	113.4	E710	E710-A712 VanDerWaalsContact C-N 3.28Å; E710-A712 PolarHBondContact O-N 3.29Å; E710-A712 VanDerWaalsContact OE1-CB 3.24Å; E710-A712 WeakPolarHBondContact OE1-CB 3.37Å; E710-A712 PolarHBondContact OE1-N 3.4Å; E710-A712 VanDerWaalsContact OE1-N 3.17Å
713	L	95.6	Very high	94.6	Very high	0 Å²	0	31 Å²	31	0%	0	17%	0.169	C	C	.	.	G	3₁₀ helix	trans	-92	-5.9	-178.1	-63.3	176.6	0	0	0	113.6	L684 L687 E710 P711 R715 F716 P774	L684-L713 HydrophobicContact CD2-CD2 3.81Å; L687-L713 HydrophobicContact CB-CD1 4.03Å; L687-L713 HydrophobicContact CD1-CB 4.09Å; L687-L713 HydrophobicContact CD1-CD1 3.97Å; E710-L713 HydrophobicContact CB-CD1 4.04Å; E710-L713 HydrophobicContact CB-CG 4.35Å; E710-L713 HydrophobicContact CG-CB 4.25Å; E710-L713 HydrophobicContact CG-CD1 3.65Å; E710-L713 HydrophobicContact CG-CG 3.64Å; E710-L713 PolarHBondContact O-N 3.16Å; P711-L713 PolarHBondContact O-N 3.3Å; P711-L713 VanDerWaalsContact O-N 3.1Å; L713-R715 VanDerWaalsContact C-N 3.27Å; L713-R715 PolarHBondContact O-N 3.02Å; L713-F716 HydrophobicContact CD2-CD2 4.1Å; L713-F716 HydrophobicContact CD2-CE2 4.21Å; L713-F716 PolarHBondContact O-N 2.04Å; L713-F716 VanDerWaalsContact O-N 3.12Å; L713-P774 HydrophobicContact CB-CB 3.9Å
714	H	95.7	Very high	94.4	Very high	0 Å²	0	29.2 Å²	29.2	0%	0	17%	0.166	C	C	.	.	G	3₁₀ helix	trans	-57.5	-38.6	178.8	-80.9	91.4	0	0	0	113	P711 F716 I717 N718 F760 P774	P711-H714 VanDerWaalsContact CA-ND1 3.31Å; P711-H714 WeakPolarHBondContact CA-ND1 3.25Å; P711-H714 PolarHBondContact O-N 2.98Å; P711-H714 VanDerWaalsContact O-N 3.14Å; P711-H714 PolarHBondContact O-ND1 3.3Å; H714-F716 PolarHBondContact O-N 3.31Å; H714-I717 WeakPolarHBondContact O-CG1 3.43Å; H714-I717 PolarHBondContact O-N 3.14Å; H714-N718 PolarHBondContact O-N 2.92Å; H714-N718 VanDerWaalsContact O-N 3.08Å; H714-F760 HydrophobicContact CB-CB 3.76Å; H714-F760 HydrophobicContact CB-CD1 3.32Å; H714-F760 HydrophobicContact CB-CD2 3.77Å; H714-F760 HydrophobicContact CB-CE1 3.7Å; H714-F760 HydrophobicContact CB-CE2 4.14Å; H714-F760 HydrophobicContact CB-CG 3.34Å; H714-F760 HydrophobicContact CB-CZ 4.11Å; H714-F760 AromaticContact CD2-CD1 3.93Å; H714-F760 AromaticContact CG-CD1 3.75Å; H714-F760 AromaticContact CG-CG 3.86Å; H714-P774 HydrophobicContact CB-CG 4.38Å; H714-P774 VanDerWaalsContact CE1-CG 3.4Å; H714-P774 WeakPolarHBondContact CE1-CG 3.26Å; H714-P774 WeakPolarHBondContact ND1-CG 3.26Å; H714-P774 WeakPolarHBondContact NE2-CD 3.09Å
715	R	92.1	Very high	94.2	Very high	50 Å²	50	27.1 Å²	27.1	19%	0.189	15%	0.153	C	C	.	.	G	3₁₀ helix	trans	-58.5	-24.6	-179.3	73.2	-176.5	-172.3	106.5	-8.5	113.4	V644 F646 P679 L713 F760	V644-R715 PolarHBondContact O-NH1 2.87Å; F646-R715 WeakPolarHBondContact CD1-O 3.39Å; P679-R715 PolarHBondContact O-NH2 2.69Å; L713-R715 VanDerWaalsContact C-N 3.27Å; L713-R715 PolarHBondContact O-N 3.02Å; R715-F760 HydrophobicContact CB-CE2 4.14Å
716	F	92.1	Very high	94.1	Very high	0 Å²	0	23 Å²	23	0%	0	14%	0.135	C	C	.	.	G	3₁₀ helix	trans	-87.9	-11.6	-179.6	-61.9	-79.7	0	0	0	114.1	F646 W671 F678 L684 L713 H714	F646-F716 HydrophobicContact CB-CD1 4.33Å; F646-F716 HydrophobicContact CD1-CB 4.42Å; F646-F716 HydrophobicContact CD1-CD1 4.07Å; F646-F716 AromaticContact CD2-CD1 3.71Å; F646-F716 HydrophobicContact CD2-CD1 3.71Å; F646-F716 HydrophobicContact CD2-CE1 4.06Å; F646-F716 HydrophobicContact CE1-CB 4.36Å; F646-F716 HydrophobicContact CE1-CD1 4.32Å; F646-F716 VanDerWaalsContact CE1-O 3.29Å; F646-F716 WeakPolarHBondContact CE1-O 3.5Å; F646-F716 HydrophobicContact CE2-CD1 4Å; F646-F716 AromaticContact CG-CD1 3.75Å; F646-F716 HydrophobicContact CG-CD1 3.75Å; F646-F716 HydrophobicContact CG-CE1 4.3Å; F646-F716 HydrophobicContact CZ-CD1 4.3Å; W671-F716 HydrophobicContact CZ3-CB 4.35Å; F678-F716 HydrophobicContact CB-CE1 3.94Å; F678-F716 HydrophobicContact CB-CZ 4.38Å; F678-F716 HydrophobicContact CG-CE1 4.3Å; L684-F716 HydrophobicContact CD1-CD1 4.1Å; L684-F716 HydrophobicContact CD1-CE1 3.76Å; L684-F716 HydrophobicContact CD1-CZ 3.98Å; L684-F716 HydrophobicContact CD2-CB 4Å; L684-F716 HydrophobicContact CD2-CD1 3.79Å; L684-F716 HydrophobicContact CD2-CD2 3.46Å; L684-F716 VanDerWaalsContact CD2-CD2 3.46Å; L684-F716 HydrophobicContact CD2-CE1 3.98Å; L684-F716 HydrophobicContact CD2-CE2 3.65Å; L684-F716 HydrophobicContact CD2-CG 3.47Å; L684-F716 VanDerWaalsContact CD2-CG 3.47Å; L684-F716 HydrophobicContact CD2-CZ 3.86Å; L684-F716 HydrophobicContact CG-CE1 4.33Å; L684-F716 HydrophobicContact CG-CE2 4.32Å; L684-F716 HydrophobicContact CG-CZ 4.15Å; L713-F716 HydrophobicContact CD2-CD2 4.1Å; L713-F716 HydrophobicContact CD2-CE2 4.21Å; L713-F716 PolarHBondContact O-N 2.04Å; L713-F716 VanDerWaalsContact O-N 3.12Å; H714-F716 PolarHBondContact O-N 3.31Å
717	I	93.9	Very high	93.9	Very high	0 Å²	0	27.6 Å²	27.6	0%	0	15%	0.149	C	C	.	.	T	Hydrogen-bonded Turn	trans	-114	-2.8	179.8	64.5	162.6	0	0	0	111.9	F660 L687 L689 H714 I719 A722 P742 L772 P774	F660-I717 HydrophobicContact CE1-CG2 4.2Å; F660-I717 HydrophobicContact CZ-CG2 4.17Å; L687-I717 HydrophobicContact CD1-CG2 4.42Å; L687-I717 HydrophobicContact CD2-CG2 3.93Å; L689-I717 HydrophobicContact CD1-CB 4.25Å; L689-I717 HydrophobicContact CD1-CD1 3.95Å; L689-I717 HydrophobicContact CD1-CG2 3.99Å; L689-I717 HydrophobicContact CD2-CG2 4.1Å; L689-I717 HydrophobicContact CG-CG2 4.49Å; H714-I717 WeakPolarHBondContact O-CG1 3.43Å; H714-I717 PolarHBondContact O-N 3.14Å; I717-I719 PolarHBondContact O-N 3.1Å; I717-A722 HydrophobicContact CB-CB 4.33Å; I717-A722 VanDerWaalsContact O-CB 3.31Å; I717-A722 WeakPolarHBondContact O-CB 3.26Å; I717-P742 HydrophobicContact CD1-CG 4.23Å; I717-P742 HydrophobicContact CG1-CG 4.3Å; I717-L772 HydrophobicContact CD1-CB 4.19Å; I717-P774 HydrophobicContact CD1-CB 3.79Å; I717-P774 HydrophobicContact CD1-CG 3.69Å
718	N	94.8	Very high	93.7	Very high	28 Å²	28	27.2 Å²	27.2	15%	0.15	15%	0.147	C	C	.	.			trans	-81.2	52.9	179	-165.8	48.8	0	0	0	112.1	H714 L753 Q754 F760	H714-N718 PolarHBondContact O-N 2.92Å; H714-N718 VanDerWaalsContact O-N 3.08Å; N718-L753 WeakPolarHBondContact OD1-CA 3.37Å; N718-Q754 PolarHBondContact ND2-O 2.86Å; N718-Q754 PolarHBondContact OD1-N 3.09Å; N718-F760 HydrophobicContact CB-CE1 3.91Å; N718-F760 HydrophobicContact CB-CZ 3.77Å
719	I	92.1	Very high	93.5	Very high	9 Å²	9	32.8 Å²	32.8	5%	0.046	17%	0.172	C	C	.	.	S	Bend	trans	-142.2	153.4	-177.2	56.5	167.4	0	0	0	110.2	F646 W653 F660 I717 E721 A722 F723	F646-I719 HydrophobicContact CD1-CG2 4.43Å; F646-I719 HydrophobicContact CE1-CD1 4.06Å; F646-I719 HydrophobicContact CE1-CG2 4.37Å; W653-I719 HydrophobicContact CE3-CD1 3.71Å; W653-I719 HydrophobicContact CH2-CD1 3.48Å; W653-I719 VanDerWaalsContact CH2-CD1 3.48Å; W653-I719 HydrophobicContact CZ2-CD1 4.36Å; W653-I719 HydrophobicContact CZ3-CD1 3.11Å; F660-I719 HydrophobicContact CE2-CD1 4.45Å; I717-I719 PolarHBondContact O-N 3.1Å; I719-E721 HydrophobicContact CD1-CB 4.25Å; I719-E721 PolarHBondContact O-N 3.36Å; I719-A722 HydrophobicContact CG1-CB 3.91Å; I719-A722 PolarHBondContact O-N 2.99Å; I719-F723 VanDerWaalsContact O-CD2 3.28Å; I719-F723 WeakPolarHBondContact O-CD2 3.29Å
720	K	91.5	Very high	93.2	Very high	90 Å²	90	33.3 Å²	33.3	39%	0.391	18%	0.176	S	C	.	.	H	α-helix	trans	-57.3	-38.1	-179.4	-174.1	-177.8	-175.9	171.7	0	112	A722 F723 S724 C730 V733	K720-A722 VanDerWaalsContact C-N 3.27Å; K720-A722 PolarHBondContact O-N 2.8Å; K720-F723 WeakPolarHBondContact O-CB 3.42Å; K720-F723 PolarHBondContact O-N 3.38Å; K720-F723 VanDerWaalsContact O-N 3.12Å; K720-S724 PolarHBondContact O-N 3.37Å; K720-C730 HydrophobicContact CG-CB 4.48Å; K720-V733 HydrophobicContact CB-CG2 4.47Å; K720-V733 HydrophobicContact CD-CG2 3.87Å; K720-V733 HydrophobicContact CG-CG2 4.02Å
721	E	90.3	Very high	92.9	Very high	68 Å²	68	41.2 Å²	41.2	32%	0.318	21%	0.213	S	C	.	.	H	α-helix	trans	-71.6	-22	-173.5	-61.3	82.4	-177.2	0	0	113.1	W653 I719 F723 S724 A725	W653-E721 HydrophobicContact CB-CG 4.14Å; W653-E721 HydrophobicContact CD2-CB 3.7Å; W653-E721 HydrophobicContact CD2-CG 3.8Å; W653-E721 HydrophobicContact CE3-CB 4.29Å; W653-E721 HydrophobicContact CG-CB 4.02Å; W653-E721 HydrophobicContact CG-CG 3.58Å; W653-E721 HydrophobicContact CH2-CB 4.3Å; W653-E721 HydrophobicContact CZ2-CB 3.68Å; I719-E721 HydrophobicContact CD1-CB 4.25Å; I719-E721 PolarHBondContact O-N 3.36Å; E721-F723 VanDerWaalsContact C-N 3.31Å; E721-S724 PolarHBondContact O-N 3.11Å; E721-A725 WeakPolarHBondContact O-CB 3.34Å; E721-A725 PolarHBondContact O-N 2.75Å
722	A	92.6	Very high	92.7	Very high	0 Å²	0	41.9 Å²	41.9	0%	0	22%	0.222	C	C	.	.	H	α-helix	trans	-66	-36.1	171.5	0	0	0	0	0	111.4	F660 L689 I717 I719 K720 L726 L772	F660-A722 HydrophobicContact CE2-CB 3.78Å; F660-A722 HydrophobicContact CZ-CB 4Å; L689-A722 HydrophobicContact CD2-CB 4.32Å; I717-A722 HydrophobicContact CB-CB 4.33Å; I717-A722 VanDerWaalsContact O-CB 3.31Å; I717-A722 WeakPolarHBondContact O-CB 3.26Å; I719-A722 HydrophobicContact CG1-CB 3.91Å; I719-A722 PolarHBondContact O-N 2.99Å; K720-A722 VanDerWaalsContact C-N 3.27Å; K720-A722 PolarHBondContact O-N 2.8Å; A722-L726 PolarHBondContact O-N 2.92Å; A722-L772 HydrophobicContact CB-CD2 3.85Å
723	F	94.4	Very high	92.7	Very high	0 Å²	0	44.3 Å²	44.3	0%	0	24%	0.235	C	C	.	.	H	α-helix	trans	-66	-48	173.4	-65	-95.5	0	0	0	110.9	I719 K720 E721 A725 L726 D727 L728 C730 P742 A743 F744 C751 L753 L772	I719-F723 VanDerWaalsContact O-CD2 3.28Å; I719-F723 WeakPolarHBondContact O-CD2 3.29Å; K720-F723 WeakPolarHBondContact O-CB 3.42Å; K720-F723 PolarHBondContact O-N 3.38Å; K720-F723 VanDerWaalsContact O-N 3.12Å; E721-F723 VanDerWaalsContact C-N 3.31Å; F723-A725 VanDerWaalsContact C-N 3.26Å; F723-A725 PolarHBondContact O-N 3.27Å; F723-L726 CarbonylContact O-C 3.3Å; F723-L726 WeakPolarHBondContact O-CA 3.42Å; F723-L726 PolarHBondContact O-N 3.43Å; F723-D727 PolarHBondContact O-N 2.89Å; F723-L728 CarbonylContact C-O 3.6Å; F723-L728 HydrophobicContact CB-CB 4.09Å; F723-L728 HydrophobicContact CD1-CD1 4.15Å; F723-L728 WeakPolarHBondContact O-CB 3.35Å; F723-L728 PolarHBondContact O-N 3.07Å; F723-C730 VanDerWaalsContact CB-SG 3.58Å; F723-P742 HydrophobicContact CE2-CB 4.35Å; F723-P742 HydrophobicContact CZ-CB 3.93Å; F723-A743 WeakPolarHBondContact CE1-O 3.17Å; F723-F744 HydrophobicContact CD1-CB 4.08Å; F723-F744 HydrophobicContact CE1-CB 4.01Å; F723-C751 HydrophobicContact CD1-CB 4.03Å; F723-C751 WeakPolarHBondContact CD1-SG 3.33Å; F723-C751 HydrophobicContact CD2-CB 4.14Å; F723-C751 HydrophobicContact CE1-CB 3.99Å; F723-C751 HydrophobicContact CE2-CB 4.14Å; F723-C751 HydrophobicContact CG-CB 4.09Å; F723-C751 VanDerWaalsContact CG-SG 3.59Å; F723-C751 HydrophobicContact CZ-CB 4.05Å; F723-L753 HydrophobicContact CE2-CD2 3.64Å; F723-L753 HydrophobicContact CZ-CD2 4.33Å; F723-L772 HydrophobicContact CD1-CD1 3.51Å; F723-L772 HydrophobicContact CD1-CD2 3.93Å; F723-L772 HydrophobicContact CD1-CG 4.38Å; F723-L772 HydrophobicContact CD2-CD2 3.85Å; F723-L772 HydrophobicContact CE1-CD1 3.41Å; F723-L772 VanDerWaalsContact CE1-CD1 3.41Å; F723-L772 HydrophobicContact CE1-CD2 3.93Å; F723-L772 HydrophobicContact CE1-CG 4.27Å; F723-L772 HydrophobicContact CE2-CD2 3.83Å; F723-L772 HydrophobicContact CG-CD1 4.29Å; F723-L772 HydrophobicContact CG-CD2 3.89Å; F723-L772 HydrophobicContact CZ-CD1 4.11Å; F723-L772 HydrophobicContact CZ-CD2 3.9Å
724	S	91.4	Very high	92.7	Very high	47 Å²	47	46.3 Å²	46.3	33%	0.329	24%	0.244	S	C	.	.	H	α-helix	trans	-61.9	-35.1	178.7	-55.9	0	0	0	0	112.5	K720 E721 L726 D727 L728	K720-S724 PolarHBondContact O-N 3.37Å; E721-S724 PolarHBondContact O-N 3.11Å; S724-L726 PolarHBondContact O-N 3.24Å; S724-D727 PolarHBondContact O-N 3.29Å; S724-D727 VanDerWaalsContact O-N 3.13Å; S724-L728 PolarHBondContact N-O 3.12Å
725	A	90.5	Very high	92.6	Very high	35 Å²	35	49.5 Å²	49.5	29%	0.289	27%	0.266	S	S	.	.	H	α-helix	trans	-65.5	-25.8	175.1	0	0	0	0	0	112.9	F660 L669 E721 F723 D727	F660-A725 HydrophobicContact CB-CB 3.91Å; F660-A725 HydrophobicContact CD2-CB 3.8Å; F660-A725 HydrophobicContact CG-CB 4.16Å; L669-A725 HydrophobicContact CD1-CB 3.73Å; L669-A725 VanDerWaalsContact CD1-O 3.29Å; L669-A725 WeakPolarHBondContact CD1-O 3.24Å; E721-A725 WeakPolarHBondContact O-CB 3.34Å; E721-A725 PolarHBondContact O-N 2.75Å; F723-A725 VanDerWaalsContact C-N 3.26Å; F723-A725 PolarHBondContact O-N 3.27Å; A725-D727 VanDerWaalsContact C-N 3.3Å
726	L	92.1	Very high	92.8	Very high	21 Å²	21	52.2 Å²	52.2	11%	0.11	28%	0.281	C	S	.	.	T	Hydrogen-bonded Turn	trans	-93.2	17.8	175	-70.4	163.5	0	0	0	112.7	L669 L689 T691 A722 F723 S724 L728 L772	L669-L726 HydrophobicContact CD1-CD2 3.49Å; L669-L726 VanDerWaalsContact CD1-CD2 3.49Å; L669-L726 HydrophobicContact CD1-CG 3.68Å; L669-L726 HydrophobicContact CG-CD2 3.79Å; L689-L726 HydrophobicContact CD1-CD1 4.01Å; L689-L726 HydrophobicContact CD2-CD1 3.9Å; L689-L726 HydrophobicContact CD2-CG 4.28Å; L689-L726 HydrophobicContact CG-CD1 3.8Å; L689-L726 HydrophobicContact CG-CD2 4.32Å; L689-L726 HydrophobicContact CG-CG 4.32Å; T691-L726 HydrophobicContact CG2-CB 3.88Å; T691-L726 HydrophobicContact CG2-CD1 3.6Å; T691-L726 HydrophobicContact CG2-CD2 4.09Å; T691-L726 HydrophobicContact CG2-CG 4.06Å; A722-L726 PolarHBondContact O-N 2.92Å; F723-L726 CarbonylContact O-C 3.3Å; F723-L726 WeakPolarHBondContact O-CA 3.42Å; F723-L726 PolarHBondContact O-N 3.43Å; S724-L726 PolarHBondContact O-N 3.24Å; L726-L728 HydrophobicContact CB-CD1 4.49Å; L726-L728 HydrophobicContact CB-CG 4.41Å; L726-L728 PolarHBondContact O-N 3.41Å; L726-L772 HydrophobicContact CD1-CD1 4.12Å; L726-L772 HydrophobicContact CD1-CD2 4.08Å; L726-L772 HydrophobicContact CD1-CG 3.63Å
727	D	91.2	Very high	93	Very high	144 Å²	144	55.7 Å²	55.7	77%	0.77	30%	0.298	S	S	*	.	T	Hydrogen-bonded Turn	trans	59	24.1	-177.1	-60.1	-48.6	0	0	0	114.2	F723 S724 A725	F723-D727 PolarHBondContact O-N 2.89Å; S724-D727 PolarHBondContact O-N 3.29Å; S724-D727 VanDerWaalsContact O-N 3.13Å; A725-D727 VanDerWaalsContact C-N 3.3Å
728	L	92.3	Very high	93.1	Very high	21 Å²	21	56.9 Å²	56.9	11%	0.11	31%	0.305	C	S	.	.			trans	-95.5	113.3	173.5	-59.5	176	0	0	0	110	T691 F723 S724 L726 F744 L772	T691-L728 HydrophobicContact CG2-CD1 3.8Å; F723-L728 CarbonylContact C-O 3.6Å; F723-L728 HydrophobicContact CB-CB 4.09Å; F723-L728 HydrophobicContact CD1-CD1 4.15Å; F723-L728 WeakPolarHBondContact O-CB 3.35Å; F723-L728 PolarHBondContact O-N 3.07Å; S724-L728 PolarHBondContact N-O 3.12Å; L726-L728 HydrophobicContact CB-CD1 4.49Å; L726-L728 HydrophobicContact CB-CG 4.41Å; L726-L728 PolarHBondContact O-N 3.41Å; L728-F744 HydrophobicContact CB-CD2 4.35Å; L728-F744 HydrophobicContact CB-CG 4.4Å; L728-F744 HydrophobicContact CD1-CB 3.85Å; L728-F744 HydrophobicContact CD1-CD1 4.27Å; L728-F744 HydrophobicContact CD1-CG 4.05Å; L728-F744 HydrophobicContact CD2-CD1 3.82Å; L728-F744 HydrophobicContact CD2-CE1 3.97Å; L728-F744 HydrophobicContact CD2-CG 4.3Å; L728-F744 HydrophobicContact CG-CD1 4.48Å; L728-F744 HydrophobicContact CG-CG 4.49Å; L728-L772 HydrophobicContact CD1-CD1 3.99Å
729	Q	92.4	Very high	93.2	Very high	136 Å²	136	56.2 Å²	56.2	64%	0.636	30%	0.301	S	S	*	.			trans	-87.1	118	179.5	-63.9	-62.8	-30.4	0	0	110.2
730	C	92.8	Very high	93.5	Very high	15 Å²	15	56.6 Å²	56.6	10%	0.101	30%	0.303	C	S	.	.			trans	-92.8	112.5	178.8	-47.5	0	0	0	0	110.6	K720 F723 V733 A749 C751	K720-C730 HydrophobicContact CG-CB 4.48Å; F723-C730 VanDerWaalsContact CB-SG 3.58Å; C730-V733 HydrophobicContact CB-CG2 4.29Å; C730-A749 CarbonylContact C-O 3.5Å; C730-A749 WeakPolarHBondContact CA-O 3.18Å; C730-C751 HydrophobicContact CB-CB 3.69Å; C730-C751 WeakPolarHBondContact CB-SG 3.14Å; C730-C751 WeakPolarHBondContact SG-CB 3.49Å; C730-C751 CovalentContact SG-SG 2.01Å; C730-C751 PolarHBondContact SG-SG 3.23Å
731	E	92.6	Very high	93.8	Very high	171 Å²	171	52.4 Å²	52.4	80%	0.799	28%	0.284	S	S	*	.	S	Bend	trans	-75.4	-39.4	167.7	-70.1	-173.3	-177.8	0	0	111	A749	E731-A749 HydrophobicContact CB-CB 4.06Å; E731-A749 HydrophobicContact CG-CB 3.72Å; E731-A749 PolarHBondContact N-O 3.41Å
732	G	92.1	Very high	94.1	Very high	26 Å²	26	49.1 Å²	49.1	27%	0.268	27%	0.269	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.9	152.9	175.1	0	0	0	0	0	112.3	C751	G732-C751 PolarHBondContact O-N 3.31Å
733	V	94.4	Very high	94.4	Very high	70 Å²	70	49.1 Å²	49.1	42%	0.424	27%	0.269	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.8	122.6	169.4	-177.2	0	0	0	0	108.9	K720 C730 C751 L753	K720-V733 HydrophobicContact CB-CG2 4.47Å; K720-V733 HydrophobicContact CD-CG2 3.87Å; K720-V733 HydrophobicContact CG-CG2 4.02Å; C730-V733 HydrophobicContact CB-CG2 4.29Å; V733-C751 VanDerWaalsContact CA-O 3.27Å; V733-C751 WeakPolarHBondContact CA-O 3.38Å; V733-C751 HydrophobicContact CG2-CB 4.44Å; V733-L753 HydrophobicContact CG1-CD1 3.77Å; V733-L753 HydrophobicContact CG1-CG 3.96Å
734	E	94.8	Very high	94.5	Very high	42 Å²	42	50 Å²	50	20%	0.196	27%	0.273	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.1	155.6	173.7	64.8	174.2	-173.4	0	0	110.6	E750 C751 S752 L753	E734-E750 HydrophobicContact CG-CG 4.26Å; E734-C751 PolarHBondContact N-O 3.04Å; E734-C751 VanDerWaalsContact N-O 3.08Å; E734-S752 VanDerWaalsContact OE1-CB 3.26Å; E734-S752 WeakPolarHBondContact OE1-CB 3.39Å; E734-S752 PolarHBondContact OE1-OG 3.23Å; E734-L753 PolarHBondContact O-N 3.3Å
735	S	94.7	Very high	94.7	Very high	66 Å²	66	48.2 Å²	48.2	46%	0.462	26%	0.26	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.8	113	174	-176.8	0	0	0	0	109.5	L753	S735-L753 WeakPolarHBondContact CA-O 3.19Å
736	E	95.3	Very high	94.7	Very high	108 Å²	108	49.1 Å²	49.1	51%	0.505	27%	0.268	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.3	165.8	-177.9	-54.5	-167.1	151.2	0	0	111.7	N738 F741 L753 Q754 H755	E736-N738 PolarHBondContact O-N 3.11Å; E736-F741 HydrophobicContact CB-CE2 4.11Å; E736-L753 PolarHBondContact N-O 3.25Å; E736-Q754 PolarHBondContact O-OE1 3.13Å; E736-H755 PolarHBondContact O-N 2.81Å
737	M	96.1	Very high	94.4	Very high	73 Å²	73	55.4 Å²	55.4	36%	0.36	30%	0.297	S	S	.	.			trans	-79.1	99.2	172.8	-68.7	-178.1	177.6	0	0	110.1	Y402 H755 D756 L759	Y402-M737 VanDerWaalsContact CE2-O 3.28Å; Y402-M737 WeakPolarHBondContact CE2-O 3.29Å; M737-H755 HydrophobicContact CG-CB 4.25Å; M737-D756 HydrophobicContact CE-CB 4.26Å; M737-D756 HydrophobicContact CG-CB 4.07Å; M737-L759 HydrophobicContact CB-CD1 3.74Å; M737-L759 HydrophobicContact CG-CD1 4.38Å
738	N	97.2	Very high	94.3	Very high	25 Å²	25	54 Å²	54	13%	0.134	29%	0.285	C	S	.	.			trans	-149.3	123.5	177	-169.6	-28.3	0	0	0	111.7	Y402 E736 L740 F741 Q754	Y402-N738 PolarHBondContact OH-OD1 2.87Å; E736-N738 PolarHBondContact O-N 3.11Å; N738-L740 PolarHBondContact O-N 2.77Å; N738-L740 PolarHBondContact OD1-N 3.37Å; N738-F741 HydrophobicContact CB-CD1 4.08Å; N738-F741 HydrophobicContact CB-CD2 3.62Å; N738-F741 HydrophobicContact CB-CE1 4.08Å; N738-F741 HydrophobicContact CB-CE2 3.61Å; N738-F741 HydrophobicContact CB-CG 3.86Å; N738-F741 HydrophobicContact CB-CZ 3.85Å; N738-F741 PolarHBondContact O-N 3.44Å; N738-Q754 PolarHBondContact O-NE2 2.94Å
739	H	97.2	Very high	94.3	Very high	14 Å²	14	53.9 Å²	53.9	7%	0.065	29%	0.287	C	S	.	.	T	Hydrogen-bonded Turn	trans	-62.2	-13.9	-177.9	76.4	-65.6	0	0	0	114.7	A396 Y402 Y408 L759 S761 R771	A396-H739 HydrophobicContact CB-CB 4.31Å; Y402-H739 HydrophobicContact CE1-CB 4.14Å; Y402-H739 AromaticContact CE1-ND1 3.56Å; Y402-H739 AromaticContact CZ-ND1 3.52Å; Y402-H739 PolarHBondContact OH-N 2.76Å; Y402-H739 PolarHBondContact OH-ND1 3.49Å; Y408-H739 AromaticContact CZ-CE1 3.91Å; Y408-H739 PolarHBondContact OH-CE1 2.8Å; Y408-H739 PolarHBondContact OH-NE2 3.48Å; H739-L759 VanDerWaalsContact CA-O 3.25Å; H739-L759 WeakPolarHBondContact CA-O 3.21Å; H739-L759 HydrophobicContact CB-CD2 4.36Å; H739-S761 VanDerWaalsContact O-CB 3.3Å; H739-S761 WeakPolarHBondContact O-CB 3.05Å; H739-R771 PolarHBondContact O-NH2 2.04Å
740	L	97.5	Very high	94.4	Very high	17 Å²	17	50.2 Å²	50.2	9%	0.089	27%	0.27	C	S	.	.	T	Hydrogen-bonded Turn	trans	-83.4	-9.9	176.5	-59.8	179.2	0	0	0	113.6	N738 G764 Y769 R771	N738-L740 PolarHBondContact O-N 2.77Å; N738-L740 PolarHBondContact OD1-N 3.37Å; L740-G764 VanDerWaalsContact CD2-C 3.49Å; L740-Y769 HydrophobicContact CB-CD2 4.36Å; L740-Y769 HydrophobicContact CD1-CD2 3.99Å; L740-Y769 HydrophobicContact CD1-CE2 4.23Å; L740-R771 PolarHBondContact O-NE 2.69Å; L740-R771 PolarHBondContact O-NH2 3.35Å
741	F	97.6	Very high	94.6	Very high	1 Å²	1	49.5 Å²	49.5	0%	0.004	27%	0.265	C	S	.	.			trans	-87.1	149.2	-176.1	-63.7	-8	0	0	0	112.2	E736 N738 A743 S752 Q754 Y769	E736-F741 HydrophobicContact CB-CE2 4.11Å; N738-F741 HydrophobicContact CB-CD1 4.08Å; N738-F741 HydrophobicContact CB-CD2 3.62Å; N738-F741 HydrophobicContact CB-CE1 4.08Å; N738-F741 HydrophobicContact CB-CE2 3.61Å; N738-F741 HydrophobicContact CB-CG 3.86Å; N738-F741 HydrophobicContact CB-CZ 3.85Å; N738-F741 PolarHBondContact O-N 3.44Å; F741-A743 HydrophobicContact CD1-CB 3.84Å; F741-A743 HydrophobicContact CE1-CB 4.33Å; F741-S752 VanDerWaalsContact CE2-CB 3.4Å; F741-Q754 HydrophobicContact CB-CB 4.19Å; F741-Y769 HydrophobicContact CE1-CE2 4.16Å
742	P	97.7	Very high	94.8	Very high	0 Å²	0	41.4 Å²	41.4	0%	0	23%	0.227	C	C	.	.	S	Bend	cis	-75.9	139.4	5.7	29.1	-31.5	0	0	0	114.1	I717 F723 S752 L772	I717-P742 HydrophobicContact CD1-CG 4.23Å; I717-P742 HydrophobicContact CG1-CG 4.3Å; F723-P742 HydrophobicContact CE2-CB 4.35Å; F723-P742 HydrophobicContact CZ-CB 3.93Å; P742-S752 VanDerWaalsContact CA-O 3.26Å; P742-S752 WeakPolarHBondContact CA-O 3.49Å; P742-L772 HydrophobicContact CB-CB 4.33Å; P742-L772 HydrophobicContact CG-CB 3.94Å; P742-L772 PolarHBondContact O-N 2.77Å
743	A	97.4	Very high	95.1	Very high	0 Å²	0	41.4 Å²	41.4	0%	0	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-148.9	153	-174.4	0	0	0	0	0	113.4	F723 F741 S752 Y769 Q770	F723-A743 WeakPolarHBondContact CE1-O 3.17Å; F741-A743 HydrophobicContact CD1-CB 3.84Å; F741-A743 HydrophobicContact CE1-CB 4.33Å; A743-S752 PolarHBondContact N-O 3.5Å; A743-S752 PolarHBondContact O-N 3.25Å; A743-Y769 HydrophobicContact CB-CD1 4.3Å; A743-Y769 HydrophobicContact CB-CG 4.04Å; A743-Q770 CarbonylContact C-O 3.56Å; A743-Q770 WeakPolarHBondContact CA-O 3.19Å
744	F	97.4	Very high	95.2	Very high	19 Å²	19	38.3 Å²	38.3	8%	0.083	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.7	132.1	176.1	176.4	-107.6	0	0	0	110.6	F723 L728 A746 A749 E750 Y769 Q770	F723-F744 HydrophobicContact CD1-CB 4.08Å; F723-F744 HydrophobicContact CE1-CB 4.01Å; L728-F744 HydrophobicContact CB-CD2 4.35Å; L728-F744 HydrophobicContact CB-CG 4.4Å; L728-F744 HydrophobicContact CD1-CB 3.85Å; L728-F744 HydrophobicContact CD1-CD1 4.27Å; L728-F744 HydrophobicContact CD1-CG 4.05Å; L728-F744 HydrophobicContact CD2-CD1 3.82Å; L728-F744 HydrophobicContact CD2-CE1 3.97Å; L728-F744 HydrophobicContact CD2-CG 4.3Å; L728-F744 HydrophobicContact CG-CD1 4.48Å; L728-F744 HydrophobicContact CG-CG 4.49Å; F744-A746 HydrophobicContact CE1-CB 3.97Å; F744-A749 HydrophobicContact CE2-CB 4.36Å; F744-A749 HydrophobicContact CZ-CB 4.39Å; F744-E750 WeakPolarHBondContact CA-O 3.07Å; F744-E750 WeakPolarHBondContact CD2-O 3.3Å; F744-Y769 WeakPolarHBondContact O-CA 3.21Å; F744-Q770 PolarHBondContact N-O 2.8Å; F744-Q770 PolarHBondContact O-N 2.79Å
745	S	95.3	Very high	95.2	Very high	9 Å²	9	42 Å²	42	6%	0.063	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.3	111.5	172.7	-176.4	0	0	0	0	110.1	E747 A749 E750	S745-E747 VanDerWaalsContact C-N 3.25Å; S745-E747 PolarHBondContact O-N 3.44Å; S745-A749 VanDerWaalsContact O-CA 3.32Å; S745-A749 WeakPolarHBondContact O-CA 3.22Å; S745-A749 PolarHBondContact O-N 3.07Å; S745-E750 PolarHBondContact N-O 2.8Å; S745-E750 PolarHBondContact O-N 3.27Å; S745-E750 VanDerWaalsContact O-N 3.13Å
746	A	89.9	Confident	95.3	Very high	54 Å²	54	40.5 Å²	40.5	45%	0.446	21%	0.206	S	C	.	.	T	Hydrogen-bonded Turn	trans	-68.4	-23	-179.3	0	0	0	0	0	113.5	F744 H748	F744-A746 HydrophobicContact CE1-CB 3.97Å; A746-H748 VanDerWaalsContact C-N 3.32Å; A746-H748 PolarHBondContact O-N 3.14Å
747	E	87.8	Confident	95.2	Very high	153 Å²	153	38.5 Å²	38.5	72%	0.715	20%	0.202	S	C	*	.	T	Hydrogen-bonded Turn	trans	-64.8	-36	-178.5	-172	177.8	-175.7	0	0	112.3	S745	S745-E747 VanDerWaalsContact C-N 3.25Å; S745-E747 PolarHBondContact O-N 3.44Å
748	H	88.1	Confident	95.2	Very high	113 Å²	113	37.2 Å²	37.2	52%	0.523	20%	0.197	S	C	.	.	T	Hydrogen-bonded Turn	trans	-122.8	8.7	-176.9	-57.4	102.3	0	0	0	113.1	A746 E750	A746-H748 VanDerWaalsContact C-N 3.32Å; A746-H748 PolarHBondContact O-N 3.14Å; H748-E750 HydrophobicContact CB-CB 4.21Å; H748-E750 PolarHBondContact O-N 2.83Å; H748-E750 VanDerWaalsContact O-N 3.15Å
749	A	92	Very high	95.2	Very high	19 Å²	19	36 Å²	36	16%	0.157	19%	0.19	C	C	.	.	T	Hydrogen-bonded Turn	trans	46.6	41.6	-170.7	0	0	0	0	0	112.7	C730 E731 F744 S745	C730-A749 CarbonylContact C-O 3.5Å; C730-A749 WeakPolarHBondContact CA-O 3.18Å; E731-A749 HydrophobicContact CB-CB 4.06Å; E731-A749 HydrophobicContact CG-CB 3.72Å; E731-A749 PolarHBondContact N-O 3.41Å; F744-A749 HydrophobicContact CE2-CB 4.36Å; F744-A749 HydrophobicContact CZ-CB 4.39Å; S745-A749 VanDerWaalsContact O-CA 3.32Å; S745-A749 WeakPolarHBondContact O-CA 3.22Å; S745-A749 PolarHBondContact O-N 3.07Å
750	E	95.5	Very high	95.2	Very high	60 Å²	60	36.5 Å²	36.5	28%	0.28	19%	0.192	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.5	132.6	-172.6	-176.3	167.6	-126.1	0	0	110.9	E734 F744 S745 H748	E734-E750 HydrophobicContact CG-CG 4.26Å; F744-E750 WeakPolarHBondContact CA-O 3.07Å; F744-E750 WeakPolarHBondContact CD2-O 3.3Å; S745-E750 PolarHBondContact N-O 2.8Å; S745-E750 PolarHBondContact O-N 3.27Å; S745-E750 VanDerWaalsContact O-N 3.13Å; H748-E750 HydrophobicContact CB-CB 4.21Å; H748-E750 PolarHBondContact O-N 2.83Å; H748-E750 VanDerWaalsContact O-N 3.15Å
751	C	96.9	Very high	95.3	Very high	0 Å²	0	35.7 Å²	35.7	0%	0	19%	0.188	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.3	115.4	177.6	-66.7	0	0	0	0	110.1	F723 C730 G732 V733 E734	F723-C751 HydrophobicContact CD1-CB 4.03Å; F723-C751 WeakPolarHBondContact CD1-SG 3.33Å; F723-C751 HydrophobicContact CD2-CB 4.14Å; F723-C751 HydrophobicContact CE1-CB 3.99Å; F723-C751 HydrophobicContact CE2-CB 4.14Å; F723-C751 HydrophobicContact CG-CB 4.09Å; F723-C751 VanDerWaalsContact CG-SG 3.59Å; F723-C751 HydrophobicContact CZ-CB 4.05Å; C730-C751 HydrophobicContact CB-CB 3.69Å; C730-C751 WeakPolarHBondContact CB-SG 3.14Å; C730-C751 WeakPolarHBondContact SG-CB 3.49Å; C730-C751 CovalentContact SG-SG 2.01Å; C730-C751 PolarHBondContact SG-SG 3.23Å; G732-C751 PolarHBondContact O-N 3.31Å; V733-C751 VanDerWaalsContact CA-O 3.27Å; V733-C751 WeakPolarHBondContact CA-O 3.38Å; V733-C751 HydrophobicContact CG2-CB 4.44Å; E734-C751 PolarHBondContact N-O 3.04Å; E734-C751 VanDerWaalsContact N-O 3.08Å
752	S	97.3	Very high	95.3	Very high	0 Å²	0	35.7 Å²	35.7	0%	0	19%	0.188	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.6	126.3	-177.5	-40.1	0	0	0	0	110.6	E734 F741 P742 A743	E734-S752 VanDerWaalsContact OE1-CB 3.26Å; E734-S752 WeakPolarHBondContact OE1-CB 3.39Å; E734-S752 PolarHBondContact OE1-OG 3.23Å; F741-S752 VanDerWaalsContact CE2-CB 3.4Å; P742-S752 VanDerWaalsContact CA-O 3.26Å; P742-S752 WeakPolarHBondContact CA-O 3.49Å; A743-S752 PolarHBondContact N-O 3.5Å; A743-S752 PolarHBondContact O-N 3.25Å
753	L	97.1	Very high	95.3	Very high	26 Å²	26	36.1 Å²	36.1	14%	0.136	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.5	143.6	177.3	-58.6	-177.4	0	0	0	110.7	N718 F723 V733 E734 S735 E736 H755	N718-L753 WeakPolarHBondContact OD1-CA 3.37Å; F723-L753 HydrophobicContact CE2-CD2 3.64Å; F723-L753 HydrophobicContact CZ-CD2 4.33Å; V733-L753 HydrophobicContact CG1-CD1 3.77Å; V733-L753 HydrophobicContact CG1-CG 3.96Å; E734-L753 PolarHBondContact O-N 3.3Å; S735-L753 WeakPolarHBondContact CA-O 3.19Å; E736-L753 PolarHBondContact N-O 3.25Å; L753-H755 PolarHBondContact O-N 2.99Å
754	Q	96.8	Very high	95.2	Very high	6 Å²	6	37.2 Å²	37.2	3%	0.028	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-68.9	130.5	172.7	177.9	58.6	-100	0	0	110.5	N718 E736 N738 F741 D756 L759 F760	N718-Q754 PolarHBondContact ND2-O 2.86Å; N718-Q754 PolarHBondContact OD1-N 3.09Å; E736-Q754 PolarHBondContact O-OE1 3.13Å; N738-Q754 PolarHBondContact O-NE2 2.94Å; F741-Q754 HydrophobicContact CB-CB 4.19Å; Q754-D756 WeakPolarHBondContact CG-O 3.03Å; Q754-D756 PolarHBondContact OE1-O 3.18Å; Q754-L759 VanDerWaalsContact NE2-CB 3.29Å; Q754-F760 HydrophobicContact CB-CD1 3.84Å; Q754-F760 HydrophobicContact CB-CE1 3.29Å; Q754-F760 HydrophobicContact CB-CZ 3.88Å; Q754-F760 HydrophobicContact CG-CD1 3.82Å; Q754-F760 HydrophobicContact CG-CE1 3.62Å; Q754-F760 HydrophobicContact CG-CG 4.39Å; Q754-F760 HydrophobicContact CG-CZ 3.99Å
755	H	95.3	Very high	95.1	Very high	119 Å²	119	39.3 Å²	39.3	55%	0.551	22%	0.22	S	C	*	.	S	Bend	trans	-86.9	-41.4	172.2	-172.3	76	0	0	0	113.1	E736 M737 L753	E736-H755 PolarHBondContact O-N 2.81Å; M737-H755 HydrophobicContact CG-CB 4.25Å; L753-H755 PolarHBondContact O-N 2.99Å
756	D	95.3	Very high	95.1	Very high	34 Å²	34	39.6 Å²	39.6	18%	0.182	22%	0.222	C	C	.	.			trans	-106.6	115.3	-178.6	-165.9	-44.5	0	0	0	111.2	H399 M737 Q754 L758 L759	H399-D756 IonicContact NE2-OD2 3.78Å; H399-D756 PolarHBondContact NE2-OD2 2.62Å; M737-D756 HydrophobicContact CE-CB 4.26Å; M737-D756 HydrophobicContact CG-CB 4.07Å; Q754-D756 WeakPolarHBondContact CG-O 3.03Å; Q754-D756 PolarHBondContact OE1-O 3.18Å; D756-L758 PolarHBondContact O-N 3.01Å; D756-L758 VanDerWaalsContact O-N 3.11Å; D756-L758 WeakPolarHBondContact OD1-CB 3Å; D756-L758 PolarHBondContact OD1-N 2.78Å; D756-L759 HydrophobicContact CB-CD1 4.3Å; D756-L759 WeakPolarHBondContact O-CB 3.43Å; D756-L759 PolarHBondContact O-N 3.45Å
757	P	93.6	Very high	95.3	Very high	67 Å²	67	41.9 Å²	41.9	44%	0.435	23%	0.233	S	C	.	.	G	3₁₀ helix	trans	-57.5	-25.3	179.9	-25.6	34.9	0	0	0	114.9	L759 F760	P757-L759 PolarHBondContact O-N 3.47Å; P757-F760 HydrophobicContact CB-CD2 4.12Å; P757-F760 HydrophobicContact CB-CE2 3.99Å; P757-F760 VanDerWaalsContact O-CD2 3.25Å; P757-F760 WeakPolarHBondContact O-CD2 3.39Å; P757-F760 PolarHBondContact O-N 2.99Å
758	L	95.8	Very high	95.7	Very high	46 Å²	46	40.9 Å²	40.9	24%	0.241	23%	0.226	C	C	.	.	G	3₁₀ helix	trans	-68.5	-12.8	177.1	-67.9	179.6	0	0	0	113.2	N416 D756	N416-L758 HydrophobicContact CB-CD1 4.33Å; D756-L758 PolarHBondContact O-N 3.01Å; D756-L758 VanDerWaalsContact O-N 3.11Å; D756-L758 WeakPolarHBondContact OD1-CB 3Å; D756-L758 PolarHBondContact OD1-N 2.78Å
759	L	97.8	Very high	96	Very high	0 Å²	0	37.5 Å²	37.5	0%	0	21%	0.209	C	C	.	.	G	3₁₀ helix	trans	-97.7	-2	177.6	-70.8	174.9	0	0	0	113.6	H399 Y402 M737 H739 Q754 D756 P757 S761	H399-L759 HydrophobicContact CB-CD2 3.62Å; H399-L759 HydrophobicContact CB-CG 4.4Å; Y402-L759 HydrophobicContact CD1-CD2 3.67Å; Y402-L759 HydrophobicContact CD2-CD1 3.59Å; Y402-L759 HydrophobicContact CD2-CD2 4.06Å; Y402-L759 HydrophobicContact CE1-CD2 4.26Å; Y402-L759 HydrophobicContact CE2-CD1 4.17Å; Y402-L759 HydrophobicContact CG-CD1 3.91Å; Y402-L759 HydrophobicContact CG-CD2 3.56Å; Y402-L759 HydrophobicContact CG-CG 4.41Å; M737-L759 HydrophobicContact CB-CD1 3.74Å; M737-L759 HydrophobicContact CG-CD1 4.38Å; H739-L759 VanDerWaalsContact CA-O 3.25Å; H739-L759 WeakPolarHBondContact CA-O 3.21Å; H739-L759 HydrophobicContact CB-CD2 4.36Å; Q754-L759 VanDerWaalsContact NE2-CB 3.29Å; D756-L759 HydrophobicContact CB-CD1 4.3Å; D756-L759 WeakPolarHBondContact O-CB 3.43Å; D756-L759 PolarHBondContact O-N 3.45Å; P757-L759 PolarHBondContact O-N 3.47Å; L759-S761 PolarHBondContact O-N 2.9Å
760	F	97.9	Very high	96.2	Very high	23 Å²	23	39 Å²	39	10%	0.101	21%	0.213	C	C	.	.			trans	-56.7	126.4	168.7	-72.3	-50.3	0	0	0	110.3	P395 H714 R715 N718 Q754 P757	P395-F760 VanDerWaalsContact CG-O 3.26Å; P395-F760 WeakPolarHBondContact CG-O 3.47Å; H714-F760 HydrophobicContact CB-CB 3.76Å; H714-F760 HydrophobicContact CB-CD1 3.32Å; H714-F760 HydrophobicContact CB-CD2 3.77Å; H714-F760 HydrophobicContact CB-CE1 3.7Å; H714-F760 HydrophobicContact CB-CE2 4.14Å; H714-F760 HydrophobicContact CB-CG 3.34Å; H714-F760 HydrophobicContact CB-CZ 4.11Å; H714-F760 AromaticContact CD2-CD1 3.93Å; H714-F760 AromaticContact CG-CD1 3.75Å; H714-F760 AromaticContact CG-CG 3.86Å; R715-F760 HydrophobicContact CB-CE2 4.14Å; N718-F760 HydrophobicContact CB-CE1 3.91Å; N718-F760 HydrophobicContact CB-CZ 3.77Å; Q754-F760 HydrophobicContact CB-CD1 3.84Å; Q754-F760 HydrophobicContact CB-CE1 3.29Å; Q754-F760 HydrophobicContact CB-CZ 3.88Å; Q754-F760 HydrophobicContact CG-CD1 3.82Å; Q754-F760 HydrophobicContact CG-CE1 3.62Å; Q754-F760 HydrophobicContact CG-CG 4.39Å; Q754-F760 HydrophobicContact CG-CZ 3.99Å; P757-F760 HydrophobicContact CB-CD2 4.12Å; P757-F760 HydrophobicContact CB-CE2 3.99Å; P757-F760 VanDerWaalsContact O-CD2 3.25Å; P757-F760 WeakPolarHBondContact O-CD2 3.39Å; P757-F760 PolarHBondContact O-N 2.99Å
761	S	98.4	Very high	96.4	Very high	1 Å²	1	36.2 Å²	36.2	1%	0.007	20%	0.199	C	C	.	.			trans	-145.3	124.5	-168.8	-179	0	0	0	0	112.1	D431 H739 L759 A763 R771	D431-S761 WeakPolarHBondContact OD1-CA 3.41Å; H739-S761 VanDerWaalsContact O-CB 3.3Å; H739-S761 WeakPolarHBondContact O-CB 3.05Å; L759-S761 PolarHBondContact O-N 2.9Å; S761-A763 PolarHBondContact OG-N 3.36Å; S761-A763 PolarHBondContact OG-O 2.8Å; S761-R771 VanDerWaalsContact O-CZ 3.3Å; S761-R771 PolarHBondContact O-NH1 2.8Å; S761-R771 VanDerWaalsContact O-NH1 3.1Å; S761-R771 PolarHBondContact O-NH2 2.68Å
762	C	98.6	Very high	96.4	Very high	0 Å²	0	36.2 Å²	36.2	0%	0	20%	0.199	C	C	.	.	S	Bend	trans	-66.9	-41.3	165.6	-68.6	0	0	0	0	111.2	P430 D431 C698 V699 C709 R771	P430-C762 HydrophobicContact CB-CB 4.45Å; P430-C762 HydrophobicContact CG-CB 3.82Å; D431-C762 WeakPolarHBondContact OD1-CB 3.46Å; D431-C762 PolarHBondContact OD1-N 3.19Å; D431-C762 PolarHBondContact OD2-N 3.4Å; C698-C762 PolarHBondContact N-O 3.05Å; V699-C762 HydrophobicContact CG2-CB 3.92Å; V699-C762 PolarHBondContact N-O 3.02Å; C709-C762 HydrophobicContact CB-CB 3.64Å; C709-C762 WeakPolarHBondContact CB-SG 3.21Å; C709-C762 VanDerWaalsContact SG-CA 3.51Å; C709-C762 WeakPolarHBondContact SG-CB 3.5Å; C709-C762 CovalentContact SG-SG 2.03Å; C709-C762 PolarHBondContact SG-SG 2.95Å; C762-R771 PolarHBondContact O-NH1 3.17Å
763	A	97.4	Very high	96.5	Very high	9 Å²	9	36.2 Å²	36.2	7%	0.074	20%	0.199	C	C	.	.	S	Bend	trans	-69.7	160.9	176.3	0	0	0	0	0	112.6	E394 D431 S761 R771	E394-A763 HydrophobicContact CB-CB 4.47Å; E394-A763 HydrophobicContact CG-CB 3.73Å; D431-A763 WeakPolarHBondContact OD2-CB 3.2Å; D431-A763 PolarHBondContact OD2-N 3.39Å; S761-A763 PolarHBondContact OG-N 3.36Å; S761-A763 PolarHBondContact OG-O 2.8Å; A763-R771 PolarHBondContact O-NH1 3.01Å
764	G	95.6	Very high	96.5	Very high	24 Å²	24	35 Å²	35	25%	0.247	19%	0.193	C	C	.	.			trans	95.4	137.6	178.7	0	0	0	0	0	113.1	S697 L740 R771	S697-G764 WeakPolarHBondContact CA-O 3.48Å; S697-G764 VanDerWaalsContact CB-O 3.31Å; S697-G764 WeakPolarHBondContact CB-O 3.32Å; L740-G764 VanDerWaalsContact CD2-C 3.49Å; G764-R771 PolarHBondContact O-NH1 3.16Å
765	S	94.9	Very high	96.6	Very high	62 Å²	62	34.7 Å²	34.7	43%	0.434	19%	0.192	S	C	.	.			trans	-139.9	156.2	174.5	73.9	0	0	0	0	110.8	G695	G695-S765 WeakPolarHBondContact O-CB 3.45Å; G695-S765 PolarHBondContact O-OG 3.38Å
766	S	94.8	Very high	96.7	Very high	15 Å²	15	29.6 Å²	29.6	11%	0.105	17%	0.167	C	C	.	.			trans	-145	137.9	178.5	167.4	0	0	0	0	109.6	G695 K768 Y769	G695-S766 WeakPolarHBondContact CA-O 3.48Å; G695-S766 PolarHBondContact N-O 3.12Å; S766-K768 PolarHBondContact O-N 2.82Å; S766-K768 PolarHBondContact OG-N 3.33Å; S766-K768 VanDerWaalsContact OG-N 3.14Å; S766-Y769 PolarHBondContact O-N 2.79Å
767	P	95.4	Very high	96.7	Very high	103 Å²	103	28.6 Å²	28.6	67%	0.669	16%	0.162	S	C	*	.	T	Hydrogen-bonded Turn	trans	-65.7	-16	174.9	29.5	-35.6	0	0	0	112.6	Q694	Q694-P767 WeakPolarHBondContact CB-O 3.37Å
768	K	94.4	Very high	96.9	Very high	132 Å²	132	29 Å²	29	57%	0.574	16%	0.156	S	C	*	.	T	Hydrogen-bonded Turn	trans	-80.7	-33.5	179.9	-57.8	-174.9	177.7	-173.4	0	112.8	Q694 S766	Q694-K768 PolarHBondContact NE2-O 3.28Å; S766-K768 PolarHBondContact O-N 2.82Å; S766-K768 PolarHBondContact OG-N 3.33Å; S766-K768 VanDerWaalsContact OG-N 3.14Å
769	Y	95.3	Very high	96.8	Very high	41 Å²	41	29.6 Å²	29.6	16%	0.161	16%	0.155	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.9	136.4	-161.6	-62.6	-44.6	0	0	0	112.6	L740 F741 A743 F744 S766	L740-Y769 HydrophobicContact CB-CD2 4.36Å; L740-Y769 HydrophobicContact CD1-CD2 3.99Å; L740-Y769 HydrophobicContact CD1-CE2 4.23Å; F741-Y769 HydrophobicContact CE1-CE2 4.16Å; A743-Y769 HydrophobicContact CB-CD1 4.3Å; A743-Y769 HydrophobicContact CB-CG 4.04Å; F744-Y769 WeakPolarHBondContact O-CA 3.21Å; S766-Y769 PolarHBondContact O-N 2.79Å
770	Q	97	Very high	96.5	Very high	51 Å²	51	39.5 Å²	39.5	24%	0.238	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.8	125.1	155.9	-65.6	177.9	-11.5	0	0	107.5	S692 Q694 A743 F744	S692-Q770 WeakPolarHBondContact O-CB 3.48Å; Q694-Q770 HydrophobicContact CG-CG 3.95Å; A743-Q770 CarbonylContact C-O 3.56Å; A743-Q770 WeakPolarHBondContact CA-O 3.19Å; F744-Q770 PolarHBondContact N-O 2.8Å; F744-Q770 PolarHBondContact O-N 2.79Å
771	R	97.9	Very high	96.2	Very high	1 Å²	1	39.7 Å²	39.7	0%	0.004	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.1	142.4	-174.7	-56.5	-172.7	67.9	-149	-14.1	110.5	T691 S692 H739 L740 S761 C762 A763 G764 C773	T691-R771 CarbonylContact C-O 3.54Å; T691-R771 WeakPolarHBondContact CA-O 3.13Å; S692-R771 PolarHBondContact N-O 3.17Å; S692-R771 WeakPolarHBondContact OG-CB 3.13Å; S692-R771 PolarHBondContact OG-N 3.19Å; H739-R771 PolarHBondContact O-NH2 2.04Å; L740-R771 PolarHBondContact O-NE 2.69Å; L740-R771 PolarHBondContact O-NH2 3.35Å; S761-R771 VanDerWaalsContact O-CZ 3.3Å; S761-R771 PolarHBondContact O-NH1 2.8Å; S761-R771 VanDerWaalsContact O-NH1 3.1Å; S761-R771 PolarHBondContact O-NH2 2.68Å; C762-R771 PolarHBondContact O-NH1 3.17Å; A763-R771 PolarHBondContact O-NH1 3.01Å; G764-R771 PolarHBondContact O-NH1 3.16Å; R771-C773 PolarHBondContact O-N 2.81Å; R771-C773 PolarHBondContact O-SG 2.92Å
772	L	97.9	Very high	96.2	Very high	0 Å²	0	39.7 Å²	39.7	0%	0	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-82	115.2	167.8	-93.5	62.4	0	0	0	108	L689 T691 I717 A722 F723 L726 L728 P742	L689-L772 HydrophobicContact CD1-CB 4.37Å; L689-L772 HydrophobicContact CD1-CG 4.45Å; T691-L772 HydrophobicContact CG2-CD1 4.48Å; I717-L772 HydrophobicContact CD1-CB 4.19Å; A722-L772 HydrophobicContact CB-CD2 3.85Å; F723-L772 HydrophobicContact CD1-CD1 3.51Å; F723-L772 HydrophobicContact CD1-CD2 3.93Å; F723-L772 HydrophobicContact CD1-CG 4.38Å; F723-L772 HydrophobicContact CD2-CD2 3.85Å; F723-L772 HydrophobicContact CE1-CD1 3.41Å; F723-L772 VanDerWaalsContact CE1-CD1 3.41Å; F723-L772 HydrophobicContact CE1-CD2 3.93Å; F723-L772 HydrophobicContact CE1-CG 4.27Å; F723-L772 HydrophobicContact CE2-CD2 3.83Å; F723-L772 HydrophobicContact CG-CD1 4.29Å; F723-L772 HydrophobicContact CG-CD2 3.89Å; F723-L772 HydrophobicContact CZ-CD1 4.11Å; F723-L772 HydrophobicContact CZ-CD2 3.9Å; L726-L772 HydrophobicContact CD1-CD1 4.12Å; L726-L772 HydrophobicContact CD1-CD2 4.08Å; L726-L772 HydrophobicContact CD1-CG 3.63Å; L728-L772 HydrophobicContact CD1-CD1 3.99Å; P742-L772 HydrophobicContact CB-CB 4.33Å; P742-L772 HydrophobicContact CG-CB 3.94Å; P742-L772 PolarHBondContact O-N 2.77Å
773	C	98.3	Very high	96.1	Very high	0 Å²	0	39.8 Å²	39.8	0%	0	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.3	113.7	-169.5	-62.4	0	0	0	0	110.6	L690 C698 R771 C775	L690-C773 HydrophobicContact CB-CB 4.45Å; L690-C773 PolarHBondContact N-O 3.49Å; L690-C773 PolarHBondContact O-N 2.88Å; C698-C773 WeakPolarHBondContact CA-SG 3.18Å; C698-C773 HydrophobicContact CB-CB 3.59Å; C698-C773 WeakPolarHBondContact CB-SG 3.35Å; C698-C773 WeakPolarHBondContact SG-CA 3.35Å; C698-C773 WeakPolarHBondContact SG-CB 3.29Å; C698-C773 CovalentContact SG-SG 2.05Å; C698-C773 PolarHBondContact SG-SG 3.39Å; R771-C773 PolarHBondContact O-N 2.81Å; R771-C773 PolarHBondContact O-SG 2.92Å; C773-C775 PolarHBondContact O-N 3.47Å
774	P	97.8	Very high	96.1	Very high	0 Å²	0	39.8 Å²	39.8	0%	0	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-80.9	106.6	172.3	29	-23.2	0	0	0	108.4	L687 C709 E710 L713 H714 I717	L687-P774 HydrophobicContact CD1-CB 3.71Å; C709-P774 WeakPolarHBondContact CA-O 3.38Å; E710-P774 PolarHBondContact N-O 3.19Å; E710-P774 WeakPolarHBondContact O-CG 3.33Å; L713-P774 HydrophobicContact CB-CB 3.9Å; H714-P774 HydrophobicContact CB-CG 4.38Å; H714-P774 VanDerWaalsContact CE1-CG 3.4Å; H714-P774 WeakPolarHBondContact CE1-CG 3.26Å; H714-P774 WeakPolarHBondContact ND1-CG 3.26Å; H714-P774 WeakPolarHBondContact NE2-CD 3.09Å; I717-P774 HydrophobicContact CD1-CB 3.79Å; I717-P774 HydrophobicContact CD1-CG 3.69Å
775	C	98.2	Very high	96.2	Very high	0 Å²	0	38.6 Å²	38.6	0%	0	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.4	165.6	173.7	-46.4	0	0	0	0	110.5	R688 C702 L707 I708 C773	R688-C775 HydrophobicContact CB-CB 4.09Å; R688-C775 PolarHBondContact N-O 3.19Å; R688-C775 WeakPolarHBondContact O-CA 3.15Å; R688-C775 WeakPolarHBondContact O-CB 2.98Å; R688-C775 PolarHBondContact O-N 3.29Å; C702-C775 WeakPolarHBondContact CA-SG 3.45Å; C702-C775 HydrophobicContact CB-CB 3.73Å; C702-C775 WeakPolarHBondContact CB-SG 3.49Å; C702-C775 VanDerWaalsContact SG-CA 3.58Å; C702-C775 WeakPolarHBondContact SG-CB 3.26Å; C702-C775 CovalentContact SG-SG 2.02Å; C702-C775 PolarHBondContact SG-SG 2.85Å; L707-C775 HydrophobicContact CB-CB 3.89Å; L707-C775 HydrophobicContact CD1-CB 3.82Å; I708-C775 CarbonylContact O-C 3.55Å; I708-C775 VanDerWaalsContact O-CA 3.27Å; I708-C775 WeakPolarHBondContact O-CA 2.99Å; C773-C775 PolarHBondContact O-N 3.47Å
776	R	97.4	Very high	96.3	Very high	12 Å²	12	35.7 Å²	35.7	5%	0.045	17%	0.174	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142	160.2	168.4	67.7	173	176.1	71.5	2.1	111.4	A686 L707 I708 E710 V783 A784	A686-R776 HydrophobicContact CB-CB 4.24Å; A686-R776 WeakPolarHBondContact O-CA 3.19Å; L707-R776 WeakPolarHBondContact CB-O 3.29Å; I708-R776 HydrophobicContact CG2-CG 3.67Å; I708-R776 PolarHBondContact N-O 2.77Å; I708-R776 PolarHBondContact O-N 3.42Å; E710-R776 HydrophobicContact CB-CB 4.2Å; E710-R776 HydrophobicContact CB-CG 3.86Å; E710-R776 HydrophobicContact CG-CG 4.43Å; E710-R776 VanDerWaalsContact OE2-CD 3.28Å; E710-R776 WeakPolarHBondContact OE2-CD 3.33Å; E710-R776 IonicContact OE2-CZ 3.59Å; E710-R776 IonicContact OE2-NE 3.97Å; E710-R776 PolarHBondContact OE2-NE 3.46Å; E710-R776 IonicContact OE2-NH2 2.78Å; R776-V783 PolarHBondContact NH1-O 2.79Å; R776-V783 VanDerWaalsContact NH1-O 3.1Å; R776-V783 PolarHBondContact NH2-O 3.31Å; R776-A784 PolarHBondContact NH2-O 2.77Å
777	D	96.5	Very high	96.3	Very high	14 Å²	14	43.5 Å²	43.5	8%	0.075	20%	0.202	C	C	.	.			trans	-72.7	170.2	166.3	69.8	-63.3	0	0	0	111.5	L707 C786 R787	L707-D777 HydrophobicContact CD2-CB 4.37Å; D777-C786 WeakPolarHBondContact O-CA 3.29Å; D777-C786 WeakPolarHBondContact O-CB 3.31Å; D777-R787 VanDerWaalsContact OD2-CB 3.27Å; D777-R787 WeakPolarHBondContact OD2-CB 3.28Å; D777-R787 WeakPolarHBondContact OD2-CD 3.36Å; D777-R787 WeakPolarHBondContact OD2-CG 3.33Å; D777-R787 PolarHBondContact OD2-N 3.4Å; D777-R787 IonicContact OD2-NE 3.33Å
778	Y	96.6	Very high	96.1	Very high	76 Å²	76	43.7 Å²	43.7	30%	0.298	20%	0.197	S	C	.	.			trans	-143.9	158.9	174.4	60.7	-87.4	0	0	0	111.4	G706 I708 V783 L785	G706-Y778 WeakPolarHBondContact O-CE1 3.39Å; I708-Y778 HydrophobicContact CG2-CD1 4.35Å; Y778-V783 HydrophobicContact CD1-CG2 4.35Å; Y778-V783 HydrophobicContact CD2-CB 4.33Å; Y778-V783 HydrophobicContact CD2-CG2 4.12Å; Y778-V783 HydrophobicContact CG-CG2 4.02Å; Y778-L785 CarbonylContact C-O 3.5Å; Y778-L785 VanDerWaalsContact CA-O 3.29Å; Y778-L785 WeakPolarHBondContact CA-O 3.08Å
779	R	95.3	Very high	96.1	Very high	57 Å²	57	37.6 Å²	37.6	22%	0.215	17%	0.171	C	C	.	.	B	Isolated β-bridge	trans	-77.9	135.6	175.7	-66.7	175.3	74.2	-129	18.1	109.1	E628 G781 Q782 L785 C786 R787	E628-R779 IonicContact OE1-CZ 2.74Å; E628-R779 IonicContact OE1-NH1 3.54Å; E628-R779 PolarHBondContact OE1-NH1 2.76Å; E628-R779 IonicContact OE2-CZ 2.71Å; E628-R779 IonicContact OE2-NH1 3.72Å; E628-R779 PolarHBondContact OE2-NH1 3.35Å; E628-R779 IonicContact OE2-NH2 3.09Å; E628-R779 PolarHBondContact OE2-NH2 2.88Å; E628-R779 VanDerWaalsContact OE2-NH2 3.17Å; R779-G781 PolarHBondContact O-N 3.41Å; R779-G781 VanDerWaalsContact O-N 3.15Å; R779-Q782 HydrophobicContact CB-CB 4.2Å; R779-Q782 CarbonylContact O-C 3.57Å; R779-Q782 VanDerWaalsContact O-C 3.31Å; R779-Q782 PolarHBondContact O-N 3.16Å; R779-L785 PolarHBondContact N-O 2.79Å; R779-C786 WeakPolarHBondContact CD-O 3.49Å; R779-R787 HydrophobicContact CG-CG 4.4Å
780	K	90.4	Very high	95.8	Very high	209 Å²	209	39.7 Å²	39.7	91%	0.909	18%	0.184	S	C	*	.	T	Hydrogen-bonded Turn	trans	-57.6	122.6	-179.4	-173.7	176.6	-179	178.2	0	109.9	Q782	K780-Q782 VanDerWaalsContact C-N 3.3Å
781	G	92.4	Very high	95.7	Very high	27 Å²	27	39.1 Å²	39.1	28%	0.278	18%	0.181	S	C	.	.	T	Hydrogen-bonded Turn	trans	75.4	11.1	-176.7	0	0	0	0	0	115	Y619 E620 R779	Y619-G781 CarbonylContact C-O 3.45Å; E620-G781 WeakPolarHBondContact CA-O 3.43Å; E620-G781 WeakPolarHBondContact CB-O 3.28Å; E620-G781 WeakPolarHBondContact CG-O 3.16Å; E620-G781 PolarHBondContact N-O 2.86Å; R779-G781 PolarHBondContact O-N 3.41Å; R779-G781 VanDerWaalsContact O-N 3.15Å
782	Q	96.9	Very high	95.6	Very high	0 Å²	0	41.1 Å²	41.1	0%	0	19%	0.191	C	C	.	.	B	Isolated β-bridge	trans	-145	77.7	173	-175.6	77.9	-90.7	0	0	109.7	Y619 G625 E628 R779 K780 A784 L785	Y619-Q782 HydrophobicContact CD1-CB 4.33Å; G625-Q782 PolarHBondContact O-NE2 3.38Å; E628-Q782 PolarHBondContact OE1-NE2 2.94Å; R779-Q782 HydrophobicContact CB-CB 4.2Å; R779-Q782 CarbonylContact O-C 3.57Å; R779-Q782 VanDerWaalsContact O-C 3.31Å; R779-Q782 PolarHBondContact O-N 3.16Å; K780-Q782 VanDerWaalsContact C-N 3.3Å; Q782-A784 PolarHBondContact O-N 3.04Å; Q782-L785 HydrophobicContact CG-CB 4.05Å; Q782-L785 HydrophobicContact CG-CD1 3.86Å; Q782-L785 HydrophobicContact CG-CG 3.87Å; Q782-L785 PolarHBondContact O-N 2.87Å
783	V	96.9	Very high	95.5	Very high	2 Å²	2	43.4 Å²	43.4	1%	0.012	20%	0.201	C	C	.	.	T	Hydrogen-bonded Turn	trans	-67.9	-25	-171.6	73.1	0	0	0	0	113.3	P427 F434 Y584 E620 I708 R776 Y778 L785	P427-V783 HydrophobicContact CB-CG1 3.26Å; P427-V783 HydrophobicContact CG-CG1 3.55Å; F434-V783 HydrophobicContact CD1-CG1 4.13Å; Y584-V783 HydrophobicContact CE1-CB 4.43Å; Y584-V783 HydrophobicContact CE1-CG2 4.16Å; E620-V783 WeakPolarHBondContact OE2-CG1 3.27Å; E620-V783 PolarHBondContact OE2-N 3.4Å; I708-V783 HydrophobicContact CD1-CG2 3.71Å; R776-V783 PolarHBondContact NH1-O 2.79Å; R776-V783 VanDerWaalsContact NH1-O 3.1Å; R776-V783 PolarHBondContact NH2-O 3.31Å; Y778-V783 HydrophobicContact CD1-CG2 4.35Å; Y778-V783 HydrophobicContact CD2-CB 4.33Å; Y778-V783 HydrophobicContact CD2-CG2 4.12Å; Y778-V783 HydrophobicContact CG-CG2 4.02Å; V783-L785 PolarHBondContact O-N 3.48Å
784	A	97.8	Very high	95.3	Very high	9 Å²	9	45.9 Å²	45.9	7%	0.074	21%	0.213	C	C	.	.	T	Hydrogen-bonded Turn	trans	-60.5	-24.9	176.5	0	0	0	0	0	114	F434 R629 Y633 R776 Q782	F434-A784 HydrophobicContact CD1-CB 4.08Å; R629-A784 HydrophobicContact CG-CB 3.73Å; Y633-A784 VanDerWaalsContact OH-CB 3.27Å; Y633-A784 WeakPolarHBondContact OH-CB 3.36Å; R776-A784 PolarHBondContact NH2-O 2.77Å; Q782-A784 PolarHBondContact O-N 3.04Å
785	L	97.9	Very high	95.1	Very high	0 Å²	0	48.8 Å²	48.8	0%	0	23%	0.226	C	C	.	.	S	Bend	trans	-121.4	127.7	-170.7	-54.7	-178.7	0	0	0	110.9	E628 A632 W681 Y778 R779 Q782 V783 C789 L790	E628-L785 HydrophobicContact CG-CD1 4.05Å; A632-L785 HydrophobicContact CB-CD1 4.09Å; A632-L785 HydrophobicContact CB-CD2 3.56Å; W681-L785 HydrophobicContact CH2-CD2 4.39Å; W681-L785 HydrophobicContact CZ2-CD2 4.06Å; Y778-L785 CarbonylContact C-O 3.5Å; Y778-L785 VanDerWaalsContact CA-O 3.29Å; Y778-L785 WeakPolarHBondContact CA-O 3.08Å; R779-L785 PolarHBondContact N-O 2.79Å; Q782-L785 HydrophobicContact CG-CB 4.05Å; Q782-L785 HydrophobicContact CG-CD1 3.86Å; Q782-L785 HydrophobicContact CG-CG 3.87Å; Q782-L785 PolarHBondContact O-N 2.87Å; V783-L785 PolarHBondContact O-N 3.48Å; L785-C789 HydrophobicContact CB-CB 4.14Å; L785-C789 HydrophobicContact CD2-CB 4.41Å; L785-L790 HydrophobicContact CD1-CD1 4.16Å; L785-L790 HydrophobicContact CD1-CD2 3.88Å; L785-L790 HydrophobicContact CD1-CG 3.86Å
786	C	96.9	Very high	94.9	Very high	0 Å²	0	52.1 Å²	52.1	0%	0	24%	0.242	C	C	.	.			trans	-65	167.7	164	73	0	0	0	0	111.3	A686 D777 R779 D788 C789	A686-C786 HydrophobicContact CB-CB 4.06Å; D777-C786 WeakPolarHBondContact O-CA 3.29Å; D777-C786 WeakPolarHBondContact O-CB 3.31Å; R779-C786 WeakPolarHBondContact CD-O 3.49Å; C786-D788 PolarHBondContact O-N 3.42Å; C786-C789 HydrophobicContact CB-CB 4.12Å; C786-C789 WeakPolarHBondContact CB-SG 3.23Å; C786-C789 PolarHBondContact N-SG 2.82Å; C786-C789 WeakPolarHBondContact O-CB 3.43Å; C786-C789 PolarHBondContact O-N 2.97Å; C786-C789 VanDerWaalsContact SG-CA 3.59Å; C786-C789 WeakPolarHBondContact SG-CB 3.27Å; C786-C789 PolarHBondContact SG-N 2.87Å; C786-C789 CovalentContact SG-SG 2.05Å; C786-C789 PolarHBondContact SG-SG 2.94Å
787	R	94.5	Very high	94.8	Very high	180 Å²	180	54.9 Å²	54.9	68%	0.679	26%	0.256	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.5	-34.2	178.5	-73.8	166.4	-167.4	-171.1	3.8	113.1	D777 R779	D777-R787 VanDerWaalsContact OD2-CB 3.27Å; D777-R787 WeakPolarHBondContact OD2-CB 3.28Å; D777-R787 WeakPolarHBondContact OD2-CD 3.36Å; D777-R787 WeakPolarHBondContact OD2-CG 3.33Å; D777-R787 PolarHBondContact OD2-N 3.4Å; D777-R787 IonicContact OD2-NE 3.33Å; R779-R787 HydrophobicContact CG-CG 4.4Å
788	D	91.7	Very high	94.6	Very high	107 Å²	107	58.1 Å²	58.1	57%	0.572	27%	0.269	S	S	*	.	T	Hydrogen-bonded Turn	trans	-105.3	21.8	-175.6	-55.4	-32.6	0	0	0	112.9	P683 C786	P683-D788 HydrophobicContact CG-CB 3.99Å; C786-D788 PolarHBondContact O-N 3.42Å
789	C	93.8	Very high	94.5	Very high	3 Å²	3	56.6 Å²	56.6	2%	0.02	27%	0.267	C	S	.	.			trans	-95.7	-1.5	-173.5	-79.6	0	0	0	0	114.8	W681 L785 C786	W681-C789 HydrophobicContact CZ2-CB 4.32Å; W681-C789 PolarHBondContact NE1-O 2.87Å; W681-C789 VanDerWaalsContact NE1-O 3.07Å; L785-C789 HydrophobicContact CB-CB 4.14Å; L785-C789 HydrophobicContact CD2-CB 4.41Å; C786-C789 HydrophobicContact CB-CB 4.12Å; C786-C789 WeakPolarHBondContact CB-SG 3.23Å; C786-C789 PolarHBondContact N-SG 2.82Å; C786-C789 WeakPolarHBondContact O-CB 3.43Å; C786-C789 PolarHBondContact O-N 2.97Å; C786-C789 VanDerWaalsContact SG-CA 3.59Å; C786-C789 WeakPolarHBondContact SG-CB 3.27Å; C786-C789 PolarHBondContact SG-N 2.87Å; C786-C789 CovalentContact SG-SG 2.05Å; C786-C789 PolarHBondContact SG-SG 2.94Å
790	L	88.9	Confident	94.4	Very high	85 Å²	85	56.5 Å²	56.5	45%	0.445	27%	0.272	S	S	.	.			trans	-102.9	0	-176.2	-86.5	167.4	0	0	0	114.2	E628 A632 L785	E628-L790 VanDerWaalsContact CD-CD1 3.49Å; E628-L790 HydrophobicContact CG-CD1 3.73Å; E628-L790 HydrophobicContact CG-CD2 3.53Å; E628-L790 HydrophobicContact CG-CG 4.23Å; E628-L790 VanDerWaalsContact OE2-CD1 3.26Å; E628-L790 WeakPolarHBondContact OE2-CD1 3.18Å; A632-L790 HydrophobicContact CB-CD2 4.1Å; L785-L790 HydrophobicContact CD1-CD1 4.16Å; L785-L790 HydrophobicContact CD1-CD2 3.88Å; L785-L790 HydrophobicContact CD1-CG 3.86Å

Retrieved 790 of 790 residues in 227.1 ms (Link to these results)

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