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Protein disulfide-isomerase A4

AlphaFold DB , UniProt , Accession P13667, Species HUMAN (Homo sapiens, Human), Gene PDIA4, Length 645 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	35.1	Very low	32.3	Very low	239 Å²	239	178 Å²	178	100%	1.177	87%	0.873	S	S	*	*				0	118.5	0	-70.6	163	82.4	0	0	107.8
2	R	29.5	Very low	31.7	Very low	240 Å²	240	175.5 Å²	175.5	91%	0.906	87%	0.865	S	S	*	*			trans	-72.6	141	171.3	-87.6	177.8	169.6	173.6	-1.7	109.1
3	P	40.9	Very low	31.5	Very low	123 Å²	123	176.4 Å²	176.4	80%	0.799	87%	0.874	S	S	*	*			trans	-114.7	133.1	131.5	23.1	-9.1	0	0	0	110.8
4	R	36.7	Very low	31.5	Very low	236 Å²	236	169.1 Å²	169.1	89%	0.891	87%	0.867	S	S	*	*			trans	-39.3	126.3	171.8	-67.4	157.5	167.7	176.6	-6.3	112.3
5	K	32.9	Very low	31.1	Very low	196 Å²	196	168.9 Å²	168.9	85%	0.852	87%	0.867	S	S	*	*				47.9	96.5	87.6	-73.5	-165.3	178.2	-169.5	0	113.7
6	A	35.1	Very low	31.1	Very low	101 Å²	101	167.8 Å²	167.8	84%	0.835	87%	0.869	S	S	*	*			trans	-130.1	94.2	153.8	0	0	0	0	0	106.1
7	F	28.3	Very low	30.9	Very low	192 Å²	192	168.4 Å²	168.4	84%	0.842	87%	0.867	S	S	*	*			trans	-154.7	139	-177.1	-120.7	-64.9	0	0	0	108
8	L	28.7	Very low	30.8	Very low	142 Å²	142	167.7 Å²	167.7	74%	0.743	87%	0.865	S	S	*	*			trans	73.2	101.8	168.1	-77.4	95.2	0	0	0	117.2
9	L	28.3	Very low	30.5	Very low	161 Å²	161	167.3 Å²	167.3	84%	0.843	86%	0.863	S	S	*	*				-174.9	120.2	113.5	-104.5	138.8	0	0	0	109.1
10	L	31.6	Very low	30.3	Very low	184 Å²	184	162.9 Å²	162.9	96%	0.963	85%	0.853	S	S	*	*			trans	-178.9	92.6	144.9	-95.9	161.7	0	0	0	107.1
11	L	27.9	Very low	30.1	Very low	144 Å²	144	161.7 Å²	161.7	75%	0.754	85%	0.852	S	S	*	*			trans	-116.7	135	173.2	-112.6	159.1	0	0	0	106
12	L	25.8	Very low	29.7	Very low	148 Å²	148	155.1 Å²	155.1	78%	0.775	84%	0.835	S	S	*	*			trans	80.6	111.4	151.6	-56.5	163.4	0	0	0	118
13	L	28.6	Very low	29.5	Very low	187 Å²	187	146.7 Å²	146.7	98%	0.979	82%	0.823	S	S	*	*			trans	170.1	133.9	143.5	-89.6	154	0	0	0	105.6
14	G	32	Very low	28.8	Very low	75 Å²	75	145.3 Å²	145.3	77%	0.773	82%	0.823	S	S	*	*			cis	-165.2	157.8	2.7	0	0	0	0	0	108.2
15	L	25.4	Very low	28.3	Very low	166 Å²	166	143.3 Å²	143.3	87%	0.869	82%	0.823	S	S	*	*			trans	-129.9	107.7	-175.7	-126.6	158.7	0	0	0	105.1
16	V	30.7	Very low	28	Very low	150 Å²	150	137.5 Å²	137.5	91%	0.909	82%	0.819	S	S	*	*			trans	-148	113.7	159	-177.5	0	0	0	0	108.7
17	Q	27.6	Very low	27.7	Very low	178 Å²	178	138.4 Å²	138.4	83%	0.832	82%	0.816	S	S	*	*			trans	-128	137.1	160.3	-88.4	-174.3	-20.5	0	0	106.7
18	L	29.2	Very low	27.8	Very low	157 Å²	157	137.6 Å²	137.6	82%	0.822	82%	0.821	S	S	*	*			trans	173.2	115.9	146.6	-93.9	139.8	0	0	0	105.7
19	L	24.5	Very low	27.6	Very low	159 Å²	159	139 Å²	139	83%	0.832	82%	0.824	S	S	*	*				58.4	133.4	79	-75.7	168.4	0	0	0	110.9
20	A	27.3	Very low	27.5	Very low	80 Å²	80	138.4 Å²	138.4	66%	0.661	82%	0.821	S	S	*	*			cis	-175	142.3	28.9	0	0	0	0	0	106.6
21	V	25.5	Very low	27.3	Very low	137 Å²	137	134.8 Å²	134.8	83%	0.83	81%	0.811	S	S	*	*				98.9	138.2	93.5	165.6	0	0	0	0	115.6
22	A	26.6	Very low	27.2	Very low	101 Å²	101	132.7 Å²	132.7	84%	0.835	81%	0.809	S	S	*	*			trans	78.4	140.5	157.6	0	0	0	0	0	117.2
23	G	26.7	Very low	27.3	Very low	63 Å²	63	132.6 Å²	132.6	65%	0.649	81%	0.809	S	S	*	*			cis	-169.8	147.4	2.4	0	0	0	0	0	106.9
24	A	25.1	Very low	27.2	Very low	95 Å²	95	134.4 Å²	134.4	79%	0.785	80%	0.803	S	S	*	*				60.1	131.8	99.2	0	0	0	0	0	112.5
25	E	26	Very low	26.9	Very low	194 Å²	194	139.2 Å²	139.2	91%	0.907	81%	0.805	S	S	*	*			cis	179.6	156.5	15.6	-112.8	171.7	171.4	0	0	105.9
26	G	27.8	Very low	27.2	Very low	74 Å²	74	138.8 Å²	138.8	76%	0.763	80%	0.804	S	S	*	*			trans	103.5	107.8	147	0	0	0	0	0	119
27	P	27.9	Very low	27	Very low	119 Å²	119	135.7 Å²	135.7	77%	0.773	79%	0.794	S	S	*	*			trans	-102	131.6	161.1	34.5	-22.7	0	0	0	110.4
28	D	30.2	Very low	27	Very low	175 Å²	175	133.9 Å²	133.9	94%	0.936	79%	0.788	S	S	*	*			trans	-149.3	136.4	155.1	-94.8	-35.1	0	0	0	110.9
29	E	25.8	Very low	26.9	Very low	173 Å²	173	133.7 Å²	133.7	81%	0.808	78%	0.783	S	S	*	*			trans	-77	162.9	-170.1	-63.8	174.3	142.4	0	0	113.6
30	D	25.5	Very low	27	Very low	147 Å²	147	132.8 Å²	132.8	79%	0.786	78%	0.779	S	S	*	*			trans	71.3	102.5	153.1	-71.2	-16.8	0	0	0	120.1
31	S	27.6	Very low	27.1	Very low	108 Å²	108	138.2 Å²	138.2	76%	0.755	79%	0.791	S	S	*	*				152.9	122.5	94.1	58.7	0	0	0	0	113.8
32	S	25.7	Very low	27.5	Very low	100 Å²	100	140.8 Å²	140.8	70%	0.699	79%	0.794	S	S	*	*			trans	46.6	126.8	141.7	68.9	0	0	0	0	122.4
33	N	26.8	Very low	27.6	Very low	147 Å²	147	145.1 Å²	145.1	79%	0.786	80%	0.797	S	S	*	*			trans	96	121	135.6	-84.3	-20.9	0	0	0	121.1
34	R	28.3	Very low	27.9	Very low	224 Å²	224	151.2 Å²	151.2	85%	0.845	81%	0.808	S	S	*	*			trans	89.8	100.2	142.2	-75.1	177.8	168.2	178.5	-4.4	119.1
35	E	24.5	Very low	28.1	Very low	177 Å²	177	154.9 Å²	154.9	83%	0.827	81%	0.809	S	S	*	*				23	110.6	115.5	-65.3	179.8	164.8	0	0	117.8
36	N	31.7	Very low	28.3	Very low	157 Å²	157	155.1 Å²	155.1	84%	0.84	81%	0.81	S	S	*	*			trans	164.5	105.6	132.7	-83.5	-24.4	0	0	0	106.7
37	A	27.5	Very low	28.5	Very low	84 Å²	84	159.1 Å²	159.1	69%	0.694	81%	0.809	S	S	*	*				81.6	132.2	86.1	0	0	0	0	0	113.2
38	I	27.3	Very low	29	Very low	141 Å²	141	159 Å²	159	72%	0.723	80%	0.802	S	S	*	*			trans	93.9	97.1	159.4	-58.1	171.7	0	0	0	113.9
39	E	26.3	Very low	29.6	Very low	152 Å²	152	157.4 Å²	157.4	71%	0.71	79%	0.793	S	S	*	*				77.1	109.3	97.6	-69.6	169.7	-167.4	0	0	109.7
40	D	27.4	Very low	30.5	Very low	140 Å²	140	155.7 Å²	155.7	75%	0.749	79%	0.79	S	S	*	*				106.7	124.4	79.6	-79.3	-13.8	0	0	0	106
41	E	30	Very low	31.4	Very low	194 Å²	194	155.9 Å²	155.9	91%	0.907	79%	0.786	S	S	*	*			trans	155.7	75.4	155.3	-88.4	175.4	-154.7	0	0	108.6
42	E	32.8	Very low	32.3	Very low	192 Å²	192	158 Å²	158	90%	0.897	78%	0.784	S	S	*	*			trans	-132.6	117.2	152.9	-71	-168.8	177.8	0	0	107.8	E44	E42-E44 PolarHBondContact O-N 3.25Å
43	E	29.1	Very low	33.6	Very low	192 Å²	192	160.6 Å²	160.6	90%	0.897	79%	0.785	S	S	*	*			trans	-65	116.9	-174	-63.3	173.8	153.6	0	0	109.6	E45	E43-E45 PolarHBondContact O-N 3.05Å
44	E	32	Very low	35.4	Very low	190 Å²	190	157.8 Å²	157.8	89%	0.888	77%	0.77	S	S	*	*			trans	-72.4	114	168.7	-71	-175.1	171.6	0	0	108.5	E42 E46	E42-E44 PolarHBondContact O-N 3.25Å; E44-E46 PolarHBondContact O-N 3.4Å
45	E	30.9	Very low	37.7	Very low	172 Å²	172	151.7 Å²	151.7	80%	0.804	76%	0.755	S	S	*	*			trans	-69.7	111.5	169.7	-67.1	-176.4	159.9	0	0	108.5	E43 E47	E43-E45 PolarHBondContact O-N 3.05Å; E45-E47 PolarHBondContact O-N 3.48Å
46	E	29.3	Very low	40.5	Very low	199 Å²	199	147.3 Å²	147.3	93%	0.93	74%	0.736	S	S	*	*			trans	-69.3	91.7	167.8	-67.5	-171.1	-178.1	0	0	109	E44	E44-E46 PolarHBondContact O-N 3.4Å
47	E	32.3	Very low	43.3	Very low	159 Å²	159	145.2 Å²	145.2	74%	0.743	72%	0.722	S	S	*	*			trans	-106.7	105.1	163.4	-72.5	-165	164.3	0	0	109.7	E45	E45-E47 PolarHBondContact O-N 3.48Å
48	D	37.9	Very low	46.5	Very low	117 Å²	117	143.4 Å²	143.4	63%	0.626	70%	0.702	S	S	*	*			trans	58	58.7	147.4	-56.5	-27.7	0	0	0	120.1	D50	D48-D50 PolarHBondContact O-N 3.14Å
49	D	42	Very low	49.7	Very low	140 Å²	140	141.4 Å²	141.4	75%	0.749	69%	0.688	S	S	*	*	T	Hydrogen-bonded Turn	trans	-65.4	-16.9	162.4	-82.9	-29.3	0	0	0	113.4	E51	D49-E51 PolarHBondContact O-N 2.85Å
50	D	44.8	Very low	52.9	Low	138 Å²	138	139 Å²	139	74%	0.738	68%	0.677	S	S	*	*	H	α-helix	trans	-74.2	-21.9	-174.9	-75.8	-26.4	0	0	0	113.6	D48	D48-D50 PolarHBondContact O-N 3.14Å
51	E	45	Very low	56.1	Low	150 Å²	150	137 Å²	137	70%	0.701	66%	0.663	S	S	*	*	H	α-helix	trans	-80.8	-31.5	179.9	-71.6	-165.5	170.1	0	0	113	D49	D49-E51 PolarHBondContact O-N 2.85Å
52	E	47	Very low	59.1	Low	154 Å²	154	133.1 Å²	133.1	72%	0.72	65%	0.648	S	S	*	*	H	α-helix	trans	-72	-28.8	178.3	-72.3	-161.2	172.6	0	0	112.8
53	E	53.6	Low	62	Low	153 Å²	153	124.7 Å²	124.7	72%	0.715	61%	0.612	S	S	*	*	H	α-helix	trans	-71.2	-36.6	179.9	-75.2	-160.8	167.3	0	0	113.6
54	D	63.7	Low	65.2	Low	88 Å²	88	115.7 Å²	115.7	47%	0.471	57%	0.571	S	S	.	*	H	α-helix	trans	-69.9	-34.5	-179.5	-167.9	-4.1	0	0	0	111.5	L56 E57 K59	D54-L56 PolarHBondContact O-N 3.39Å; D54-E57 WeakPolarHBondContact O-CB 3.3Å; D54-E57 PolarHBondContact O-N 3.33Å; D54-E57 VanDerWaalsContact O-N 3.13Å; D54-K59 IonicContact OD1-NZ 3.89Å; D54-K59 PolarHBondContact OD1-NZ 3.02Å
55	D	76.4	Confident	68.4	Low	97 Å²	97	107.9 Å²	107.9	52%	0.519	54%	0.535	S	S	.	.	H	α-helix	trans	-69.3	-21.7	-178.4	-86.3	-11.8	0	0	0	113.7	N68 A70	D55-N68 PolarHBondContact O-ND2 3.27Å; D55-A70 HydrophobicContact CB-CB 4.11Å
56	L	84.4	Confident	71.5	Confident	85 Å²	85	101.3 Å²	101.3	45%	0.445	51%	0.506	S	S	.	.	T	Hydrogen-bonded Turn	trans	-82.5	-15	174.8	-64.5	-179.1	0	0	0	113.4	D54 V58 A70 N71	D54-L56 PolarHBondContact O-N 3.39Å; L56-V58 PolarHBondContact O-N 2.77Å; L56-A70 HydrophobicContact CD2-CB 4.44Å; L56-A70 WeakPolarHBondContact CD2-O 3.37Å; L56-N71 WeakPolarHBondContact O-CB 3.37Å
57	E	90.2	Very high	74.8	Confident	113 Å²	113	92 Å²	92	53%	0.528	46%	0.463	S	S	.	.			trans	-66.9	129.9	-179.5	-165.2	-172.6	-162.4	0	0	111.1	D54 K59 N71	D54-E57 WeakPolarHBondContact O-CB 3.3Å; D54-E57 PolarHBondContact O-N 3.33Å; D54-E57 VanDerWaalsContact O-N 3.13Å; E57-K59 WeakPolarHBondContact OE2-CE 3.25Å; E57-K59 IonicContact OE2-NZ 3.54Å; E57-N71 PolarHBondContact O-ND2 2.74Å
58	V	94.3	Very high	77.9	Confident	46 Å²	46	86.7 Å²	86.7	28%	0.279	44%	0.44	S	S	.	.			trans	-94.1	102.4	174	-178.8	0	0	0	0	109.6	L56 L65 L67 N71 F75	L56-V58 PolarHBondContact O-N 2.77Å; V58-L65 HydrophobicContact CG1-CB 4.05Å; V58-L65 HydrophobicContact CG1-CD2 4.01Å; V58-L65 HydrophobicContact CG1-CG 4.48Å; V58-L67 HydrophobicContact CB-CD2 4.48Å; V58-L67 HydrophobicContact CG1-CD2 3.75Å; V58-L67 HydrophobicContact CG2-CD2 3.89Å; V58-N71 HydrophobicContact CG2-CB 4.08Å; V58-F75 HydrophobicContact CB-CD2 4.41Å; V58-F75 HydrophobicContact CG1-CD2 4.12Å; V58-F75 HydrophobicContact CG1-CE2 4.38Å; V58-F75 HydrophobicContact CG2-CB 4.06Å; V58-F75 HydrophobicContact CG2-CD2 3.91Å; V58-F75 HydrophobicContact CG2-CG 4.23Å
59	K	94.3	Very high	80.6	Confident	98 Å²	98	83.8 Å²	83.8	43%	0.426	42%	0.424	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.1	145	179	-65.9	167.8	-177.2	159	0	110.6	D54 E57 L65 V66	D54-K59 IonicContact OD1-NZ 3.89Å; D54-K59 PolarHBondContact OD1-NZ 3.02Å; E57-K59 WeakPolarHBondContact OE2-CE 3.25Å; E57-K59 IonicContact OE2-NZ 3.54Å; K59-L65 CarbonylContact O-C 3.55Å; K59-L65 WeakPolarHBondContact O-CA 3.28Å; K59-V66 PolarHBondContact O-N 2.98Å
60	E	94.5	Very high	83.2	Confident	103 Å²	103	79.3 Å²	79.3	48%	0.481	41%	0.406	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.6	121.6	175.9	-171.6	178.6	158.1	0	0	110.2	G63 L65 K109	E60-G63 VanDerWaalsContact OE1-CA 3.28Å; E60-G63 WeakPolarHBondContact OE1-CA 3.38Å; E60-L65 HydrophobicContact CB-CD2 4.07Å; E60-L65 HydrophobicContact CG-CD2 4.17Å; E60-K109 IonicContact OE1-NZ 2.65Å; E60-K109 PolarHBondContact OE1-NZ 3.23Å; E60-K109 IonicContact OE2-NZ 2.74Å
61	E	93.7	Very high	85.7	Confident	97 Å²	97	72.8 Å²	72.8	45%	0.453	37%	0.372	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.6	116.3	175.8	-69.1	-178.3	-165.9	0	0	109.9	G63 V64 V66 K119	E61-G63 PolarHBondContact O-N 3.15Å; E61-G63 VanDerWaalsContact O-N 3.1Å; E61-V64 PolarHBondContact N-O 3.48Å; E61-V64 WeakPolarHBondContact O-CB 3.41Å; E61-V64 PolarHBondContact O-N 3.46Å; E61-V66 HydrophobicContact CB-CG2 4.47Å; E61-V66 HydrophobicContact CG-CG2 4.02Å; E61-K119 IonicContact OE2-NZ 2.77Å; E61-K119 PolarHBondContact OE2-NZ 3.23Å
62	N	93.2	Very high	88.2	Confident	113 Å²	113	65.7 Å²	65.7	60%	0.604	34%	0.338	S	S	*	.	T	Hydrogen-bonded Turn	trans	51.9	32.8	177.5	-58	-33.5	0	0	0	114.5	E102	N62-E102 HydrophobicContact CB-CG 3.77Å; N62-E102 WeakPolarHBondContact CB-OE1 3.44Å; N62-E102 PolarHBondContact ND2-OE1 3.44Å
63	G	92.9	Very high	90.4	Very high	14 Å²	14	62.1 Å²	62.1	14%	0.144	32%	0.324	C	S	.	.	T	Hydrogen-bonded Turn	trans	93.8	-9.9	-176.9	0	0	0	0	0	114.9	E60 E61 A105	E60-G63 VanDerWaalsContact OE1-CA 3.28Å; E60-G63 WeakPolarHBondContact OE1-CA 3.38Å; E61-G63 PolarHBondContact O-N 3.15Å; E61-G63 VanDerWaalsContact O-N 3.1Å; G63-A105 WeakPolarHBondContact O-CB 3.48Å
64	V	97.6	Very high	92.4	Very high	3 Å²	3	60.1 Å²	60.1	2%	0.018	32%	0.318	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104	127.1	-177.7	-173.7	0	0	0	0	109.9	E61 Y101 E102 A105 K119	E61-V64 PolarHBondContact N-O 3.48Å; E61-V64 WeakPolarHBondContact O-CB 3.41Å; E61-V64 PolarHBondContact O-N 3.46Å; V64-Y101 HydrophobicContact CG1-CD1 3.89Å; V64-Y101 HydrophobicContact CG1-CE1 3.68Å; V64-Y101 HydrophobicContact CG2-CD1 4Å; V64-Y101 HydrophobicContact CG2-CE1 4.49Å; V64-E102 HydrophobicContact CG2-CG 4.16Å; V64-A105 HydrophobicContact CG2-CB 3.89Å; V64-K119 HydrophobicContact CG1-CB 3.92Å; V64-K119 HydrophobicContact CG1-CD 3.91Å; V64-K119 HydrophobicContact CG1-CG 3.77Å
65	L	97.8	Very high	93.9	Very high	26 Å²	26	57.5 Å²	57.5	14%	0.136	30%	0.303	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.3	140.7	178.7	-58.9	168.5	0	0	0	110.8	V58 K59 E60 F75 P116 V117 A118 K119	V58-L65 HydrophobicContact CG1-CB 4.05Å; V58-L65 HydrophobicContact CG1-CD2 4.01Å; V58-L65 HydrophobicContact CG1-CG 4.48Å; K59-L65 CarbonylContact O-C 3.55Å; K59-L65 WeakPolarHBondContact O-CA 3.28Å; E60-L65 HydrophobicContact CB-CD2 4.07Å; E60-L65 HydrophobicContact CG-CD2 4.17Å; L65-F75 HydrophobicContact CD1-CE1 3.92Å; L65-F75 HydrophobicContact CD1-CE2 3.7Å; L65-F75 HydrophobicContact CD1-CZ 3.2Å; L65-P116 HydrophobicContact CD1-CB 3.84Å; L65-V117 PolarHBondContact N-O 3.13Å; L65-A118 HydrophobicContact CB-CB 4.03Å; L65-A118 CarbonylContact O-C 3.52Å; L65-A118 WeakPolarHBondContact O-CA 3.29Å; L65-K119 PolarHBondContact O-N 3.28Å
66	V	97.7	Very high	94.8	Very high	34 Å²	34	53.6 Å²	53.6	21%	0.206	28%	0.283	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.2	113.6	177.9	-173.5	0	0	0	0	108.7	K59 E61 N71 K119	K59-V66 PolarHBondContact O-N 2.98Å; E61-V66 HydrophobicContact CB-CG2 4.47Å; E61-V66 HydrophobicContact CG-CG2 4.02Å; V66-N71 PolarHBondContact O-ND2 3.3Å; V66-K119 HydrophobicContact CG2-CG 4.42Å
67	L	97.8	Very high	95.1	Very high	3 Å²	3	53.7 Å²	53.7	2%	0.016	30%	0.296	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.2	148.8	177.8	-56.1	175.6	0	0	0	111.2	V58 N71 F72 F75 L84 A118 K119 I120	V58-L67 HydrophobicContact CB-CD2 4.48Å; V58-L67 HydrophobicContact CG1-CD2 3.75Å; V58-L67 HydrophobicContact CG2-CD2 3.89Å; L67-N71 WeakPolarHBondContact CA-OD1 3.11Å; L67-N71 WeakPolarHBondContact CD2-OD1 3.48Å; L67-F72 HydrophobicContact CB-CB 4.46Å; L67-F72 HydrophobicContact CB-CD2 4.06Å; L67-F72 HydrophobicContact CD1-CD2 3.66Å; L67-F72 HydrophobicContact CD1-CE2 4.09Å; L67-F72 HydrophobicContact CG-CD2 4.49Å; L67-F75 HydrophobicContact CD1-CD1 3.7Å; L67-F75 HydrophobicContact CD1-CE1 4.28Å; L67-F75 HydrophobicContact CD1-CG 4.43Å; L67-F75 HydrophobicContact CD2-CB 3.83Å; L67-F75 HydrophobicContact CD2-CD1 3.81Å; L67-F75 HydrophobicContact CD2-CD2 4.43Å; L67-F75 HydrophobicContact CD2-CG 3.73Å; L67-F75 HydrophobicContact CG-CD1 4.38Å; L67-L84 HydrophobicContact CD1-CD2 4.4Å; L67-A118 HydrophobicContact CD1-CB 3.54Å; L67-A118 HydrophobicContact CG-CB 3.86Å; L67-K119 PolarHBondContact N-O 3.48Å; L67-I120 HydrophobicContact CB-CG1 3.96Å
68	N	96.4	Very high	95.2	Very high	49 Å²	49	54 Å²	54	26%	0.262	30%	0.301	S	S	.	.			trans	-137.6	179.7	-179.1	65.2	29.2	0	0	0	110.1	D55 A70 N71 F72 L128	D55-N68 PolarHBondContact O-ND2 3.27Å; N68-A70 PolarHBondContact O-N 2.9Å; N68-A70 WeakPolarHBondContact OD1-CA 3.42Å; N68-A70 WeakPolarHBondContact OD1-CB 3.46Å; N68-A70 PolarHBondContact OD1-N 3.44Å; N68-N71 PolarHBondContact N-OD1 3.46Å; N68-N71 PolarHBondContact O-OD1 3.47Å; N68-N71 VanDerWaalsContact OD1-CG 3.28Å; N68-N71 PolarHBondContact OD1-N 3.48Å; N68-N71 PolarHBondContact OD1-OD1 3.11Å; N68-F72 VanDerWaalsContact O-CB 3.22Å; N68-F72 WeakPolarHBondContact O-CB 3.36Å; N68-F72 PolarHBondContact O-N 3.39Å; N68-L128 VanDerWaalsContact O-CD1 3.31Å; N68-L128 WeakPolarHBondContact O-CD1 3.2Å
69	D	96.4	Very high	95.2	Very high	56 Å²	56	54.9 Å²	54.9	30%	0.299	30%	0.301	S	S	.	.	T	Hydrogen-bonded Turn	trans	-61.8	-21.7	-178.3	-72.6	-19.1	0	0	0	113.5	A125 S126 V127 L128	D69-A125 VanDerWaalsContact CG-CA 3.5Å; D69-A125 VanDerWaalsContact OD1-C 3.3Å; D69-A125 WeakPolarHBondContact OD1-CA 3.39Å; D69-A125 WeakPolarHBondContact OD1-CB 3.4Å; D69-A125 VanDerWaalsContact OD2-CA 3.3Å; D69-A125 WeakPolarHBondContact OD2-CA 3.34Å; D69-S126 PolarHBondContact OD2-N 3.18Å; D69-V127 HydrophobicContact CB-CB 4.29Å; D69-V127 PolarHBondContact OD1-N 3.24Å; D69-V127 PolarHBondContact OD2-N 2.79Å; D69-L128 WeakPolarHBondContact OD1-CB 3.49Å; D69-L128 WeakPolarHBondContact OD1-CG 3.35Å; D69-L128 PolarHBondContact OD1-N 2.79Å
70	A	95.4	Very high	95.2	Very high	45 Å²	45	53.4 Å²	53.4	37%	0.372	30%	0.298	S	S	.	.	T	Hydrogen-bonded Turn	trans	-88.2	-45.5	-178.7	0	0	0	0	0	113.2	D55 L56 N68	D55-A70 HydrophobicContact CB-CB 4.11Å; L56-A70 HydrophobicContact CD2-CB 4.44Å; L56-A70 WeakPolarHBondContact CD2-O 3.37Å; N68-A70 PolarHBondContact O-N 2.9Å; N68-A70 WeakPolarHBondContact OD1-CA 3.42Å; N68-A70 WeakPolarHBondContact OD1-CB 3.46Å; N68-A70 PolarHBondContact OD1-N 3.44Å
71	N	96.9	Very high	95.3	Very high	2 Å²	2	48.9 Å²	48.9	1%	0.011	28%	0.277	C	S	.	.	T	Hydrogen-bonded Turn	trans	-93.5	-15	-171.4	70.8	15.2	0	0	0	114.6	L56 E57 V58 V66 L67 N68 D73 F75	L56-N71 WeakPolarHBondContact O-CB 3.37Å; E57-N71 PolarHBondContact O-ND2 2.74Å; V58-N71 HydrophobicContact CG2-CB 4.08Å; V66-N71 PolarHBondContact O-ND2 3.3Å; L67-N71 WeakPolarHBondContact CA-OD1 3.11Å; L67-N71 WeakPolarHBondContact CD2-OD1 3.48Å; N68-N71 PolarHBondContact N-OD1 3.46Å; N68-N71 PolarHBondContact O-OD1 3.47Å; N68-N71 VanDerWaalsContact OD1-CG 3.28Å; N68-N71 PolarHBondContact OD1-N 3.48Å; N68-N71 PolarHBondContact OD1-OD1 3.11Å; N71-D73 PolarHBondContact O-N 2.91Å; N71-F75 WeakPolarHBondContact O-CB 3.29Å; N71-F75 PolarHBondContact O-N 2.88Å
72	F	97.2	Very high	95.5	Very high	0 Å²	0	44.3 Å²	44.3	0%	0	26%	0.256	C	S	.	.	H	α-helix	trans	-61.2	-51.7	-169.3	177.8	-84.9	0	0	0	113.5	L67 N68 N74 F75 V76 L84 L128 F132 L143	L67-F72 HydrophobicContact CB-CB 4.46Å; L67-F72 HydrophobicContact CB-CD2 4.06Å; L67-F72 HydrophobicContact CD1-CD2 3.66Å; L67-F72 HydrophobicContact CD1-CE2 4.09Å; L67-F72 HydrophobicContact CG-CD2 4.49Å; N68-F72 VanDerWaalsContact O-CB 3.22Å; N68-F72 WeakPolarHBondContact O-CB 3.36Å; N68-F72 PolarHBondContact O-N 3.39Å; F72-N74 PolarHBondContact O-N 2.94Å; F72-F75 PolarHBondContact O-N 3.1Å; F72-V76 HydrophobicContact CD1-CG2 4.11Å; F72-V76 HydrophobicContact CD2-CG1 4.45Å; F72-V76 HydrophobicContact CE1-CG1 4.16Å; F72-V76 HydrophobicContact CE1-CG2 3.77Å; F72-V76 HydrophobicContact CE2-CG1 4.1Å; F72-V76 HydrophobicContact CZ-CG1 3.92Å; F72-V76 HydrophobicContact CZ-CG2 4.3Å; F72-V76 WeakPolarHBondContact O-CG2 3.43Å; F72-V76 PolarHBondContact O-N 3.34Å; F72-L84 HydrophobicContact CE2-CD1 3.81Å; F72-L84 HydrophobicContact CE2-CD2 3.98Å; F72-L84 HydrophobicContact CZ-CD1 3.89Å; F72-L128 HydrophobicContact CB-CD1 3.64Å; F72-L128 HydrophobicContact CB-CD2 3.86Å; F72-L128 HydrophobicContact CB-CG 4.33Å; F72-L128 HydrophobicContact CD1-CD2 3.45Å; F72-L128 VanDerWaalsContact CD1-CD2 3.45Å; F72-L128 HydrophobicContact CD2-CD1 3.83Å; F72-L128 HydrophobicContact CD2-CD2 3.91Å; F72-L128 HydrophobicContact CE1-CD2 3.95Å; F72-L128 HydrophobicContact CE2-CD2 4.36Å; F72-L128 HydrophobicContact CG-CD1 3.79Å; F72-L128 HydrophobicContact CG-CD2 3.45Å; F72-L128 VanDerWaalsContact CG-CD2 3.45Å; F72-L128 HydrophobicContact CG-CG 4.28Å; F72-L128 HydrophobicContact CZ-CD2 4.39Å; F72-F132 AromaticContact CE1-CE2 3.67Å; F72-F132 HydrophobicContact CE1-CE2 3.67Å; F72-F132 AromaticContact CE1-CZ 3.73Å; F72-F132 HydrophobicContact CE1-CZ 3.73Å; F72-F132 HydrophobicContact CE2-CE2 4.11Å; F72-F132 HydrophobicContact CE2-CZ 4.3Å; F72-F132 AromaticContact CZ-CE2 3.43Å; F72-F132 HydrophobicContact CZ-CE2 3.43Å; F72-F132 VanDerWaalsContact CZ-CE2 3.43Å; F72-F132 AromaticContact CZ-CZ 3.35Å; F72-F132 HydrophobicContact CZ-CZ 3.35Å; F72-L143 HydrophobicContact CZ-CD2 4.19Å
73	D	95	Very high	95.7	Very high	79 Å²	79	38.9 Å²	38.9	42%	0.422	23%	0.227	S	C	.	.	H	α-helix	trans	-65.8	-41.6	-174.3	-82.1	-46	0	0	0	111.7	N71 F75 V76 A77 R131	N71-D73 PolarHBondContact O-N 2.91Å; D73-F75 VanDerWaalsContact C-N 3.32Å; D73-F75 PolarHBondContact O-N 2.84Å; D73-V76 PolarHBondContact O-N 3.08Å; D73-A77 WeakPolarHBondContact O-CB 3.44Å; D73-A77 PolarHBondContact O-N 2.88Å; D73-A77 VanDerWaalsContact O-N 3.12Å; D73-R131 IonicContact OD1-CZ 3.64Å; D73-R131 VanDerWaalsContact OD1-CZ 3.26Å; D73-R131 IonicContact OD1-NH1 3.42Å; D73-R131 PolarHBondContact OD1-NH1 2.99Å; D73-R131 IonicContact OD1-NH2 2.65Å; D73-R131 PolarHBondContact OD1-NH2 3.01Å; D73-R131 IonicContact OD2-NH1 3.05Å; D73-R131 PolarHBondContact OD2-NH1 2.82Å
74	N	94.1	Very high	96	Very high	111 Å²	111	38.2 Å²	38.2	59%	0.594	22%	0.22	S	C	*	.	H	α-helix	trans	-60.8	-42.3	174.4	-71.2	-21.5	0	0	0	111.4	F72	F72-N74 PolarHBondContact O-N 2.94Å
75	F	95.2	Very high	96	Very high	34 Å²	34	38.3 Å²	38.3	15%	0.149	22%	0.22	C	C	.	.	H	α-helix	trans	-67.4	-42.1	-179.5	178	-97.8	0	0	0	113.3	V58 L65 L67 N71 F72 D73 K79 V82 P116	V58-F75 HydrophobicContact CB-CD2 4.41Å; V58-F75 HydrophobicContact CG1-CD2 4.12Å; V58-F75 HydrophobicContact CG1-CE2 4.38Å; V58-F75 HydrophobicContact CG2-CB 4.06Å; V58-F75 HydrophobicContact CG2-CD2 3.91Å; V58-F75 HydrophobicContact CG2-CG 4.23Å; L65-F75 HydrophobicContact CD1-CE1 3.92Å; L65-F75 HydrophobicContact CD1-CE2 3.7Å; L65-F75 HydrophobicContact CD1-CZ 3.2Å; L67-F75 HydrophobicContact CD1-CD1 3.7Å; L67-F75 HydrophobicContact CD1-CE1 4.28Å; L67-F75 HydrophobicContact CD1-CG 4.43Å; L67-F75 HydrophobicContact CD2-CB 3.83Å; L67-F75 HydrophobicContact CD2-CD1 3.81Å; L67-F75 HydrophobicContact CD2-CD2 4.43Å; L67-F75 HydrophobicContact CD2-CG 3.73Å; L67-F75 HydrophobicContact CG-CD1 4.38Å; N71-F75 WeakPolarHBondContact O-CB 3.29Å; N71-F75 PolarHBondContact O-N 2.88Å; F72-F75 PolarHBondContact O-N 3.1Å; D73-F75 VanDerWaalsContact C-N 3.32Å; D73-F75 PolarHBondContact O-N 2.84Å; F75-K79 HydrophobicContact CE1-CG 4.44Å; F75-K79 VanDerWaalsContact O-CG 3.32Å; F75-K79 WeakPolarHBondContact O-CG 3.43Å; F75-V82 HydrophobicContact CE1-CG1 4.4Å; F75-P116 HydrophobicContact CE1-CB 4.09Å; F75-P116 HydrophobicContact CZ-CB 3.8Å; F75-P116 HydrophobicContact CZ-CG 4.15Å
76	V	95.2	Very high	96	Very high	15 Å²	15	37.1 Å²	37.1	9%	0.091	21%	0.214	C	C	.	.	H	α-helix	trans	-86.8	-12.4	-173.9	-56.6	0	0	0	0	113.9	F72 D73 D78 K79 V82 L143	F72-V76 HydrophobicContact CD1-CG2 4.11Å; F72-V76 HydrophobicContact CD2-CG1 4.45Å; F72-V76 HydrophobicContact CE1-CG1 4.16Å; F72-V76 HydrophobicContact CE1-CG2 3.77Å; F72-V76 HydrophobicContact CE2-CG1 4.1Å; F72-V76 HydrophobicContact CZ-CG1 3.92Å; F72-V76 HydrophobicContact CZ-CG2 4.3Å; F72-V76 WeakPolarHBondContact O-CG2 3.43Å; F72-V76 PolarHBondContact O-N 3.34Å; D73-V76 PolarHBondContact O-N 3.08Å; V76-D78 VanDerWaalsContact C-N 3.27Å; V76-D78 PolarHBondContact O-N 2.95Å; V76-K79 PolarHBondContact O-N 3.13Å; V76-V82 HydrophobicContact CG1-CG2 4.37Å; V76-L143 HydrophobicContact CB-CD2 3.78Å; V76-L143 HydrophobicContact CG1-CD2 3.85Å; V76-L143 HydrophobicContact CG2-CD2 3.99Å
77	A	92.1	Very high	96	Very high	87 Å²	87	37.8 Å²	37.8	72%	0.719	21%	0.213	S	C	*	.	T	Hydrogen-bonded Turn	trans	-55.5	-36.4	-172.7	0	0	0	0	0	114.3	D73	D73-A77 WeakPolarHBondContact O-CB 3.44Å; D73-A77 PolarHBondContact O-N 2.88Å; D73-A77 VanDerWaalsContact O-N 3.12Å
78	D	91.7	Very high	95.9	Very high	119 Å²	119	37.6 Å²	37.6	64%	0.636	21%	0.212	S	C	*	.	T	Hydrogen-bonded Turn	trans	-102.1	3.5	-178.9	75.3	-30	0	0	0	113.4	V76	V76-D78 VanDerWaalsContact C-N 3.27Å; V76-D78 PolarHBondContact O-N 2.95Å
79	K	93.7	Very high	95.8	Very high	65 Å²	65	38 Å²	38	28%	0.283	22%	0.218	S	C	.	.			trans	-94.9	129.4	-174.7	-53.6	-55.8	179.3	-131.9	0	111.7	F75 V76 V82 P116	F75-K79 HydrophobicContact CE1-CG 4.44Å; F75-K79 VanDerWaalsContact O-CG 3.32Å; F75-K79 WeakPolarHBondContact O-CG 3.43Å; V76-K79 PolarHBondContact O-N 3.13Å; K79-V82 HydrophobicContact CB-CG2 3.46Å; K79-V82 VanDerWaalsContact CB-CG2 3.46Å; K79-V82 HydrophobicContact CG-CG2 3.94Å; K79-P116 HydrophobicContact CD-CG 4.17Å
80	D	94.2	Very high	95.6	Very high	67 Å²	67	43.7 Å²	43.7	36%	0.358	24%	0.235	S	C	.	.	S	Bend	trans	-74.2	-45.6	174.5	175.7	85.5	0	0	0	112.1	K144 K145	D80-K144 CarbonylContact O-C 3.58Å; D80-K144 WeakPolarHBondContact O-CA 3.2Å; D80-K144 IonicContact OD1-NZ 2.65Å; D80-K144 IonicContact OD2-NZ 2.83Å; D80-K144 PolarHBondContact OD2-NZ 3.45Å; D80-K145 PolarHBondContact O-N 3.1Å; D80-K145 WeakPolarHBondContact OD1-CE 3.36Å; D80-K145 WeakPolarHBondContact OD1-CG 3.46Å
81	T	96.5	Very high	95.5	Very high	7 Å²	7	42.1 Å²	42.1	4%	0.043	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.4	130.9	-179.8	-54.6	0	0	0	0	110.3	I115 P116 I142 L143 K144	T81-I115 HydrophobicContact CG2-CG2 4.15Å; T81-P116 WeakPolarHBondContact O-CD 3.4Å; T81-I142 HydrophobicContact CG2-CG2 3.85Å; T81-L143 CarbonylContact C-O 3.59Å; T81-L143 WeakPolarHBondContact CA-O 2.96Å; T81-K144 VanDerWaalsContact OG1-CD 3.26Å; T81-K144 WeakPolarHBondContact OG1-CD 3.41Å; T81-K144 PolarHBondContact OG1-NZ 3.36Å
82	V	97.8	Very high	95.4	Very high	1 Å²	1	44 Å²	44	1%	0.006	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.2	132.8	176.3	-174.1	0	0	0	0	109.7	F75 V76 K79 L84 P116 I142 L143	F75-V82 HydrophobicContact CE1-CG1 4.4Å; V76-V82 HydrophobicContact CG1-CG2 4.37Å; K79-V82 HydrophobicContact CB-CG2 3.46Å; K79-V82 VanDerWaalsContact CB-CG2 3.46Å; K79-V82 HydrophobicContact CG-CG2 3.94Å; V82-L84 HydrophobicContact CB-CD2 4.39Å; V82-L84 HydrophobicContact CG1-CD2 3.55Å; V82-L84 HydrophobicContact CG1-CG 4.38Å; V82-P116 HydrophobicContact CG1-CB 4.26Å; V82-I142 CarbonylContact O-C 3.46Å; V82-L143 HydrophobicContact CB-CB 4.24Å; V82-L143 PolarHBondContact N-O 3.33Å; V82-L143 PolarHBondContact O-N 3.06Å
83	L	98.3	Very high	95.2	Very high	0 Å²	0	49.6 Å²	49.6	0%	0	27%	0.266	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.9	128.3	171	178.9	65	0	0	0	109.5	Y101 I104 L108 P116 V117 A118 I140 I142 I160 V164	L83-Y101 HydrophobicContact CD2-CE2 3.68Å; L83-Y101 HydrophobicContact CG-CE2 3.99Å; L83-Y101 PolarHBondContact O-OH 2.94Å; L83-I104 HydrophobicContact CD2-CG2 3.57Å; L83-L108 HydrophobicContact CD2-CD1 4Å; L83-P116 PolarHBondContact N-O 3.49Å; L83-V117 HydrophobicContact CB-CG1 4.44Å; L83-V117 HydrophobicContact CB-CG2 4.16Å; L83-V117 HydrophobicContact CD2-CG1 4.01Å; L83-V117 HydrophobicContact CD2-CG2 4.16Å; L83-V117 HydrophobicContact CG-CG1 4.38Å; L83-V117 WeakPolarHBondContact O-CA 3.33Å; L83-A118 PolarHBondContact O-N 2.97Å; L83-I140 HydrophobicContact CD1-CG2 3.68Å; L83-I142 HydrophobicContact CD1-CG1 3.94Å; L83-I160 HydrophobicContact CD1-CG2 4.2Å; L83-I160 HydrophobicContact CD2-CG2 3.8Å; L83-V164 HydrophobicContact CB-CG2 4.37Å; L83-V164 HydrophobicContact CD1-CG2 3.77Å; L83-V164 HydrophobicContact CD2-CG2 4.11Å; L83-V164 HydrophobicContact CG-CG2 4.3Å
84	L	98.3	Very high	95.3	Very high	0 Å²	0	46 Å²	46	0%	0	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.7	132.3	-176.1	-53.6	178	0	0	0	110.6	L67 F72 V82 F86 Y101 A118 I120 F132 I140 K141 L143	L67-L84 HydrophobicContact CD1-CD2 4.4Å; F72-L84 HydrophobicContact CE2-CD1 3.81Å; F72-L84 HydrophobicContact CE2-CD2 3.98Å; F72-L84 HydrophobicContact CZ-CD1 3.89Å; V82-L84 HydrophobicContact CB-CD2 4.39Å; V82-L84 HydrophobicContact CG1-CD2 3.55Å; V82-L84 HydrophobicContact CG1-CG 4.38Å; L84-F86 HydrophobicContact CB-CE2 4.04Å; L84-F86 HydrophobicContact CD1-CE2 4.29Å; L84-F86 HydrophobicContact CD1-CZ 4.35Å; L84-Y101 VanDerWaalsContact C-OH 3.28Å; L84-A118 CarbonylContact C-O 3.33Å; L84-A118 WeakPolarHBondContact CA-O 3.5Å; L84-A118 HydrophobicContact CD2-CB 4.02Å; L84-I120 HydrophobicContact CB-CD1 4.12Å; L84-I120 HydrophobicContact CD2-CD1 4.06Å; L84-F132 HydrophobicContact CD1-CE1 4.16Å; L84-F132 HydrophobicContact CD1-CZ 4.18Å; L84-I140 CarbonylContact O-C 3.25Å; L84-I140 WeakPolarHBondContact O-CA 3.07Å; L84-K141 PolarHBondContact N-O 3.47Å; L84-K141 PolarHBondContact O-N 3.45Å; L84-L143 HydrophobicContact CD1-CB 4.16Å
85	E	98.3	Very high	95.3	Very high	5 Å²	5	47.1 Å²	47.1	2%	0.023	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.6	118.1	166.5	-178.9	-167	-170.3	0	0	109.3	F97 Y101 A118 K119 I120 P138 T139	E85-F97 WeakPolarHBondContact OE1-CD1 3.32Å; E85-Y101 HydrophobicContact CB-CD1 4.3Å; E85-Y101 HydrophobicContact CB-CE1 3.63Å; E85-Y101 HydrophobicContact CB-CE2 4Å; E85-Y101 VanDerWaalsContact CB-CZ 3.46Å; E85-Y101 PolarHBondContact N-OH 2.89Å; E85-Y101 WeakPolarHBondContact OE2-CD1 3.35Å; E85-A118 PolarHBondContact N-O 3Å; E85-K119 HydrophobicContact CB-CB 4.44Å; E85-K119 CarbonylContact O-C 3.59Å; E85-K119 VanDerWaalsContact O-CA 3.26Å; E85-K119 WeakPolarHBondContact O-CA 3.46Å; E85-I120 PolarHBondContact O-N 3.06Å; E85-P138 HydrophobicContact CG-CB 3.96Å; E85-P138 WeakPolarHBondContact OE1-CB 3.48Å; E85-T139 WeakPolarHBondContact CA-O 3.23Å
86	F	98.2	Very high	95.4	Very high	0 Å²	0	53 Å²	53	0%	0	28%	0.275	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.6	118.3	167.1	-62.7	-91.4	0	0	0	109.4	L84 I120 A122 L128 F132 V134 P138 T139 K141	L84-F86 HydrophobicContact CB-CE2 4.04Å; L84-F86 HydrophobicContact CD1-CE2 4.29Å; L84-F86 HydrophobicContact CD1-CZ 4.35Å; F86-I120 WeakPolarHBondContact CA-O 3.49Å; F86-I120 HydrophobicContact CD1-CB 3.73Å; F86-I120 HydrophobicContact CD1-CD1 4.4Å; F86-I120 HydrophobicContact CD1-CG1 4.4Å; F86-I120 HydrophobicContact CD1-CG2 3.88Å; F86-I120 HydrophobicContact CE1-CB 3.91Å; F86-I120 HydrophobicContact CE1-CD1 4.09Å; F86-I120 HydrophobicContact CE1-CG1 4.13Å; F86-I120 HydrophobicContact CE1-CG2 3.94Å; F86-I120 HydrophobicContact CZ-CD1 4.16Å; F86-A122 HydrophobicContact CB-CB 4.09Å; F86-A122 HydrophobicContact CD1-CB 4.2Å; F86-L128 HydrophobicContact CE1-CB 4.13Å; F86-F132 HydrophobicContact CE1-CB 4.16Å; F86-F132 HydrophobicContact CE1-CD2 4.01Å; F86-F132 HydrophobicContact CE1-CG 4.27Å; F86-F132 HydrophobicContact CE2-CB 3.88Å; F86-F132 HydrophobicContact CE2-CD1 4.32Å; F86-F132 HydrophobicContact CE2-CD2 4.34Å; F86-F132 AromaticContact CE2-CG 3.93Å; F86-F132 HydrophobicContact CE2-CG 3.93Å; F86-F132 HydrophobicContact CZ-CB 3.57Å; F86-F132 HydrophobicContact CZ-CD1 4.14Å; F86-F132 AromaticContact CZ-CD2 3.41Å; F86-F132 HydrophobicContact CZ-CD2 3.41Å; F86-F132 VanDerWaalsContact CZ-CD2 3.41Å; F86-F132 HydrophobicContact CZ-CE2 4.12Å; F86-F132 AromaticContact CZ-CG 3.42Å; F86-F132 HydrophobicContact CZ-CG 3.42Å; F86-F132 VanDerWaalsContact CZ-CG 3.42Å; F86-V134 HydrophobicContact CB-CB 4.37Å; F86-V134 HydrophobicContact CB-CG1 3.75Å; F86-V134 HydrophobicContact CB-CG2 3.66Å; F86-V134 HydrophobicContact CD1-CG2 3.6Å; F86-V134 HydrophobicContact CD2-CG2 3.79Å; F86-V134 HydrophobicContact CE1-CG2 4.16Å; F86-V134 HydrophobicContact CE2-CG2 4.34Å; F86-V134 HydrophobicContact CG-CG1 4.42Å; F86-V134 HydrophobicContact CG-CG2 3.38Å; F86-P138 WeakPolarHBondContact O-CA 3.26Å; F86-T139 HydrophobicContact CD2-CG2 4.48Å; F86-T139 PolarHBondContact N-O 2.85Å; F86-T139 PolarHBondContact O-N 3.47Å; F86-K141 HydrophobicContact CE2-CD 4.13Å; F86-K141 HydrophobicContact CE2-CG 4.46Å
87	Y	97.7	Very high	95.4	Very high	48 Å²	48	52.6 Å²	52.6	19%	0.188	27%	0.272	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.7	173.8	-174.1	78.6	-80.3	0	0	0	111.9	P89 K119 I120 D121 A122	Y87-P89 HydrophobicContact CE2-CG 4.36Å; Y87-K119 HydrophobicContact CD1-CB 4.02Å; Y87-K119 HydrophobicContact CE1-CB 3.93Å; Y87-K119 HydrophobicContact CE1-CD 4.12Å; Y87-K119 HydrophobicContact CE1-CG 3.95Å; Y87-I120 VanDerWaalsContact CD1-C 3.46Å; Y87-I120 WeakPolarHBondContact CD1-O 3.42Å; Y87-I120 VanDerWaalsContact CE1-C 3.43Å; Y87-I120 PolarHBondContact N-O 2.85Å; Y87-D121 HydrophobicContact CE1-CB 4.08Å; Y87-D121 HydrophobicContact CE2-CB 4.49Å; Y87-A122 PolarHBondContact O-N 3.18Å
88	A	95.7	Very high	95.6	Very high	0 Å²	0	50.2 Å²	50.2	0%	0	25%	0.252	C	S	.	.			trans	-129.6	136.2	168.6	0	0	0	0	0	109.8	W90 C91 T123 Y137	A88-W90 HydrophobicContact CB-CD2 4.15Å; A88-W90 HydrophobicContact CB-CH2 4.38Å; A88-W90 HydrophobicContact CB-CZ2 3.87Å; A88-W90 PolarHBondContact O-N 3.48Å; A88-C91 HydrophobicContact CB-CB 4.08Å; A88-C91 WeakPolarHBondContact O-CB 3.17Å; A88-C91 PolarHBondContact O-N 3.33Å; A88-T123 HydrophobicContact CB-CG2 3.45Å; A88-T123 VanDerWaalsContact CB-CG2 3.45Å; A88-Y137 HydrophobicContact CB-CD1 4.35Å; A88-Y137 HydrophobicContact CB-CD2 3.5Å; A88-Y137 HydrophobicContact CB-CE2 3.71Å; A88-Y137 HydrophobicContact CB-CG 3.84Å
89	P	94.7	Very high	95.8	Very high	58 Å²	58	47.8 Å²	47.8	38%	0.377	24%	0.243	S	C	.	.	T	Hydrogen-bonded Turn	trans	-59.8	-24.4	-176.3	-27.2	33.7	0	0	0	114.3	Y87 K95 D121	Y87-P89 HydrophobicContact CE2-CG 4.36Å; P89-K95 WeakPolarHBondContact O-CE 3.34Å; P89-K95 PolarHBondContact O-NZ 3.23Å; P89-D121 VanDerWaalsContact CD-OD1 3.28Å; P89-D121 WeakPolarHBondContact CD-OD1 3.29Å; P89-D121 VanDerWaalsContact CD-OD2 3.26Å; P89-D121 WeakPolarHBondContact CD-OD2 3.15Å; P89-D121 WeakPolarHBondContact CG-OD2 3.2Å
90	W	91.2	Very high	95.9	Very high	175 Å²	175	46.8 Å²	46.8	66%	0.663	24%	0.239	S	C	*	.	T	Hydrogen-bonded Turn	trans	-92.3	-5.7	177.9	50.6	-100.2	0	0	0	113.5	A88 G92 T123 Y137	A88-W90 HydrophobicContact CB-CD2 4.15Å; A88-W90 HydrophobicContact CB-CH2 4.38Å; A88-W90 HydrophobicContact CB-CZ2 3.87Å; A88-W90 PolarHBondContact O-N 3.48Å; W90-G92 PolarHBondContact O-N 2.99Å; W90-T123 HydrophobicContact CZ2-CG2 4.41Å; W90-Y137 HydrophobicContact CH2-CD2 4.07Å; W90-Y137 HydrophobicContact CH2-CE2 4.07Å; W90-Y137 HydrophobicContact CZ2-CD2 4.35Å; W90-Y137 HydrophobicContact CZ2-CE2 4.02Å
91	C	93.7	Very high	96.1	Very high	12 Å²	12	43.7 Å²	43.7	8%	0.081	22%	0.223	C	C	.	.			trans	-78.3	116.4	-177.2	179.5	0	0	0	0	112.1	A88 H93 C94 K95	A88-C91 HydrophobicContact CB-CB 4.08Å; A88-C91 WeakPolarHBondContact O-CB 3.17Å; A88-C91 PolarHBondContact O-N 3.33Å; C91-H93 VanDerWaalsContact C-N 3.31Å; C91-H93 PolarHBondContact O-N 2.86Å; C91-C94 HydrophobicContact CB-CB 4.02Å; C91-C94 WeakPolarHBondContact CB-SG 3.36Å; C91-C94 PolarHBondContact O-N 3.45Å; C91-C94 PolarHBondContact SG-SG 3.42Å; C91-K95 PolarHBondContact O-N 2.96Å
92	G	94.5	Very high	96.1	Very high	40 Å²	40	46 Å²	46	41%	0.412	23%	0.233	S	C	.	.	H	α-helix	trans	-61.3	-35.3	177.9	0	0	0	0	0	113.9	W90 K95 Q96	W90-G92 PolarHBondContact O-N 2.99Å; G92-K95 PolarHBondContact O-N 3.02Å; G92-Q96 WeakPolarHBondContact O-CG 3.43Å; G92-Q96 PolarHBondContact O-N 3.17Å; G92-Q96 VanDerWaalsContact O-N 3.13Å
93	H	93.5	Very high	96	Very high	118 Å²	118	50.7 Å²	50.7	55%	0.546	25%	0.253	S	S	.	.	H	α-helix	trans	-68	-35.7	177.4	-70.6	-108.9	0	0	0	112	C91 F97	C91-H93 VanDerWaalsContact C-N 3.31Å; C91-H93 PolarHBondContact O-N 2.86Å; H93-F97 WeakPolarHBondContact O-CB 3.49Å; H93-F97 PolarHBondContact O-N 3.35Å; H93-F97 VanDerWaalsContact O-N 3.1Å
94	C	96.2	Very high	96	Very high	5 Å²	5	50.7 Å²	50.7	3%	0.034	25%	0.253	C	S	.	.	H	α-helix	trans	-66.9	-46.3	176	-58.4	0	0	0	0	110.7	C91 Q96 F97 A98 P138	C91-C94 HydrophobicContact CB-CB 4.02Å; C91-C94 WeakPolarHBondContact CB-SG 3.36Å; C91-C94 PolarHBondContact O-N 3.45Å; C91-C94 PolarHBondContact SG-SG 3.42Å; C94-Q96 VanDerWaalsContact C-N 3.27Å; C94-Q96 PolarHBondContact O-N 3.27Å; C94-F97 PolarHBondContact O-N 3.27Å; C94-A98 PolarHBondContact O-N 3.3Å; C94-P138 VanDerWaalsContact SG-CD 3.55Å; C94-P138 VanDerWaalsContact SG-N 3.42Å
95	K	95.6	Very high	95.9	Very high	134 Å²	134	50.9 Å²	50.9	58%	0.583	26%	0.255	S	S	*	.	H	α-helix	trans	-59.1	-37.4	177.3	-67.8	-178.8	-175.9	-179.5	0	113.2	P89 C91 G92	P89-K95 WeakPolarHBondContact O-CE 3.34Å; P89-K95 PolarHBondContact O-NZ 3.23Å; C91-K95 PolarHBondContact O-N 2.96Å; G92-K95 PolarHBondContact O-N 3.02Å
96	Q	95.5	Very high	95.8	Very high	156 Å²	156	54.7 Å²	54.7	73%	0.729	28%	0.275	S	S	*	.	H	α-helix	trans	-72.8	-30.4	176.6	-73.9	176.7	0.9	0	0	112.7	G92 C94	G92-Q96 WeakPolarHBondContact O-CG 3.43Å; G92-Q96 PolarHBondContact O-N 3.17Å; G92-Q96 VanDerWaalsContact O-N 3.13Å; C94-Q96 VanDerWaalsContact C-N 3.27Å; C94-Q96 PolarHBondContact O-N 3.27Å
97	F	96.6	Very high	95.6	Very high	8 Å²	8	56.9 Å²	56.9	4%	0.035	29%	0.287	C	S	.	.	H	α-helix	trans	-82.2	-27.7	-179.2	-178.9	-122.3	0	0	0	113.1	E85 H93 C94 E100 Y101 I104 P138 I140 R155 I160	E85-F97 WeakPolarHBondContact OE1-CD1 3.32Å; H93-F97 WeakPolarHBondContact O-CB 3.49Å; H93-F97 PolarHBondContact O-N 3.35Å; H93-F97 VanDerWaalsContact O-N 3.1Å; C94-F97 PolarHBondContact O-N 3.27Å; F97-E100 HydrophobicContact CD2-CB 4.05Å; F97-E100 HydrophobicContact CE2-CB 4.17Å; F97-E100 HydrophobicContact CE2-CG 4.33Å; F97-E100 WeakPolarHBondContact O-CA 3.43Å; F97-E100 VanDerWaalsContact O-CB 3.32Å; F97-E100 WeakPolarHBondContact O-CB 3.16Å; F97-E100 PolarHBondContact O-N 3.12Å; F97-Y101 AromaticContact CE1-CD2 3.46Å; F97-Y101 HydrophobicContact CE1-CD2 3.46Å; F97-Y101 VanDerWaalsContact CE1-CD2 3.46Å; F97-Y101 HydrophobicContact CE1-CE2 4.21Å; F97-Y101 AromaticContact CE1-CG 3.9Å; F97-Y101 HydrophobicContact CE1-CG 3.9Å; F97-Y101 AromaticContact CZ-CD2 3.61Å; F97-Y101 HydrophobicContact CZ-CD2 3.61Å; F97-Y101 HydrophobicContact CZ-CE2 4.46Å; F97-Y101 HydrophobicContact CZ-CG 4.28Å; F97-Y101 PolarHBondContact O-N 2.79Å; F97-I104 HydrophobicContact CE2-CD1 4.39Å; F97-I104 HydrophobicContact CZ-CD1 4.2Å; F97-P138 HydrophobicContact CD1-CG 4.28Å; F97-I140 HydrophobicContact CE1-CD1 3.81Å; F97-I140 HydrophobicContact CE1-CG1 4.36Å; F97-I140 HydrophobicContact CZ-CD1 3.8Å; F97-R155 HydrophobicContact CD2-CB 3.8Å; F97-R155 HydrophobicContact CE2-CB 3.8Å; F97-R155 WeakPolarHBondContact CE2-O 3.33Å; F97-I160 HydrophobicContact CE2-CD1 3.79Å; F97-I160 HydrophobicContact CZ-CD1 3.47Å; F97-I160 VanDerWaalsContact CZ-CD1 3.47Å
98	A	96.1	Very high	95.5	Very high	36 Å²	36	54.6 Å²	54.6	30%	0.298	28%	0.278	S	S	.	.	H	α-helix	trans	-48.7	-47.6	-176.3	0	0	0	0	0	115	C94 E100 Y101 E102	C94-A98 PolarHBondContact O-N 3.3Å; A98-E100 PolarHBondContact O-N 2.93Å; A98-Y101 PolarHBondContact O-N 2.96Å; A98-Y101 VanDerWaalsContact O-N 3.12Å; A98-E102 WeakPolarHBondContact O-CG 3.44Å; A98-E102 PolarHBondContact O-N 2.65Å
99	P	96.1	Very high	95.3	Very high	68 Å²	68	59.5 Å²	59.5	44%	0.442	30%	0.299	S	S	.	.	H	α-helix	trans	-64.6	-27.7	178.4	-20.7	33.5	0	0	0	113.6	K103	P99-K103 WeakPolarHBondContact O-CG 3.49Å; P99-K103 PolarHBondContact O-N 2.65Å
100	E	95.7	Very high	95	Very high	44 Å²	44	63.7 Å²	63.7	21%	0.206	32%	0.318	C	S	.	.	H	α-helix	trans	-76	-40.2	175.1	-164.2	72.6	172.9	0	0	110.5	F97 A98 E102 K103 I104 Q157	F97-E100 HydrophobicContact CD2-CB 4.05Å; F97-E100 HydrophobicContact CE2-CB 4.17Å; F97-E100 HydrophobicContact CE2-CG 4.33Å; F97-E100 WeakPolarHBondContact O-CA 3.43Å; F97-E100 VanDerWaalsContact O-CB 3.32Å; F97-E100 WeakPolarHBondContact O-CB 3.16Å; F97-E100 PolarHBondContact O-N 3.12Å; A98-E100 PolarHBondContact O-N 2.93Å; E100-E102 VanDerWaalsContact C-N 3.33Å; E100-E102 PolarHBondContact O-N 2.97Å; E100-K103 WeakPolarHBondContact O-CB 3.48Å; E100-K103 PolarHBondContact O-N 3.04Å; E100-K103 VanDerWaalsContact O-N 3.15Å; E100-K103 IonicContact OE2-NZ 3.6Å; E100-K103 PolarHBondContact OE2-NZ 3.27Å; E100-I104 WeakPolarHBondContact O-CG1 3.26Å; E100-I104 PolarHBondContact O-N 2.62Å; E100-Q157 HydrophobicContact CG-CB 4.19Å; E100-Q157 WeakPolarHBondContact OE1-CB 3.41Å; E100-Q157 PolarHBondContact OE1-N 3.45Å; E100-Q157 VanDerWaalsContact OE1-N 3.08Å
101	Y	97.5	Very high	94.6	Very high	2 Å²	2	59.4 Å²	59.4	1%	0.008	30%	0.304	C	S	.	.	H	α-helix	trans	-63.1	-37.4	176.1	-158.2	-119.6	0	0	0	112.6	V64 L83 L84 E85 F97 A98 K103 I104 A105 V117 A118 K119	V64-Y101 HydrophobicContact CG1-CD1 3.89Å; V64-Y101 HydrophobicContact CG1-CE1 3.68Å; V64-Y101 HydrophobicContact CG2-CD1 4Å; V64-Y101 HydrophobicContact CG2-CE1 4.49Å; L83-Y101 HydrophobicContact CD2-CE2 3.68Å; L83-Y101 HydrophobicContact CG-CE2 3.99Å; L83-Y101 PolarHBondContact O-OH 2.94Å; L84-Y101 VanDerWaalsContact C-OH 3.28Å; E85-Y101 HydrophobicContact CB-CD1 4.3Å; E85-Y101 HydrophobicContact CB-CE1 3.63Å; E85-Y101 HydrophobicContact CB-CE2 4Å; E85-Y101 VanDerWaalsContact CB-CZ 3.46Å; E85-Y101 PolarHBondContact N-OH 2.89Å; E85-Y101 WeakPolarHBondContact OE2-CD1 3.35Å; F97-Y101 AromaticContact CE1-CD2 3.46Å; F97-Y101 HydrophobicContact CE1-CD2 3.46Å; F97-Y101 VanDerWaalsContact CE1-CD2 3.46Å; F97-Y101 HydrophobicContact CE1-CE2 4.21Å; F97-Y101 AromaticContact CE1-CG 3.9Å; F97-Y101 HydrophobicContact CE1-CG 3.9Å; F97-Y101 AromaticContact CZ-CD2 3.61Å; F97-Y101 HydrophobicContact CZ-CD2 3.61Å; F97-Y101 HydrophobicContact CZ-CE2 4.46Å; F97-Y101 HydrophobicContact CZ-CG 4.28Å; F97-Y101 PolarHBondContact O-N 2.79Å; A98-Y101 PolarHBondContact O-N 2.96Å; A98-Y101 VanDerWaalsContact O-N 3.12Å; Y101-K103 PolarHBondContact O-N 3.06Å; Y101-I104 HydrophobicContact CD2-CD1 4.31Å; Y101-I104 WeakPolarHBondContact O-CB 3.35Å; Y101-I104 PolarHBondContact O-N 2.96Å; Y101-A105 PolarHBondContact O-N 3.1Å; Y101-V117 HydrophobicContact CD1-CG1 4.08Å; Y101-V117 HydrophobicContact CD2-CG1 4.41Å; Y101-V117 HydrophobicContact CE1-CG1 3.44Å; Y101-V117 VanDerWaalsContact CE1-CG1 3.44Å; Y101-V117 HydrophobicContact CE2-CG1 3.83Å; Y101-V117 WeakPolarHBondContact OH-CG1 3.43Å; Y101-A118 WeakPolarHBondContact CE1-O 3.34Å; Y101-A118 PolarHBondContact OH-O 3.07Å; Y101-K119 HydrophobicContact CE1-CB 4.38Å
102	E	97	Very high	94.1	Very high	55 Å²	55	66.6 Å²	66.6	26%	0.257	34%	0.342	S	S	.	.	H	α-helix	trans	-61.1	-40	171.6	-70.3	169.9	179.1	0	0	112.3	N62 V64 A98 E100 A105 N106	N62-E102 HydrophobicContact CB-CG 3.77Å; N62-E102 WeakPolarHBondContact CB-OE1 3.44Å; N62-E102 PolarHBondContact ND2-OE1 3.44Å; V64-E102 HydrophobicContact CG2-CG 4.16Å; A98-E102 WeakPolarHBondContact O-CG 3.44Å; A98-E102 PolarHBondContact O-N 2.65Å; E100-E102 VanDerWaalsContact C-N 3.33Å; E100-E102 PolarHBondContact O-N 2.97Å; E102-A105 PolarHBondContact O-N 3.4Å; E102-N106 PolarHBondContact O-N 2.81Å; E102-N106 VanDerWaalsContact O-N 3.11Å; E102-N106 PolarHBondContact O-ND2 2.73Å
103	K	96.4	Very high	93.7	Very high	101 Å²	101	69.6 Å²	69.6	44%	0.439	35%	0.354	S	S	.	.	H	α-helix	trans	-66.7	-40.6	174.3	-62.9	172	-161.3	160.3	0	111.8	P99 E100 Y101 A105 N106 I107 Q157	P99-K103 WeakPolarHBondContact O-CG 3.49Å; P99-K103 PolarHBondContact O-N 2.65Å; E100-K103 WeakPolarHBondContact O-CB 3.48Å; E100-K103 PolarHBondContact O-N 3.04Å; E100-K103 VanDerWaalsContact O-N 3.15Å; E100-K103 IonicContact OE2-NZ 3.6Å; E100-K103 PolarHBondContact OE2-NZ 3.27Å; Y101-K103 PolarHBondContact O-N 3.06Å; K103-A105 VanDerWaalsContact C-N 3.29Å; K103-A105 PolarHBondContact O-N 2.82Å; K103-N106 PolarHBondContact O-N 3.13Å; K103-I107 WeakPolarHBondContact O-CG1 3.37Å; K103-I107 PolarHBondContact O-N 3.41Å; K103-Q157 VanDerWaalsContact CB-OE1 3.22Å
104	I	97.2	Very high	93.7	Very high	0 Å²	0	67.8 Å²	67.8	0%	0	35%	0.352	C	S	.	.	H	α-helix	trans	-58.6	-45.1	175.5	-67	165	0	0	0	109.8	L83 F97 E100 Y101 N106 I107 L108 Q157 I160 V161	L83-I104 HydrophobicContact CD2-CG2 3.57Å; F97-I104 HydrophobicContact CE2-CD1 4.39Å; F97-I104 HydrophobicContact CZ-CD1 4.2Å; E100-I104 WeakPolarHBondContact O-CG1 3.26Å; E100-I104 PolarHBondContact O-N 2.62Å; Y101-I104 HydrophobicContact CD2-CD1 4.31Å; Y101-I104 WeakPolarHBondContact O-CB 3.35Å; Y101-I104 PolarHBondContact O-N 2.96Å; I104-N106 PolarHBondContact O-N 3.21Å; I104-I107 PolarHBondContact O-N 2.94Å; I104-L108 HydrophobicContact CG2-CD1 3.72Å; I104-L108 HydrophobicContact CG2-CG 4.29Å; I104-L108 WeakPolarHBondContact O-CB 3.14Å; I104-L108 WeakPolarHBondContact O-CG 3.32Å; I104-L108 PolarHBondContact O-N 2.97Å; I104-Q157 HydrophobicContact CG1-CB 4.01Å; I104-Q157 HydrophobicContact CG1-CG 3.84Å; I104-I160 HydrophobicContact CD1-CB 3.92Å; I104-I160 HydrophobicContact CD1-CD1 3.66Å; I104-I160 HydrophobicContact CD1-CG1 4.39Å; I104-I160 HydrophobicContact CD1-CG2 3.97Å; I104-I160 HydrophobicContact CG2-CG2 4.21Å; I104-V161 HydrophobicContact CB-CG2 4.45Å; I104-V161 HydrophobicContact CG1-CG2 4.21Å; I104-V161 HydrophobicContact CG2-CG2 4.01Å
105	A	97	Very high	93.7	Very high	3 Å²	3	68.2 Å²	68.2	3%	0.025	35%	0.354	C	S	.	.	H	α-helix	trans	-57.6	-47.8	176.2	0	0	0	0	0	112.6	G63 V64 Y101 E102 K103 I107 L108 K109 V117	G63-A105 WeakPolarHBondContact O-CB 3.48Å; V64-A105 HydrophobicContact CG2-CB 3.89Å; Y101-A105 PolarHBondContact O-N 3.1Å; E102-A105 PolarHBondContact O-N 3.4Å; K103-A105 VanDerWaalsContact C-N 3.29Å; K103-A105 PolarHBondContact O-N 2.82Å; A105-I107 PolarHBondContact O-N 3.35Å; A105-L108 PolarHBondContact O-N 3.35Å; A105-K109 VanDerWaalsContact O-CB 3.3Å; A105-K109 WeakPolarHBondContact O-CB 3.43Å; A105-K109 PolarHBondContact O-N 3.27Å; A105-V117 HydrophobicContact CB-CB 3.77Å; A105-V117 HydrophobicContact CB-CG1 3.98Å; A105-V117 HydrophobicContact CB-CG2 4.1Å
106	N	95.2	Very high	93.7	Very high	85 Å²	85	63.1 Å²	63.1	46%	0.455	34%	0.335	S	S	.	.	H	α-helix	trans	-59.4	-43.5	176.4	-72.4	-59.1	0	0	0	112.5	E102 K103 I104 L108 K109 D110	E102-N106 PolarHBondContact O-N 2.81Å; E102-N106 VanDerWaalsContact O-N 3.11Å; E102-N106 PolarHBondContact O-ND2 2.73Å; K103-N106 PolarHBondContact O-N 3.13Å; I104-N106 PolarHBondContact O-N 3.21Å; N106-L108 VanDerWaalsContact C-N 3.34Å; N106-L108 PolarHBondContact O-N 3.07Å; N106-K109 PolarHBondContact O-N 2.71Å; N106-D110 PolarHBondContact O-N 2.87Å
107	I	95.1	Very high	93.9	Very high	47 Å²	47	55.9 Å²	55.9	24%	0.241	30%	0.302	C	S	.	.	H	α-helix	trans	-65.8	-36.8	179.4	-69.3	165.5	0	0	0	112.4	K103 I104 A105 Q157 V161	K103-I107 WeakPolarHBondContact O-CG1 3.37Å; K103-I107 PolarHBondContact O-N 3.41Å; I104-I107 PolarHBondContact O-N 2.94Å; A105-I107 PolarHBondContact O-N 3.35Å; I107-Q157 HydrophobicContact CD1-CG 3.61Å; I107-V161 HydrophobicContact CG2-CG1 3.99Å; I107-V161 HydrophobicContact CG2-CG2 4.15Å
108	L	95.5	Very high	93.9	Very high	0 Å²	0	55.5 Å²	55.5	0%	0	30%	0.3	C	S	.	.	H	α-helix	trans	-81.9	-23.3	-178.9	-69.5	-179	0	0	0	112.5	L83 I104 A105 N106 K111 I115 V117 V161 V164	L83-L108 HydrophobicContact CD2-CD1 4Å; I104-L108 HydrophobicContact CG2-CD1 3.72Å; I104-L108 HydrophobicContact CG2-CG 4.29Å; I104-L108 WeakPolarHBondContact O-CB 3.14Å; I104-L108 WeakPolarHBondContact O-CG 3.32Å; I104-L108 PolarHBondContact O-N 2.97Å; A105-L108 PolarHBondContact O-N 3.35Å; N106-L108 VanDerWaalsContact C-N 3.34Å; N106-L108 PolarHBondContact O-N 3.07Å; L108-K111 WeakPolarHBondContact O-CB 3.22Å; L108-K111 PolarHBondContact O-N 3.11Å; L108-I115 HydrophobicContact CB-CB 4.17Å; L108-I115 HydrophobicContact CD1-CG2 4.39Å; L108-I115 HydrophobicContact CD2-CD1 4.34Å; L108-I115 PolarHBondContact O-N 3.28Å; L108-V117 HydrophobicContact CB-CG2 3.97Å; L108-V117 HydrophobicContact CD1-CG2 3.59Å; L108-V117 HydrophobicContact CG-CG2 4.36Å; L108-V161 HydrophobicContact CD2-CG1 4.47Å; L108-V164 HydrophobicContact CD1-CB 4.35Å; L108-V164 HydrophobicContact CD1-CG1 3.84Å; L108-V164 HydrophobicContact CD1-CG2 4.35Å; L108-V164 HydrophobicContact CD2-CB 4.49Å; L108-V164 HydrophobicContact CD2-CG1 3.92Å
109	K	92	Very high	94.1	Very high	103 Å²	103	55.3 Å²	55.3	45%	0.448	29%	0.292	S	S	.	.	H	α-helix	trans	-69.1	-34.8	172	-165.3	169.9	-170.5	168	0	112.5	E60 A105 N106 K111	E60-K109 IonicContact OE1-NZ 2.65Å; E60-K109 PolarHBondContact OE1-NZ 3.23Å; E60-K109 IonicContact OE2-NZ 2.74Å; A105-K109 VanDerWaalsContact O-CB 3.3Å; A105-K109 WeakPolarHBondContact O-CB 3.43Å; A105-K109 PolarHBondContact O-N 3.27Å; N106-K109 PolarHBondContact O-N 2.71Å; K109-K111 PolarHBondContact O-N 3.27Å; K109-K111 VanDerWaalsContact O-N 3.14Å
110	D	87.5	Confident	94.2	Very high	145 Å²	145	52 Å²	52	78%	0.775	27%	0.271	S	S	*	.	T	Hydrogen-bonded Turn	trans	-74.5	7.1	177.2	-72.4	-17.6	0	0	0	114.2	N106	N106-D110 PolarHBondContact O-N 2.87Å
111	K	82.4	Confident	94.2	Very high	86 Å²	86	51.3 Å²	51.3	37%	0.374	27%	0.269	S	S	.	.	S	Bend	trans	-84.4	160.4	176.5	-74.1	-72.2	-177.5	-179.9	0	112.1	L108 K109 P113 P114	L108-K111 WeakPolarHBondContact O-CB 3.22Å; L108-K111 PolarHBondContact O-N 3.11Å; K109-K111 PolarHBondContact O-N 3.27Å; K109-K111 VanDerWaalsContact O-N 3.14Å; K111-P113 VanDerWaalsContact C-C 3.43Å; K111-P113 CarbonylContact C-O 3.49Å; K111-P113 VanDerWaalsContact CB-O 3.29Å; K111-P113 WeakPolarHBondContact CB-O 3.27Å; K111-P113 CarbonylContact O-C 3.44Å; K111-P113 VanDerWaalsContact O-C 3.25Å; K111-P114 WeakPolarHBondContact O-CA 3.27Å; K111-P114 VanDerWaalsContact O-CD 3.25Å; K111-P114 WeakPolarHBondContact O-CD 3.48Å; K111-P114 WeakPolarHBondContact O-CG 3.37Å
112	D	82.6	Confident	94.2	Very high	162 Å²	162	51.6 Å²	51.6	87%	0.866	27%	0.271	S	S	*	.	S	Bend	trans	-124.2	105.2	170.8	-174.2	16.5	0	0	0	109.1
113	P	87.4	Confident	94	Very high	103 Å²	103	52.1 Å²	52.1	67%	0.669	28%	0.278	S	S	*	.	S	Bend	cis	-72	155.3	-5	31.8	-35.3	0	0	0	112.4	K111	K111-P113 VanDerWaalsContact C-C 3.43Å; K111-P113 CarbonylContact C-O 3.49Å; K111-P113 VanDerWaalsContact CB-O 3.29Å; K111-P113 WeakPolarHBondContact CB-O 3.27Å; K111-P113 CarbonylContact O-C 3.44Å; K111-P113 VanDerWaalsContact O-C 3.25Å
114	P	92.6	Very high	93.9	Very high	80 Å²	80	51.2 Å²	51.2	52%	0.519	28%	0.284	S	S	.	.			trans	-59.8	141.4	173.1	-24.5	34	0	0	0	111.8	K111	K111-P114 WeakPolarHBondContact O-CA 3.27Å; K111-P114 VanDerWaalsContact O-CD 3.25Å; K111-P114 WeakPolarHBondContact O-CD 3.48Å; K111-P114 WeakPolarHBondContact O-CG 3.37Å
115	I	96.6	Very high	93.9	Very high	15 Å²	15	51.3 Å²	51.3	8%	0.077	29%	0.285	C	S	.	.			trans	-102.1	114	174.3	-63.4	173.5	0	0	0	108.3	T81 L108 V164	T81-I115 HydrophobicContact CG2-CG2 4.15Å; L108-I115 HydrophobicContact CB-CB 4.17Å; L108-I115 HydrophobicContact CD1-CG2 4.39Å; L108-I115 HydrophobicContact CD2-CD1 4.34Å; L108-I115 PolarHBondContact O-N 3.28Å; I115-V164 HydrophobicContact CD1-CG1 3.88Å; I115-V164 HydrophobicContact CG2-CG1 3.98Å
116	P	96.7	Very high	93.6	Very high	27 Å²	27	55 Å²	55	18%	0.175	31%	0.311	C	S	.	.			trans	-63.8	140.6	178.2	-19.6	31.7	0	0	0	112	L65 F75 K79 T81 V82 L83	L65-P116 HydrophobicContact CD1-CB 3.84Å; F75-P116 HydrophobicContact CE1-CB 4.09Å; F75-P116 HydrophobicContact CZ-CB 3.8Å; F75-P116 HydrophobicContact CZ-CG 4.15Å; K79-P116 HydrophobicContact CD-CG 4.17Å; T81-P116 WeakPolarHBondContact O-CD 3.4Å; V82-P116 HydrophobicContact CG1-CB 4.26Å; L83-P116 PolarHBondContact N-O 3.49Å
117	V	98.2	Very high	93.6	Very high	4 Å²	4	55.5 Å²	55.5	2%	0.024	32%	0.317	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120	120.4	175.8	-179.2	0	0	0	0	107.7	L65 L83 Y101 A105 L108	L65-V117 PolarHBondContact N-O 3.13Å; L83-V117 HydrophobicContact CB-CG1 4.44Å; L83-V117 HydrophobicContact CB-CG2 4.16Å; L83-V117 HydrophobicContact CD2-CG1 4.01Å; L83-V117 HydrophobicContact CD2-CG2 4.16Å; L83-V117 HydrophobicContact CG-CG1 4.38Å; L83-V117 WeakPolarHBondContact O-CA 3.33Å; Y101-V117 HydrophobicContact CD1-CG1 4.08Å; Y101-V117 HydrophobicContact CD2-CG1 4.41Å; Y101-V117 HydrophobicContact CE1-CG1 3.44Å; Y101-V117 VanDerWaalsContact CE1-CG1 3.44Å; Y101-V117 HydrophobicContact CE2-CG1 3.83Å; Y101-V117 WeakPolarHBondContact OH-CG1 3.43Å; A105-V117 HydrophobicContact CB-CB 3.77Å; A105-V117 HydrophobicContact CB-CG1 3.98Å; A105-V117 HydrophobicContact CB-CG2 4.1Å; L108-V117 HydrophobicContact CB-CG2 3.97Å; L108-V117 HydrophobicContact CD1-CG2 3.59Å; L108-V117 HydrophobicContact CG-CG2 4.36Å
118	A	98.2	Very high	93.6	Very high	0 Å²	0	53.5 Å²	53.5	0%	0	31%	0.307	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.2	154	-175	0	0	0	0	0	112.1	L65 L67 L83 L84 E85 Y101	L65-A118 HydrophobicContact CB-CB 4.03Å; L65-A118 CarbonylContact O-C 3.52Å; L65-A118 WeakPolarHBondContact O-CA 3.29Å; L67-A118 HydrophobicContact CD1-CB 3.54Å; L67-A118 HydrophobicContact CG-CB 3.86Å; L83-A118 PolarHBondContact O-N 2.97Å; L84-A118 CarbonylContact C-O 3.33Å; L84-A118 WeakPolarHBondContact CA-O 3.5Å; L84-A118 HydrophobicContact CD2-CB 4.02Å; E85-A118 PolarHBondContact N-O 3Å; Y101-A118 WeakPolarHBondContact CE1-O 3.34Å; Y101-A118 PolarHBondContact OH-O 3.07Å
119	K	98.3	Very high	93.5	Very high	31 Å²	31	54.1 Å²	54.1	14%	0.135	31%	0.312	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.3	143.4	172.7	66.6	-176.1	178.7	179.1	0	110.1	E61 V64 L65 V66 L67 E85 Y87 Y101	E61-K119 IonicContact OE2-NZ 2.77Å; E61-K119 PolarHBondContact OE2-NZ 3.23Å; V64-K119 HydrophobicContact CG1-CB 3.92Å; V64-K119 HydrophobicContact CG1-CD 3.91Å; V64-K119 HydrophobicContact CG1-CG 3.77Å; L65-K119 PolarHBondContact O-N 3.28Å; V66-K119 HydrophobicContact CG2-CG 4.42Å; L67-K119 PolarHBondContact N-O 3.48Å; E85-K119 HydrophobicContact CB-CB 4.44Å; E85-K119 CarbonylContact O-C 3.59Å; E85-K119 VanDerWaalsContact O-CA 3.26Å; E85-K119 WeakPolarHBondContact O-CA 3.46Å; Y87-K119 HydrophobicContact CD1-CB 4.02Å; Y87-K119 HydrophobicContact CE1-CB 3.93Å; Y87-K119 HydrophobicContact CE1-CD 4.12Å; Y87-K119 HydrophobicContact CE1-CG 3.95Å; Y101-K119 HydrophobicContact CE1-CB 4.38Å
120	I	98.4	Very high	93.3	Very high	0 Å²	0	53.4 Å²	53.4	0%	0	32%	0.32	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.1	121.4	-177.8	-58.9	93.5	0	0	0	108	L67 L84 E85 F86 Y87 A122 A125 L128	L67-I120 HydrophobicContact CB-CG1 3.96Å; L84-I120 HydrophobicContact CB-CD1 4.12Å; L84-I120 HydrophobicContact CD2-CD1 4.06Å; E85-I120 PolarHBondContact O-N 3.06Å; F86-I120 WeakPolarHBondContact CA-O 3.49Å; F86-I120 HydrophobicContact CD1-CB 3.73Å; F86-I120 HydrophobicContact CD1-CD1 4.4Å; F86-I120 HydrophobicContact CD1-CG1 4.4Å; F86-I120 HydrophobicContact CD1-CG2 3.88Å; F86-I120 HydrophobicContact CE1-CB 3.91Å; F86-I120 HydrophobicContact CE1-CD1 4.09Å; F86-I120 HydrophobicContact CE1-CG1 4.13Å; F86-I120 HydrophobicContact CE1-CG2 3.94Å; F86-I120 HydrophobicContact CZ-CD1 4.16Å; Y87-I120 VanDerWaalsContact CD1-C 3.46Å; Y87-I120 WeakPolarHBondContact CD1-O 3.42Å; Y87-I120 VanDerWaalsContact CE1-C 3.43Å; Y87-I120 PolarHBondContact N-O 2.85Å; I120-A122 PolarHBondContact O-N 2.89Å; I120-A125 HydrophobicContact CG2-CB 3.54Å; I120-L128 HydrophobicContact CG1-CD1 4.47Å; I120-L128 HydrophobicContact CG2-CB 4.42Å; I120-L128 HydrophobicContact CG2-CD1 3.97Å
121	D	97.5	Very high	93.4	Very high	29 Å²	29	52 Å²	52	16%	0.155	30%	0.304	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.6	97.9	168.5	-177.9	-8.9	0	0	0	108.4	Y87 P89 T123 S124 A125	Y87-D121 HydrophobicContact CE1-CB 4.08Å; Y87-D121 HydrophobicContact CE2-CB 4.49Å; P89-D121 VanDerWaalsContact CD-OD1 3.28Å; P89-D121 WeakPolarHBondContact CD-OD1 3.29Å; P89-D121 VanDerWaalsContact CD-OD2 3.26Å; P89-D121 WeakPolarHBondContact CD-OD2 3.15Å; P89-D121 WeakPolarHBondContact CG-OD2 3.2Å; D121-T123 PolarHBondContact O-N 2.78Å; D121-T123 VanDerWaalsContact O-N 3.14Å; D121-T123 WeakPolarHBondContact OD1-CA 3.31Å; D121-T123 VanDerWaalsContact OD1-CB 3.31Å; D121-T123 WeakPolarHBondContact OD1-CB 2.89Å; D121-T123 PolarHBondContact OD1-N 2.79Å; D121-T123 PolarHBondContact OD1-OG1 2.81Å; D121-T123 PolarHBondContact OD2-OG1 2.78Å; D121-S124 WeakPolarHBondContact CB-OG 3.44Å; D121-S124 PolarHBondContact O-N 2.73Å; D121-S124 PolarHBondContact O-OG 3.3Å; D121-A125 VanDerWaalsContact O-CB 3.28Å; D121-A125 WeakPolarHBondContact O-CB 3.13Å; D121-A125 PolarHBondContact O-N 2.9Å
122	A	96.4	Very high	93.9	Very high	7 Å²	7	48.6 Å²	48.6	6%	0.058	29%	0.289	C	S	.	.	T	Hydrogen-bonded Turn	trans	-74.5	1.7	-178.4	0	0	0	0	0	113.2	F86 Y87 I120 A129 V134 Y137	F86-A122 HydrophobicContact CB-CB 4.09Å; F86-A122 HydrophobicContact CD1-CB 4.2Å; Y87-A122 PolarHBondContact O-N 3.18Å; I120-A122 PolarHBondContact O-N 2.89Å; A122-A129 HydrophobicContact CB-CB 3.82Å; A122-V134 HydrophobicContact CB-CG1 4.12Å; A122-Y137 HydrophobicContact CB-CD1 4.39Å; A122-Y137 HydrophobicContact CB-CE1 3.52Å
123	T	93.3	Very high	94	Very high	67 Å²	67	43.7 Å²	43.7	41%	0.411	26%	0.263	S	S	.	.	T	Hydrogen-bonded Turn	trans	-89.8	-21.7	170.8	71.4	0	0	0	0	112.8	A88 W90 D121	A88-T123 HydrophobicContact CB-CG2 3.45Å; A88-T123 VanDerWaalsContact CB-CG2 3.45Å; W90-T123 HydrophobicContact CZ2-CG2 4.41Å; D121-T123 PolarHBondContact O-N 2.78Å; D121-T123 VanDerWaalsContact O-N 3.14Å; D121-T123 WeakPolarHBondContact OD1-CA 3.31Å; D121-T123 VanDerWaalsContact OD1-CB 3.31Å; D121-T123 WeakPolarHBondContact OD1-CB 2.89Å; D121-T123 PolarHBondContact OD1-N 2.79Å; D121-T123 PolarHBondContact OD1-OG1 2.81Å; D121-T123 PolarHBondContact OD2-OG1 2.78Å
124	S	94.9	Very high	94.2	Very high	81 Å²	81	39.7 Å²	39.7	57%	0.566	24%	0.236	S	C	*	.	T	Hydrogen-bonded Turn	trans	-105.2	-38.3	171.9	55.4	0	0	0	0	112.4	D121 S126	D121-S124 WeakPolarHBondContact CB-OG 3.44Å; D121-S124 PolarHBondContact O-N 2.73Å; D121-S124 PolarHBondContact O-OG 3.3Å; S124-S126 VanDerWaalsContact C-N 3.31Å; S124-S126 PolarHBondContact O-N 2.84Å
125	A	95.8	Very high	93.9	Very high	2 Å²	2	41.5 Å²	41.5	2%	0.017	25%	0.251	C	S	.	.			trans	-83.7	69.3	178.7	0	0	0	0	0	111.8	D69 I120 D121 V127 L128 A129	D69-A125 VanDerWaalsContact CG-CA 3.5Å; D69-A125 VanDerWaalsContact OD1-C 3.3Å; D69-A125 WeakPolarHBondContact OD1-CA 3.39Å; D69-A125 WeakPolarHBondContact OD1-CB 3.4Å; D69-A125 VanDerWaalsContact OD2-CA 3.3Å; D69-A125 WeakPolarHBondContact OD2-CA 3.34Å; I120-A125 HydrophobicContact CG2-CB 3.54Å; D121-A125 VanDerWaalsContact O-CB 3.28Å; D121-A125 WeakPolarHBondContact O-CB 3.13Å; D121-A125 PolarHBondContact O-N 2.9Å; A125-V127 VanDerWaalsContact C-N 3.35Å; A125-V127 PolarHBondContact O-N 2.75Å; A125-L128 HydrophobicContact CB-CB 4.32Å; A125-L128 HydrophobicContact CB-CD1 4.26Å; A125-A129 VanDerWaalsContact O-CB 3.27Å; A125-A129 WeakPolarHBondContact O-CB 3.35Å; A125-A129 PolarHBondContact O-N 3.46Å
126	S	92.1	Very high	93.6	Very high	82 Å²	82	42.2 Å²	42.2	57%	0.573	26%	0.262	S	S	*	.	H	α-helix	trans	-67	-32.4	-173.6	69.7	0	0	0	0	113.4	D69 S124 S130	D69-S126 PolarHBondContact OD2-N 3.18Å; S124-S126 VanDerWaalsContact C-N 3.31Å; S124-S126 PolarHBondContact O-N 2.84Å; S126-S130 VanDerWaalsContact O-CB 3.29Å; S126-S130 WeakPolarHBondContact O-CB 3.34Å; S126-S130 PolarHBondContact O-N 3Å
127	V	93.8	Very high	93.6	Very high	95 Å²	95	43.9 Å²	43.9	58%	0.576	27%	0.265	S	S	*	.	H	α-helix	trans	-68.6	-47.3	178.8	-179.7	0	0	0	0	109.6	D69 A125 S130 R131	D69-V127 HydrophobicContact CB-CB 4.29Å; D69-V127 PolarHBondContact OD1-N 3.24Å; D69-V127 PolarHBondContact OD2-N 2.79Å; A125-V127 VanDerWaalsContact C-N 3.35Å; A125-V127 PolarHBondContact O-N 2.75Å; V127-S130 PolarHBondContact O-N 3.45Å; V127-R131 VanDerWaalsContact O-CB 3.27Å; V127-R131 WeakPolarHBondContact O-CB 2.78Å; V127-R131 PolarHBondContact O-N 3.22Å
128	L	95.4	Very high	93.5	Very high	4 Å²	4	44 Å²	44	2%	0.021	27%	0.266	C	S	.	.	H	α-helix	trans	-66.6	-44.4	176.1	-68.9	173.8	0	0	0	112.2	N68 D69 F72 F86 I120 A125 S130 R131 F132	N68-L128 VanDerWaalsContact O-CD1 3.31Å; N68-L128 WeakPolarHBondContact O-CD1 3.2Å; D69-L128 WeakPolarHBondContact OD1-CB 3.49Å; D69-L128 WeakPolarHBondContact OD1-CG 3.35Å; D69-L128 PolarHBondContact OD1-N 2.79Å; F72-L128 HydrophobicContact CB-CD1 3.64Å; F72-L128 HydrophobicContact CB-CD2 3.86Å; F72-L128 HydrophobicContact CB-CG 4.33Å; F72-L128 HydrophobicContact CD1-CD2 3.45Å; F72-L128 VanDerWaalsContact CD1-CD2 3.45Å; F72-L128 HydrophobicContact CD2-CD1 3.83Å; F72-L128 HydrophobicContact CD2-CD2 3.91Å; F72-L128 HydrophobicContact CE1-CD2 3.95Å; F72-L128 HydrophobicContact CE2-CD2 4.36Å; F72-L128 HydrophobicContact CG-CD1 3.79Å; F72-L128 HydrophobicContact CG-CD2 3.45Å; F72-L128 VanDerWaalsContact CG-CD2 3.45Å; F72-L128 HydrophobicContact CG-CG 4.28Å; F72-L128 HydrophobicContact CZ-CD2 4.39Å; F86-L128 HydrophobicContact CE1-CB 4.13Å; I120-L128 HydrophobicContact CG1-CD1 4.47Å; I120-L128 HydrophobicContact CG2-CB 4.42Å; I120-L128 HydrophobicContact CG2-CD1 3.97Å; A125-L128 HydrophobicContact CB-CB 4.32Å; A125-L128 HydrophobicContact CB-CD1 4.26Å; L128-S130 PolarHBondContact O-N 3.19Å; L128-R131 PolarHBondContact O-N 3.02Å; L128-F132 HydrophobicContact CB-CD2 4.43Å; L128-F132 HydrophobicContact CD2-CD2 4.24Å; L128-F132 HydrophobicContact CD2-CE2 3.87Å; L128-F132 WeakPolarHBondContact O-CB 3.34Å; L128-F132 WeakPolarHBondContact O-CD2 3.44Å; L128-F132 PolarHBondContact O-N 3.04Å
129	A	93.2	Very high	93.4	Very high	13 Å²	13	45.4 Å²	45.4	11%	0.107	27%	0.274	C	S	.	.	H	α-helix	trans	-55.9	-41.2	176.8	0	0	0	0	0	111.4	A122 A125 D133 V134	A122-A129 HydrophobicContact CB-CB 3.82Å; A125-A129 VanDerWaalsContact O-CB 3.27Å; A125-A129 WeakPolarHBondContact O-CB 3.35Å; A125-A129 PolarHBondContact O-N 3.46Å; A129-D133 PolarHBondContact O-N 3.39Å; A129-D133 VanDerWaalsContact O-N 3.11Å; A129-V134 HydrophobicContact CB-CB 4.32Å; A129-V134 PolarHBondContact O-N 3.24Å
130	S	88.4	Confident	93.4	Very high	88 Å²	88	44.2 Å²	44.2	62%	0.615	27%	0.27	S	S	*	.	H	α-helix	trans	-69.3	-49.4	174.4	-176.4	0	0	0	0	112.7	S126 V127 L128 F132 D133	S126-S130 VanDerWaalsContact O-CB 3.29Å; S126-S130 WeakPolarHBondContact O-CB 3.34Å; S126-S130 PolarHBondContact O-N 3Å; V127-S130 PolarHBondContact O-N 3.45Å; L128-S130 PolarHBondContact O-N 3.19Å; S130-F132 VanDerWaalsContact C-N 3.25Å; S130-F132 PolarHBondContact O-N 3.12Å; S130-D133 PolarHBondContact O-N 2.87Å
131	R	89.9	Confident	93.3	Very high	117 Å²	117	44.9 Å²	44.9	44%	0.442	27%	0.272	S	S	.	.	H	α-helix	trans	-53.9	-44.1	178.9	177.6	177.2	176.4	176	-4.6	111.6	D73 V127 L128	D73-R131 IonicContact OD1-CZ 3.64Å; D73-R131 VanDerWaalsContact OD1-CZ 3.26Å; D73-R131 IonicContact OD1-NH1 3.42Å; D73-R131 PolarHBondContact OD1-NH1 2.99Å; D73-R131 IonicContact OD1-NH2 2.65Å; D73-R131 PolarHBondContact OD1-NH2 3.01Å; D73-R131 IonicContact OD2-NH1 3.05Å; D73-R131 PolarHBondContact OD2-NH1 2.82Å; V127-R131 VanDerWaalsContact O-CB 3.27Å; V127-R131 WeakPolarHBondContact O-CB 2.78Å; V127-R131 PolarHBondContact O-N 3.22Å; L128-R131 PolarHBondContact O-N 3.02Å
132	F	92	Very high	93.3	Very high	13 Å²	13	43.5 Å²	43.5	6%	0.057	27%	0.265	C	S	.	.	T	Hydrogen-bonded Turn	trans	-91.5	4.1	-178.1	-73.6	-78.8	0	0	0	113.8	F72 L84 F86 L128 S130 V134 K141 L143 A148	F72-F132 AromaticContact CE1-CE2 3.67Å; F72-F132 HydrophobicContact CE1-CE2 3.67Å; F72-F132 AromaticContact CE1-CZ 3.73Å; F72-F132 HydrophobicContact CE1-CZ 3.73Å; F72-F132 HydrophobicContact CE2-CE2 4.11Å; F72-F132 HydrophobicContact CE2-CZ 4.3Å; F72-F132 AromaticContact CZ-CE2 3.43Å; F72-F132 HydrophobicContact CZ-CE2 3.43Å; F72-F132 VanDerWaalsContact CZ-CE2 3.43Å; F72-F132 AromaticContact CZ-CZ 3.35Å; F72-F132 HydrophobicContact CZ-CZ 3.35Å; L84-F132 HydrophobicContact CD1-CE1 4.16Å; L84-F132 HydrophobicContact CD1-CZ 4.18Å; F86-F132 HydrophobicContact CE1-CB 4.16Å; F86-F132 HydrophobicContact CE1-CD2 4.01Å; F86-F132 HydrophobicContact CE1-CG 4.27Å; F86-F132 HydrophobicContact CE2-CB 3.88Å; F86-F132 HydrophobicContact CE2-CD1 4.32Å; F86-F132 HydrophobicContact CE2-CD2 4.34Å; F86-F132 AromaticContact CE2-CG 3.93Å; F86-F132 HydrophobicContact CE2-CG 3.93Å; F86-F132 HydrophobicContact CZ-CB 3.57Å; F86-F132 HydrophobicContact CZ-CD1 4.14Å; F86-F132 AromaticContact CZ-CD2 3.41Å; F86-F132 HydrophobicContact CZ-CD2 3.41Å; F86-F132 VanDerWaalsContact CZ-CD2 3.41Å; F86-F132 HydrophobicContact CZ-CE2 4.12Å; F86-F132 AromaticContact CZ-CG 3.42Å; F86-F132 HydrophobicContact CZ-CG 3.42Å; F86-F132 VanDerWaalsContact CZ-CG 3.42Å; L128-F132 HydrophobicContact CB-CD2 4.43Å; L128-F132 HydrophobicContact CD2-CD2 4.24Å; L128-F132 HydrophobicContact CD2-CE2 3.87Å; L128-F132 WeakPolarHBondContact O-CB 3.34Å; L128-F132 WeakPolarHBondContact O-CD2 3.44Å; L128-F132 PolarHBondContact O-N 3.04Å; S130-F132 VanDerWaalsContact C-N 3.25Å; S130-F132 PolarHBondContact O-N 3.12Å; F132-V134 HydrophobicContact CB-CG2 4.13Å; F132-V134 PolarHBondContact O-N 3.49Å; F132-K141 HydrophobicContact CB-CD 4.1Å; F132-K141 HydrophobicContact CD1-CD 3.72Å; F132-K141 HydrophobicContact CG-CD 4.33Å; F132-K141 WeakPolarHBondContact O-CE 3.38Å; F132-K141 PolarHBondContact O-NZ 3.34Å; F132-L143 HydrophobicContact CE1-CD1 4.02Å; F132-L143 HydrophobicContact CZ-CD1 4.21Å; F132-A148 HydrophobicContact CD1-CB 3.92Å; F132-A148 HydrophobicContact CE1-CB 3.78Å
133	D	85.9	Confident	93.3	Very high	59 Å²	59	43.5 Å²	43.5	32%	0.316	26%	0.264	S	S	.	.	T	Hydrogen-bonded Turn	trans	55.4	46.3	177.2	-161.8	36.7	0	0	0	113.5	A129 S130 S135 K210	A129-D133 PolarHBondContact O-N 3.39Å; A129-D133 VanDerWaalsContact O-N 3.11Å; S130-D133 PolarHBondContact O-N 2.87Å; D133-S135 PolarHBondContact O-N 3.28Å; D133-K210 HydrophobicContact CB-CD 3.82Å; D133-K210 VanDerWaalsContact OD2-CB 3.32Å; D133-K210 WeakPolarHBondContact OD2-CB 3.11Å
134	V	90.3	Very high	93.3	Very high	19 Å²	19	40.7 Å²	40.7	12%	0.115	25%	0.246	C	C	.	.			trans	-78.1	106.4	-178.8	-177.5	0	0	0	0	109.7	F86 A122 A129 F132 Y137	F86-V134 HydrophobicContact CB-CB 4.37Å; F86-V134 HydrophobicContact CB-CG1 3.75Å; F86-V134 HydrophobicContact CB-CG2 3.66Å; F86-V134 HydrophobicContact CD1-CG2 3.6Å; F86-V134 HydrophobicContact CD2-CG2 3.79Å; F86-V134 HydrophobicContact CE1-CG2 4.16Å; F86-V134 HydrophobicContact CE2-CG2 4.34Å; F86-V134 HydrophobicContact CG-CG1 4.42Å; F86-V134 HydrophobicContact CG-CG2 3.38Å; A122-V134 HydrophobicContact CB-CG1 4.12Å; A129-V134 HydrophobicContact CB-CB 4.32Å; A129-V134 PolarHBondContact O-N 3.24Å; F132-V134 HydrophobicContact CB-CG2 4.13Å; F132-V134 PolarHBondContact O-N 3.49Å; V134-Y137 HydrophobicContact CG1-CD1 3.95Å; V134-Y137 HydrophobicContact CG1-CE1 3.54Å
135	S	86.6	Confident	93.1	Very high	118 Å²	118	43.7 Å²	43.7	83%	0.825	25%	0.249	S	C	*	.			trans	-107.2	-2.7	-179	58.7	0	0	0	0	114.3	D133	D133-S135 PolarHBondContact O-N 3.28Å
136	G	91.3	Very high	92.7	Very high	30 Å²	30	46.3 Å²	46.3	31%	0.309	28%	0.276	S	S	.	.	S	Bend	trans	-165.1	170.6	179.7	0	0	0	0	0	112.3	T139	G136-T139 PolarHBondContact O-OG1 2.91Å
137	Y	95.6	Very high	92.6	Very high	63 Å²	63	47.4 Å²	47.4	25%	0.247	27%	0.272	C	S	.	.	S	Bend	trans	-133.4	141.5	-172.7	-47.5	-64.7	0	0	0	112.9	A88 W90 A122 V134	A88-Y137 HydrophobicContact CB-CD1 4.35Å; A88-Y137 HydrophobicContact CB-CD2 3.5Å; A88-Y137 HydrophobicContact CB-CE2 3.71Å; A88-Y137 HydrophobicContact CB-CG 3.84Å; W90-Y137 HydrophobicContact CH2-CD2 4.07Å; W90-Y137 HydrophobicContact CH2-CE2 4.07Å; W90-Y137 HydrophobicContact CZ2-CD2 4.35Å; W90-Y137 HydrophobicContact CZ2-CE2 4.02Å; A122-Y137 HydrophobicContact CB-CD1 4.39Å; A122-Y137 HydrophobicContact CB-CE1 3.52Å; V134-Y137 HydrophobicContact CG1-CD1 3.95Å; V134-Y137 HydrophobicContact CG1-CE1 3.54Å
138	P	96.2	Very high	92.5	Very high	6 Å²	6	45 Å²	45	4%	0.039	26%	0.262	C	S	.	.	S	Bend	cis	-71.3	144.7	-13.6	29.6	-34.4	0	0	0	111.3	E85 F86 C94 F97 R155	E85-P138 HydrophobicContact CG-CB 3.96Å; E85-P138 WeakPolarHBondContact OE1-CB 3.48Å; F86-P138 WeakPolarHBondContact O-CA 3.26Å; C94-P138 VanDerWaalsContact SG-CD 3.55Å; C94-P138 VanDerWaalsContact SG-N 3.42Å; F97-P138 HydrophobicContact CD1-CG 4.28Å; P138-R155 VanDerWaalsContact CD-CZ 3.49Å; P138-R155 PolarHBondContact O-NH2 3.37Å
139	T	96.7	Very high	92.3	Very high	29 Å²	29	45.9 Å²	45.9	18%	0.178	27%	0.267	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.2	128.3	168.2	-71.9	0	0	0	0	108.4	E85 F86 G136 K141	E85-T139 WeakPolarHBondContact CA-O 3.23Å; F86-T139 HydrophobicContact CD2-CG2 4.48Å; F86-T139 PolarHBondContact N-O 2.85Å; F86-T139 PolarHBondContact O-N 3.47Å; G136-T139 PolarHBondContact O-OG1 2.91Å; T139-K141 HydrophobicContact CG2-CG 4.3Å
140	I	97.8	Very high	92.2	Very high	7 Å²	7	49.5 Å²	49.5	4%	0.036	29%	0.285	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.3	131.7	-176.7	-59.1	167.7	0	0	0	108.5	L83 L84 F97 Y151 R155 I160	L83-I140 HydrophobicContact CD1-CG2 3.68Å; L84-I140 CarbonylContact O-C 3.25Å; L84-I140 WeakPolarHBondContact O-CA 3.07Å; F97-I140 HydrophobicContact CE1-CD1 3.81Å; F97-I140 HydrophobicContact CE1-CG1 4.36Å; F97-I140 HydrophobicContact CZ-CD1 3.8Å; I140-Y151 HydrophobicContact CB-CD1 4.05Å; I140-Y151 HydrophobicContact CB-CG 4.34Å; I140-Y151 HydrophobicContact CD1-CD1 4.02Å; I140-Y151 HydrophobicContact CD1-CE1 4.43Å; I140-Y151 HydrophobicContact CG2-CD1 4.11Å; I140-Y151 HydrophobicContact CG2-CG 4.08Å; I140-Y151 WeakPolarHBondContact O-CB 3.35Å; I140-Y151 PolarHBondContact O-N 3.29Å; I140-Y151 VanDerWaalsContact O-N 3.1Å; I140-R155 HydrophobicContact CD1-CG 4.25Å; I140-I160 HydrophobicContact CD1-CD1 3.77Å
141	K	97.1	Very high	92.5	Very high	13 Å²	13	46.5 Å²	46.5	6%	0.057	26%	0.26	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.4	147.8	175.6	-62.2	-173.3	-167.9	-92.4	0	111	L84 F86 F132 T139 A148 V149 D150	L84-K141 PolarHBondContact N-O 3.47Å; L84-K141 PolarHBondContact O-N 3.45Å; F86-K141 HydrophobicContact CE2-CD 4.13Å; F86-K141 HydrophobicContact CE2-CG 4.46Å; F132-K141 HydrophobicContact CB-CD 4.1Å; F132-K141 HydrophobicContact CD1-CD 3.72Å; F132-K141 HydrophobicContact CG-CD 4.33Å; F132-K141 WeakPolarHBondContact O-CE 3.38Å; F132-K141 PolarHBondContact O-NZ 3.34Å; T139-K141 HydrophobicContact CG2-CG 4.3Å; K141-A148 HydrophobicContact CD-CB 4.28Å; K141-V149 CarbonylContact C-O 3.59Å; K141-V149 WeakPolarHBondContact CA-O 3.43Å; K141-D150 IonicContact NZ-OD1 3.48Å; K141-D150 PolarHBondContact NZ-OD1 2.8Å
142	I	97.3	Very high	92.3	Very high	1 Å²	1	49.1 Å²	49.1	1%	0.005	28%	0.278	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.7	111.5	173	-53.1	164.1	0	0	0	106.8	T81 V82 L83 V149 K163 V164 V167	T81-I142 HydrophobicContact CG2-CG2 3.85Å; V82-I142 CarbonylContact O-C 3.46Å; L83-I142 HydrophobicContact CD1-CG1 3.94Å; I142-V149 HydrophobicContact CB-CB 4.35Å; I142-V149 PolarHBondContact N-O 2.93Å; I142-V149 WeakPolarHBondContact O-CB 3.45Å; I142-V149 PolarHBondContact O-N 3.4Å; I142-K163 HydrophobicContact CD1-CB 4.31Å; I142-K163 HydrophobicContact CD1-CG 3.75Å; I142-V164 HydrophobicContact CD1-CG2 3.86Å; I142-V164 HydrophobicContact CG1-CG2 3.98Å; I142-V167 HydrophobicContact CB-CG1 4.21Å; I142-V167 HydrophobicContact CD1-CB 4.31Å; I142-V167 HydrophobicContact CD1-CG2 3.97Å; I142-V167 HydrophobicContact CG2-CB 3.98Å; I142-V167 HydrophobicContact CG2-CG1 3.56Å
143	L	95.7	Very high	92.2	Very high	7 Å²	7	50.4 Å²	50.4	4%	0.037	30%	0.295	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.9	115	175.5	-166.7	72.2	0	0	0	108.5	F72 V76 T81 V82 L84 F132 G146 Q147 A148	F72-L143 HydrophobicContact CZ-CD2 4.19Å; V76-L143 HydrophobicContact CB-CD2 3.78Å; V76-L143 HydrophobicContact CG1-CD2 3.85Å; V76-L143 HydrophobicContact CG2-CD2 3.99Å; T81-L143 CarbonylContact C-O 3.59Å; T81-L143 WeakPolarHBondContact CA-O 2.96Å; V82-L143 HydrophobicContact CB-CB 4.24Å; V82-L143 PolarHBondContact N-O 3.33Å; V82-L143 PolarHBondContact O-N 3.06Å; L84-L143 HydrophobicContact CD1-CB 4.16Å; F132-L143 HydrophobicContact CE1-CD1 4.02Å; F132-L143 HydrophobicContact CZ-CD1 4.21Å; L143-G146 VanDerWaalsContact CD1-C 3.48Å; L143-G146 WeakPolarHBondContact CD1-O 3.38Å; L143-Q147 CarbonylContact C-O 3.52Å; L143-Q147 WeakPolarHBondContact CA-O 3.43Å; L143-A148 HydrophobicContact CD1-CB 4.36Å
144	K	94.2	Very high	92.6	Very high	8 Å²	8	49.7 Å²	49.7	4%	0.035	29%	0.294	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.1	110.5	177.1	-179.3	61.8	168.1	-177.1	0	109.2	D80 T81 G146 Q147 V167 S168 Q169 W172	D80-K144 CarbonylContact O-C 3.58Å; D80-K144 WeakPolarHBondContact O-CA 3.2Å; D80-K144 IonicContact OD1-NZ 2.65Å; D80-K144 IonicContact OD2-NZ 2.83Å; D80-K144 PolarHBondContact OD2-NZ 3.45Å; T81-K144 VanDerWaalsContact OG1-CD 3.26Å; T81-K144 WeakPolarHBondContact OG1-CD 3.41Å; T81-K144 PolarHBondContact OG1-NZ 3.36Å; K144-G146 PolarHBondContact O-N 2.86Å; K144-Q147 PolarHBondContact N-O 3.06Å; K144-Q147 WeakPolarHBondContact O-CB 3.44Å; K144-Q147 PolarHBondContact O-N 2.79Å; K144-V167 HydrophobicContact CB-CG1 3.87Å; K144-V167 VanDerWaalsContact CD-O 3.31Å; K144-V167 WeakPolarHBondContact CD-O 3.3Å; K144-V167 WeakPolarHBondContact CE-O 2.86Å; K144-V167 HydrophobicContact CG-CG1 4.25Å; K144-V167 PolarHBondContact NZ-O 3.26Å; K144-S168 VanDerWaalsContact NZ-C 3.3Å; K144-S168 PolarHBondContact NZ-O 3.02Å; K144-Q169 WeakPolarHBondContact CE-O 3.37Å; K144-Q169 PolarHBondContact NZ-O 2.83Å; K144-Q169 VanDerWaalsContact NZ-O 3.11Å; K144-W172 HydrophobicContact CB-CZ3 4.41Å; K144-W172 HydrophobicContact CG-CE3 3.99Å; K144-W172 HydrophobicContact CG-CZ3 4.26Å
145	K	90.6	Very high	92.8	Very high	144 Å²	144	53.9 Å²	53.9	63%	0.626	31%	0.308	S	S	*	.	T	Hydrogen-bonded Turn	trans	48.6	45.8	-176.6	-60.3	179	179.8	173	0	112.3	D80 Q147	D80-K145 PolarHBondContact O-N 3.1Å; D80-K145 WeakPolarHBondContact OD1-CE 3.36Å; D80-K145 WeakPolarHBondContact OD1-CG 3.46Å; K145-Q147 PolarHBondContact O-N 3.36Å
146	G	87.2	Confident	93.1	Very high	56 Å²	56	50.6 Å²	50.6	58%	0.577	28%	0.283	S	S	*	.	T	Hydrogen-bonded Turn	trans	78.8	-10	-176.6	0	0	0	0	0	115.8	L143 K144	L143-G146 VanDerWaalsContact CD1-C 3.48Å; L143-G146 WeakPolarHBondContact CD1-O 3.38Å; K144-G146 PolarHBondContact O-N 2.86Å
147	Q	88.8	Confident	93.3	Very high	105 Å²	105	51.2 Å²	51.2	49%	0.491	28%	0.278	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.9	123.9	175.1	-172.3	175.1	34.9	0	0	111.1	L143 K144 K145	L143-Q147 CarbonylContact C-O 3.52Å; L143-Q147 WeakPolarHBondContact CA-O 3.43Å; K144-Q147 PolarHBondContact N-O 3.06Å; K144-Q147 WeakPolarHBondContact O-CB 3.44Å; K144-Q147 PolarHBondContact O-N 2.79Å; K145-Q147 PolarHBondContact O-N 3.36Å
148	A	92	Very high	93.2	Very high	44 Å²	44	54.1 Å²	54.1	36%	0.364	29%	0.294	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.7	133.1	177.4	0	0	0	0	0	111.5	F132 K141 L143	F132-A148 HydrophobicContact CD1-CB 3.92Å; F132-A148 HydrophobicContact CE1-CB 3.78Å; K141-A148 HydrophobicContact CD-CB 4.28Å; L143-A148 HydrophobicContact CD1-CB 4.36Å
149	V	91.8	Very high	93.2	Very high	23 Å²	23	58.4 Å²	58.4	14%	0.139	31%	0.313	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.7	121.1	173.6	-174.4	0	0	0	0	108.5	K141 I142 V167 W172	K141-V149 CarbonylContact C-O 3.59Å; K141-V149 WeakPolarHBondContact CA-O 3.43Å; I142-V149 HydrophobicContact CB-CB 4.35Å; I142-V149 PolarHBondContact N-O 2.93Å; I142-V149 WeakPolarHBondContact O-CB 3.45Å; I142-V149 PolarHBondContact O-N 3.4Å; V149-V167 HydrophobicContact CG1-CG2 4.41Å; V149-V167 HydrophobicContact CG2-CG1 4.13Å; V149-W172 HydrophobicContact CB-CH2 4.44Å; V149-W172 HydrophobicContact CG1-CH2 4.21Å; V149-W172 HydrophobicContact CG1-CZ2 4.35Å; V149-W172 HydrophobicContact CG2-CH2 3.38Å; V149-W172 HydrophobicContact CG2-CZ2 4.22Å; V149-W172 HydrophobicContact CG2-CZ3 3.87Å
150	D	90.7	Very high	93.3	Very high	89 Å²	89	57 Å²	57	48%	0.476	31%	0.305	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-68.2	135.6	177.4	-71.4	-48	0	0	0	112.1	K141	K141-D150 IonicContact NZ-OD1 3.48Å; K141-D150 PolarHBondContact NZ-OD1 2.8Å
151	Y	93.9	Very high	93.2	Very high	25 Å²	25	57 Å²	57	10%	0.098	31%	0.305	C	S	.	.			trans	-102.7	106.9	172.1	-178.5	-93.8	0	0	0	110.7	I140 G153 S154 E159 I160 K163	I140-Y151 HydrophobicContact CB-CD1 4.05Å; I140-Y151 HydrophobicContact CB-CG 4.34Å; I140-Y151 HydrophobicContact CD1-CD1 4.02Å; I140-Y151 HydrophobicContact CD1-CE1 4.43Å; I140-Y151 HydrophobicContact CG2-CD1 4.11Å; I140-Y151 HydrophobicContact CG2-CG 4.08Å; I140-Y151 WeakPolarHBondContact O-CB 3.35Å; I140-Y151 PolarHBondContact O-N 3.29Å; I140-Y151 VanDerWaalsContact O-N 3.1Å; Y151-G153 VanDerWaalsContact CE1-C 3.44Å; Y151-G153 WeakPolarHBondContact CE1-O 3.44Å; Y151-G153 VanDerWaalsContact CZ-CA 3.48Å; Y151-G153 WeakPolarHBondContact OH-CA 3.34Å; Y151-S154 WeakPolarHBondContact CE1-O 3.42Å; Y151-S154 PolarHBondContact OH-N 2.87Å; Y151-S154 PolarHBondContact OH-O 3.25Å; Y151-E159 VanDerWaalsContact OH-CB 3.27Å; Y151-E159 WeakPolarHBondContact OH-CB 3.28Å; Y151-I160 HydrophobicContact CD1-CG1 4.24Å; Y151-I160 HydrophobicContact CE1-CD1 4.24Å; Y151-I160 HydrophobicContact CE1-CG1 3.54Å; Y151-I160 HydrophobicContact CE2-CG1 4.09Å; Y151-I160 VanDerWaalsContact CZ-CG1 3.45Å; Y151-I160 PolarHBondContact OH-N 2.85Å; Y151-K163 HydrophobicContact CD2-CB 3.97Å; Y151-K163 HydrophobicContact CD2-CG 3.87Å; Y151-K163 HydrophobicContact CE2-CB 3.75Å; Y151-K163 HydrophobicContact CE2-CG 4.11Å
152	E	86.5	Confident	93.1	Very high	172 Å²	172	59.1 Å²	59.1	80%	0.804	33%	0.325	S	S	*	.			trans	-101.9	7.3	-179.3	-63.6	-65.2	152.8	0	0	113.2
153	G	90.1	Very high	93.1	Very high	40 Å²	40	61.8 Å²	61.8	41%	0.412	34%	0.336	S	S	.	.	S	Bend	trans	-81.6	-174.6	-177.2	0	0	0	0	0	114.1	Y151	Y151-G153 VanDerWaalsContact CE1-C 3.44Å; Y151-G153 WeakPolarHBondContact CE1-O 3.44Å; Y151-G153 VanDerWaalsContact CZ-CA 3.48Å; Y151-G153 WeakPolarHBondContact OH-CA 3.34Å
154	S	93.6	Very high	93.1	Very high	44 Å²	44	61.5 Å²	61.5	31%	0.308	34%	0.335	S	S	.	.			trans	-71.7	151.4	176.2	77	0	0	0	0	111.7	Y151 T156 E159	Y151-S154 WeakPolarHBondContact CE1-O 3.42Å; Y151-S154 PolarHBondContact OH-N 2.87Å; Y151-S154 PolarHBondContact OH-O 3.25Å; S154-T156 PolarHBondContact O-N 2.91Å; S154-T156 WeakPolarHBondContact OG-CG2 3.47Å; S154-T156 PolarHBondContact OG-OG1 2.92Å; S154-E159 VanDerWaalsContact CB-OE2 3.22Å; S154-E159 WeakPolarHBondContact CB-OE2 3.44Å; S154-E159 PolarHBondContact N-OE2 3.14Å; S154-E159 PolarHBondContact OG-OE1 2.85Å; S154-E159 PolarHBondContact OG-OE2 3.04Å
155	R	94.3	Very high	93.1	Very high	108 Å²	108	66 Å²	66	41%	0.408	35%	0.352	S	S	.	.	S	Bend	trans	-81.7	47.7	-179.8	-61.8	176.5	-173.7	151.3	-6.5	112.5	F97 P138 I140	F97-R155 HydrophobicContact CD2-CB 3.8Å; F97-R155 HydrophobicContact CE2-CB 3.8Å; F97-R155 WeakPolarHBondContact CE2-O 3.33Å; P138-R155 VanDerWaalsContact CD-CZ 3.49Å; P138-R155 PolarHBondContact O-NH2 3.37Å; I140-R155 HydrophobicContact CD1-CG 4.25Å
156	T	94.3	Very high	93.3	Very high	49 Å²	49	63.6 Å²	63.6	30%	0.301	34%	0.342	S	S	.	.			trans	-105.7	146.8	178.9	59.9	0	0	0	0	110.5	S154 E158 E159 I160	S154-T156 PolarHBondContact O-N 2.91Å; S154-T156 WeakPolarHBondContact OG-CG2 3.47Å; S154-T156 PolarHBondContact OG-OG1 2.92Å; T156-E158 VanDerWaalsContact C-N 3.27Å; T156-E158 PolarHBondContact O-N 2.59Å; T156-E159 PolarHBondContact O-N 3.06Å; T156-E159 WeakPolarHBondContact OG1-CB 3.34Å; T156-I160 WeakPolarHBondContact O-CG1 3.36Å; T156-I160 PolarHBondContact O-N 2.94Å; T156-I160 VanDerWaalsContact O-N 3.13Å
157	Q	94	Very high	93.6	Very high	42 Å²	42	60.9 Å²	60.9	20%	0.196	32%	0.315	C	S	.	.	H	α-helix	trans	-54.5	-44.7	176.8	-180	-163.8	-73.3	0	0	111.8	E100 K103 I104 I107 V161	E100-Q157 HydrophobicContact CG-CB 4.19Å; E100-Q157 WeakPolarHBondContact OE1-CB 3.41Å; E100-Q157 PolarHBondContact OE1-N 3.45Å; E100-Q157 VanDerWaalsContact OE1-N 3.08Å; K103-Q157 VanDerWaalsContact CB-OE1 3.22Å; I104-Q157 HydrophobicContact CG1-CB 4.01Å; I104-Q157 HydrophobicContact CG1-CG 3.84Å; I107-Q157 HydrophobicContact CD1-CG 3.61Å; Q157-V161 HydrophobicContact CG-CG2 4.29Å; Q157-V161 WeakPolarHBondContact O-CB 3.28Å; Q157-V161 WeakPolarHBondContact O-CG2 3.26Å; Q157-V161 PolarHBondContact O-N 2.91Å
158	E	94.8	Very high	93.9	Very high	125 Å²	125	57 Å²	57	58%	0.584	30%	0.299	S	S	*	.	H	α-helix	trans	-62.1	-48.8	-176.7	-67	74.6	-160.8	0	0	112.5	T156 A162	T156-E158 VanDerWaalsContact C-N 3.27Å; T156-E158 PolarHBondContact O-N 2.59Å; E158-A162 VanDerWaalsContact O-CB 3.23Å; E158-A162 WeakPolarHBondContact O-CB 3.5Å; E158-A162 PolarHBondContact O-N 2.9Å
159	E	96.6	Very high	94	Very high	95 Å²	95	59.5 Å²	59.5	44%	0.444	30%	0.303	S	S	.	.	H	α-helix	trans	-72.9	-39.1	-176.3	-71.4	-174.3	-164.1	0	0	112.6	Y151 S154 T156 A162 K163	Y151-E159 VanDerWaalsContact OH-CB 3.27Å; Y151-E159 WeakPolarHBondContact OH-CB 3.28Å; S154-E159 VanDerWaalsContact CB-OE2 3.22Å; S154-E159 WeakPolarHBondContact CB-OE2 3.44Å; S154-E159 PolarHBondContact N-OE2 3.14Å; S154-E159 PolarHBondContact OG-OE1 2.85Å; S154-E159 PolarHBondContact OG-OE2 3.04Å; T156-E159 PolarHBondContact O-N 3.06Å; T156-E159 WeakPolarHBondContact OG1-CB 3.34Å; E159-A162 PolarHBondContact O-N 2.68Å; E159-K163 PolarHBondContact O-N 3.17Å
160	I	97.6	Very high	93.9	Very high	0 Å²	0	63.4 Å²	63.4	0%	0	33%	0.329	C	S	.	.	H	α-helix	trans	-65.4	-49.1	177.1	-67.2	169.2	0	0	0	109.7	L83 F97 I104 I140 Y151 T156 A162 K163 V164	L83-I160 HydrophobicContact CD1-CG2 4.2Å; L83-I160 HydrophobicContact CD2-CG2 3.8Å; F97-I160 HydrophobicContact CE2-CD1 3.79Å; F97-I160 HydrophobicContact CZ-CD1 3.47Å; F97-I160 VanDerWaalsContact CZ-CD1 3.47Å; I104-I160 HydrophobicContact CD1-CB 3.92Å; I104-I160 HydrophobicContact CD1-CD1 3.66Å; I104-I160 HydrophobicContact CD1-CG1 4.39Å; I104-I160 HydrophobicContact CD1-CG2 3.97Å; I104-I160 HydrophobicContact CG2-CG2 4.21Å; I140-I160 HydrophobicContact CD1-CD1 3.77Å; Y151-I160 HydrophobicContact CD1-CG1 4.24Å; Y151-I160 HydrophobicContact CE1-CD1 4.24Å; Y151-I160 HydrophobicContact CE1-CG1 3.54Å; Y151-I160 HydrophobicContact CE2-CG1 4.09Å; Y151-I160 VanDerWaalsContact CZ-CG1 3.45Å; Y151-I160 PolarHBondContact OH-N 2.85Å; T156-I160 WeakPolarHBondContact O-CG1 3.36Å; T156-I160 PolarHBondContact O-N 2.94Å; T156-I160 VanDerWaalsContact O-N 3.13Å; I160-A162 VanDerWaalsContact C-N 3.29Å; I160-A162 PolarHBondContact O-N 3.49Å; I160-K163 PolarHBondContact O-N 3.18Å; I160-V164 HydrophobicContact CG2-CG2 4.18Å; I160-V164 VanDerWaalsContact O-CG2 3.29Å; I160-V164 WeakPolarHBondContact O-CG2 3.31Å; I160-V164 PolarHBondContact O-N 3.21Å
161	V	96.3	Very high	93.8	Very high	7 Å²	7	65.3 Å²	65.3	4%	0.042	34%	0.34	C	S	.	.	H	α-helix	trans	-61.5	-39.4	178.7	170.1	0	0	0	0	111	I104 I107 L108 Q157 R165	I104-V161 HydrophobicContact CB-CG2 4.45Å; I104-V161 HydrophobicContact CG1-CG2 4.21Å; I104-V161 HydrophobicContact CG2-CG2 4.01Å; I107-V161 HydrophobicContact CG2-CG1 3.99Å; I107-V161 HydrophobicContact CG2-CG2 4.15Å; L108-V161 HydrophobicContact CD2-CG1 4.47Å; Q157-V161 HydrophobicContact CG-CG2 4.29Å; Q157-V161 WeakPolarHBondContact O-CB 3.28Å; Q157-V161 WeakPolarHBondContact O-CG2 3.26Å; Q157-V161 PolarHBondContact O-N 2.91Å; V161-R165 HydrophobicContact CG1-CG 4.38Å; V161-R165 VanDerWaalsContact CG1-NE 3.28Å; V161-R165 WeakPolarHBondContact O-CB 3.2Å; V161-R165 WeakPolarHBondContact O-CD 3.22Å; V161-R165 WeakPolarHBondContact O-CG 3.42Å; V161-R165 PolarHBondContact O-N 2.58Å
162	A	95.9	Very high	93.7	Very high	57 Å²	57	65.9 Å²	65.9	47%	0.471	34%	0.341	S	S	.	.	H	α-helix	trans	-61.5	-45.8	175.6	0	0	0	0	0	111.8	E158 E159 I160 R165 E166	E158-A162 VanDerWaalsContact O-CB 3.23Å; E158-A162 WeakPolarHBondContact O-CB 3.5Å; E158-A162 PolarHBondContact O-N 2.9Å; E159-A162 PolarHBondContact O-N 2.68Å; I160-A162 VanDerWaalsContact C-N 3.29Å; I160-A162 PolarHBondContact O-N 3.49Å; A162-R165 PolarHBondContact O-N 2.63Å; A162-E166 PolarHBondContact O-N 3.37Å
163	K	96	Very high	93.5	Very high	58 Å²	58	62.7 Å²	62.7	25%	0.252	33%	0.334	S	S	.	.	H	α-helix	trans	-68.8	-40.7	179.5	-172.3	55.2	174.6	179	0	112.5	I142 Y151 E159 I160 R165 E166 V167	I142-K163 HydrophobicContact CD1-CB 4.31Å; I142-K163 HydrophobicContact CD1-CG 3.75Å; Y151-K163 HydrophobicContact CD2-CB 3.97Å; Y151-K163 HydrophobicContact CD2-CG 3.87Å; Y151-K163 HydrophobicContact CE2-CB 3.75Å; Y151-K163 HydrophobicContact CE2-CG 4.11Å; E159-K163 PolarHBondContact O-N 3.17Å; I160-K163 PolarHBondContact O-N 3.18Å; K163-R165 VanDerWaalsContact C-N 3.3Å; K163-R165 PolarHBondContact O-N 3.23Å; K163-E166 VanDerWaalsContact CD-OE2 3.27Å; K163-E166 WeakPolarHBondContact CD-OE2 3.37Å; K163-E166 IonicContact NZ-OE1 2.82Å; K163-E166 PolarHBondContact NZ-OE1 3.06Å; K163-E166 IonicContact NZ-OE2 3.97Å; K163-E166 PolarHBondContact NZ-OE2 3.21Å; K163-E166 WeakPolarHBondContact O-CB 3.39Å; K163-E166 PolarHBondContact O-N 3.41Å; K163-V167 HydrophobicContact CD-CG2 4.16Å; K163-V167 HydrophobicContact CG-CG2 4.4Å; K163-V167 WeakPolarHBondContact O-CG2 3.31Å; K163-V167 PolarHBondContact O-N 3.34Å
164	V	96.7	Very high	93.2	Very high	0 Å²	0	63.1 Å²	63.1	0%	0	33%	0.33	C	S	.	.	H	α-helix	trans	-59.3	-43.2	173.5	173.4	0	0	0	0	110.6	L83 L108 I115 I142 I160 E166 V167 S168	L83-V164 HydrophobicContact CB-CG2 4.37Å; L83-V164 HydrophobicContact CD1-CG2 3.77Å; L83-V164 HydrophobicContact CD2-CG2 4.11Å; L83-V164 HydrophobicContact CG-CG2 4.3Å; L108-V164 HydrophobicContact CD1-CB 4.35Å; L108-V164 HydrophobicContact CD1-CG1 3.84Å; L108-V164 HydrophobicContact CD1-CG2 4.35Å; L108-V164 HydrophobicContact CD2-CB 4.49Å; L108-V164 HydrophobicContact CD2-CG1 3.92Å; I115-V164 HydrophobicContact CD1-CG1 3.88Å; I115-V164 HydrophobicContact CG2-CG1 3.98Å; I142-V164 HydrophobicContact CD1-CG2 3.86Å; I142-V164 HydrophobicContact CG1-CG2 3.98Å; I160-V164 HydrophobicContact CG2-CG2 4.18Å; I160-V164 VanDerWaalsContact O-CG2 3.29Å; I160-V164 WeakPolarHBondContact O-CG2 3.31Å; I160-V164 PolarHBondContact O-N 3.21Å; V164-E166 VanDerWaalsContact C-N 3.33Å; V164-E166 PolarHBondContact O-N 2.88Å; V164-V167 PolarHBondContact O-N 2.87Å; V164-S168 WeakPolarHBondContact O-CB 3.36Å; V164-S168 PolarHBondContact O-N 3.4Å; V164-S168 PolarHBondContact O-OG 3.4Å
165	R	93.7	Very high	92.4	Very high	104 Å²	104	66.1 Å²	66.1	39%	0.392	35%	0.348	S	S	.	.	H	α-helix	trans	-64.9	-35.5	177.4	-75.4	170.9	-177.5	175.9	3.9	113.5	V161 A162 K163 S168 Q169	V161-R165 HydrophobicContact CG1-CG 4.38Å; V161-R165 VanDerWaalsContact CG1-NE 3.28Å; V161-R165 WeakPolarHBondContact O-CB 3.2Å; V161-R165 WeakPolarHBondContact O-CD 3.22Å; V161-R165 WeakPolarHBondContact O-CG 3.42Å; V161-R165 PolarHBondContact O-N 2.58Å; A162-R165 PolarHBondContact O-N 2.63Å; K163-R165 VanDerWaalsContact C-N 3.3Å; K163-R165 PolarHBondContact O-N 3.23Å; R165-S168 PolarHBondContact O-OG 2.81Å; R165-Q169 PolarHBondContact O-NE2 3.03Å
166	E	94.3	Very high	91.8	Very high	92 Å²	92	66.6 Å²	66.6	43%	0.43	37%	0.365	S	S	.	.	H	α-helix	trans	-64.4	-53.8	173.4	-175.3	-152.2	126.7	0	0	110	A162 K163 V164 S168 Q169 W172	A162-E166 PolarHBondContact O-N 3.37Å; K163-E166 VanDerWaalsContact CD-OE2 3.27Å; K163-E166 WeakPolarHBondContact CD-OE2 3.37Å; K163-E166 IonicContact NZ-OE1 2.82Å; K163-E166 PolarHBondContact NZ-OE1 3.06Å; K163-E166 IonicContact NZ-OE2 3.97Å; K163-E166 PolarHBondContact NZ-OE2 3.21Å; K163-E166 WeakPolarHBondContact O-CB 3.39Å; K163-E166 PolarHBondContact O-N 3.41Å; V164-E166 VanDerWaalsContact C-N 3.33Å; V164-E166 PolarHBondContact O-N 2.88Å; E166-S168 VanDerWaalsContact C-N 3.27Å; E166-S168 PolarHBondContact O-N 3.11Å; E166-Q169 WeakPolarHBondContact O-CG 3.27Å; E166-Q169 PolarHBondContact O-N 2.91Å; E166-W172 PolarHBondContact OE1-NE1 3.27Å
167	V	94.6	Very high	91.5	Very high	0 Å²	0	69.7 Å²	69.7	0%	0	38%	0.376	C	S	.	.	H	α-helix	trans	-66.7	-29.2	-177.5	177.3	0	0	0	0	112.3	I142 K144 V149 K163 V164 Q169 W172	I142-V167 HydrophobicContact CB-CG1 4.21Å; I142-V167 HydrophobicContact CD1-CB 4.31Å; I142-V167 HydrophobicContact CD1-CG2 3.97Å; I142-V167 HydrophobicContact CG2-CB 3.98Å; I142-V167 HydrophobicContact CG2-CG1 3.56Å; K144-V167 HydrophobicContact CB-CG1 3.87Å; K144-V167 VanDerWaalsContact CD-O 3.31Å; K144-V167 WeakPolarHBondContact CD-O 3.3Å; K144-V167 WeakPolarHBondContact CE-O 2.86Å; K144-V167 HydrophobicContact CG-CG1 4.25Å; K144-V167 PolarHBondContact NZ-O 3.26Å; V149-V167 HydrophobicContact CG1-CG2 4.41Å; V149-V167 HydrophobicContact CG2-CG1 4.13Å; K163-V167 HydrophobicContact CD-CG2 4.16Å; K163-V167 HydrophobicContact CG-CG2 4.4Å; K163-V167 WeakPolarHBondContact O-CG2 3.31Å; K163-V167 PolarHBondContact O-N 3.34Å; V164-V167 PolarHBondContact O-N 2.87Å; V167-Q169 VanDerWaalsContact C-N 3.25Å; V167-Q169 PolarHBondContact O-N 3.47Å; V167-W172 HydrophobicContact CB-CD2 4.29Å; V167-W172 HydrophobicContact CB-CZ2 4.49Å; V167-W172 HydrophobicContact CG1-CD2 4.09Å; V167-W172 HydrophobicContact CG1-CE3 4.04Å; V167-W172 HydrophobicContact CG1-CH2 4.24Å; V167-W172 HydrophobicContact CG1-CZ2 4.27Å; V167-W172 HydrophobicContact CG1-CZ3 4.11Å; V167-W172 HydrophobicContact CG2-CD2 4.42Å; V167-W172 HydrophobicContact CG2-CZ2 3.84Å; V167-W172 WeakPolarHBondContact O-CB 3.27Å
168	S	94.3	Very high	91.4	Very high	24 Å²	24	70.3 Å²	70.3	17%	0.168	38%	0.383	C	S	.	.	T	Hydrogen-bonded Turn	trans	-75	-10.4	-179.7	76.1	0	0	0	0	113.7	K144 V164 R165 E166	K144-S168 VanDerWaalsContact NZ-C 3.3Å; K144-S168 PolarHBondContact NZ-O 3.02Å; V164-S168 WeakPolarHBondContact O-CB 3.36Å; V164-S168 PolarHBondContact O-N 3.4Å; V164-S168 PolarHBondContact O-OG 3.4Å; R165-S168 PolarHBondContact O-OG 2.81Å; E166-S168 VanDerWaalsContact C-N 3.27Å; E166-S168 PolarHBondContact O-N 3.11Å
169	Q	93.1	Very high	91.4	Very high	95 Å²	95	64.8 Å²	64.8	44%	0.444	36%	0.358	S	S	.	.	S	Bend	trans	-59.5	140.9	179.7	-61.5	-56.1	-57.4	0	0	110.7	K144 R165 E166 V167 D171 W172	K144-Q169 WeakPolarHBondContact CE-O 3.37Å; K144-Q169 PolarHBondContact NZ-O 2.83Å; K144-Q169 VanDerWaalsContact NZ-O 3.11Å; R165-Q169 PolarHBondContact O-NE2 3.03Å; E166-Q169 WeakPolarHBondContact O-CG 3.27Å; E166-Q169 PolarHBondContact O-N 2.91Å; V167-Q169 VanDerWaalsContact C-N 3.25Å; V167-Q169 PolarHBondContact O-N 3.47Å; Q169-D171 WeakPolarHBondContact CB-OD1 3.29Å; Q169-D171 PolarHBondContact O-N 2.85Å; Q169-W172 HydrophobicContact CB-CB 4.14Å; Q169-W172 VanDerWaalsContact O-CB 3.29Å; Q169-W172 WeakPolarHBondContact O-CB 3.31Å; Q169-W172 PolarHBondContact O-N 3.01Å; Q169-W172 VanDerWaalsContact O-N 3.07Å
170	P	89.8	Confident	91.5	Very high	105 Å²	105	63.8 Å²	63.8	68%	0.682	36%	0.355	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.2	-31	-178.9	-26	35.1	0	0	0	114
171	D	89.6	Confident	91.4	Very high	130 Å²	130	67.5 Å²	67.5	70%	0.695	38%	0.377	S	S	*	.	T	Hydrogen-bonded Turn	trans	-93.7	2.7	178.1	65.4	-35.5	0	0	0	113.2	Q169 T173	Q169-D171 WeakPolarHBondContact CB-OD1 3.29Å; Q169-D171 PolarHBondContact O-N 2.85Å; D171-T173 PolarHBondContact O-N 2.99Å
172	W	91	Very high	91.5	Very high	36 Å²	36	67.3 Å²	67.3	14%	0.136	38%	0.376	C	S	.	.			trans	-63.8	127.3	175.7	-173.3	90.7	0	0	0	110.1	K144 V149 E166 V167 Q169 P174	K144-W172 HydrophobicContact CB-CZ3 4.41Å; K144-W172 HydrophobicContact CG-CE3 3.99Å; K144-W172 HydrophobicContact CG-CZ3 4.26Å; V149-W172 HydrophobicContact CB-CH2 4.44Å; V149-W172 HydrophobicContact CG1-CH2 4.21Å; V149-W172 HydrophobicContact CG1-CZ2 4.35Å; V149-W172 HydrophobicContact CG2-CH2 3.38Å; V149-W172 HydrophobicContact CG2-CZ2 4.22Å; V149-W172 HydrophobicContact CG2-CZ3 3.87Å; E166-W172 PolarHBondContact OE1-NE1 3.27Å; V167-W172 HydrophobicContact CB-CD2 4.29Å; V167-W172 HydrophobicContact CB-CZ2 4.49Å; V167-W172 HydrophobicContact CG1-CD2 4.09Å; V167-W172 HydrophobicContact CG1-CE3 4.04Å; V167-W172 HydrophobicContact CG1-CH2 4.24Å; V167-W172 HydrophobicContact CG1-CZ2 4.27Å; V167-W172 HydrophobicContact CG1-CZ3 4.11Å; V167-W172 HydrophobicContact CG2-CD2 4.42Å; V167-W172 HydrophobicContact CG2-CZ2 3.84Å; V167-W172 WeakPolarHBondContact O-CB 3.27Å; Q169-W172 HydrophobicContact CB-CB 4.14Å; Q169-W172 VanDerWaalsContact O-CB 3.29Å; Q169-W172 WeakPolarHBondContact O-CB 3.31Å; Q169-W172 PolarHBondContact O-N 3.01Å; Q169-W172 VanDerWaalsContact O-N 3.07Å; W172-P174 HydrophobicContact CH2-CB 4.19Å; W172-P174 HydrophobicContact CH2-CG 3.9Å; W172-P174 HydrophobicContact CZ3-CG 3.86Å
173	T	84.1	Confident	91.6	Very high	105 Å²	105	66.4 Å²	66.4	64%	0.644	37%	0.365	S	S	*	.			trans	-125.2	149.3	169.2	57.9	0	0	0	0	108.8	D171	D171-T173 PolarHBondContact O-N 2.99Å
174	P	81.8	Confident	91.6	Very high	50 Å²	50	69.1 Å²	69.1	33%	0.325	38%	0.376	S	S	.	.	P	Polyproline II helix	trans	-52.6	148	169.9	-22.9	31.9	0	0	0	111	W172	W172-P174 HydrophobicContact CH2-CB 4.19Å; W172-P174 HydrophobicContact CH2-CG 3.9Å; W172-P174 HydrophobicContact CZ3-CG 3.86Å
175	P	78.8	Confident	91.6	Very high	107 Å²	107	76.3 Å²	76.3	70%	0.695	41%	0.41	S	S	*	.	P	Polyproline II helix	trans	-52.5	141.2	171.5	-24.5	33.8	0	0	0	110.7	E177	P175-E177 PolarHBondContact O-N 2.75Å
176	P	80.3	Confident	91.8	Very high	118 Å²	118	73.7 Å²	73.7	77%	0.766	40%	0.404	S	S	*	.	P	Polyproline II helix	trans	-62.2	133.9	176.3	26.4	-33.3	0	0	0	109.6
177	E	87.7	Confident	92	Very high	114 Å²	114	69.4 Å²	69.4	53%	0.533	38%	0.384	S	S	.	.	P	Polyproline II helix	trans	-70.3	136.4	173.3	-63.1	-178.5	147.1	0	0	109.9	P175 K234	P175-E177 PolarHBondContact O-N 2.75Å; E177-K234 IonicContact OE1-NZ 2.75Å; E177-K234 PolarHBondContact OE1-NZ 2.76Å; E177-K234 WeakPolarHBondContact OE2-CE 3.48Å; E177-K234 IonicContact OE2-NZ 3.22Å; E177-K234 PolarHBondContact OE2-NZ 2.72Å
178	V	92.4	Very high	92.2	Very high	55 Å²	55	72.3 Å²	72.3	33%	0.333	40%	0.4	S	S	.	.	S	Bend	trans	-82	-27.9	174	-178.1	0	0	0	0	110	L180 E217 A220 K221	V178-L180 PolarHBondContact O-N 3.38Å; V178-E217 VanDerWaalsContact CB-OE1 3.27Å; V178-E217 WeakPolarHBondContact CB-OE1 3.43Å; V178-E217 VanDerWaalsContact CG2-OE1 3.31Å; V178-E217 WeakPolarHBondContact CG2-OE1 3.35Å; V178-E217 VanDerWaalsContact N-CD 3.34Å; V178-E217 PolarHBondContact N-OE1 2.9Å; V178-E217 PolarHBondContact N-OE2 3.24Å; V178-A220 HydrophobicContact CB-CB 4.16Å; V178-A220 HydrophobicContact CG1-CB 4.07Å; V178-K221 HydrophobicContact CG2-CB 4.09Å; V178-K221 HydrophobicContact CG2-CG 4.4Å
179	T	95.8	Very high	92.4	Very high	9 Å²	9	77.7 Å²	77.7	6%	0.055	42%	0.422	C	S	.	.	S	Bend	trans	-64	133.9	174.7	59.2	0	0	0	0	111.2	Y216 E217 A220 L232	T179-Y216 HydrophobicContact CG2-CD1 3.58Å; T179-Y216 HydrophobicContact CG2-CE1 3.81Å; T179-E217 VanDerWaalsContact CG2-OE2 3.31Å; T179-E217 WeakPolarHBondContact CG2-OE2 3.48Å; T179-E217 PolarHBondContact N-OE2 2.78Å; T179-E217 VanDerWaalsContact N-OE2 3.15Å; T179-E217 PolarHBondContact OG1-OE2 3.18Å; T179-A220 HydrophobicContact CG2-CB 3.67Å; T179-L232 CarbonylContact C-O 3.46Å; T179-L232 VanDerWaalsContact CA-O 3.3Å; T179-L232 WeakPolarHBondContact CA-O 3.38Å; T179-L232 HydrophobicContact CG2-CB 4.31Å
180	L	96.8	Very high	92.6	Very high	73 Å²	73	75.1 Å²	75.1	38%	0.382	41%	0.413	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.8	137	174.3	-55.3	175.7	0	0	0	110.1	V178 L182 V190 I197 P231 L232 A233 K234	V178-L180 PolarHBondContact O-N 3.38Å; L180-L182 HydrophobicContact CB-CD2 4.5Å; L180-V190 HydrophobicContact CD1-CG1 3.78Å; L180-I197 HydrophobicContact CD1-CD1 4.34Å; L180-P231 HydrophobicContact CD1-CB 4.05Å; L180-L232 PolarHBondContact N-O 2.8Å; L180-A233 HydrophobicContact CB-CB 3.96Å; L180-A233 CarbonylContact O-C 3.55Å; L180-A233 WeakPolarHBondContact O-CA 3.37Å; L180-A233 WeakPolarHBondContact O-CB 3.17Å; L180-K234 PolarHBondContact O-N 3.05Å
181	V	97.3	Very high	93	Very high	79 Å²	79	70.1 Å²	70.1	48%	0.479	38%	0.38	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.8	119.8	171.2	-177.7	0	0	0	0	108.4	N186 K234	V181-N186 PolarHBondContact O-ND2 3.05Å; V181-N186 VanDerWaalsContact O-ND2 3.11Å; V181-K234 HydrophobicContact CG2-CG 4.48Å
182	L	98.1	Very high	93.3	Very high	2 Å²	2	67.7 Å²	67.7	1%	0.01	37%	0.367	C	S	.	.			trans	-107.9	135.6	179.5	-58.4	179.9	0	0	0	111	L180 N186 F187 V190 V191 V199 A233 K234 V235	L180-L182 HydrophobicContact CB-CD2 4.5Å; L182-N186 VanDerWaalsContact CA-OD1 3.27Å; L182-N186 WeakPolarHBondContact CA-OD1 3.27Å; L182-F187 HydrophobicContact CB-CD2 3.89Å; L182-F187 HydrophobicContact CD1-CD2 3.89Å; L182-F187 HydrophobicContact CD1-CE2 4.11Å; L182-V190 HydrophobicContact CD2-CB 3.75Å; L182-V190 HydrophobicContact CD2-CG1 3.82Å; L182-V190 HydrophobicContact CD2-CG2 3.85Å; L182-V191 HydrophobicContact CD1-CG2 3.8Å; L182-V199 HydrophobicContact CD1-CG1 4.34Å; L182-V199 HydrophobicContact CD1-CG2 4.12Å; L182-A233 HydrophobicContact CD1-CB 3.55Å; L182-A233 HydrophobicContact CG-CB 3.81Å; L182-K234 PolarHBondContact N-O 2.65Å; L182-V235 HydrophobicContact CB-CG2 3.74Å
183	T	97.9	Very high	93.6	Very high	39 Å²	39	72.2 Å²	72.2	24%	0.239	39%	0.394	C	S	.	.			trans	-128.6	170.1	175	68.1	0	0	0	0	108.7	E185 N186 F187 E240	T183-E185 WeakPolarHBondContact CB-OE2 3.14Å; T183-E185 PolarHBondContact O-N 3.45Å; T183-E185 PolarHBondContact OG1-N 3.24Å; T183-E185 PolarHBondContact OG1-OE2 2.88Å; T183-N186 PolarHBondContact N-OD1 3.24Å; T183-N186 PolarHBondContact O-N 3.41Å; T183-N186 VanDerWaalsContact O-N 3.17Å; T183-N186 PolarHBondContact O-OD1 3.38Å; T183-N186 VanDerWaalsContact O-OD1 3.08Å; T183-F187 VanDerWaalsContact O-CB 3.23Å; T183-F187 WeakPolarHBondContact O-CB 3.33Å; T183-F187 PolarHBondContact O-N 3.07Å; T183-E240 WeakPolarHBondContact CB-OE1 3.47Å
184	K	96.2	Very high	94.2	Very high	114 Å²	114	67.9 Å²	67.9	50%	0.496	37%	0.369	S	S	.	.	T	Hydrogen-bonded Turn	trans	-50.9	-30.7	176.7	-174.5	174.5	179.8	173.3	0	113.8	E240 D242	K184-E240 WeakPolarHBondContact CB-OE2 3.31Å; K184-E240 PolarHBondContact N-OE2 3.36Å; K184-D242 IonicContact NZ-OD2 3.54Å; K184-D242 PolarHBondContact NZ-OD2 3.4Å
185	E	96.8	Very high	94.7	Very high	151 Å²	151	70.4 Å²	70.4	71%	0.706	38%	0.379	S	S	*	.	T	Hydrogen-bonded Turn	trans	-72.6	-35.3	-177.1	-63.8	68.9	-146.6	0	0	113.7	T183	T183-E185 WeakPolarHBondContact CB-OE2 3.14Å; T183-E185 PolarHBondContact O-N 3.45Å; T183-E185 PolarHBondContact OG1-N 3.24Å; T183-E185 PolarHBondContact OG1-OE2 2.88Å
186	N	97.9	Very high	95.6	Very high	50 Å²	50	65.9 Å²	65.9	27%	0.267	35%	0.35	S	S	.	.	T	Hydrogen-bonded Turn	trans	-114.9	-11.6	-173.4	71.9	0.4	0	0	0	114	V181 L182 T183 D188 E189 V190	V181-N186 PolarHBondContact O-ND2 3.05Å; V181-N186 VanDerWaalsContact O-ND2 3.11Å; L182-N186 VanDerWaalsContact CA-OD1 3.27Å; L182-N186 WeakPolarHBondContact CA-OD1 3.27Å; T183-N186 PolarHBondContact N-OD1 3.24Å; T183-N186 PolarHBondContact O-N 3.41Å; T183-N186 VanDerWaalsContact O-N 3.17Å; T183-N186 PolarHBondContact O-OD1 3.38Å; T183-N186 VanDerWaalsContact O-OD1 3.08Å; N186-D188 PolarHBondContact O-N 3.38Å; N186-E189 PolarHBondContact O-N 3.15Å; N186-V190 HydrophobicContact CB-CG2 4.48Å; N186-V190 WeakPolarHBondContact O-CG2 3.21Å; N186-V190 PolarHBondContact O-N 3.45Å
187	F	98.5	Very high	96.5	Very high	1 Å²	1	60.3 Å²	60.3	0%	0.004	31%	0.313	C	S	.	.	H	α-helix	trans	-55.5	-53.5	-171.3	-174	-78.9	0	0	0	112.1	L182 T183 E189 V190 V191 V199 F201 V235 L243 F247 F258	L182-F187 HydrophobicContact CB-CD2 3.89Å; L182-F187 HydrophobicContact CD1-CD2 3.89Å; L182-F187 HydrophobicContact CD1-CE2 4.11Å; T183-F187 VanDerWaalsContact O-CB 3.23Å; T183-F187 WeakPolarHBondContact O-CB 3.33Å; T183-F187 PolarHBondContact O-N 3.07Å; F187-E189 PolarHBondContact O-N 2.84Å; F187-V190 PolarHBondContact O-N 3.32Å; F187-V191 HydrophobicContact CD1-CB 4.35Å; F187-V191 HydrophobicContact CD1-CG2 4.01Å; F187-V191 HydrophobicContact CD2-CG2 4.45Å; F187-V191 HydrophobicContact CE1-CB 4.12Å; F187-V191 HydrophobicContact CE1-CG1 4.23Å; F187-V191 HydrophobicContact CE1-CG2 3.77Å; F187-V191 HydrophobicContact CE2-CG2 4.26Å; F187-V191 HydrophobicContact CG-CG2 4.33Å; F187-V191 HydrophobicContact CZ-CG2 3.9Å; F187-V191 WeakPolarHBondContact O-CB 3.16Å; F187-V191 WeakPolarHBondContact O-CG2 3.32Å; F187-V191 PolarHBondContact O-N 2.83Å; F187-V199 HydrophobicContact CE2-CG1 4.2Å; F187-F201 HydrophobicContact CE2-CE1 4.46Å; F187-F201 HydrophobicContact CE2-CZ 4.01Å; F187-F201 HydrophobicContact CZ-CZ 4.2Å; F187-V235 HydrophobicContact CD2-CG2 4.01Å; F187-V235 HydrophobicContact CE2-CG2 3.93Å; F187-L243 HydrophobicContact CB-CD1 3.96Å; F187-L243 HydrophobicContact CB-CD2 4.09Å; F187-L243 HydrophobicContact CD1-CD2 4.15Å; F187-L243 HydrophobicContact CD2-CD1 3.66Å; F187-L243 HydrophobicContact CD2-CD2 4.15Å; F187-L243 HydrophobicContact CE2-CD1 4.44Å; F187-L243 HydrophobicContact CG-CD1 3.98Å; F187-L243 HydrophobicContact CG-CD2 3.86Å; F187-F247 HydrophobicContact CD1-CE2 4.2Å; F187-F247 HydrophobicContact CD1-CZ 4.4Å; F187-F247 AromaticContact CE1-CE2 3.36Å; F187-F247 HydrophobicContact CE1-CE2 3.36Å; F187-F247 AromaticContact CE1-CZ 3.46Å; F187-F247 HydrophobicContact CE1-CZ 3.46Å; F187-F247 VanDerWaalsContact CE1-CZ 3.46Å; F187-F247 HydrophobicContact CE2-CE2 4.21Å; F187-F247 HydrophobicContact CZ-CD2 4.13Å; F187-F247 AromaticContact CZ-CE2 3.35Å; F187-F247 HydrophobicContact CZ-CE2 3.35Å; F187-F247 AromaticContact CZ-CZ 3.82Å; F187-F247 HydrophobicContact CZ-CZ 3.82Å; F187-F258 HydrophobicContact CE1-CE1 4.09Å; F187-F258 HydrophobicContact CE1-CZ 4.2Å; F187-F258 AromaticContact CZ-CE1 3.93Å; F187-F258 HydrophobicContact CZ-CE1 3.93Å; F187-F258 HydrophobicContact CZ-CE2 4.04Å; F187-F258 AromaticContact CZ-CZ 3.57Å; F187-F258 HydrophobicContact CZ-CZ 3.57Å
188	D	97.9	Very high	97	Very high	62 Å²	62	54.9 Å²	54.9	33%	0.332	29%	0.288	S	S	.	.	H	α-helix	trans	-65.4	-40.6	-174.7	-76.8	-42.8	0	0	0	111.8	N186 N192 R246	N186-D188 PolarHBondContact O-N 3.38Å; D188-N192 WeakPolarHBondContact O-CB 3.15Å; D188-N192 PolarHBondContact O-N 3.18Å; D188-N192 PolarHBondContact O-ND2 3.17Å; D188-R246 VanDerWaalsContact CG-NH1 3.29Å; D188-R246 IonicContact OD1-CZ 2.76Å; D188-R246 IonicContact OD1-NH1 3.08Å; D188-R246 PolarHBondContact OD1-NH1 2.97Å; D188-R246 IonicContact OD1-NH2 2.78Å; D188-R246 PolarHBondContact OD1-NH2 3.33Å; D188-R246 IonicContact OD2-CZ 2.91Å; D188-R246 IonicContact OD2-NH1 2.98Å; D188-R246 PolarHBondContact OD2-NH1 2.92Å
189	E	97.9	Very high	97.3	Very high	136 Å²	136	52.2 Å²	52.2	64%	0.636	27%	0.272	S	S	*	.	H	α-helix	trans	-60.3	-54.8	176.7	-176.3	-179.7	170.2	0	0	111	N186 F187 V191 N192 D193	N186-E189 PolarHBondContact O-N 3.15Å; F187-E189 PolarHBondContact O-N 2.84Å; E189-V191 PolarHBondContact O-N 3.4Å; E189-N192 PolarHBondContact O-N 2.94Å; E189-D193 WeakPolarHBondContact O-CB 3.47Å; E189-D193 PolarHBondContact O-N 3.15Å; E189-D193 VanDerWaalsContact O-N 3.08Å
190	V	97.9	Very high	97.4	Very high	41 Å²	41	52.1 Å²	52.1	25%	0.248	27%	0.271	C	S	.	.	H	α-helix	trans	-64	-42.9	-175.9	177	0	0	0	0	111.8	L180 L182 N186 F187 A194 I197	L180-V190 HydrophobicContact CD1-CG1 3.78Å; L182-V190 HydrophobicContact CD2-CB 3.75Å; L182-V190 HydrophobicContact CD2-CG1 3.82Å; L182-V190 HydrophobicContact CD2-CG2 3.85Å; N186-V190 HydrophobicContact CB-CG2 4.48Å; N186-V190 WeakPolarHBondContact O-CG2 3.21Å; N186-V190 PolarHBondContact O-N 3.45Å; F187-V190 PolarHBondContact O-N 3.32Å; V190-A194 PolarHBondContact O-N 3.37Å; V190-I197 HydrophobicContact CG1-CD1 3.92Å
191	V	97.9	Very high	97.5	Very high	1 Å²	1	48.6 Å²	48.6	1%	0.006	25%	0.252	C	S	.	.	H	α-helix	trans	-76.8	-30.8	-174.9	176.9	0	0	0	0	112.1	L182 F187 E189 I197 V199 F258 G261	L182-V191 HydrophobicContact CD1-CG2 3.8Å; F187-V191 HydrophobicContact CD1-CB 4.35Å; F187-V191 HydrophobicContact CD1-CG2 4.01Å; F187-V191 HydrophobicContact CD2-CG2 4.45Å; F187-V191 HydrophobicContact CE1-CB 4.12Å; F187-V191 HydrophobicContact CE1-CG1 4.23Å; F187-V191 HydrophobicContact CE1-CG2 3.77Å; F187-V191 HydrophobicContact CE2-CG2 4.26Å; F187-V191 HydrophobicContact CG-CG2 4.33Å; F187-V191 HydrophobicContact CZ-CG2 3.9Å; F187-V191 WeakPolarHBondContact O-CB 3.16Å; F187-V191 WeakPolarHBondContact O-CG2 3.32Å; F187-V191 PolarHBondContact O-N 2.83Å; E189-V191 PolarHBondContact O-N 3.4Å; V191-I197 HydrophobicContact CB-CG2 4.49Å; V191-I197 HydrophobicContact CG1-CG2 4.16Å; V191-I197 HydrophobicContact CG2-CG2 4.28Å; V191-V199 HydrophobicContact CG2-CG2 4.34Å; V191-F258 HydrophobicContact CG1-CB 3.25Å; V191-F258 HydrophobicContact CG1-CD1 3.3Å; V191-F258 HydrophobicContact CG1-CD2 4.11Å; V191-F258 HydrophobicContact CG1-CE1 4.1Å; V191-F258 HydrophobicContact CG1-CG 3.29Å; V191-G261 PolarHBondContact O-N 2.9Å
192	N	97.1	Very high	97.5	Very high	78 Å²	78	47.2 Å²	47.2	42%	0.417	24%	0.239	S	C	.	.	H	α-helix	trans	-74.6	-35.7	175.2	-68.8	-27.9	0	0	0	112.5	D188 E189 K260 G261	D188-N192 WeakPolarHBondContact O-CB 3.15Å; D188-N192 PolarHBondContact O-N 3.18Å; D188-N192 PolarHBondContact O-ND2 3.17Å; E189-N192 PolarHBondContact O-N 2.94Å; N192-K260 WeakPolarHBondContact O-CA 3.4Å; N192-G261 WeakPolarHBondContact OD1-CA 3.45Å
193	D	96.9	Very high	97.3	Very high	132 Å²	132	47.1 Å²	47.1	71%	0.706	24%	0.238	S	C	*	.	H	α-helix	trans	-76.7	-22.7	-179.3	-80.9	6.5	0	0	0	113.1	E189	E189-D193 WeakPolarHBondContact O-CB 3.47Å; E189-D193 PolarHBondContact O-N 3.15Å; E189-D193 VanDerWaalsContact O-N 3.08Å
194	A	95.5	Very high	96.9	Very high	13 Å²	13	48.2 Å²	48.2	11%	0.107	25%	0.246	C	C	.	.			trans	-78.2	125.4	177.5	0	0	0	0	0	112.4	V190 I196 I197 P231 K260	V190-A194 PolarHBondContact O-N 3.37Å; A194-I196 PolarHBondContact O-N 2.92Å; A194-I197 HydrophobicContact CB-CB 3.83Å; A194-I197 HydrophobicContact CB-CG2 3.95Å; A194-P231 HydrophobicContact CB-CG 4.25Å; A194-K260 WeakPolarHBondContact O-CA 3.41Å; A194-K260 PolarHBondContact O-N 3.01Å
195	D	94	Very high	96.3	Very high	103 Å²	103	51.3 Å²	51.3	55%	0.551	26%	0.255	S	S	*	.	S	Bend	trans	-57.1	-38.4	169.5	-80.9	-38.7	0	0	0	111.5	R259 K260	D195-R259 WeakPolarHBondContact O-CA 3.38Å; D195-K260 WeakPolarHBondContact OD1-CE 3.39Å; D195-K260 IonicContact OD1-NZ 2.82Å; D195-K260 PolarHBondContact OD1-NZ 3.48Å
196	I	96.7	Very high	95.9	Very high	13 Å²	13	44.8 Å²	44.8	7%	0.067	23%	0.226	C	C	.	.	S	Bend	trans	-153.7	134.6	170.3	-172.1	173.2	0	0	0	110	A194 I230 P231 I257 F258 R259 M279 Q282	A194-I196 PolarHBondContact O-N 2.92Å; I196-I230 HydrophobicContact CG2-CD1 4.49Å; I196-I230 HydrophobicContact CG2-CG1 4.16Å; I196-I230 HydrophobicContact CG2-CG2 4.19Å; I196-P231 WeakPolarHBondContact O-CD 3.18Å; I196-I257 HydrophobicContact CD1-CG2 3.91Å; I196-I257 HydrophobicContact CG1-CG2 3.76Å; I196-F258 CarbonylContact C-O 3.57Å; I196-F258 VanDerWaalsContact CA-O 3.26Å; I196-F258 WeakPolarHBondContact CA-O 3.33Å; I196-R259 HydrophobicContact CG1-CG 4.4Å; I196-M279 HydrophobicContact CD1-CE 3.66Å; I196-M279 HydrophobicContact CG1-CE 3.76Å; I196-Q282 HydrophobicContact CD1-CB 3.78Å
197	I	98.5	Very high	95.4	Very high	0 Å²	0	44 Å²	44	0%	0	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.6	142.1	175.1	-176.1	167.2	0	0	0	109.4	L180 V190 V191 A194 V199 P231 A233 I257 F258	L180-I197 HydrophobicContact CD1-CD1 4.34Å; V190-I197 HydrophobicContact CG1-CD1 3.92Å; V191-I197 HydrophobicContact CB-CG2 4.49Å; V191-I197 HydrophobicContact CG1-CG2 4.16Å; V191-I197 HydrophobicContact CG2-CG2 4.28Å; A194-I197 HydrophobicContact CB-CB 3.83Å; A194-I197 HydrophobicContact CB-CG2 3.95Å; I197-V199 HydrophobicContact CG1-CG2 4.31Å; I197-V199 HydrophobicContact CG2-CG2 4.41Å; I197-P231 WeakPolarHBondContact CA-O 3.49Å; I197-P231 HydrophobicContact CB-CG 3.87Å; I197-P231 HydrophobicContact CD1-CB 4.01Å; I197-P231 HydrophobicContact CD1-CG 3.96Å; I197-P231 HydrophobicContact CG1-CB 4.03Å; I197-P231 HydrophobicContact CG1-CG 3.81Å; I197-P231 WeakPolarHBondContact CG1-O 3.42Å; I197-A233 HydrophobicContact CD1-CB 3.89Å; I197-A233 HydrophobicContact CG1-CB 4.32Å; I197-I257 CarbonylContact O-C 3.55Å; I197-I257 WeakPolarHBondContact O-CA 3.43Å; I197-F258 HydrophobicContact CG2-CB 3.65Å; I197-F258 HydrophobicContact CG2-CG 4.5Å; I197-F258 PolarHBondContact N-O 3.44Å; I197-F258 PolarHBondContact O-N 2.94Å
198	L	98.7	Very high	94.9	Very high	0 Å²	0	50.2 Å²	50.2	0%	0	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.2	130.1	170.1	-178.9	61.9	0	0	0	108.6	Y216 P231 L232 A233 L255 I257 Y266 I275 M279	L198-Y216 VanDerWaalsContact C-OH 3.3Å; L198-Y216 HydrophobicContact CD2-CE2 3.65Å; L198-Y216 HydrophobicContact CG-CE2 3.97Å; L198-Y216 PolarHBondContact O-OH 2.94Å; L198-P231 PolarHBondContact N-O 3.45Å; L198-L232 HydrophobicContact CB-CD1 3.91Å; L198-L232 HydrophobicContact CB-CG 3.97Å; L198-L232 HydrophobicContact CD2-CD1 4.36Å; L198-L232 HydrophobicContact CD2-CD2 4.34Å; L198-L232 HydrophobicContact CD2-CG 4.15Å; L198-L232 HydrophobicContact CG-CG 4.42Å; L198-L232 CarbonylContact O-C 3.42Å; L198-L232 WeakPolarHBondContact O-CA 3.11Å; L198-A233 PolarHBondContact O-N 3.4Å; L198-L255 HydrophobicContact CD1-CB 4.22Å; L198-L255 HydrophobicContact CD1-CD2 4.31Å; L198-L255 HydrophobicContact CD2-CD2 4.18Å; L198-L255 HydrophobicContact CG-CD2 4.41Å; L198-I257 HydrophobicContact CD1-CG1 3.88Å; L198-Y266 HydrophobicContact CD1-CD2 3.43Å; L198-Y266 VanDerWaalsContact CD1-CD2 3.43Å; L198-Y266 HydrophobicContact CD1-CE2 4.12Å; L198-Y266 HydrophobicContact CD1-CG 3.88Å; L198-Y266 HydrophobicContact CD2-CD2 4.15Å; L198-Y266 HydrophobicContact CD2-CE2 3.98Å; L198-Y266 HydrophobicContact CG-CD2 4.46Å; L198-I275 HydrophobicContact CD2-CG2 3.81Å; L198-M279 HydrophobicContact CB-CE 3.81Å; L198-M279 HydrophobicContact CB-CG 4.43Å; L198-M279 HydrophobicContact CB-SD 3.91Å; L198-M279 HydrophobicContact CD1-SD 4.18Å; L198-M279 HydrophobicContact CD2-CG 3.97Å; L198-M279 HydrophobicContact CD2-SD 3.98Å; L198-M279 HydrophobicContact CG-SD 4.26Å
199	V	98.7	Very high	94.7	Very high	0 Å²	0	47.5 Å²	47.5	0%	0	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.6	125.9	179.8	-174.8	0	0	0	0	109.5	L182 F187 V191 I197 F201 A233 V235 L255 K256 F258	L182-V199 HydrophobicContact CD1-CG1 4.34Å; L182-V199 HydrophobicContact CD1-CG2 4.12Å; F187-V199 HydrophobicContact CE2-CG1 4.2Å; V191-V199 HydrophobicContact CG2-CG2 4.34Å; I197-V199 HydrophobicContact CG1-CG2 4.31Å; I197-V199 HydrophobicContact CG2-CG2 4.41Å; V199-F201 HydrophobicContact CB-CE2 4.39Å; V199-F201 HydrophobicContact CG1-CD2 4.38Å; V199-F201 HydrophobicContact CG1-CE2 3.96Å; V199-F201 HydrophobicContact CG1-CZ 4.23Å; V199-A233 CarbonylContact C-O 3.58Å; V199-A233 WeakPolarHBondContact CA-O 3.36Å; V199-A233 HydrophobicContact CG2-CB 4.21Å; V199-V235 HydrophobicContact CG1-CG2 3.78Å; V199-L255 WeakPolarHBondContact O-CA 3.38Å; V199-K256 PolarHBondContact N-O 3.38Å; V199-K256 PolarHBondContact O-N 2.85Å; V199-F258 HydrophobicContact CB-CD2 4.08Å; V199-F258 HydrophobicContact CB-CE2 3.8Å; V199-F258 HydrophobicContact CG2-CD2 3.51Å; V199-F258 HydrophobicContact CG2-CE2 3.64Å
200	E	98.6	Very high	94.2	Very high	6 Å²	6	44.4 Å²	44.4	3%	0.028	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.4	121.2	171.1	-176.1	-169.3	-174.7	0	0	109.9	L212 Y216 A233 K234 V235 P253	E200-L212 HydrophobicContact CG-CD2 4.28Å; E200-L212 WeakPolarHBondContact OE1-CD2 3.11Å; E200-Y216 HydrophobicContact CB-CE1 4.02Å; E200-Y216 HydrophobicContact CB-CE2 4.3Å; E200-Y216 PolarHBondContact N-OH 3.01Å; E200-A233 PolarHBondContact N-O 2.83Å; E200-K234 HydrophobicContact CB-CB 4.43Å; E200-K234 CarbonylContact O-C 3.59Å; E200-K234 VanDerWaalsContact O-CA 3.27Å; E200-K234 WeakPolarHBondContact O-CA 3.32Å; E200-V235 PolarHBondContact O-N 3.37Å; E200-P253 HydrophobicContact CG-CB 4.07Å; E200-P253 WeakPolarHBondContact OE1-CB 3.18Å
201	F	98.5	Very high	93.7	Very high	0 Å²	0	50.1 Å²	50.1	0%	0	25%	0.25	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.7	113.7	164.9	-65.2	-93.6	0	0	0	108.6	F187 V199 V235 A237 L243 F247 V249 P253 T254 K256 F258	F187-F201 HydrophobicContact CE2-CE1 4.46Å; F187-F201 HydrophobicContact CE2-CZ 4.01Å; F187-F201 HydrophobicContact CZ-CZ 4.2Å; V199-F201 HydrophobicContact CB-CE2 4.39Å; V199-F201 HydrophobicContact CG1-CD2 4.38Å; V199-F201 HydrophobicContact CG1-CE2 3.96Å; V199-F201 HydrophobicContact CG1-CZ 4.23Å; F201-V235 HydrophobicContact CD1-CB 3.82Å; F201-V235 HydrophobicContact CD1-CG1 3.86Å; F201-V235 HydrophobicContact CD1-CG2 4.36Å; F201-V235 HydrophobicContact CE1-CB 4.03Å; F201-V235 HydrophobicContact CE1-CG1 3.98Å; F201-V235 HydrophobicContact CE1-CG2 4.1Å; F201-V235 HydrophobicContact CG-CB 4.5Å; F201-A237 HydrophobicContact CB-CB 4.24Å; F201-A237 HydrophobicContact CD1-CB 4.47Å; F201-L243 HydrophobicContact CE1-CB 4.33Å; F201-F247 HydrophobicContact CE1-CD2 4.2Å; F201-F247 HydrophobicContact CZ-CB 4.34Å; F201-F247 AromaticContact CZ-CD2 3.66Å; F201-F247 HydrophobicContact CZ-CD2 3.66Å; F201-F247 HydrophobicContact CZ-CE2 4.38Å; F201-F247 HydrophobicContact CZ-CG 4.29Å; F201-V249 HydrophobicContact CB-CG1 4Å; F201-V249 HydrophobicContact CB-CG2 3.94Å; F201-V249 HydrophobicContact CD1-CG2 3.89Å; F201-V249 HydrophobicContact CD2-CG2 3.95Å; F201-V249 HydrophobicContact CE1-CG2 4.38Å; F201-V249 HydrophobicContact CE2-CG2 4.44Å; F201-V249 HydrophobicContact CG-CG2 3.65Å; F201-P253 WeakPolarHBondContact O-CA 3.46Å; F201-T254 PolarHBondContact N-O 3.35Å; F201-T254 PolarHBondContact O-N 3.46Å; F201-K256 HydrophobicContact CE2-CB 4.42Å; F201-K256 HydrophobicContact CE2-CD 4.3Å; F201-F258 HydrophobicContact CE2-CE2 4.35Å; F201-F258 HydrophobicContact CE2-CZ 4.45Å; F201-F258 HydrophobicContact CZ-CZ 4.48Å
202	Y	97.8	Very high	93.6	Very high	49 Å²	49	50.5 Å²	50.5	19%	0.192	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.7	167.9	-173.2	77.5	-84.2	0	0	0	112.2	P204 C209 K234 V235 D236 A237	Y202-P204 HydrophobicContact CE2-CG 4.24Å; Y202-C209 VanDerWaalsContact CB-SG 3.54Å; Y202-K234 HydrophobicContact CD1-CB 3.98Å; Y202-K234 HydrophobicContact CE1-CB 3.83Å; Y202-K234 HydrophobicContact CE1-CD 3.96Å; Y202-K234 HydrophobicContact CE1-CG 4Å; Y202-V235 WeakPolarHBondContact CD1-O 3.44Å; Y202-V235 VanDerWaalsContact CE1-C 3.46Å; Y202-V235 PolarHBondContact N-O 3.49Å; Y202-D236 HydrophobicContact CE1-CB 4.19Å; Y202-D236 HydrophobicContact CE2-CB 4.41Å; Y202-A237 PolarHBondContact O-N 2.85Å
203	A	94	Very high	93.3	Very high	0 Å²	0	49 Å²	49	0%	0	25%	0.251	C	S	.	.			trans	-123.5	135.3	167.1	0	0	0	0	0	109.3	W205 C206 T238 Y252	A203-W205 HydrophobicContact CB-CD2 4.18Å; A203-W205 HydrophobicContact CB-CH2 4.46Å; A203-W205 HydrophobicContact CB-CZ2 3.92Å; A203-W205 PolarHBondContact O-N 3.14Å; A203-W205 VanDerWaalsContact O-N 3.13Å; A203-C206 HydrophobicContact CB-CB 4.08Å; A203-C206 WeakPolarHBondContact O-CB 3.31Å; A203-C206 PolarHBondContact O-N 3.05Å; A203-T238 HydrophobicContact CB-CG2 3.46Å; A203-T238 VanDerWaalsContact CB-CG2 3.46Å; A203-Y252 HydrophobicContact CB-CD2 3.49Å; A203-Y252 VanDerWaalsContact CB-CD2 3.49Å; A203-Y252 HydrophobicContact CB-CE2 3.8Å; A203-Y252 HydrophobicContact CB-CG 3.89Å
204	P	88	Confident	93	Very high	63 Å²	63	45.9 Å²	45.9	41%	0.409	24%	0.238	S	C	.	.	T	Hydrogen-bonded Turn	trans	-57.9	-30.8	-175.7	-27.4	34.6	0	0	0	114.3	Y202 K210 D236	Y202-P204 HydrophobicContact CE2-CG 4.24Å; P204-K210 WeakPolarHBondContact O-CE 3.47Å; P204-D236 WeakPolarHBondContact CD-OD1 3.43Å; P204-D236 WeakPolarHBondContact CD-OD2 3.47Å; P204-D236 WeakPolarHBondContact CG-OD2 3.3Å
205	W	84.7	Confident	93	Very high	178 Å²	178	47.7 Å²	47.7	67%	0.674	24%	0.244	S	C	*	.	T	Hydrogen-bonded Turn	trans	-87	-5.1	179.8	51.6	-102.1	0	0	0	113.9	A203 G207 Y252	A203-W205 HydrophobicContact CB-CD2 4.18Å; A203-W205 HydrophobicContact CB-CH2 4.46Å; A203-W205 HydrophobicContact CB-CZ2 3.92Å; A203-W205 PolarHBondContact O-N 3.14Å; A203-W205 VanDerWaalsContact O-N 3.13Å; W205-G207 PolarHBondContact O-N 3.02Å; W205-Y252 HydrophobicContact CH2-CD2 4.26Å; W205-Y252 HydrophobicContact CH2-CE2 4.44Å; W205-Y252 HydrophobicContact CZ2-CD2 4.44Å; W205-Y252 HydrophobicContact CZ2-CE2 4.29Å
206	C	88.7	Confident	93.2	Very high	15 Å²	15	43 Å²	43	10%	0.101	22%	0.218	C	C	.	.			trans	-80.9	116.3	-176.1	179.4	0	0	0	0	112.1	A203 H208 C209 K210	A203-C206 HydrophobicContact CB-CB 4.08Å; A203-C206 WeakPolarHBondContact O-CB 3.31Å; A203-C206 PolarHBondContact O-N 3.05Å; C206-H208 VanDerWaalsContact C-N 3.3Å; C206-H208 PolarHBondContact O-N 3.3Å; C206-C209 HydrophobicContact CB-CB 3.91Å; C206-C209 VanDerWaalsContact CB-SG 3.58Å; C206-C209 WeakPolarHBondContact O-CB 3.37Å; C206-C209 PolarHBondContact O-N 3.42Å; C206-K210 PolarHBondContact O-N 3.46Å
207	G	86.1	Confident	93.1	Very high	33 Å²	33	44.4 Å²	44.4	34%	0.34	23%	0.225	S	C	.	.	H	α-helix	trans	-59.4	-35.2	177.6	0	0	0	0	0	114.1	W205 C209 K210 K211	W205-G207 PolarHBondContact O-N 3.02Å; G207-C209 VanDerWaalsContact C-N 3.33Å; G207-C209 PolarHBondContact O-N 3.32Å; G207-K210 PolarHBondContact O-N 2.88Å; G207-K211 WeakPolarHBondContact O-CB 3.49Å; G207-K211 PolarHBondContact O-N 3.01Å
208	H	88.9	Confident	93	Very high	132 Å²	132	49.2 Å²	49.2	61%	0.611	25%	0.246	S	C	*	.	H	α-helix	trans	-66.1	-34.5	174.5	-66.5	158.6	0	0	0	112.7	C206 L212	C206-H208 VanDerWaalsContact C-N 3.3Å; C206-H208 PolarHBondContact O-N 3.3Å; H208-L212 WeakPolarHBondContact O-CB 3.47Å; H208-L212 PolarHBondContact O-N 3.13Å; H208-L212 VanDerWaalsContact O-N 3.14Å
209	C	93.2	Very high	92.9	Very high	5 Å²	5	49.2 Å²	49.2	3%	0.034	25%	0.246	C	C	.	.	H	α-helix	trans	-69.3	-46.1	174.4	-64.4	0	0	0	0	111.3	Y202 C206 G207 K211 L212 A213	Y202-C209 VanDerWaalsContact CB-SG 3.54Å; C206-C209 HydrophobicContact CB-CB 3.91Å; C206-C209 VanDerWaalsContact CB-SG 3.58Å; C206-C209 WeakPolarHBondContact O-CB 3.37Å; C206-C209 PolarHBondContact O-N 3.42Å; G207-C209 VanDerWaalsContact C-N 3.33Å; G207-C209 PolarHBondContact O-N 3.32Å; C209-K211 VanDerWaalsContact C-N 3.27Å; C209-K211 PolarHBondContact O-N 3.05Å; C209-L212 PolarHBondContact O-N 2.98Å; C209-A213 PolarHBondContact O-N 3.43Å
210	K	87.5	Confident	92.9	Very high	70 Å²	70	49.3 Å²	49.3	30%	0.304	25%	0.247	S	C	.	.	H	α-helix	trans	-56.8	-41.7	176.4	-67.7	-178.4	-178.2	-179.4	0	111.8	D133 P204 C206 G207 P214	D133-K210 HydrophobicContact CB-CD 3.82Å; D133-K210 VanDerWaalsContact OD2-CB 3.32Å; D133-K210 WeakPolarHBondContact OD2-CB 3.11Å; P204-K210 WeakPolarHBondContact O-CE 3.47Å; C206-K210 PolarHBondContact O-N 3.46Å; G207-K210 PolarHBondContact O-N 2.88Å; K210-P214 WeakPolarHBondContact O-CD 3.36Å
211	K	88.9	Confident	92.8	Very high	162 Å²	162	55 Å²	55	70%	0.704	27%	0.271	S	S	*	.	H	α-helix	trans	-66.5	-34.8	175.3	-172.1	176.1	179.3	-179.3	0	113.6	G207 C209	G207-K211 WeakPolarHBondContact O-CB 3.49Å; G207-K211 PolarHBondContact O-N 3.01Å; C209-K211 VanDerWaalsContact C-N 3.27Å; C209-K211 PolarHBondContact O-N 3.05Å
212	L	94.9	Very high	92.7	Very high	8 Å²	8	58.5 Å²	58.5	4%	0.042	29%	0.287	C	S	.	.	H	α-helix	trans	-75	-39.2	178.6	174.2	57.1	0	0	0	112.1	E200 H208 C209 E215 Y216 P253 L255 R270 I275	E200-L212 HydrophobicContact CG-CD2 4.28Å; E200-L212 WeakPolarHBondContact OE1-CD2 3.11Å; H208-L212 WeakPolarHBondContact O-CB 3.47Å; H208-L212 PolarHBondContact O-N 3.13Å; H208-L212 VanDerWaalsContact O-N 3.14Å; C209-L212 PolarHBondContact O-N 2.98Å; L212-E215 PolarHBondContact O-N 2.95Å; L212-Y216 HydrophobicContact CD1-CD2 4.38Å; L212-Y216 WeakPolarHBondContact O-CB 3.45Å; L212-Y216 PolarHBondContact O-N 3.36Å; L212-P253 HydrophobicContact CD2-CB 3.93Å; L212-P253 HydrophobicContact CD2-CG 3.76Å; L212-L255 HydrophobicContact CD2-CD1 3.87Å; L212-L255 HydrophobicContact CD2-CD2 4.33Å; L212-L255 HydrophobicContact CD2-CG 4.49Å; L212-R270 HydrophobicContact CD1-CB 4.1Å; L212-R270 WeakPolarHBondContact CD1-O 3.42Å; L212-I275 HydrophobicContact CD1-CD1 4.07Å
213	A	91.6	Very high	92.7	Very high	48 Å²	48	56.1 Å²	56.1	40%	0.397	28%	0.278	S	S	.	.	H	α-helix	trans	-44.1	-51.4	-174.7	0	0	0	0	0	115	C209 E215 Y216 E217	C209-A213 PolarHBondContact O-N 3.43Å; A213-E215 PolarHBondContact O-N 3.3Å; A213-Y216 PolarHBondContact O-N 2.97Å; A213-E217 WeakPolarHBondContact O-CB 3.49Å; A213-E217 PolarHBondContact O-N 3.4Å
214	P	90.3	Very high	92.8	Very high	66 Å²	66	58.8 Å²	58.8	43%	0.429	30%	0.297	S	S	.	.	H	α-helix	trans	-67.2	-34.3	179.5	26	-35	0	0	0	113.3	K210 K218	K210-P214 WeakPolarHBondContact O-CD 3.36Å; P214-K218 WeakPolarHBondContact O-CB 3.32Å; P214-K218 WeakPolarHBondContact O-CD 3.36Å; P214-K218 WeakPolarHBondContact O-CG 3.47Å; P214-K218 PolarHBondContact O-N 2.82Å; P214-K218 VanDerWaalsContact O-N 3.17Å
215	E	94.9	Very high	93.2	Very high	51 Å²	51	62 Å²	62	24%	0.238	30%	0.304	C	S	.	.	H	α-helix	trans	-72.3	-39	176.9	-69.2	-59.2	112.3	0	0	111.5	L212 A213 K218 A219 K272	L212-E215 PolarHBondContact O-N 2.95Å; A213-E215 PolarHBondContact O-N 3.3Å; E215-K218 PolarHBondContact O-N 3.16Å; E215-K218 IonicContact OE1-NZ 2.97Å; E215-K218 PolarHBondContact OE1-NZ 2.86Å; E215-A219 WeakPolarHBondContact O-CB 3.23Å; E215-A219 PolarHBondContact O-N 2.91Å; E215-K272 WeakPolarHBondContact OE2-CB 3.5Å; E215-K272 PolarHBondContact OE2-N 3.03Å
216	Y	97.8	Very high	93.7	Very high	3 Å²	3	56.9 Å²	56.9	1%	0.012	29%	0.285	C	S	.	.	H	α-helix	trans	-65.8	-44.1	177.7	-162.3	-106.6	0	0	0	111.8	T179 L198 E200 L212 A213 A219 A220 L232 A233 L255 I275	T179-Y216 HydrophobicContact CG2-CD1 3.58Å; T179-Y216 HydrophobicContact CG2-CE1 3.81Å; L198-Y216 VanDerWaalsContact C-OH 3.3Å; L198-Y216 HydrophobicContact CD2-CE2 3.65Å; L198-Y216 HydrophobicContact CG-CE2 3.97Å; L198-Y216 PolarHBondContact O-OH 2.94Å; E200-Y216 HydrophobicContact CB-CE1 4.02Å; E200-Y216 HydrophobicContact CB-CE2 4.3Å; E200-Y216 PolarHBondContact N-OH 3.01Å; L212-Y216 HydrophobicContact CD1-CD2 4.38Å; L212-Y216 WeakPolarHBondContact O-CB 3.45Å; L212-Y216 PolarHBondContact O-N 3.36Å; A213-Y216 PolarHBondContact O-N 2.97Å; Y216-A219 WeakPolarHBondContact O-CB 3.47Å; Y216-A219 PolarHBondContact O-N 3.3Å; Y216-A220 WeakPolarHBondContact O-CB 3.19Å; Y216-A220 PolarHBondContact O-N 2.92Å; Y216-L232 HydrophobicContact CD1-CD2 4.23Å; Y216-L232 HydrophobicContact CD2-CD2 3.82Å; Y216-L232 HydrophobicContact CE1-CB 3.89Å; Y216-L232 HydrophobicContact CE1-CD2 4.05Å; Y216-L232 HydrophobicContact CE1-CG 4.12Å; Y216-L232 HydrophobicContact CE2-CD2 3.62Å; Y216-L232 HydrophobicContact CE2-CG 3.96Å; Y216-L232 HydrophobicContact CG-CD2 4.11Å; Y216-A233 WeakPolarHBondContact CE1-O 3.42Å; Y216-A233 PolarHBondContact OH-O 2.69Å; Y216-L255 HydrophobicContact CD2-CD2 4.36Å; Y216-L255 HydrophobicContact CE2-CD2 3.9Å; Y216-I275 HydrophobicContact CD2-CD1 4.08Å
217	E	95.5	Very high	93.9	Very high	44 Å²	44	62 Å²	62	21%	0.206	32%	0.321	C	S	.	.	H	α-helix	trans	-64.8	-42	175.7	-179.1	53.5	-143.5	0	0	111.9	V178 T179 A213 A219 A220 K221	V178-E217 VanDerWaalsContact CB-OE1 3.27Å; V178-E217 WeakPolarHBondContact CB-OE1 3.43Å; V178-E217 VanDerWaalsContact CG2-OE1 3.31Å; V178-E217 WeakPolarHBondContact CG2-OE1 3.35Å; V178-E217 VanDerWaalsContact N-CD 3.34Å; V178-E217 PolarHBondContact N-OE1 2.9Å; V178-E217 PolarHBondContact N-OE2 3.24Å; T179-E217 VanDerWaalsContact CG2-OE2 3.31Å; T179-E217 WeakPolarHBondContact CG2-OE2 3.48Å; T179-E217 PolarHBondContact N-OE2 2.78Å; T179-E217 VanDerWaalsContact N-OE2 3.15Å; T179-E217 PolarHBondContact OG1-OE2 3.18Å; A213-E217 WeakPolarHBondContact O-CB 3.49Å; A213-E217 PolarHBondContact O-N 3.4Å; E217-A219 VanDerWaalsContact C-N 3.29Å; E217-A219 PolarHBondContact O-N 2.82Å; E217-A220 PolarHBondContact O-N 3.08Å; E217-K221 WeakPolarHBondContact O-CB 3.49Å; E217-K221 PolarHBondContact O-N 2.84Å
218	K	95.1	Very high	94.2	Very high	101 Å²	101	64.5 Å²	64.5	44%	0.439	33%	0.331	S	S	.	.	H	α-helix	trans	-62.3	-37.1	172.8	-71.2	167.9	-161.2	167.3	0	112	P214 E215 E222 K272	P214-K218 WeakPolarHBondContact O-CB 3.32Å; P214-K218 WeakPolarHBondContact O-CD 3.36Å; P214-K218 WeakPolarHBondContact O-CG 3.47Å; P214-K218 PolarHBondContact O-N 2.82Å; P214-K218 VanDerWaalsContact O-N 3.17Å; E215-K218 PolarHBondContact O-N 3.16Å; E215-K218 IonicContact OE1-NZ 2.97Å; E215-K218 PolarHBondContact OE1-NZ 2.86Å; K218-E222 PolarHBondContact O-N 3.05Å; K218-K272 HydrophobicContact CB-CB 4.22Å; K218-K272 HydrophobicContact CB-CD 3.75Å; K218-K272 HydrophobicContact CB-CG 3.71Å; K218-K272 HydrophobicContact CD-CD 4.41Å
219	A	98	Very high	94.6	Very high	0 Å²	0	61.9 Å²	61.9	0%	0	33%	0.326	C	S	.	.	H	α-helix	trans	-69.4	-43.7	176.8	0	0	0	0	0	110.9	E215 Y216 E217 K221 E222 L223 L232 K272 I275 V276	E215-A219 WeakPolarHBondContact O-CB 3.23Å; E215-A219 PolarHBondContact O-N 2.91Å; Y216-A219 WeakPolarHBondContact O-CB 3.47Å; Y216-A219 PolarHBondContact O-N 3.3Å; E217-A219 VanDerWaalsContact C-N 3.29Å; E217-A219 PolarHBondContact O-N 2.82Å; A219-K221 VanDerWaalsContact C-N 3.3Å; A219-K221 PolarHBondContact O-N 3.11Å; A219-E222 PolarHBondContact O-N 2.99Å; A219-L223 WeakPolarHBondContact O-CB 3.39Å; A219-L223 WeakPolarHBondContact O-CG 3.4Å; A219-L223 PolarHBondContact O-N 2.87Å; A219-L232 HydrophobicContact CB-CD2 3.97Å; A219-K272 HydrophobicContact CB-CG 4.33Å; A219-I275 HydrophobicContact CB-CB 3.91Å; A219-I275 HydrophobicContact CB-CD1 4.36Å; A219-I275 HydrophobicContact CB-CG2 3.69Å; A219-V276 HydrophobicContact CB-CG2 4.04Å
220	A	98.1	Very high	94.8	Very high	2 Å²	2	61.8 Å²	61.8	2%	0.017	33%	0.325	C	S	.	.	H	α-helix	trans	-56.7	-45.8	176.4	0	0	0	0	0	111	V178 T179 Y216 E217 E222 L223 S224 L232	V178-A220 HydrophobicContact CB-CB 4.16Å; V178-A220 HydrophobicContact CG1-CB 4.07Å; T179-A220 HydrophobicContact CG2-CB 3.67Å; Y216-A220 WeakPolarHBondContact O-CB 3.19Å; Y216-A220 PolarHBondContact O-N 2.92Å; E217-A220 PolarHBondContact O-N 3.08Å; A220-E222 VanDerWaalsContact C-N 3.31Å; A220-E222 PolarHBondContact O-N 2.6Å; A220-L223 PolarHBondContact O-N 3.23Å; A220-S224 WeakPolarHBondContact O-CB 3.27Å; A220-S224 PolarHBondContact O-N 2.58Å; A220-S224 PolarHBondContact O-OG 3.21Å; A220-L232 HydrophobicContact CB-CB 3.68Å; A220-L232 HydrophobicContact CB-CD2 4.02Å; A220-L232 HydrophobicContact CB-CG 4.41Å
221	K	96.5	Very high	95.3	Very high	124 Å²	124	60.3 Å²	60.3	54%	0.539	32%	0.322	S	S	.	.	H	α-helix	trans	-62.2	-33.7	175.4	-174	172.3	-176.5	171.8	0	114	V178 E217 A219 S224 K225	V178-K221 HydrophobicContact CG2-CB 4.09Å; V178-K221 HydrophobicContact CG2-CG 4.4Å; E217-K221 WeakPolarHBondContact O-CB 3.49Å; E217-K221 PolarHBondContact O-N 2.84Å; A219-K221 VanDerWaalsContact C-N 3.3Å; A219-K221 PolarHBondContact O-N 3.11Å; K221-S224 PolarHBondContact O-OG 2.79Å; K221-S224 VanDerWaalsContact O-OG 3.07Å; K221-K225 VanDerWaalsContact O-CE 3.31Å; K221-K225 WeakPolarHBondContact O-CE 3.44Å; K221-K225 WeakPolarHBondContact O-CG 3.35Å
222	E	97	Very high	95.8	Very high	74 Å²	74	52.7 Å²	52.7	35%	0.346	29%	0.29	S	S	.	.	H	α-helix	trans	-78	-43.1	178.4	-167.2	59.6	-156.4	0	0	111.2	K218 A219 A220 S224 K225 V276	K218-E222 PolarHBondContact O-N 3.05Å; A219-E222 PolarHBondContact O-N 2.99Å; A220-E222 VanDerWaalsContact C-N 3.31Å; A220-E222 PolarHBondContact O-N 2.6Å; E222-S224 VanDerWaalsContact C-N 3.32Å; E222-S224 PolarHBondContact O-N 3.49Å; E222-K225 WeakPolarHBondContact O-CB 3.35Å; E222-K225 PolarHBondContact O-N 2.87Å; E222-K225 IonicContact OE2-NZ 2.82Å; E222-K225 PolarHBondContact OE2-NZ 3.43Å; E222-V276 HydrophobicContact CB-CG2 3.95Å; E222-V276 HydrophobicContact CG-CG1 4.36Å; E222-V276 HydrophobicContact CG-CG2 4.18Å
223	L	98	Very high	95.9	Very high	0 Å²	0	52.3 Å²	52.3	0%	0	29%	0.288	C	S	.	.	H	α-helix	trans	-69.9	-27.4	-179.6	-72.1	174.8	0	0	0	113.3	A219 A220 K225 R226 I230 L232 V276 M279 I280	A219-L223 WeakPolarHBondContact O-CB 3.39Å; A219-L223 WeakPolarHBondContact O-CG 3.4Å; A219-L223 PolarHBondContact O-N 2.87Å; A220-L223 PolarHBondContact O-N 3.23Å; L223-K225 PolarHBondContact O-N 2.81Å; L223-R226 WeakPolarHBondContact O-CB 3.13Å; L223-R226 PolarHBondContact O-N 3.21Å; L223-I230 HydrophobicContact CB-CB 4.14Å; L223-I230 WeakPolarHBondContact CB-O 3.22Å; L223-I230 HydrophobicContact CD1-CB 4.48Å; L223-I230 HydrophobicContact CD1-CG2 4.46Å; L223-I230 HydrophobicContact CD2-CB 4.39Å; L223-I230 HydrophobicContact CD2-CD1 4.17Å; L223-I230 PolarHBondContact O-N 3.26Å; L223-I230 VanDerWaalsContact O-N 3.16Å; L223-L232 HydrophobicContact CD1-CD1 3.41Å; L223-L232 VanDerWaalsContact CD1-CD1 3.41Å; L223-L232 HydrophobicContact CD1-CD2 4.48Å; L223-V276 HydrophobicContact CD2-CB 4.45Å; L223-V276 HydrophobicContact CD2-CG1 4.12Å; L223-V276 HydrophobicContact CD2-CG2 4.46Å; L223-V276 HydrophobicContact CG-CG2 4.15Å; L223-M279 HydrophobicContact CD1-CB 3.86Å; L223-M279 HydrophobicContact CD1-CG 4.17Å; L223-M279 HydrophobicContact CD2-CB 4.4Å; L223-I280 HydrophobicContact CD2-CD1 4.48Å; L223-I280 HydrophobicContact CD2-CG1 4.02Å
224	S	96	Very high	96.3	Very high	55 Å²	55	51.5 Å²	51.5	39%	0.385	28%	0.275	S	S	.	.	T	Hydrogen-bonded Turn	trans	-68.5	-19.2	174	69.1	0	0	0	0	113.8	A220 K221 E222 R226	A220-S224 WeakPolarHBondContact O-CB 3.27Å; A220-S224 PolarHBondContact O-N 2.58Å; A220-S224 PolarHBondContact O-OG 3.21Å; K221-S224 PolarHBondContact O-OG 2.79Å; K221-S224 VanDerWaalsContact O-OG 3.07Å; E222-S224 VanDerWaalsContact C-N 3.32Å; E222-S224 PolarHBondContact O-N 3.49Å; S224-R226 VanDerWaalsContact C-N 3.31Å
225	K	96	Very high	96.6	Very high	131 Å²	131	48.3 Å²	48.3	57%	0.57	25%	0.254	S	S	*	.	T	Hydrogen-bonded Turn	trans	-81	-9.7	176.8	-59.8	168.5	-169	164.9	0	113.4	K221 E222 L223	K221-K225 VanDerWaalsContact O-CE 3.31Å; K221-K225 WeakPolarHBondContact O-CE 3.44Å; K221-K225 WeakPolarHBondContact O-CG 3.35Å; E222-K225 WeakPolarHBondContact O-CB 3.35Å; E222-K225 PolarHBondContact O-N 2.87Å; E222-K225 IonicContact OE2-NZ 2.82Å; E222-K225 PolarHBondContact OE2-NZ 3.43Å; L223-K225 PolarHBondContact O-N 2.81Å
226	R	94.4	Very high	96.8	Very high	70 Å²	70	47.6 Å²	47.6	26%	0.264	25%	0.252	S	S	.	.	S	Bend	trans	-72.5	164.3	179.9	-66.1	-178.2	70.8	-111.8	22.2	111.5	L223 S224 P228 P229 I230 S283	L223-R226 WeakPolarHBondContact O-CB 3.13Å; L223-R226 PolarHBondContact O-N 3.21Å; S224-R226 VanDerWaalsContact C-N 3.31Å; R226-P228 CarbonylContact C-O 3.53Å; R226-P228 VanDerWaalsContact CB-O 3.23Å; R226-P228 WeakPolarHBondContact CB-O 3.27Å; R226-P228 PolarHBondContact NH1-O 3.05Å; R226-P228 CarbonylContact O-C 3.56Å; R226-P229 VanDerWaalsContact O-N 3.17Å; R226-I230 VanDerWaalsContact NH1-CD1 3.35Å; R226-I230 VanDerWaalsContact NH1-CG1 3.29Å; R226-S283 PolarHBondContact NH2-OG 2.92Å
227	S	92.9	Very high	96.8	Very high	124 Å²	124	47.5 Å²	47.5	87%	0.867	25%	0.252	S	S	*	.	S	Bend	trans	-126.3	106.8	169.5	-168.3	0	0	0	0	109.3
228	P	94	Very high	96.7	Very high	84 Å²	84	48.1 Å²	48.1	55%	0.545	26%	0.259	S	S	.	.	S	Bend	cis	-70.7	156.2	-5.8	31.6	-35.2	0	0	0	112.7	R226	R226-P228 CarbonylContact C-O 3.53Å; R226-P228 VanDerWaalsContact CB-O 3.23Å; R226-P228 WeakPolarHBondContact CB-O 3.27Å; R226-P228 PolarHBondContact NH1-O 3.05Å; R226-P228 CarbonylContact O-C 3.56Å
229	P	95.7	Very high	96.8	Very high	78 Å²	78	46.5 Å²	46.5	51%	0.506	26%	0.264	S	S	.	.			trans	-66	149.6	174	28.6	-34.8	0	0	0	110.9	R226	R226-P229 VanDerWaalsContact O-N 3.17Å
230	I	97.9	Very high	96.8	Very high	2 Å²	2	48.2 Å²	48.2	1%	0.01	27%	0.272	C	S	.	.			trans	-107.3	106.2	168.6	-57.8	175.1	0	0	0	107.6	I196 L223 R226 L232 M279	I196-I230 HydrophobicContact CG2-CD1 4.49Å; I196-I230 HydrophobicContact CG2-CG1 4.16Å; I196-I230 HydrophobicContact CG2-CG2 4.19Å; L223-I230 HydrophobicContact CB-CB 4.14Å; L223-I230 WeakPolarHBondContact CB-O 3.22Å; L223-I230 HydrophobicContact CD1-CB 4.48Å; L223-I230 HydrophobicContact CD1-CG2 4.46Å; L223-I230 HydrophobicContact CD2-CB 4.39Å; L223-I230 HydrophobicContact CD2-CD1 4.17Å; L223-I230 PolarHBondContact O-N 3.26Å; L223-I230 VanDerWaalsContact O-N 3.16Å; R226-I230 VanDerWaalsContact NH1-CD1 3.35Å; R226-I230 VanDerWaalsContact NH1-CG1 3.29Å; I230-L232 HydrophobicContact CG2-CD1 4.49Å; I230-M279 HydrophobicContact CD1-CB 4.26Å; I230-M279 WeakPolarHBondContact CD1-O 3.45Å; I230-M279 HydrophobicContact CG2-CB 4.34Å; I230-M279 HydrophobicContact CG2-CE 3.8Å
231	P	98	Very high	96.7	Very high	39 Å²	39	52.2 Å²	52.2	25%	0.253	30%	0.296	S	S	.	.			trans	-66.9	144.1	176.8	25.9	-33	0	0	0	111.1	L180 A194 I196 I197 L198	L180-P231 HydrophobicContact CD1-CB 4.05Å; A194-P231 HydrophobicContact CB-CG 4.25Å; I196-P231 WeakPolarHBondContact O-CD 3.18Å; I197-P231 WeakPolarHBondContact CA-O 3.49Å; I197-P231 HydrophobicContact CB-CG 3.87Å; I197-P231 HydrophobicContact CD1-CB 4.01Å; I197-P231 HydrophobicContact CD1-CG 3.96Å; I197-P231 HydrophobicContact CG1-CB 4.03Å; I197-P231 HydrophobicContact CG1-CG 3.81Å; I197-P231 WeakPolarHBondContact CG1-O 3.42Å; L198-P231 PolarHBondContact N-O 3.45Å
232	L	98.6	Very high	96.7	Very high	3 Å²	3	50.5 Å²	50.5	2%	0.016	29%	0.293	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.5	140.6	165.2	-96.7	61.3	0	0	0	107.5	T179 L180 L198 Y216 A219 A220 L223 I230 I275	T179-L232 CarbonylContact C-O 3.46Å; T179-L232 VanDerWaalsContact CA-O 3.3Å; T179-L232 WeakPolarHBondContact CA-O 3.38Å; T179-L232 HydrophobicContact CG2-CB 4.31Å; L180-L232 PolarHBondContact N-O 2.8Å; L198-L232 HydrophobicContact CB-CD1 3.91Å; L198-L232 HydrophobicContact CB-CG 3.97Å; L198-L232 HydrophobicContact CD2-CD1 4.36Å; L198-L232 HydrophobicContact CD2-CD2 4.34Å; L198-L232 HydrophobicContact CD2-CG 4.15Å; L198-L232 HydrophobicContact CG-CG 4.42Å; L198-L232 CarbonylContact O-C 3.42Å; L198-L232 WeakPolarHBondContact O-CA 3.11Å; Y216-L232 HydrophobicContact CD1-CD2 4.23Å; Y216-L232 HydrophobicContact CD2-CD2 3.82Å; Y216-L232 HydrophobicContact CE1-CB 3.89Å; Y216-L232 HydrophobicContact CE1-CD2 4.05Å; Y216-L232 HydrophobicContact CE1-CG 4.12Å; Y216-L232 HydrophobicContact CE2-CD2 3.62Å; Y216-L232 HydrophobicContact CE2-CG 3.96Å; Y216-L232 HydrophobicContact CG-CD2 4.11Å; A219-L232 HydrophobicContact CB-CD2 3.97Å; A220-L232 HydrophobicContact CB-CB 3.68Å; A220-L232 HydrophobicContact CB-CD2 4.02Å; A220-L232 HydrophobicContact CB-CG 4.41Å; L223-L232 HydrophobicContact CD1-CD1 3.41Å; L223-L232 VanDerWaalsContact CD1-CD1 3.41Å; L223-L232 HydrophobicContact CD1-CD2 4.48Å; I230-L232 HydrophobicContact CG2-CD1 4.49Å; L232-I275 HydrophobicContact CD2-CG2 4.08Å
233	A	98.5	Very high	96.7	Very high	0 Å²	0	47.3 Å²	47.3	0%	0	28%	0.278	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.2	163	-177.5	0	0	0	0	0	111.3	L180 L182 I197 L198 V199 E200 Y216	L180-A233 HydrophobicContact CB-CB 3.96Å; L180-A233 CarbonylContact O-C 3.55Å; L180-A233 WeakPolarHBondContact O-CA 3.37Å; L180-A233 WeakPolarHBondContact O-CB 3.17Å; L182-A233 HydrophobicContact CD1-CB 3.55Å; L182-A233 HydrophobicContact CG-CB 3.81Å; I197-A233 HydrophobicContact CD1-CB 3.89Å; I197-A233 HydrophobicContact CG1-CB 4.32Å; L198-A233 PolarHBondContact O-N 3.4Å; V199-A233 CarbonylContact C-O 3.58Å; V199-A233 WeakPolarHBondContact CA-O 3.36Å; V199-A233 HydrophobicContact CG2-CB 4.21Å; E200-A233 PolarHBondContact N-O 2.83Å; Y216-A233 WeakPolarHBondContact CE1-O 3.42Å; Y216-A233 PolarHBondContact OH-O 2.69Å
234	K	98.3	Very high	96.7	Very high	30 Å²	30	47.6 Å²	47.6	13%	0.13	28%	0.281	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.3	146.7	177.2	63.7	-179.4	179.1	179.3	0	111.5	E177 L180 V181 L182 E200 Y202	E177-K234 IonicContact OE1-NZ 2.75Å; E177-K234 PolarHBondContact OE1-NZ 2.76Å; E177-K234 WeakPolarHBondContact OE2-CE 3.48Å; E177-K234 IonicContact OE2-NZ 3.22Å; E177-K234 PolarHBondContact OE2-NZ 2.72Å; L180-K234 PolarHBondContact O-N 3.05Å; V181-K234 HydrophobicContact CG2-CG 4.48Å; L182-K234 PolarHBondContact N-O 2.65Å; E200-K234 HydrophobicContact CB-CB 4.43Å; E200-K234 CarbonylContact O-C 3.59Å; E200-K234 VanDerWaalsContact O-CA 3.27Å; E200-K234 WeakPolarHBondContact O-CA 3.32Å; Y202-K234 HydrophobicContact CD1-CB 3.98Å; Y202-K234 HydrophobicContact CE1-CB 3.83Å; Y202-K234 HydrophobicContact CE1-CD 3.96Å; Y202-K234 HydrophobicContact CE1-CG 4Å
235	V	98.5	Very high	96.8	Very high	0 Å²	0	53 Å²	53	0%	0	30%	0.297	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.3	122.1	178.1	176.2	0	0	0	0	107.6	L182 F187 V199 E200 F201 Y202 A237 E240 L243	L182-V235 HydrophobicContact CB-CG2 3.74Å; F187-V235 HydrophobicContact CD2-CG2 4.01Å; F187-V235 HydrophobicContact CE2-CG2 3.93Å; V199-V235 HydrophobicContact CG1-CG2 3.78Å; E200-V235 PolarHBondContact O-N 3.37Å; F201-V235 HydrophobicContact CD1-CB 3.82Å; F201-V235 HydrophobicContact CD1-CG1 3.86Å; F201-V235 HydrophobicContact CD1-CG2 4.36Å; F201-V235 HydrophobicContact CE1-CB 4.03Å; F201-V235 HydrophobicContact CE1-CG1 3.98Å; F201-V235 HydrophobicContact CE1-CG2 4.1Å; F201-V235 HydrophobicContact CG-CB 4.5Å; Y202-V235 WeakPolarHBondContact CD1-O 3.44Å; Y202-V235 VanDerWaalsContact CE1-C 3.46Å; Y202-V235 PolarHBondContact N-O 3.49Å; V235-A237 PolarHBondContact O-N 3.19Å; V235-E240 HydrophobicContact CG1-CB 3.63Å; V235-E240 HydrophobicContact CG1-CG 3.94Å; V235-L243 HydrophobicContact CG1-CD1 4.17Å
236	D	97.7	Very high	96.8	Very high	36 Å²	36	52.7 Å²	52.7	19%	0.193	29%	0.293	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-71.4	99.3	166.5	-176.2	-19.9	0	0	0	108.1	Y202 P204 T238 A239 E240	Y202-D236 HydrophobicContact CE1-CB 4.19Å; Y202-D236 HydrophobicContact CE2-CB 4.41Å; P204-D236 WeakPolarHBondContact CD-OD1 3.43Å; P204-D236 WeakPolarHBondContact CD-OD2 3.47Å; P204-D236 WeakPolarHBondContact CG-OD2 3.3Å; D236-T238 PolarHBondContact O-N 2.9Å; D236-T238 WeakPolarHBondContact OD1-CA 3.44Å; D236-T238 WeakPolarHBondContact OD1-CB 3.41Å; D236-T238 PolarHBondContact OD1-N 2.84Å; D236-T238 PolarHBondContact OD1-OG1 2.98Å; D236-A239 HydrophobicContact CB-CB 4.24Å; D236-A239 PolarHBondContact O-N 3.45Å; D236-A239 PolarHBondContact OD1-N 3.37Å; D236-E240 VanDerWaalsContact O-CB 3.32Å; D236-E240 WeakPolarHBondContact O-CB 2.97Å; D236-E240 PolarHBondContact O-N 3.24Å
237	A	97.6	Very high	96.9	Very high	1 Å²	1	49.9 Å²	49.9	1%	0.008	28%	0.283	C	S	.	.	T	Hydrogen-bonded Turn	trans	-71.4	-11	-177	0	0	0	0	0	113.2	F201 Y202 V235 A244 Y252	F201-A237 HydrophobicContact CB-CB 4.24Å; F201-A237 HydrophobicContact CD1-CB 4.47Å; Y202-A237 PolarHBondContact O-N 2.85Å; V235-A237 PolarHBondContact O-N 3.19Å; A237-A244 HydrophobicContact CB-CB 3.91Å; A237-Y252 HydrophobicContact CB-CD1 4.21Å; A237-Y252 HydrophobicContact CB-CE1 3.34Å
238	T	95	Very high	97.1	Very high	57 Å²	57	50.6 Å²	50.6	35%	0.35	28%	0.277	S	S	.	.	T	Hydrogen-bonded Turn	trans	-83.2	-28.2	173.8	70.6	0	0	0	0	112.2	A203 D236	A203-T238 HydrophobicContact CB-CG2 3.46Å; A203-T238 VanDerWaalsContact CB-CG2 3.46Å; D236-T238 PolarHBondContact O-N 2.9Å; D236-T238 WeakPolarHBondContact OD1-CA 3.44Å; D236-T238 WeakPolarHBondContact OD1-CB 3.41Å; D236-T238 PolarHBondContact OD1-N 2.84Å; D236-T238 PolarHBondContact OD1-OG1 2.98Å
239	A	96.4	Very high	97.2	Very high	66 Å²	66	47.5 Å²	47.5	55%	0.545	26%	0.256	S	S	.	.	T	Hydrogen-bonded Turn	trans	-87.1	-46.2	169.9	0	0	0	0	0	111.5	D236 T241	D236-A239 HydrophobicContact CB-CB 4.24Å; D236-A239 PolarHBondContact O-N 3.45Å; D236-A239 PolarHBondContact OD1-N 3.37Å; A239-T241 VanDerWaalsContact C-N 3.32Å; A239-T241 PolarHBondContact O-N 2.96Å; A239-T241 VanDerWaalsContact O-N 3.15Å
240	E	97.5	Very high	97.1	Very high	36 Å²	36	49.7 Å²	49.7	17%	0.168	27%	0.273	C	S	.	.			trans	-91.9	52.8	-174.5	-59.7	-62.7	151.4	0	0	112.4	T183 K184 V235 D236 D242 L243 A244	T183-E240 WeakPolarHBondContact CB-OE1 3.47Å; K184-E240 WeakPolarHBondContact CB-OE2 3.31Å; K184-E240 PolarHBondContact N-OE2 3.36Å; V235-E240 HydrophobicContact CG1-CB 3.63Å; V235-E240 HydrophobicContact CG1-CG 3.94Å; D236-E240 VanDerWaalsContact O-CB 3.32Å; D236-E240 WeakPolarHBondContact O-CB 2.97Å; D236-E240 PolarHBondContact O-N 3.24Å; E240-D242 VanDerWaalsContact C-N 3.26Å; E240-D242 PolarHBondContact O-N 3.43Å; E240-L243 HydrophobicContact CB-CB 4.22Å; E240-L243 HydrophobicContact CB-CD1 4.06Å; E240-L243 HydrophobicContact CB-CG 4.41Å; E240-L243 HydrophobicContact CG-CD1 4.36Å; E240-L243 WeakPolarHBondContact O-CB 3.42Å; E240-L243 PolarHBondContact O-N 3.43Å; E240-A244 PolarHBondContact O-N 3.5Å
241	T	96.4	Very high	97	Very high	86 Å²	86	51 Å²	51	53%	0.528	29%	0.287	S	S	.	.	H	α-helix	trans	-59.1	-32.5	-172.9	57.3	0	0	0	0	114	A239 A244 K245	A239-T241 VanDerWaalsContact C-N 3.32Å; A239-T241 PolarHBondContact O-N 2.96Å; A239-T241 VanDerWaalsContact O-N 3.15Å; T241-A244 PolarHBondContact O-N 2.95Å; T241-K245 WeakPolarHBondContact O-CB 3.41Å; T241-K245 PolarHBondContact O-N 3.44Å
242	D	96.9	Very high	96.9	Very high	89 Å²	89	52.3 Å²	52.3	48%	0.476	29%	0.287	S	S	.	.	H	α-helix	trans	-64.2	-41.9	174.6	-81.7	-15.8	0	0	0	112	K184 E240 R246	K184-D242 IonicContact NZ-OD2 3.54Å; K184-D242 PolarHBondContact NZ-OD2 3.4Å; E240-D242 VanDerWaalsContact C-N 3.26Å; E240-D242 PolarHBondContact O-N 3.43Å; D242-R246 VanDerWaalsContact O-CB 3.3Å; D242-R246 WeakPolarHBondContact O-CB 3.21Å; D242-R246 PolarHBondContact O-N 2.73Å
243	L	97.3	Very high	96.8	Very high	6 Å²	6	52.3 Å²	52.3	3%	0.031	29%	0.288	C	S	.	.	H	α-helix	trans	-67.6	-43.9	176.2	-70.6	179.2	0	0	0	110.6	F187 F201 V235 E240 K245 R246 F247	F187-L243 HydrophobicContact CB-CD1 3.96Å; F187-L243 HydrophobicContact CB-CD2 4.09Å; F187-L243 HydrophobicContact CD1-CD2 4.15Å; F187-L243 HydrophobicContact CD2-CD1 3.66Å; F187-L243 HydrophobicContact CD2-CD2 4.15Å; F187-L243 HydrophobicContact CE2-CD1 4.44Å; F187-L243 HydrophobicContact CG-CD1 3.98Å; F187-L243 HydrophobicContact CG-CD2 3.86Å; F201-L243 HydrophobicContact CE1-CB 4.33Å; V235-L243 HydrophobicContact CG1-CD1 4.17Å; E240-L243 HydrophobicContact CB-CB 4.22Å; E240-L243 HydrophobicContact CB-CD1 4.06Å; E240-L243 HydrophobicContact CB-CG 4.41Å; E240-L243 HydrophobicContact CG-CD1 4.36Å; E240-L243 WeakPolarHBondContact O-CB 3.42Å; E240-L243 PolarHBondContact O-N 3.43Å; L243-K245 VanDerWaalsContact C-N 3.31Å; L243-K245 PolarHBondContact O-N 3.29Å; L243-R246 PolarHBondContact O-N 2.93Å; L243-F247 HydrophobicContact CD2-CE2 4.36Å; L243-F247 VanDerWaalsContact O-CD2 3.25Å; L243-F247 WeakPolarHBondContact O-CD2 3.44Å; L243-F247 PolarHBondContact O-N 2.8Å
244	A	97	Very high	96.8	Very high	6 Å²	6	53.8 Å²	53.8	5%	0.05	30%	0.297	C	S	.	.	H	α-helix	trans	-57.3	-45.5	176.6	0	0	0	0	0	111.6	A237 E240 T241 F247 D248 V249	A237-A244 HydrophobicContact CB-CB 3.91Å; E240-A244 PolarHBondContact O-N 3.5Å; T241-A244 PolarHBondContact O-N 2.95Å; A244-F247 PolarHBondContact O-N 2.91Å; A244-D248 PolarHBondContact O-N 2.83Å; A244-V249 HydrophobicContact CB-CB 4.16Å; A244-V249 WeakPolarHBondContact O-CB 3.41Å; A244-V249 PolarHBondContact O-N 3.07Å
245	K	97.3	Very high	96.8	Very high	169 Å²	169	52.8 Å²	52.8	74%	0.735	29%	0.293	S	S	*	.	H	α-helix	trans	-66	-42.3	176	-174.9	178.2	179.4	-179.7	0	112.5	T241 L243 F247 D248	T241-K245 WeakPolarHBondContact O-CB 3.41Å; T241-K245 PolarHBondContact O-N 3.44Å; L243-K245 VanDerWaalsContact C-N 3.31Å; L243-K245 PolarHBondContact O-N 3.29Å; K245-F247 PolarHBondContact O-N 3.41Å; K245-D248 PolarHBondContact O-N 3.46Å
246	R	97.5	Very high	96.8	Very high	124 Å²	124	53.8 Å²	53.8	47%	0.468	30%	0.297	S	S	.	.	H	α-helix	trans	-58.1	-30.8	179.8	175.4	177.8	166	-170	-7.5	112.7	D188 D242 L243	D188-R246 VanDerWaalsContact CG-NH1 3.29Å; D188-R246 IonicContact OD1-CZ 2.76Å; D188-R246 IonicContact OD1-NH1 3.08Å; D188-R246 PolarHBondContact OD1-NH1 2.97Å; D188-R246 IonicContact OD1-NH2 2.78Å; D188-R246 PolarHBondContact OD1-NH2 3.33Å; D188-R246 IonicContact OD2-CZ 2.91Å; D188-R246 IonicContact OD2-NH1 2.98Å; D188-R246 PolarHBondContact OD2-NH1 2.92Å; D242-R246 VanDerWaalsContact O-CB 3.3Å; D242-R246 WeakPolarHBondContact O-CB 3.21Å; D242-R246 PolarHBondContact O-N 2.73Å; L243-R246 PolarHBondContact O-N 2.93Å
247	F	96.4	Very high	96.8	Very high	12 Å²	12	52.1 Å²	52.1	5%	0.053	29%	0.288	C	S	.	.	T	Hydrogen-bonded Turn	trans	-111.5	20.6	-178.4	-59.4	-65.5	0	0	0	113.3	F187 F201 L243 A244 K245 V249 K256 F258 P263	F187-F247 HydrophobicContact CD1-CE2 4.2Å; F187-F247 HydrophobicContact CD1-CZ 4.4Å; F187-F247 AromaticContact CE1-CE2 3.36Å; F187-F247 HydrophobicContact CE1-CE2 3.36Å; F187-F247 AromaticContact CE1-CZ 3.46Å; F187-F247 HydrophobicContact CE1-CZ 3.46Å; F187-F247 VanDerWaalsContact CE1-CZ 3.46Å; F187-F247 HydrophobicContact CE2-CE2 4.21Å; F187-F247 HydrophobicContact CZ-CD2 4.13Å; F187-F247 AromaticContact CZ-CE2 3.35Å; F187-F247 HydrophobicContact CZ-CE2 3.35Å; F187-F247 AromaticContact CZ-CZ 3.82Å; F187-F247 HydrophobicContact CZ-CZ 3.82Å; F201-F247 HydrophobicContact CE1-CD2 4.2Å; F201-F247 HydrophobicContact CZ-CB 4.34Å; F201-F247 AromaticContact CZ-CD2 3.66Å; F201-F247 HydrophobicContact CZ-CD2 3.66Å; F201-F247 HydrophobicContact CZ-CE2 4.38Å; F201-F247 HydrophobicContact CZ-CG 4.29Å; L243-F247 HydrophobicContact CD2-CE2 4.36Å; L243-F247 VanDerWaalsContact O-CD2 3.25Å; L243-F247 WeakPolarHBondContact O-CD2 3.44Å; L243-F247 PolarHBondContact O-N 2.8Å; A244-F247 PolarHBondContact O-N 2.91Å; K245-F247 PolarHBondContact O-N 3.41Å; F247-V249 VanDerWaalsContact C-N 3.28Å; F247-V249 HydrophobicContact CB-CG2 4.5Å; F247-V249 PolarHBondContact O-N 2.95Å; F247-K256 HydrophobicContact CB-CD 4Å; F247-K256 WeakPolarHBondContact O-CE 3.34Å; F247-K256 PolarHBondContact O-NZ 2.93Å; F247-F258 HydrophobicContact CD1-CE1 4.02Å; F247-F258 HydrophobicContact CD1-CZ 4.07Å; F247-F258 HydrophobicContact CD2-CZ 4.27Å; F247-F258 AromaticContact CE1-CE1 3.51Å; F247-F258 HydrophobicContact CE1-CE1 3.51Å; F247-F258 AromaticContact CE1-CZ 3.95Å; F247-F258 HydrophobicContact CE1-CZ 3.95Å; F247-F258 HydrophobicContact CE2-CE1 4.27Å; F247-F258 HydrophobicContact CE2-CZ 4.16Å; F247-F258 HydrophobicContact CG-CZ 4.23Å; F247-F258 AromaticContact CZ-CE1 3.65Å; F247-F258 HydrophobicContact CZ-CE1 3.65Å; F247-F258 AromaticContact CZ-CZ 3.99Å; F247-F258 HydrophobicContact CZ-CZ 3.99Å; F247-P263 HydrophobicContact CD1-CB 4.13Å; F247-P263 HydrophobicContact CD1-CG 4.21Å; F247-P263 HydrophobicContact CE1-CB 4.31Å; F247-P263 HydrophobicContact CE1-CG 4.22Å
248	D	95.8	Very high	96.8	Very high	139 Å²	139	52.1 Å²	52.1	74%	0.743	29%	0.288	S	S	*	.	T	Hydrogen-bonded Turn	trans	54.3	38.9	174.6	-58	-53.9	0	0	0	114.2	A244 K245 S250	A244-D248 PolarHBondContact O-N 2.83Å; K245-D248 PolarHBondContact O-N 3.46Å; D248-S250 PolarHBondContact O-N 3.45Å
249	V	97.1	Very high	96.7	Very high	19 Å²	19	50.6 Å²	50.6	12%	0.115	28%	0.276	C	S	.	.			trans	-74.3	111.3	177.3	178.7	0	0	0	0	109.6	F201 A244 F247 Y252 T254	F201-V249 HydrophobicContact CB-CG1 4Å; F201-V249 HydrophobicContact CB-CG2 3.94Å; F201-V249 HydrophobicContact CD1-CG2 3.89Å; F201-V249 HydrophobicContact CD2-CG2 3.95Å; F201-V249 HydrophobicContact CE1-CG2 4.38Å; F201-V249 HydrophobicContact CE2-CG2 4.44Å; F201-V249 HydrophobicContact CG-CG2 3.65Å; A244-V249 HydrophobicContact CB-CB 4.16Å; A244-V249 WeakPolarHBondContact O-CB 3.41Å; A244-V249 PolarHBondContact O-N 3.07Å; F247-V249 VanDerWaalsContact C-N 3.28Å; F247-V249 HydrophobicContact CB-CG2 4.5Å; F247-V249 PolarHBondContact O-N 2.95Å; V249-Y252 HydrophobicContact CG1-CD1 4.13Å; V249-Y252 HydrophobicContact CG1-CE1 3.7Å; V249-T254 HydrophobicContact CG1-CG2 4.47Å; V249-T254 HydrophobicContact CG2-CG2 4.17Å
250	S	94.3	Very high	96.5	Very high	124 Å²	124	54 Å²	54	87%	0.867	28%	0.279	S	S	*	.			trans	-107.2	-5.5	-178.1	57.2	0	0	0	0	114.5	D248	D248-S250 PolarHBondContact O-N 3.45Å
251	G	94.9	Very high	96.3	Very high	29 Å²	29	53 Å²	53	30%	0.299	28%	0.277	S	S	.	.	S	Bend	trans	-167.7	172.8	-179.9	0	0	0	0	0	112.7	T254	G251-T254 PolarHBondContact O-OG1 2.92Å
252	Y	96.2	Very high	96.1	Very high	66 Å²	66	53.6 Å²	53.6	26%	0.259	27%	0.27	S	S	.	.	S	Bend	trans	-128.8	142.1	-171.1	-49.5	-59.8	0	0	0	113	A203 W205 A237 V249	A203-Y252 HydrophobicContact CB-CD2 3.49Å; A203-Y252 VanDerWaalsContact CB-CD2 3.49Å; A203-Y252 HydrophobicContact CB-CE2 3.8Å; A203-Y252 HydrophobicContact CB-CG 3.89Å; W205-Y252 HydrophobicContact CH2-CD2 4.26Å; W205-Y252 HydrophobicContact CH2-CE2 4.44Å; W205-Y252 HydrophobicContact CZ2-CD2 4.44Å; W205-Y252 HydrophobicContact CZ2-CE2 4.29Å; A237-Y252 HydrophobicContact CB-CD1 4.21Å; A237-Y252 HydrophobicContact CB-CE1 3.34Å; V249-Y252 HydrophobicContact CG1-CD1 4.13Å; V249-Y252 HydrophobicContact CG1-CE1 3.7Å
253	P	97	Very high	96	Very high	4 Å²	4	52.3 Å²	52.3	3%	0.026	27%	0.266	C	S	.	.	S	Bend	cis	-73.4	142.3	-12.8	28.4	-31.2	0	0	0	111.2	E200 F201 L212 L255 R270	E200-P253 HydrophobicContact CG-CB 4.07Å; E200-P253 WeakPolarHBondContact OE1-CB 3.18Å; F201-P253 WeakPolarHBondContact O-CA 3.46Å; L212-P253 HydrophobicContact CD2-CB 3.93Å; L212-P253 HydrophobicContact CD2-CG 3.76Å; P253-L255 HydrophobicContact CB-CD1 4.16Å; P253-L255 HydrophobicContact CG-CD1 4.44Å; P253-R270 PolarHBondContact O-NH2 3.09Å
254	T	98.2	Very high	95.8	Very high	31 Å²	31	53.1 Å²	53.1	19%	0.19	27%	0.269	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.2	126.4	165.9	-70.8	0	0	0	0	108.5	F201 V249 G251 K256	F201-T254 PolarHBondContact N-O 3.35Å; F201-T254 PolarHBondContact O-N 3.46Å; V249-T254 HydrophobicContact CG1-CG2 4.47Å; V249-T254 HydrophobicContact CG2-CG2 4.17Å; G251-T254 PolarHBondContact O-OG1 2.92Å; T254-K256 HydrophobicContact CG2-CG 4.42Å
255	L	98.4	Very high	95.6	Very high	9 Å²	9	57.1 Å²	57.1	5%	0.047	29%	0.29	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.2	135.9	178.8	-70	88.4	0	0	0	109.5	L198 V199 L212 Y216 P253 Y266	L198-L255 HydrophobicContact CD1-CB 4.22Å; L198-L255 HydrophobicContact CD1-CD2 4.31Å; L198-L255 HydrophobicContact CD2-CD2 4.18Å; L198-L255 HydrophobicContact CG-CD2 4.41Å; V199-L255 WeakPolarHBondContact O-CA 3.38Å; L212-L255 HydrophobicContact CD2-CD1 3.87Å; L212-L255 HydrophobicContact CD2-CD2 4.33Å; L212-L255 HydrophobicContact CD2-CG 4.49Å; Y216-L255 HydrophobicContact CD2-CD2 4.36Å; Y216-L255 HydrophobicContact CE2-CD2 3.9Å; P253-L255 HydrophobicContact CB-CD1 4.16Å; P253-L255 HydrophobicContact CG-CD1 4.44Å; L255-Y266 HydrophobicContact CB-CD1 3.85Å; L255-Y266 HydrophobicContact CB-CG 3.85Å; L255-Y266 HydrophobicContact CD2-CD1 3.97Å; L255-Y266 HydrophobicContact CD2-CE1 4.2Å; L255-Y266 HydrophobicContact CD2-CG 4.35Å; L255-Y266 HydrophobicContact CG-CD1 4.42Å; L255-Y266 WeakPolarHBondContact O-CB 3.21Å; L255-Y266 PolarHBondContact O-N 3.2Å
256	K	97.8	Very high	95.5	Very high	21 Å²	21	50 Å²	50	9%	0.091	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.7	135.8	174.7	-70.7	-172.5	-176.7	-77.2	0	111	V199 F201 F247 T254 F258 Y264 D265	V199-K256 PolarHBondContact N-O 3.38Å; V199-K256 PolarHBondContact O-N 2.85Å; F201-K256 HydrophobicContact CE2-CB 4.42Å; F201-K256 HydrophobicContact CE2-CD 4.3Å; F247-K256 HydrophobicContact CB-CD 4Å; F247-K256 WeakPolarHBondContact O-CE 3.34Å; F247-K256 PolarHBondContact O-NZ 2.93Å; T254-K256 HydrophobicContact CG2-CG 4.42Å; K256-F258 HydrophobicContact CB-CD2 4.26Å; K256-F258 HydrophobicContact CB-CE2 3.61Å; K256-F258 HydrophobicContact CB-CZ 4.17Å; K256-F258 HydrophobicContact CD-CZ 4.47Å; K256-Y264 CarbonylContact C-O 3.44Å; K256-Y264 VanDerWaalsContact CA-O 3.29Å; K256-Y264 WeakPolarHBondContact CA-O 3.11Å; K256-D265 IonicContact NZ-OD1 3.63Å; K256-D265 PolarHBondContact NZ-OD1 3.17Å
257	I	97.4	Very high	95.2	Very high	1 Å²	1	49.2 Å²	49.2	1%	0.005	26%	0.263	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.1	133	168.7	-64	169.7	0	0	0	107.1	I196 I197 L198 R259 P263 Y264 Y266 Y278 M279 Q282	I196-I257 HydrophobicContact CD1-CG2 3.91Å; I196-I257 HydrophobicContact CG1-CG2 3.76Å; I197-I257 CarbonylContact O-C 3.55Å; I197-I257 WeakPolarHBondContact O-CA 3.43Å; L198-I257 HydrophobicContact CD1-CG1 3.88Å; I257-R259 HydrophobicContact CG2-CG 4.35Å; I257-P263 CarbonylContact O-C 3.49Å; I257-Y264 PolarHBondContact N-O 3.03Å; I257-Y264 PolarHBondContact O-N 3.02Å; I257-Y266 HydrophobicContact CD1-CD2 3.96Å; I257-Y266 HydrophobicContact CG1-CD2 4Å; I257-Y278 HydrophobicContact CD1-CD1 4.3Å; I257-Y278 HydrophobicContact CD1-CE1 3.8Å; I257-M279 HydrophobicContact CD1-SD 3.9Å; I257-M279 HydrophobicContact CG1-CE 4.25Å; I257-M279 HydrophobicContact CG1-SD 3.87Å; I257-M279 HydrophobicContact CG2-CE 4.44Å; I257-Q282 HydrophobicContact CD1-CB 4.28Å; I257-Q282 HydrophobicContact CD1-CG 3.82Å
258	F	97.2	Very high	95.1	Very high	0 Å²	0	49.5 Å²	49.5	0%	0	27%	0.27	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.5	140.6	169.1	-65.4	-101.5	0	0	0	110.4	F187 V191 I196 I197 V199 F201 F247 K256 R262 P263	F187-F258 HydrophobicContact CE1-CE1 4.09Å; F187-F258 HydrophobicContact CE1-CZ 4.2Å; F187-F258 AromaticContact CZ-CE1 3.93Å; F187-F258 HydrophobicContact CZ-CE1 3.93Å; F187-F258 HydrophobicContact CZ-CE2 4.04Å; F187-F258 AromaticContact CZ-CZ 3.57Å; F187-F258 HydrophobicContact CZ-CZ 3.57Å; V191-F258 HydrophobicContact CG1-CB 3.25Å; V191-F258 HydrophobicContact CG1-CD1 3.3Å; V191-F258 HydrophobicContact CG1-CD2 4.11Å; V191-F258 HydrophobicContact CG1-CE1 4.1Å; V191-F258 HydrophobicContact CG1-CG 3.29Å; I196-F258 CarbonylContact C-O 3.57Å; I196-F258 VanDerWaalsContact CA-O 3.26Å; I196-F258 WeakPolarHBondContact CA-O 3.33Å; I197-F258 HydrophobicContact CG2-CB 3.65Å; I197-F258 HydrophobicContact CG2-CG 4.5Å; I197-F258 PolarHBondContact N-O 3.44Å; I197-F258 PolarHBondContact O-N 2.94Å; V199-F258 HydrophobicContact CB-CD2 4.08Å; V199-F258 HydrophobicContact CB-CE2 3.8Å; V199-F258 HydrophobicContact CG2-CD2 3.51Å; V199-F258 HydrophobicContact CG2-CE2 3.64Å; F201-F258 HydrophobicContact CE2-CE2 4.35Å; F201-F258 HydrophobicContact CE2-CZ 4.45Å; F201-F258 HydrophobicContact CZ-CZ 4.48Å; F247-F258 HydrophobicContact CD1-CE1 4.02Å; F247-F258 HydrophobicContact CD1-CZ 4.07Å; F247-F258 HydrophobicContact CD2-CZ 4.27Å; F247-F258 AromaticContact CE1-CE1 3.51Å; F247-F258 HydrophobicContact CE1-CE1 3.51Å; F247-F258 AromaticContact CE1-CZ 3.95Å; F247-F258 HydrophobicContact CE1-CZ 3.95Å; F247-F258 HydrophobicContact CE2-CE1 4.27Å; F247-F258 HydrophobicContact CE2-CZ 4.16Å; F247-F258 HydrophobicContact CG-CZ 4.23Å; F247-F258 AromaticContact CZ-CE1 3.65Å; F247-F258 HydrophobicContact CZ-CE1 3.65Å; F247-F258 AromaticContact CZ-CZ 3.99Å; F247-F258 HydrophobicContact CZ-CZ 3.99Å; K256-F258 HydrophobicContact CB-CD2 4.26Å; K256-F258 HydrophobicContact CB-CE2 3.61Å; K256-F258 HydrophobicContact CB-CZ 4.17Å; K256-F258 HydrophobicContact CD-CZ 4.47Å; F258-R262 CarbonylContact C-O 3.42Å; F258-R262 WeakPolarHBondContact CA-O 3.35Å; F258-P263 HydrophobicContact CD1-CB 3.98Å; F258-P263 HydrophobicContact CE1-CB 3.63Å; F258-P263 HydrophobicContact CE1-CG 4.48Å; F258-P263 HydrophobicContact CZ-CB 4.13Å
259	R	94	Very high	95.1	Very high	26 Å²	26	45.6 Å²	45.6	10%	0.098	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.7	108.2	173.3	-59.6	175.3	-178.6	-88.3	0.4	108.2	D195 I196 I257 G261 R262 Y264 Q282 N328	D195-R259 WeakPolarHBondContact O-CA 3.38Å; I196-R259 HydrophobicContact CG1-CG 4.4Å; I257-R259 HydrophobicContact CG2-CG 4.35Å; R259-G261 PolarHBondContact O-N 3.02Å; R259-R262 PolarHBondContact N-O 2.79Å; R259-R262 WeakPolarHBondContact O-CB 3.43Å; R259-R262 PolarHBondContact O-N 2.65Å; R259-Y264 HydrophobicContact CB-CE2 4.02Å; R259-Y264 HydrophobicContact CG-CD2 4.18Å; R259-Y264 HydrophobicContact CG-CE2 3.92Å; R259-Q282 VanDerWaalsContact CZ-O 3.22Å; R259-Q282 PolarHBondContact NH1-O 2.86Å; R259-Q282 PolarHBondContact NH2-O 2.94Å; R259-N328 WeakPolarHBondContact CD-ND2 3.44Å; R259-N328 PolarHBondContact NE-OD1 3.38Å; R259-N328 VanDerWaalsContact NE-OD1 3.16Å
260	K	92.3	Very high	95.1	Very high	138 Å²	138	50 Å²	50	60%	0.6	27%	0.267	S	S	*	.	T	Hydrogen-bonded Turn	trans	48.4	49.3	-178.3	-55.8	-177.5	176.9	-177	0	111.7	N192 A194 D195 R262	N192-K260 WeakPolarHBondContact O-CA 3.4Å; A194-K260 WeakPolarHBondContact O-CA 3.41Å; A194-K260 PolarHBondContact O-N 3.01Å; D195-K260 WeakPolarHBondContact OD1-CE 3.39Å; D195-K260 IonicContact OD1-NZ 2.82Å; D195-K260 PolarHBondContact OD1-NZ 3.48Å; K260-R262 VanDerWaalsContact C-N 3.33Å; K260-R262 PolarHBondContact O-N 3.05Å
261	G	93.7	Very high	95.2	Very high	13 Å²	13	49.7 Å²	49.7	13%	0.134	25%	0.251	C	S	.	.	T	Hydrogen-bonded Turn	trans	88.9	-21.5	-178.5	0	0	0	0	0	116.7	V191 N192 R259	V191-G261 PolarHBondContact O-N 2.9Å; N192-G261 WeakPolarHBondContact OD1-CA 3.45Å; R259-G261 PolarHBondContact O-N 3.02Å
262	R	91.9	Very high	95.2	Very high	99 Å²	99	50.2 Å²	50.2	37%	0.374	25%	0.245	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.5	124.4	-173.8	-63.2	-164.5	-173.5	178.4	22	111.8	F258 R259 K260 Y264 D325 D382	F258-R262 CarbonylContact C-O 3.42Å; F258-R262 WeakPolarHBondContact CA-O 3.35Å; R259-R262 PolarHBondContact N-O 2.79Å; R259-R262 WeakPolarHBondContact O-CB 3.43Å; R259-R262 PolarHBondContact O-N 2.65Å; K260-R262 VanDerWaalsContact C-N 3.33Å; K260-R262 PolarHBondContact O-N 3.05Å; R262-Y264 HydrophobicContact CB-CE2 3.92Å; R262-Y264 VanDerWaalsContact O-CD2 3.32Å; R262-Y264 WeakPolarHBondContact O-CD2 3.32Å; R262-Y264 WeakPolarHBondContact O-CE2 3.39Å; R262-D325 IonicContact CZ-OD2 2.77Å; R262-D325 VanDerWaalsContact NH1-CG 3.31Å; R262-D325 IonicContact NH1-OD2 3.53Å; R262-D325 PolarHBondContact NH1-OD2 2.89Å; R262-D325 IonicContact NH2-OD2 2.83Å; R262-D325 PolarHBondContact NH2-OD2 3.14Å; R262-D382 IonicContact NH1-OD2 2.65Å; R262-D382 PolarHBondContact NH1-OD2 3.49Å
263	P	94.2	Very high	95.3	Very high	62 Å²	62	55.1 Å²	55.1	40%	0.403	26%	0.264	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.1	144.2	-178.7	31.8	-34.2	0	0	0	112.8	F247 I257 F258	F247-P263 HydrophobicContact CD1-CB 4.13Å; F247-P263 HydrophobicContact CD1-CG 4.21Å; F247-P263 HydrophobicContact CE1-CB 4.31Å; F247-P263 HydrophobicContact CE1-CG 4.22Å; I257-P263 CarbonylContact O-C 3.49Å; F258-P263 HydrophobicContact CD1-CB 3.98Å; F258-P263 HydrophobicContact CE1-CB 3.63Å; F258-P263 HydrophobicContact CE1-CG 4.48Å; F258-P263 HydrophobicContact CZ-CB 4.13Å
264	Y	92.5	Very high	95.3	Very high	24 Å²	24	55.7 Å²	55.7	9%	0.094	27%	0.271	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.3	147.4	171	-57.6	-91.8	0	0	0	108.5	K256 I257 R259 R262 N328 N329	K256-Y264 CarbonylContact C-O 3.44Å; K256-Y264 VanDerWaalsContact CA-O 3.29Å; K256-Y264 WeakPolarHBondContact CA-O 3.11Å; I257-Y264 PolarHBondContact N-O 3.03Å; I257-Y264 PolarHBondContact O-N 3.02Å; R259-Y264 HydrophobicContact CB-CE2 4.02Å; R259-Y264 HydrophobicContact CG-CD2 4.18Å; R259-Y264 HydrophobicContact CG-CE2 3.92Å; R262-Y264 HydrophobicContact CB-CE2 3.92Å; R262-Y264 VanDerWaalsContact O-CD2 3.32Å; R262-Y264 WeakPolarHBondContact O-CD2 3.32Å; R262-Y264 WeakPolarHBondContact O-CE2 3.39Å; Y264-N328 HydrophobicContact CD1-CB 4.4Å; Y264-N328 HydrophobicContact CE1-CB 3.59Å; Y264-N328 HydrophobicContact CE2-CB 4.47Å; Y264-N329 HydrophobicContact CE1-CB 4.42Å; Y264-N329 VanDerWaalsContact CE1-OD1 3.22Å; Y264-N329 WeakPolarHBondContact CE1-OD1 3.45Å
265	D	92.6	Very high	95.3	Very high	90 Å²	90	54.2 Å²	54.2	48%	0.481	26%	0.262	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-71.6	144.1	175.7	-66.3	-37.5	0	0	0	111	K256	K256-D265 IonicContact NZ-OD1 3.63Å; K256-D265 PolarHBondContact NZ-OD1 3.17Å
266	Y	95.5	Very high	95.3	Very high	19 Å²	19	54.4 Å²	54.4	8%	0.075	26%	0.263	C	S	.	.			trans	-93.4	111.8	172.1	178.8	-88.8	0	0	0	109.7	L198 L255 I257 G268 P269 I275 Y278 M279	L198-Y266 HydrophobicContact CD1-CD2 3.43Å; L198-Y266 VanDerWaalsContact CD1-CD2 3.43Å; L198-Y266 HydrophobicContact CD1-CE2 4.12Å; L198-Y266 HydrophobicContact CD1-CG 3.88Å; L198-Y266 HydrophobicContact CD2-CD2 4.15Å; L198-Y266 HydrophobicContact CD2-CE2 3.98Å; L198-Y266 HydrophobicContact CG-CD2 4.46Å; L255-Y266 HydrophobicContact CB-CD1 3.85Å; L255-Y266 HydrophobicContact CB-CG 3.85Å; L255-Y266 HydrophobicContact CD2-CD1 3.97Å; L255-Y266 HydrophobicContact CD2-CE1 4.2Å; L255-Y266 HydrophobicContact CD2-CG 4.35Å; L255-Y266 HydrophobicContact CG-CD1 4.42Å; L255-Y266 WeakPolarHBondContact O-CB 3.21Å; L255-Y266 PolarHBondContact O-N 3.2Å; I257-Y266 HydrophobicContact CD1-CD2 3.96Å; I257-Y266 HydrophobicContact CG1-CD2 4Å; Y266-G268 VanDerWaalsContact CE1-CA 3.48Å; Y266-G268 WeakPolarHBondContact CE1-O 3.4Å; Y266-P269 WeakPolarHBondContact CE1-O 3.23Å; Y266-P269 PolarHBondContact OH-O 3.15Å; Y266-I275 WeakPolarHBondContact OH-CA 3.42Å; Y266-Y278 AromaticContact CD2-CD1 3.81Å; Y266-Y278 HydrophobicContact CD2-CD1 3.81Å; Y266-Y278 AromaticContact CD2-CE1 3.83Å; Y266-Y278 HydrophobicContact CD2-CE1 3.83Å; Y266-Y278 AromaticContact CE2-CD1 3.29Å; Y266-Y278 HydrophobicContact CE2-CD1 3.29Å; Y266-Y278 AromaticContact CE2-CE1 3.78Å; Y266-Y278 HydrophobicContact CE2-CE1 3.78Å; Y266-Y278 HydrophobicContact CE2-CG 4.01Å; Y266-Y278 AromaticContact CZ-CD1 3.97Å; Y266-M279 HydrophobicContact CD2-SD 4.31Å; Y266-M279 HydrophobicContact CE2-SD 4.14Å
267	N	91.5	Very high	95.3	Very high	108 Å²	108	58.5 Å²	58.5	58%	0.578	29%	0.286	S	S	*	.			trans	-106.3	14.7	178.7	-62.2	-47.5	0	0	0	113.2	E332	N267-E332 WeakPolarHBondContact CB-OE2 3.47Å; N267-E332 PolarHBondContact ND2-OE2 3.16Å
268	G	94.4	Very high	95.3	Very high	18 Å²	18	59.9 Å²	59.9	19%	0.186	29%	0.292	C	S	.	.	S	Bend	trans	-84.4	179.7	-179	0	0	0	0	0	114.8	Y266	Y266-G268 VanDerWaalsContact CE1-CA 3.48Å; Y266-G268 WeakPolarHBondContact CE1-O 3.4Å
269	P	96.5	Very high	95.3	Very high	57 Å²	57	59.9 Å²	59.9	37%	0.37	29%	0.292	S	S	.	.			trans	-69.7	164.4	176.7	-13.8	28.8	0	0	0	113.3	Y266 E271 I275	Y266-P269 WeakPolarHBondContact CE1-O 3.23Å; Y266-P269 PolarHBondContact OH-O 3.15Å; P269-E271 WeakPolarHBondContact CB-OE2 3.2Å; P269-I275 VanDerWaalsContact O-CG1 3.32Å; P269-I275 WeakPolarHBondContact O-CG1 3.4Å
270	R	96.9	Very high	95.4	Very high	112 Å²	112	61.8 Å²	61.8	42%	0.423	30%	0.303	S	S	.	.	S	Bend	trans	-107.8	-0.3	-175.9	-72.3	-176.5	-179.7	-167.1	-7.5	113.9	L212 P253 I275	L212-R270 HydrophobicContact CD1-CB 4.1Å; L212-R270 WeakPolarHBondContact CD1-O 3.42Å; P253-R270 PolarHBondContact O-NH2 3.09Å; R270-I275 WeakPolarHBondContact O-CD1 3.41Å
271	E	95.9	Very high	95.4	Very high	116 Å²	116	61.7 Å²	61.7	54%	0.542	31%	0.305	S	S	.	.	S	Bend	trans	-88.3	150.7	174.9	-57.8	76.4	-169.8	0	0	110.5	P269 Y273 G274 I275	P269-E271 WeakPolarHBondContact CB-OE2 3.2Å; E271-Y273 VanDerWaalsContact C-N 3.33Å; E271-Y273 PolarHBondContact O-N 2.82Å; E271-Y273 VanDerWaalsContact O-N 3.15Å; E271-G274 PolarHBondContact O-N 3.22Å; E271-I275 WeakPolarHBondContact O-CG1 3.39Å; E271-I275 PolarHBondContact O-N 3.4Å
272	K	96	Very high	95.5	Very high	41 Å²	41	61.6 Å²	61.6	18%	0.178	30%	0.301	C	S	.	.	H	α-helix	trans	-44.6	-54.5	-175.6	177	-153.8	177.7	-172.8	0	113.2	E215 K218 A219 I275 V276	E215-K272 WeakPolarHBondContact OE2-CB 3.5Å; E215-K272 PolarHBondContact OE2-N 3.03Å; K218-K272 HydrophobicContact CB-CB 4.22Å; K218-K272 HydrophobicContact CB-CD 3.75Å; K218-K272 HydrophobicContact CB-CG 3.71Å; K218-K272 HydrophobicContact CD-CD 4.41Å; A219-K272 HydrophobicContact CB-CG 4.33Å; K272-I275 PolarHBondContact O-N 3.43Å; K272-V276 WeakPolarHBondContact O-CB 3.32Å; K272-V276 WeakPolarHBondContact O-CG2 3.37Å; K272-V276 PolarHBondContact O-N 2.89Å
273	Y	96.8	Very high	95.6	Very high	168 Å²	168	58.9 Å²	58.9	66%	0.659	30%	0.297	S	S	*	.	H	α-helix	trans	-66.1	-39.5	-175.7	-66.9	-70.6	0	0	0	112	E271 V276 D277	E271-Y273 VanDerWaalsContact C-N 3.33Å; E271-Y273 PolarHBondContact O-N 2.82Å; E271-Y273 VanDerWaalsContact O-N 3.15Å; Y273-V276 PolarHBondContact O-N 2.99Å; Y273-D277 WeakPolarHBondContact O-CB 3.43Å; Y273-D277 VanDerWaalsContact O-CG 3.3Å; Y273-D277 PolarHBondContact O-N 3.5Å
274	G	97.8	Very high	95.4	Very high	16 Å²	16	57 Å²	57	17%	0.165	29%	0.29	C	S	.	.	H	α-helix	trans	-66.9	-39.5	176.7	0	0	0	0	0	112.7	E271 Y278	E271-G274 PolarHBondContact O-N 3.22Å; G274-Y278 WeakPolarHBondContact O-CB 3.43Å; G274-Y278 PolarHBondContact O-N 3.26Å
275	I	98.6	Very high	95.4	Very high	0 Å²	0	60.4 Å²	60.4	0%	0	31%	0.314	C	S	.	.	H	α-helix	trans	-61.8	-47.3	173.1	-64.5	165.2	0	0	0	110.7	L198 L212 Y216 A219 L232 Y266 P269 R270 E271 K272 Y278 M279	L198-I275 HydrophobicContact CD2-CG2 3.81Å; L212-I275 HydrophobicContact CD1-CD1 4.07Å; Y216-I275 HydrophobicContact CD2-CD1 4.08Å; A219-I275 HydrophobicContact CB-CB 3.91Å; A219-I275 HydrophobicContact CB-CD1 4.36Å; A219-I275 HydrophobicContact CB-CG2 3.69Å; L232-I275 HydrophobicContact CD2-CG2 4.08Å; Y266-I275 WeakPolarHBondContact OH-CA 3.42Å; P269-I275 VanDerWaalsContact O-CG1 3.32Å; P269-I275 WeakPolarHBondContact O-CG1 3.4Å; R270-I275 WeakPolarHBondContact O-CD1 3.41Å; E271-I275 WeakPolarHBondContact O-CG1 3.39Å; E271-I275 PolarHBondContact O-N 3.4Å; K272-I275 PolarHBondContact O-N 3.43Å; I275-Y278 PolarHBondContact O-N 2.99Å; I275-M279 HydrophobicContact CG2-CG 4.29Å; I275-M279 WeakPolarHBondContact O-CB 3.44Å; I275-M279 VanDerWaalsContact O-CG 3.32Å; I275-M279 WeakPolarHBondContact O-CG 3.47Å; I275-M279 PolarHBondContact O-N 3.38Å
276	V	98.3	Very high	95.5	Very high	13 Å²	13	57 Å²	57	8%	0.079	30%	0.297	C	S	.	.	H	α-helix	trans	-59.7	-53.7	179.8	170.1	0	0	0	0	110.9	A219 E222 L223 K272 Y273 Y278 M279 I280	A219-V276 HydrophobicContact CB-CG2 4.04Å; E222-V276 HydrophobicContact CB-CG2 3.95Å; E222-V276 HydrophobicContact CG-CG1 4.36Å; E222-V276 HydrophobicContact CG-CG2 4.18Å; L223-V276 HydrophobicContact CD2-CB 4.45Å; L223-V276 HydrophobicContact CD2-CG1 4.12Å; L223-V276 HydrophobicContact CD2-CG2 4.46Å; L223-V276 HydrophobicContact CG-CG2 4.15Å; K272-V276 WeakPolarHBondContact O-CB 3.32Å; K272-V276 WeakPolarHBondContact O-CG2 3.37Å; K272-V276 PolarHBondContact O-N 2.89Å; Y273-V276 PolarHBondContact O-N 2.99Å; V276-Y278 VanDerWaalsContact C-N 3.34Å; V276-Y278 PolarHBondContact O-N 3.12Å; V276-M279 PolarHBondContact O-N 2.84Å; V276-I280 HydrophobicContact CG1-CD1 3.68Å; V276-I280 HydrophobicContact CG1-CG1 4.49Å; V276-I280 WeakPolarHBondContact O-CB 3.22Å; V276-I280 WeakPolarHBondContact O-CG1 3.34Å; V276-I280 PolarHBondContact O-N 3.49Å
277	D	97.6	Very high	95.6	Very high	107 Å²	107	56.1 Å²	56.1	57%	0.572	29%	0.294	S	S	*	.	H	α-helix	trans	-61.9	-44	-177.9	-70.4	-18.1	0	0	0	111	Y273 I280 E281	Y273-D277 WeakPolarHBondContact O-CB 3.43Å; Y273-D277 VanDerWaalsContact O-CG 3.3Å; Y273-D277 PolarHBondContact O-N 3.5Å; D277-I280 PolarHBondContact O-N 2.97Å; D277-E281 PolarHBondContact O-N 3.14Å
278	Y	96.7	Very high	95.8	Very high	30 Å²	30	58 Å²	58	12%	0.118	30%	0.297	C	S	.	.	H	α-helix	trans	-61.9	-49.1	178.1	-164.2	-93.5	0	0	0	112.1	I257 Y266 G274 I275 V276 I280 E281 Q282 E332	I257-Y278 HydrophobicContact CD1-CD1 4.3Å; I257-Y278 HydrophobicContact CD1-CE1 3.8Å; Y266-Y278 AromaticContact CD2-CD1 3.81Å; Y266-Y278 HydrophobicContact CD2-CD1 3.81Å; Y266-Y278 AromaticContact CD2-CE1 3.83Å; Y266-Y278 HydrophobicContact CD2-CE1 3.83Å; Y266-Y278 AromaticContact CE2-CD1 3.29Å; Y266-Y278 HydrophobicContact CE2-CD1 3.29Å; Y266-Y278 AromaticContact CE2-CE1 3.78Å; Y266-Y278 HydrophobicContact CE2-CE1 3.78Å; Y266-Y278 HydrophobicContact CE2-CG 4.01Å; Y266-Y278 AromaticContact CZ-CD1 3.97Å; G274-Y278 WeakPolarHBondContact O-CB 3.43Å; G274-Y278 PolarHBondContact O-N 3.26Å; I275-Y278 PolarHBondContact O-N 2.99Å; V276-Y278 VanDerWaalsContact C-N 3.34Å; V276-Y278 PolarHBondContact O-N 3.12Å; Y278-I280 VanDerWaalsContact C-N 3.32Å; Y278-I280 PolarHBondContact O-N 2.99Å; Y278-E281 PolarHBondContact O-N 3.47Å; Y278-Q282 HydrophobicContact CD1-CG 3.66Å; Y278-Q282 HydrophobicContact CE1-CG 3.57Å; Y278-Q282 HydrophobicContact CG-CG 4.46Å; Y278-Q282 WeakPolarHBondContact O-CB 3.49Å; Y278-Q282 WeakPolarHBondContact O-CG 3.43Å; Y278-Q282 PolarHBondContact O-N 3.07Å; Y278-E332 PolarHBondContact OH-OE1 3.5Å
279	M	97.7	Very high	96	Very high	0 Å²	0	61.1 Å²	61.1	0%	0	31%	0.306	C	S	.	.	H	α-helix	trans	-67.8	-32.9	-179.2	-71.2	-53.7	-61.5	0	0	112.4	I196 L198 L223 I230 I257 Y266 I275 V276 Q282 S283	I196-M279 HydrophobicContact CD1-CE 3.66Å; I196-M279 HydrophobicContact CG1-CE 3.76Å; L198-M279 HydrophobicContact CB-CE 3.81Å; L198-M279 HydrophobicContact CB-CG 4.43Å; L198-M279 HydrophobicContact CB-SD 3.91Å; L198-M279 HydrophobicContact CD1-SD 4.18Å; L198-M279 HydrophobicContact CD2-CG 3.97Å; L198-M279 HydrophobicContact CD2-SD 3.98Å; L198-M279 HydrophobicContact CG-SD 4.26Å; L223-M279 HydrophobicContact CD1-CB 3.86Å; L223-M279 HydrophobicContact CD1-CG 4.17Å; L223-M279 HydrophobicContact CD2-CB 4.4Å; I230-M279 HydrophobicContact CD1-CB 4.26Å; I230-M279 WeakPolarHBondContact CD1-O 3.45Å; I230-M279 HydrophobicContact CG2-CB 4.34Å; I230-M279 HydrophobicContact CG2-CE 3.8Å; I257-M279 HydrophobicContact CD1-SD 3.9Å; I257-M279 HydrophobicContact CG1-CE 4.25Å; I257-M279 HydrophobicContact CG1-SD 3.87Å; I257-M279 HydrophobicContact CG2-CE 4.44Å; Y266-M279 HydrophobicContact CD2-SD 4.31Å; Y266-M279 HydrophobicContact CE2-SD 4.14Å; I275-M279 HydrophobicContact CG2-CG 4.29Å; I275-M279 WeakPolarHBondContact O-CB 3.44Å; I275-M279 VanDerWaalsContact O-CG 3.32Å; I275-M279 WeakPolarHBondContact O-CG 3.47Å; I275-M279 PolarHBondContact O-N 3.38Å; V276-M279 PolarHBondContact O-N 2.84Å; M279-Q282 PolarHBondContact O-N 2.84Å; M279-S283 WeakPolarHBondContact O-CB 3.09Å; M279-S283 PolarHBondContact O-N 2.98Å
280	I	95.9	Very high	96.1	Very high	67 Å²	67	58.4 Å²	58.4	34%	0.344	29%	0.289	S	S	.	.	H	α-helix	trans	-62.2	-49.3	171.6	-71.6	170.2	0	0	0	110.2	L223 V276 D277 Y278 Q282 S283 G284	L223-I280 HydrophobicContact CD2-CD1 4.48Å; L223-I280 HydrophobicContact CD2-CG1 4.02Å; V276-I280 HydrophobicContact CG1-CD1 3.68Å; V276-I280 HydrophobicContact CG1-CG1 4.49Å; V276-I280 WeakPolarHBondContact O-CB 3.22Å; V276-I280 WeakPolarHBondContact O-CG1 3.34Å; V276-I280 PolarHBondContact O-N 3.49Å; D277-I280 PolarHBondContact O-N 2.97Å; Y278-I280 VanDerWaalsContact C-N 3.32Å; Y278-I280 PolarHBondContact O-N 2.99Å; I280-Q282 VanDerWaalsContact C-N 3.32Å; I280-Q282 PolarHBondContact O-N 2.87Å; I280-S283 PolarHBondContact O-N 2.94Å; I280-S283 PolarHBondContact O-OG 3.42Å; I280-G284 PolarHBondContact O-N 3.16Å
281	E	93.5	Very high	96.1	Very high	135 Å²	135	58.6 Å²	58.6	63%	0.631	30%	0.298	S	S	*	.	H	α-helix	trans	-59	-46.1	176.8	-179.1	172.2	-167.6	0	0	111.1	D277 Y278 S283 G284 R331	D277-E281 PolarHBondContact O-N 3.14Å; Y278-E281 PolarHBondContact O-N 3.47Å; E281-S283 VanDerWaalsContact C-N 3.31Å; E281-S283 PolarHBondContact O-N 3.22Å; E281-G284 PolarHBondContact O-N 3.45Å; E281-G284 VanDerWaalsContact O-N 3.13Å; E281-R331 PolarHBondContact O-NH2 3.05Å
282	Q	94.4	Very high	96.2	Very high	12 Å²	12	56.4 Å²	56.4	6%	0.056	29%	0.292	C	S	.	.	H	α-helix	trans	-63.4	-33.9	177.5	-68.4	-65.9	-29.1	0	0	112.2	I196 I257 R259 Y278 M279 I280 G284 R331	I196-Q282 HydrophobicContact CD1-CB 3.78Å; I257-Q282 HydrophobicContact CD1-CB 4.28Å; I257-Q282 HydrophobicContact CD1-CG 3.82Å; R259-Q282 VanDerWaalsContact CZ-O 3.22Å; R259-Q282 PolarHBondContact NH1-O 2.86Å; R259-Q282 PolarHBondContact NH2-O 2.94Å; Y278-Q282 HydrophobicContact CD1-CG 3.66Å; Y278-Q282 HydrophobicContact CE1-CG 3.57Å; Y278-Q282 HydrophobicContact CG-CG 4.46Å; Y278-Q282 WeakPolarHBondContact O-CB 3.49Å; Y278-Q282 WeakPolarHBondContact O-CG 3.43Å; Y278-Q282 PolarHBondContact O-N 3.07Å; M279-Q282 PolarHBondContact O-N 2.84Å; I280-Q282 VanDerWaalsContact C-N 3.32Å; I280-Q282 PolarHBondContact O-N 2.87Å; Q282-G284 PolarHBondContact O-N 2.9Å; Q282-R331 PolarHBondContact O-NH1 3.06Å; Q282-R331 VanDerWaalsContact O-NH1 3.09Å; Q282-R331 VanDerWaalsContact OE1-CD 3.32Å
283	S	93.5	Very high	96.3	Very high	42 Å²	42	56 Å²	56	29%	0.294	29%	0.292	S	S	.	.	H	α-helix	trans	-65.6	-19.5	176.4	74.4	0	0	0	0	113.8	R226 M279 I280 E281	R226-S283 PolarHBondContact NH2-OG 2.92Å; M279-S283 WeakPolarHBondContact O-CB 3.09Å; M279-S283 PolarHBondContact O-N 2.98Å; I280-S283 PolarHBondContact O-N 2.94Å; I280-S283 PolarHBondContact O-OG 3.42Å; E281-S283 VanDerWaalsContact C-N 3.31Å; E281-S283 PolarHBondContact O-N 3.22Å
284	G	91.7	Very high	96.3	Very high	23 Å²	23	54 Å²	54	24%	0.237	29%	0.287	C	S	.	.	S	Bend	trans	-70.2	161	174.3	0	0	0	0	0	113.3	I280 E281 Q282 R331	I280-G284 PolarHBondContact O-N 3.16Å; E281-G284 PolarHBondContact O-N 3.45Å; E281-G284 VanDerWaalsContact O-N 3.13Å; Q282-G284 PolarHBondContact O-N 2.9Å; G284-R331 PolarHBondContact O-NH1 3.15Å; G284-R331 PolarHBondContact O-NH2 2.65Å; G284-R331 VanDerWaalsContact O-NH2 3.17Å
285	P	91.8	Very high	96.3	Very high	94 Å²	94	55.9 Å²	55.9	61%	0.61	29%	0.291	S	S	*	.			trans	-59.7	138.5	177.6	26.7	-34.7	0	0	0	110.6	S287	P285-S287 PolarHBondContact O-N 3.1Å
286	P	94.3	Very high	96.3	Very high	18 Å²	18	55.9 Å²	55.9	12%	0.117	29%	0.291	C	S	.	.	S	Bend	trans	-74.8	-12.9	-177.2	27.9	-30.8	0	0	0	113.2	Q324 A327 N328 R331	P286-Q324 HydrophobicContact CG-CB 4.12Å; P286-Q324 VanDerWaalsContact CG-O 3.23Å; P286-Q324 WeakPolarHBondContact CG-O 3.47Å; P286-Q324 VanDerWaalsContact CG-OE1 3.26Å; P286-A327 HydrophobicContact CB-CB 3.78Å; P286-A327 HydrophobicContact CG-CB 4.08Å; P286-N328 HydrophobicContact CB-CB 4.47Å; P286-N328 VanDerWaalsContact CB-OD1 3.28Å; P286-N328 WeakPolarHBondContact CB-OD1 3.32Å; P286-N328 WeakPolarHBondContact CG-OD1 3.5Å; P286-R331 HydrophobicContact CB-CB 4.49Å
287	S	97.3	Very high	96.3	Very high	1 Å²	1	59.6 Å²	59.6	1%	0.007	31%	0.308	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.8	147.8	170.3	71	0	0	0	0	112.5	P285 Q324 F336 H338	P285-S287 PolarHBondContact O-N 3.1Å; S287-Q324 PolarHBondContact OG-NE2 3.45Å; S287-Q324 PolarHBondContact OG-OE1 3.39Å; S287-F336 CarbonylContact C-O 3.34Å; S287-F336 WeakPolarHBondContact CA-O 3.45Å; S287-F336 WeakPolarHBondContact CB-O 3.48Å; S287-H338 PolarHBondContact OG-ND1 2.83Å
288	K	97	Very high	96.3	Very high	149 Å²	149	58 Å²	58	65%	0.648	30%	0.297	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-98	134.9	180	-64.4	-176.4	-178.7	-178	0	111.7	F336 H337 H338	K288-F336 PolarHBondContact N-O 2.81Å; K288-H337 CarbonylContact O-C 3.44Å; K288-H337 WeakPolarHBondContact O-CA 3.42Å; K288-H338 PolarHBondContact O-N 3.39Å
289	E	98.1	Very high	96.3	Very high	82 Å²	82	59.1 Å²	59.1	38%	0.383	30%	0.302	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-71	134.4	176.9	-165.4	178.4	-178.2	0	0	111.7	L291 H338 F340	E289-L291 HydrophobicContact CG-CD2 3.86Å; E289-L291 HydrophobicContact CG-CG 4.5Å; E289-L291 WeakPolarHBondContact OE1-CD2 3.26Å; E289-H338 CarbonylContact C-O 3.39Å; E289-H338 WeakPolarHBondContact CA-O 3.38Å; E289-H338 WeakPolarHBondContact CB-NE2 3.38Å; E289-H338 PolarHBondContact N-CE1 3.13Å; E289-F340 WeakPolarHBondContact OE1-CD2 3.22Å
290	I	98.2	Very high	96.3	Very high	1 Å²	1	60 Å²	60	1%	0.005	31%	0.306	C	S	.	.			trans	-100.9	113	170	-52	177.2	0	0	0	107.9	T292 Q295 V296 F299 I309 H337 H338 T339 I344	I290-T292 WeakPolarHBondContact CG2-O 3.45Å; I290-Q295 HydrophobicContact CG2-CB 3.69Å; I290-V296 HydrophobicContact CD1-CG2 4.25Å; I290-V296 HydrophobicContact CG2-CG2 3.8Å; I290-F299 HydrophobicContact CD1-CD2 4.2Å; I290-F299 HydrophobicContact CD1-CE2 3.65Å; I290-F299 HydrophobicContact CG1-CE2 4.06Å; I290-I309 HydrophobicContact CD1-CD1 3.63Å; I290-I309 HydrophobicContact CD1-CG1 3.79Å; I290-I309 HydrophobicContact CD1-CG2 4.01Å; I290-H337 HydrophobicContact CD1-CB 3.64Å; I290-H337 HydrophobicContact CG1-CB 3.83Å; I290-H338 PolarHBondContact N-O 3.2Å; I290-T339 WeakPolarHBondContact O-CB 2.9Å; I290-T339 PolarHBondContact O-OG1 3.48Å; I290-I344 HydrophobicContact CB-CD1 4.36Å; I290-I344 HydrophobicContact CG2-CD1 3.74Å
291	L	97.5	Very high	96.3	Very high	116 Å²	116	63.4 Å²	63.4	61%	0.607	32%	0.319	S	S	*	.			trans	-92.1	-27.8	-175.5	-61.8	175	0	0	0	112.3	E289	E289-L291 HydrophobicContact CG-CD2 3.86Å; E289-L291 HydrophobicContact CG-CG 4.5Å; E289-L291 WeakPolarHBondContact OE1-CD2 3.26Å
292	T	97.5	Very high	96.2	Very high	69 Å²	69	62 Å²	62	42%	0.423	32%	0.316	S	S	.	.	S	Bend	trans	-131.4	149	-171.8	67.8	0	0	0	0	112.9	I290 K294 Q295	I290-T292 WeakPolarHBondContact CG2-O 3.45Å; T292-K294 PolarHBondContact O-N 3.09Å; T292-Q295 PolarHBondContact O-N 3.08Å; T292-Q295 PolarHBondContact OG1-OE1 2.67Å
293	L	97.4	Very high	96.2	Very high	32 Å²	32	62.1 Å²	62.1	17%	0.168	32%	0.321	C	S	.	.	H	α-helix	trans	-59.8	-30.5	174.7	-176.1	146.2	0	0	0	112.2	Q295 V296 Q297 E343 I344 F347	L293-Q295 VanDerWaalsContact C-N 3.32Å; L293-Q295 PolarHBondContact O-N 2.59Å; L293-V296 WeakPolarHBondContact O-CB 2.97Å; L293-V296 PolarHBondContact O-N 2.74Å; L293-Q297 HydrophobicContact CD2-CG 3.79Å; L293-Q297 VanDerWaalsContact CD2-NE2 3.35Å; L293-Q297 WeakPolarHBondContact O-CG 3.06Å; L293-Q297 PolarHBondContact O-N 2.94Å; L293-E343 HydrophobicContact CD1-CG 4.24Å; L293-I344 HydrophobicContact CB-CG1 4.46Å; L293-F347 HydrophobicContact CD1-CB 3.61Å; L293-F347 HydrophobicContact CD1-CD1 4.46Å; L293-F347 HydrophobicContact CD1-CD2 3.78Å; L293-F347 HydrophobicContact CD1-CG 3.69Å; L293-F347 HydrophobicContact CG-CB 4.46Å; L293-F347 HydrophobicContact CG-CD2 4.32Å; L293-F347 HydrophobicContact CG-CG 4.18Å
294	K	98	Very high	96.1	Very high	128 Å²	128	63.8 Å²	63.8	56%	0.557	33%	0.326	S	S	*	.	H	α-helix	trans	-58.1	-41.4	176.9	-169.8	-172.5	-179.7	-124.7	0	112.5	T292 V296 Q297 E298	T292-K294 PolarHBondContact O-N 3.09Å; K294-V296 VanDerWaalsContact C-N 3.31Å; K294-V296 PolarHBondContact O-N 2.89Å; K294-Q297 WeakPolarHBondContact O-CB 3.48Å; K294-Q297 PolarHBondContact O-N 3.3Å; K294-Q297 VanDerWaalsContact O-N 3.16Å; K294-E298 WeakPolarHBondContact CE-OE1 3.44Å; K294-E298 HydrophobicContact CG-CG 4.48Å; K294-E298 IonicContact NZ-OE1 2.68Å; K294-E298 PolarHBondContact NZ-OE1 2.96Å; K294-E298 WeakPolarHBondContact O-CG 3.34Å; K294-E298 PolarHBondContact O-N 2.97Å
295	Q	97.9	Very high	96.2	Very high	54 Å²	54	65 Å²	65	25%	0.252	33%	0.328	S	S	.	.	H	α-helix	trans	-61.9	-40.1	178	-71.6	169.4	-87	0	0	111.7	I290 T292 L293 Q297 E298 F299	I290-Q295 HydrophobicContact CG2-CB 3.69Å; T292-Q295 PolarHBondContact O-N 3.08Å; T292-Q295 PolarHBondContact OG1-OE1 2.67Å; L293-Q295 VanDerWaalsContact C-N 3.32Å; L293-Q295 PolarHBondContact O-N 2.59Å; Q295-Q297 VanDerWaalsContact C-N 3.34Å; Q295-E298 PolarHBondContact O-N 3.19Å; Q295-F299 WeakPolarHBondContact O-CD2 3.2Å; Q295-F299 WeakPolarHBondContact O-CG 3.22Å; Q295-F299 PolarHBondContact O-N 2.94Å
296	V	97.8	Very high	96.5	Very high	0 Å²	0	61 Å²	61	0%	0	30%	0.301	C	S	.	.	H	α-helix	trans	-64.3	-41.4	175.2	-175.9	0	0	0	0	110.9	I290 L293 K294 F299 L300 I309 I344 F347 L348	I290-V296 HydrophobicContact CD1-CG2 4.25Å; I290-V296 HydrophobicContact CG2-CG2 3.8Å; L293-V296 WeakPolarHBondContact O-CB 2.97Å; L293-V296 PolarHBondContact O-N 2.74Å; K294-V296 VanDerWaalsContact C-N 3.31Å; K294-V296 PolarHBondContact O-N 2.89Å; V296-F299 PolarHBondContact O-N 2.78Å; V296-L300 HydrophobicContact CG1-CD1 4.19Å; V296-L300 WeakPolarHBondContact O-CG 3.48Å; V296-L300 PolarHBondContact O-N 3Å; V296-I309 HydrophobicContact CG1-CD1 4.3Å; V296-I309 HydrophobicContact CG2-CD1 4.37Å; V296-I344 HydrophobicContact CG2-CD1 4.27Å; V296-I344 HydrophobicContact CG2-CG1 4.47Å; V296-I344 HydrophobicContact CG2-CG2 3.79Å; V296-F347 HydrophobicContact CG1-CD1 4.16Å; V296-F347 HydrophobicContact CG1-CE1 3.9Å; V296-L348 HydrophobicContact CG1-CD2 3.79Å; V296-L348 HydrophobicContact CG1-CG 4.47Å
297	Q	97.9	Very high	96.6	Very high	92 Å²	92	60.5 Å²	60.5	43%	0.43	30%	0.297	S	S	.	.	H	α-helix	trans	-64.3	-40	176.1	-68.1	175.6	-42.3	0	0	112.3	L293 K294 Q295 L300 K301 F347	L293-Q297 HydrophobicContact CD2-CG 3.79Å; L293-Q297 VanDerWaalsContact CD2-NE2 3.35Å; L293-Q297 WeakPolarHBondContact O-CG 3.06Å; L293-Q297 PolarHBondContact O-N 2.94Å; K294-Q297 WeakPolarHBondContact O-CB 3.48Å; K294-Q297 PolarHBondContact O-N 3.3Å; K294-Q297 VanDerWaalsContact O-N 3.16Å; Q295-Q297 VanDerWaalsContact C-N 3.34Å; Q297-L300 PolarHBondContact O-N 3.23Å; Q297-K301 VanDerWaalsContact O-CB 3.27Å; Q297-K301 WeakPolarHBondContact O-CB 3.4Å; Q297-K301 PolarHBondContact O-N 2.87Å; Q297-F347 HydrophobicContact CG-CZ 4.23Å
298	E	97.8	Very high	96.7	Very high	74 Å²	74	60.4 Å²	60.4	35%	0.346	30%	0.297	S	S	.	.	H	α-helix	trans	-63.8	-42.6	174.7	-73.2	170.2	179.1	0	0	110.9	K294 Q295 L300 K301 D302	K294-E298 WeakPolarHBondContact CE-OE1 3.44Å; K294-E298 HydrophobicContact CG-CG 4.48Å; K294-E298 IonicContact NZ-OE1 2.68Å; K294-E298 PolarHBondContact NZ-OE1 2.96Å; K294-E298 WeakPolarHBondContact O-CG 3.34Å; K294-E298 PolarHBondContact O-N 2.97Å; Q295-E298 PolarHBondContact O-N 3.19Å; E298-L300 PolarHBondContact O-N 2.82Å; E298-K301 PolarHBondContact O-N 2.75Å; E298-D302 WeakPolarHBondContact O-CA 3.45Å; E298-D302 WeakPolarHBondContact O-CB 3.18Å; E298-D302 PolarHBondContact O-N 2.7Å
299	F	97.4	Very high	96.8	Very high	53 Å²	53	53.3 Å²	53.3	23%	0.232	27%	0.266	C	S	.	.	H	α-helix	trans	-60.3	-44.6	173.5	-62.7	-22.7	0	0	0	112.4	I290 Q295 V296 G303 I307 H337	I290-F299 HydrophobicContact CD1-CD2 4.2Å; I290-F299 HydrophobicContact CD1-CE2 3.65Å; I290-F299 HydrophobicContact CG1-CE2 4.06Å; Q295-F299 WeakPolarHBondContact O-CD2 3.2Å; Q295-F299 WeakPolarHBondContact O-CG 3.22Å; Q295-F299 PolarHBondContact O-N 2.94Å; V296-F299 PolarHBondContact O-N 2.78Å; F299-G303 VanDerWaalsContact O-CA 3.24Å; F299-G303 WeakPolarHBondContact O-CA 3.29Å; F299-G303 PolarHBondContact O-N 3.22Å; F299-I307 HydrophobicContact CB-CD1 3.88Å; F299-I307 HydrophobicContact CB-CG1 4.12Å; F299-I307 HydrophobicContact CB-CG2 4.26Å; F299-I307 HydrophobicContact CD2-CG2 4.34Å; F299-I307 WeakPolarHBondContact O-CD1 2.97Å; F299-H337 AromaticContact CE2-CD2 3.63Å; F299-H337 AromaticContact CE2-NE2 3.73Å; F299-H337 AromaticContact CZ-CD2 3.61Å; F299-H337 AromaticContact CZ-NE2 3.37Å; F299-H337 WeakPolarHBondContact CZ-NE2 3.41Å
300	L	97.4	Very high	96.8	Very high	17 Å²	17	49.4 Å²	49.4	9%	0.089	25%	0.248	C	C	.	.	H	α-helix	trans	-64.8	-43	178.6	-74.4	168.8	0	0	0	112	V296 Q297 E298 I307 F347 P360 E361	V296-L300 HydrophobicContact CG1-CD1 4.19Å; V296-L300 WeakPolarHBondContact O-CG 3.48Å; V296-L300 PolarHBondContact O-N 3Å; Q297-L300 PolarHBondContact O-N 3.23Å; E298-L300 PolarHBondContact O-N 2.82Å; L300-I307 HydrophobicContact CD2-CD1 3.89Å; L300-I307 HydrophobicContact CG-CD1 4.26Å; L300-F347 HydrophobicContact CD1-CE1 3.94Å; L300-F347 HydrophobicContact CD1-CZ 4.22Å; L300-P360 CarbonylContact O-C 3.51Å; L300-P360 WeakPolarHBondContact O-CA 3.25Å; L300-E361 HydrophobicContact CB-CG 4.21Å; L300-E361 WeakPolarHBondContact O-CG 3.3Å; L300-E361 PolarHBondContact O-N 3.44Å
301	K	95.4	Very high	96.8	Very high	140 Å²	140	49.4 Å²	49.4	61%	0.609	25%	0.248	S	C	*	.	H	α-helix	trans	-81	-46.6	-173.8	-171.4	-173.8	174.1	-168	0	113.1	Q297 E298	Q297-K301 VanDerWaalsContact O-CB 3.27Å; Q297-K301 WeakPolarHBondContact O-CB 3.4Å; Q297-K301 PolarHBondContact O-N 2.87Å; E298-K301 PolarHBondContact O-N 2.75Å
302	D	92.8	Very high	96.8	Very high	104 Å²	104	43.9 Å²	43.9	56%	0.556	22%	0.219	S	C	*	.	H	α-helix	trans	-110.7	-10.3	-166.8	-54.9	-45.1	0	0	0	112.6	E298	E298-D302 WeakPolarHBondContact O-CA 3.45Å; E298-D302 WeakPolarHBondContact O-CB 3.18Å; E298-D302 PolarHBondContact O-N 2.7Å
303	G	93.4	Very high	96.8	Very high	16 Å²	16	48 Å²	48	17%	0.165	23%	0.231	C	C	.	.			trans	-59.7	150.8	178.4	0	0	0	0	0	113.6	F299 P360 K362	F299-G303 VanDerWaalsContact O-CA 3.24Å; F299-G303 WeakPolarHBondContact O-CA 3.29Å; F299-G303 PolarHBondContact O-N 3.22Å; G303-P360 VanDerWaalsContact O-CB 3.29Å; G303-P360 WeakPolarHBondContact O-CB 3.47Å; G303-P360 WeakPolarHBondContact O-CG 3.47Å; G303-K362 WeakPolarHBondContact O-CE 3.28Å; G303-K362 PolarHBondContact O-NZ 3.48Å
304	D	91.7	Very high	96.7	Very high	77 Å²	77	47.2 Å²	47.2	41%	0.412	23%	0.23	S	C	.	.			trans	-125.2	5.8	-177.8	76.7	-40.9	0	0	0	114.3	K401	D304-K401 IonicContact OD2-NZ 3.26Å; D304-K401 PolarHBondContact OD2-NZ 2.89Å
305	D	93.6	Very high	96.6	Very high	49 Å²	49	47.3 Å²	47.3	26%	0.262	23%	0.233	S	C	.	.	S	Bend	trans	-146.9	172.7	178.3	-162.5	6.3	0	0	0	109.6	P360 R408	D305-P360 WeakPolarHBondContact O-CD 3.45Å; D305-P360 WeakPolarHBondContact O-CG 3.11Å; D305-R408 IonicContact OD1-CZ 3.45Å; D305-R408 IonicContact OD1-NE 3.52Å; D305-R408 PolarHBondContact OD1-NE 3.21Å; D305-R408 IonicContact OD1-NH2 3.49Å; D305-R408 PolarHBondContact OD1-NH2 3.47Å; D305-R408 IonicContact OD2-CZ 3.47Å; D305-R408 IonicContact OD2-NE 3.85Å; D305-R408 IonicContact OD2-NH2 2.73Å; D305-R408 PolarHBondContact OD2-NH2 3.22Å
306	V	97.1	Very high	96.4	Very high	9 Å²	9	50.2 Å²	50.2	6%	0.055	26%	0.259	C	S	.	.			trans	-56.3	138.3	179.4	63.1	0	0	0	0	112.3	I308 Y334 V357 M358 A393	V306-I308 HydrophobicContact CG1-CD1 4.13Å; V306-I308 HydrophobicContact CG1-CG1 4.21Å; V306-I308 HydrophobicContact CG2-CG1 4.11Å; V306-Y334 HydrophobicContact CG1-CD1 3.61Å; V306-Y334 HydrophobicContact CG1-CE1 3.87Å; V306-V357 HydrophobicContact CG2-CG1 3.47Å; V306-V357 VanDerWaalsContact CG2-CG1 3.47Å; V306-M358 WeakPolarHBondContact CG2-O 3.32Å; V306-A393 WeakPolarHBondContact CB-O 3.31Å; V306-A393 HydrophobicContact CG1-CB 4.41Å
307	I	98.2	Very high	96.3	Very high	7 Å²	7	51.2 Å²	51.2	4%	0.036	27%	0.265	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.7	116.8	177.8	-54.4	165.1	0	0	0	107.9	F299 L300 I309 V357 M358 P360	F299-I307 HydrophobicContact CB-CD1 3.88Å; F299-I307 HydrophobicContact CB-CG1 4.12Å; F299-I307 HydrophobicContact CB-CG2 4.26Å; F299-I307 HydrophobicContact CD2-CG2 4.34Å; F299-I307 WeakPolarHBondContact O-CD1 2.97Å; L300-I307 HydrophobicContact CD2-CD1 3.89Å; L300-I307 HydrophobicContact CG-CD1 4.26Å; I307-I309 HydrophobicContact CG2-CD1 3.76Å; I307-I309 HydrophobicContact CG2-CG1 3.88Å; I307-V357 WeakPolarHBondContact O-CA 3.45Å; I307-M358 HydrophobicContact CB-CB 4.35Å; I307-M358 HydrophobicContact CG2-CE 4.17Å; I307-M358 PolarHBondContact N-O 3.21Å; I307-M358 PolarHBondContact O-N 3.5Å; I307-P360 HydrophobicContact CD1-CG 4.2Å; I307-P360 HydrophobicContact CG1-CG 4.33Å
308	I	98.4	Very high	96.1	Very high	0 Å²	0	50.7 Å²	50.7	0%	0	27%	0.269	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.9	114.4	-178.1	-54.2	169.4	0	0	0	108	V306 Y323 Y334 F336 H337 L355 V357 V389	V306-I308 HydrophobicContact CG1-CD1 4.13Å; V306-I308 HydrophobicContact CG1-CG1 4.21Å; V306-I308 HydrophobicContact CG2-CG1 4.11Å; I308-Y323 HydrophobicContact CG2-CE2 4.45Å; I308-Y334 HydrophobicContact CD1-CD1 4.07Å; I308-Y334 HydrophobicContact CD1-CG 4.11Å; I308-F336 HydrophobicContact CD1-CE2 4.3Å; I308-F336 HydrophobicContact CD1-CZ 4.19Å; I308-F336 HydrophobicContact CG2-CD1 3.85Å; I308-F336 HydrophobicContact CG2-CE1 3.88Å; I308-F336 HydrophobicContact CG2-CG 4.46Å; I308-H337 WeakPolarHBondContact O-CB 3.47Å; I308-H337 PolarHBondContact O-N 3.36Å; I308-L355 HydrophobicContact CG2-CD1 3.63Å; I308-V357 HydrophobicContact CG1-CG2 4.49Å; I308-V357 HydrophobicContact CG2-CG2 4.43Å; I308-V389 HydrophobicContact CD1-CG1 3.51Å; I308-V389 HydrophobicContact CD1-CG2 4.28Å; I308-V389 HydrophobicContact CG1-CG1 4.44Å; I308-V389 HydrophobicContact CG2-CG2 4.18Å
309	I	98.6	Very high	96.1	Very high	0 Å²	0	47.3 Å²	47.3	0%	0	25%	0.254	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.7	119.5	-176.8	-53.8	173.8	0	0	0	110	I290 V296 I307 V311 H337 T339 L348 V356 M358	I290-I309 HydrophobicContact CD1-CD1 3.63Å; I290-I309 HydrophobicContact CD1-CG1 3.79Å; I290-I309 HydrophobicContact CD1-CG2 4.01Å; V296-I309 HydrophobicContact CG1-CD1 4.3Å; V296-I309 HydrophobicContact CG2-CD1 4.37Å; I307-I309 HydrophobicContact CG2-CD1 3.76Å; I307-I309 HydrophobicContact CG2-CG1 3.88Å; I309-V311 HydrophobicContact CG2-CG2 4.21Å; I309-H337 CarbonylContact C-O 3.58Å; I309-H337 VanDerWaalsContact CA-O 3.29Å; I309-H337 WeakPolarHBondContact CA-O 3.4Å; I309-H337 HydrophobicContact CG1-CB 4.28Å; I309-T339 HydrophobicContact CG2-CG2 4.26Å; I309-L348 HydrophobicContact CD1-CD1 4.11Å; I309-L348 HydrophobicContact CG2-CD1 4.37Å; I309-V356 HydrophobicContact CB-CG1 3.87Å; I309-V356 PolarHBondContact N-O 2.85Å; I309-V356 WeakPolarHBondContact O-CG1 3.36Å; I309-V356 PolarHBondContact O-N 3.17Å; I309-M358 HydrophobicContact CD1-CE 4.08Å
310	G	98.4	Very high	96.1	Very high	0 Å²	0	45.7 Å²	45.7	0%	0	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.3	132.6	164.6	0	0	0	0	0	111.7	F312 H337 H338 T339	G310-F312 VanDerWaalsContact CA-CE2 3.45Å; G310-H337 PolarHBondContact N-O 3.17Å; G310-H338 CarbonylContact O-C 3.57Å; G310-H338 WeakPolarHBondContact O-CA 3.29Å; G310-T339 PolarHBondContact O-N 3.4Å
311	V	98.4	Very high	95.8	Very high	0 Å²	0	49.4 Å²	49.4	0%	0	26%	0.263	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.3	114.8	178.6	-176.3	0	0	0	0	109.1	I309 T339 A345 L348 V350 Q352 G353 Q354	I309-V311 HydrophobicContact CG2-CG2 4.21Å; V311-T339 WeakPolarHBondContact CA-O 3.32Å; V311-T339 HydrophobicContact CB-CG2 4.42Å; V311-T339 HydrophobicContact CG1-CG2 4.26Å; V311-T339 HydrophobicContact CG2-CG2 3.91Å; V311-A345 HydrophobicContact CG1-CB 3.7Å; V311-L348 HydrophobicContact CG2-CD1 4.45Å; V311-V350 HydrophobicContact CB-CG2 4.06Å; V311-V350 HydrophobicContact CG1-CG2 4.19Å; V311-V350 HydrophobicContact CG2-CG2 3.62Å; V311-Q352 HydrophobicContact CG1-CG 4.23Å; V311-Q352 CarbonylContact O-C 3.56Å; V311-Q352 WeakPolarHBondContact O-CA 3.39Å; V311-G353 PolarHBondContact O-N 2.93Å; V311-Q354 PolarHBondContact N-O 3.25Å; V311-Q354 PolarHBondContact O-N 3.22Å
312	F	98.2	Very high	95.7	Very high	0 Å²	0	43.9 Å²	43.9	0%	0	24%	0.24	C	C	.	.			trans	-132.7	174	-170.3	-56.7	-68.8	0	0	0	112.6	G310 D317 A319 Y320 Y323 H338 T339 F340 Q352 V376	G310-F312 VanDerWaalsContact CA-CE2 3.45Å; F312-D317 HydrophobicContact CB-CB 4.32Å; F312-A319 HydrophobicContact CD1-CB 3.77Å; F312-A319 HydrophobicContact CE1-CB 3.75Å; F312-Y320 AromaticContact CD2-CD2 3.63Å; F312-Y320 HydrophobicContact CD2-CD2 3.63Å; F312-Y320 HydrophobicContact CD2-CG 4.17Å; F312-Y320 HydrophobicContact CE2-CD2 4Å; F312-Y320 HydrophobicContact CG-CD2 4.38Å; F312-Y323 AromaticContact CE2-CD1 3.66Å; F312-Y323 HydrophobicContact CE2-CD1 3.66Å; F312-Y323 HydrophobicContact CE2-CD2 4.42Å; F312-Y323 HydrophobicContact CE2-CE1 4.33Å; F312-Y323 AromaticContact CE2-CG 3.69Å; F312-Y323 HydrophobicContact CE2-CG 3.69Å; F312-Y323 VanDerWaalsContact CZ-CB 3.42Å; F312-Y323 HydrophobicContact CZ-CD1 4.11Å; F312-Y323 HydrophobicContact CZ-CD2 4.13Å; F312-Y323 AromaticContact CZ-CG 3.62Å; F312-Y323 HydrophobicContact CZ-CG 3.62Å; F312-H338 HydrophobicContact CD2-CB 4.44Å; F312-T339 PolarHBondContact N-O 3.2Å; F312-F340 HydrophobicContact CB-CD1 3.99Å; F312-F340 HydrophobicContact CB-CE1 3.93Å; F312-F340 WeakPolarHBondContact O-CA 3.49Å; F312-Q352 PolarHBondContact O-NE2 3.04Å; F312-Q352 VanDerWaalsContact O-NE2 3.12Å; F312-V376 HydrophobicContact CE1-CB 4.15Å; F312-V376 HydrophobicContact CE1-CG1 4.25Å
313	K	96	Very high	95.9	Very high	155 Å²	155	39 Å²	39	67%	0.674	21%	0.213	S	C	*	.	S	Bend	trans	-79.4	-28.4	179.8	-66.8	175.9	-177.9	172.5	0	113.9	D317 Q352	K313-D317 HydrophobicContact CB-CB 4.41Å; K313-D317 WeakPolarHBondContact CB-OD2 3.48Å; K313-D317 PolarHBondContact N-OD2 2.92Å; K313-Q352 HydrophobicContact CG-CB 4.1Å
314	G	96.5	Very high	95.9	Very high	16 Å²	16	38.8 Å²	38.8	17%	0.165	21%	0.208	C	C	.	.			trans	165.1	179.7	-175.6	0	0	0	0	0	110.8	S316 D317 F340	G314-S316 PolarHBondContact O-N 2.95Å; G314-D317 WeakPolarHBondContact O-CB 3.29Å; G314-D317 PolarHBondContact O-N 3.25Å; G314-D317 VanDerWaalsContact O-N 3.08Å; G314-F340 VanDerWaalsContact CA-CE1 3.45Å; G314-F340 VanDerWaalsContact N-CD1 3.28Å; G314-F340 WeakPolarHBondContact O-CE1 3.28Å
315	E	94.9	Very high	95.8	Very high	130 Å²	130	36.7 Å²	36.7	61%	0.607	20%	0.197	S	C	*	.	T	Hydrogen-bonded Turn	trans	-63.6	-26.3	-177.9	-63.5	-178.1	171.9	0	0	114	D317 Y320 Q321 F340	E315-D317 VanDerWaalsContact C-N 3.27Å; E315-D317 PolarHBondContact O-N 3.4Å; E315-Y320 HydrophobicContact CB-CE1 4.17Å; E315-Y320 HydrophobicContact CG-CE1 4.3Å; E315-Y320 WeakPolarHBondContact O-CD1 3.42Å; E315-Q321 PolarHBondContact O-NE2 3.23Å; E315-F340 HydrophobicContact CG-CE2 3.98Å; E315-F340 HydrophobicContact CG-CZ 3.93Å
316	S	94.5	Very high	95.8	Very high	115 Å²	115	34.4 Å²	34.4	80%	0.804	19%	0.185	S	C	*	.	T	Hydrogen-bonded Turn	trans	-84.2	2.4	177.6	67.4	0	0	0	0	113.6	G314 P318	G314-S316 PolarHBondContact O-N 2.95Å; S316-P318 WeakPolarHBondContact O-CD 3.41Å
317	D	95.4	Very high	95.7	Very high	22 Å²	22	34 Å²	34	12%	0.118	18%	0.182	C	C	.	.			trans	-71.3	120.5	178.1	-168.3	-22.5	0	0	0	109.8	F312 K313 G314 E315 A319 Y320 Q321	F312-D317 HydrophobicContact CB-CB 4.32Å; K313-D317 HydrophobicContact CB-CB 4.41Å; K313-D317 WeakPolarHBondContact CB-OD2 3.48Å; K313-D317 PolarHBondContact N-OD2 2.92Å; G314-D317 WeakPolarHBondContact O-CB 3.29Å; G314-D317 PolarHBondContact O-N 3.25Å; G314-D317 VanDerWaalsContact O-N 3.08Å; E315-D317 VanDerWaalsContact C-N 3.27Å; E315-D317 PolarHBondContact O-N 3.4Å; D317-A319 PolarHBondContact O-N 3.44Å; D317-A319 VanDerWaalsContact O-N 3.15Å; D317-A319 WeakPolarHBondContact OD1-CB 3.41Å; D317-A319 PolarHBondContact OD1-N 3.02Å; D317-Y320 WeakPolarHBondContact O-CA 3.42Å; D317-Y320 VanDerWaalsContact O-CB 3.31Å; D317-Y320 WeakPolarHBondContact O-CB 3.29Å; D317-Y320 PolarHBondContact O-N 2.72Å; D317-Q321 PolarHBondContact O-N 2.6Å
318	P	94.7	Very high	95.4	Very high	80 Å²	80	34.5 Å²	34.5	52%	0.519	19%	0.185	S	C	.	.	H	α-helix	trans	-57	-30.5	177.7	-26.2	35.7	0	0	0	113.3	S316 Y320 Q321 Q322	S316-P318 WeakPolarHBondContact O-CD 3.41Å; P318-Y320 VanDerWaalsContact C-N 3.32Å; P318-Q321 PolarHBondContact O-N 2.98Å; P318-Q322 PolarHBondContact O-N 3.24Å; P318-Q322 VanDerWaalsContact O-N 3.11Å
319	A	96.4	Very high	95	Very high	3 Å²	3	38 Å²	38	3%	0.025	20%	0.204	C	C	.	.	H	α-helix	trans	-66.3	-35.2	175.1	0	0	0	0	0	112.3	F312 D317 Y323 V376	F312-A319 HydrophobicContact CD1-CB 3.77Å; F312-A319 HydrophobicContact CE1-CB 3.75Å; D317-A319 PolarHBondContact O-N 3.44Å; D317-A319 VanDerWaalsContact O-N 3.15Å; D317-A319 WeakPolarHBondContact OD1-CB 3.41Å; D317-A319 PolarHBondContact OD1-N 3.02Å; A319-Y323 WeakPolarHBondContact O-CB 3.49Å; A319-Y323 PolarHBondContact O-N 2.95Å; A319-V376 HydrophobicContact CB-CB 4.37Å; A319-V376 HydrophobicContact CB-CG1 4.06Å; A319-V376 WeakPolarHBondContact CB-O 3.37Å; A319-V376 WeakPolarHBondContact O-CG1 3.42Å
320	Y	96.9	Very high	94.6	Very high	20 Å²	20	38.3 Å²	38.3	8%	0.078	21%	0.206	C	C	.	.	H	α-helix	trans	-67.1	-42.3	175.7	169.4	-113.9	0	0	0	111.2	F312 E315 D317 P318 Q322 Y323 Q324 H338 F340	F312-Y320 AromaticContact CD2-CD2 3.63Å; F312-Y320 HydrophobicContact CD2-CD2 3.63Å; F312-Y320 HydrophobicContact CD2-CG 4.17Å; F312-Y320 HydrophobicContact CE2-CD2 4Å; F312-Y320 HydrophobicContact CG-CD2 4.38Å; E315-Y320 HydrophobicContact CB-CE1 4.17Å; E315-Y320 HydrophobicContact CG-CE1 4.3Å; E315-Y320 WeakPolarHBondContact O-CD1 3.42Å; D317-Y320 WeakPolarHBondContact O-CA 3.42Å; D317-Y320 VanDerWaalsContact O-CB 3.31Å; D317-Y320 WeakPolarHBondContact O-CB 3.29Å; D317-Y320 PolarHBondContact O-N 2.72Å; P318-Y320 VanDerWaalsContact C-N 3.32Å; Y320-Q322 PolarHBondContact O-N 2.63Å; Y320-Y323 WeakPolarHBondContact O-CB 3.36Å; Y320-Y323 PolarHBondContact O-N 2.96Å; Y320-Q324 HydrophobicContact CD2-CG 4.16Å; Y320-Q324 HydrophobicContact CE1-CG 4.23Å; Y320-Q324 HydrophobicContact CE2-CG 3.8Å; Y320-Q324 WeakPolarHBondContact O-CG 3.28Å; Y320-Q324 PolarHBondContact O-N 3.13Å; Y320-Q324 PolarHBondContact OH-NE2 2.85Å; Y320-H338 HydrophobicContact CE2-CB 4.18Å; Y320-H338 AromaticContact CE2-CD2 3.68Å; Y320-H338 AromaticContact CE2-CE1 3.95Å; Y320-H338 AromaticContact CE2-CG 3.66Å; Y320-H338 AromaticContact CE2-ND1 3.83Å; Y320-H338 AromaticContact CE2-NE2 3.88Å; Y320-H338 PolarHBondContact OH-CE1 3.13Å; Y320-F340 HydrophobicContact CD1-CZ 4.44Å; Y320-F340 HydrophobicContact CD2-CE1 4.15Å; Y320-F340 HydrophobicContact CD2-CZ 4.22Å; Y320-F340 HydrophobicContact CE1-CZ 4.2Å; Y320-F340 HydrophobicContact CE2-CE1 4.35Å; Y320-F340 AromaticContact CE2-CZ 3.98Å; Y320-F340 HydrophobicContact CE2-CZ 3.98Å; Y320-F340 HydrophobicContact CG-CE1 4.24Å; Y320-F340 HydrophobicContact CG-CZ 4.41Å; Y320-F340 AromaticContact CZ-CZ 3.93Å
321	Q	92.2	Very high	94.3	Very high	95 Å²	95	40.4 Å²	40.4	44%	0.444	21%	0.213	S	C	.	.	H	α-helix	trans	-61.6	-45.5	176.8	-62.8	-58.8	-30.2	0	0	111.4	E315 D317 P318 Y323 Q324 D325	E315-Q321 PolarHBondContact O-NE2 3.23Å; D317-Q321 PolarHBondContact O-N 2.6Å; P318-Q321 PolarHBondContact O-N 2.98Å; Q321-Y323 VanDerWaalsContact C-N 3.28Å; Q321-Y323 PolarHBondContact O-N 3.44Å; Q321-Q324 PolarHBondContact O-N 3.12Å; Q321-Q324 VanDerWaalsContact O-N 3.12Å; Q321-D325 PolarHBondContact O-N 2.66Å
322	Q	93.3	Very high	93.8	Very high	24 Å²	24	43.6 Å²	43.6	11%	0.112	23%	0.228	C	C	.	.	H	α-helix	trans	-60.7	-37.5	174.9	-166.4	64.6	40.8	0	0	112.8	P318 Y320 D325 A326 V376 T380 D382 I385	P318-Q322 PolarHBondContact O-N 3.24Å; P318-Q322 VanDerWaalsContact O-N 3.11Å; Y320-Q322 PolarHBondContact O-N 2.63Å; Q322-D325 PolarHBondContact O-N 3.37Å; Q322-A326 PolarHBondContact O-N 3.36Å; Q322-A326 VanDerWaalsContact O-N 3.08Å; Q322-V376 HydrophobicContact CB-CG1 4.5Å; Q322-T380 WeakPolarHBondContact CG-O 3.48Å; Q322-T380 PolarHBondContact NE2-O 3.39Å; Q322-D382 VanDerWaalsContact NE2-CG 3.32Å; Q322-D382 PolarHBondContact NE2-OD1 3.33Å; Q322-I385 HydrophobicContact CG-CD1 4.19Å
323	Y	96.1	Very high	93.5	Very high	0 Å²	0	46.8 Å²	46.8	0%	0	25%	0.245	C	C	.	.	H	α-helix	trans	-65.8	-39.4	174.6	176.3	-101.2	0	0	0	112.8	I308 F312 A319 Y320 Q321 A326 A327 F336 H337 H338 L355	I308-Y323 HydrophobicContact CG2-CE2 4.45Å; F312-Y323 AromaticContact CE2-CD1 3.66Å; F312-Y323 HydrophobicContact CE2-CD1 3.66Å; F312-Y323 HydrophobicContact CE2-CD2 4.42Å; F312-Y323 HydrophobicContact CE2-CE1 4.33Å; F312-Y323 AromaticContact CE2-CG 3.69Å; F312-Y323 HydrophobicContact CE2-CG 3.69Å; F312-Y323 VanDerWaalsContact CZ-CB 3.42Å; F312-Y323 HydrophobicContact CZ-CD1 4.11Å; F312-Y323 HydrophobicContact CZ-CD2 4.13Å; F312-Y323 AromaticContact CZ-CG 3.62Å; F312-Y323 HydrophobicContact CZ-CG 3.62Å; A319-Y323 WeakPolarHBondContact O-CB 3.49Å; A319-Y323 PolarHBondContact O-N 2.95Å; Y320-Y323 WeakPolarHBondContact O-CB 3.36Å; Y320-Y323 PolarHBondContact O-N 2.96Å; Q321-Y323 VanDerWaalsContact C-N 3.28Å; Q321-Y323 PolarHBondContact O-N 3.44Å; Y323-A326 PolarHBondContact O-N 3.47Å; Y323-A327 VanDerWaalsContact O-CB 3.28Å; Y323-A327 WeakPolarHBondContact O-CB 3.47Å; Y323-A327 PolarHBondContact O-N 3.03Å; Y323-F336 HydrophobicContact CE1-CB 4.46Å; Y323-F336 HydrophobicContact CE1-CD1 4.3Å; Y323-F336 AromaticContact CE2-CD1 3.66Å; Y323-F336 HydrophobicContact CE2-CD1 3.66Å; Y323-F336 HydrophobicContact CE2-CE1 4.12Å; Y323-F336 AromaticContact CZ-CD1 3.51Å; Y323-F336 VanDerWaalsContact OH-CD1 3.24Å; Y323-F336 WeakPolarHBondContact OH-CD1 3.36Å; Y323-H337 PolarHBondContact OH-N 3.18Å; Y323-H337 PolarHBondContact OH-O 2.8Å; Y323-H338 HydrophobicContact CE1-CB 4.19Å; Y323-L355 HydrophobicContact CD2-CD1 4.29Å; Y323-L355 HydrophobicContact CE2-CD1 3.54Å; Y323-L355 HydrophobicContact CE2-CD2 4.46Å; Y323-L355 HydrophobicContact CE2-CG 4.5Å
324	Q	93.8	Very high	93.4	Very high	13 Å²	13	40.1 Å²	40.1	6%	0.061	22%	0.216	C	C	.	.	H	α-helix	trans	-65.4	-40	175.7	-66	-68.7	27.7	0	0	111.7	P286 S287 Y320 Q321 A327 N328	P286-Q324 HydrophobicContact CG-CB 4.12Å; P286-Q324 VanDerWaalsContact CG-O 3.23Å; P286-Q324 WeakPolarHBondContact CG-O 3.47Å; P286-Q324 VanDerWaalsContact CG-OE1 3.26Å; S287-Q324 PolarHBondContact OG-NE2 3.45Å; S287-Q324 PolarHBondContact OG-OE1 3.39Å; Y320-Q324 HydrophobicContact CD2-CG 4.16Å; Y320-Q324 HydrophobicContact CE1-CG 4.23Å; Y320-Q324 HydrophobicContact CE2-CG 3.8Å; Y320-Q324 WeakPolarHBondContact O-CG 3.28Å; Y320-Q324 PolarHBondContact O-N 3.13Å; Y320-Q324 PolarHBondContact OH-NE2 2.85Å; Q321-Q324 PolarHBondContact O-N 3.12Å; Q321-Q324 VanDerWaalsContact O-N 3.12Å; Q324-A327 PolarHBondContact O-N 2.9Å; Q324-N328 PolarHBondContact O-N 3.16Å; Q324-N328 PolarHBondContact O-ND2 3.18Å
325	D	90.2	Very high	93.3	Very high	32 Å²	32	46.6 Å²	46.6	17%	0.171	24%	0.24	C	C	.	.	H	α-helix	trans	-61.7	-46.5	175.6	-71.3	-17.4	0	0	0	111.8	R262 Q321 Q322 A327 N328 N329 D382	R262-D325 IonicContact CZ-OD2 2.77Å; R262-D325 VanDerWaalsContact NH1-CG 3.31Å; R262-D325 IonicContact NH1-OD2 3.53Å; R262-D325 PolarHBondContact NH1-OD2 2.89Å; R262-D325 IonicContact NH2-OD2 2.83Å; R262-D325 PolarHBondContact NH2-OD2 3.14Å; Q321-D325 PolarHBondContact O-N 2.66Å; Q322-D325 PolarHBondContact O-N 3.37Å; D325-A327 PolarHBondContact O-N 3.33Å; D325-N328 WeakPolarHBondContact O-CB 3.45Å; D325-N328 PolarHBondContact O-N 3.32Å; D325-N329 PolarHBondContact O-ND2 3.38Å; D325-N329 VanDerWaalsContact O-ND2 3.14Å; D325-D382 WeakPolarHBondContact CB-OD1 3.45Å
326	A	92.6	Very high	93.5	Very high	1 Å²	1	40.5 Å²	40.5	1%	0.008	21%	0.211	C	C	.	.	H	α-helix	trans	-64.1	-39.3	174.4	0	0	0	0	0	112.6	Q322 Y323 N328 N329 D382 I385	Q322-A326 PolarHBondContact O-N 3.36Å; Q322-A326 VanDerWaalsContact O-N 3.08Å; Y323-A326 PolarHBondContact O-N 3.47Å; A326-N328 VanDerWaalsContact C-N 3.3Å; A326-N328 PolarHBondContact O-N 2.79Å; A326-N329 WeakPolarHBondContact O-CB 3.22Å; A326-N329 PolarHBondContact O-N 3.36Å; A326-N329 VanDerWaalsContact O-N 3.15Å; A326-D382 HydrophobicContact CB-CB 4.39Å; A326-D382 PolarHBondContact N-OD1 2.96Å; A326-I385 HydrophobicContact CB-CB 3.6Å; A326-I385 HydrophobicContact CB-CD1 3.64Å; A326-I385 HydrophobicContact CB-CG1 4.2Å; A326-I385 HydrophobicContact CB-CG2 3.51Å
327	A	95.3	Very high	93.7	Very high	0 Å²	0	36.1 Å²	36.1	0%	0	18%	0.178	C	C	.	.	H	α-helix	trans	-62.7	-35.8	175.8	0	0	0	0	0	111.8	P286 Y323 Q324 D325 N329 L330 R331 F336	P286-A327 HydrophobicContact CB-CB 3.78Å; P286-A327 HydrophobicContact CG-CB 4.08Å; Y323-A327 VanDerWaalsContact O-CB 3.28Å; Y323-A327 WeakPolarHBondContact O-CB 3.47Å; Y323-A327 PolarHBondContact O-N 3.03Å; Q324-A327 PolarHBondContact O-N 2.9Å; D325-A327 PolarHBondContact O-N 3.33Å; A327-N329 PolarHBondContact O-N 3.17Å; A327-L330 CarbonylContact O-C 3.52Å; A327-L330 PolarHBondContact O-N 2.95Å; A327-R331 WeakPolarHBondContact O-CB 3.32Å; A327-R331 PolarHBondContact O-N 3.13Å; A327-F336 HydrophobicContact CB-CB 3.83Å; A327-F336 HydrophobicContact CB-CD1 3.52Å; A327-F336 HydrophobicContact CB-CD2 3.96Å; A327-F336 HydrophobicContact CB-CE1 4.11Å; A327-F336 HydrophobicContact CB-CE2 4.45Å; A327-F336 HydrophobicContact CB-CG 3.49Å; A327-F336 VanDerWaalsContact CB-CG 3.49Å
328	N	92.3	Very high	93.8	Very high	19 Å²	19	35.4 Å²	35.4	10%	0.102	17%	0.174	C	C	.	.	H	α-helix	trans	-59.1	-33.4	174.4	-81.4	-47.3	0	0	0	113	R259 Y264 P286 Q324 D325 A326 L330 R331	R259-N328 WeakPolarHBondContact CD-ND2 3.44Å; R259-N328 PolarHBondContact NE-OD1 3.38Å; R259-N328 VanDerWaalsContact NE-OD1 3.16Å; Y264-N328 HydrophobicContact CD1-CB 4.4Å; Y264-N328 HydrophobicContact CE1-CB 3.59Å; Y264-N328 HydrophobicContact CE2-CB 4.47Å; P286-N328 HydrophobicContact CB-CB 4.47Å; P286-N328 VanDerWaalsContact CB-OD1 3.28Å; P286-N328 WeakPolarHBondContact CB-OD1 3.32Å; P286-N328 WeakPolarHBondContact CG-OD1 3.5Å; Q324-N328 PolarHBondContact O-N 3.16Å; Q324-N328 PolarHBondContact O-ND2 3.18Å; D325-N328 WeakPolarHBondContact O-CB 3.45Å; D325-N328 PolarHBondContact O-N 3.32Å; A326-N328 VanDerWaalsContact C-N 3.3Å; A326-N328 PolarHBondContact O-N 2.79Å; N328-L330 PolarHBondContact O-N 2.75Å; N328-R331 PolarHBondContact OD1-NH1 2.95Å; N328-R331 VanDerWaalsContact OD1-NH1 3.13Å
329	N	89.6	Confident	94	Very high	74 Å²	74	31.6 Å²	31.6	40%	0.396	15%	0.149	S	C	.	.	T	Hydrogen-bonded Turn	trans	-71.9	-17.2	177.1	-70.2	-66.7	0	0	0	113.8	Y264 D325 A326 A327	Y264-N329 HydrophobicContact CE1-CB 4.42Å; Y264-N329 VanDerWaalsContact CE1-OD1 3.22Å; Y264-N329 WeakPolarHBondContact CE1-OD1 3.45Å; D325-N329 PolarHBondContact O-ND2 3.38Å; D325-N329 VanDerWaalsContact O-ND2 3.14Å; A326-N329 WeakPolarHBondContact O-CB 3.22Å; A326-N329 PolarHBondContact O-N 3.36Å; A326-N329 VanDerWaalsContact O-N 3.15Å; A327-N329 PolarHBondContact O-N 3.17Å
330	L	91.8	Very high	94.1	Very high	6 Å²	6	33.3 Å²	33.3	3%	0.031	16%	0.156	C	C	.	.	T	Hydrogen-bonded Turn	trans	-128.1	-2	-168.7	-71.9	-180	0	0	0	113.8	A327 N328 E332 D333 Y334 F336 K386 V389	A327-L330 CarbonylContact O-C 3.52Å; A327-L330 PolarHBondContact O-N 2.95Å; N328-L330 PolarHBondContact O-N 2.75Å; L330-E332 PolarHBondContact O-N 3.22Å; L330-D333 PolarHBondContact O-N 2.9Å; L330-Y334 HydrophobicContact CB-CD2 4.13Å; L330-Y334 HydrophobicContact CD2-CD2 4.23Å; L330-Y334 HydrophobicContact CD2-CE2 4.29Å; L330-Y334 PolarHBondContact O-N 3.31Å; L330-F336 HydrophobicContact CB-CE2 3.42Å; L330-F336 VanDerWaalsContact CB-CE2 3.42Å; L330-F336 HydrophobicContact CB-CZ 3.66Å; L330-F336 HydrophobicContact CD1-CE2 4.29Å; L330-F336 HydrophobicContact CD1-CZ 3.68Å; L330-F336 HydrophobicContact CG-CZ 4.32Å; L330-K386 HydrophobicContact CD1-CB 4.04Å; L330-K386 HydrophobicContact CD1-CG 4.06Å; L330-K386 HydrophobicContact CD2-CD 4.4Å; L330-K386 HydrophobicContact CD2-CG 4.17Å; L330-K386 HydrophobicContact CG-CG 4.38Å; L330-V389 HydrophobicContact CD1-CB 4.25Å; L330-V389 HydrophobicContact CD1-CG1 4.25Å
331	R	92	Very high	94.1	Very high	43 Å²	43	33.9 Å²	33.9	16%	0.162	16%	0.163	C	C	.	.	T	Hydrogen-bonded Turn	trans	-62.1	-23.1	-174.6	63.9	-172.5	-68.5	163.7	-0.6	114.8	E281 Q282 G284 P286 A327 N328 D333	E281-R331 PolarHBondContact O-NH2 3.05Å; Q282-R331 PolarHBondContact O-NH1 3.06Å; Q282-R331 VanDerWaalsContact O-NH1 3.09Å; Q282-R331 VanDerWaalsContact OE1-CD 3.32Å; G284-R331 PolarHBondContact O-NH1 3.15Å; G284-R331 PolarHBondContact O-NH2 2.65Å; G284-R331 VanDerWaalsContact O-NH2 3.17Å; P286-R331 HydrophobicContact CB-CB 4.49Å; A327-R331 WeakPolarHBondContact O-CB 3.32Å; A327-R331 PolarHBondContact O-N 3.13Å; N328-R331 PolarHBondContact OD1-NH1 2.95Å; N328-R331 VanDerWaalsContact OD1-NH1 3.13Å; R331-D333 VanDerWaalsContact C-N 3.31Å
332	E	88.2	Confident	94.3	Very high	67 Å²	67	33.3 Å²	33.3	31%	0.313	17%	0.166	S	C	.	.	T	Hydrogen-bonded Turn	trans	-74.1	-26.5	175.2	-64.8	-178.3	-170	0	0	112.3	N267 Y278 L330 K407	N267-E332 WeakPolarHBondContact CB-OE2 3.47Å; N267-E332 PolarHBondContact ND2-OE2 3.16Å; Y278-E332 PolarHBondContact OH-OE1 3.5Å; L330-E332 PolarHBondContact O-N 3.22Å; E332-K407 PolarHBondContact O-NZ 2.94Å
333	D	90.5	Very high	94.5	Very high	67 Å²	67	37.7 Å²	37.7	36%	0.358	19%	0.186	S	C	.	.	T	Hydrogen-bonded Turn	trans	-105.4	-29.1	-176.8	-70.3	-37.3	0	0	0	112.8	L330 R331 K407 R408	L330-D333 PolarHBondContact O-N 2.9Å; R331-D333 VanDerWaalsContact C-N 3.31Å; D333-K407 WeakPolarHBondContact OD1-CD 3.49Å; D333-K407 WeakPolarHBondContact OD1-CE 3.29Å; D333-K407 IonicContact OD1-NZ 2.91Å; D333-R408 PolarHBondContact O-NH1 2.83Å; D333-R408 PolarHBondContact O-NH2 3.24Å
334	Y	94.3	Very high	94.6	Very high	16 Å²	16	37.7 Å²	37.7	6%	0.063	19%	0.186	C	C	.	.			trans	-136.8	146.6	-171.1	-61.1	-81.6	0	0	0	112.8	V306 I308 L330 F336 V389 L390 A393	V306-Y334 HydrophobicContact CG1-CD1 3.61Å; V306-Y334 HydrophobicContact CG1-CE1 3.87Å; I308-Y334 HydrophobicContact CD1-CD1 4.07Å; I308-Y334 HydrophobicContact CD1-CG 4.11Å; L330-Y334 HydrophobicContact CB-CD2 4.13Å; L330-Y334 HydrophobicContact CD2-CD2 4.23Å; L330-Y334 HydrophobicContact CD2-CE2 4.29Å; L330-Y334 PolarHBondContact O-N 3.31Å; Y334-F336 PolarHBondContact O-N 2.9Å; Y334-V389 HydrophobicContact CD1-CG1 4.42Å; Y334-V389 HydrophobicContact CD2-CG1 4.38Å; Y334-V389 HydrophobicContact CE1-CG1 4.49Å; Y334-V389 HydrophobicContact CE2-CG1 4.46Å; Y334-V389 HydrophobicContact CG-CG1 4.35Å; Y334-L390 HydrophobicContact CE2-CD2 3.77Å; Y334-L390 WeakPolarHBondContact OH-CD2 3.41Å; Y334-A393 HydrophobicContact CE1-CB 3.62Å
335	K	95.3	Very high	94.8	Very high	151 Å²	151	37.4 Å²	37.4	66%	0.657	19%	0.186	S	C	*	.			trans	-92.4	102	175.3	-65.3	176.7	-175	168.7	0	110.2	H337	K335-H337 PolarHBondContact O-ND1 2.81Å
336	F	97.8	Very high	95.2	Very high	3 Å²	3	43.5 Å²	43.5	1%	0.013	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.1	141.3	175.1	-73	-109.5	0	0	0	110.6	S287 K288 I308 Y323 A327 L330 Y334 V389	S287-F336 CarbonylContact C-O 3.34Å; S287-F336 WeakPolarHBondContact CA-O 3.45Å; S287-F336 WeakPolarHBondContact CB-O 3.48Å; K288-F336 PolarHBondContact N-O 2.81Å; I308-F336 HydrophobicContact CD1-CE2 4.3Å; I308-F336 HydrophobicContact CD1-CZ 4.19Å; I308-F336 HydrophobicContact CG2-CD1 3.85Å; I308-F336 HydrophobicContact CG2-CE1 3.88Å; I308-F336 HydrophobicContact CG2-CG 4.46Å; Y323-F336 HydrophobicContact CE1-CB 4.46Å; Y323-F336 HydrophobicContact CE1-CD1 4.3Å; Y323-F336 AromaticContact CE2-CD1 3.66Å; Y323-F336 HydrophobicContact CE2-CD1 3.66Å; Y323-F336 HydrophobicContact CE2-CE1 4.12Å; Y323-F336 AromaticContact CZ-CD1 3.51Å; Y323-F336 VanDerWaalsContact OH-CD1 3.24Å; Y323-F336 WeakPolarHBondContact OH-CD1 3.36Å; A327-F336 HydrophobicContact CB-CB 3.83Å; A327-F336 HydrophobicContact CB-CD1 3.52Å; A327-F336 HydrophobicContact CB-CD2 3.96Å; A327-F336 HydrophobicContact CB-CE1 4.11Å; A327-F336 HydrophobicContact CB-CE2 4.45Å; A327-F336 HydrophobicContact CB-CG 3.49Å; A327-F336 VanDerWaalsContact CB-CG 3.49Å; L330-F336 HydrophobicContact CB-CE2 3.42Å; L330-F336 VanDerWaalsContact CB-CE2 3.42Å; L330-F336 HydrophobicContact CB-CZ 3.66Å; L330-F336 HydrophobicContact CD1-CE2 4.29Å; L330-F336 HydrophobicContact CD1-CZ 3.68Å; L330-F336 HydrophobicContact CG-CZ 4.32Å; Y334-F336 PolarHBondContact O-N 2.9Å; F336-V389 HydrophobicContact CE1-CG2 4.15Å; F336-V389 HydrophobicContact CZ-CG1 4.42Å; F336-V389 HydrophobicContact CZ-CG2 4.16Å
337	H	98.5	Very high	95.4	Very high	23 Å²	23	47.2 Å²	47.2	11%	0.106	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.4	156.5	174.6	-58.6	82.9	0	0	0	110.1	K288 I290 F299 I308 I309 G310 Y323 K335	K288-H337 CarbonylContact O-C 3.44Å; K288-H337 WeakPolarHBondContact O-CA 3.42Å; I290-H337 HydrophobicContact CD1-CB 3.64Å; I290-H337 HydrophobicContact CG1-CB 3.83Å; F299-H337 AromaticContact CE2-CD2 3.63Å; F299-H337 AromaticContact CE2-NE2 3.73Å; F299-H337 AromaticContact CZ-CD2 3.61Å; F299-H337 AromaticContact CZ-NE2 3.37Å; F299-H337 WeakPolarHBondContact CZ-NE2 3.41Å; I308-H337 WeakPolarHBondContact O-CB 3.47Å; I308-H337 PolarHBondContact O-N 3.36Å; I309-H337 CarbonylContact C-O 3.58Å; I309-H337 VanDerWaalsContact CA-O 3.29Å; I309-H337 WeakPolarHBondContact CA-O 3.4Å; I309-H337 HydrophobicContact CG1-CB 4.28Å; G310-H337 PolarHBondContact N-O 3.17Å; Y323-H337 PolarHBondContact OH-N 3.18Å; Y323-H337 PolarHBondContact OH-O 2.8Å; K335-H337 PolarHBondContact O-ND1 2.81Å
338	H	98.5	Very high	95.5	Very high	6 Å²	6	47.9 Å²	47.9	3%	0.028	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.6	165.8	173.2	66.5	-90.9	0	0	0	111.3	S287 K288 E289 I290 G310 F312 Y320 Y323 F340	S287-H338 PolarHBondContact OG-ND1 2.83Å; K288-H338 PolarHBondContact O-N 3.39Å; E289-H338 CarbonylContact C-O 3.39Å; E289-H338 WeakPolarHBondContact CA-O 3.38Å; E289-H338 WeakPolarHBondContact CB-NE2 3.38Å; E289-H338 PolarHBondContact N-CE1 3.13Å; I290-H338 PolarHBondContact N-O 3.2Å; G310-H338 CarbonylContact O-C 3.57Å; G310-H338 WeakPolarHBondContact O-CA 3.29Å; F312-H338 HydrophobicContact CD2-CB 4.44Å; Y320-H338 HydrophobicContact CE2-CB 4.18Å; Y320-H338 AromaticContact CE2-CD2 3.68Å; Y320-H338 AromaticContact CE2-CE1 3.95Å; Y320-H338 AromaticContact CE2-CG 3.66Å; Y320-H338 AromaticContact CE2-ND1 3.83Å; Y320-H338 AromaticContact CE2-NE2 3.88Å; Y320-H338 PolarHBondContact OH-CE1 3.13Å; Y323-H338 HydrophobicContact CE1-CB 4.19Å; H338-F340 AromaticContact CD2-CE2 3.8Å; H338-F340 AromaticContact CD2-CZ 3.62Å; H338-F340 AromaticContact NE2-CE2 3.84Å; H338-F340 AromaticContact NE2-CZ 3.88Å
339	T	98.5	Very high	95.7	Very high	1 Å²	1	55.5 Å²	55.5	1%	0.006	26%	0.263	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-151	150	170.2	-170.6	0	0	0	0	111.3	I290 I309 G310 V311 F312 S341 I344	I290-T339 WeakPolarHBondContact O-CB 2.9Å; I290-T339 PolarHBondContact O-OG1 3.48Å; I309-T339 HydrophobicContact CG2-CG2 4.26Å; G310-T339 PolarHBondContact O-N 3.4Å; V311-T339 WeakPolarHBondContact CA-O 3.32Å; V311-T339 HydrophobicContact CB-CG2 4.42Å; V311-T339 HydrophobicContact CG1-CG2 4.26Å; V311-T339 HydrophobicContact CG2-CG2 3.91Å; F312-T339 PolarHBondContact N-O 3.2Å; T339-S341 WeakPolarHBondContact OG1-CB 3.46Å; T339-S341 PolarHBondContact OG1-N 2.74Å; T339-S341 VanDerWaalsContact OG1-N 3.09Å; T339-I344 HydrophobicContact CG2-CB 4.1Å; T339-I344 HydrophobicContact CG2-CG2 3.79Å
340	F	98	Very high	96.1	Very high	39 Å²	39	52.6 Å²	52.6	17%	0.171	25%	0.248	C	C	.	.			trans	-104.8	0.8	169.3	-48.9	-58.4	0	0	0	112.2	E289 F312 G314 E315 Y320 H338 T342	E289-F340 WeakPolarHBondContact OE1-CD2 3.22Å; F312-F340 HydrophobicContact CB-CD1 3.99Å; F312-F340 HydrophobicContact CB-CE1 3.93Å; F312-F340 WeakPolarHBondContact O-CA 3.49Å; G314-F340 VanDerWaalsContact CA-CE1 3.45Å; G314-F340 VanDerWaalsContact N-CD1 3.28Å; G314-F340 WeakPolarHBondContact O-CE1 3.28Å; E315-F340 HydrophobicContact CG-CE2 3.98Å; E315-F340 HydrophobicContact CG-CZ 3.93Å; Y320-F340 HydrophobicContact CD1-CZ 4.44Å; Y320-F340 HydrophobicContact CD2-CE1 4.15Å; Y320-F340 HydrophobicContact CD2-CZ 4.22Å; Y320-F340 HydrophobicContact CE1-CZ 4.2Å; Y320-F340 HydrophobicContact CE2-CE1 4.35Å; Y320-F340 AromaticContact CE2-CZ 3.98Å; Y320-F340 HydrophobicContact CE2-CZ 3.98Å; Y320-F340 HydrophobicContact CG-CE1 4.24Å; Y320-F340 HydrophobicContact CG-CZ 4.41Å; Y320-F340 AromaticContact CZ-CZ 3.93Å; H338-F340 AromaticContact CD2-CE2 3.8Å; H338-F340 AromaticContact CD2-CZ 3.62Å; H338-F340 AromaticContact NE2-CE2 3.84Å; H338-F340 AromaticContact NE2-CZ 3.88Å; F340-T342 PolarHBondContact O-N 2.81Å
341	S	97.8	Very high	96.3	Very high	31 Å²	31	56.1 Å²	56.1	22%	0.217	27%	0.273	C	S	.	.			trans	-75.8	120.7	-175.5	177.3	0	0	0	0	112.4	T339 E343 I344 A345	T339-S341 WeakPolarHBondContact OG1-CB 3.46Å; T339-S341 PolarHBondContact OG1-N 2.74Å; T339-S341 VanDerWaalsContact OG1-N 3.09Å; S341-E343 PolarHBondContact O-N 3.1Å; S341-E343 PolarHBondContact OG-N 2.94Å; S341-I344 PolarHBondContact O-N 2.82Å; S341-I344 PolarHBondContact OG-N 3.32Å; S341-A345 PolarHBondContact O-N 2.86Å
342	T	96.5	Very high	96.5	Very high	83 Å²	83	57.5 Å²	57.5	51%	0.509	28%	0.281	S	S	.	.	H	α-helix	trans	-68.1	-23.3	173	62.1	0	0	0	0	113.1	F340 K346	F340-T342 PolarHBondContact O-N 2.81Å; T342-K346 VanDerWaalsContact O-CG 3.26Å; T342-K346 WeakPolarHBondContact O-CG 3.34Å; T342-K346 PolarHBondContact O-N 2.8Å; T342-K346 VanDerWaalsContact O-N 3.07Å
343	E	97.9	Very high	96.9	Very high	116 Å²	116	55 Å²	55	54%	0.542	27%	0.273	S	S	.	.	H	α-helix	trans	-67.7	-46.8	173	-175.6	-171.7	169.1	0	0	110.6	L293 S341 A345 K346 F347	L293-E343 HydrophobicContact CD1-CG 4.24Å; S341-E343 PolarHBondContact O-N 3.1Å; S341-E343 PolarHBondContact OG-N 2.94Å; E343-A345 VanDerWaalsContact C-N 3.34Å; E343-K346 PolarHBondContact O-N 2.77Å; E343-F347 PolarHBondContact O-N 3.26Å
344	I	98.1	Very high	97.3	Very high	0 Å²	0	53.1 Å²	53.1	0%	0	26%	0.263	C	S	.	.	H	α-helix	trans	-64.4	-42.2	176.7	-64.3	176.2	0	0	0	110.3	I290 L293 V296 T339 S341 K346 F347 L348	I290-I344 HydrophobicContact CB-CD1 4.36Å; I290-I344 HydrophobicContact CG2-CD1 3.74Å; L293-I344 HydrophobicContact CB-CG1 4.46Å; V296-I344 HydrophobicContact CG2-CD1 4.27Å; V296-I344 HydrophobicContact CG2-CG1 4.47Å; V296-I344 HydrophobicContact CG2-CG2 3.79Å; T339-I344 HydrophobicContact CG2-CB 4.1Å; T339-I344 HydrophobicContact CG2-CG2 3.79Å; S341-I344 PolarHBondContact O-N 2.82Å; S341-I344 PolarHBondContact OG-N 3.32Å; I344-K346 VanDerWaalsContact C-N 3.32Å; I344-K346 PolarHBondContact O-N 3.27Å; I344-F347 PolarHBondContact O-N 2.83Å; I344-L348 HydrophobicContact CG2-CD1 3.63Å; I344-L348 HydrophobicContact CG2-CG 4.13Å; I344-L348 WeakPolarHBondContact O-CB 3.27Å; I344-L348 WeakPolarHBondContact O-CG 3.36Å; I344-L348 PolarHBondContact O-N 2.92Å
345	A	97.8	Very high	97.5	Very high	7 Å²	7	52.4 Å²	52.4	6%	0.058	26%	0.26	C	S	.	.	H	α-helix	trans	-55.3	-46.1	174.7	0	0	0	0	0	112.2	V311 S341 E343 L348 K349 V350	V311-A345 HydrophobicContact CG1-CB 3.7Å; S341-A345 PolarHBondContact O-N 2.86Å; E343-A345 VanDerWaalsContact C-N 3.34Å; A345-L348 PolarHBondContact O-N 3.38Å; A345-K349 PolarHBondContact O-N 2.79Å; A345-V350 HydrophobicContact CB-CG2 4.31Å; A345-V350 PolarHBondContact O-N 2.89Å
346	K	97.6	Very high	97.6	Very high	160 Å²	160	45.2 Å²	45.2	70%	0.696	23%	0.228	S	C	*	.	H	α-helix	trans	-63.6	-42.8	176.1	-74	169.8	-175.5	174.6	0	112.5	T342 E343 I344 K349	T342-K346 VanDerWaalsContact O-CG 3.26Å; T342-K346 WeakPolarHBondContact O-CG 3.34Å; T342-K346 PolarHBondContact O-N 2.8Å; T342-K346 VanDerWaalsContact O-N 3.07Å; E343-K346 PolarHBondContact O-N 2.77Å; I344-K346 VanDerWaalsContact C-N 3.32Å; I344-K346 PolarHBondContact O-N 3.27Å; K346-K349 PolarHBondContact O-N 3.01Å; K346-K349 VanDerWaalsContact O-N 3.17Å
347	F	97.5	Very high	97.7	Very high	80 Å²	80	45 Å²	45	35%	0.351	23%	0.228	S	C	.	.	H	α-helix	trans	-62	-45.2	177.7	175	-99.3	0	0	0	111.9	L293 V296 Q297 L300 E343 I344 K349	L293-F347 HydrophobicContact CD1-CB 3.61Å; L293-F347 HydrophobicContact CD1-CD1 4.46Å; L293-F347 HydrophobicContact CD1-CD2 3.78Å; L293-F347 HydrophobicContact CD1-CG 3.69Å; L293-F347 HydrophobicContact CG-CB 4.46Å; L293-F347 HydrophobicContact CG-CD2 4.32Å; L293-F347 HydrophobicContact CG-CG 4.18Å; V296-F347 HydrophobicContact CG1-CD1 4.16Å; V296-F347 HydrophobicContact CG1-CE1 3.9Å; Q297-F347 HydrophobicContact CG-CZ 4.23Å; L300-F347 HydrophobicContact CD1-CE1 3.94Å; L300-F347 HydrophobicContact CD1-CZ 4.22Å; E343-F347 PolarHBondContact O-N 3.26Å; I344-F347 PolarHBondContact O-N 2.83Å; F347-K349 PolarHBondContact O-N 2.95Å
348	L	97.2	Very high	97.6	Very high	14 Å²	14	44.6 Å²	44.6	7%	0.073	23%	0.226	C	C	.	.	H	α-helix	trans	-74.3	-9	176.6	-65.9	177.4	0	0	0	113.2	V296 I309 V311 I344 A345 V350 V356 M358	V296-L348 HydrophobicContact CG1-CD2 3.79Å; V296-L348 HydrophobicContact CG1-CG 4.47Å; I309-L348 HydrophobicContact CD1-CD1 4.11Å; I309-L348 HydrophobicContact CG2-CD1 4.37Å; V311-L348 HydrophobicContact CG2-CD1 4.45Å; I344-L348 HydrophobicContact CG2-CD1 3.63Å; I344-L348 HydrophobicContact CG2-CG 4.13Å; I344-L348 WeakPolarHBondContact O-CB 3.27Å; I344-L348 WeakPolarHBondContact O-CG 3.36Å; I344-L348 PolarHBondContact O-N 2.92Å; A345-L348 PolarHBondContact O-N 3.38Å; L348-V350 VanDerWaalsContact C-N 3.26Å; L348-V350 HydrophobicContact CB-CG1 4.2Å; L348-V350 HydrophobicContact CB-CG2 3.91Å; L348-V350 PolarHBondContact O-N 3.07Å; L348-V356 HydrophobicContact CD1-CG1 4.04Å; L348-M358 HydrophobicContact CD2-CE 3.61Å; L348-M358 HydrophobicContact CD2-SD 3.9Å
349	K	97	Very high	97.6	Very high	179 Å²	179	45 Å²	45	78%	0.778	23%	0.228	S	C	*	.	T	Hydrogen-bonded Turn	trans	58	36.5	-176.6	-53.9	178.3	-177.6	177.6	0	113	A345 K346 F347 M373	A345-K349 PolarHBondContact O-N 2.79Å; K346-K349 PolarHBondContact O-N 3.01Å; K346-K349 VanDerWaalsContact O-N 3.17Å; F347-K349 PolarHBondContact O-N 2.95Å; K349-M373 WeakPolarHBondContact O-CE 3.16Å
350	V	96.9	Very high	97.5	Very high	12 Å²	12	44.9 Å²	44.9	7%	0.073	23%	0.227	C	C	.	.			trans	-114	158.4	178.7	-59.3	0	0	0	0	110.4	V311 A345 L348 Q354 V356 M373	V311-V350 HydrophobicContact CB-CG2 4.06Å; V311-V350 HydrophobicContact CG1-CG2 4.19Å; V311-V350 HydrophobicContact CG2-CG2 3.62Å; A345-V350 HydrophobicContact CB-CG2 4.31Å; A345-V350 PolarHBondContact O-N 2.89Å; L348-V350 VanDerWaalsContact C-N 3.26Å; L348-V350 HydrophobicContact CB-CG1 4.2Å; L348-V350 HydrophobicContact CB-CG2 3.91Å; L348-V350 PolarHBondContact O-N 3.07Å; V350-Q354 HydrophobicContact CB-CB 4.46Å; V350-V356 HydrophobicContact CG1-CB 4.07Å; V350-V356 HydrophobicContact CG1-CG1 4.46Å; V350-V356 HydrophobicContact CG1-CG2 4.31Å; V350-M373 HydrophobicContact CB-CE 3.82Å; V350-M373 HydrophobicContact CG1-CE 3.28Å; V350-M373 HydrophobicContact CG1-CG 3.95Å; V350-M373 HydrophobicContact CG1-SD 4.08Å
351	S	96.4	Very high	97.5	Very high	80 Å²	80	48.3 Å²	48.3	56%	0.559	24%	0.244	S	C	*	.			trans	-93.5	159.8	168.3	-61.3	0	0	0	0	110.6	Q354	S351-Q354 WeakPolarHBondContact O-CB 3.29Å; S351-Q354 WeakPolarHBondContact O-CG 3.45Å; S351-Q354 PolarHBondContact O-N 2.72Å
352	Q	96.4	Very high	97.3	Very high	72 Å²	72	49 Å²	49	34%	0.336	24%	0.243	S	C	.	.	T	Hydrogen-bonded Turn	trans	-64.4	143.8	168	-69.2	175.6	-43.4	0	0	110.2	V311 F312 K313	V311-Q352 HydrophobicContact CG1-CG 4.23Å; V311-Q352 CarbonylContact O-C 3.56Å; V311-Q352 WeakPolarHBondContact O-CA 3.39Å; F312-Q352 PolarHBondContact O-NE2 3.04Å; F312-Q352 VanDerWaalsContact O-NE2 3.12Å; K313-Q352 HydrophobicContact CG-CB 4.1Å
353	G	97.3	Very high	97.4	Very high	14 Å²	14	45.5 Å²	45.5	14%	0.144	22%	0.221	C	C	.	.	T	Hydrogen-bonded Turn	trans	87.4	20.2	-168.6	0	0	0	0	0	113.3	V311 V376	V311-G353 PolarHBondContact O-N 2.93Å; G353-V376 PolarHBondContact O-N 2.83Å
354	Q	98.1	Very high	97.3	Very high	29 Å²	29	41.9 Å²	41.9	14%	0.136	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.4	141.4	179.9	-60.6	-166.5	-57.9	0	0	112.2	V311 V350 S351 M374 D375	V311-Q354 PolarHBondContact N-O 3.25Å; V311-Q354 PolarHBondContact O-N 3.22Å; V350-Q354 HydrophobicContact CB-CB 4.46Å; S351-Q354 WeakPolarHBondContact O-CB 3.29Å; S351-Q354 WeakPolarHBondContact O-CG 3.45Å; S351-Q354 PolarHBondContact O-N 2.72Å; Q354-M374 CarbonylContact C-O 3.57Å; Q354-M374 VanDerWaalsContact CA-O 3.31Å; Q354-M374 WeakPolarHBondContact CA-O 3.35Å; Q354-D375 WeakPolarHBondContact CG-OD1 3.48Å; Q354-D375 PolarHBondContact NE2-OD1 2.92Å
355	L	98.3	Very high	97.2	Very high	0 Å²	0	42.9 Å²	42.9	0%	0	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.9	132.2	165.3	169.7	57.6	0	0	0	108.7	I308 Y323 V357 M373 M374 V376 I385 F388 V389	I308-L355 HydrophobicContact CG2-CD1 3.63Å; Y323-L355 HydrophobicContact CD2-CD1 4.29Å; Y323-L355 HydrophobicContact CE2-CD1 3.54Å; Y323-L355 HydrophobicContact CE2-CD2 4.46Å; Y323-L355 HydrophobicContact CE2-CG 4.5Å; L355-V357 HydrophobicContact CG-CG2 4.41Å; L355-M373 CarbonylContact O-C 3.59Å; L355-M373 VanDerWaalsContact O-CA 3.26Å; L355-M373 WeakPolarHBondContact O-CA 3.42Å; L355-M374 HydrophobicContact CD2-CE 4.36Å; L355-M374 PolarHBondContact N-O 3.45Å; L355-M374 PolarHBondContact O-N 2.87Å; L355-V376 HydrophobicContact CB-CG2 3.75Å; L355-I385 HydrophobicContact CD2-CG2 3.81Å; L355-F388 HydrophobicContact CD2-CD1 3.94Å; L355-F388 HydrophobicContact CD2-CE1 4.48Å; L355-F388 HydrophobicContact CG-CD1 4.36Å; L355-F388 HydrophobicContact CG-CE1 4.42Å; L355-V389 HydrophobicContact CD2-CG2 4.21Å
356	V	98.4	Very high	97.1	Very high	0 Å²	0	50.5 Å²	50.5	0%	0	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119	131.6	171.6	65.8	0	0	0	0	111.3	I309 L348 V350 M358 H372 M373	I309-V356 HydrophobicContact CB-CG1 3.87Å; I309-V356 PolarHBondContact N-O 2.85Å; I309-V356 WeakPolarHBondContact O-CG1 3.36Å; I309-V356 PolarHBondContact O-N 3.17Å; L348-V356 HydrophobicContact CD1-CG1 4.04Å; V350-V356 HydrophobicContact CG1-CB 4.07Å; V350-V356 HydrophobicContact CG1-CG1 4.46Å; V350-V356 HydrophobicContact CG1-CG2 4.31Å; V356-M358 HydrophobicContact CG1-CE 4.07Å; V356-M358 HydrophobicContact CG2-CE 4.2Å; V356-M358 HydrophobicContact CG2-CG 3.88Å; V356-M358 HydrophobicContact CG2-SD 3.93Å; V356-H372 CarbonylContact C-O 3.43Å; V356-H372 WeakPolarHBondContact CA-O 3.38Å; V356-M373 HydrophobicContact CB-CG 4.39Å; V356-M373 HydrophobicContact CG2-CG 4.06Å
357	V	98.4	Very high	97.1	Very high	0 Å²	0	46.4 Å²	46.4	0%	0	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.8	125.8	175.7	179	0	0	0	0	108.3	V306 I307 I308 L355 S371 H372 F388 V389	V306-V357 HydrophobicContact CG2-CG1 3.47Å; V306-V357 VanDerWaalsContact CG2-CG1 3.47Å; I307-V357 WeakPolarHBondContact O-CA 3.45Å; I308-V357 HydrophobicContact CG1-CG2 4.49Å; I308-V357 HydrophobicContact CG2-CG2 4.43Å; L355-V357 HydrophobicContact CG-CG2 4.41Å; V357-S371 WeakPolarHBondContact O-CA 3.46Å; V357-H372 PolarHBondContact N-O 2.78Å; V357-H372 PolarHBondContact O-N 3.36Å; V357-F388 HydrophobicContact CB-CE1 4.19Å; V357-F388 HydrophobicContact CG2-CD1 3.91Å; V357-F388 HydrophobicContact CG2-CE1 3.68Å; V357-V389 HydrophobicContact CG2-CG2 4.29Å
358	M	97.9	Very high	97	Very high	13 Å²	13	44.4 Å²	44.4	6%	0.064	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.6	158.3	-175.2	-67.7	171.6	-59.5	0	0	111	V306 I307 I309 L348 V356 S371	V306-M358 WeakPolarHBondContact CG2-O 3.32Å; I307-M358 HydrophobicContact CB-CB 4.35Å; I307-M358 HydrophobicContact CG2-CE 4.17Å; I307-M358 PolarHBondContact N-O 3.21Å; I307-M358 PolarHBondContact O-N 3.5Å; I309-M358 HydrophobicContact CD1-CE 4.08Å; L348-M358 HydrophobicContact CD2-CE 3.61Å; L348-M358 HydrophobicContact CD2-SD 3.9Å; V356-M358 HydrophobicContact CG1-CE 4.07Å; V356-M358 HydrophobicContact CG2-CE 4.2Å; V356-M358 HydrophobicContact CG2-CG 3.88Å; V356-M358 HydrophobicContact CG2-SD 3.93Å; M358-S371 VanDerWaalsContact CG-CB 3.43Å
359	Q	97.7	Very high	96.9	Very high	14 Å²	14	47.7 Å²	47.7	7%	0.065	24%	0.237	C	C	.	.			trans	-102.9	143.8	172.2	-61.5	-65.8	-22.3	0	0	109.4	F363 Q364 Y392 A393 P395	Q359-F363 HydrophobicContact CB-CB 4.18Å; Q359-Q364 HydrophobicContact CB-CG 4.43Å; Q359-Q364 PolarHBondContact O-NE2 3.24Å; Q359-Y392 PolarHBondContact NE2-O 3.3Å; Q359-Y392 VanDerWaalsContact NE2-O 3.1Å; Q359-A393 VanDerWaalsContact NE2-C 3.33Å; Q359-A393 PolarHBondContact NE2-O 2.74Å; Q359-P395 HydrophobicContact CB-CB 4.46Å; Q359-P395 HydrophobicContact CG-CB 3.87Å
360	P	97.4	Very high	96.8	Very high	0 Å²	0	48.2 Å²	48.2	0%	0	23%	0.234	C	C	.	.			trans	-50	149.2	167.5	-26.1	33.3	0	0	0	111.3	L300 G303 D305 I307 K362 F363 Q364	L300-P360 CarbonylContact O-C 3.51Å; L300-P360 WeakPolarHBondContact O-CA 3.25Å; G303-P360 VanDerWaalsContact O-CB 3.29Å; G303-P360 WeakPolarHBondContact O-CB 3.47Å; G303-P360 WeakPolarHBondContact O-CG 3.47Å; D305-P360 WeakPolarHBondContact O-CD 3.45Å; D305-P360 WeakPolarHBondContact O-CG 3.11Å; I307-P360 HydrophobicContact CD1-CG 4.2Å; I307-P360 HydrophobicContact CG1-CG 4.33Å; P360-K362 HydrophobicContact CB-CG 4.39Å; P360-K362 PolarHBondContact O-N 2.89Å; P360-K362 VanDerWaalsContact O-N 3.08Å; P360-F363 HydrophobicContact CB-CD2 4.33Å; P360-F363 HydrophobicContact CG-CD2 4.25Å; P360-F363 WeakPolarHBondContact O-CA 3.31Å; P360-F363 PolarHBondContact O-N 3.16Å; P360-Q364 PolarHBondContact O-N 3.41Å
361	E	96.2	Very high	96.8	Very high	111 Å²	111	49.5 Å²	49.5	52%	0.519	24%	0.244	S	C	.	.	G	3₁₀ helix	trans	-52.7	-37.7	-173.9	-71.3	179.9	172.9	0	0	112.4	L300 F363 Q364	L300-E361 HydrophobicContact CB-CG 4.21Å; L300-E361 WeakPolarHBondContact O-CG 3.3Å; L300-E361 PolarHBondContact O-N 3.44Å; E361-F363 PolarHBondContact O-N 2.86Å; E361-F363 VanDerWaalsContact O-N 3.16Å; E361-Q364 PolarHBondContact O-N 2.79Å; E361-Q364 VanDerWaalsContact O-N 3.17Å
362	K	95.3	Very high	96.9	Very high	46 Å²	46	47.5 Å²	47.5	20%	0.2	23%	0.226	C	C	.	.	G	3₁₀ helix	trans	-62.7	-19.2	177.2	74.1	-168.1	-172.3	-159.5	0	114	G303 P360 F423 Q432 R435	G303-K362 WeakPolarHBondContact O-CE 3.28Å; G303-K362 PolarHBondContact O-NZ 3.48Å; P360-K362 HydrophobicContact CB-CG 4.39Å; P360-K362 PolarHBondContact O-N 2.89Å; P360-K362 VanDerWaalsContact O-N 3.08Å; K362-F423 HydrophobicContact CB-CD1 3.96Å; K362-F423 HydrophobicContact CB-CE1 4.1Å; K362-F423 HydrophobicContact CD-CB 4.23Å; K362-F423 HydrophobicContact CD-CD1 4.01Å; K362-F423 HydrophobicContact CD-CG 4.01Å; K362-F423 HydrophobicContact CG-CD1 4.24Å; K362-F423 HydrophobicContact CG-CE1 4.35Å; K362-Q432 PolarHBondContact O-NE2 2.65Å; K362-R435 PolarHBondContact O-NH1 2.98Å
363	F	96.9	Very high	97	Very high	9 Å²	9	47.8 Å²	47.8	4%	0.039	23%	0.228	C	C	.	.	G	3₁₀ helix	trans	-108.5	-2.3	177.6	-60.4	-46.1	0	0	0	113.8	Q359 P360 E361 P395 H399 F423 R435	Q359-F363 HydrophobicContact CB-CB 4.18Å; P360-F363 HydrophobicContact CB-CD2 4.33Å; P360-F363 HydrophobicContact CG-CD2 4.25Å; P360-F363 WeakPolarHBondContact O-CA 3.31Å; P360-F363 PolarHBondContact O-N 3.16Å; E361-F363 PolarHBondContact O-N 2.86Å; E361-F363 VanDerWaalsContact O-N 3.16Å; F363-P395 HydrophobicContact CB-CB 3.98Å; F363-P395 HydrophobicContact CB-CG 3.99Å; F363-P395 HydrophobicContact CG-CG 4.36Å; F363-H399 HydrophobicContact CE1-CB 3.7Å; F363-H399 HydrophobicContact CZ-CB 3.73Å; F363-F423 HydrophobicContact CD1-CZ 4.23Å; F363-F423 HydrophobicContact CE1-CE1 4.36Å; F363-F423 AromaticContact CE1-CE2 3.72Å; F363-F423 HydrophobicContact CE1-CE2 3.72Å; F363-F423 AromaticContact CE1-CZ 3.57Å; F363-F423 HydrophobicContact CE1-CZ 3.57Å; F363-F423 HydrophobicContact CZ-CE2 4.22Å; F363-F423 HydrophobicContact CZ-CZ 4.45Å; F363-R435 VanDerWaalsContact C-NH2 3.29Å; F363-R435 PolarHBondContact O-NH2 3.22Å
364	Q	96.6	Very high	97	Very high	39 Å²	39	48.7 Å²	48.7	18%	0.182	23%	0.229	C	C	.	.			trans	-71.5	156.6	174	-66	176.9	19.4	0	0	111.1	Q359 P360 E361 R435	Q359-Q364 HydrophobicContact CB-CG 4.43Å; Q359-Q364 PolarHBondContact O-NE2 3.24Å; P360-Q364 PolarHBondContact O-N 3.41Å; E361-Q364 PolarHBondContact O-N 2.79Å; E361-Q364 VanDerWaalsContact O-N 3.17Å; Q364-R435 PolarHBondContact O-NH1 2.89Å
365	S	95.9	Very high	97	Very high	21 Å²	21	52.2 Å²	52.2	15%	0.147	25%	0.248	C	C	.	.			trans	-143.5	168.6	174.1	80	0	0	0	0	110.9	Y367 E368	S365-Y367 PolarHBondContact O-N 3.47Å; S365-Y367 PolarHBondContact OG-N 3.5Å; S365-E368 WeakPolarHBondContact CB-OE1 3.16Å; S365-E368 PolarHBondContact OG-OE1 2.66Å
366	K	96.2	Very high	97	Very high	167 Å²	167	52.4 Å²	52.4	73%	0.726	25%	0.249	S	C	*	.	T	Hydrogen-bonded Turn	trans	-79	-4.1	172.8	68.7	-175.7	-178.2	-175.2	0	113.1	E440	K366-E440 IonicContact NZ-OE1 2.66Å
367	Y	96.9	Very high	96.8	Very high	74 Å²	74	58.1 Å²	58.1	29%	0.29	28%	0.276	S	S	.	.	T	Hydrogen-bonded Turn	trans	-96.4	-8.1	-175.6	-61.2	-54.9	0	0	0	113.2	S365 L439 E440 K443	S365-Y367 PolarHBondContact O-N 3.47Å; S365-Y367 PolarHBondContact OG-N 3.5Å; Y367-L439 HydrophobicContact CD2-CB 4.05Å; Y367-L439 HydrophobicContact CE2-CB 4.15Å; Y367-E440 PolarHBondContact OH-OE1 2.66Å; Y367-E440 PolarHBondContact OH-OE2 2.95Å; Y367-K443 HydrophobicContact CD1-CB 4.25Å; Y367-K443 HydrophobicContact CD1-CD 3.45Å; Y367-K443 VanDerWaalsContact CD1-CD 3.45Å; Y367-K443 HydrophobicContact CD1-CG 4.47Å; Y367-K443 HydrophobicContact CD2-CB 4.47Å; Y367-K443 HydrophobicContact CD2-CD 4.19Å; Y367-K443 HydrophobicContact CE1-CD 3.35Å; Y367-K443 HydrophobicContact CE2-CD 4.08Å; Y367-K443 HydrophobicContact CG-CB 4.02Å; Y367-K443 HydrophobicContact CG-CD 3.9Å
368	E	94.8	Very high	96.5	Very high	38 Å²	38	60 Å²	60	18%	0.178	30%	0.296	C	S	.	.	S	Bend	trans	-134.6	151.4	178.4	67.1	-152.7	113.8	0	0	110.7	S365 L396	S365-E368 WeakPolarHBondContact CB-OE1 3.16Å; S365-E368 PolarHBondContact OG-OE1 2.66Å; E368-L396 VanDerWaalsContact OE1-CB 3.3Å; E368-L396 WeakPolarHBondContact OE1-CB 3.21Å; E368-L396 PolarHBondContact OE2-N 2.92Å
369	P	96.2	Very high	96.3	Very high	84 Å²	84	63.6 Å²	63.6	55%	0.545	32%	0.322	S	S	.	.			trans	-56.5	143	169	-23.6	34.6	0	0	0	111.4	S371	P369-S371 PolarHBondContact O-N 3.12Å
370	R	95.5	Very high	96.3	Very high	189 Å²	189	64 Å²	64	71%	0.713	33%	0.326	S	S	*	.	S	Bend	trans	-66	-22.8	177.8	-70.9	-173.2	165.9	121	-2.2	113.9
371	S	97.1	Very high	96.1	Very high	39 Å²	39	70.2 Å²	70.2	27%	0.273	36%	0.355	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-151.1	144.6	-175.9	59.2	0	0	0	0	110	V357 M358 P369	V357-S371 WeakPolarHBondContact O-CA 3.46Å; M358-S371 VanDerWaalsContact CG-CB 3.43Å; P369-S371 PolarHBondContact O-N 3.12Å
372	H	98.1	Very high	95.7	Very high	39 Å²	39	66.3 Å²	66.3	18%	0.181	34%	0.337	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.5	134	171.6	-60.3	-80.8	0	0	0	108.7	V356 V357 F388 Y392	V356-H372 CarbonylContact C-O 3.43Å; V356-H372 WeakPolarHBondContact CA-O 3.38Å; V357-H372 PolarHBondContact N-O 2.78Å; V357-H372 PolarHBondContact O-N 3.36Å; H372-F388 HydrophobicContact CB-CE1 4.36Å; H372-F388 HydrophobicContact CB-CE2 4.47Å; H372-F388 HydrophobicContact CB-CZ 3.72Å; H372-Y392 HydrophobicContact CB-CD1 4.21Å; H372-Y392 HydrophobicContact CB-CD2 3.71Å; H372-Y392 HydrophobicContact CB-CE2 4.05Å; H372-Y392 HydrophobicContact CB-CG 3.81Å; H372-Y392 AromaticContact CD2-CD1 3.45Å; H372-Y392 VanDerWaalsContact CD2-CD1 3.45Å; H372-Y392 WeakPolarHBondContact CD2-CD1 3.45Å; H372-Y392 AromaticContact CD2-CG 3.64Å; H372-Y392 AromaticContact CE1-CD1 3.54Å; H372-Y392 AromaticContact CE1-CE1 3.46Å; H372-Y392 VanDerWaalsContact CE1-CE1 3.46Å; H372-Y392 WeakPolarHBondContact CE1-CE1 3.38Å; H372-Y392 AromaticContact CG-CD1 3.46Å; H372-Y392 VanDerWaalsContact CG-CD1 3.46Å; H372-Y392 AromaticContact CG-CD2 3.89Å; H372-Y392 AromaticContact CG-CE1 3.75Å; H372-Y392 AromaticContact CG-CG 3.54Å; H372-Y392 AromaticContact ND1-CD1 3.53Å; H372-Y392 AromaticContact ND1-CE1 3.34Å; H372-Y392 VanDerWaalsContact ND1-CE1 3.34Å; H372-Y392 WeakPolarHBondContact ND1-CE1 3.08Å; H372-Y392 AromaticContact ND1-CZ 3.72Å; H372-Y392 AromaticContact NE2-CD1 3.5Å; H372-Y392 AromaticContact NE2-CE1 3.93Å
373	M	97.6	Very high	95.6	Very high	77 Å²	77	67.3 Å²	67.3	38%	0.379	35%	0.351	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.4	145.4	-176.3	-58.6	150	79	0	0	110.8	K349 V350 L355 V356 F388	K349-M373 WeakPolarHBondContact O-CE 3.16Å; V350-M373 HydrophobicContact CB-CE 3.82Å; V350-M373 HydrophobicContact CG1-CE 3.28Å; V350-M373 HydrophobicContact CG1-CG 3.95Å; V350-M373 HydrophobicContact CG1-SD 4.08Å; L355-M373 CarbonylContact O-C 3.59Å; L355-M373 VanDerWaalsContact O-CA 3.26Å; L355-M373 WeakPolarHBondContact O-CA 3.42Å; V356-M373 HydrophobicContact CB-CG 4.39Å; V356-M373 HydrophobicContact CG2-CG 4.06Å; M373-F388 VanDerWaalsContact C-CZ 3.4Å; M373-F388 WeakPolarHBondContact O-CZ 3.36Å
374	M	97.6	Very high	95.6	Very high	33 Å²	33	68.8 Å²	68.8	16%	0.163	36%	0.364	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.1	138.3	173.1	-172.1	-178.3	78.7	0	0	109.8	Q354 L355 V376 T380 I385 F388	Q354-M374 CarbonylContact C-O 3.57Å; Q354-M374 VanDerWaalsContact CA-O 3.31Å; Q354-M374 WeakPolarHBondContact CA-O 3.35Å; L355-M374 HydrophobicContact CD2-CE 4.36Å; L355-M374 PolarHBondContact N-O 3.45Å; L355-M374 PolarHBondContact O-N 2.87Å; M374-V376 HydrophobicContact CE-CG2 3.91Å; M374-T380 HydrophobicContact CE-CG2 4.17Å; M374-I385 HydrophobicContact CE-CB 4.18Å; M374-I385 HydrophobicContact CE-CG1 3.45Å; M374-I385 VanDerWaalsContact CE-CG1 3.45Å; M374-F388 HydrophobicContact CB-CD1 4.02Å; M374-F388 HydrophobicContact CB-CD2 3.84Å; M374-F388 HydrophobicContact CB-CE1 3.94Å; M374-F388 HydrophobicContact CB-CE2 3.76Å; M374-F388 HydrophobicContact CB-CG 3.97Å; M374-F388 HydrophobicContact CB-CZ 3.81Å; M374-F388 HydrophobicContact CE-CB 4.47Å; M374-F388 HydrophobicContact CG-CD2 4.24Å; M374-F388 HydrophobicContact CG-CG 4.43Å; M374-F388 HydrophobicContact SD-CB 3.71Å; M374-F388 HydrophobicContact SD-CD2 3.99Å; M374-F388 HydrophobicContact SD-CG 3.83Å
375	D	97.9	Very high	95.6	Very high	103 Å²	103	67 Å²	67	55%	0.551	36%	0.356	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-73	133	170.7	-62.6	-37.6	0	0	0	110.2	Q354	Q354-D375 WeakPolarHBondContact CG-OD1 3.48Å; Q354-D375 PolarHBondContact NE2-OD1 2.92Å
376	V	97.6	Very high	95.5	Very high	4 Å²	4	70.1 Å²	70.1	2%	0.024	37%	0.367	C	S	.	.			trans	-118.8	128.6	176.9	-176	0	0	0	0	108.2	F312 A319 Q322 G353 L355 M374 I385	F312-V376 HydrophobicContact CE1-CB 4.15Å; F312-V376 HydrophobicContact CE1-CG1 4.25Å; A319-V376 HydrophobicContact CB-CB 4.37Å; A319-V376 HydrophobicContact CB-CG1 4.06Å; A319-V376 WeakPolarHBondContact CB-O 3.37Å; A319-V376 WeakPolarHBondContact O-CG1 3.42Å; Q322-V376 HydrophobicContact CB-CG1 4.5Å; G353-V376 PolarHBondContact O-N 2.83Å; L355-V376 HydrophobicContact CB-CG2 3.75Å; M374-V376 HydrophobicContact CE-CG2 3.91Å; V376-I385 HydrophobicContact CG1-CD1 4.09Å
377	Q	94.7	Very high	95.5	Very high	120 Å²	120	67 Å²	67	56%	0.561	36%	0.358	S	S	*	.			trans	-129.6	165.3	177.4	-61.9	-180	-17.9	0	0	108.2	S379 T380	Q377-S379 PolarHBondContact O-N 3.26Å; Q377-T380 PolarHBondContact N-OG1 3.42Å; Q377-T380 WeakPolarHBondContact O-CB 3.37Å; Q377-T380 PolarHBondContact O-N 2.95Å; Q377-T380 PolarHBondContact O-OG1 3.04Å
378	G	92.5	Very high	95.5	Very high	41 Å²	41	64.8 Å²	64.8	42%	0.423	35%	0.35	S	S	.	.	T	Hydrogen-bonded Turn	trans	-62.4	-10.7	174.6	0	0	0	0	0	114.5
379	S	94.4	Very high	95.6	Very high	87 Å²	87	63 Å²	63	61%	0.608	34%	0.342	S	S	*	.	T	Hydrogen-bonded Turn	trans	-101.9	-2.2	174.5	56.7	0	0	0	0	113.9	Q377	Q377-S379 PolarHBondContact O-N 3.26Å
380	T	96.1	Very high	95.5	Very high	23 Å²	23	62.7 Å²	62.7	14%	0.141	34%	0.335	C	S	.	.			trans	-65.9	133.5	177.5	-62.2	0	0	0	0	108.9	Q322 M374 Q377 A384 I385	Q322-T380 WeakPolarHBondContact CG-O 3.48Å; Q322-T380 PolarHBondContact NE2-O 3.39Å; M374-T380 HydrophobicContact CE-CG2 4.17Å; Q377-T380 PolarHBondContact N-OG1 3.42Å; Q377-T380 WeakPolarHBondContact O-CB 3.37Å; Q377-T380 PolarHBondContact O-N 2.95Å; Q377-T380 PolarHBondContact O-OG1 3.04Å; T380-A384 HydrophobicContact CG2-CB 4.3Å; T380-I385 HydrophobicContact CG2-CD1 4.25Å; T380-I385 HydrophobicContact CG2-CG1 3.99Å
381	Q	93.1	Very high	95.5	Very high	131 Å²	131	60.6 Å²	60.6	61%	0.612	33%	0.331	S	S	*	.			trans	-74.7	143.1	177.8	-64.7	-65.1	-37.2	0	0	111	S383 A384 I385	Q381-S383 PolarHBondContact O-N 3.29Å; Q381-A384 HydrophobicContact CB-CB 4.5Å; Q381-A384 WeakPolarHBondContact O-CB 3.41Å; Q381-A384 PolarHBondContact O-N 3.08Å; Q381-I385 PolarHBondContact O-N 3.21Å
382	D	89	Confident	95.4	Very high	28 Å²	28	61.4 Å²	61.4	15%	0.15	33%	0.329	C	S	.	.	H	α-helix	trans	-54.4	-39.1	175	-76.3	-23.2	0	0	0	112	R262 Q322 D325 A326 A384 I385 K386	R262-D382 IonicContact NH1-OD2 2.65Å; R262-D382 PolarHBondContact NH1-OD2 3.49Å; Q322-D382 VanDerWaalsContact NE2-CG 3.32Å; Q322-D382 PolarHBondContact NE2-OD1 3.33Å; D325-D382 WeakPolarHBondContact CB-OD1 3.45Å; A326-D382 HydrophobicContact CB-CB 4.39Å; A326-D382 PolarHBondContact N-OD1 2.96Å; D382-A384 VanDerWaalsContact C-N 3.3Å; D382-A384 PolarHBondContact O-N 3.28Å; D382-I385 PolarHBondContact O-N 2.84Å; D382-K386 PolarHBondContact O-N 2.88Å
383	S	92.5	Very high	95.3	Very high	68 Å²	68	59.7 Å²	59.7	48%	0.476	32%	0.321	S	S	.	.	H	α-helix	trans	-60.9	-36.5	176.6	54.1	0	0	0	0	112.7	Q381 K386 D387	Q381-S383 PolarHBondContact O-N 3.29Å; S383-K386 PolarHBondContact O-N 3.47Å; S383-D387 WeakPolarHBondContact O-CB 3.49Å; S383-D387 PolarHBondContact O-N 3Å
384	A	96.9	Very high	95.2	Very high	40 Å²	40	58.6 Å²	58.6	33%	0.331	32%	0.316	S	S	.	.	H	α-helix	trans	-67.1	-40.1	178.4	0	0	0	0	0	111.8	T380 Q381 D382 F388	T380-A384 HydrophobicContact CG2-CB 4.3Å; Q381-A384 HydrophobicContact CB-CB 4.5Å; Q381-A384 WeakPolarHBondContact O-CB 3.41Å; Q381-A384 PolarHBondContact O-N 3.08Å; D382-A384 VanDerWaalsContact C-N 3.3Å; D382-A384 PolarHBondContact O-N 3.28Å; A384-F388 VanDerWaalsContact O-CB 3.29Å; A384-F388 WeakPolarHBondContact O-CB 3.37Å; A384-F388 PolarHBondContact O-N 3.45Å
385	I	96.5	Very high	95.2	Very high	0 Å²	0	57.5 Å²	57.5	0%	0	31%	0.312	C	S	.	.	H	α-helix	trans	-64.7	-45.2	173.4	-65.8	166.5	0	0	0	110.1	Q322 A326 L355 M374 V376 T380 Q381 D382 F388 V389	Q322-I385 HydrophobicContact CG-CD1 4.19Å; A326-I385 HydrophobicContact CB-CB 3.6Å; A326-I385 HydrophobicContact CB-CD1 3.64Å; A326-I385 HydrophobicContact CB-CG1 4.2Å; A326-I385 HydrophobicContact CB-CG2 3.51Å; L355-I385 HydrophobicContact CD2-CG2 3.81Å; M374-I385 HydrophobicContact CE-CB 4.18Å; M374-I385 HydrophobicContact CE-CG1 3.45Å; M374-I385 VanDerWaalsContact CE-CG1 3.45Å; V376-I385 HydrophobicContact CG1-CD1 4.09Å; T380-I385 HydrophobicContact CG2-CD1 4.25Å; T380-I385 HydrophobicContact CG2-CG1 3.99Å; Q381-I385 PolarHBondContact O-N 3.21Å; D382-I385 PolarHBondContact O-N 2.84Å; I385-F388 PolarHBondContact O-N 3.33Å; I385-V389 HydrophobicContact CG2-CG2 4.47Å; I385-V389 WeakPolarHBondContact O-CG2 3.28Å; I385-V389 PolarHBondContact O-N 2.91Å
386	K	94.2	Very high	95.2	Very high	88 Å²	88	54.6 Å²	54.6	38%	0.383	30%	0.296	S	S	.	.	H	α-helix	trans	-57.2	-52.7	176.9	170.8	174	-179.5	179.6	0	111.6	L330 D382 S383 F388 V389 L390	L330-K386 HydrophobicContact CD1-CB 4.04Å; L330-K386 HydrophobicContact CD1-CG 4.06Å; L330-K386 HydrophobicContact CD2-CD 4.4Å; L330-K386 HydrophobicContact CD2-CG 4.17Å; L330-K386 HydrophobicContact CG-CG 4.38Å; D382-K386 PolarHBondContact O-N 2.88Å; S383-K386 PolarHBondContact O-N 3.47Å; K386-F388 VanDerWaalsContact C-N 3.28Å; K386-F388 PolarHBondContact O-N 3.14Å; K386-V389 PolarHBondContact O-N 2.84Å; K386-L390 HydrophobicContact CD-CD1 4.48Å; K386-L390 HydrophobicContact CG-CD1 3.79Å; K386-L390 HydrophobicContact CG-CG 4.28Å; K386-L390 WeakPolarHBondContact O-CB 3.17Å; K386-L390 VanDerWaalsContact O-CG 3.3Å; K386-L390 WeakPolarHBondContact O-CG 3.36Å; K386-L390 PolarHBondContact O-N 3.27Å
387	D	96.1	Very high	95.2	Very high	101 Å²	101	54.4 Å²	54.4	54%	0.54	30%	0.295	S	S	.	.	H	α-helix	trans	-61	-39.6	-179.2	-68.4	-14.4	0	0	0	111.3	S383 K391	S383-D387 WeakPolarHBondContact O-CB 3.49Å; S383-D387 PolarHBondContact O-N 3Å; D387-K391 WeakPolarHBondContact O-CB 3.2Å; D387-K391 PolarHBondContact O-N 3.23Å
388	F	97.9	Very high	95.3	Very high	28 Å²	28	48.8 Å²	48.8	12%	0.123	27%	0.269	C	S	.	.	H	α-helix	trans	-63.1	-46.6	176	-173.5	-96	0	0	0	112.3	L355 V357 H372 M373 M374 A384 I385 K386 K391 Y392	L355-F388 HydrophobicContact CD2-CD1 3.94Å; L355-F388 HydrophobicContact CD2-CE1 4.48Å; L355-F388 HydrophobicContact CG-CD1 4.36Å; L355-F388 HydrophobicContact CG-CE1 4.42Å; V357-F388 HydrophobicContact CB-CE1 4.19Å; V357-F388 HydrophobicContact CG2-CD1 3.91Å; V357-F388 HydrophobicContact CG2-CE1 3.68Å; H372-F388 HydrophobicContact CB-CE1 4.36Å; H372-F388 HydrophobicContact CB-CE2 4.47Å; H372-F388 HydrophobicContact CB-CZ 3.72Å; M373-F388 VanDerWaalsContact C-CZ 3.4Å; M373-F388 WeakPolarHBondContact O-CZ 3.36Å; M374-F388 HydrophobicContact CB-CD1 4.02Å; M374-F388 HydrophobicContact CB-CD2 3.84Å; M374-F388 HydrophobicContact CB-CE1 3.94Å; M374-F388 HydrophobicContact CB-CE2 3.76Å; M374-F388 HydrophobicContact CB-CG 3.97Å; M374-F388 HydrophobicContact CB-CZ 3.81Å; M374-F388 HydrophobicContact CE-CB 4.47Å; M374-F388 HydrophobicContact CG-CD2 4.24Å; M374-F388 HydrophobicContact CG-CG 4.43Å; M374-F388 HydrophobicContact SD-CB 3.71Å; M374-F388 HydrophobicContact SD-CD2 3.99Å; M374-F388 HydrophobicContact SD-CG 3.83Å; A384-F388 VanDerWaalsContact O-CB 3.29Å; A384-F388 WeakPolarHBondContact O-CB 3.37Å; A384-F388 PolarHBondContact O-N 3.45Å; I385-F388 PolarHBondContact O-N 3.33Å; K386-F388 VanDerWaalsContact C-N 3.28Å; K386-F388 PolarHBondContact O-N 3.14Å; F388-K391 PolarHBondContact O-N 2.97Å; F388-Y392 HydrophobicContact CD1-CD2 4.43Å; F388-Y392 AromaticContact CD2-CD2 4Å; F388-Y392 HydrophobicContact CD2-CD2 4Å; F388-Y392 AromaticContact CD2-CE2 3.74Å; F388-Y392 HydrophobicContact CD2-CE2 3.74Å; F388-Y392 HydrophobicContact CE1-CD2 4.22Å; F388-Y392 AromaticContact CE2-CD2 3.76Å; F388-Y392 HydrophobicContact CE2-CD2 3.76Å; F388-Y392 AromaticContact CE2-CE2 3.43Å; F388-Y392 HydrophobicContact CE2-CE2 3.43Å; F388-Y392 VanDerWaalsContact CE2-CE2 3.43Å; F388-Y392 HydrophobicContact CG-CD2 4.32Å; F388-Y392 HydrophobicContact CG-CE2 4.49Å; F388-Y392 AromaticContact CZ-CD2 3.87Å; F388-Y392 HydrophobicContact CZ-CD2 3.87Å; F388-Y392 AromaticContact CZ-CE2 3.96Å; F388-Y392 HydrophobicContact CZ-CE2 3.96Å; F388-Y392 VanDerWaalsContact O-CD2 3.26Å; F388-Y392 WeakPolarHBondContact O-CD2 3.23Å; F388-Y392 PolarHBondContact O-N 2.76Å
389	V	96.9	Very high	95.5	Very high	0 Å²	0	48 Å²	48	0%	0	25%	0.254	C	S	.	.	H	α-helix	trans	-61.8	-51.7	176.2	169.7	0	0	0	0	110.5	I308 L330 Y334 F336 L355 V357 I385 K386 K391 Y392 A393	I308-V389 HydrophobicContact CD1-CG1 3.51Å; I308-V389 HydrophobicContact CD1-CG2 4.28Å; I308-V389 HydrophobicContact CG1-CG1 4.44Å; I308-V389 HydrophobicContact CG2-CG2 4.18Å; L330-V389 HydrophobicContact CD1-CB 4.25Å; L330-V389 HydrophobicContact CD1-CG1 4.25Å; Y334-V389 HydrophobicContact CD1-CG1 4.42Å; Y334-V389 HydrophobicContact CD2-CG1 4.38Å; Y334-V389 HydrophobicContact CE1-CG1 4.49Å; Y334-V389 HydrophobicContact CE2-CG1 4.46Å; Y334-V389 HydrophobicContact CG-CG1 4.35Å; F336-V389 HydrophobicContact CE1-CG2 4.15Å; F336-V389 HydrophobicContact CZ-CG1 4.42Å; F336-V389 HydrophobicContact CZ-CG2 4.16Å; L355-V389 HydrophobicContact CD2-CG2 4.21Å; V357-V389 HydrophobicContact CG2-CG2 4.29Å; I385-V389 HydrophobicContact CG2-CG2 4.47Å; I385-V389 WeakPolarHBondContact O-CG2 3.28Å; I385-V389 PolarHBondContact O-N 2.91Å; K386-V389 PolarHBondContact O-N 2.84Å; V389-K391 VanDerWaalsContact C-N 3.26Å; V389-K391 PolarHBondContact O-N 3.04Å; V389-Y392 CarbonylContact O-C 3.46Å; V389-Y392 PolarHBondContact O-N 3.46Å; V389-Y392 VanDerWaalsContact O-N 3.15Å; V389-A393 WeakPolarHBondContact O-CA 3.44Å; V389-A393 VanDerWaalsContact O-CB 3.25Å; V389-A393 WeakPolarHBondContact O-CB 3.29Å; V389-A393 PolarHBondContact O-N 2.9Å
390	L	94	Very high	95.7	Very high	78 Å²	78	44.2 Å²	44.2	41%	0.408	23%	0.227	S	C	.	.	H	α-helix	trans	-60.2	-36.7	-178.1	-68.4	179.1	0	0	0	112.3	Y334 K386 Y392	Y334-L390 HydrophobicContact CE2-CD2 3.77Å; Y334-L390 WeakPolarHBondContact OH-CD2 3.41Å; K386-L390 HydrophobicContact CD-CD1 4.48Å; K386-L390 HydrophobicContact CG-CD1 3.79Å; K386-L390 HydrophobicContact CG-CG 4.28Å; K386-L390 WeakPolarHBondContact O-CB 3.17Å; K386-L390 VanDerWaalsContact O-CG 3.3Å; K386-L390 WeakPolarHBondContact O-CG 3.36Å; K386-L390 PolarHBondContact O-N 3.27Å; L390-Y392 VanDerWaalsContact C-N 3.33Å; L390-Y392 PolarHBondContact O-N 3.49Å
391	K	95	Very high	95.7	Very high	145 Å²	145	44.9 Å²	44.9	63%	0.63	23%	0.228	S	C	*	.	H	α-helix	trans	-64.8	-34	178.6	-176.7	177.1	-178.6	-173	0	113.5	D387 F388 V389	D387-K391 WeakPolarHBondContact O-CB 3.2Å; D387-K391 PolarHBondContact O-N 3.23Å; F388-K391 PolarHBondContact O-N 2.97Å; V389-K391 VanDerWaalsContact C-N 3.26Å; V389-K391 PolarHBondContact O-N 3.04Å
392	Y	95.7	Very high	95.9	Very high	56 Å²	56	43.4 Å²	43.4	22%	0.22	23%	0.227	C	C	.	.	H	α-helix	trans	-115.3	7	-173.9	-59.5	-61.9	0	0	0	113.7	Q359 H372 F388 V389 L390 L394	Q359-Y392 PolarHBondContact NE2-O 3.3Å; Q359-Y392 VanDerWaalsContact NE2-O 3.1Å; H372-Y392 HydrophobicContact CB-CD1 4.21Å; H372-Y392 HydrophobicContact CB-CD2 3.71Å; H372-Y392 HydrophobicContact CB-CE2 4.05Å; H372-Y392 HydrophobicContact CB-CG 3.81Å; H372-Y392 AromaticContact CD2-CD1 3.45Å; H372-Y392 VanDerWaalsContact CD2-CD1 3.45Å; H372-Y392 WeakPolarHBondContact CD2-CD1 3.45Å; H372-Y392 AromaticContact CD2-CG 3.64Å; H372-Y392 AromaticContact CE1-CD1 3.54Å; H372-Y392 AromaticContact CE1-CE1 3.46Å; H372-Y392 VanDerWaalsContact CE1-CE1 3.46Å; H372-Y392 WeakPolarHBondContact CE1-CE1 3.38Å; H372-Y392 AromaticContact CG-CD1 3.46Å; H372-Y392 VanDerWaalsContact CG-CD1 3.46Å; H372-Y392 AromaticContact CG-CD2 3.89Å; H372-Y392 AromaticContact CG-CE1 3.75Å; H372-Y392 AromaticContact CG-CG 3.54Å; H372-Y392 AromaticContact ND1-CD1 3.53Å; H372-Y392 AromaticContact ND1-CE1 3.34Å; H372-Y392 VanDerWaalsContact ND1-CE1 3.34Å; H372-Y392 WeakPolarHBondContact ND1-CE1 3.08Å; H372-Y392 AromaticContact ND1-CZ 3.72Å; H372-Y392 AromaticContact NE2-CD1 3.5Å; H372-Y392 AromaticContact NE2-CE1 3.93Å; F388-Y392 HydrophobicContact CD1-CD2 4.43Å; F388-Y392 AromaticContact CD2-CD2 4Å; F388-Y392 HydrophobicContact CD2-CD2 4Å; F388-Y392 AromaticContact CD2-CE2 3.74Å; F388-Y392 HydrophobicContact CD2-CE2 3.74Å; F388-Y392 HydrophobicContact CE1-CD2 4.22Å; F388-Y392 AromaticContact CE2-CD2 3.76Å; F388-Y392 HydrophobicContact CE2-CD2 3.76Å; F388-Y392 AromaticContact CE2-CE2 3.43Å; F388-Y392 HydrophobicContact CE2-CE2 3.43Å; F388-Y392 VanDerWaalsContact CE2-CE2 3.43Å; F388-Y392 HydrophobicContact CG-CD2 4.32Å; F388-Y392 HydrophobicContact CG-CE2 4.49Å; F388-Y392 AromaticContact CZ-CD2 3.87Å; F388-Y392 HydrophobicContact CZ-CD2 3.87Å; F388-Y392 AromaticContact CZ-CE2 3.96Å; F388-Y392 HydrophobicContact CZ-CE2 3.96Å; F388-Y392 VanDerWaalsContact O-CD2 3.26Å; F388-Y392 WeakPolarHBondContact O-CD2 3.23Å; F388-Y392 PolarHBondContact O-N 2.76Å; V389-Y392 CarbonylContact O-C 3.46Å; V389-Y392 PolarHBondContact O-N 3.46Å; V389-Y392 VanDerWaalsContact O-N 3.15Å; L390-Y392 VanDerWaalsContact C-N 3.33Å; L390-Y392 PolarHBondContact O-N 3.49Å; Y392-L394 VanDerWaalsContact C-N 3.29Å; Y392-L394 PolarHBondContact O-N 2.98Å
393	A	95.2	Very high	96.1	Very high	3 Å²	3	46.7 Å²	46.7	3%	0.025	25%	0.253	C	S	.	.	S	Bend	trans	-64.2	-31.1	179.4	0	0	0	0	0	113.4	V306 Y334 Q359 V389	V306-A393 WeakPolarHBondContact CB-O 3.31Å; V306-A393 HydrophobicContact CG1-CB 4.41Å; Y334-A393 HydrophobicContact CE1-CB 3.62Å; Q359-A393 VanDerWaalsContact NE2-C 3.33Å; Q359-A393 PolarHBondContact NE2-O 2.74Å; V389-A393 WeakPolarHBondContact O-CA 3.44Å; V389-A393 VanDerWaalsContact O-CB 3.25Å; V389-A393 WeakPolarHBondContact O-CB 3.29Å; V389-A393 PolarHBondContact O-N 2.9Å
394	L	95.9	Very high	96.2	Very high	53 Å²	53	44.5 Å²	44.5	28%	0.277	24%	0.235	S	C	.	.	S	Bend	trans	-99.1	135.3	176.9	-72.3	175	0	0	0	110.9	Y392 R408 Y409 T449	Y392-L394 VanDerWaalsContact C-N 3.29Å; Y392-L394 PolarHBondContact O-N 2.98Å; L394-R408 WeakPolarHBondContact CD1-O 3.09Å; L394-R408 HydrophobicContact CD2-CB 3.92Å; L394-Y409 HydrophobicContact CD2-CD1 4.48Å; L394-Y409 HydrophobicContact CD2-CE1 3.88Å; L394-Y409 HydrophobicContact CD2-CE2 4.34Å; L394-T449 HydrophobicContact CD1-CG2 3.95Å
395	P	96.9	Very high	96.1	Very high	11 Å²	11	44.3 Å²	44.3	7%	0.071	23%	0.229	C	C	.	.			trans	-68.7	162	162.4	32.3	-35	0	0	0	110	Q359 F363 V397	Q359-P395 HydrophobicContact CB-CB 4.46Å; Q359-P395 HydrophobicContact CG-CB 3.87Å; F363-P395 HydrophobicContact CB-CB 3.98Å; F363-P395 HydrophobicContact CB-CG 3.99Å; F363-P395 HydrophobicContact CG-CG 4.36Å; P395-V397 PolarHBondContact O-N 3.2Å; P395-V397 VanDerWaalsContact O-N 3.14Å
396	L	97.2	Very high	95.9	Very high	42 Å²	42	48.3 Å²	48.3	22%	0.22	26%	0.262	C	S	.	.	S	Bend	trans	-53.4	-37.2	178	-177.1	61.1	0	0	0	113.3	E368 L439 A442 K443	E368-L396 VanDerWaalsContact OE1-CB 3.3Å; E368-L396 WeakPolarHBondContact OE1-CB 3.21Å; E368-L396 PolarHBondContact OE2-N 2.92Å; L396-L439 HydrophobicContact CB-CD2 4.04Å; L396-L439 HydrophobicContact CD2-CD2 3.86Å; L396-L439 HydrophobicContact CG-CD2 4.06Å; L396-A442 HydrophobicContact CD1-CB 4.08Å; L396-A442 HydrophobicContact CD2-CB 4.39Å; L396-A442 HydrophobicContact CG-CB 3.89Å; L396-K443 HydrophobicContact CD2-CB 4.09Å
397	V	98.3	Very high	95.7	Very high	0 Å²	0	49.1 Å²	49.1	0%	0	27%	0.266	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.4	104.6	168.8	-179.1	0	0	0	0	108.6	P395 R435 V438 L439 A442 F450 I452	P395-V397 PolarHBondContact O-N 3.2Å; P395-V397 VanDerWaalsContact O-N 3.14Å; V397-R435 HydrophobicContact CB-CG 4.41Å; V397-R435 HydrophobicContact CG1-CG 3.97Å; V397-R435 PolarHBondContact O-NE 2.95Å; V397-R435 PolarHBondContact O-NH2 3.38Å; V397-V438 HydrophobicContact CG1-CB 4.17Å; V397-V438 HydrophobicContact CG1-CG1 3.92Å; V397-V438 HydrophobicContact CG2-CB 4.27Å; V397-V438 HydrophobicContact CG2-CG1 3.82Å; V397-L439 HydrophobicContact CB-CD2 3.95Å; V397-L439 HydrophobicContact CB-CG 4.07Å; V397-L439 HydrophobicContact CG2-CB 4.45Å; V397-L439 HydrophobicContact CG2-CD2 3.63Å; V397-L439 HydrophobicContact CG2-CG 3.79Å; V397-A442 HydrophobicContact CG2-CB 3.6Å; V397-F450 HydrophobicContact CG2-CB 3.95Å; V397-I452 HydrophobicContact CG1-CG2 3.83Å
398	G	96.8	Very high	95.5	Very high	1 Å²	1	45 Å²	45	1%	0.01	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.8	175.4	-179.4	0	0	0	0	0	113.9	Y409 A451 I452	G398-Y409 WeakPolarHBondContact CA-OH 3.46Å; G398-A451 CarbonylContact O-C 3.5Å; G398-A451 WeakPolarHBondContact O-CA 3.43Å; G398-I452 WeakPolarHBondContact O-CG1 3.49Å; G398-I452 PolarHBondContact O-N 3Å
399	H	97.6	Very high	95.4	Very high	25 Å²	25	44 Å²	44	12%	0.116	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.9	108.8	174.7	-177.4	-170.4	0	0	0	110.5	F363 N404 Y409 F423 I452	F363-H399 HydrophobicContact CE1-CB 3.7Å; F363-H399 HydrophobicContact CZ-CB 3.73Å; H399-N404 PolarHBondContact O-ND2 3.02Å; H399-Y409 PolarHBondContact N-OH 2.77Å; H399-F423 HydrophobicContact CB-CE2 4.17Å; H399-F423 AromaticContact ND1-CE2 3.89Å; H399-I452 WeakPolarHBondContact CA-O 3.31Å; H399-I452 HydrophobicContact CB-CG1 4.41Å
400	R	97.9	Very high	95.3	Very high	8 Å²	8	48.6 Å²	48.6	3%	0.03	27%	0.266	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.8	120.2	171.3	173.7	175.8	-179.6	-115.4	-1.1	109.5	D405 Y409 A451 I452 A453 Y458 E461	R400-D405 IonicContact CZ-OD1 3.46Å; R400-D405 IonicContact CZ-OD2 3.85Å; R400-D405 VanDerWaalsContact NE-CG 3.29Å; R400-D405 IonicContact NE-OD1 2.82Å; R400-D405 PolarHBondContact NE-OD1 3.36Å; R400-D405 IonicContact NE-OD2 2.58Å; R400-D405 PolarHBondContact NE-OD2 3.2Å; R400-D405 IonicContact NH2-OD1 3.3Å; R400-D405 PolarHBondContact NH2-OD1 2.87Å; R400-D405 IonicContact NH2-OD2 3.69Å; R400-D405 PolarHBondContact NH2-OD2 2.93Å; R400-Y409 VanDerWaalsContact CA-CE2 3.4Å; R400-Y409 HydrophobicContact CB-CD1 4.4Å; R400-Y409 HydrophobicContact CB-CD2 3.71Å; R400-Y409 HydrophobicContact CB-CE1 4.39Å; R400-Y409 HydrophobicContact CB-CE2 3.71Å; R400-Y409 HydrophobicContact CB-CG 4.07Å; R400-Y409 HydrophobicContact CG-CD2 3.84Å; R400-Y409 HydrophobicContact CG-CE2 4.33Å; R400-Y409 HydrophobicContact CG-CG 4.09Å; R400-A451 HydrophobicContact CB-CB 3.75Å; R400-I452 PolarHBondContact N-O 2.68Å; R400-A453 HydrophobicContact CB-CB 4.3Å; R400-Y458 HydrophobicContact CG-CE2 4.24Å; R400-Y458 WeakPolarHBondContact CG-OH 3.06Å; R400-Y458 WeakPolarHBondContact O-CE2 3.46Å; R400-E461 IonicContact CZ-OE1 2.63Å; R400-E461 IonicContact NH1-OE1 3.4Å; R400-E461 PolarHBondContact NH1-OE1 2.95Å; R400-E461 IonicContact NH2-OE1 3.85Å; R400-E461 PolarHBondContact NH2-OE1 3.28Å
401	K	96.8	Very high	95.3	Very high	37 Å²	37	51.4 Å²	51.4	16%	0.161	27%	0.271	C	S	.	.			trans	-125.1	153.3	-179.6	-62.8	179.4	-67.3	-177.5	0	108.9	D304 S403 N404 D405 Y458	D304-K401 IonicContact OD2-NZ 3.26Å; D304-K401 PolarHBondContact OD2-NZ 2.89Å; K401-S403 PolarHBondContact O-N 3.3Å; K401-N404 PolarHBondContact N-OD1 3.14Å; K401-N404 PolarHBondContact O-N 3.21Å; K401-N404 PolarHBondContact O-OD1 2.99Å; K401-D405 WeakPolarHBondContact O-CB 3.37Å; K401-D405 PolarHBondContact O-N 3.15Å; K401-Y458 PolarHBondContact O-OH 2.98Å
402	V	96	Very high	95.4	Very high	100 Å²	100	47.9 Å²	47.9	61%	0.606	25%	0.254	S	S	*	.	T	Hydrogen-bonded Turn	trans	-51.8	-35.7	174.3	-178.6	0	0	0	0	111.8	D457 Y458	V402-D457 HydrophobicContact CG2-CB 4.29Å; V402-Y458 PolarHBondContact N-OH 3.35Å
403	S	93.8	Very high	95.5	Very high	97 Å²	97	45.8 Å²	45.8	68%	0.678	25%	0.247	S	C	*	.	T	Hydrogen-bonded Turn	trans	-74.7	-21.1	-179.3	57.6	0	0	0	0	115.7	K401	K401-S403 PolarHBondContact O-N 3.3Å
404	N	94.6	Very high	95.7	Very high	21 Å²	21	45.6 Å²	45.6	11%	0.112	25%	0.246	C	C	.	.	T	Hydrogen-bonded Turn	trans	-117.1	-11.4	-178.1	75.4	5	0	0	0	114	H399 K401 A406 K407 R408	H399-N404 PolarHBondContact O-ND2 3.02Å; K401-N404 PolarHBondContact N-OD1 3.14Å; K401-N404 PolarHBondContact O-N 3.21Å; K401-N404 PolarHBondContact O-OD1 2.99Å; N404-A406 PolarHBondContact O-N 2.87Å; N404-K407 PolarHBondContact O-N 3.01Å; N404-R408 HydrophobicContact CB-CG 4Å; N404-R408 VanDerWaalsContact O-CB 3.31Å; N404-R408 WeakPolarHBondContact O-CB 3.33Å; N404-R408 PolarHBondContact O-N 3.22Å
405	D	94.7	Very high	95.8	Very high	36 Å²	36	43.1 Å²	43.1	19%	0.193	23%	0.233	C	C	.	.	H	α-helix	trans	-51.8	-54.7	-174.1	-169.2	28.2	0	0	0	112.6	R400 K401 K407 R408 Y409	R400-D405 IonicContact CZ-OD1 3.46Å; R400-D405 IonicContact CZ-OD2 3.85Å; R400-D405 VanDerWaalsContact NE-CG 3.29Å; R400-D405 IonicContact NE-OD1 2.82Å; R400-D405 PolarHBondContact NE-OD1 3.36Å; R400-D405 IonicContact NE-OD2 2.58Å; R400-D405 PolarHBondContact NE-OD2 3.2Å; R400-D405 IonicContact NH2-OD1 3.3Å; R400-D405 PolarHBondContact NH2-OD1 2.87Å; R400-D405 IonicContact NH2-OD2 3.69Å; R400-D405 PolarHBondContact NH2-OD2 2.93Å; K401-D405 WeakPolarHBondContact O-CB 3.37Å; K401-D405 PolarHBondContact O-N 3.15Å; D405-K407 PolarHBondContact O-N 3.07Å; D405-K407 VanDerWaalsContact O-N 3.14Å; D405-R408 PolarHBondContact O-N 2.83Å; D405-Y409 CarbonylContact O-C 3.58Å; D405-Y409 WeakPolarHBondContact O-CA 3.2Å; D405-Y409 PolarHBondContact O-N 3.2Å; D405-Y409 WeakPolarHBondContact OD1-CB 3.49Å
406	A	92	Very high	95.9	Very high	85 Å²	85	42.6 Å²	42.6	70%	0.702	23%	0.229	S	C	*	.	H	α-helix	trans	-63.5	-22	-178.9	0	0	0	0	0	114	N404 T410	N404-A406 PolarHBondContact O-N 2.87Å; A406-T410 WeakPolarHBondContact O-CG2 3.41Å
407	K	89.8	Confident	96	Very high	104 Å²	104	40.6 Å²	40.6	45%	0.452	22%	0.219	S	C	.	.	H	α-helix	trans	-102	-19.6	-177.2	-62.7	-173.4	172.5	-166.4	0	113.9	E332 D333 N404 D405	E332-K407 PolarHBondContact O-NZ 2.94Å; D333-K407 WeakPolarHBondContact OD1-CD 3.49Å; D333-K407 WeakPolarHBondContact OD1-CE 3.29Å; D333-K407 IonicContact OD1-NZ 2.91Å; N404-K407 PolarHBondContact O-N 3.01Å; D405-K407 PolarHBondContact O-N 3.07Å; D405-K407 VanDerWaalsContact O-N 3.14Å
408	R	93.4	Very high	95.9	Very high	16 Å²	16	40.6 Å²	40.6	6%	0.06	22%	0.219	C	C	.	.	H	α-helix	trans	-124	-37	-169.8	-64.2	-62.9	-177.1	-88	-7.5	112.5	D305 D333 L394 N404 D405	D305-R408 IonicContact OD1-CZ 3.45Å; D305-R408 IonicContact OD1-NE 3.52Å; D305-R408 PolarHBondContact OD1-NE 3.21Å; D305-R408 IonicContact OD1-NH2 3.49Å; D305-R408 PolarHBondContact OD1-NH2 3.47Å; D305-R408 IonicContact OD2-CZ 3.47Å; D305-R408 IonicContact OD2-NE 3.85Å; D305-R408 IonicContact OD2-NH2 2.73Å; D305-R408 PolarHBondContact OD2-NH2 3.22Å; D333-R408 PolarHBondContact O-NH1 2.83Å; D333-R408 PolarHBondContact O-NH2 3.24Å; L394-R408 WeakPolarHBondContact CD1-O 3.09Å; L394-R408 HydrophobicContact CD2-CB 3.92Å; N404-R408 HydrophobicContact CB-CG 4Å; N404-R408 VanDerWaalsContact O-CB 3.31Å; N404-R408 WeakPolarHBondContact O-CB 3.33Å; N404-R408 PolarHBondContact O-N 3.22Å; D405-R408 PolarHBondContact O-N 2.83Å
409	Y	95.6	Very high	95.8	Very high	7 Å²	7	40.7 Å²	40.7	3%	0.027	22%	0.219	C	C	.	.			trans	-114.9	42.9	-168.8	-64.5	-77.3	0	0	0	112.1	L394 G398 H399 R400 D405 R412 L414 T449 A451	L394-Y409 HydrophobicContact CD2-CD1 4.48Å; L394-Y409 HydrophobicContact CD2-CE1 3.88Å; L394-Y409 HydrophobicContact CD2-CE2 4.34Å; G398-Y409 WeakPolarHBondContact CA-OH 3.46Å; H399-Y409 PolarHBondContact N-OH 2.77Å; R400-Y409 VanDerWaalsContact CA-CE2 3.4Å; R400-Y409 HydrophobicContact CB-CD1 4.4Å; R400-Y409 HydrophobicContact CB-CD2 3.71Å; R400-Y409 HydrophobicContact CB-CE1 4.39Å; R400-Y409 HydrophobicContact CB-CE2 3.71Å; R400-Y409 HydrophobicContact CB-CG 4.07Å; R400-Y409 HydrophobicContact CG-CD2 3.84Å; R400-Y409 HydrophobicContact CG-CE2 4.33Å; R400-Y409 HydrophobicContact CG-CG 4.09Å; D405-Y409 CarbonylContact O-C 3.58Å; D405-Y409 WeakPolarHBondContact O-CA 3.2Å; D405-Y409 PolarHBondContact O-N 3.2Å; D405-Y409 WeakPolarHBondContact OD1-CB 3.49Å; Y409-R412 PolarHBondContact O-NH1 3.24Å; Y409-L414 HydrophobicContact CD1-CD1 3.89Å; Y409-T449 HydrophobicContact CD1-CG2 4.04Å; Y409-T449 HydrophobicContact CE1-CG2 4.36Å; Y409-A451 HydrophobicContact CD1-CB 3.89Å; Y409-A451 HydrophobicContact CE1-CB 3.49Å; Y409-A451 VanDerWaalsContact CE1-CB 3.49Å
410	T	93.7	Very high	95.7	Very high	95 Å²	95	43.8 Å²	43.8	58%	0.583	24%	0.243	S	C	*	.			trans	-86.6	-26.9	176.7	55.7	0	0	0	0	113.3	A406 R412	A406-T410 WeakPolarHBondContact O-CG2 3.41Å; T410-R412 PolarHBondContact O-NH1 3.07Å
411	R	95.1	Very high	95.7	Very high	138 Å²	138	44 Å²	44	52%	0.521	25%	0.245	S	C	.	.	S	Bend	trans	-64.4	142.4	177.9	-176.3	174.4	171.4	-167.5	-5.9	110.9	E447	R411-E447 PolarHBondContact NH2-O 2.78Å
412	R	96.9	Very high	95.6	Very high	70 Å²	70	45.2 Å²	45.2	26%	0.264	25%	0.254	S	S	.	.	S	Bend	trans	-125	157.1	176.4	-61.4	-70.3	174.5	-88.3	2.1	109	Y409 T410 L479 E481	Y409-R412 PolarHBondContact O-NH1 3.24Å; T410-R412 PolarHBondContact O-NH1 3.07Å; R412-L479 WeakPolarHBondContact CD-O 3.49Å; R412-E481 HydrophobicContact CB-CB 4.27Å; R412-E481 HydrophobicContact CB-CG 3.58Å
413	P	98.1	Very high	95.5	Very high	12 Å²	12	42.3 Å²	42.3	8%	0.078	23%	0.233	C	C	.	.	S	Bend	cis	-61.4	139.7	-11.9	-22.5	34.8	0	0	0	112.6	Y448 T449 I478 L479 F505	P413-Y448 HydrophobicContact CB-CD1 3.98Å; P413-Y448 HydrophobicContact CB-CE1 4.23Å; P413-Y448 HydrophobicContact CB-CG 4.37Å; P413-Y448 HydrophobicContact CG-CD1 3.78Å; P413-Y448 HydrophobicContact CG-CE1 3.68Å; P413-T449 PolarHBondContact O-N 2.81Å; P413-I478 HydrophobicContact CB-CG2 4.08Å; P413-L479 CarbonylContact C-O 3.6Å; P413-L479 VanDerWaalsContact CA-O 3.31Å; P413-L479 WeakPolarHBondContact CA-O 3.23Å; P413-F505 HydrophobicContact CB-CE1 3.7Å; P413-F505 HydrophobicContact CB-CZ 4Å; P413-F505 HydrophobicContact CG-CE1 3.65Å; P413-F505 HydrophobicContact CG-CZ 3.97Å
414	L	98.6	Very high	95.6	Very high	0 Å²	0	39.9 Å²	39.9	0%	0	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.8	113.2	176.2	176.5	65.2	0	0	0	109	Y409 V416 T449 A451 I478 L479	Y409-L414 HydrophobicContact CD1-CD1 3.89Å; L414-V416 HydrophobicContact CD1-CG2 4.37Å; L414-V416 HydrophobicContact CD2-CG2 3.79Å; L414-V416 HydrophobicContact CG-CG2 3.62Å; L414-T449 WeakPolarHBondContact CA-O 3.43Å; L414-T449 HydrophobicContact CD1-CG2 3.58Å; L414-A451 HydrophobicContact CD1-CB 4.26Å; L414-I478 WeakPolarHBondContact O-CA 3.49Å; L414-L479 HydrophobicContact CB-CB 4.36Å; L414-L479 HydrophobicContact CD2-CD1 4.2Å; L414-L479 PolarHBondContact N-O 3.16Å; L414-L479 PolarHBondContact O-N 2.93Å
415	V	98.8	Very high	95.4	Very high	0 Å²	0	46.7 Å²	46.7	0%	0	25%	0.245	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.2	119.7	172.2	-168.2	0	0	0	0	108	Y448 T449 F450 A451 A477 I478 L498 V502	V415-Y448 HydrophobicContact CG2-CD2 4.4Å; V415-T449 PolarHBondContact N-O 3.17Å; V415-F450 HydrophobicContact CB-CD1 3.6Å; V415-F450 HydrophobicContact CB-CE1 3.67Å; V415-F450 HydrophobicContact CB-CG 4.07Å; V415-F450 HydrophobicContact CB-CZ 4.17Å; V415-F450 HydrophobicContact CG1-CD1 3.81Å; V415-F450 HydrophobicContact CG1-CE1 3.66Å; V415-F450 HydrophobicContact CG1-CZ 4.47Å; V415-F450 HydrophobicContact CG2-CD1 4.09Å; V415-F450 HydrophobicContact CG2-CD2 4.42Å; V415-F450 HydrophobicContact CG2-CE1 3.74Å; V415-F450 HydrophobicContact CG2-CE2 4.08Å; V415-F450 HydrophobicContact CG2-CG 4.42Å; V415-F450 HydrophobicContact CG2-CZ 3.73Å; V415-F450 WeakPolarHBondContact O-CA 3.5Å; V415-A451 PolarHBondContact O-N 2.82Å; V415-A477 WeakPolarHBondContact CA-O 3.47Å; V415-I478 HydrophobicContact CB-CG1 4.46Å; V415-I478 HydrophobicContact CG1-CG1 4.2Å; V415-I478 HydrophobicContact CG2-CG1 4.1Å; V415-L498 HydrophobicContact CG1-CD1 4.34Å; V415-V502 HydrophobicContact CG1-CG2 4.06Å; V415-V502 HydrophobicContact CG2-CG2 4.27Å
416	V	98.5	Very high	95.3	Very high	0 Å²	0	51.1 Å²	51.1	0%	0	27%	0.269	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.4	132.6	-179.6	-167.9	0	0	0	0	109.5	L414 Y418 A451 A453 A476 A477	L414-V416 HydrophobicContact CD1-CG2 4.37Å; L414-V416 HydrophobicContact CD2-CG2 3.79Å; L414-V416 HydrophobicContact CG-CG2 3.62Å; V416-Y418 HydrophobicContact CB-CE1 4.31Å; V416-Y418 HydrophobicContact CB-CE2 3.82Å; V416-Y418 WeakPolarHBondContact CB-OH 3.49Å; V416-Y418 HydrophobicContact CG1-CD1 4.05Å; V416-Y418 HydrophobicContact CG1-CD2 4.31Å; V416-Y418 HydrophobicContact CG1-CE1 3.52Å; V416-Y418 HydrophobicContact CG1-CE2 3.82Å; V416-Y418 HydrophobicContact CG1-CG 4.4Å; V416-A451 WeakPolarHBondContact CA-O 3.14Å; V416-A453 HydrophobicContact CG1-CB 3.61Å; V416-A476 CarbonylContact O-C 3.53Å; V416-A476 VanDerWaalsContact O-CA 3.3Å; V416-A476 WeakPolarHBondContact O-CA 3.15Å; V416-A477 PolarHBondContact N-O 3.2Å; V416-A477 PolarHBondContact O-N 3.3Å
417	V	98.2	Very high	95.5	Very high	0 Å²	0	54.1 Å²	54.1	0%	0	26%	0.263	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112	120.6	170.7	-174	0	0	0	0	108.5	Y419 V438 A451 I452 A453 V474 N475 A476 F493 L498	V417-Y419 HydrophobicContact CG1-CD1 3.97Å; V417-Y419 HydrophobicContact CG1-CE1 4.18Å; V417-V438 HydrophobicContact CB-CG2 4Å; V417-V438 HydrophobicContact CG1-CG2 4.26Å; V417-V438 HydrophobicContact CG2-CG1 4.23Å; V417-V438 HydrophobicContact CG2-CG2 3.64Å; V417-A451 PolarHBondContact N-O 3.48Å; V417-I452 WeakPolarHBondContact O-CA 3.4Å; V417-A453 PolarHBondContact O-N 3.11Å; V417-V474 HydrophobicContact CG1-CG1 3.5Å; V417-N475 CarbonylContact C-O 3.44Å; V417-N475 WeakPolarHBondContact CA-O 3.43Å; V417-A476 HydrophobicContact CG2-CB 4.13Å; V417-F493 HydrophobicContact CG1-CE1 4.41Å; V417-F493 HydrophobicContact CG1-CE2 3.71Å; V417-F493 HydrophobicContact CG1-CZ 3.61Å; V417-F493 HydrophobicContact CG2-CE2 4.24Å; V417-F493 HydrophobicContact CG2-CZ 4.14Å; V417-L498 HydrophobicContact CG2-CD1 4.43Å; V417-L498 HydrophobicContact CG2-CD2 4.31Å
418	Y	96.6	Very high	95.6	Very high	0 Å²	0	55.8 Å²	55.8	0%	0	27%	0.266	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.8	127.5	-177.2	-52.4	-88.7	0	0	0	110.1	V416 A453 Y458 E461 V462 L465 V474 N475 A477	V416-Y418 HydrophobicContact CB-CE1 4.31Å; V416-Y418 HydrophobicContact CB-CE2 3.82Å; V416-Y418 WeakPolarHBondContact CB-OH 3.49Å; V416-Y418 HydrophobicContact CG1-CD1 4.05Å; V416-Y418 HydrophobicContact CG1-CD2 4.31Å; V416-Y418 HydrophobicContact CG1-CE1 3.52Å; V416-Y418 HydrophobicContact CG1-CE2 3.82Å; V416-Y418 HydrophobicContact CG1-CG 4.4Å; Y418-A453 WeakPolarHBondContact CA-O 3.18Å; Y418-A453 HydrophobicContact CD1-CB 3.81Å; Y418-A453 HydrophobicContact CE1-CB 3.94Å; Y418-Y458 HydrophobicContact CE1-CG 4.15Å; Y418-E461 PolarHBondContact OH-OE1 2.73Å; Y418-V462 HydrophobicContact CD1-CG2 3.72Å; Y418-V462 HydrophobicContact CD2-CG2 4.19Å; Y418-V462 HydrophobicContact CE1-CG2 4.19Å; Y418-V462 HydrophobicContact CG-CG2 3.73Å; Y418-L465 HydrophobicContact CE2-CD1 3.99Å; Y418-V474 WeakPolarHBondContact O-CA 3.39Å; Y418-N475 PolarHBondContact N-O 3.31Å; Y418-N475 PolarHBondContact O-N 3.41Å; Y418-A477 HydrophobicContact CE2-CB 4.01Å
419	Y	95.7	Very high	95.8	Very high	4 Å²	4	58.7 Å²	58.7	2%	0.016	29%	0.294	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-165.4	179.6	173	57.4	-83	0	0	0	107.4	V417 V421 T431 W434 R435 I452 A453 D454 E455 D473 V474	V417-Y419 HydrophobicContact CG1-CD1 3.97Å; V417-Y419 HydrophobicContact CG1-CE1 4.18Å; Y419-V421 HydrophobicContact CD1-CG2 4.46Å; Y419-V421 HydrophobicContact CD2-CG2 4.07Å; Y419-V421 HydrophobicContact CE1-CG2 4.19Å; Y419-V421 HydrophobicContact CE2-CG2 3.73Å; Y419-V421 HydrophobicContact CG-CG2 4.42Å; Y419-V421 PolarHBondContact O-N 2.95Å; Y419-T431 HydrophobicContact CE2-CG2 4.31Å; Y419-T431 PolarHBondContact OH-O 2.86Å; Y419-W434 HydrophobicContact CD1-CB 4.3Å; Y419-W434 HydrophobicContact CD2-CB 4.25Å; Y419-W434 AromaticContact CD2-CD1 3.77Å; Y419-W434 HydrophobicContact CD2-CG 4.29Å; Y419-W434 HydrophobicContact CE1-CB 3.86Å; Y419-W434 HydrophobicContact CE2-CB 3.81Å; Y419-W434 AromaticContact CE2-CD1 3.96Å; Y419-W434 HydrophobicContact CE2-CG 4.27Å; Y419-W434 HydrophobicContact CG-CB 4.48Å; Y419-R435 PolarHBondContact OH-N 2.88Å; Y419-I452 HydrophobicContact CE1-CB 3.85Å; Y419-I452 HydrophobicContact CE1-CG2 3.72Å; Y419-I452 WeakPolarHBondContact OH-CD1 3.23Å; Y419-I452 WeakPolarHBondContact OH-CG2 3.39Å; Y419-A453 PolarHBondContact N-O 3.39Å; Y419-D454 WeakPolarHBondContact O-CA 3.42Å; Y419-E455 PolarHBondContact O-N 3.02Å; Y419-E455 VanDerWaalsContact O-N 3.13Å; Y419-D473 WeakPolarHBondContact CB-O 3.39Å; Y419-V474 HydrophobicContact CD1-CG1 4.29Å
420	S	95.1	Very high	95.8	Very high	90 Å²	90	61.1 Å²	61.1	63%	0.629	32%	0.315	S	S	*	.			trans	-66.1	108.2	172.8	-52.5	0	0	0	0	111.1
421	V	97.3	Very high	95.9	Very high	11 Å²	11	56.7 Å²	56.7	7%	0.067	29%	0.288	C	S	.	.			trans	-102.8	100.7	-177.7	178.3	0	0	0	0	109.7	Y419 F423 T431 I452 A453 D454	Y419-V421 HydrophobicContact CD1-CG2 4.46Å; Y419-V421 HydrophobicContact CD2-CG2 4.07Å; Y419-V421 HydrophobicContact CE1-CG2 4.19Å; Y419-V421 HydrophobicContact CE2-CG2 3.73Å; Y419-V421 HydrophobicContact CG-CG2 4.42Å; Y419-V421 PolarHBondContact O-N 2.95Å; V421-F423 HydrophobicContact CG1-CD2 4.28Å; V421-F423 HydrophobicContact CG1-CE2 3.82Å; V421-T431 HydrophobicContact CG1-CG2 3.89Å; V421-I452 HydrophobicContact CG1-CD1 3.86Å; V421-I452 HydrophobicContact CG1-CG1 4.43Å; V421-I452 HydrophobicContact CG2-CB 4.29Å; V421-I452 HydrophobicContact CG2-CD1 4.21Å; V421-I452 HydrophobicContact CG2-CG1 4.38Å; V421-A453 WeakPolarHBondContact CG2-O 3.38Å; V421-D454 HydrophobicContact CB-CB 4.12Å; V421-D454 PolarHBondContact N-OD2 3.07Å
422	D	95.7	Very high	96	Very high	63 Å²	63	52.4 Å²	52.4	34%	0.337	27%	0.274	S	S	.	.			trans	-130.9	123.2	174.1	-173.2	4.7	0	0	0	112	S424 Y427 R428 T431	D422-S424 WeakPolarHBondContact OD1-CB 3.28Å; D422-S424 PolarHBondContact OD1-N 3.45Å; D422-S424 PolarHBondContact OD1-OG 2.77Å; D422-S424 WeakPolarHBondContact OD2-CB 3.48Å; D422-S424 PolarHBondContact OD2-OG 3.01Å; D422-Y427 HydrophobicContact CB-CG 4.41Å; D422-Y427 CarbonylContact O-C 3.57Å; D422-Y427 WeakPolarHBondContact OD2-CD2 3.21Å; D422-R428 WeakPolarHBondContact O-CA 3.49Å; D422-R428 PolarHBondContact O-N 2.78Å; D422-T431 PolarHBondContact N-OG1 2.85Å; D422-T431 WeakPolarHBondContact O-CB 3.33Å; D422-T431 PolarHBondContact O-OG1 3.26Å
423	F	94.5	Very high	96	Very high	40 Å²	40	54.2 Å²	54.2	18%	0.175	28%	0.284	C	S	.	.			trans	-95.8	5.8	177.3	-73.6	-76.8	0	0	0	113.6	K362 F363 H399 V421 T431 I452	K362-F423 HydrophobicContact CB-CD1 3.96Å; K362-F423 HydrophobicContact CB-CE1 4.1Å; K362-F423 HydrophobicContact CD-CB 4.23Å; K362-F423 HydrophobicContact CD-CD1 4.01Å; K362-F423 HydrophobicContact CD-CG 4.01Å; K362-F423 HydrophobicContact CG-CD1 4.24Å; K362-F423 HydrophobicContact CG-CE1 4.35Å; F363-F423 HydrophobicContact CD1-CZ 4.23Å; F363-F423 HydrophobicContact CE1-CE1 4.36Å; F363-F423 AromaticContact CE1-CE2 3.72Å; F363-F423 HydrophobicContact CE1-CE2 3.72Å; F363-F423 AromaticContact CE1-CZ 3.57Å; F363-F423 HydrophobicContact CE1-CZ 3.57Å; F363-F423 HydrophobicContact CZ-CE2 4.22Å; F363-F423 HydrophobicContact CZ-CZ 4.45Å; H399-F423 HydrophobicContact CB-CE2 4.17Å; H399-F423 AromaticContact ND1-CE2 3.89Å; V421-F423 HydrophobicContact CG1-CD2 4.28Å; V421-F423 HydrophobicContact CG1-CE2 3.82Å; F423-T431 HydrophobicContact CD1-CG2 4.21Å; F423-T431 HydrophobicContact CD2-CG2 4.39Å; F423-T431 HydrophobicContact CE1-CG2 3.78Å; F423-T431 HydrophobicContact CE2-CG2 3.97Å; F423-T431 HydrophobicContact CZ-CG2 3.65Å; F423-I452 HydrophobicContact CE2-CD1 4.27Å; F423-I452 HydrophobicContact CZ-CD1 3.97Å
424	S	93.9	Very high	96	Very high	46 Å²	46	56.7 Å²	56.7	32%	0.322	29%	0.292	S	S	.	.	S	Bend	trans	-60.6	159.5	171.5	76.4	0	0	0	0	111.2	D422 D426 Y427 R428	D422-S424 WeakPolarHBondContact OD1-CB 3.28Å; D422-S424 PolarHBondContact OD1-N 3.45Å; D422-S424 PolarHBondContact OD1-OG 2.77Å; D422-S424 WeakPolarHBondContact OD2-CB 3.48Å; D422-S424 PolarHBondContact OD2-OG 3.01Å; S424-D426 PolarHBondContact O-N 2.84Å; S424-D426 VanDerWaalsContact O-N 3.15Å; S424-Y427 PolarHBondContact O-N 3.15Å; S424-Y427 WeakPolarHBondContact OG-CD2 3.3Å; S424-R428 VanDerWaalsContact O-CB 3.27Å; S424-R428 WeakPolarHBondContact O-CB 3.26Å; S424-R428 PolarHBondContact O-N 2.74Å
425	F	91	Very high	96	Very high	163 Å²	163	56.8 Å²	56.8	72%	0.715	29%	0.292	S	S	*	.	T	Hydrogen-bonded Turn	trans	-54.5	-39.3	-171.2	178.4	-98.4	0	0	0	113.4
426	D	93.7	Very high	95.9	Very high	130 Å²	130	59.5 Å²	59.5	70%	0.695	31%	0.311	S	S	*	.	T	Hydrogen-bonded Turn	trans	-77.5	-29.2	-174.8	-62.4	-39.6	0	0	0	112.9	S424	S424-D426 PolarHBondContact O-N 2.84Å; S424-D426 VanDerWaalsContact O-N 3.15Å
427	Y	94.7	Very high	95.9	Very high	147 Å²	147	62.8 Å²	62.8	58%	0.576	33%	0.325	S	S	*	.	T	Hydrogen-bonded Turn	trans	-111.6	-13	-172.7	-60.4	-75.8	0	0	0	114.5	D422 S424 A429 A430 T431	D422-Y427 HydrophobicContact CB-CG 4.41Å; D422-Y427 CarbonylContact O-C 3.57Å; D422-Y427 WeakPolarHBondContact OD2-CD2 3.21Å; S424-Y427 PolarHBondContact O-N 3.15Å; S424-Y427 WeakPolarHBondContact OG-CD2 3.3Å; Y427-A429 PolarHBondContact O-N 2.69Å; Y427-A430 PolarHBondContact O-N 2.83Å; Y427-T431 PolarHBondContact O-N 3.04Å
428	R	93.6	Very high	95.9	Very high	139 Å²	139	62.9 Å²	62.9	53%	0.525	33%	0.326	S	S	.	.	H	α-helix	trans	-52.4	-33	-177.9	68.7	-175.9	-173.4	116.4	4.4	114.4	D422 S424 Q432	D422-R428 WeakPolarHBondContact O-CA 3.49Å; D422-R428 PolarHBondContact O-N 2.78Å; S424-R428 VanDerWaalsContact O-CB 3.27Å; S424-R428 WeakPolarHBondContact O-CB 3.26Å; S424-R428 PolarHBondContact O-N 2.74Å; R428-Q432 VanDerWaalsContact O-CB 3.32Å; R428-Q432 WeakPolarHBondContact O-CB 3.4Å; R428-Q432 WeakPolarHBondContact O-CG 3.37Å; R428-Q432 PolarHBondContact O-N 3.36Å
429	A	96	Very high	96	Very high	77 Å²	77	63.2 Å²	63.2	64%	0.636	33%	0.328	S	S	*	.	H	α-helix	trans	-69.1	-40.9	-177.8	0	0	0	0	0	111.5	Y427 F433	Y427-A429 PolarHBondContact O-N 2.69Å; A429-F433 WeakPolarHBondContact O-CB 3.47Å; A429-F433 PolarHBondContact O-N 3.06Å
430	A	95.4	Very high	96.1	Very high	58 Å²	58	65.9 Å²	65.9	48%	0.479	34%	0.34	S	S	.	.	H	α-helix	trans	-66.4	-45.8	175.2	0	0	0	0	0	110.8	Y427 Q432 F433 W434	Y427-A430 PolarHBondContact O-N 2.83Å; A430-Q432 VanDerWaalsContact C-N 3.35Å; A430-Q432 PolarHBondContact O-N 3.48Å; A430-F433 WeakPolarHBondContact O-CB 3.35Å; A430-F433 PolarHBondContact O-N 3.25Å; A430-F433 VanDerWaalsContact O-N 3.17Å; A430-W434 PolarHBondContact O-N 3.16Å
431	T	97	Very high	96.3	Very high	2 Å²	2	61.6 Å²	61.6	1%	0.012	31%	0.31	C	S	.	.	H	α-helix	trans	-58.5	-45.7	176	-59.7	0	0	0	0	112.2	Y419 V421 D422 F423 Y427 F433 R435 I452	Y419-T431 HydrophobicContact CE2-CG2 4.31Å; Y419-T431 PolarHBondContact OH-O 2.86Å; V421-T431 HydrophobicContact CG1-CG2 3.89Å; D422-T431 PolarHBondContact N-OG1 2.85Å; D422-T431 WeakPolarHBondContact O-CB 3.33Å; D422-T431 PolarHBondContact O-OG1 3.26Å; F423-T431 HydrophobicContact CD1-CG2 4.21Å; F423-T431 HydrophobicContact CD2-CG2 4.39Å; F423-T431 HydrophobicContact CE1-CG2 3.78Å; F423-T431 HydrophobicContact CE2-CG2 3.97Å; F423-T431 HydrophobicContact CZ-CG2 3.65Å; Y427-T431 PolarHBondContact O-N 3.04Å; T431-F433 VanDerWaalsContact C-N 3.32Å; T431-F433 PolarHBondContact O-N 3.19Å; T431-R435 VanDerWaalsContact O-CB 3.31Å; T431-R435 WeakPolarHBondContact O-CB 3.18Å; T431-R435 PolarHBondContact O-N 3.49Å; T431-I452 HydrophobicContact CG2-CD1 4.11Å
432	Q	97.4	Very high	96.4	Very high	49 Å²	49	61 Å²	61	23%	0.229	31%	0.307	C	S	.	.	H	α-helix	trans	-68.6	-29.5	178.8	-71.3	-69.1	-0.7	0	0	113.2	K362 R428 A430 S436	K362-Q432 PolarHBondContact O-NE2 2.65Å; R428-Q432 VanDerWaalsContact O-CB 3.32Å; R428-Q432 WeakPolarHBondContact O-CB 3.4Å; R428-Q432 WeakPolarHBondContact O-CG 3.37Å; R428-Q432 PolarHBondContact O-N 3.36Å; A430-Q432 VanDerWaalsContact C-N 3.35Å; A430-Q432 PolarHBondContact O-N 3.48Å; Q432-S436 VanDerWaalsContact O-CB 3.25Å; Q432-S436 WeakPolarHBondContact O-CB 3.36Å; Q432-S436 PolarHBondContact O-N 3.31Å; Q432-S436 PolarHBondContact O-OG 3.45Å
433	F	97.3	Very high	96.5	Very high	107 Å²	107	61.6 Å²	61.6	47%	0.469	31%	0.306	S	S	.	.	H	α-helix	trans	-60.1	-54.3	175.4	173	-97.4	0	0	0	110.8	A429 A430 T431 S436 K437	A429-F433 WeakPolarHBondContact O-CB 3.47Å; A429-F433 PolarHBondContact O-N 3.06Å; A430-F433 WeakPolarHBondContact O-CB 3.35Å; A430-F433 PolarHBondContact O-N 3.25Å; A430-F433 VanDerWaalsContact O-N 3.17Å; T431-F433 VanDerWaalsContact C-N 3.32Å; T431-F433 PolarHBondContact O-N 3.19Å; F433-S436 WeakPolarHBondContact O-CB 3.21Å; F433-S436 PolarHBondContact O-N 2.86Å; F433-K437 PolarHBondContact O-N 3.34Å
434	W	96.8	Very high	96.6	Very high	65 Å²	65	63.1 Å²	63.1	25%	0.246	32%	0.316	C	S	.	.	H	α-helix	trans	-66.7	-44.5	178.7	-65.1	124	0	0	0	112.2	Y419 A430 S436 K437 V438 V474 F493	Y419-W434 HydrophobicContact CD1-CB 4.3Å; Y419-W434 HydrophobicContact CD2-CB 4.25Å; Y419-W434 AromaticContact CD2-CD1 3.77Å; Y419-W434 HydrophobicContact CD2-CG 4.29Å; Y419-W434 HydrophobicContact CE1-CB 3.86Å; Y419-W434 HydrophobicContact CE2-CB 3.81Å; Y419-W434 AromaticContact CE2-CD1 3.96Å; Y419-W434 HydrophobicContact CE2-CG 4.27Å; Y419-W434 HydrophobicContact CG-CB 4.48Å; A430-W434 PolarHBondContact O-N 3.16Å; W434-S436 PolarHBondContact O-N 2.78Å; W434-K437 HydrophobicContact CE3-CG 4.4Å; W434-K437 WeakPolarHBondContact O-CA 3.45Å; W434-K437 WeakPolarHBondContact O-CB 3.04Å; W434-K437 PolarHBondContact O-N 3.42Å; W434-V438 WeakPolarHBondContact O-CG2 3.38Å; W434-V438 PolarHBondContact O-N 3.17Å; W434-V438 VanDerWaalsContact O-N 3.13Å; W434-V474 HydrophobicContact CD2-CG2 3.7Å; W434-V474 VanDerWaalsContact CE2-CG2 3.49Å; W434-V474 HydrophobicContact CE3-CG2 4Å; W434-V474 HydrophobicContact CG-CG2 4.27Å; W434-V474 HydrophobicContact CH2-CG2 3.93Å; W434-V474 HydrophobicContact CZ2-CG2 3.62Å; W434-V474 HydrophobicContact CZ3-CG2 4.12Å; W434-F493 AromaticContact CE3-CD1 3.73Å; W434-F493 HydrophobicContact CE3-CD1 3.73Å; W434-F493 HydrophobicContact CE3-CE1 4.03Å; W434-F493 AromaticContact CZ3-CD1 3.66Å; W434-F493 HydrophobicContact CZ3-CD1 3.66Å; W434-F493 HydrophobicContact CZ3-CE1 4.39Å
435	R	98	Very high	96.8	Very high	2 Å²	2	61.5 Å²	61.5	1%	0.008	30%	0.304	C	S	.	.	H	α-helix	trans	-54.2	-39.2	173.7	-174	179.5	171.2	-93.8	-11.2	112.5	K362 F363 Q364 V397 Y419 T431 K437 V438 L439 I452	K362-R435 PolarHBondContact O-NH1 2.98Å; F363-R435 VanDerWaalsContact C-NH2 3.29Å; F363-R435 PolarHBondContact O-NH2 3.22Å; Q364-R435 PolarHBondContact O-NH1 2.89Å; V397-R435 HydrophobicContact CB-CG 4.41Å; V397-R435 HydrophobicContact CG1-CG 3.97Å; V397-R435 PolarHBondContact O-NE 2.95Å; V397-R435 PolarHBondContact O-NH2 3.38Å; Y419-R435 PolarHBondContact OH-N 2.88Å; T431-R435 VanDerWaalsContact O-CB 3.31Å; T431-R435 WeakPolarHBondContact O-CB 3.18Å; T431-R435 PolarHBondContact O-N 3.49Å; R435-K437 VanDerWaalsContact C-N 3.33Å; R435-K437 PolarHBondContact O-N 2.72Å; R435-V438 PolarHBondContact O-N 3.02Å; R435-L439 HydrophobicContact CG-CD1 4.4Å; R435-L439 WeakPolarHBondContact O-CG 3.44Å; R435-L439 PolarHBondContact O-N 3.39Å; R435-I452 HydrophobicContact CB-CD1 4.25Å; R435-I452 HydrophobicContact CB-CG2 4.46Å; R435-I452 HydrophobicContact CG-CD1 4.28Å; R435-I452 HydrophobicContact CG-CG2 4.47Å
436	S	98.1	Very high	97	Very high	56 Å²	56	58.3 Å²	58.3	39%	0.392	30%	0.299	S	S	.	.	H	α-helix	trans	-64.2	-37.3	176.8	-62.6	0	0	0	0	112.1	Q432 F433 W434 V438 L439 E440	Q432-S436 VanDerWaalsContact O-CB 3.25Å; Q432-S436 WeakPolarHBondContact O-CB 3.36Å; Q432-S436 PolarHBondContact O-N 3.31Å; Q432-S436 PolarHBondContact O-OG 3.45Å; F433-S436 WeakPolarHBondContact O-CB 3.21Å; F433-S436 PolarHBondContact O-N 2.86Å; W434-S436 PolarHBondContact O-N 2.78Å; S436-V438 VanDerWaalsContact C-N 3.33Å; S436-V438 PolarHBondContact O-N 3.04Å; S436-L439 WeakPolarHBondContact O-CB 3.49Å; S436-L439 PolarHBondContact O-N 3.46Å; S436-E440 PolarHBondContact O-N 2.93Å
437	K	98	Very high	97.1	Very high	70 Å²	70	55.2 Å²	55.2	30%	0.304	28%	0.28	S	S	.	.	H	α-helix	trans	-62.9	-39.5	173.8	-63.5	-70.1	-171.9	165.7	0	112.1	F433 W434 R435 F493 S495	F433-K437 PolarHBondContact O-N 3.34Å; W434-K437 HydrophobicContact CE3-CG 4.4Å; W434-K437 WeakPolarHBondContact O-CA 3.45Å; W434-K437 WeakPolarHBondContact O-CB 3.04Å; W434-K437 PolarHBondContact O-N 3.42Å; R435-K437 VanDerWaalsContact C-N 3.33Å; R435-K437 PolarHBondContact O-N 2.72Å; K437-F493 HydrophobicContact CB-CE1 4.23Å; K437-S495 VanDerWaalsContact CA-OG 3.28Å; K437-S495 WeakPolarHBondContact CA-OG 3.45Å; K437-S495 WeakPolarHBondContact CD-OG 3.21Å; K437-S495 PolarHBondContact O-OG 3.09Å
438	V	98.6	Very high	97.2	Very high	1 Å²	1	49.8 Å²	49.8	1%	0.006	26%	0.259	C	S	.	.	H	α-helix	trans	-66.9	-41.9	175.5	-172.4	0	0	0	0	111.2	V397 V417 W434 R435 S436 E440 V441 A442 F450 I452 F493 L498	V397-V438 HydrophobicContact CG1-CB 4.17Å; V397-V438 HydrophobicContact CG1-CG1 3.92Å; V397-V438 HydrophobicContact CG2-CB 4.27Å; V397-V438 HydrophobicContact CG2-CG1 3.82Å; V417-V438 HydrophobicContact CB-CG2 4Å; V417-V438 HydrophobicContact CG1-CG2 4.26Å; V417-V438 HydrophobicContact CG2-CG1 4.23Å; V417-V438 HydrophobicContact CG2-CG2 3.64Å; W434-V438 WeakPolarHBondContact O-CG2 3.38Å; W434-V438 PolarHBondContact O-N 3.17Å; W434-V438 VanDerWaalsContact O-N 3.13Å; R435-V438 PolarHBondContact O-N 3.02Å; S436-V438 VanDerWaalsContact C-N 3.33Å; S436-V438 PolarHBondContact O-N 3.04Å; V438-E440 VanDerWaalsContact C-N 3.3Å; V438-E440 PolarHBondContact O-N 3.08Å; V438-V441 PolarHBondContact O-N 2.83Å; V438-A442 PolarHBondContact O-N 3.35Å; V438-F450 HydrophobicContact CG1-CB 4.41Å; V438-F450 HydrophobicContact CG1-CD1 3.83Å; V438-I452 HydrophobicContact CG2-CG2 4.29Å; V438-F493 HydrophobicContact CG2-CZ 4.34Å; V438-L498 HydrophobicContact CB-CD2 4.36Å; V438-L498 HydrophobicContact CG1-CD2 4.17Å; V438-L498 HydrophobicContact CG2-CD2 4.26Å
439	L	98.6	Very high	97.4	Very high	8 Å²	8	43.7 Å²	43.7	4%	0.042	24%	0.238	C	C	.	.	H	α-helix	trans	-58.6	-38.3	177.7	-82.1	165.9	0	0	0	113.1	Y367 L396 V397 R435 S436 V441 A442 K443	Y367-L439 HydrophobicContact CD2-CB 4.05Å; Y367-L439 HydrophobicContact CE2-CB 4.15Å; L396-L439 HydrophobicContact CB-CD2 4.04Å; L396-L439 HydrophobicContact CD2-CD2 3.86Å; L396-L439 HydrophobicContact CG-CD2 4.06Å; V397-L439 HydrophobicContact CB-CD2 3.95Å; V397-L439 HydrophobicContact CB-CG 4.07Å; V397-L439 HydrophobicContact CG2-CB 4.45Å; V397-L439 HydrophobicContact CG2-CD2 3.63Å; V397-L439 HydrophobicContact CG2-CG 3.79Å; R435-L439 HydrophobicContact CG-CD1 4.4Å; R435-L439 WeakPolarHBondContact O-CG 3.44Å; R435-L439 PolarHBondContact O-N 3.39Å; S436-L439 WeakPolarHBondContact O-CB 3.49Å; S436-L439 PolarHBondContact O-N 3.46Å; L439-V441 PolarHBondContact O-N 2.86Å; L439-A442 PolarHBondContact O-N 3.15Å; L439-K443 PolarHBondContact O-N 3.22Å
440	E	98.4	Very high	97.6	Very high	59 Å²	59	40.2 Å²	40.2	28%	0.276	21%	0.208	S	C	.	.	H	α-helix	trans	-57.8	-28.8	174.6	-68.3	-56.5	142.7	0	0	112.6	K366 Y367 S436 V438 K443 R499	K366-E440 IonicContact NZ-OE1 2.66Å; Y367-E440 PolarHBondContact OH-OE1 2.66Å; Y367-E440 PolarHBondContact OH-OE2 2.95Å; S436-E440 PolarHBondContact O-N 2.93Å; V438-E440 VanDerWaalsContact C-N 3.3Å; V438-E440 PolarHBondContact O-N 3.08Å; E440-K443 VanDerWaalsContact O-CE 3.24Å; E440-K443 WeakPolarHBondContact O-CE 3.49Å; E440-R499 PolarHBondContact O-NH2 3.37Å
441	V	98.7	Very high	97.7	Very high	0 Å²	0	37.5 Å²	37.5	0%	0	19%	0.185	C	C	.	.	H	α-helix	trans	-91.1	-49.3	178.3	-173.6	0	0	0	0	110.8	V438 L439 K443 D444 F445 F450 S495 L498 R499 V502	V438-V441 PolarHBondContact O-N 2.83Å; L439-V441 PolarHBondContact O-N 2.86Å; V441-K443 PolarHBondContact O-N 2.8Å; V441-K443 VanDerWaalsContact O-N 3.12Å; V441-D444 PolarHBondContact O-N 3.18Å; V441-F445 HydrophobicContact CG1-CD2 3.95Å; V441-F445 HydrophobicContact CG1-CE2 3.8Å; V441-F445 WeakPolarHBondContact O-CD2 3.37Å; V441-F450 HydrophobicContact CG1-CE1 4.29Å; V441-F450 HydrophobicContact CG1-CZ 4.43Å; V441-S495 WeakPolarHBondContact CG2-O 3.46Å; V441-L498 HydrophobicContact CB-CD2 4.05Å; V441-L498 HydrophobicContact CB-CG 4.31Å; V441-L498 HydrophobicContact CG1-CD2 4.47Å; V441-L498 HydrophobicContact CG1-CG 4.25Å; V441-L498 HydrophobicContact CG2-CB 4.1Å; V441-L498 HydrophobicContact CG2-CD2 3.84Å; V441-L498 HydrophobicContact CG2-CG 4.01Å; V441-R499 HydrophobicContact CG1-CB 4.11Å; V441-R499 HydrophobicContact CG2-CB 4.15Å; V441-V502 HydrophobicContact CG1-CG2 4.38Å
442	A	98.6	Very high	97.8	Very high	0 Å²	0	37.4 Å²	37.4	0%	0	19%	0.185	C	C	.	.	H	α-helix	trans	-53.9	-36.9	-174.6	0	0	0	0	0	113.3	L396 V397 V438 L439 D444 F445 F450	L396-A442 HydrophobicContact CD1-CB 4.08Å; L396-A442 HydrophobicContact CD2-CB 4.39Å; L396-A442 HydrophobicContact CG-CB 3.89Å; V397-A442 HydrophobicContact CG2-CB 3.6Å; V438-A442 PolarHBondContact O-N 3.35Å; L439-A442 PolarHBondContact O-N 3.15Å; A442-D444 PolarHBondContact O-N 3.15Å; A442-D444 VanDerWaalsContact O-N 3.1Å; A442-F445 CarbonylContact O-C 3.52Å; A442-F445 PolarHBondContact O-N 2.77Å; A442-F450 HydrophobicContact CB-CB 3.89Å; A442-F450 HydrophobicContact CB-CD1 3.88Å; A442-F450 HydrophobicContact CB-CD2 3.63Å; A442-F450 HydrophobicContact CB-CE1 4.29Å; A442-F450 HydrophobicContact CB-CE2 4.07Å; A442-F450 HydrophobicContact CB-CG 3.53Å; A442-F450 HydrophobicContact CB-CZ 4.38Å
443	K	98	Very high	97.8	Very high	74 Å²	74	35 Å²	35	32%	0.322	17%	0.174	S	C	.	.	T	Hydrogen-bonded Turn	trans	-57.6	-25.1	178	72.3	-178.2	-179.4	56.4	0	114.1	Y367 L396 L439 E440 V441	Y367-K443 HydrophobicContact CD1-CB 4.25Å; Y367-K443 HydrophobicContact CD1-CD 3.45Å; Y367-K443 VanDerWaalsContact CD1-CD 3.45Å; Y367-K443 HydrophobicContact CD1-CG 4.47Å; Y367-K443 HydrophobicContact CD2-CB 4.47Å; Y367-K443 HydrophobicContact CD2-CD 4.19Å; Y367-K443 HydrophobicContact CE1-CD 3.35Å; Y367-K443 HydrophobicContact CE2-CD 4.08Å; Y367-K443 HydrophobicContact CG-CB 4.02Å; Y367-K443 HydrophobicContact CG-CD 3.9Å; L396-K443 HydrophobicContact CD2-CB 4.09Å; L439-K443 PolarHBondContact O-N 3.22Å; E440-K443 VanDerWaalsContact O-CE 3.24Å; E440-K443 WeakPolarHBondContact O-CE 3.49Å; V441-K443 PolarHBondContact O-N 2.8Å; V441-K443 VanDerWaalsContact O-N 3.12Å
444	D	98.1	Very high	97.8	Very high	73 Å²	73	31 Å²	31	39%	0.39	16%	0.157	S	C	.	.	T	Hydrogen-bonded Turn	trans	-95.9	-0.5	-177.1	-57.5	-48.7	0	0	0	112.7	V441 A442 R499	V441-D444 PolarHBondContact O-N 3.18Å; A442-D444 PolarHBondContact O-N 3.15Å; A442-D444 VanDerWaalsContact O-N 3.1Å; D444-R499 IonicContact OD2-CZ 2.75Å; D444-R499 IonicContact OD2-NH1 2.8Å; D444-R499 PolarHBondContact OD2-NH1 3.32Å; D444-R499 IonicContact OD2-NH2 2.76Å; D444-R499 PolarHBondContact OD2-NH2 3.32Å
445	F	97.8	Very high	97.7	Very high	12 Å²	12	30.3 Å²	30.3	5%	0.053	16%	0.156	C	C	.	.			trans	-135.6	59.3	-179.6	-60.5	-84.8	0	0	0	112.3	V441 A442 E447 Y448 F450 R499 V502 K506	V441-F445 HydrophobicContact CG1-CD2 3.95Å; V441-F445 HydrophobicContact CG1-CE2 3.8Å; V441-F445 WeakPolarHBondContact O-CD2 3.37Å; A442-F445 CarbonylContact O-C 3.52Å; A442-F445 PolarHBondContact O-N 2.77Å; F445-E447 VanDerWaalsContact C-OE2 3.28Å; F445-E447 WeakPolarHBondContact CA-OE2 3.46Å; F445-E447 PolarHBondContact O-N 2.88Å; F445-E447 VanDerWaalsContact O-N 3.08Å; F445-Y448 HydrophobicContact CB-CD2 4.04Å; F445-Y448 HydrophobicContact CD1-CD2 4.29Å; F445-Y448 HydrophobicContact CD1-CE2 4.17Å; F445-Y448 HydrophobicContact CG-CD2 4.4Å; F445-Y448 PolarHBondContact O-N 3.41Å; F445-F450 HydrophobicContact CB-CE2 3.79Å; F445-F450 HydrophobicContact CB-CZ 4.03Å; F445-F450 HydrophobicContact CD2-CZ 4.24Å; F445-F450 HydrophobicContact CG-CZ 4.44Å; F445-R499 HydrophobicContact CE2-CG 4.47Å; F445-V502 HydrophobicContact CD1-CG1 3.75Å; F445-V502 HydrophobicContact CD2-CG1 3.81Å; F445-V502 HydrophobicContact CE1-CG1 3.74Å; F445-V502 HydrophobicContact CE2-CB 4.22Å; F445-V502 HydrophobicContact CE2-CG1 3.82Å; F445-V502 HydrophobicContact CG-CG1 3.78Å; F445-V502 HydrophobicContact CZ-CB 4.25Å; F445-V502 HydrophobicContact CZ-CG1 3.78Å; F445-K506 HydrophobicContact CD1-CD 4.24Å; F445-K506 HydrophobicContact CE1-CD 4.03Å
446	P	94.5	Very high	97.5	Very high	95 Å²	95	38 Å²	38	62%	0.617	19%	0.193	S	C	*	.	T	Hydrogen-bonded Turn	trans	-62.1	-15.3	-179.5	28.7	-37.7	0	0	0	114.3	Y448	P446-Y448 VanDerWaalsContact C-N 3.28Å
447	E	95.3	Very high	97.4	Very high	65 Å²	65	39.6 Å²	39.6	30%	0.304	20%	0.197	S	C	.	.	T	Hydrogen-bonded Turn	trans	-71.7	-19.7	172.9	64.2	-92.4	-142	0	0	113.7	R411 F445 K506	R411-E447 PolarHBondContact NH2-O 2.78Å; F445-E447 VanDerWaalsContact C-OE2 3.28Å; F445-E447 WeakPolarHBondContact CA-OE2 3.46Å; F445-E447 PolarHBondContact O-N 2.88Å; F445-E447 VanDerWaalsContact O-N 3.08Å; E447-K506 WeakPolarHBondContact OE1-CE 3.5Å; E447-K506 IonicContact OE1-NZ 3.43Å; E447-K506 PolarHBondContact OE1-NZ 2.96Å
448	Y	97.7	Very high	97.3	Very high	33 Å²	33	37.1 Å²	37.1	13%	0.129	19%	0.185	C	C	.	.	S	Bend	trans	-105.9	153.9	-179.1	-59.9	-19.6	0	0	0	111.5	P413 V415 F445 P446 V502 F505 K506	P413-Y448 HydrophobicContact CB-CD1 3.98Å; P413-Y448 HydrophobicContact CB-CE1 4.23Å; P413-Y448 HydrophobicContact CB-CG 4.37Å; P413-Y448 HydrophobicContact CG-CD1 3.78Å; P413-Y448 HydrophobicContact CG-CE1 3.68Å; V415-Y448 HydrophobicContact CG2-CD2 4.4Å; F445-Y448 HydrophobicContact CB-CD2 4.04Å; F445-Y448 HydrophobicContact CD1-CD2 4.29Å; F445-Y448 HydrophobicContact CD1-CE2 4.17Å; F445-Y448 HydrophobicContact CG-CD2 4.4Å; F445-Y448 PolarHBondContact O-N 3.41Å; P446-Y448 VanDerWaalsContact C-N 3.28Å; Y448-V502 HydrophobicContact CD2-CG1 3.78Å; Y448-V502 HydrophobicContact CE2-CG1 3.78Å; Y448-F505 HydrophobicContact CE2-CD1 4.15Å; Y448-F505 HydrophobicContact CE2-CE1 4.49Å; Y448-K506 HydrophobicContact CE2-CB 4.42Å; Y448-K506 WeakPolarHBondContact OH-CB 3.27Å; Y448-K506 WeakPolarHBondContact OH-CG 3.47Å
449	T	97.8	Very high	97.1	Very high	12 Å²	12	39.6 Å²	39.6	7%	0.074	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.5	132.2	171.4	-53.2	0	0	0	0	108.5	L394 Y409 P413 L414 V415	L394-T449 HydrophobicContact CD1-CG2 3.95Å; Y409-T449 HydrophobicContact CD1-CG2 4.04Å; Y409-T449 HydrophobicContact CE1-CG2 4.36Å; P413-T449 PolarHBondContact O-N 2.81Å; L414-T449 WeakPolarHBondContact CA-O 3.43Å; L414-T449 HydrophobicContact CD1-CG2 3.58Å; V415-T449 PolarHBondContact N-O 3.17Å
450	F	98.6	Very high	96.7	Very high	4 Å²	4	41.5 Å²	41.5	2%	0.018	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.5	138.5	175	-74.4	-105.5	0	0	0	110.8	V397 V415 V438 V441 A442 F445 V502	V397-F450 HydrophobicContact CG2-CB 3.95Å; V415-F450 HydrophobicContact CB-CD1 3.6Å; V415-F450 HydrophobicContact CB-CE1 3.67Å; V415-F450 HydrophobicContact CB-CG 4.07Å; V415-F450 HydrophobicContact CB-CZ 4.17Å; V415-F450 HydrophobicContact CG1-CD1 3.81Å; V415-F450 HydrophobicContact CG1-CE1 3.66Å; V415-F450 HydrophobicContact CG1-CZ 4.47Å; V415-F450 HydrophobicContact CG2-CD1 4.09Å; V415-F450 HydrophobicContact CG2-CD2 4.42Å; V415-F450 HydrophobicContact CG2-CE1 3.74Å; V415-F450 HydrophobicContact CG2-CE2 4.08Å; V415-F450 HydrophobicContact CG2-CG 4.42Å; V415-F450 HydrophobicContact CG2-CZ 3.73Å; V415-F450 WeakPolarHBondContact O-CA 3.5Å; V438-F450 HydrophobicContact CG1-CB 4.41Å; V438-F450 HydrophobicContact CG1-CD1 3.83Å; V441-F450 HydrophobicContact CG1-CE1 4.29Å; V441-F450 HydrophobicContact CG1-CZ 4.43Å; A442-F450 HydrophobicContact CB-CB 3.89Å; A442-F450 HydrophobicContact CB-CD1 3.88Å; A442-F450 HydrophobicContact CB-CD2 3.63Å; A442-F450 HydrophobicContact CB-CE1 4.29Å; A442-F450 HydrophobicContact CB-CE2 4.07Å; A442-F450 HydrophobicContact CB-CG 3.53Å; A442-F450 HydrophobicContact CB-CZ 4.38Å; F445-F450 HydrophobicContact CB-CE2 3.79Å; F445-F450 HydrophobicContact CB-CZ 4.03Å; F445-F450 HydrophobicContact CD2-CZ 4.24Å; F445-F450 HydrophobicContact CG-CZ 4.44Å; F450-V502 HydrophobicContact CE1-CG2 4.13Å; F450-V502 HydrophobicContact CZ-CG1 4.24Å; F450-V502 HydrophobicContact CZ-CG2 4.19Å
451	A	98.6	Very high	96.4	Very high	0 Å²	0	40.1 Å²	40.1	0%	0	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.9	152.9	176.1	0	0	0	0	0	111.6	G398 R400 Y409 L414 V415 V416 V417	G398-A451 CarbonylContact O-C 3.5Å; G398-A451 WeakPolarHBondContact O-CA 3.43Å; R400-A451 HydrophobicContact CB-CB 3.75Å; Y409-A451 HydrophobicContact CD1-CB 3.89Å; Y409-A451 HydrophobicContact CE1-CB 3.49Å; Y409-A451 VanDerWaalsContact CE1-CB 3.49Å; L414-A451 HydrophobicContact CD1-CB 4.26Å; V415-A451 PolarHBondContact O-N 2.82Å; V416-A451 WeakPolarHBondContact CA-O 3.14Å; V417-A451 PolarHBondContact N-O 3.48Å
452	I	98.5	Very high	96.1	Very high	0 Å²	0	40.1 Å²	40.1	0%	0	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.7	145.7	160.1	61.6	170.5	0	0	0	107.8	V397 G398 H399 R400 V417 Y419 V421 F423 T431 R435 V438	V397-I452 HydrophobicContact CG1-CG2 3.83Å; G398-I452 WeakPolarHBondContact O-CG1 3.49Å; G398-I452 PolarHBondContact O-N 3Å; H399-I452 WeakPolarHBondContact CA-O 3.31Å; H399-I452 HydrophobicContact CB-CG1 4.41Å; R400-I452 PolarHBondContact N-O 2.68Å; V417-I452 WeakPolarHBondContact O-CA 3.4Å; Y419-I452 HydrophobicContact CE1-CB 3.85Å; Y419-I452 HydrophobicContact CE1-CG2 3.72Å; Y419-I452 WeakPolarHBondContact OH-CD1 3.23Å; Y419-I452 WeakPolarHBondContact OH-CG2 3.39Å; V421-I452 HydrophobicContact CG1-CD1 3.86Å; V421-I452 HydrophobicContact CG1-CG1 4.43Å; V421-I452 HydrophobicContact CG2-CB 4.29Å; V421-I452 HydrophobicContact CG2-CD1 4.21Å; V421-I452 HydrophobicContact CG2-CG1 4.38Å; F423-I452 HydrophobicContact CE2-CD1 4.27Å; F423-I452 HydrophobicContact CZ-CD1 3.97Å; T431-I452 HydrophobicContact CG2-CD1 4.11Å; R435-I452 HydrophobicContact CB-CD1 4.25Å; R435-I452 HydrophobicContact CB-CG2 4.46Å; R435-I452 HydrophobicContact CG-CD1 4.28Å; R435-I452 HydrophobicContact CG-CG2 4.47Å; V438-I452 HydrophobicContact CG2-CG2 4.29Å
453	A	98.2	Very high	95.7	Very high	0 Å²	0	47 Å²	47	0%	0	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.2	143.9	179.1	0	0	0	0	0	109.4	R400 V416 V417 Y418 Y419 V421 E455 Y458	R400-A453 HydrophobicContact CB-CB 4.3Å; V416-A453 HydrophobicContact CG1-CB 3.61Å; V417-A453 PolarHBondContact O-N 3.11Å; Y418-A453 WeakPolarHBondContact CA-O 3.18Å; Y418-A453 HydrophobicContact CD1-CB 3.81Å; Y418-A453 HydrophobicContact CE1-CB 3.94Å; Y419-A453 PolarHBondContact N-O 3.39Å; V421-A453 WeakPolarHBondContact CG2-O 3.38Å; A453-E455 PolarHBondContact O-N 2.86Å; A453-Y458 HydrophobicContact CB-CD2 3.73Å; A453-Y458 HydrophobicContact CB-CE2 3.92Å; A453-Y458 HydrophobicContact CB-CG 4.46Å
454	D	97.2	Very high	95.2	Very high	23 Å²	23	46.4 Å²	46.4	12%	0.123	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-68.6	130.1	173.6	-170.2	-85.4	0	0	0	110.2	Y419 V421 E456 D457 Y458	Y419-D454 WeakPolarHBondContact O-CA 3.42Å; V421-D454 HydrophobicContact CB-CB 4.12Å; V421-D454 PolarHBondContact N-OD2 3.07Å; D454-E456 VanDerWaalsContact C-N 3.32Å; D454-E456 PolarHBondContact O-N 3.27Å; D454-E456 WeakPolarHBondContact OD1-CA 3.47Å; D454-E456 VanDerWaalsContact OD1-CB 3.29Å; D454-E456 WeakPolarHBondContact OD1-CB 3.17Å; D454-E456 PolarHBondContact OD1-N 3.47Å; D454-D457 HydrophobicContact CB-CB 4.07Å; D454-D457 PolarHBondContact O-N 3Å; D454-D457 PolarHBondContact OD1-N 2.64Å; D454-Y458 WeakPolarHBondContact O-CD2 3.14Å; D454-Y458 PolarHBondContact O-N 3.46Å
455	E	94.7	Very high	94.9	Very high	49 Å²	49	43 Å²	43	23%	0.229	23%	0.234	C	C	.	.	T	Hydrogen-bonded Turn	trans	-64.2	-35.1	-179	175.8	168	-167.1	0	0	112.7	Y419 A453 Y458 A459 V462	Y419-E455 PolarHBondContact O-N 3.02Å; Y419-E455 VanDerWaalsContact O-N 3.13Å; A453-E455 PolarHBondContact O-N 2.86Å; E455-Y458 CarbonylContact O-C 3.57Å; E455-Y458 PolarHBondContact O-N 3.07Å; E455-A459 VanDerWaalsContact O-CA 3.29Å; E455-A459 WeakPolarHBondContact O-CA 3.39Å; E455-A459 PolarHBondContact O-N 2.71Å; E455-V462 HydrophobicContact CG-CG1 4.35Å; E455-V462 HydrophobicContact CG-CG2 4.27Å
456	E	94	Very high	94.3	Very high	164 Å²	164	44.4 Å²	44.4	77%	0.766	25%	0.252	S	S	*	.	T	Hydrogen-bonded Turn	trans	-70.1	-43.8	179.6	-58.9	-171.1	168	0	0	110.7	D454 Y458 A459	D454-E456 VanDerWaalsContact C-N 3.32Å; D454-E456 PolarHBondContact O-N 3.27Å; D454-E456 WeakPolarHBondContact OD1-CA 3.47Å; D454-E456 VanDerWaalsContact OD1-CB 3.29Å; D454-E456 WeakPolarHBondContact OD1-CB 3.17Å; D454-E456 PolarHBondContact OD1-N 3.47Å; E456-Y458 PolarHBondContact O-N 3.13Å; E456-A459 WeakPolarHBondContact O-CB 3.29Å; E456-A459 PolarHBondContact O-N 2.83Å
457	D	96.2	Very high	93.9	Very high	89 Å²	89	40 Å²	40	48%	0.476	22%	0.223	S	C	.	.	T	Hydrogen-bonded Turn	trans	-59	-30.4	175.3	-81.3	-12.3	0	0	0	112.2	V402 D454	V402-D457 HydrophobicContact CG2-CB 4.29Å; D454-D457 HydrophobicContact CB-CB 4.07Å; D454-D457 PolarHBondContact O-N 3Å; D454-D457 PolarHBondContact OD1-N 2.64Å
458	Y	95.6	Very high	93	Very high	18 Å²	18	40 Å²	40	7%	0.071	23%	0.229	C	C	.	.	T	Hydrogen-bonded Turn	trans	-113.1	21.1	-177.4	-72.2	-86	0	0	0	114	R400 K401 V402 Y418 A453 D454 E455 E456 G460 E461 V462	R400-Y458 HydrophobicContact CG-CE2 4.24Å; R400-Y458 WeakPolarHBondContact CG-OH 3.06Å; R400-Y458 WeakPolarHBondContact O-CE2 3.46Å; K401-Y458 PolarHBondContact O-OH 2.98Å; V402-Y458 PolarHBondContact N-OH 3.35Å; Y418-Y458 HydrophobicContact CE1-CG 4.15Å; A453-Y458 HydrophobicContact CB-CD2 3.73Å; A453-Y458 HydrophobicContact CB-CE2 3.92Å; A453-Y458 HydrophobicContact CB-CG 4.46Å; D454-Y458 WeakPolarHBondContact O-CD2 3.14Å; D454-Y458 PolarHBondContact O-N 3.46Å; E455-Y458 CarbonylContact O-C 3.57Å; E455-Y458 PolarHBondContact O-N 3.07Å; E456-Y458 PolarHBondContact O-N 3.13Å; Y458-G460 PolarHBondContact O-N 2.84Å; Y458-E461 WeakPolarHBondContact O-CA 3.21Å; Y458-E461 WeakPolarHBondContact O-CB 3.29Å; Y458-E461 PolarHBondContact O-N 3.39Å; Y458-V462 PolarHBondContact O-N 3.33Å
459	A	93	Very high	91.6	Very high	53 Å²	53	46.6 Å²	46.6	44%	0.438	26%	0.262	S	S	.	.	H	α-helix	trans	-55.3	-35.1	-173.8	0	0	0	0	0	113.8	E455 E456 K463	E455-A459 VanDerWaalsContact O-CA 3.29Å; E455-A459 WeakPolarHBondContact O-CA 3.39Å; E455-A459 PolarHBondContact O-N 2.71Å; E456-A459 WeakPolarHBondContact O-CB 3.29Å; E456-A459 PolarHBondContact O-N 2.83Å; A459-K463 WeakPolarHBondContact O-CB 3.42Å; A459-K463 PolarHBondContact O-N 2.95Å
460	G	91.6	Very high	90	Very high	49 Å²	49	48.3 Å²	48.3	51%	0.505	27%	0.274	S	S	.	.	H	α-helix	trans	-65	-40.5	174.7	0	0	0	0	0	113.2	Y458 D464	Y458-G460 PolarHBondContact O-N 2.84Å; G460-D464 WeakPolarHBondContact O-CB 3.22Å; G460-D464 PolarHBondContact O-N 3.23Å
461	E	92.6	Very high	88.6	Confident	29 Å²	29	51.6 Å²	51.6	14%	0.136	31%	0.309	C	S	.	.	H	α-helix	trans	-71.4	-43.9	176.6	173.7	154.6	78.6	0	0	111.5	R400 Y418 Y458 K463 D464 L465 K485	R400-E461 IonicContact CZ-OE1 2.63Å; R400-E461 IonicContact NH1-OE1 3.4Å; R400-E461 PolarHBondContact NH1-OE1 2.95Å; R400-E461 IonicContact NH2-OE1 3.85Å; R400-E461 PolarHBondContact NH2-OE1 3.28Å; Y418-E461 PolarHBondContact OH-OE1 2.73Å; Y458-E461 WeakPolarHBondContact O-CA 3.21Å; Y458-E461 WeakPolarHBondContact O-CB 3.29Å; Y458-E461 PolarHBondContact O-N 3.39Å; E461-K463 VanDerWaalsContact C-N 3.29Å; E461-K463 PolarHBondContact O-N 3.1Å; E461-D464 PolarHBondContact O-N 2.98Å; E461-L465 HydrophobicContact CG-CD1 3.86Å; E461-L465 HydrophobicContact CG-CG 4.45Å; E461-L465 WeakPolarHBondContact O-CB 3.02Å; E461-L465 WeakPolarHBondContact O-CD1 3.5Å; E461-L465 VanDerWaalsContact O-CG 3.23Å; E461-L465 WeakPolarHBondContact O-CG 3.36Å; E461-L465 PolarHBondContact O-N 3.37Å; E461-K485 IonicContact OE2-NZ 2.72Å; E461-K485 PolarHBondContact OE2-NZ 3.45Å
462	V	92.3	Very high	87.6	Confident	1 Å²	1	55.3 Å²	55.3	1%	0.006	33%	0.326	C	S	.	.	H	α-helix	trans	-59.8	-40.9	175.8	173.2	0	0	0	0	111.1	Y418 E455 Y458 L465 G466 L467	Y418-V462 HydrophobicContact CD1-CG2 3.72Å; Y418-V462 HydrophobicContact CD2-CG2 4.19Å; Y418-V462 HydrophobicContact CE1-CG2 4.19Å; Y418-V462 HydrophobicContact CG-CG2 3.73Å; E455-V462 HydrophobicContact CG-CG1 4.35Å; E455-V462 HydrophobicContact CG-CG2 4.27Å; Y458-V462 PolarHBondContact O-N 3.33Å; V462-L465 WeakPolarHBondContact O-CB 3.24Å; V462-L465 PolarHBondContact O-N 3.49Å; V462-G466 PolarHBondContact O-N 2.86Å; V462-L467 HydrophobicContact CG1-CB 3.8Å; V462-L467 PolarHBondContact O-N 3.35Å
463	K	89.1	Confident	87	Confident	144 Å²	144	61.9 Å²	61.9	63%	0.626	36%	0.362	S	S	*	.	H	α-helix	trans	-64.9	-46.1	173	-179.1	-178.7	178	-179	0	112.8	A459 E461 L465 G466	A459-K463 WeakPolarHBondContact O-CB 3.42Å; A459-K463 PolarHBondContact O-N 2.95Å; E461-K463 VanDerWaalsContact C-N 3.29Å; E461-K463 PolarHBondContact O-N 3.1Å; K463-L465 PolarHBondContact O-N 3.41Å; K463-G466 PolarHBondContact O-N 2.82Å
464	D	88	Confident	86.7	Confident	62 Å²	62	62.2 Å²	62.2	33%	0.332	36%	0.364	S	S	.	.	H	α-helix	trans	-63.4	-28.6	177.4	-84.3	-6.1	0	0	0	112	G460 E461 G466 K515	G460-D464 WeakPolarHBondContact O-CB 3.22Å; G460-D464 PolarHBondContact O-N 3.23Å; E461-D464 PolarHBondContact O-N 2.98Å; D464-G466 PolarHBondContact O-N 2.95Å; D464-K515 WeakPolarHBondContact OD1-CE 3.42Å; D464-K515 IonicContact OD1-NZ 3.27Å; D464-K515 WeakPolarHBondContact OD2-CE 3.37Å; D464-K515 IonicContact OD2-NZ 2.71Å; D464-K515 PolarHBondContact OD2-NZ 3.33Å
465	L	90.6	Very high	86.6	Confident	2 Å²	2	61.3 Å²	61.3	1%	0.01	36%	0.359	C	S	.	.	T	Hydrogen-bonded Turn	trans	-74.1	-10.8	172.1	-73.6	163.6	0	0	0	113.3	Y418 E461 V462 K463 L467 A477 K485 V513	Y418-L465 HydrophobicContact CE2-CD1 3.99Å; E461-L465 HydrophobicContact CG-CD1 3.86Å; E461-L465 HydrophobicContact CG-CG 4.45Å; E461-L465 WeakPolarHBondContact O-CB 3.02Å; E461-L465 WeakPolarHBondContact O-CD1 3.5Å; E461-L465 VanDerWaalsContact O-CG 3.23Å; E461-L465 WeakPolarHBondContact O-CG 3.36Å; E461-L465 PolarHBondContact O-N 3.37Å; V462-L465 WeakPolarHBondContact O-CB 3.24Å; V462-L465 PolarHBondContact O-N 3.49Å; K463-L465 PolarHBondContact O-N 3.41Å; L465-L467 VanDerWaalsContact C-N 3.26Å; L465-L467 HydrophobicContact CB-CB 4.44Å; L465-L467 HydrophobicContact CB-CD1 3.71Å; L465-L467 HydrophobicContact CB-CG 3.92Å; L465-L467 HydrophobicContact CD1-CD1 3.98Å; L465-L467 HydrophobicContact CG-CD1 4.4Å; L465-A477 HydrophobicContact CD1-CB 3.6Å; L465-A477 HydrophobicContact CD2-CB 3.84Å; L465-A477 HydrophobicContact CG-CB 4.37Å; L465-K485 HydrophobicContact CD2-CB 3.65Å; L465-K485 HydrophobicContact CD2-CD 3.94Å; L465-K485 HydrophobicContact CD2-CG 4.42Å; L465-K485 HydrophobicContact CG-CD 4.45Å; L465-V513 HydrophobicContact CD2-CG2 4.25Å
466	G	85.6	Confident	86.7	Confident	41 Å²	41	59 Å²	59	42%	0.423	35%	0.348	S	S	.	.	T	Hydrogen-bonded Turn	trans	75.6	11.9	-174.4	0	0	0	0	0	114.2	V462 K463 D464	V462-G466 PolarHBondContact O-N 2.86Å; K463-G466 PolarHBondContact O-N 2.82Å; D464-G466 PolarHBondContact O-N 2.95Å
467	L	86.4	Confident	86.8	Confident	3 Å²	3	51.1 Å²	51.1	2%	0.016	31%	0.311	C	S	.	.	G	3₁₀ helix	trans	-87.1	-18.5	-175.1	-67.5	168.7	0	0	0	112.5	V462 L465 E469 S470 N475 A487 M488	V462-L467 HydrophobicContact CG1-CB 3.8Å; V462-L467 PolarHBondContact O-N 3.35Å; L465-L467 VanDerWaalsContact C-N 3.26Å; L465-L467 HydrophobicContact CB-CB 4.44Å; L465-L467 HydrophobicContact CB-CD1 3.71Å; L465-L467 HydrophobicContact CB-CG 3.92Å; L465-L467 HydrophobicContact CD1-CD1 3.98Å; L465-L467 HydrophobicContact CG-CD1 4.4Å; L467-E469 PolarHBondContact O-N 3.3Å; L467-E469 VanDerWaalsContact O-N 3.1Å; L467-S470 VanDerWaalsContact O-CB 3.32Å; L467-S470 WeakPolarHBondContact O-CB 3.49Å; L467-S470 PolarHBondContact O-N 3.2Å; L467-S470 PolarHBondContact O-OG 2.73Å; L467-N475 HydrophobicContact CB-CB 4.19Å; L467-N475 HydrophobicContact CD1-CB 4.06Å; L467-N475 HydrophobicContact CD2-CB 4.49Å; L467-N475 HydrophobicContact CG-CB 4.46Å; L467-A487 HydrophobicContact CD1-CB 4.07Å; L467-A487 HydrophobicContact CD2-CB 3.97Å; L467-A487 HydrophobicContact CG-CB 4.05Å; L467-M488 WeakPolarHBondContact CD2-O 3.35Å
468	S	76.2	Confident	87	Confident	63 Å²	63	46.9 Å²	46.9	44%	0.441	29%	0.289	S	S	.	.	G	3₁₀ helix	trans	-64.2	-17.1	178.8	60.7	0	0	0	0	114.7
469	E	68.5	Low	87	Confident	172 Å²	172	46.5 Å²	46.5	80%	0.804	29%	0.288	S	S	*	.	G	3₁₀ helix	trans	-98.2	-1.9	178	-64.6	-178.2	178.2	0	0	112.5	L467 G471	L467-E469 PolarHBondContact O-N 3.3Å; L467-E469 VanDerWaalsContact O-N 3.1Å; E469-G471 VanDerWaalsContact C-N 3.29Å; E469-G471 PolarHBondContact O-N 2.72Å
470	S	64	Low	87.2	Confident	49 Å²	49	45.6 Å²	45.6	34%	0.343	28%	0.275	S	S	.	.	S	Bend	trans	-65.2	-35.2	-177.1	69.2	0	0	0	0	111.9	L467 E472 N475	L467-S470 VanDerWaalsContact O-CB 3.32Å; L467-S470 WeakPolarHBondContact O-CB 3.49Å; L467-S470 PolarHBondContact O-N 3.2Å; L467-S470 PolarHBondContact O-OG 2.73Å; S470-E472 PolarHBondContact O-N 3.46Å; S470-E472 WeakPolarHBondContact OG-CB 3.31Å; S470-E472 PolarHBondContact OG-N 3.33Å; S470-E472 VanDerWaalsContact OG-N 3.11Å; S470-N475 PolarHBondContact OG-OD1 2.94Å
471	G	69.3	Low	87.3	Confident	73 Å²	73	50.3 Å²	50.3	75%	0.753	28%	0.284	S	S	*	.			trans	73.6	6.4	-170.3	0	0	0	0	0	113.3	E469	E469-G471 VanDerWaalsContact C-N 3.29Å; E469-G471 PolarHBondContact O-N 2.72Å
472	E	77.5	Confident	87.1	Confident	77 Å²	77	52.4 Å²	52.4	36%	0.36	30%	0.302	S	S	.	.			trans	-84.6	140.3	179.8	-62	-58.7	142.2	0	0	111.2	S470 V474 N475	S470-E472 PolarHBondContact O-N 3.46Å; S470-E472 WeakPolarHBondContact OG-CB 3.31Å; S470-E472 PolarHBondContact OG-N 3.33Å; S470-E472 VanDerWaalsContact OG-N 3.11Å; E472-V474 PolarHBondContact O-N 2.88Å; E472-N475 PolarHBondContact O-ND2 2.85Å
473	D	85.6	Confident	86.9	Confident	138 Å²	138	55.2 Å²	55.2	74%	0.738	33%	0.331	S	S	*	.	S	Bend	trans	-73.8	-16.7	177	-68.4	-33.4	0	0	0	112.8	Y419	Y419-D473 WeakPolarHBondContact CB-O 3.39Å
474	V	93.3	Very high	87.1	Confident	7 Å²	7	52.4 Å²	52.4	4%	0.042	32%	0.319	C	S	.	.			trans	-138.1	114.6	-178.2	-170.7	0	0	0	0	110.3	V417 Y418 Y419 W434 E472 F493	V417-V474 HydrophobicContact CG1-CG1 3.5Å; Y418-V474 WeakPolarHBondContact O-CA 3.39Å; Y419-V474 HydrophobicContact CD1-CG1 4.29Å; W434-V474 HydrophobicContact CD2-CG2 3.7Å; W434-V474 VanDerWaalsContact CE2-CG2 3.49Å; W434-V474 HydrophobicContact CE3-CG2 4Å; W434-V474 HydrophobicContact CG-CG2 4.27Å; W434-V474 HydrophobicContact CH2-CG2 3.93Å; W434-V474 HydrophobicContact CZ2-CG2 3.62Å; W434-V474 HydrophobicContact CZ3-CG2 4.12Å; E472-V474 PolarHBondContact O-N 2.88Å; V474-F493 HydrophobicContact CB-CB 3.9Å; V474-F493 HydrophobicContact CB-CD1 4.22Å; V474-F493 HydrophobicContact CB-CD2 4.27Å; V474-F493 HydrophobicContact CB-CG 3.87Å; V474-F493 HydrophobicContact CG1-CB 4.12Å; V474-F493 HydrophobicContact CG1-CD1 3.67Å; V474-F493 HydrophobicContact CG1-CD2 3.61Å; V474-F493 HydrophobicContact CG1-CE1 3.95Å; V474-F493 HydrophobicContact CG1-CE2 3.91Å; V474-F493 HydrophobicContact CG1-CG 3.51Å; V474-F493 HydrophobicContact CG1-CZ 4.06Å
475	N	93.7	Very high	87.4	Confident	4 Å²	4	52.4 Å²	52.4	2%	0.021	32%	0.316	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.4	152.1	-178.8	-69.3	-68.6	0	0	0	110	V417 Y418 L467 S470 E472	V417-N475 CarbonylContact C-O 3.44Å; V417-N475 WeakPolarHBondContact CA-O 3.43Å; Y418-N475 PolarHBondContact N-O 3.31Å; Y418-N475 PolarHBondContact O-N 3.41Å; L467-N475 HydrophobicContact CB-CB 4.19Å; L467-N475 HydrophobicContact CD1-CB 4.06Å; L467-N475 HydrophobicContact CD2-CB 4.49Å; L467-N475 HydrophobicContact CG-CB 4.46Å; S470-N475 PolarHBondContact OG-OD1 2.94Å; E472-N475 PolarHBondContact O-ND2 2.85Å
476	A	96.9	Very high	87.7	Confident	0 Å²	0	53.1 Å²	53.1	0%	0	32%	0.319	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.8	148.1	176.2	0	0	0	0	0	112.7	V416 V417 M488 F493 L498	V416-A476 CarbonylContact O-C 3.53Å; V416-A476 VanDerWaalsContact O-CA 3.3Å; V416-A476 WeakPolarHBondContact O-CA 3.15Å; V417-A476 HydrophobicContact CG2-CB 4.13Å; A476-M488 HydrophobicContact CB-CB 4.01Å; A476-M488 HydrophobicContact CB-CE 3.67Å; A476-M488 HydrophobicContact CB-SD 4.18Å; A476-M488 WeakPolarHBondContact O-CB 3.37Å; A476-M488 PolarHBondContact O-N 3.17Å; A476-F493 HydrophobicContact CB-CE2 4.13Å; A476-L498 HydrophobicContact CB-CD1 4.26Å
477	A	97.8	Very high	88.2	Confident	0 Å²	0	52.1 Å²	52.1	0%	0	31%	0.307	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-146.1	161.1	176.9	0	0	0	0	0	112.7	V415 V416 Y418 L465 F486	V415-A477 WeakPolarHBondContact CA-O 3.47Å; V416-A477 PolarHBondContact N-O 3.2Å; V416-A477 PolarHBondContact O-N 3.3Å; Y418-A477 HydrophobicContact CE2-CB 4.01Å; L465-A477 HydrophobicContact CD1-CB 3.6Å; L465-A477 HydrophobicContact CD2-CB 3.84Å; L465-A477 HydrophobicContact CG-CB 4.37Å; A477-F486 CarbonylContact C-O 3.59Å; A477-F486 WeakPolarHBondContact CA-O 3.49Å; A477-F486 WeakPolarHBondContact CB-O 3.38Å
478	I	98.6	Very high	88.5	Confident	0 Å²	0	52.4 Å²	52.4	0%	0	31%	0.308	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.5	124.8	169.9	-61.1	169.5	0	0	0	108.3	P413 L414 V415 K485 F486 F501 V502 F505	P413-I478 HydrophobicContact CB-CG2 4.08Å; L414-I478 WeakPolarHBondContact O-CA 3.49Å; V415-I478 HydrophobicContact CB-CG1 4.46Å; V415-I478 HydrophobicContact CG1-CG1 4.2Å; V415-I478 HydrophobicContact CG2-CG1 4.1Å; I478-K485 CarbonylContact O-C 3.54Å; I478-K485 WeakPolarHBondContact O-CA 3.46Å; I478-F486 HydrophobicContact CB-CB 4.34Å; I478-F486 PolarHBondContact N-O 3.39Å; I478-F486 PolarHBondContact O-N 3.04Å; I478-F501 HydrophobicContact CD1-CD1 3.99Å; I478-F501 HydrophobicContact CD1-CE1 3.64Å; I478-F501 HydrophobicContact CD1-CZ 4.06Å; I478-F501 HydrophobicContact CG1-CD1 4.31Å; I478-F501 HydrophobicContact CG1-CE1 3.58Å; I478-F501 HydrophobicContact CG1-CZ 4.06Å; I478-V502 HydrophobicContact CD1-CG2 4.37Å; I478-F505 HydrophobicContact CB-CD2 4.28Å; I478-F505 HydrophobicContact CB-CE2 4.46Å; I478-F505 HydrophobicContact CB-CG 4.49Å; I478-F505 HydrophobicContact CD1-CB 3.39Å; I478-F505 HydrophobicContact CD1-CD1 3.96Å; I478-F505 HydrophobicContact CD1-CD2 4.04Å; I478-F505 HydrophobicContact CD1-CG 3.51Å; I478-F505 HydrophobicContact CG2-CD1 4Å; I478-F505 HydrophobicContact CG2-CD2 3.86Å; I478-F505 HydrophobicContact CG2-CE1 3.82Å; I478-F505 HydrophobicContact CG2-CE2 3.67Å; I478-F505 HydrophobicContact CG2-CG 4.02Å; I478-F505 HydrophobicContact CG2-CZ 3.65Å
479	L	97.4	Very high	88.9	Confident	9 Å²	9	57.7 Å²	57.7	5%	0.047	33%	0.326	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.2	118.8	170.1	-45.4	-174.8	0	0	0	108	R412 P413 L414 K485	R412-L479 WeakPolarHBondContact CD-O 3.49Å; P413-L479 CarbonylContact C-O 3.6Å; P413-L479 VanDerWaalsContact CA-O 3.31Å; P413-L479 WeakPolarHBondContact CA-O 3.23Å; L414-L479 HydrophobicContact CB-CB 4.36Å; L414-L479 HydrophobicContact CD2-CD1 4.2Å; L414-L479 PolarHBondContact N-O 3.16Å; L414-L479 PolarHBondContact O-N 2.93Å; L479-K485 HydrophobicContact CD2-CB 4.25Å; L479-K485 HydrophobicContact CD2-CD 3.8Å; L479-K485 HydrophobicContact CD2-CG 3.8Å
480	D	96.2	Very high	89.4	Confident	34 Å²	34	51 Å²	51	18%	0.182	30%	0.298	C	S	.	.			trans	-91.5	164.3	-174.9	-179.3	38.4	0	0	0	112.9	S482 G483 K484 F486 F505	D480-S482 PolarHBondContact O-N 2.88Å; D480-S482 WeakPolarHBondContact OD2-CB 3.41Å; D480-S482 PolarHBondContact OD2-N 2.81Å; D480-S482 PolarHBondContact OD2-OG 2.77Å; D480-G483 PolarHBondContact O-N 2.89Å; D480-G483 VanDerWaalsContact O-N 3.14Å; D480-K484 HydrophobicContact CB-CB 4.45Å; D480-K484 WeakPolarHBondContact CB-O 3.42Å; D480-K484 PolarHBondContact N-O 3.17Å; D480-F486 HydrophobicContact CB-CE2 3.94Å; D480-F505 HydrophobicContact CB-CE2 4.21Å; D480-F505 HydrophobicContact CB-CZ 4.12Å
481	E	94	Very high	90.2	Very high	148 Å²	148	57.9 Å²	57.9	69%	0.692	33%	0.325	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59	-32.4	174.9	-69	175	-179.4	0	0	112.5	R412 G483	R412-E481 HydrophobicContact CB-CB 4.27Å; R412-E481 HydrophobicContact CB-CG 3.58Å; E481-G483 PolarHBondContact O-N 3.36Å
482	S	88.8	Confident	91.1	Very high	73 Å²	73	61.2 Å²	61.2	51%	0.51	32%	0.321	S	S	.	.	T	Hydrogen-bonded Turn	trans	-77.1	-0.7	178.1	66.3	0	0	0	0	114.5	D480 K484	D480-S482 PolarHBondContact O-N 2.88Å; D480-S482 WeakPolarHBondContact OD2-CB 3.41Å; D480-S482 PolarHBondContact OD2-N 2.81Å; D480-S482 PolarHBondContact OD2-OG 2.77Å; S482-K484 PolarHBondContact O-N 3.3Å; S482-K484 WeakPolarHBondContact OG-CB 3.32Å; S482-K484 WeakPolarHBondContact OG-CD 3.3Å; S482-K484 WeakPolarHBondContact OG-CG 3.49Å
483	G	88.4	Confident	91.8	Very high	60 Å²	60	58 Å²	58	62%	0.619	31%	0.306	S	S	*	.	S	Bend	trans	80.9	-5.6	-171.9	0	0	0	0	0	114.1	D480 E481	D480-G483 PolarHBondContact O-N 2.89Å; D480-G483 VanDerWaalsContact O-N 3.14Å; E481-G483 PolarHBondContact O-N 3.36Å
484	K	92	Very high	92.3	Very high	86 Å²	86	53.9 Å²	53.9	37%	0.374	28%	0.283	S	S	.	.			trans	-66.2	146.1	172.9	-69	175.2	-176.4	174.4	0	110.7	D480 S482 F486 P512	D480-K484 HydrophobicContact CB-CB 4.45Å; D480-K484 WeakPolarHBondContact CB-O 3.42Å; D480-K484 PolarHBondContact N-O 3.17Å; S482-K484 PolarHBondContact O-N 3.3Å; S482-K484 WeakPolarHBondContact OG-CB 3.32Å; S482-K484 WeakPolarHBondContact OG-CD 3.3Å; S482-K484 WeakPolarHBondContact OG-CG 3.49Å; K484-F486 HydrophobicContact CB-CE2 3.93Å; K484-F486 HydrophobicContact CB-CZ 4.27Å; K484-P512 HydrophobicContact CB-CB 4.16Å; K484-P512 HydrophobicContact CD-CB 4.4Å; K484-P512 HydrophobicContact CD-CG 4.48Å; K484-P512 HydrophobicContact CG-CB 4.39Å
485	K	95.4	Very high	92.5	Very high	61 Å²	61	54.2 Å²	54.2	27%	0.265	29%	0.286	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.3	147.7	177.3	-53.2	-168.9	-176.7	-167.2	0	110.2	E461 L465 I478 L479 P512 V513	E461-K485 IonicContact OE2-NZ 2.72Å; E461-K485 PolarHBondContact OE2-NZ 3.45Å; L465-K485 HydrophobicContact CD2-CB 3.65Å; L465-K485 HydrophobicContact CD2-CD 3.94Å; L465-K485 HydrophobicContact CD2-CG 4.42Å; L465-K485 HydrophobicContact CG-CD 4.45Å; I478-K485 CarbonylContact O-C 3.54Å; I478-K485 WeakPolarHBondContact O-CA 3.46Å; L479-K485 HydrophobicContact CD2-CB 4.25Å; L479-K485 HydrophobicContact CD2-CD 3.8Å; L479-K485 HydrophobicContact CD2-CG 3.8Å; K485-P512 CarbonylContact O-C 3.55Å; K485-P512 VanDerWaalsContact O-CA 3.22Å; K485-P512 WeakPolarHBondContact O-CA 3.49Å; K485-V513 PolarHBondContact O-N 3.05Å
486	F	96.7	Very high	92.7	Very high	18 Å²	18	59 Å²	59	8%	0.079	31%	0.312	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131	128.3	178.5	-58.8	-97.2	0	0	0	107.8	A477 I478 D480 K484 F501 F505 L510 K511 P512	A477-F486 CarbonylContact C-O 3.59Å; A477-F486 WeakPolarHBondContact CA-O 3.49Å; A477-F486 WeakPolarHBondContact CB-O 3.38Å; I478-F486 HydrophobicContact CB-CB 4.34Å; I478-F486 PolarHBondContact N-O 3.39Å; I478-F486 PolarHBondContact O-N 3.04Å; D480-F486 HydrophobicContact CB-CE2 3.94Å; K484-F486 HydrophobicContact CB-CE2 3.93Å; K484-F486 HydrophobicContact CB-CZ 4.27Å; F486-F501 HydrophobicContact CB-CZ 4.25Å; F486-F505 HydrophobicContact CD1-CD2 4.49Å; F486-F505 AromaticContact CD2-CD2 3.86Å; F486-F505 HydrophobicContact CD2-CD2 3.86Å; F486-F505 AromaticContact CD2-CE2 3.63Å; F486-F505 HydrophobicContact CD2-CE2 3.63Å; F486-F505 HydrophobicContact CE2-CD2 4.07Å; F486-F505 AromaticContact CE2-CE2 3.53Å; F486-F505 HydrophobicContact CE2-CE2 3.53Å; F486-F505 HydrophobicContact CG-CD2 4.11Å; F486-F505 HydrophobicContact CG-CE2 4.33Å; F486-F505 HydrophobicContact CZ-CD2 4.43Å; F486-F505 HydrophobicContact CZ-CE2 4.11Å; F486-L510 HydrophobicContact CB-CD1 4.12Å; F486-L510 HydrophobicContact CD1-CB 3.5Å; F486-L510 VanDerWaalsContact CD1-CB 3.5Å; F486-L510 HydrophobicContact CD1-CD1 4.31Å; F486-L510 HydrophobicContact CE1-CB 4Å; F486-L510 HydrophobicContact CG-CB 4.39Å; F486-L510 HydrophobicContact CG-CD1 4.45Å; F486-K511 VanDerWaalsContact CD1-O 3.32Å; F486-K511 WeakPolarHBondContact CD1-O 3.47Å; F486-P512 HydrophobicContact CD1-CB 4.44Å; F486-P512 HydrophobicContact CE1-CB 3.98Å; F486-P512 HydrophobicContact CZ-CB 4.08Å
487	A	95.1	Very high	92.7	Very high	20 Å²	20	60.8 Å²	60.8	17%	0.165	32%	0.323	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.2	143.6	178.4	0	0	0	0	0	110.2	L467 F501 V513	L467-A487 HydrophobicContact CD1-CB 4.07Å; L467-A487 HydrophobicContact CD2-CB 3.97Å; L467-A487 HydrophobicContact CG-CB 4.05Å; A487-F501 WeakPolarHBondContact O-CE2 3.24Å; A487-V513 HydrophobicContact CB-CG2 3.5Å
488	M	94.2	Very high	92.7	Very high	9 Å²	9	60.8 Å²	60.8	4%	0.044	32%	0.323	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.5	129.9	171.1	-161.3	176.8	71.4	0	0	108.8	L467 A476 P490 F493 L498 F501	L467-M488 WeakPolarHBondContact CD2-O 3.35Å; A476-M488 HydrophobicContact CB-CB 4.01Å; A476-M488 HydrophobicContact CB-CE 3.67Å; A476-M488 HydrophobicContact CB-SD 4.18Å; A476-M488 WeakPolarHBondContact O-CB 3.37Å; A476-M488 PolarHBondContact O-N 3.17Å; M488-P490 VanDerWaalsContact C-CD 3.5Å; M488-P490 HydrophobicContact CE-CG 3.67Å; M488-P490 HydrophobicContact CG-CG 4.31Å; M488-F493 HydrophobicContact CE-CD2 3.29Å; M488-F493 HydrophobicContact CE-CE2 3.61Å; M488-F493 HydrophobicContact CE-CG 4.42Å; M488-L498 HydrophobicContact SD-CD1 4.22Å; M488-F501 HydrophobicContact CB-CD1 3.87Å; M488-F501 HydrophobicContact CB-CD2 3.89Å; M488-F501 HydrophobicContact CB-CE1 3.83Å; M488-F501 HydrophobicContact CB-CE2 3.86Å; M488-F501 HydrophobicContact CB-CG 3.9Å; M488-F501 HydrophobicContact CB-CZ 3.85Å; M488-F501 HydrophobicContact CG-CB 3.81Å; M488-F501 HydrophobicContact CG-CD1 3.93Å; M488-F501 HydrophobicContact CG-CD2 3.76Å; M488-F501 HydrophobicContact CG-CE1 4.4Å; M488-F501 HydrophobicContact CG-CE2 4.26Å; M488-F501 HydrophobicContact CG-CG 3.58Å; M488-F501 HydrophobicContact SD-CB 3.54Å; M488-F501 VanDerWaalsContact SD-CB 3.54Å; M488-F501 HydrophobicContact SD-CD1 3.8Å; M488-F501 HydrophobicContact SD-CG 3.73Å
489	E	83.7	Confident	92.7	Very high	173 Å²	173	63.8 Å²	63.8	81%	0.808	33%	0.334	S	S	*	.			trans	-124	67.5	177.7	-64.3	175.9	-172.6	0	0	109.3
490	P	79	Confident	92.7	Very high	33 Å²	33	70.1 Å²	70.1	21%	0.214	36%	0.363	C	S	.	.			trans	-83.3	161.3	177.7	39.4	-34.3	0	0	0	110.7	M488 E492 T497	M488-P490 VanDerWaalsContact C-CD 3.5Å; M488-P490 HydrophobicContact CE-CG 3.67Å; M488-P490 HydrophobicContact CG-CG 4.31Å; P490-E492 VanDerWaalsContact C-N 3.32Å; P490-E492 WeakPolarHBondContact CB-O 3.46Å; P490-T497 HydrophobicContact CB-CG2 4.4Å
491	E	80.9	Confident	92.8	Very high	193 Å²	193	69.2 Å²	69.2	90%	0.902	36%	0.357	S	S	*	.	S	Bend	trans	-70.9	-28.9	168.8	-66.4	-175.8	171.2	0	0	112.3
492	E	87.6	Confident	93.1	Very high	143 Å²	143	62.1 Å²	62.1	67%	0.668	33%	0.325	S	S	*	.	S	Bend	trans	-149.7	142.3	174.5	-174.6	177.2	179.9	0	0	109	P490	P490-E492 VanDerWaalsContact C-N 3.32Å; P490-E492 WeakPolarHBondContact CB-O 3.46Å
493	F	92.9	Very high	93.5	Very high	10 Å²	10	60.5 Å²	60.5	4%	0.044	31%	0.311	C	S	.	.			trans	-84.6	125.4	176.8	-178.3	-83	0	0	0	112.4	V417 W434 K437 V438 V474 A476 M488 L498	V417-F493 HydrophobicContact CG1-CE1 4.41Å; V417-F493 HydrophobicContact CG1-CE2 3.71Å; V417-F493 HydrophobicContact CG1-CZ 3.61Å; V417-F493 HydrophobicContact CG2-CE2 4.24Å; V417-F493 HydrophobicContact CG2-CZ 4.14Å; W434-F493 AromaticContact CE3-CD1 3.73Å; W434-F493 HydrophobicContact CE3-CD1 3.73Å; W434-F493 HydrophobicContact CE3-CE1 4.03Å; W434-F493 AromaticContact CZ3-CD1 3.66Å; W434-F493 HydrophobicContact CZ3-CD1 3.66Å; W434-F493 HydrophobicContact CZ3-CE1 4.39Å; K437-F493 HydrophobicContact CB-CE1 4.23Å; V438-F493 HydrophobicContact CG2-CZ 4.34Å; V474-F493 HydrophobicContact CB-CB 3.9Å; V474-F493 HydrophobicContact CB-CD1 4.22Å; V474-F493 HydrophobicContact CB-CD2 4.27Å; V474-F493 HydrophobicContact CB-CG 3.87Å; V474-F493 HydrophobicContact CG1-CB 4.12Å; V474-F493 HydrophobicContact CG1-CD1 3.67Å; V474-F493 HydrophobicContact CG1-CD2 3.61Å; V474-F493 HydrophobicContact CG1-CE1 3.95Å; V474-F493 HydrophobicContact CG1-CE2 3.91Å; V474-F493 HydrophobicContact CG1-CG 3.51Å; V474-F493 HydrophobicContact CG1-CZ 4.06Å; A476-F493 HydrophobicContact CB-CE2 4.13Å; M488-F493 HydrophobicContact CE-CD2 3.29Å; M488-F493 HydrophobicContact CE-CE2 3.61Å; M488-F493 HydrophobicContact CE-CG 4.42Å; F493-L498 HydrophobicContact CE2-CB 4.37Å; F493-L498 HydrophobicContact CE2-CD1 4.44Å; F493-L498 HydrophobicContact CE2-CD2 4.5Å; F493-L498 HydrophobicContact CZ-CB 4.4Å; F493-L498 HydrophobicContact CZ-CD2 4.05Å
494	D	95.6	Very high	94	Very high	51 Å²	51	58.7 Å²	58.7	27%	0.273	29%	0.291	S	S	.	.			trans	-150.9	-174.8	167.3	70.7	15.5	0	0	0	113	D496 T497 L498	D494-D496 VanDerWaalsContact C-N 3.33Å; D494-D496 PolarHBondContact O-N 3.28Å; D494-D496 PolarHBondContact OD1-N 3.48Å; D494-T497 PolarHBondContact N-OG1 3.19Å; D494-T497 PolarHBondContact O-OG1 3.38Å; D494-T497 WeakPolarHBondContact OD1-CB 3.39Å; D494-T497 WeakPolarHBondContact OD1-CG2 2.86Å; D494-T497 PolarHBondContact OD1-N 2.89Å; D494-T497 PolarHBondContact OD1-OG1 2.68Å; D494-L498 VanDerWaalsContact O-CB 3.28Å; D494-L498 WeakPolarHBondContact O-CB 3.38Å; D494-L498 PolarHBondContact O-N 3.47Å; D494-L498 VanDerWaalsContact O-N 3.14Å
495	S	97.9	Very high	94.3	Very high	14 Å²	14	55.7 Å²	55.7	10%	0.098	28%	0.278	C	S	.	.	H	α-helix	trans	-69	-28.3	179.6	-62.9	0	0	0	0	113.5	K437 V441 R499	K437-S495 VanDerWaalsContact CA-OG 3.28Å; K437-S495 WeakPolarHBondContact CA-OG 3.45Å; K437-S495 WeakPolarHBondContact CD-OG 3.21Å; K437-S495 PolarHBondContact O-OG 3.09Å; V441-S495 WeakPolarHBondContact CG2-O 3.46Å; S495-R499 WeakPolarHBondContact O-CB 3.24Å; S495-R499 PolarHBondContact O-N 2.81Å
496	D	97.7	Very high	94.4	Very high	105 Å²	105	58.2 Å²	58.2	56%	0.561	29%	0.289	S	S	*	.	H	α-helix	trans	-80.4	-46.6	-176.2	-72	-23.8	0	0	0	110.1	D494 L498 R499 E500	D494-D496 VanDerWaalsContact C-N 3.33Å; D494-D496 PolarHBondContact O-N 3.28Å; D494-D496 PolarHBondContact OD1-N 3.48Å; D496-L498 PolarHBondContact O-N 2.76Å; D496-R499 WeakPolarHBondContact O-CB 3.29Å; D496-R499 PolarHBondContact O-N 3.24Å; D496-R499 VanDerWaalsContact O-N 3.14Å; D496-E500 WeakPolarHBondContact O-CG 3.2Å; D496-E500 PolarHBondContact O-N 3.39Å
497	T	97	Very high	94.4	Very high	37 Å²	37	63.9 Å²	63.9	23%	0.227	31%	0.313	C	S	.	.	H	α-helix	trans	-58.4	-44.8	172.2	52.4	0	0	0	0	111.9	P490 D494 R499 E500 F501	P490-T497 HydrophobicContact CB-CG2 4.4Å; D494-T497 PolarHBondContact N-OG1 3.19Å; D494-T497 PolarHBondContact O-OG1 3.38Å; D494-T497 WeakPolarHBondContact OD1-CB 3.39Å; D494-T497 WeakPolarHBondContact OD1-CG2 2.86Å; D494-T497 PolarHBondContact OD1-N 2.89Å; D494-T497 PolarHBondContact OD1-OG1 2.68Å; T497-R499 PolarHBondContact O-N 2.95Å; T497-E500 PolarHBondContact O-N 3.14Å; T497-F501 WeakPolarHBondContact O-CB 3.37Å; T497-F501 PolarHBondContact O-N 3.46Å
498	L	98.3	Very high	94.5	Very high	0 Å²	0	66.2 Å²	66.2	0%	0	34%	0.339	C	S	.	.	H	α-helix	trans	-62.6	-41	174.2	179.1	64.2	0	0	0	111.9	V415 V417 V438 V441 A476 M488 F493 D494 D496 F501 V502	V415-L498 HydrophobicContact CG1-CD1 4.34Å; V417-L498 HydrophobicContact CG2-CD1 4.43Å; V417-L498 HydrophobicContact CG2-CD2 4.31Å; V438-L498 HydrophobicContact CB-CD2 4.36Å; V438-L498 HydrophobicContact CG1-CD2 4.17Å; V438-L498 HydrophobicContact CG2-CD2 4.26Å; V441-L498 HydrophobicContact CB-CD2 4.05Å; V441-L498 HydrophobicContact CB-CG 4.31Å; V441-L498 HydrophobicContact CG1-CD2 4.47Å; V441-L498 HydrophobicContact CG1-CG 4.25Å; V441-L498 HydrophobicContact CG2-CB 4.1Å; V441-L498 HydrophobicContact CG2-CD2 3.84Å; V441-L498 HydrophobicContact CG2-CG 4.01Å; A476-L498 HydrophobicContact CB-CD1 4.26Å; M488-L498 HydrophobicContact SD-CD1 4.22Å; F493-L498 HydrophobicContact CE2-CB 4.37Å; F493-L498 HydrophobicContact CE2-CD1 4.44Å; F493-L498 HydrophobicContact CE2-CD2 4.5Å; F493-L498 HydrophobicContact CZ-CB 4.4Å; F493-L498 HydrophobicContact CZ-CD2 4.05Å; D494-L498 VanDerWaalsContact O-CB 3.28Å; D494-L498 WeakPolarHBondContact O-CB 3.38Å; D494-L498 PolarHBondContact O-N 3.47Å; D494-L498 VanDerWaalsContact O-N 3.14Å; D496-L498 PolarHBondContact O-N 2.76Å; L498-F501 HydrophobicContact CD1-CD1 4.4Å; L498-F501 PolarHBondContact O-N 3.29Å; L498-V502 HydrophobicContact CD1-CG2 4.25Å; L498-V502 WeakPolarHBondContact O-CG2 3.47Å; L498-V502 PolarHBondContact O-N 3.48Å
499	R	98.5	Very high	94.6	Very high	63 Å²	63	73.2 Å²	73.2	24%	0.238	37%	0.369	C	S	.	.	H	α-helix	trans	-64.4	-41.8	177.1	-179	-177.3	-49.8	-68	-1.4	112.1	E440 V441 D444 F445 S495 D496 T497 F501 T503	E440-R499 PolarHBondContact O-NH2 3.37Å; V441-R499 HydrophobicContact CG1-CB 4.11Å; V441-R499 HydrophobicContact CG2-CB 4.15Å; D444-R499 IonicContact OD2-CZ 2.75Å; D444-R499 IonicContact OD2-NH1 2.8Å; D444-R499 PolarHBondContact OD2-NH1 3.32Å; D444-R499 IonicContact OD2-NH2 2.76Å; D444-R499 PolarHBondContact OD2-NH2 3.32Å; F445-R499 HydrophobicContact CE2-CG 4.47Å; S495-R499 WeakPolarHBondContact O-CB 3.24Å; S495-R499 PolarHBondContact O-N 2.81Å; D496-R499 WeakPolarHBondContact O-CB 3.29Å; D496-R499 PolarHBondContact O-N 3.24Å; D496-R499 VanDerWaalsContact O-N 3.14Å; T497-R499 PolarHBondContact O-N 2.95Å; R499-F501 VanDerWaalsContact C-N 3.34Å; R499-T503 WeakPolarHBondContact O-CB 3.37Å; R499-T503 PolarHBondContact O-N 3.25Å; R499-T503 PolarHBondContact O-OG1 2.8Å
500	E	97.8	Very high	95.2	Very high	141 Å²	141	67.1 Å²	67.1	66%	0.659	34%	0.342	S	S	*	.	H	α-helix	trans	-61.3	-44.9	175.5	-74.6	-175.9	178.2	0	0	111.1	D496 T497 T503 A504	D496-E500 WeakPolarHBondContact O-CG 3.2Å; D496-E500 PolarHBondContact O-N 3.39Å; T497-E500 PolarHBondContact O-N 3.14Å; E500-T503 PolarHBondContact O-N 3.06Å; E500-A504 VanDerWaalsContact O-CB 3.3Å; E500-A504 WeakPolarHBondContact O-CB 3.45Å; E500-A504 PolarHBondContact O-N 3.43Å
501	F	98.2	Very high	95.7	Very high	15 Å²	15	74.4 Å²	74.4	7%	0.066	37%	0.371	C	S	.	.	H	α-helix	trans	-59.6	-52.2	176.3	177.1	-118.2	0	0	0	112.5	I478 F486 A487 M488 T497 L498 R499 T503 A504 F505 L510	I478-F501 HydrophobicContact CD1-CD1 3.99Å; I478-F501 HydrophobicContact CD1-CE1 3.64Å; I478-F501 HydrophobicContact CD1-CZ 4.06Å; I478-F501 HydrophobicContact CG1-CD1 4.31Å; I478-F501 HydrophobicContact CG1-CE1 3.58Å; I478-F501 HydrophobicContact CG1-CZ 4.06Å; F486-F501 HydrophobicContact CB-CZ 4.25Å; A487-F501 WeakPolarHBondContact O-CE2 3.24Å; M488-F501 HydrophobicContact CB-CD1 3.87Å; M488-F501 HydrophobicContact CB-CD2 3.89Å; M488-F501 HydrophobicContact CB-CE1 3.83Å; M488-F501 HydrophobicContact CB-CE2 3.86Å; M488-F501 HydrophobicContact CB-CG 3.9Å; M488-F501 HydrophobicContact CB-CZ 3.85Å; M488-F501 HydrophobicContact CG-CB 3.81Å; M488-F501 HydrophobicContact CG-CD1 3.93Å; M488-F501 HydrophobicContact CG-CD2 3.76Å; M488-F501 HydrophobicContact CG-CE1 4.4Å; M488-F501 HydrophobicContact CG-CE2 4.26Å; M488-F501 HydrophobicContact CG-CG 3.58Å; M488-F501 HydrophobicContact SD-CB 3.54Å; M488-F501 VanDerWaalsContact SD-CB 3.54Å; M488-F501 HydrophobicContact SD-CD1 3.8Å; M488-F501 HydrophobicContact SD-CG 3.73Å; T497-F501 WeakPolarHBondContact O-CB 3.37Å; T497-F501 PolarHBondContact O-N 3.46Å; L498-F501 HydrophobicContact CD1-CD1 4.4Å; L498-F501 PolarHBondContact O-N 3.29Å; R499-F501 VanDerWaalsContact C-N 3.34Å; F501-T503 VanDerWaalsContact C-N 3.3Å; F501-T503 PolarHBondContact O-N 3.03Å; F501-A504 PolarHBondContact O-N 2.9Å; F501-F505 PolarHBondContact O-N 3.15Å; F501-L510 HydrophobicContact CD2-CD1 3.6Å; F501-L510 HydrophobicContact CD2-CD2 4.12Å; F501-L510 HydrophobicContact CE2-CD1 3.32Å; F501-L510 HydrophobicContact CE2-CD2 4.3Å; F501-L510 HydrophobicContact CE2-CG 4.44Å; F501-L510 HydrophobicContact CG-CD1 4.49Å; F501-L510 HydrophobicContact CZ-CD1 4.03Å
502	V	98.5	Very high	96.3	Very high	0 Å²	0	67.8 Å²	67.8	0%	0	35%	0.345	C	S	.	.	H	α-helix	trans	-62.6	-38.3	177.4	177.7	0	0	0	0	111.2	V415 V441 F445 Y448 F450 I478 L498 F505 K506	V415-V502 HydrophobicContact CG1-CG2 4.06Å; V415-V502 HydrophobicContact CG2-CG2 4.27Å; V441-V502 HydrophobicContact CG1-CG2 4.38Å; F445-V502 HydrophobicContact CD1-CG1 3.75Å; F445-V502 HydrophobicContact CD2-CG1 3.81Å; F445-V502 HydrophobicContact CE1-CG1 3.74Å; F445-V502 HydrophobicContact CE2-CB 4.22Å; F445-V502 HydrophobicContact CE2-CG1 3.82Å; F445-V502 HydrophobicContact CG-CG1 3.78Å; F445-V502 HydrophobicContact CZ-CB 4.25Å; F445-V502 HydrophobicContact CZ-CG1 3.78Å; Y448-V502 HydrophobicContact CD2-CG1 3.78Å; Y448-V502 HydrophobicContact CE2-CG1 3.78Å; F450-V502 HydrophobicContact CE1-CG2 4.13Å; F450-V502 HydrophobicContact CZ-CG1 4.24Å; F450-V502 HydrophobicContact CZ-CG2 4.19Å; I478-V502 HydrophobicContact CD1-CG2 4.37Å; L498-V502 HydrophobicContact CD1-CG2 4.25Å; L498-V502 WeakPolarHBondContact O-CG2 3.47Å; L498-V502 PolarHBondContact O-N 3.48Å; V502-F505 WeakPolarHBondContact O-CB 3.42Å; V502-F505 PolarHBondContact O-N 2.87Å; V502-K506 WeakPolarHBondContact O-CB 3.42Å; V502-K506 PolarHBondContact O-N 3.35Å
503	T	98.4	Very high	96.5	Very high	38 Å²	38	62.6 Å²	62.6	23%	0.233	32%	0.323	C	S	.	.	H	α-helix	trans	-66.4	-39.2	175.9	-61.3	0	0	0	0	111.9	R499 E500 F501 K506 K507	R499-T503 WeakPolarHBondContact O-CB 3.37Å; R499-T503 PolarHBondContact O-N 3.25Å; R499-T503 PolarHBondContact O-OG1 2.8Å; E500-T503 PolarHBondContact O-N 3.06Å; F501-T503 VanDerWaalsContact C-N 3.3Å; F501-T503 PolarHBondContact O-N 3.03Å; T503-K506 PolarHBondContact O-N 3.19Å; T503-K507 HydrophobicContact CG2-CD 3.96Å; T503-K507 VanDerWaalsContact CG2-CE 3.46Å; T503-K507 WeakPolarHBondContact O-CB 3.45Å; T503-K507 VanDerWaalsContact O-CG 3.25Å; T503-K507 WeakPolarHBondContact O-CG 3.29Å; T503-K507 PolarHBondContact O-N 3.12Å
504	A	98.2	Very high	96.3	Very high	23 Å²	23	65 Å²	65	19%	0.19	34%	0.335	C	S	.	.	H	α-helix	trans	-66.5	-39.8	176.6	0	0	0	0	0	111.2	E500 F501 K507 G508 K509 L510	E500-A504 VanDerWaalsContact O-CB 3.3Å; E500-A504 WeakPolarHBondContact O-CB 3.45Å; E500-A504 PolarHBondContact O-N 3.43Å; F501-A504 PolarHBondContact O-N 2.9Å; A504-K507 CarbonylContact O-C 3.5Å; A504-K507 PolarHBondContact O-N 2.99Å; A504-G508 PolarHBondContact O-N 2.98Å; A504-K509 HydrophobicContact CB-CB 4.35Å; A504-K509 PolarHBondContact O-N 2.74Å; A504-L510 HydrophobicContact CB-CD2 3.65Å; A504-L510 HydrophobicContact CB-CG 3.95Å
505	F	98.2	Very high	96	Very high	23 Å²	23	65.5 Å²	65.5	10%	0.101	34%	0.335	C	S	.	.	H	α-helix	trans	-59.4	-53.2	171.8	177.2	-100.8	0	0	0	111.4	P413 Y448 I478 D480 F486 F501 V502 K507 G508 L510	P413-F505 HydrophobicContact CB-CE1 3.7Å; P413-F505 HydrophobicContact CB-CZ 4Å; P413-F505 HydrophobicContact CG-CE1 3.65Å; P413-F505 HydrophobicContact CG-CZ 3.97Å; Y448-F505 HydrophobicContact CE2-CD1 4.15Å; Y448-F505 HydrophobicContact CE2-CE1 4.49Å; I478-F505 HydrophobicContact CB-CD2 4.28Å; I478-F505 HydrophobicContact CB-CE2 4.46Å; I478-F505 HydrophobicContact CB-CG 4.49Å; I478-F505 HydrophobicContact CD1-CB 3.39Å; I478-F505 HydrophobicContact CD1-CD1 3.96Å; I478-F505 HydrophobicContact CD1-CD2 4.04Å; I478-F505 HydrophobicContact CD1-CG 3.51Å; I478-F505 HydrophobicContact CG2-CD1 4Å; I478-F505 HydrophobicContact CG2-CD2 3.86Å; I478-F505 HydrophobicContact CG2-CE1 3.82Å; I478-F505 HydrophobicContact CG2-CE2 3.67Å; I478-F505 HydrophobicContact CG2-CG 4.02Å; I478-F505 HydrophobicContact CG2-CZ 3.65Å; D480-F505 HydrophobicContact CB-CE2 4.21Å; D480-F505 HydrophobicContact CB-CZ 4.12Å; F486-F505 HydrophobicContact CD1-CD2 4.49Å; F486-F505 AromaticContact CD2-CD2 3.86Å; F486-F505 HydrophobicContact CD2-CD2 3.86Å; F486-F505 AromaticContact CD2-CE2 3.63Å; F486-F505 HydrophobicContact CD2-CE2 3.63Å; F486-F505 HydrophobicContact CE2-CD2 4.07Å; F486-F505 AromaticContact CE2-CE2 3.53Å; F486-F505 HydrophobicContact CE2-CE2 3.53Å; F486-F505 HydrophobicContact CG-CD2 4.11Å; F486-F505 HydrophobicContact CG-CE2 4.33Å; F486-F505 HydrophobicContact CZ-CD2 4.43Å; F486-F505 HydrophobicContact CZ-CE2 4.11Å; F501-F505 PolarHBondContact O-N 3.15Å; V502-F505 WeakPolarHBondContact O-CB 3.42Å; V502-F505 PolarHBondContact O-N 2.87Å; F505-K507 PolarHBondContact O-N 2.76Å; F505-K507 VanDerWaalsContact O-N 3.11Å; F505-G508 PolarHBondContact O-N 2.84Å; F505-L510 HydrophobicContact CB-CD1 3.64Å; F505-L510 HydrophobicContact CB-CG 4.34Å; F505-L510 HydrophobicContact CD2-CD1 4.36Å; F505-L510 HydrophobicContact CG-CD1 4.5Å
506	K	97.7	Very high	95.6	Very high	113 Å²	113	66.2 Å²	66.2	49%	0.491	34%	0.34	S	S	.	.	H	α-helix	trans	-56.5	-30.7	178.1	-176.2	169.5	178.7	172.7	0	113	F445 E447 Y448 V502 T503	F445-K506 HydrophobicContact CD1-CD 4.24Å; F445-K506 HydrophobicContact CE1-CD 4.03Å; E447-K506 WeakPolarHBondContact OE1-CE 3.5Å; E447-K506 IonicContact OE1-NZ 3.43Å; E447-K506 PolarHBondContact OE1-NZ 2.96Å; Y448-K506 HydrophobicContact CE2-CB 4.42Å; Y448-K506 WeakPolarHBondContact OH-CB 3.27Å; Y448-K506 WeakPolarHBondContact OH-CG 3.47Å; V502-K506 WeakPolarHBondContact O-CB 3.42Å; V502-K506 PolarHBondContact O-N 3.35Å; T503-K506 PolarHBondContact O-N 3.19Å
507	K	97.8	Very high	95.3	Very high	137 Å²	137	64.5 Å²	64.5	60%	0.596	33%	0.328	S	S	*	.	T	Hydrogen-bonded Turn	trans	-86.6	1.9	176.8	-69.8	172.5	-177.3	170.7	0	113.9	T503 A504 F505 K509	T503-K507 HydrophobicContact CG2-CD 3.96Å; T503-K507 VanDerWaalsContact CG2-CE 3.46Å; T503-K507 WeakPolarHBondContact O-CB 3.45Å; T503-K507 VanDerWaalsContact O-CG 3.25Å; T503-K507 WeakPolarHBondContact O-CG 3.29Å; T503-K507 PolarHBondContact O-N 3.12Å; A504-K507 CarbonylContact O-C 3.5Å; A504-K507 PolarHBondContact O-N 2.99Å; F505-K507 PolarHBondContact O-N 2.76Å; F505-K507 VanDerWaalsContact O-N 3.11Å; K507-K509 VanDerWaalsContact C-N 3.27Å; K507-K509 HydrophobicContact CB-CD 4.23Å; K507-K509 HydrophobicContact CB-CG 4Å; K507-K509 PolarHBondContact O-N 3.3Å
508	G	96.1	Very high	94.9	Very high	69 Å²	69	68.3 Å²	68.3	71%	0.711	35%	0.354	S	S	*	.	T	Hydrogen-bonded Turn	trans	66.2	25	-177.8	0	0	0	0	0	114.1	A504 F505	A504-G508 PolarHBondContact O-N 2.98Å; F505-G508 PolarHBondContact O-N 2.84Å
509	K	96.9	Very high	94.7	Very high	156 Å²	156	72.2 Å²	72.2	68%	0.678	38%	0.377	S	S	*	.			trans	-93.1	-15.2	-174.7	-67.9	-173.3	175.4	-169.8	0	114.2	A504 K507	A504-K509 HydrophobicContact CB-CB 4.35Å; A504-K509 PolarHBondContact O-N 2.74Å; K507-K509 VanDerWaalsContact C-N 3.27Å; K507-K509 HydrophobicContact CB-CD 4.23Å; K507-K509 HydrophobicContact CB-CG 4Å; K507-K509 PolarHBondContact O-N 3.3Å
510	L	95.5	Very high	94.4	Very high	46 Å²	46	70.8 Å²	70.8	24%	0.241	38%	0.377	C	S	.	.	P	Polyproline II helix	trans	-80.9	149.1	179.2	-60.5	-176.9	0	0	0	111.3	F486 F501 A504 F505	F486-L510 HydrophobicContact CB-CD1 4.12Å; F486-L510 HydrophobicContact CD1-CB 3.5Å; F486-L510 VanDerWaalsContact CD1-CB 3.5Å; F486-L510 HydrophobicContact CD1-CD1 4.31Å; F486-L510 HydrophobicContact CE1-CB 4Å; F486-L510 HydrophobicContact CG-CB 4.39Å; F486-L510 HydrophobicContact CG-CD1 4.45Å; F501-L510 HydrophobicContact CD2-CD1 3.6Å; F501-L510 HydrophobicContact CD2-CD2 4.12Å; F501-L510 HydrophobicContact CE2-CD1 3.32Å; F501-L510 HydrophobicContact CE2-CD2 4.3Å; F501-L510 HydrophobicContact CE2-CG 4.44Å; F501-L510 HydrophobicContact CG-CD1 4.49Å; F501-L510 HydrophobicContact CZ-CD1 4.03Å; A504-L510 HydrophobicContact CB-CD2 3.65Å; A504-L510 HydrophobicContact CB-CG 3.95Å; F505-L510 HydrophobicContact CB-CD1 3.64Å; F505-L510 HydrophobicContact CB-CG 4.34Å; F505-L510 HydrophobicContact CD2-CD1 4.36Å; F505-L510 HydrophobicContact CG-CD1 4.5Å
511	K	91.1	Very high	94.1	Very high	185 Å²	185	74.9 Å²	74.9	80%	0.804	39%	0.392	S	S	*	.	P	Polyproline II helix	trans	-94.2	138.1	168.9	-66	-178.8	-178.5	178.1	0	109.1	F486	F486-K511 VanDerWaalsContact CD1-O 3.32Å; F486-K511 WeakPolarHBondContact CD1-O 3.47Å
512	P	92.7	Very high	93.7	Very high	55 Å²	55	79.7 Å²	79.7	36%	0.357	42%	0.419	S	S	.	.	P	Polyproline II helix	trans	-66.3	146.9	175.7	28.9	-34.5	0	0	0	110.6	K484 K485 F486	K484-P512 HydrophobicContact CB-CB 4.16Å; K484-P512 HydrophobicContact CD-CB 4.4Å; K484-P512 HydrophobicContact CD-CG 4.48Å; K484-P512 HydrophobicContact CG-CB 4.39Å; K485-P512 CarbonylContact O-C 3.55Å; K485-P512 VanDerWaalsContact O-CA 3.22Å; K485-P512 WeakPolarHBondContact O-CA 3.49Å; F486-P512 HydrophobicContact CD1-CB 4.44Å; F486-P512 HydrophobicContact CE1-CB 3.98Å; F486-P512 HydrophobicContact CZ-CB 4.08Å
513	V	91.6	Very high	93.5	Very high	34 Å²	34	81.6 Å²	81.6	21%	0.206	43%	0.429	C	S	.	.	P	Polyproline II helix	trans	-63.7	132.6	166.3	-179.4	0	0	0	0	108	L465 K485 A487	L465-V513 HydrophobicContact CD2-CG2 4.25Å; K485-V513 PolarHBondContact O-N 3.05Å; A487-V513 HydrophobicContact CB-CG2 3.5Å
514	I	89.1	Confident	93	Very high	59 Å²	59	88.6 Å²	88.6	30%	0.303	46%	0.456	S	S	.	.			trans	-99.7	109.5	174.6	-62.7	166	0	0	0	107.1	S516 D589 P591	I514-S516 PolarHBondContact O-N 3.39Å; I514-D589 HydrophobicContact CG2-CB 4.22Å; I514-P591 HydrophobicContact CD1-CB 3.85Å; I514-P591 HydrophobicContact CD1-CG 3.77Å; I514-P591 HydrophobicContact CG1-CB 4.31Å; I514-P591 HydrophobicContact CG1-CG 4.17Å; I514-P591 HydrophobicContact CG2-CG 3.78Å
515	K	88.3	Confident	92.6	Very high	63 Å²	63	89.1 Å²	89.1	27%	0.274	46%	0.464	S	S	.	.			trans	-56.7	127.6	170.2	-174.3	174.9	-179.7	151.5	0	108.9	D464 N588 D589	D464-K515 WeakPolarHBondContact OD1-CE 3.42Å; D464-K515 IonicContact OD1-NZ 3.27Å; D464-K515 WeakPolarHBondContact OD2-CE 3.37Å; D464-K515 IonicContact OD2-NZ 2.71Å; D464-K515 PolarHBondContact OD2-NZ 3.33Å; K515-N588 CarbonylContact O-C 3.57Å; K515-N588 VanDerWaalsContact O-CA 3.3Å; K515-N588 WeakPolarHBondContact O-CA 3.16Å; K515-D589 HydrophobicContact CB-CB 4.18Å; K515-D589 VanDerWaalsContact CB-CG 3.41Å; K515-D589 WeakPolarHBondContact CB-OD2 3.5Å; K515-D589 PolarHBondContact N-OD2 3.13Å; K515-D589 PolarHBondContact O-N 2.97Å
516	S	91.2	Very high	92.3	Very high	29 Å²	29	90.9 Å²	90.9	20%	0.203	48%	0.477	C	S	.	.			trans	-151.4	133.9	-176.8	-176.4	0	0	0	0	111.1	I514 V531 G532 K533 N588	I514-S516 PolarHBondContact O-N 3.39Å; S516-V531 WeakPolarHBondContact OG-CB 3.46Å; S516-V531 WeakPolarHBondContact OG-CG2 3.48Å; S516-G532 PolarHBondContact OG-N 2.84Å; S516-G532 VanDerWaalsContact OG-N 3.16Å; S516-K533 PolarHBondContact OG-N 3.01Å; S516-N588 WeakPolarHBondContact CA-OD1 3.49Å
517	Q	91	Very high	92.3	Very high	68 Å²	68	86 Å²	86	32%	0.318	46%	0.457	S	S	.	.	P	Polyproline II helix	trans	-59.6	159	160.4	-69.3	174.8	-51.7	0	0	110.5	V531 A587 N588	Q517-V531 HydrophobicContact CB-CB 4.36Å; Q517-V531 HydrophobicContact CB-CG1 3.8Å; Q517-A587 VanDerWaalsContact CD-CB 3.45Å; Q517-A587 HydrophobicContact CG-CB 3.66Å; Q517-N588 PolarHBondContact N-OD1 2.84Å; Q517-N588 PolarHBondContact OE1-ND2 2.89Å
518	P	88.7	Confident	92.3	Very high	117 Å²	117	82.6 Å²	82.6	76%	0.76	44%	0.442	S	S	*	.	P	Polyproline II helix	trans	-55.2	141.9	173.1	-24.7	34.2	0	0	0	111.3	P520	P518-P520 WeakPolarHBondContact O-CD 3.27Å
519	V	92.8	Very high	92.4	Very high	82 Å²	82	81.4 Å²	81.4	50%	0.497	42%	0.421	S	S	.	.	P	Polyproline II helix	trans	-58.9	124.1	175.2	-179.5	0	0	0	0	108.9	K521 V531 K533 T534	V519-K521 PolarHBondContact O-N 3.19Å; V519-K521 VanDerWaalsContact O-N 3.16Å; V519-V531 HydrophobicContact CG2-CG2 4.21Å; V519-K533 HydrophobicContact CG2-CB 4.39Å; V519-T534 HydrophobicContact CB-CG2 4.39Å; V519-T534 HydrophobicContact CG1-CG2 3.79Å; V519-T534 HydrophobicContact CG2-CG2 3.85Å
520	P	93.1	Very high	92.4	Very high	34 Å²	34	74 Å²	74	22%	0.221	39%	0.389	C	S	.	.	P	Polyproline II helix	trans	-56.7	122.2	-177.8	-26	33.1	0	0	0	111.6	P518 N522 N523 V529 V531	P518-P520 WeakPolarHBondContact O-CD 3.27Å; P520-N522 PolarHBondContact O-N 3.05Å; P520-N522 VanDerWaalsContact O-N 3.17Å; P520-N523 HydrophobicContact CB-CB 4.43Å; P520-V529 HydrophobicContact CG-CB 3.95Å; P520-V529 HydrophobicContact CG-CG1 3.76Å; P520-V531 HydrophobicContact CG-CG1 4.39Å
521	K	90.7	Very high	92.5	Very high	226 Å²	226	71.9 Å²	71.9	98%	0.983	38%	0.378	S	S	*	.	S	Bend	trans	-57.7	-31.3	178.1	-66.3	-175.4	-179.5	180	0	112.6	V519	V519-K521 PolarHBondContact O-N 3.19Å; V519-K521 VanDerWaalsContact O-N 3.16Å
522	N	91.2	Very high	92.5	Very high	117 Å²	117	63.1 Å²	63.1	63%	0.626	34%	0.34	S	S	*	.			trans	-129.3	108.8	174.9	-177.4	10.6	0	0	0	110.1	P520 K524	P520-N522 PolarHBondContact O-N 3.05Å; P520-N522 VanDerWaalsContact O-N 3.17Å; N522-K524 VanDerWaalsContact OD1-CB 3.32Å; N522-K524 WeakPolarHBondContact OD1-CB 3.47Å; N522-K524 VanDerWaalsContact OD1-CG 3.29Å; N522-K524 WeakPolarHBondContact OD1-CG 3.39Å; N522-K524 PolarHBondContact OD1-N 2.66Å
523	N	93.4	Very high	92.5	Very high	40 Å²	40	67.7 Å²	67.7	21%	0.214	35%	0.354	C	S	.	.			trans	-115.7	36.8	177.8	-155.6	1.8	0	0	0	111.7	P520 K528 V529	P520-N523 HydrophobicContact CB-CB 4.43Å; N523-K528 VanDerWaalsContact O-CD 3.28Å; N523-K528 WeakPolarHBondContact O-CD 3.35Å; N523-K528 WeakPolarHBondContact O-CE 3.42Å; N523-K528 PolarHBondContact O-NZ 3.08Å; N523-K528 WeakPolarHBondContact OD1-CA 3.45Å; N523-V529 PolarHBondContact ND2-O 2.89Å; N523-V529 PolarHBondContact OD1-N 2.8Å
524	K	88.8	Confident	92.7	Very high	185 Å²	185	66.7 Å²	66.7	80%	0.804	35%	0.348	S	S	*	.			trans	-88.7	0.1	-177.1	-64.9	178.6	-177	178.7	0	114.2	N522	N522-K524 VanDerWaalsContact OD1-CB 3.32Å; N522-K524 WeakPolarHBondContact OD1-CB 3.47Å; N522-K524 VanDerWaalsContact OD1-CG 3.29Å; N522-K524 WeakPolarHBondContact OD1-CG 3.39Å; N522-K524 PolarHBondContact OD1-N 2.66Å
525	G	89.6	Confident	93.1	Very high	34 Å²	34	63.9 Å²	63.9	35%	0.351	33%	0.334	S	S	.	.	S	Bend	trans	-61.1	164.2	177.6	0	0	0	0	0	113.6	V527 K528	G525-V527 VanDerWaalsContact C-N 3.32Å; G525-K528 PolarHBondContact O-NZ 2.81Å
526	P	91.3	Very high	93.4	Very high	60 Å²	60	65.4 Å²	65.4	39%	0.39	35%	0.345	S	S	.	.	S	Bend	trans	-64.3	-38.9	176.3	27.7	-33.7	0	0	0	111.3	A569	P526-A569 HydrophobicContact CB-CB 3.88Å
527	V	97.4	Very high	93.6	Very high	10 Å²	10	67.8 Å²	67.8	6%	0.061	36%	0.362	C	S	.	.	S	Bend	trans	-93.3	124.7	167.9	-173.1	0	0	0	0	108.5	G525 Y565 N566 A569 I580 K582	G525-V527 VanDerWaalsContact C-N 3.32Å; V527-Y565 HydrophobicContact CG1-CD1 4.02Å; V527-Y565 HydrophobicContact CG1-CE1 3.97Å; V527-Y565 HydrophobicContact CG2-CD1 4.04Å; V527-N566 WeakPolarHBondContact CG2-OD1 3.46Å; V527-A569 HydrophobicContact CG2-CB 3.55Å; V527-I580 CarbonylContact C-O 3.52Å; V527-I580 WeakPolarHBondContact CA-O 3.24Å; V527-I580 HydrophobicContact CG2-CG2 4.45Å; V527-K582 HydrophobicContact CG1-CB 3.91Å; V527-K582 HydrophobicContact CG1-CD 3.99Å; V527-K582 HydrophobicContact CG1-CG 3.69Å
528	K	97.5	Very high	93.8	Very high	66 Å²	66	66.1 Å²	66.1	29%	0.287	36%	0.355	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.8	128.1	174.8	-63.8	-52.6	-175.5	-160.1	0	110.7	N523 G525 V579 I580 A581 K582	N523-K528 VanDerWaalsContact O-CD 3.28Å; N523-K528 WeakPolarHBondContact O-CD 3.35Å; N523-K528 WeakPolarHBondContact O-CE 3.42Å; N523-K528 PolarHBondContact O-NZ 3.08Å; N523-K528 WeakPolarHBondContact OD1-CA 3.45Å; G525-K528 PolarHBondContact O-NZ 2.81Å; K528-V579 HydrophobicContact CB-CG1 4.1Å; K528-V579 HydrophobicContact CG-CG1 3.61Å; K528-I580 PolarHBondContact N-O 3.29Å; K528-A581 HydrophobicContact CB-CB 4.21Å; K528-A581 CarbonylContact O-C 3.52Å; K528-A581 WeakPolarHBondContact O-CA 3.49Å; K528-K582 PolarHBondContact O-N 2.9Å
529	V	97.9	Very high	94.3	Very high	44 Å²	44	60.6 Å²	60.6	27%	0.267	32%	0.319	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.1	122.2	171.3	179.7	0	0	0	0	108.2	P520 N523	P520-V529 HydrophobicContact CG-CB 3.95Å; P520-V529 HydrophobicContact CG-CG1 3.76Å; N523-V529 PolarHBondContact ND2-O 2.89Å; N523-V529 PolarHBondContact OD1-N 2.8Å
530	V	98.2	Very high	94.4	Very high	0 Å²	0	58.8 Å²	58.8	0%	0	31%	0.306	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.6	130.7	176.1	176.9	0	0	0	0	108.1	F535 I538 V539 I548 A581 K582 M583	V530-F535 HydrophobicContact CG1-CB 4.17Å; V530-F535 HydrophobicContact CG1-CD2 3.93Å; V530-F535 HydrophobicContact CG1-CG 4.47Å; V530-I538 HydrophobicContact CG2-CB 4.15Å; V530-I538 HydrophobicContact CG2-CD1 4.05Å; V530-I538 HydrophobicContact CG2-CG2 3.79Å; V530-V539 HydrophobicContact CG1-CG2 4.07Å; V530-V539 HydrophobicContact CG2-CG2 4.14Å; V530-I548 HydrophobicContact CB-CD1 4.3Å; V530-I548 HydrophobicContact CG1-CD1 4.34Å; V530-I548 HydrophobicContact CG2-CD1 4.32Å; V530-A581 HydrophobicContact CG2-CB 3.8Å; V530-K582 PolarHBondContact N-O 2.8Å; V530-M583 HydrophobicContact CB-CB 4.2Å; V530-M583 HydrophobicContact CG1-SD 4.1Å; V530-M583 WeakPolarHBondContact O-CA 2.81Å; V530-M583 WeakPolarHBondContact O-CG 3.36Å
531	V	96.3	Very high	94.6	Very high	1 Å²	1	59.3 Å²	59.3	1%	0.006	31%	0.306	C	S	.	.			trans	-114.3	163.9	169.3	-59	0	0	0	0	109.1	S516 Q517 V519 P520 K533 T534 F535 N588	S516-V531 WeakPolarHBondContact OG-CB 3.46Å; S516-V531 WeakPolarHBondContact OG-CG2 3.48Å; Q517-V531 HydrophobicContact CB-CB 4.36Å; Q517-V531 HydrophobicContact CB-CG1 3.8Å; V519-V531 HydrophobicContact CG2-CG2 4.21Å; P520-V531 HydrophobicContact CG-CG1 4.39Å; V531-K533 VanDerWaalsContact C-N 3.27Å; V531-K533 PolarHBondContact O-N 2.91Å; V531-T534 HydrophobicContact CG2-CG2 3.83Å; V531-T534 WeakPolarHBondContact CG2-OG1 3.48Å; V531-T534 PolarHBondContact N-OG1 3.1Å; V531-T534 CarbonylContact O-C 3.44Å; V531-T534 WeakPolarHBondContact O-CA 3.37Å; V531-T534 PolarHBondContact O-N 2.92Å; V531-T534 PolarHBondContact O-OG1 3.4Å; V531-F535 PolarHBondContact O-N 2.85Å; V531-F535 VanDerWaalsContact O-N 3.07Å; V531-N588 VanDerWaalsContact CA-OD1 3.28Å; V531-N588 WeakPolarHBondContact CA-OD1 3.33Å; V531-N588 VanDerWaalsContact CB-OD1 3.23Å; V531-N588 WeakPolarHBondContact CB-OD1 3.31Å
532	G	92.8	Very high	94.8	Very high	2 Å²	2	52.1 Å²	52.1	2%	0.021	28%	0.283	C	S	.	.	G	3₁₀ helix	trans	-49.7	-46.1	-176.2	0	0	0	0	0	113	S516 T534 F535 N588	S516-G532 PolarHBondContact OG-N 2.84Å; S516-G532 VanDerWaalsContact OG-N 3.16Å; G532-T534 PolarHBondContact O-N 2.91Å; G532-F535 WeakPolarHBondContact O-CB 3.41Å; G532-F535 PolarHBondContact O-N 3.29Å; G532-N588 PolarHBondContact N-OD1 2.94Å
533	K	91.5	Very high	95	Very high	150 Å²	150	54.1 Å²	54.1	65%	0.652	29%	0.286	S	S	*	.	G	3₁₀ helix	trans	-64.9	-18.9	177.9	-75.1	175	-178.8	-176	0	114.7	S516 V519 V531	S516-K533 PolarHBondContact OG-N 3.01Å; V519-K533 HydrophobicContact CG2-CB 4.39Å; V531-K533 VanDerWaalsContact C-N 3.27Å; V531-K533 PolarHBondContact O-N 2.91Å
534	T	95.9	Very high	95.1	Very high	13 Å²	13	55.3 Å²	55.3	8%	0.08	29%	0.289	C	S	.	.	G	3₁₀ helix	trans	-107.6	-5.7	-179.5	58.7	0	0	0	0	114	V519 V531 G532 D536 S537 I538	V519-T534 HydrophobicContact CB-CG2 4.39Å; V519-T534 HydrophobicContact CG1-CG2 3.79Å; V519-T534 HydrophobicContact CG2-CG2 3.85Å; V531-T534 HydrophobicContact CG2-CG2 3.83Å; V531-T534 WeakPolarHBondContact CG2-OG1 3.48Å; V531-T534 PolarHBondContact N-OG1 3.1Å; V531-T534 CarbonylContact O-C 3.44Å; V531-T534 WeakPolarHBondContact O-CA 3.37Å; V531-T534 PolarHBondContact O-N 2.92Å; V531-T534 PolarHBondContact O-OG1 3.4Å; G532-T534 PolarHBondContact O-N 2.91Å; T534-D536 PolarHBondContact O-N 3.03Å; T534-S537 PolarHBondContact O-N 2.97Å; T534-S537 PolarHBondContact O-OG 3.23Å; T534-I538 PolarHBondContact O-N 2.84Å
535	F	96.9	Very high	95.6	Very high	0 Å²	0	46.6 Å²	46.6	0%	0	25%	0.251	C	S	.	.	H	α-helix	trans	-53.8	-53	-174.7	-171	-87.8	0	0	0	111.7	V530 V531 G532 S537 I538 V539 M540 I548 F550 M583 V590 P591 Y595	V530-F535 HydrophobicContact CG1-CB 4.17Å; V530-F535 HydrophobicContact CG1-CD2 3.93Å; V530-F535 HydrophobicContact CG1-CG 4.47Å; V531-F535 PolarHBondContact O-N 2.85Å; V531-F535 VanDerWaalsContact O-N 3.07Å; G532-F535 WeakPolarHBondContact O-CB 3.41Å; G532-F535 PolarHBondContact O-N 3.29Å; F535-S537 PolarHBondContact O-N 2.87Å; F535-I538 PolarHBondContact O-N 3.44Å; F535-V539 HydrophobicContact CD1-CB 4.26Å; F535-V539 HydrophobicContact CD2-CB 4.36Å; F535-V539 HydrophobicContact CD2-CG2 3.84Å; F535-V539 HydrophobicContact CE1-CB 4.05Å; F535-V539 HydrophobicContact CE1-CG1 4.14Å; F535-V539 HydrophobicContact CE2-CB 4.15Å; F535-V539 HydrophobicContact CE2-CG1 4.18Å; F535-V539 HydrophobicContact CE2-CG2 3.82Å; F535-V539 HydrophobicContact CG-CB 4.41Å; F535-V539 HydrophobicContact CG-CG2 4.22Å; F535-V539 HydrophobicContact CZ-CB 4Å; F535-V539 HydrophobicContact CZ-CG1 3.79Å; F535-V539 HydrophobicContact CZ-CG2 4.2Å; F535-V539 WeakPolarHBondContact O-CA 3.41Å; F535-V539 VanDerWaalsContact O-CB 3.3Å; F535-V539 WeakPolarHBondContact O-CB 3.39Å; F535-V539 PolarHBondContact O-N 3.5Å; F535-M540 HydrophobicContact CD1-CG 4.1Å; F535-M540 HydrophobicContact CE1-CG 3.99Å; F535-M540 HydrophobicContact CE1-SD 4.05Å; F535-M540 PolarHBondContact O-N 2.98Å; F535-I548 HydrophobicContact CD2-CD1 4.35Å; F535-I548 HydrophobicContact CE2-CD1 3.89Å; F535-F550 AromaticContact CE2-CE1 3.8Å; F535-F550 HydrophobicContact CE2-CE1 3.8Å; F535-F550 AromaticContact CE2-CZ 3.74Å; F535-F550 HydrophobicContact CE2-CZ 3.74Å; F535-F550 HydrophobicContact CZ-CZ 4.19Å; F535-M583 HydrophobicContact CD2-CE 4.37Å; F535-M583 HydrophobicContact CD2-SD 3.64Å; F535-M583 HydrophobicContact CE2-SD 4.05Å; F535-V590 HydrophobicContact CD2-CG1 4.38Å; F535-V590 HydrophobicContact CE1-CG1 4.42Å; F535-V590 HydrophobicContact CE2-CG1 3.75Å; F535-V590 HydrophobicContact CZ-CG1 3.77Å; F535-P591 HydrophobicContact CB-CG 4Å; F535-P591 HydrophobicContact CD1-CG 4.45Å; F535-P591 HydrophobicContact CG-CG 4.35Å; F535-Y595 HydrophobicContact CE1-CD2 4.13Å; F535-Y595 AromaticContact CE1-CE2 3.87Å; F535-Y595 HydrophobicContact CE1-CE2 3.87Å; F535-Y595 HydrophobicContact CZ-CD1 4.42Å; F535-Y595 AromaticContact CZ-CD2 3.67Å; F535-Y595 HydrophobicContact CZ-CD2 3.67Å; F535-Y595 HydrophobicContact CZ-CE1 4.38Å; F535-Y595 AromaticContact CZ-CE2 3.63Å; F535-Y595 HydrophobicContact CZ-CE2 3.63Å; F535-Y595 HydrophobicContact CZ-CG 4.07Å; F535-Y595 AromaticContact CZ-CZ 4Å
536	D	94.2	Very high	96	Very high	95 Å²	95	45 Å²	45	51%	0.508	24%	0.235	S	C	.	.	H	α-helix	trans	-62.2	-42.2	-179.5	-73	-15.3	0	0	0	112.4	T534 I538 M540	T534-D536 PolarHBondContact O-N 3.03Å; D536-I538 VanDerWaalsContact C-N 3.3Å; D536-I538 PolarHBondContact O-N 3.28Å; D536-M540 CarbonylContact O-C 3.56Å; D536-M540 WeakPolarHBondContact O-CA 3.15Å; D536-M540 VanDerWaalsContact O-CB 3.32Å; D536-M540 WeakPolarHBondContact O-CB 3.49Å; D536-M540 PolarHBondContact O-N 3.44Å
537	S	95.8	Very high	96.3	Very high	80 Å²	80	42.1 Å²	42.1	56%	0.559	22%	0.216	S	C	*	.	H	α-helix	trans	-69.5	-24.5	-178	67.3	0	0	0	0	114.3	T534 F535	T534-S537 PolarHBondContact O-N 2.97Å; T534-S537 PolarHBondContact O-OG 3.23Å; F535-S537 PolarHBondContact O-N 2.87Å
538	I	96.7	Very high	96.3	Very high	33 Å²	33	41.6 Å²	41.6	17%	0.169	21%	0.213	C	C	.	.	H	α-helix	trans	-105.6	-55.8	-176.2	-62.8	175	0	0	0	110.6	V530 T534 F535 D536 V546 V579	V530-I538 HydrophobicContact CG2-CB 4.15Å; V530-I538 HydrophobicContact CG2-CD1 4.05Å; V530-I538 HydrophobicContact CG2-CG2 3.79Å; T534-I538 PolarHBondContact O-N 2.84Å; F535-I538 PolarHBondContact O-N 3.44Å; D536-I538 VanDerWaalsContact C-N 3.3Å; D536-I538 PolarHBondContact O-N 3.28Å; I538-V546 WeakPolarHBondContact O-CG2 3.18Å; I538-V579 HydrophobicContact CG2-CG1 4.23Å
539	V	97.6	Very high	96.4	Very high	0 Å²	0	38.7 Å²	38.7	0%	0	20%	0.201	C	C	.	.	T	Hydrogen-bonded Turn	trans	-79.9	-40.2	-172.1	-171.3	0	0	0	0	110.8	V530 F535 V546 I548 Y595 A606 K611	V530-V539 HydrophobicContact CG1-CG2 4.07Å; V530-V539 HydrophobicContact CG2-CG2 4.14Å; F535-V539 HydrophobicContact CD1-CB 4.26Å; F535-V539 HydrophobicContact CD2-CB 4.36Å; F535-V539 HydrophobicContact CD2-CG2 3.84Å; F535-V539 HydrophobicContact CE1-CB 4.05Å; F535-V539 HydrophobicContact CE1-CG1 4.14Å; F535-V539 HydrophobicContact CE2-CB 4.15Å; F535-V539 HydrophobicContact CE2-CG1 4.18Å; F535-V539 HydrophobicContact CE2-CG2 3.82Å; F535-V539 HydrophobicContact CG-CB 4.41Å; F535-V539 HydrophobicContact CG-CG2 4.22Å; F535-V539 HydrophobicContact CZ-CB 4Å; F535-V539 HydrophobicContact CZ-CG1 3.79Å; F535-V539 HydrophobicContact CZ-CG2 4.2Å; F535-V539 WeakPolarHBondContact O-CA 3.41Å; F535-V539 VanDerWaalsContact O-CB 3.3Å; F535-V539 WeakPolarHBondContact O-CB 3.39Å; F535-V539 PolarHBondContact O-N 3.5Å; V539-V546 HydrophobicContact CG1-CG1 4.35Å; V539-I548 HydrophobicContact CG1-CD1 4.46Å; V539-I548 HydrophobicContact CG1-CG2 4.2Å; V539-I548 HydrophobicContact CG2-CD1 3.46Å; V539-I548 VanDerWaalsContact CG2-CD1 3.46Å; V539-Y595 HydrophobicContact CG1-CE1 4.2Å; V539-Y595 WeakPolarHBondContact CG1-OH 3.32Å; V539-A606 HydrophobicContact CG1-CB 4.3Å; V539-K611 WeakPolarHBondContact O-CD 3.34Å; V539-K611 VanDerWaalsContact O-CE 3.24Å; V539-K611 WeakPolarHBondContact O-CE 3.32Å; V539-K611 PolarHBondContact O-NZ 2.94Å
540	M	96.1	Very high	96.4	Very high	45 Å²	45	36.6 Å²	36.6	22%	0.222	19%	0.188	C	C	.	.	S	Bend	trans	-91.5	10.7	-177.6	-50.5	-63.9	-77.8	0	0	113.5	F535 D536 P542 Y595 K611	F535-M540 HydrophobicContact CD1-CG 4.1Å; F535-M540 HydrophobicContact CE1-CG 3.99Å; F535-M540 HydrophobicContact CE1-SD 4.05Å; F535-M540 PolarHBondContact O-N 2.98Å; D536-M540 CarbonylContact O-C 3.56Å; D536-M540 WeakPolarHBondContact O-CA 3.15Å; D536-M540 VanDerWaalsContact O-CB 3.32Å; D536-M540 WeakPolarHBondContact O-CB 3.49Å; D536-M540 PolarHBondContact O-N 3.44Å; M540-P542 VanDerWaalsContact O-CD 3.24Å; M540-P542 WeakPolarHBondContact O-CD 3.47Å; M540-P542 VanDerWaalsContact O-N 3.16Å; M540-Y595 HydrophobicContact SD-CE2 3.95Å; M540-K611 HydrophobicContact CE-CB 3.85Å; M540-K611 WeakPolarHBondContact CE-O 3.2Å; M540-K611 HydrophobicContact SD-CB 4.16Å
541	D	95.9	Very high	96.4	Very high	44 Å²	44	38.8 Å²	38.8	24%	0.235	20%	0.196	C	C	.	.			trans	-65.1	111.1	172.8	179.1	-3.5	0	0	0	110.1	K543 K544 K611	D541-K543 PolarHBondContact O-N 2.94Å; D541-K543 WeakPolarHBondContact OD1-CB 3.38Å; D541-K543 PolarHBondContact OD1-N 3.15Å; D541-K544 HydrophobicContact CB-CB 4.49Å; D541-K544 HydrophobicContact CB-CG 4.29Å; D541-K544 PolarHBondContact O-N 2.88Å; D541-K544 VanDerWaalsContact O-N 3.14Å; D541-K544 WeakPolarHBondContact OD2-CG 3.4Å; D541-K611 WeakPolarHBondContact O-CE 3.33Å; D541-K611 PolarHBondContact O-NZ 3.49Å
542	P	95.4	Very high	96.4	Very high	76 Å²	76	38.7 Å²	38.7	49%	0.494	20%	0.196	S	C	.	.	T	Hydrogen-bonded Turn	trans	-63.7	-12.5	-175.7	28.6	-36.4	0	0	0	113.2	M540 S608 G609	M540-P542 VanDerWaalsContact O-CD 3.24Å; M540-P542 WeakPolarHBondContact O-CD 3.47Å; M540-P542 VanDerWaalsContact O-N 3.16Å; P542-S608 CarbonylContact O-C 3.49Å; P542-S608 WeakPolarHBondContact O-CA 3.49Å; P542-S608 PolarHBondContact O-OG 3.21Å; P542-G609 PolarHBondContact O-N 2.95Å
543	K	95.6	Very high	96.4	Very high	159 Å²	159	41.8 Å²	41.8	69%	0.691	22%	0.216	S	C	*	.	T	Hydrogen-bonded Turn	trans	-90.3	-5.2	-179	-58.5	176.8	-177	174.2	0	114.2	D541 S608	D541-K543 PolarHBondContact O-N 2.94Å; D541-K543 WeakPolarHBondContact OD1-CB 3.38Å; D541-K543 PolarHBondContact OD1-N 3.15Å; K543-S608 VanDerWaalsContact C-OG 3.23Å
544	K	96.3	Very high	96.3	Very high	64 Å²	64	43.1 Å²	43.1	28%	0.278	22%	0.217	S	C	.	.	S	Bend	trans	-122.4	139.9	-175.2	-60	-63	-175	-176.2	0	111.2	D541 V546 K576 G577 V579 S608 K611	D541-K544 HydrophobicContact CB-CB 4.49Å; D541-K544 HydrophobicContact CB-CG 4.29Å; D541-K544 PolarHBondContact O-N 2.88Å; D541-K544 VanDerWaalsContact O-N 3.14Å; D541-K544 WeakPolarHBondContact OD2-CG 3.4Å; K544-V546 HydrophobicContact CB-CG2 4.05Å; K544-K576 PolarHBondContact NZ-O 2.75Å; K544-G577 CarbonylContact C-O 3.54Å; K544-G577 WeakPolarHBondContact CA-O 3.49Å; K544-V579 HydrophobicContact CB-CG2 4.22Å; K544-V579 HydrophobicContact CD-CG2 4.35Å; K544-V579 HydrophobicContact CG-CG2 4.22Å; K544-S608 WeakPolarHBondContact O-CA 3.48Å; K544-S608 PolarHBondContact O-N 3.37Å; K544-K611 VanDerWaalsContact O-CE 3.29Å; K544-K611 WeakPolarHBondContact O-CE 3.45Å; K544-K611 PolarHBondContact O-NZ 3.24Å
545	D	97.8	Very high	96.2	Very high	2 Å²	2	43.1 Å²	43.1	1%	0.011	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-75	137.9	155.2	-69.8	-32.1	0	0	0	108.1	G577 L578 V579 F605 S608 T636 K637	D545-G577 PolarHBondContact N-O 3.26Å; D545-L578 HydrophobicContact CB-CD1 3.84Å; D545-L578 CarbonylContact O-C 3.6Å; D545-L578 WeakPolarHBondContact O-CA 3.47Å; D545-V579 PolarHBondContact O-N 3.16Å; D545-F605 HydrophobicContact CB-CE1 4.19Å; D545-F605 HydrophobicContact CB-CE2 4.33Å; D545-F605 HydrophobicContact CB-CZ 3.58Å; D545-S608 WeakPolarHBondContact OD1-CB 3.46Å; D545-S608 PolarHBondContact OD1-N 3.35Å; D545-T636 VanDerWaalsContact CG-OG1 3.3Å; D545-T636 PolarHBondContact OD1-N 2.75Å; D545-T636 PolarHBondContact OD1-OG1 2.66Å; D545-T636 PolarHBondContact OD2-N 3.35Å; D545-T636 PolarHBondContact OD2-OG1 3.34Å; D545-T636 VanDerWaalsContact OD2-OG1 3.06Å; D545-K637 PolarHBondContact OD2-N 2.95Å
546	V	98	Very high	96.1	Very high	0 Å²	0	45.1 Å²	45.1	0%	0	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.2	119.3	-178.5	-173.8	0	0	0	0	110	I538 V539 K544 I548 V579 A581 F605 A606	I538-V546 WeakPolarHBondContact O-CG2 3.18Å; V539-V546 HydrophobicContact CG1-CG1 4.35Å; K544-V546 HydrophobicContact CB-CG2 4.05Å; V546-I548 HydrophobicContact CG1-CB 4.5Å; V546-V579 CarbonylContact C-O 3.59Å; V546-V579 VanDerWaalsContact CA-O 3.29Å; V546-V579 WeakPolarHBondContact CA-O 3.36Å; V546-V579 HydrophobicContact CG1-CB 4.27Å; V546-V579 HydrophobicContact CG1-CG1 4.5Å; V546-V579 HydrophobicContact CG2-CB 4.16Å; V546-A581 HydrophobicContact CG1-CB 4.23Å; V546-F605 CarbonylContact O-C 3.5Å; V546-F605 WeakPolarHBondContact O-CA 3.33Å; V546-A606 HydrophobicContact CB-CB 4.29Å; V546-A606 PolarHBondContact N-O 3.01Å; V546-A606 PolarHBondContact O-N 2.81Å
547	L	98.3	Very high	96.1	Very high	0 Å²	0	46 Å²	46	0%	0	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.3	122.3	162.9	-170.2	78	0	0	0	107.4	Y565 L568 V579 I580 A581 I603 Y604 F605 F630 I631	L547-Y565 HydrophobicContact CD2-CE2 3.73Å; L547-Y565 HydrophobicContact CG-CE2 4.46Å; L547-Y565 WeakPolarHBondContact CG-OH 3.06Å; L547-Y565 PolarHBondContact O-OH 3.3Å; L547-L568 HydrophobicContact CD2-CD2 3.62Å; L547-V579 PolarHBondContact N-O 3.33Å; L547-I580 HydrophobicContact CB-CD1 3.69Å; L547-I580 HydrophobicContact CD2-CD1 4.13Å; L547-A581 PolarHBondContact O-N 2.87Å; L547-I603 HydrophobicContact CD1-CG2 3.67Å; L547-I603 HydrophobicContact CD2-CG2 4.41Å; L547-I603 HydrophobicContact CG-CG2 3.97Å; L547-Y604 CarbonylContact C-O 3.59Å; L547-Y604 WeakPolarHBondContact CA-O 3.31Å; L547-F605 HydrophobicContact CB-CD2 4.21Å; L547-F605 HydrophobicContact CD1-CB 4.16Å; L547-F605 HydrophobicContact CD1-CD2 3.91Å; L547-F630 HydrophobicContact CD1-CD1 3.89Å; L547-F630 HydrophobicContact CD1-CE1 3.87Å; L547-I631 HydrophobicContact CD1-CG1 4.45Å; L547-I631 HydrophobicContact CD2-CD1 3.95Å; L547-I631 HydrophobicContact CD2-CG1 4.11Å
548	I	98.5	Very high	96.1	Very high	0 Å²	0	42.5 Å²	42.5	0%	0	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.8	127.1	178.9	-176.8	160.3	0	0	0	111.4	V530 F535 V539 V546 F550 A581 M583 Y595 I603 Y604	V530-I548 HydrophobicContact CB-CD1 4.3Å; V530-I548 HydrophobicContact CG1-CD1 4.34Å; V530-I548 HydrophobicContact CG2-CD1 4.32Å; F535-I548 HydrophobicContact CD2-CD1 4.35Å; F535-I548 HydrophobicContact CE2-CD1 3.89Å; V539-I548 HydrophobicContact CG1-CD1 4.46Å; V539-I548 HydrophobicContact CG1-CG2 4.2Å; V539-I548 HydrophobicContact CG2-CD1 3.46Å; V539-I548 VanDerWaalsContact CG2-CD1 3.46Å; V546-I548 HydrophobicContact CG1-CB 4.5Å; I548-F550 HydrophobicContact CD1-CE1 4.09Å; I548-F550 HydrophobicContact CD1-CZ 4.01Å; I548-F550 HydrophobicContact CG1-CE1 4.46Å; I548-F550 HydrophobicContact CG1-CE2 4.29Å; I548-F550 HydrophobicContact CG1-CZ 4.2Å; I548-F550 HydrophobicContact CG2-CE2 3.85Å; I548-F550 HydrophobicContact CG2-CZ 4.11Å; I548-A581 WeakPolarHBondContact CA-O 3.48Å; I548-A581 HydrophobicContact CB-CB 4.38Å; I548-A581 HydrophobicContact CG1-CB 4.39Å; I548-M583 HydrophobicContact CD1-CB 4.15Å; I548-Y595 HydrophobicContact CG2-CD1 4.37Å; I548-Y595 HydrophobicContact CG2-CE1 4.02Å; I548-I603 WeakPolarHBondContact O-CA 3.34Å; I548-Y604 PolarHBondContact N-O 3.2Å; I548-Y604 PolarHBondContact O-N 3.41Å
549	E	98.5	Very high	96.1	Very high	5 Å²	5	46.7 Å²	46.7	2%	0.023	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.6	122.5	168.6	-177.8	-164.9	-176.1	0	0	110.1	L561 Y565 A581 K582 M583 P601 I603	E549-L561 HydrophobicContact CG-CD2 4.3Å; E549-L561 WeakPolarHBondContact OE1-CD2 3.39Å; E549-Y565 HydrophobicContact CB-CE1 3.96Å; E549-Y565 HydrophobicContact CB-CE2 4.04Å; E549-Y565 PolarHBondContact N-OH 2.98Å; E549-A581 PolarHBondContact N-O 2.87Å; E549-K582 HydrophobicContact CB-CB 4.32Å; E549-K582 CarbonylContact O-C 3.49Å; E549-K582 VanDerWaalsContact O-CA 3.27Å; E549-K582 WeakPolarHBondContact O-CA 3.24Å; E549-M583 PolarHBondContact O-N 3.33Å; E549-P601 HydrophobicContact CG-CB 3.99Å; E549-I603 HydrophobicContact CB-CG1 4.33Å; E549-I603 HydrophobicContact CG-CG1 4.23Å
550	F	98.5	Very high	96	Very high	0 Å²	0	53.7 Å²	53.7	0%	0	26%	0.264	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.7	120.4	164.8	-58.4	-84.4	0	0	0	109	F535 I548 M583 A585 V590 Y595 V597 P601 T602 Y604	F535-F550 AromaticContact CE2-CE1 3.8Å; F535-F550 HydrophobicContact CE2-CE1 3.8Å; F535-F550 AromaticContact CE2-CZ 3.74Å; F535-F550 HydrophobicContact CE2-CZ 3.74Å; F535-F550 HydrophobicContact CZ-CZ 4.19Å; I548-F550 HydrophobicContact CD1-CE1 4.09Å; I548-F550 HydrophobicContact CD1-CZ 4.01Å; I548-F550 HydrophobicContact CG1-CE1 4.46Å; I548-F550 HydrophobicContact CG1-CE2 4.29Å; I548-F550 HydrophobicContact CG1-CZ 4.2Å; I548-F550 HydrophobicContact CG2-CE2 3.85Å; I548-F550 HydrophobicContact CG2-CZ 4.11Å; F550-M583 WeakPolarHBondContact CA-O 3.26Å; F550-M583 HydrophobicContact CD1-CB 4.07Å; F550-M583 HydrophobicContact CD1-CG 4.26Å; F550-M583 HydrophobicContact CD1-SD 4.01Å; F550-M583 HydrophobicContact CE1-CB 4.37Å; F550-M583 HydrophobicContact CE1-CG 4.47Å; F550-M583 HydrophobicContact CE1-SD 3.66Å; F550-A585 HydrophobicContact CB-CB 4.04Å; F550-A585 HydrophobicContact CD1-CB 4.14Å; F550-V590 HydrophobicContact CD1-CG2 3.8Å; F550-V590 HydrophobicContact CE1-CB 4.31Å; F550-V590 HydrophobicContact CE1-CG1 3.81Å; F550-V590 HydrophobicContact CE1-CG2 3.46Å; F550-V590 VanDerWaalsContact CE1-CG2 3.46Å; F550-V590 HydrophobicContact CZ-CG1 4Å; F550-V590 HydrophobicContact CZ-CG2 4.37Å; F550-Y595 AromaticContact CE2-CD1 3.69Å; F550-Y595 HydrophobicContact CE2-CD1 3.69Å; F550-Y595 HydrophobicContact CE2-CG 4.18Å; F550-Y595 AromaticContact CZ-CD1 3.75Å; F550-Y595 HydrophobicContact CZ-CD1 3.75Å; F550-Y595 AromaticContact CZ-CG 3.93Å; F550-Y595 HydrophobicContact CZ-CG 3.93Å; F550-V597 HydrophobicContact CB-CG1 3.87Å; F550-V597 HydrophobicContact CB-CG2 3.75Å; F550-V597 HydrophobicContact CD1-CG2 3.84Å; F550-V597 HydrophobicContact CD2-CG2 3.74Å; F550-V597 HydrophobicContact CE1-CG2 4.35Å; F550-V597 HydrophobicContact CE2-CG2 4.28Å; F550-V597 HydrophobicContact CG-CG2 3.49Å; F550-V597 VanDerWaalsContact CG-CG2 3.49Å; F550-P601 VanDerWaalsContact O-CA 3.31Å; F550-P601 WeakPolarHBondContact O-CA 3.39Å; F550-T602 PolarHBondContact N-O 3.22Å; F550-T602 PolarHBondContact O-N 3.27Å; F550-Y604 HydrophobicContact CD2-CD2 4.22Å; F550-Y604 AromaticContact CE2-CD2 3.87Å; F550-Y604 HydrophobicContact CE2-CD2 3.87Å
551	Y	97.9	Very high	96	Very high	45 Å²	45	51.8 Å²	51.8	18%	0.176	25%	0.254	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.8	167.7	-174.2	76.8	-82.7	0	0	0	112.1	P553 C558 K582 M583 D584 A585	Y551-P553 HydrophobicContact CE2-CG 4.31Å; Y551-C558 VanDerWaalsContact CB-SG 3.52Å; Y551-K582 HydrophobicContact CD1-CB 4.11Å; Y551-K582 HydrophobicContact CD1-CD 4.49Å; Y551-K582 HydrophobicContact CD1-CG 4.48Å; Y551-K582 HydrophobicContact CE1-CB 4.02Å; Y551-K582 HydrophobicContact CE1-CD 3.97Å; Y551-K582 HydrophobicContact CE1-CG 3.92Å; Y551-M583 VanDerWaalsContact CD1-C 3.42Å; Y551-M583 WeakPolarHBondContact CD1-O 3.46Å; Y551-M583 PolarHBondContact N-O 3.41Å; Y551-D584 HydrophobicContact CE1-CB 4.13Å; Y551-D584 VanDerWaalsContact CE1-N 3.31Å; Y551-D584 HydrophobicContact CE2-CB 4.31Å; Y551-D584 WeakPolarHBondContact O-CA 3.25Å; Y551-A585 PolarHBondContact O-N 3.11Å
552	A	95.9	Very high	96	Very high	0 Å²	0	53.7 Å²	53.7	0%	0	26%	0.262	C	S	.	.			trans	-123.2	134.1	168.5	0	0	0	0	0	109.6	W554 C555 T586 F600	A552-W554 HydrophobicContact CB-CD2 4.15Å; A552-W554 HydrophobicContact CB-CH2 4.43Å; A552-W554 HydrophobicContact CB-CZ2 3.9Å; A552-W554 PolarHBondContact O-N 3.44Å; A552-W554 VanDerWaalsContact O-N 3.09Å; A552-C555 HydrophobicContact CB-CB 4.12Å; A552-C555 WeakPolarHBondContact O-CB 3.26Å; A552-C555 PolarHBondContact O-N 2.84Å; A552-T586 HydrophobicContact CB-CG2 3.47Å; A552-T586 VanDerWaalsContact CB-CG2 3.47Å; A552-F600 HydrophobicContact CB-CB 4.28Å; A552-F600 HydrophobicContact CB-CD1 4.18Å; A552-F600 HydrophobicContact CB-CD2 3.58Å; A552-F600 HydrophobicContact CB-CE1 4.43Å; A552-F600 HydrophobicContact CB-CE2 3.87Å; A552-F600 HydrophobicContact CB-CG 3.74Å; A552-F600 HydrophobicContact CB-CZ 4.29Å
553	P	94.2	Very high	96.1	Very high	67 Å²	67	53.9 Å²	53.9	44%	0.435	26%	0.263	S	S	.	.	T	Hydrogen-bonded Turn	trans	-59.5	-24.9	-176.7	-26.6	34.4	0	0	0	114.9	Y551 K559 D584	Y551-P553 HydrophobicContact CE2-CG 4.31Å; P553-K559 WeakPolarHBondContact O-CE 3.3Å; P553-D584 WeakPolarHBondContact CD-OD1 3.15Å; P553-D584 WeakPolarHBondContact CD-OD2 3.37Å; P553-D584 WeakPolarHBondContact CG-OD2 3.43Å
554	W	89.3	Confident	96.2	Very high	178 Å²	178	48.2 Å²	48.2	67%	0.674	24%	0.242	S	C	*	.	T	Hydrogen-bonded Turn	trans	-90.8	-8.4	179.4	49.9	-101.1	0	0	0	113.9	A552 T586 F600	A552-W554 HydrophobicContact CB-CD2 4.15Å; A552-W554 HydrophobicContact CB-CH2 4.43Å; A552-W554 HydrophobicContact CB-CZ2 3.9Å; A552-W554 PolarHBondContact O-N 3.44Å; A552-W554 VanDerWaalsContact O-N 3.09Å; W554-T586 HydrophobicContact CZ2-CG2 4.39Å; W554-F600 HydrophobicContact CH2-CD2 4.25Å; W554-F600 HydrophobicContact CH2-CE2 4.48Å; W554-F600 HydrophobicContact CZ2-CD2 4.46Å; W554-F600 HydrophobicContact CZ2-CE2 4.35Å
555	C	93.1	Very high	96.3	Very high	13 Å²	13	45.3 Å²	45.3	9%	0.088	23%	0.229	C	C	.	.			trans	-75.6	126.1	-177.4	176	0	0	0	0	112.4	A552 C558 K559 F600	A552-C555 HydrophobicContact CB-CB 4.12Å; A552-C555 WeakPolarHBondContact O-CB 3.26Å; A552-C555 PolarHBondContact O-N 2.84Å; C555-C558 HydrophobicContact CB-CB 3.95Å; C555-C558 VanDerWaalsContact CB-SG 3.58Å; C555-C558 PolarHBondContact O-N 3.42Å; C555-K559 WeakPolarHBondContact O-CG 3.48Å; C555-K559 PolarHBondContact O-N 2.88Å; C555-F600 HydrophobicContact CB-CB 4.09Å; C555-F600 PolarHBondContact SG-O 2.78Å; C555-F600 VanDerWaalsContact SG-O 3.4Å
556	G	94.4	Very high	96.2	Very high	42 Å²	42	47.5 Å²	47.5	43%	0.433	24%	0.241	S	C	.	.	H	α-helix	trans	-62.6	-44.1	177.6	0	0	0	0	0	113.4	C558 K559 Q560	G556-C558 VanDerWaalsContact C-N 3.34Å; G556-C558 PolarHBondContact O-N 2.74Å; G556-K559 PolarHBondContact O-N 3Å; G556-Q560 PolarHBondContact O-N 2.91Å
557	H	93.7	Very high	96.2	Very high	113 Å²	113	49.9 Å²	49.9	52%	0.523	26%	0.258	S	S	.	.	H	α-helix	trans	-63.8	-36.9	178.3	-61.1	156.5	0	0	0	112.4	Q560 L561	H557-Q560 PolarHBondContact O-N 2.96Å; H557-L561 WeakPolarHBondContact O-CB 3.29Å; H557-L561 PolarHBondContact O-N 2.87Å
558	C	95.9	Very high	96.2	Very high	6 Å²	6	49.9 Å²	49.9	4%	0.041	26%	0.258	C	S	.	.	H	α-helix	trans	-63.7	-42.7	174.1	-64.5	0	0	0	0	111.9	Y551 C555 G556 Q560 L561 E562 P601	Y551-C558 VanDerWaalsContact CB-SG 3.52Å; C555-C558 HydrophobicContact CB-CB 3.95Å; C555-C558 VanDerWaalsContact CB-SG 3.58Å; C555-C558 PolarHBondContact O-N 3.42Å; G556-C558 VanDerWaalsContact C-N 3.34Å; G556-C558 PolarHBondContact O-N 2.74Å; C558-Q560 VanDerWaalsContact C-N 3.32Å; C558-Q560 PolarHBondContact O-N 3.04Å; C558-L561 PolarHBondContact O-N 2.85Å; C558-E562 PolarHBondContact O-N 2.86Å; C558-P601 VanDerWaalsContact SG-CD 3.5Å; C558-P601 VanDerWaalsContact SG-N 3.43Å
559	K	96.7	Very high	96.1	Very high	122 Å²	122	50 Å²	50	53%	0.53	26%	0.259	S	S	.	.	H	α-helix	trans	-63.9	-37.6	177.8	-69.5	174.5	-176.3	174.4	0	112.1	P553 C555 G556 P563	P553-K559 WeakPolarHBondContact O-CE 3.3Å; C555-K559 WeakPolarHBondContact O-CG 3.48Å; C555-K559 PolarHBondContact O-N 2.88Å; G556-K559 PolarHBondContact O-N 3Å; K559-P563 WeakPolarHBondContact O-CD 3.36Å
560	Q	96	Very high	96	Very high	146 Å²	146	56.4 Å²	56.4	68%	0.682	29%	0.287	S	S	*	.	H	α-helix	trans	-69.5	-35.7	175.2	-71.4	174.5	-1.5	0	0	112.4	G556 H557 C558 P563	G556-Q560 PolarHBondContact O-N 2.91Å; H557-Q560 PolarHBondContact O-N 2.96Å; C558-Q560 VanDerWaalsContact C-N 3.32Å; C558-Q560 PolarHBondContact O-N 3.04Å; Q560-P563 WeakPolarHBondContact O-CD 3.39Å
561	L	96.7	Very high	95.8	Very high	5 Å²	5	61.7 Å²	61.7	3%	0.026	31%	0.31	C	S	.	.	H	α-helix	trans	-73.1	-30.7	177.4	174.1	58.7	0	0	0	112.7	E549 H557 C558 V564 Y565 P601 I603 R622 L627	E549-L561 HydrophobicContact CG-CD2 4.3Å; E549-L561 WeakPolarHBondContact OE1-CD2 3.39Å; H557-L561 WeakPolarHBondContact O-CB 3.29Å; H557-L561 PolarHBondContact O-N 2.87Å; C558-L561 PolarHBondContact O-N 2.85Å; L561-V564 HydrophobicContact CD1-CB 4.17Å; L561-V564 HydrophobicContact CD1-CG1 4.37Å; L561-V564 WeakPolarHBondContact O-CA 3.39Å; L561-V564 WeakPolarHBondContact O-CB 3.36Å; L561-V564 PolarHBondContact O-N 3.14Å; L561-Y565 HydrophobicContact CD1-CD2 4.31Å; L561-Y565 HydrophobicContact CG-CD2 4.46Å; L561-Y565 PolarHBondContact O-N 2.75Å; L561-P601 HydrophobicContact CD2-CB 3.97Å; L561-P601 HydrophobicContact CD2-CG 3.73Å; L561-I603 HydrophobicContact CD2-CD1 3.8Å; L561-R622 HydrophobicContact CD1-CB 4.22Å; L561-L627 HydrophobicContact CD1-CD1 3.84Å
562	E	96.5	Very high	95.7	Very high	85 Å²	85	60.3 Å²	60.3	40%	0.397	30%	0.304	S	S	.	.	H	α-helix	trans	-52	-45	-173.2	177.3	170.2	-136.2	0	0	114.8	C558 V564 Y565 N566 K582	C558-E562 PolarHBondContact O-N 2.86Å; E562-V564 PolarHBondContact O-N 2.86Å; E562-Y565 PolarHBondContact O-N 2.89Å; E562-N566 WeakPolarHBondContact O-CB 3.47Å; E562-N566 PolarHBondContact O-N 2.83Å; E562-N566 PolarHBondContact O-ND2 2.62Å; E562-K582 IonicContact OE1-NZ 2.7Å; E562-K582 PolarHBondContact OE1-NZ 2.88Å
563	P	96.9	Very high	95.4	Very high	80 Å²	80	68.7 Å²	68.7	52%	0.519	34%	0.34	S	S	.	.	H	α-helix	trans	-63.2	-38.9	175.1	-22.7	34.1	0	0	0	113.7	K559 Q560 S567	K559-P563 WeakPolarHBondContact O-CD 3.36Å; Q560-P563 WeakPolarHBondContact O-CD 3.39Å; P563-S567 PolarHBondContact O-N 3.48Å; P563-S567 VanDerWaalsContact O-N 3.07Å; P563-S567 PolarHBondContact O-OG 3.35Å
564	V	97.6	Very high	95.1	Very high	40 Å²	40	68.5 Å²	68.5	24%	0.242	35%	0.351	C	S	.	.	H	α-helix	trans	-67.4	-47.1	178	177.8	0	0	0	0	109.7	L561 E562 N566 S567 L568 L624 L627	L561-V564 HydrophobicContact CD1-CB 4.17Å; L561-V564 HydrophobicContact CD1-CG1 4.37Å; L561-V564 WeakPolarHBondContact O-CA 3.39Å; L561-V564 WeakPolarHBondContact O-CB 3.36Å; L561-V564 PolarHBondContact O-N 3.14Å; E562-V564 PolarHBondContact O-N 2.86Å; V564-N566 VanDerWaalsContact C-N 3.32Å; V564-N566 PolarHBondContact O-N 2.9Å; V564-S567 CarbonylContact O-C 3.49Å; V564-S567 WeakPolarHBondContact O-CA 3.32Å; V564-S567 WeakPolarHBondContact O-CB 3.44Å; V564-S567 PolarHBondContact O-N 3.15Å; V564-L568 PolarHBondContact O-N 2.91Å; V564-L624 HydrophobicContact CG1-CB 4.19Å; V564-L627 HydrophobicContact CG1-CD1 4.29Å
565	Y	97.8	Very high	95.2	Very high	2 Å²	2	60.9 Å²	60.9	1%	0.008	32%	0.323	C	S	.	.	H	α-helix	trans	-63.3	-37.8	179.8	-150.6	-104.7	0	0	0	112.3	V527 L547 E549 L561 E562 S567 L568 A569 I580 A581 L627	V527-Y565 HydrophobicContact CG1-CD1 4.02Å; V527-Y565 HydrophobicContact CG1-CE1 3.97Å; V527-Y565 HydrophobicContact CG2-CD1 4.04Å; L547-Y565 HydrophobicContact CD2-CE2 3.73Å; L547-Y565 HydrophobicContact CG-CE2 4.46Å; L547-Y565 WeakPolarHBondContact CG-OH 3.06Å; L547-Y565 PolarHBondContact O-OH 3.3Å; E549-Y565 HydrophobicContact CB-CE1 3.96Å; E549-Y565 HydrophobicContact CB-CE2 4.04Å; E549-Y565 PolarHBondContact N-OH 2.98Å; L561-Y565 HydrophobicContact CD1-CD2 4.31Å; L561-Y565 HydrophobicContact CG-CD2 4.46Å; L561-Y565 PolarHBondContact O-N 2.75Å; E562-Y565 PolarHBondContact O-N 2.89Å; Y565-S567 VanDerWaalsContact C-N 3.34Å; Y565-S567 PolarHBondContact O-N 2.67Å; Y565-L568 HydrophobicContact CD2-CD2 4.33Å; Y565-L568 HydrophobicContact CE2-CD2 4.34Å; Y565-L568 WeakPolarHBondContact O-CB 3.22Å; Y565-L568 PolarHBondContact O-N 2.64Å; Y565-A569 WeakPolarHBondContact O-CB 3.46Å; Y565-A569 PolarHBondContact O-N 3.44Å; Y565-I580 HydrophobicContact CD1-CG2 3.92Å; Y565-I580 HydrophobicContact CE1-CG2 3.33Å; Y565-I580 HydrophobicContact CE2-CG2 4.46Å; Y565-A581 WeakPolarHBondContact CE1-O 3.34Å; Y565-A581 PolarHBondContact OH-O 2.85Å; Y565-A581 VanDerWaalsContact OH-O 3.1Å; Y565-L627 HydrophobicContact CD2-CD1 4.35Å
566	N	97.1	Very high	95	Very high	48 Å²	48	69.2 Å²	69.2	26%	0.257	36%	0.357	S	S	.	.	H	α-helix	trans	-64.7	-35.8	170.9	-79.9	-52.6	0	0	0	112.9	V527 E562 V564 K570	V527-N566 WeakPolarHBondContact CG2-OD1 3.46Å; E562-N566 WeakPolarHBondContact O-CB 3.47Å; E562-N566 PolarHBondContact O-N 2.83Å; E562-N566 PolarHBondContact O-ND2 2.62Å; V564-N566 VanDerWaalsContact C-N 3.32Å; V564-N566 PolarHBondContact O-N 2.9Å; N566-K570 WeakPolarHBondContact O-CG 3.42Å; N566-K570 PolarHBondContact O-N 3.32Å; N566-K570 VanDerWaalsContact O-N 3.12Å
567	S	97.5	Very high	95	Very high	51 Å²	51	68.3 Å²	68.3	36%	0.357	35%	0.348	S	S	.	.	H	α-helix	trans	-70.5	-41.1	176.5	-59.2	0	0	0	0	111.4	P563 V564 Y565 A569 K570 K571	P563-S567 PolarHBondContact O-N 3.48Å; P563-S567 VanDerWaalsContact O-N 3.07Å; P563-S567 PolarHBondContact O-OG 3.35Å; V564-S567 CarbonylContact O-C 3.49Å; V564-S567 WeakPolarHBondContact O-CA 3.32Å; V564-S567 WeakPolarHBondContact O-CB 3.44Å; V564-S567 PolarHBondContact O-N 3.15Å; Y565-S567 VanDerWaalsContact C-N 3.34Å; Y565-S567 PolarHBondContact O-N 2.67Å; S567-A569 PolarHBondContact O-N 2.82Å; S567-K570 WeakPolarHBondContact O-CB 3.42Å; S567-K570 PolarHBondContact O-N 3.15Å; S567-K570 VanDerWaalsContact O-N 3.14Å; S567-K571 PolarHBondContact O-N 3.27Å
568	L	97.1	Very high	95.1	Very high	0 Å²	0	63.9 Å²	63.9	0%	0	33%	0.328	C	S	.	.	H	α-helix	trans	-57.1	-48.1	172.2	-171.3	74.7	0	0	0	111.3	L547 V564 Y565 K570 K571 Y572 L624 L627 I631	L547-L568 HydrophobicContact CD2-CD2 3.62Å; V564-L568 PolarHBondContact O-N 2.91Å; Y565-L568 HydrophobicContact CD2-CD2 4.33Å; Y565-L568 HydrophobicContact CE2-CD2 4.34Å; Y565-L568 WeakPolarHBondContact O-CB 3.22Å; Y565-L568 PolarHBondContact O-N 2.64Å; L568-K570 VanDerWaalsContact C-N 3.28Å; L568-K570 PolarHBondContact O-N 2.98Å; L568-K571 WeakPolarHBondContact O-CB 3.3Å; L568-K571 PolarHBondContact O-N 3.07Å; L568-K571 VanDerWaalsContact O-N 3.16Å; L568-Y572 HydrophobicContact CD1-CD2 4.21Å; L568-Y572 HydrophobicContact CD1-CE2 3.78Å; L568-Y572 HydrophobicContact CG-CD2 4.33Å; L568-Y572 HydrophobicContact CG-CE2 4.37Å; L568-Y572 WeakPolarHBondContact O-CD2 3.41Å; L568-Y572 PolarHBondContact O-N 2.81Å; L568-Y572 VanDerWaalsContact O-N 3.13Å; L568-L624 VanDerWaalsContact CA-CD1 3.48Å; L568-L624 HydrophobicContact CB-CD1 3.79Å; L568-L624 HydrophobicContact CD1-CD1 3.78Å; L568-L624 HydrophobicContact CG-CD1 4.44Å; L568-L627 HydrophobicContact CD1-CB 3.97Å; L568-L627 HydrophobicContact CD2-CB 3.77Å; L568-L627 HydrophobicContact CD2-CD1 4.19Å; L568-I631 HydrophobicContact CD1-CD1 4.01Å; L568-I631 HydrophobicContact CD2-CD1 3.84Å; L568-I631 HydrophobicContact CG-CD1 3.96Å
569	A	97	Very high	95.1	Very high	3 Å²	3	64.9 Å²	64.9	3%	0.025	33%	0.334	C	S	.	.	H	α-helix	trans	-64	-31.1	177.4	0	0	0	0	0	113.4	P526 V527 Y565 S567 K573 I580	P526-A569 HydrophobicContact CB-CB 3.88Å; V527-A569 HydrophobicContact CG2-CB 3.55Å; Y565-A569 WeakPolarHBondContact O-CB 3.46Å; Y565-A569 PolarHBondContact O-N 3.44Å; S567-A569 PolarHBondContact O-N 2.82Å; A569-K573 PolarHBondContact O-N 3.37Å; A569-I580 HydrophobicContact CB-CB 3.91Å; A569-I580 HydrophobicContact CB-CG1 4.21Å; A569-I580 HydrophobicContact CB-CG2 3.92Å
570	K	95.6	Very high	95.2	Very high	139 Å²	139	59.4 Å²	59.4	60%	0.604	31%	0.311	S	S	*	.	H	α-helix	trans	-69.8	-43.5	171.9	-72.7	169.4	-173.2	172.4	0	111.6	N566 S567 L568 Y572 K573	N566-K570 WeakPolarHBondContact O-CG 3.42Å; N566-K570 PolarHBondContact O-N 3.32Å; N566-K570 VanDerWaalsContact O-N 3.12Å; S567-K570 WeakPolarHBondContact O-CB 3.42Å; S567-K570 PolarHBondContact O-N 3.15Å; S567-K570 VanDerWaalsContact O-N 3.14Å; L568-K570 VanDerWaalsContact C-N 3.28Å; L568-K570 PolarHBondContact O-N 2.98Å; K570-Y572 VanDerWaalsContact C-N 3.31Å; K570-Y572 PolarHBondContact O-N 2.97Å; K570-K573 VanDerWaalsContact O-CB 3.29Å; K570-K573 WeakPolarHBondContact O-CB 3.22Å; K570-K573 PolarHBondContact O-N 2.95Å
571	K	95.4	Very high	95.3	Very high	111 Å²	111	52.5 Å²	52.5	48%	0.483	28%	0.278	S	S	.	.	H	α-helix	trans	-53.7	-48.2	176.7	-178	-176.8	172.4	-170.5	0	110.9	S567 L568 S628 E632	S567-K571 PolarHBondContact O-N 3.27Å; L568-K571 WeakPolarHBondContact O-CB 3.3Å; L568-K571 PolarHBondContact O-N 3.07Å; L568-K571 VanDerWaalsContact O-N 3.16Å; K571-S628 PolarHBondContact NZ-OG 3.35Å; K571-E632 IonicContact NZ-OE1 2.71Å; K571-E632 PolarHBondContact NZ-OE1 3.45Å
572	Y	94.5	Very high	95.4	Very high	16 Å²	16	53.8 Å²	53.8	6%	0.063	28%	0.284	C	S	.	.	T	Hydrogen-bonded Turn	trans	-92.4	12.2	-177.5	-64.2	-75.3	0	0	0	115.3	L568 K570 G574 Q575 L578 S628 I631 E632 L638	L568-Y572 HydrophobicContact CD1-CD2 4.21Å; L568-Y572 HydrophobicContact CD1-CE2 3.78Å; L568-Y572 HydrophobicContact CG-CD2 4.33Å; L568-Y572 HydrophobicContact CG-CE2 4.37Å; L568-Y572 WeakPolarHBondContact O-CD2 3.41Å; L568-Y572 PolarHBondContact O-N 2.81Å; L568-Y572 VanDerWaalsContact O-N 3.13Å; K570-Y572 VanDerWaalsContact C-N 3.31Å; K570-Y572 PolarHBondContact O-N 2.97Å; Y572-G574 PolarHBondContact O-N 2.98Å; Y572-Q575 HydrophobicContact CD1-CG 3.94Å; Y572-Q575 WeakPolarHBondContact O-CB 3.38Å; Y572-Q575 PolarHBondContact O-N 3.49Å; Y572-L578 HydrophobicContact CD1-CD2 4.04Å; Y572-L578 HydrophobicContact CD2-CD2 4.39Å; Y572-L578 HydrophobicContact CG-CD2 3.82Å; Y572-S628 WeakPolarHBondContact OH-CA 3.2Å; Y572-S628 VanDerWaalsContact OH-CB 3.29Å; Y572-S628 WeakPolarHBondContact OH-CB 3.31Å; Y572-S628 PolarHBondContact OH-O 2.9Å; Y572-I631 HydrophobicContact CD2-CD1 3.78Å; Y572-I631 HydrophobicContact CE1-CG2 4.19Å; Y572-I631 HydrophobicContact CE2-CB 4.45Å; Y572-I631 HydrophobicContact CE2-CD1 3.6Å; Y572-I631 HydrophobicContact CE2-CG2 4.3Å; Y572-E632 PolarHBondContact OH-OE1 3.18Å; Y572-L638 HydrophobicContact CD1-CD2 4.04Å; Y572-L638 HydrophobicContact CE1-CD2 3.92Å
573	K	89.8	Confident	95.5	Very high	175 Å²	175	49.7 Å²	49.7	76%	0.761	27%	0.265	S	S	*	.	T	Hydrogen-bonded Turn	trans	-55.8	-27.3	-177.3	-172.3	179.5	178.5	-174.7	0	114	A569 K570	A569-K573 PolarHBondContact O-N 3.37Å; K570-K573 VanDerWaalsContact O-CB 3.29Å; K570-K573 WeakPolarHBondContact O-CB 3.22Å; K570-K573 PolarHBondContact O-N 2.95Å
574	G	88.2	Confident	95.5	Very high	63 Å²	63	46.4 Å²	46.4	65%	0.649	24%	0.243	S	C	*	.	T	Hydrogen-bonded Turn	trans	-78.5	-18.7	177.1	0	0	0	0	0	115	Y572 K576	Y572-G574 PolarHBondContact O-N 2.98Å; G574-K576 PolarHBondContact O-N 3.41Å; G574-K576 VanDerWaalsContact O-N 3.07Å
575	Q	91.6	Very high	95.4	Very high	18 Å²	18	45.7 Å²	45.7	8%	0.084	24%	0.241	C	C	.	.			trans	-80.6	89.8	-176.7	-62	-63.7	-15.7	0	0	110.6	Y572 G577 L578 L638 S639	Y572-Q575 HydrophobicContact CD1-CG 3.94Å; Y572-Q575 WeakPolarHBondContact O-CB 3.38Å; Y572-Q575 PolarHBondContact O-N 3.49Å; Q575-G577 PolarHBondContact O-N 3Å; Q575-L578 HydrophobicContact CB-CB 3.98Å; Q575-L578 PolarHBondContact O-N 3.17Å; Q575-L638 HydrophobicContact CG-CD2 3.93Å; Q575-S639 PolarHBondContact NE2-O 2.7Å; Q575-S639 PolarHBondContact OE1-OG 2.92Å
576	K	89	Confident	95.2	Very high	188 Å²	188	48.4 Å²	48.4	82%	0.817	26%	0.258	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.7	-21.8	-177.8	-64.8	-177.3	-177.8	176.5	0	114.1	K544 G574	K544-K576 PolarHBondContact NZ-O 2.75Å; G574-K576 PolarHBondContact O-N 3.41Å; G574-K576 VanDerWaalsContact O-N 3.07Å
577	G	93.7	Very high	94.9	Very high	24 Å²	24	47.2 Å²	47.2	25%	0.247	25%	0.254	C	S	.	.	T	Hydrogen-bonded Turn	trans	-81.5	-14	177.7	0	0	0	0	0	114.6	K544 D545 Q575	K544-G577 CarbonylContact C-O 3.54Å; K544-G577 WeakPolarHBondContact CA-O 3.49Å; D545-G577 PolarHBondContact N-O 3.26Å; Q575-G577 PolarHBondContact O-N 3Å
578	L	96.4	Very high	94.8	Very high	20 Å²	20	45 Å²	45	11%	0.105	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.9	135.6	-174.3	177.9	60.6	0	0	0	110.8	D545 Y572 Q575 I580 F605 I631	D545-L578 HydrophobicContact CB-CD1 3.84Å; D545-L578 CarbonylContact O-C 3.6Å; D545-L578 WeakPolarHBondContact O-CA 3.47Å; Y572-L578 HydrophobicContact CD1-CD2 4.04Å; Y572-L578 HydrophobicContact CD2-CD2 4.39Å; Y572-L578 HydrophobicContact CG-CD2 3.82Å; Q575-L578 HydrophobicContact CB-CB 3.98Å; Q575-L578 PolarHBondContact O-N 3.17Å; L578-I580 HydrophobicContact CD1-CD1 4.17Å; L578-I580 HydrophobicContact CD2-CD1 4.11Å; L578-I580 HydrophobicContact CG-CD1 4.03Å; L578-F605 HydrophobicContact CD1-CE2 3.91Å; L578-F605 HydrophobicContact CD1-CZ 4.4Å; L578-I631 HydrophobicContact CD2-CD1 4.36Å; L578-I631 HydrophobicContact CD2-CG2 3.57Å
579	V	96.9	Very high	94.5	Very high	26 Å²	26	48.5 Å²	48.5	16%	0.158	26%	0.257	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.5	123.8	173.4	-178	0	0	0	0	108.5	K528 I538 K544 D545 V546 L547 A581	K528-V579 HydrophobicContact CB-CG1 4.1Å; K528-V579 HydrophobicContact CG-CG1 3.61Å; I538-V579 HydrophobicContact CG2-CG1 4.23Å; K544-V579 HydrophobicContact CB-CG2 4.22Å; K544-V579 HydrophobicContact CD-CG2 4.35Å; K544-V579 HydrophobicContact CG-CG2 4.22Å; D545-V579 PolarHBondContact O-N 3.16Å; V546-V579 CarbonylContact C-O 3.59Å; V546-V579 VanDerWaalsContact CA-O 3.29Å; V546-V579 WeakPolarHBondContact CA-O 3.36Å; V546-V579 HydrophobicContact CG1-CB 4.27Å; V546-V579 HydrophobicContact CG1-CG1 4.5Å; V546-V579 HydrophobicContact CG2-CB 4.16Å; L547-V579 PolarHBondContact N-O 3.33Å; V579-A581 HydrophobicContact CG1-CB 4.36Å
580	I	98.1	Very high	94.3	Very high	8 Å²	8	50 Å²	50	4%	0.041	27%	0.266	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.4	122.9	167.9	-52.3	-56.6	0	0	0	107.2	V527 K528 L547 Y565 A569 L578 I631	V527-I580 CarbonylContact C-O 3.52Å; V527-I580 WeakPolarHBondContact CA-O 3.24Å; V527-I580 HydrophobicContact CG2-CG2 4.45Å; K528-I580 PolarHBondContact N-O 3.29Å; L547-I580 HydrophobicContact CB-CD1 3.69Å; L547-I580 HydrophobicContact CD2-CD1 4.13Å; Y565-I580 HydrophobicContact CD1-CG2 3.92Å; Y565-I580 HydrophobicContact CE1-CG2 3.33Å; Y565-I580 HydrophobicContact CE2-CG2 4.46Å; A569-I580 HydrophobicContact CB-CB 3.91Å; A569-I580 HydrophobicContact CB-CG1 4.21Å; A569-I580 HydrophobicContact CB-CG2 3.92Å; L578-I580 HydrophobicContact CD1-CD1 4.17Å; L578-I580 HydrophobicContact CD2-CD1 4.11Å; L578-I580 HydrophobicContact CG-CD1 4.03Å; I580-I631 HydrophobicContact CD1-CD1 3.73Å
581	A	98.3	Very high	93.9	Very high	0 Å²	0	45.5 Å²	45.5	0%	0	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.9	154.3	-169.4	0	0	0	0	0	112	K528 V530 V546 L547 I548 E549 Y565 V579	K528-A581 HydrophobicContact CB-CB 4.21Å; K528-A581 CarbonylContact O-C 3.52Å; K528-A581 WeakPolarHBondContact O-CA 3.49Å; V530-A581 HydrophobicContact CG2-CB 3.8Å; V546-A581 HydrophobicContact CG1-CB 4.23Å; L547-A581 PolarHBondContact O-N 2.87Å; I548-A581 WeakPolarHBondContact CA-O 3.48Å; I548-A581 HydrophobicContact CB-CB 4.38Å; I548-A581 HydrophobicContact CG1-CB 4.39Å; E549-A581 PolarHBondContact N-O 2.87Å; Y565-A581 WeakPolarHBondContact CE1-O 3.34Å; Y565-A581 PolarHBondContact OH-O 2.85Å; Y565-A581 VanDerWaalsContact OH-O 3.1Å; V579-A581 HydrophobicContact CG1-CB 4.36Å
582	K	98.4	Very high	93.6	Very high	32 Å²	32	41.1 Å²	41.1	14%	0.139	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.9	145.8	172.4	71	178.2	-178.5	170.2	0	111.6	V527 K528 V530 E549 Y551 E562	V527-K582 HydrophobicContact CG1-CB 3.91Å; V527-K582 HydrophobicContact CG1-CD 3.99Å; V527-K582 HydrophobicContact CG1-CG 3.69Å; K528-K582 PolarHBondContact O-N 2.9Å; V530-K582 PolarHBondContact N-O 2.8Å; E549-K582 HydrophobicContact CB-CB 4.32Å; E549-K582 CarbonylContact O-C 3.49Å; E549-K582 VanDerWaalsContact O-CA 3.27Å; E549-K582 WeakPolarHBondContact O-CA 3.24Å; Y551-K582 HydrophobicContact CD1-CB 4.11Å; Y551-K582 HydrophobicContact CD1-CD 4.49Å; Y551-K582 HydrophobicContact CD1-CG 4.48Å; Y551-K582 HydrophobicContact CE1-CB 4.02Å; Y551-K582 HydrophobicContact CE1-CD 3.97Å; Y551-K582 HydrophobicContact CE1-CG 3.92Å; E562-K582 IonicContact OE1-NZ 2.7Å; E562-K582 PolarHBondContact OE1-NZ 2.88Å
583	M	98.3	Very high	93.2	Very high	0 Å²	0	46.3 Å²	46.3	0%	0	26%	0.263	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136	127.3	-179.1	-179.9	171.3	176.9	0	0	110.3	V530 F535 I548 E549 F550 Y551 A585 N588 D589 V590	V530-M583 HydrophobicContact CB-CB 4.2Å; V530-M583 HydrophobicContact CG1-SD 4.1Å; V530-M583 WeakPolarHBondContact O-CA 2.81Å; V530-M583 WeakPolarHBondContact O-CG 3.36Å; F535-M583 HydrophobicContact CD2-CE 4.37Å; F535-M583 HydrophobicContact CD2-SD 3.64Å; F535-M583 HydrophobicContact CE2-SD 4.05Å; I548-M583 HydrophobicContact CD1-CB 4.15Å; E549-M583 PolarHBondContact O-N 3.33Å; F550-M583 WeakPolarHBondContact CA-O 3.26Å; F550-M583 HydrophobicContact CD1-CB 4.07Å; F550-M583 HydrophobicContact CD1-CG 4.26Å; F550-M583 HydrophobicContact CD1-SD 4.01Å; F550-M583 HydrophobicContact CE1-CB 4.37Å; F550-M583 HydrophobicContact CE1-CG 4.47Å; F550-M583 HydrophobicContact CE1-SD 3.66Å; Y551-M583 VanDerWaalsContact CD1-C 3.42Å; Y551-M583 WeakPolarHBondContact CD1-O 3.46Å; Y551-M583 PolarHBondContact N-O 3.41Å; M583-A585 PolarHBondContact O-N 3.17Å; M583-A585 VanDerWaalsContact O-N 3.13Å; M583-N588 HydrophobicContact CE-CB 3.32Å; M583-N588 HydrophobicContact CG-CB 4.4Å; M583-D589 WeakPolarHBondContact CE-O 3.26Å; M583-V590 HydrophobicContact CE-CG2 3.87Å; M583-V590 HydrophobicContact SD-CG2 4.21Å
584	D	97.6	Very high	93.3	Very high	11 Å²	11	43.5 Å²	43.5	6%	0.059	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-74.3	100.2	168.6	179.2	-8.7	0	0	0	108	Y551 P553 T586 A587 N588	Y551-D584 HydrophobicContact CE1-CB 4.13Å; Y551-D584 VanDerWaalsContact CE1-N 3.31Å; Y551-D584 HydrophobicContact CE2-CB 4.31Å; Y551-D584 WeakPolarHBondContact O-CA 3.25Å; P553-D584 WeakPolarHBondContact CD-OD1 3.15Å; P553-D584 WeakPolarHBondContact CD-OD2 3.37Å; P553-D584 WeakPolarHBondContact CG-OD2 3.43Å; D584-T586 PolarHBondContact O-N 2.69Å; D584-T586 WeakPolarHBondContact OD1-CA 3.32Å; D584-T586 WeakPolarHBondContact OD1-CB 3.46Å; D584-T586 PolarHBondContact OD1-N 2.9Å; D584-T586 PolarHBondContact OD1-OG1 3.39Å; D584-A587 HydrophobicContact CB-CB 4.32Å; D584-A587 PolarHBondContact O-N 3.01Å; D584-A587 PolarHBondContact OD1-N 3.18Å; D584-A587 WeakPolarHBondContact OD2-CB 3.4Å; D584-N588 WeakPolarHBondContact O-CB 3.39Å; D584-N588 PolarHBondContact O-N 3.43Å; D584-N588 PolarHBondContact O-ND2 2.71Å
585	A	96	Very high	93.7	Very high	24 Å²	24	40.9 Å²	40.9	20%	0.198	22%	0.218	C	C	.	.	T	Hydrogen-bonded Turn	trans	-80.1	0.4	-178.1	0	0	0	0	0	112.9	F550 Y551 M583 V597 F600	F550-A585 HydrophobicContact CB-CB 4.04Å; F550-A585 HydrophobicContact CD1-CB 4.14Å; Y551-A585 PolarHBondContact O-N 3.11Å; M583-A585 PolarHBondContact O-N 3.17Å; M583-A585 VanDerWaalsContact O-N 3.13Å; A585-V597 HydrophobicContact CB-CG1 4.21Å; A585-F600 HydrophobicContact CB-CE1 3.76Å; A585-F600 HydrophobicContact CB-CZ 4.37Å
586	T	91.9	Very high	93.7	Very high	60 Å²	60	46.3 Å²	46.3	37%	0.368	24%	0.242	S	C	.	.	T	Hydrogen-bonded Turn	trans	-89.4	-21.6	168.6	70.4	0	0	0	0	112.4	A552 W554 D584 F600	A552-T586 HydrophobicContact CB-CG2 3.47Å; A552-T586 VanDerWaalsContact CB-CG2 3.47Å; W554-T586 HydrophobicContact CZ2-CG2 4.39Å; D584-T586 PolarHBondContact O-N 2.69Å; D584-T586 WeakPolarHBondContact OD1-CA 3.32Å; D584-T586 WeakPolarHBondContact OD1-CB 3.46Å; D584-T586 PolarHBondContact OD1-N 2.9Å; D584-T586 PolarHBondContact OD1-OG1 3.39Å; T586-F600 HydrophobicContact CG2-CE2 4.06Å; T586-F600 HydrophobicContact CG2-CZ 3.89Å
587	A	92.2	Very high	93.9	Very high	22 Å²	22	39.3 Å²	39.3	18%	0.182	22%	0.215	C	C	.	.	T	Hydrogen-bonded Turn	trans	-110.3	-3.2	-178.7	0	0	0	0	0	114	Q517 D584	Q517-A587 VanDerWaalsContact CD-CB 3.45Å; Q517-A587 HydrophobicContact CG-CB 3.66Å; D584-A587 HydrophobicContact CB-CB 4.32Å; D584-A587 PolarHBondContact O-N 3.01Å; D584-A587 PolarHBondContact OD1-N 3.18Å; D584-A587 WeakPolarHBondContact OD2-CB 3.4Å
588	N	93.8	Very high	93.8	Very high	4 Å²	4	45.6 Å²	45.6	2%	0.021	24%	0.238	C	C	.	.	S	Bend	trans	-142.8	137.6	-177.5	-57.1	-92.6	0	0	0	111.1	K515 S516 Q517 V531 G532 M583 D584	K515-N588 CarbonylContact O-C 3.57Å; K515-N588 VanDerWaalsContact O-CA 3.3Å; K515-N588 WeakPolarHBondContact O-CA 3.16Å; S516-N588 WeakPolarHBondContact CA-OD1 3.49Å; Q517-N588 PolarHBondContact N-OD1 2.84Å; Q517-N588 PolarHBondContact OE1-ND2 2.89Å; V531-N588 VanDerWaalsContact CA-OD1 3.28Å; V531-N588 WeakPolarHBondContact CA-OD1 3.33Å; V531-N588 VanDerWaalsContact CB-OD1 3.23Å; V531-N588 WeakPolarHBondContact CB-OD1 3.31Å; G532-N588 PolarHBondContact N-OD1 2.94Å; M583-N588 HydrophobicContact CE-CB 3.32Å; M583-N588 HydrophobicContact CG-CB 4.4Å; D584-N588 WeakPolarHBondContact O-CB 3.39Å; D584-N588 PolarHBondContact O-N 3.43Å; D584-N588 PolarHBondContact O-ND2 2.71Å
589	D	91.7	Very high	93.7	Very high	75 Å²	75	46.2 Å²	46.2	40%	0.401	25%	0.249	S	C	.	.			trans	-74.8	139	168.9	-68.6	-23.8	0	0	0	109.9	I514 K515 M583 P591	I514-D589 HydrophobicContact CG2-CB 4.22Å; K515-D589 HydrophobicContact CB-CB 4.18Å; K515-D589 VanDerWaalsContact CB-CG 3.41Å; K515-D589 WeakPolarHBondContact CB-OD2 3.5Å; K515-D589 PolarHBondContact N-OD2 3.13Å; K515-D589 PolarHBondContact O-N 2.97Å; M583-D589 WeakPolarHBondContact CE-O 3.26Å; D589-P591 VanDerWaalsContact O-CD 3.26Å; D589-P591 WeakPolarHBondContact O-CD 3.41Å
590	V	92.5	Very high	93.7	Very high	33 Å²	33	47.6 Å²	47.6	20%	0.2	25%	0.253	C	S	.	.			trans	-87.8	108.2	172.7	-173.1	0	0	0	0	108	F535 F550 M583 S592 Y595 V597	F535-V590 HydrophobicContact CD2-CG1 4.38Å; F535-V590 HydrophobicContact CE1-CG1 4.42Å; F535-V590 HydrophobicContact CE2-CG1 3.75Å; F535-V590 HydrophobicContact CZ-CG1 3.77Å; F550-V590 HydrophobicContact CD1-CG2 3.8Å; F550-V590 HydrophobicContact CE1-CB 4.31Å; F550-V590 HydrophobicContact CE1-CG1 3.81Å; F550-V590 HydrophobicContact CE1-CG2 3.46Å; F550-V590 VanDerWaalsContact CE1-CG2 3.46Å; F550-V590 HydrophobicContact CZ-CG1 4Å; F550-V590 HydrophobicContact CZ-CG2 4.37Å; M583-V590 HydrophobicContact CE-CG2 3.87Å; M583-V590 HydrophobicContact SD-CG2 4.21Å; V590-S592 PolarHBondContact O-N 3.14Å; V590-Y595 HydrophobicContact CG1-CG 4.41Å; V590-V597 HydrophobicContact CG2-CG2 4.35Å
591	P	87.6	Confident	93.6	Very high	46 Å²	46	47.2 Å²	47.2	30%	0.299	25%	0.251	S	S	.	.	S	Bend	trans	-70.8	6.3	-169.7	-20.3	35.1	0	0	0	115.4	I514 F535 D589	I514-P591 HydrophobicContact CD1-CB 3.85Å; I514-P591 HydrophobicContact CD1-CG 3.77Å; I514-P591 HydrophobicContact CG1-CB 4.31Å; I514-P591 HydrophobicContact CG1-CG 4.17Å; I514-P591 HydrophobicContact CG2-CG 3.78Å; F535-P591 HydrophobicContact CB-CG 4Å; F535-P591 HydrophobicContact CD1-CG 4.45Å; F535-P591 HydrophobicContact CG-CG 4.35Å; D589-P591 VanDerWaalsContact O-CD 3.26Å; D589-P591 WeakPolarHBondContact O-CD 3.41Å
592	S	88.1	Confident	93.6	Very high	18 Å²	18	47.8 Å²	47.8	13%	0.126	25%	0.254	C	S	.	.			trans	-131.8	115.7	-174.7	-177.3	0	0	0	0	110.7	V590 R594 Y595	V590-S592 PolarHBondContact O-N 3.14Å; S592-R594 PolarHBondContact O-N 2.82Å; S592-Y595 PolarHBondContact O-N 3.06Å; S592-Y595 VanDerWaalsContact O-N 3.17Å
593	D	87.4	Confident	93.6	Very high	126 Å²	126	46.4 Å²	46.4	67%	0.674	25%	0.249	S	C	*	.	T	Hydrogen-bonded Turn	trans	-61.5	-3.7	178.2	-56.5	-27.9	0	0	0	113.8
594	R	92.3	Very high	93.6	Very high	115 Å²	115	47.2 Å²	47.2	43%	0.434	25%	0.252	S	S	.	.	T	Hydrogen-bonded Turn	trans	-82.6	-16.5	178.4	-51.4	-155	-171.7	-137.4	-2.8	113.5	S592 K612 P614	S592-R594 PolarHBondContact O-N 2.82Å; R594-K612 WeakPolarHBondContact CD-O 3.3Å; R594-K612 VanDerWaalsContact CZ-O 3.26Å; R594-K612 PolarHBondContact NE-O 3.21Å; R594-K612 VanDerWaalsContact NH1-C 3.33Å; R594-K612 VanDerWaalsContact NH1-CB 3.33Å; R594-K612 PolarHBondContact NH1-O 2.94Å; R594-P614 HydrophobicContact CB-CG 3.87Å
595	Y	95.3	Very high	93.6	Very high	8 Å²	8	46.7 Å²	46.7	3%	0.031	25%	0.249	C	C	.	.	S	Bend	trans	-105	87.3	177.4	-62.4	-94.9	0	0	0	108.7	F535 V539 M540 I548 F550 V590 S592 V597 Y604 A606 P614	F535-Y595 HydrophobicContact CE1-CD2 4.13Å; F535-Y595 AromaticContact CE1-CE2 3.87Å; F535-Y595 HydrophobicContact CE1-CE2 3.87Å; F535-Y595 HydrophobicContact CZ-CD1 4.42Å; F535-Y595 AromaticContact CZ-CD2 3.67Å; F535-Y595 HydrophobicContact CZ-CD2 3.67Å; F535-Y595 HydrophobicContact CZ-CE1 4.38Å; F535-Y595 AromaticContact CZ-CE2 3.63Å; F535-Y595 HydrophobicContact CZ-CE2 3.63Å; F535-Y595 HydrophobicContact CZ-CG 4.07Å; F535-Y595 AromaticContact CZ-CZ 4Å; V539-Y595 HydrophobicContact CG1-CE1 4.2Å; V539-Y595 WeakPolarHBondContact CG1-OH 3.32Å; M540-Y595 HydrophobicContact SD-CE2 3.95Å; I548-Y595 HydrophobicContact CG2-CD1 4.37Å; I548-Y595 HydrophobicContact CG2-CE1 4.02Å; F550-Y595 AromaticContact CE2-CD1 3.69Å; F550-Y595 HydrophobicContact CE2-CD1 3.69Å; F550-Y595 HydrophobicContact CE2-CG 4.18Å; F550-Y595 AromaticContact CZ-CD1 3.75Å; F550-Y595 HydrophobicContact CZ-CD1 3.75Å; F550-Y595 AromaticContact CZ-CG 3.93Å; F550-Y595 HydrophobicContact CZ-CG 3.93Å; V590-Y595 HydrophobicContact CG1-CG 4.41Å; S592-Y595 PolarHBondContact O-N 3.06Å; S592-Y595 VanDerWaalsContact O-N 3.17Å; Y595-V597 PolarHBondContact O-N 2.82Å; Y595-Y604 HydrophobicContact CD1-CD1 4.19Å; Y595-Y604 AromaticContact CD1-CD2 3.82Å; Y595-Y604 HydrophobicContact CD1-CD2 3.82Å; Y595-Y604 HydrophobicContact CD1-CE2 4.46Å; Y595-Y604 AromaticContact CD1-CG 3.64Å; Y595-Y604 HydrophobicContact CD1-CG 3.64Å; Y595-Y604 HydrophobicContact CE1-CG 4.16Å; Y595-A606 WeakPolarHBondContact OH-CB 3.33Å; Y595-P614 HydrophobicContact CD1-CB 4.23Å; Y595-P614 HydrophobicContact CD1-CG 4.38Å; Y595-P614 HydrophobicContact CD2-CG 4.48Å; Y595-P614 HydrophobicContact CE1-CB 3.61Å; Y595-P614 HydrophobicContact CE1-CG 4.08Å; Y595-P614 HydrophobicContact CE2-CB 4.43Å; Y595-P614 HydrophobicContact CE2-CG 4.17Å
596	K	92.8	Very high	93.7	Very high	132 Å²	132	45.5 Å²	45.5	57%	0.574	24%	0.239	S	C	*	.			trans	-81.3	103.4	-179.1	-65	-175	178.7	-175.8	0	109.9	E598 Y604	K596-E598 PolarHBondContact O-N 3.17Å; K596-Y604 PolarHBondContact N-OH 3.21Å; K596-Y604 VanDerWaalsContact N-OH 3.15Å; K596-Y604 PolarHBondContact O-OH 2.67Å
597	V	93.2	Very high	93.9	Very high	42 Å²	42	43.4 Å²	43.4	26%	0.255	23%	0.227	S	C	.	.			trans	-94	87.9	178.7	-172.9	0	0	0	0	109	F550 A585 V590 Y595 F600	F550-V597 HydrophobicContact CB-CG1 3.87Å; F550-V597 HydrophobicContact CB-CG2 3.75Å; F550-V597 HydrophobicContact CD1-CG2 3.84Å; F550-V597 HydrophobicContact CD2-CG2 3.74Å; F550-V597 HydrophobicContact CE1-CG2 4.35Å; F550-V597 HydrophobicContact CE2-CG2 4.28Å; F550-V597 HydrophobicContact CG-CG2 3.49Å; F550-V597 VanDerWaalsContact CG-CG2 3.49Å; A585-V597 HydrophobicContact CB-CG1 4.21Å; V590-V597 HydrophobicContact CG2-CG2 4.35Å; Y595-V597 PolarHBondContact O-N 2.82Å; V597-F600 HydrophobicContact CG1-CD1 4.07Å; V597-F600 HydrophobicContact CG1-CE1 3.52Å; V597-F600 HydrophobicContact CG1-CZ 4.22Å
598	E	91.3	Very high	94.1	Very high	156 Å²	156	43.2 Å²	43.2	73%	0.729	22%	0.224	S	C	*	.			trans	-91.4	-11.9	-179.3	-66.6	170.1	173.8	0	0	112.6	K596	K596-E598 PolarHBondContact O-N 3.17Å
599	G	93.7	Very high	94.1	Very high	33 Å²	33	46.1 Å²	46.1	34%	0.34	26%	0.255	S	S	.	.	S	Bend	trans	-168	176.7	179.2	0	0	0	0	0	112.3	T602	G599-T602 PolarHBondContact O-OG1 3.26Å
600	F	96.4	Very high	94.3	Very high	54 Å²	54	45.5 Å²	45.5	24%	0.237	25%	0.251	C	S	.	.	S	Bend	trans	-125.5	138.7	-174.6	-57.2	-66.7	0	0	0	112.2	A552 W554 C555 A585 T586 V597	A552-F600 HydrophobicContact CB-CB 4.28Å; A552-F600 HydrophobicContact CB-CD1 4.18Å; A552-F600 HydrophobicContact CB-CD2 3.58Å; A552-F600 HydrophobicContact CB-CE1 4.43Å; A552-F600 HydrophobicContact CB-CE2 3.87Å; A552-F600 HydrophobicContact CB-CG 3.74Å; A552-F600 HydrophobicContact CB-CZ 4.29Å; W554-F600 HydrophobicContact CH2-CD2 4.25Å; W554-F600 HydrophobicContact CH2-CE2 4.48Å; W554-F600 HydrophobicContact CZ2-CD2 4.46Å; W554-F600 HydrophobicContact CZ2-CE2 4.35Å; C555-F600 HydrophobicContact CB-CB 4.09Å; C555-F600 PolarHBondContact SG-O 2.78Å; C555-F600 VanDerWaalsContact SG-O 3.4Å; A585-F600 HydrophobicContact CB-CE1 3.76Å; A585-F600 HydrophobicContact CB-CZ 4.37Å; T586-F600 HydrophobicContact CG2-CE2 4.06Å; T586-F600 HydrophobicContact CG2-CZ 3.89Å; V597-F600 HydrophobicContact CG1-CD1 4.07Å; V597-F600 HydrophobicContact CG1-CE1 3.52Å; V597-F600 HydrophobicContact CG1-CZ 4.22Å
601	P	96.9	Very high	94.4	Very high	1 Å²	1	44.6 Å²	44.6	1%	0.006	25%	0.245	C	C	.	.	S	Bend	cis	-69.3	148.8	-15.5	27	-33.2	0	0	0	111.9	E549 F550 C558 L561 R622	E549-P601 HydrophobicContact CG-CB 3.99Å; F550-P601 VanDerWaalsContact O-CA 3.31Å; F550-P601 WeakPolarHBondContact O-CA 3.39Å; C558-P601 VanDerWaalsContact SG-CD 3.5Å; C558-P601 VanDerWaalsContact SG-N 3.43Å; L561-P601 HydrophobicContact CD2-CB 3.97Å; L561-P601 HydrophobicContact CD2-CG 3.73Å; P601-R622 PolarHBondContact O-NH2 3.26Å
602	T	97.9	Very high	94.6	Very high	11 Å²	11	49 Å²	49	7%	0.067	26%	0.259	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.8	132.2	164.5	-70	0	0	0	0	108.3	F550 G599 Y604	F550-T602 PolarHBondContact N-O 3.22Å; F550-T602 PolarHBondContact O-N 3.27Å; G599-T602 PolarHBondContact O-OG1 3.26Å; T602-Y604 HydrophobicContact CG2-CD2 3.78Å; T602-Y604 HydrophobicContact CG2-CE2 3.43Å; T602-Y604 VanDerWaalsContact CG2-CE2 3.43Å
603	I	98.4	Very high	94.9	Very high	4 Å²	4	52.3 Å²	52.3	2%	0.021	28%	0.276	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.6	133.4	-175.9	-56.3	168.9	0	0	0	109.3	L547 I548 E549 L561 F617 L627	L547-I603 HydrophobicContact CD1-CG2 3.67Å; L547-I603 HydrophobicContact CD2-CG2 4.41Å; L547-I603 HydrophobicContact CG-CG2 3.97Å; I548-I603 WeakPolarHBondContact O-CA 3.34Å; E549-I603 HydrophobicContact CB-CG1 4.33Å; E549-I603 HydrophobicContact CG-CG1 4.23Å; L561-I603 HydrophobicContact CD2-CD1 3.8Å; I603-F617 HydrophobicContact CB-CB 3.98Å; I603-F617 HydrophobicContact CD1-CD1 4.5Å; I603-F617 HydrophobicContact CG2-CB 4.23Å; I603-F617 PolarHBondContact O-N 3.06Å; I603-L627 HydrophobicContact CD1-CD2 3.89Å
604	Y	98.5	Very high	95.4	Very high	16 Å²	16	47.4 Å²	47.4	6%	0.063	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.8	145.4	173.5	-79.7	-90.9	0	0	0	111.2	L547 I548 F550 Y595 K596 T602 P614 V615 K616	L547-Y604 CarbonylContact C-O 3.59Å; L547-Y604 WeakPolarHBondContact CA-O 3.31Å; I548-Y604 PolarHBondContact N-O 3.2Å; I548-Y604 PolarHBondContact O-N 3.41Å; F550-Y604 HydrophobicContact CD2-CD2 4.22Å; F550-Y604 AromaticContact CE2-CD2 3.87Å; F550-Y604 HydrophobicContact CE2-CD2 3.87Å; Y595-Y604 HydrophobicContact CD1-CD1 4.19Å; Y595-Y604 AromaticContact CD1-CD2 3.82Å; Y595-Y604 HydrophobicContact CD1-CD2 3.82Å; Y595-Y604 HydrophobicContact CD1-CE2 4.46Å; Y595-Y604 AromaticContact CD1-CG 3.64Å; Y595-Y604 HydrophobicContact CD1-CG 3.64Å; Y595-Y604 HydrophobicContact CE1-CG 4.16Å; K596-Y604 PolarHBondContact N-OH 3.21Å; K596-Y604 VanDerWaalsContact N-OH 3.15Å; K596-Y604 PolarHBondContact O-OH 2.67Å; T602-Y604 HydrophobicContact CG2-CD2 3.78Å; T602-Y604 HydrophobicContact CG2-CE2 3.43Å; T602-Y604 VanDerWaalsContact CG2-CE2 3.43Å; Y604-P614 HydrophobicContact CD1-CB 3.88Å; Y604-P614 HydrophobicContact CD1-CG 4.28Å; Y604-V615 CarbonylContact C-O 3.53Å; Y604-V615 VanDerWaalsContact CA-O 3.32Å; Y604-V615 WeakPolarHBondContact CA-O 3.25Å; Y604-K616 HydrophobicContact CD1-CB 3.88Å; Y604-K616 HydrophobicContact CD1-CG 4.4Å; Y604-K616 HydrophobicContact CE1-CB 3.5Å; Y604-K616 VanDerWaalsContact CE1-CB 3.5Å; Y604-K616 HydrophobicContact CE1-CD 4.35Å; Y604-K616 HydrophobicContact CE1-CG 3.96Å; Y604-K616 HydrophobicContact CE2-CD 4.42Å; Y604-K616 HydrophobicContact CE2-CG 4.2Å
605	F	98.1	Very high	95.7	Very high	0 Å²	0	44.2 Å²	44.2	0%	0	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.8	126.7	164.2	-167.3	-90.5	0	0	0	109.7	D545 V546 L547 L578 P607 P614 V615 F630 I631 H634 A635	D545-F605 HydrophobicContact CB-CE1 4.19Å; D545-F605 HydrophobicContact CB-CE2 4.33Å; D545-F605 HydrophobicContact CB-CZ 3.58Å; V546-F605 CarbonylContact O-C 3.5Å; V546-F605 WeakPolarHBondContact O-CA 3.33Å; L547-F605 HydrophobicContact CB-CD2 4.21Å; L547-F605 HydrophobicContact CD1-CB 4.16Å; L547-F605 HydrophobicContact CD1-CD2 3.91Å; L578-F605 HydrophobicContact CD1-CE2 3.91Å; L578-F605 HydrophobicContact CD1-CZ 4.4Å; F605-P607 HydrophobicContact CD1-CG 4.01Å; F605-P607 HydrophobicContact CE1-CB 4.38Å; F605-P607 HydrophobicContact CE1-CG 4.21Å; F605-P607 WeakPolarHBondContact O-CD 3.45Å; F605-P614 CarbonylContact O-C 3.57Å; F605-P614 VanDerWaalsContact O-CA 3.24Å; F605-P614 WeakPolarHBondContact O-CA 3.34Å; F605-V615 PolarHBondContact N-O 3.47Å; F605-V615 PolarHBondContact O-N 2.86Å; F605-F630 HydrophobicContact CB-CD1 4.49Å; F605-F630 HydrophobicContact CB-CE1 3.66Å; F605-F630 HydrophobicContact CB-CZ 4.06Å; F605-I631 HydrophobicContact CE2-CG1 4.38Å; F605-I631 HydrophobicContact CE2-CG2 4.43Å; F605-H634 HydrophobicContact CB-CB 4.5Å; F605-H634 HydrophobicContact CD1-CB 3.48Å; F605-H634 VanDerWaalsContact CD1-CB 3.48Å; F605-H634 VanDerWaalsContact CE1-C 3.46Å; F605-H634 HydrophobicContact CE1-CB 3.73Å; F605-H634 WeakPolarHBondContact CE1-O 3.46Å; F605-H634 HydrophobicContact CG-CB 3.96Å; F605-H634 HydrophobicContact CZ-CB 4.38Å; F605-A635 VanDerWaalsContact CZ-CA 3.48Å; F605-A635 HydrophobicContact CZ-CB 3.81Å
606	A	97.5	Very high	95.8	Very high	0 Å²	0	47 Å²	47	0%	0	26%	0.256	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.7	99.1	178.8	0	0	0	0	0	109.6	V539 V546 Y595 K611	V539-A606 HydrophobicContact CG1-CB 4.3Å; V546-A606 HydrophobicContact CB-CB 4.29Å; V546-A606 PolarHBondContact N-O 3.01Å; V546-A606 PolarHBondContact O-N 2.81Å; Y595-A606 WeakPolarHBondContact OH-CB 3.33Å; A606-K611 HydrophobicContact CB-CD 4.08Å; A606-K611 PolarHBondContact O-NZ 2.82Å
607	P	97.1	Very high	96	Very high	16 Å²	16	41.9 Å²	41.9	10%	0.104	23%	0.234	C	C	.	.			trans	-61.5	146.1	-176.1	-22.2	32.7	0	0	0	113.4	F605 G609 D610 K611 T636	F605-P607 HydrophobicContact CD1-CG 4.01Å; F605-P607 HydrophobicContact CE1-CB 4.38Å; F605-P607 HydrophobicContact CE1-CG 4.21Å; F605-P607 WeakPolarHBondContact O-CD 3.45Å; P607-G609 PolarHBondContact O-N 3.48Å; P607-D610 HydrophobicContact CB-CB 4.43Å; P607-D610 CarbonylContact O-C 3.51Å; P607-D610 PolarHBondContact O-N 3.19Å; P607-K611 WeakPolarHBondContact O-CD 3.35Å; P607-K611 WeakPolarHBondContact O-CE 3.42Å; P607-T636 HydrophobicContact CB-CG2 3.92Å
608	S	95.7	Very high	95.9	Very high	17 Å²	17	46.3 Å²	46.3	12%	0.119	25%	0.252	C	S	.	.	T	Hydrogen-bonded Turn	trans	-59.8	135.8	167.3	-172.7	0	0	0	0	109.4	P542 K543 K544 D545 D610 T636	P542-S608 CarbonylContact O-C 3.49Å; P542-S608 WeakPolarHBondContact O-CA 3.49Å; P542-S608 PolarHBondContact O-OG 3.21Å; K543-S608 VanDerWaalsContact C-OG 3.23Å; K544-S608 WeakPolarHBondContact O-CA 3.48Å; K544-S608 PolarHBondContact O-N 3.37Å; D545-S608 WeakPolarHBondContact OD1-CB 3.46Å; D545-S608 PolarHBondContact OD1-N 3.35Å; S608-D610 PolarHBondContact O-N 3.31Å; S608-D610 VanDerWaalsContact O-N 3.15Å; S608-T636 VanDerWaalsContact CB-OG1 3.29Å; S608-T636 WeakPolarHBondContact CB-OG1 3.42Å
609	G	94.3	Very high	95.3	Very high	65 Å²	65	43.5 Å²	43.5	67%	0.67	27%	0.265	S	S	*	.	T	Hydrogen-bonded Turn	trans	78.6	-20.6	-178.5	0	0	0	0	0	115	P542 P607	P542-G609 PolarHBondContact O-N 2.95Å; P607-G609 PolarHBondContact O-N 3.48Å
610	D	95.1	Very high	94.7	Very high	62 Å²	62	43.3 Å²	43.3	33%	0.332	26%	0.263	S	S	.	.			trans	-128.4	61.3	178.9	-166.1	7.1	0	0	0	113.3	P607 S608 K612 N613	P607-D610 HydrophobicContact CB-CB 4.43Å; P607-D610 CarbonylContact O-C 3.51Å; P607-D610 PolarHBondContact O-N 3.19Å; S608-D610 PolarHBondContact O-N 3.31Å; S608-D610 VanDerWaalsContact O-N 3.15Å; D610-K612 PolarHBondContact O-N 3.3Å; D610-K612 VanDerWaalsContact O-N 3.15Å; D610-K612 PolarHBondContact OD1-N 3.46Å; D610-N613 VanDerWaalsContact CG-ND2 3.28Å; D610-N613 PolarHBondContact O-N 3.48Å; D610-N613 PolarHBondContact OD1-N 3.14Å; D610-N613 PolarHBondContact OD1-ND2 3.03Å; D610-N613 WeakPolarHBondContact OD2-CB 3.46Å; D610-N613 PolarHBondContact OD2-ND2 2.99Å
611	K	94.4	Very high	94.5	Very high	15 Å²	15	46 Å²	46	7%	0.065	28%	0.28	C	S	.	.	T	Hydrogen-bonded Turn	trans	-68.9	-8	175.1	-59.2	-57.6	-176.2	174.9	0	114.2	V539 M540 D541 K544 A606 P607	V539-K611 WeakPolarHBondContact O-CD 3.34Å; V539-K611 VanDerWaalsContact O-CE 3.24Å; V539-K611 WeakPolarHBondContact O-CE 3.32Å; V539-K611 PolarHBondContact O-NZ 2.94Å; M540-K611 HydrophobicContact CE-CB 3.85Å; M540-K611 WeakPolarHBondContact CE-O 3.2Å; M540-K611 HydrophobicContact SD-CB 4.16Å; D541-K611 WeakPolarHBondContact O-CE 3.33Å; D541-K611 PolarHBondContact O-NZ 3.49Å; K544-K611 VanDerWaalsContact O-CE 3.29Å; K544-K611 WeakPolarHBondContact O-CE 3.45Å; K544-K611 PolarHBondContact O-NZ 3.24Å; A606-K611 HydrophobicContact CB-CD 4.08Å; A606-K611 PolarHBondContact O-NZ 2.82Å; P607-K611 WeakPolarHBondContact O-CD 3.35Å; P607-K611 WeakPolarHBondContact O-CE 3.42Å
612	K	92.1	Very high	94.3	Very high	137 Å²	137	50.9 Å²	50.9	60%	0.596	30%	0.298	S	S	*	.	T	Hydrogen-bonded Turn	trans	-82.1	-25.9	177.3	-75.9	-175.4	-176.8	179.3	0	110.4	R594 D610 P614	R594-K612 WeakPolarHBondContact CD-O 3.3Å; R594-K612 VanDerWaalsContact CZ-O 3.26Å; R594-K612 PolarHBondContact NE-O 3.21Å; R594-K612 VanDerWaalsContact NH1-C 3.33Å; R594-K612 VanDerWaalsContact NH1-CB 3.33Å; R594-K612 PolarHBondContact NH1-O 2.94Å; D610-K612 PolarHBondContact O-N 3.3Å; D610-K612 VanDerWaalsContact O-N 3.15Å; D610-K612 PolarHBondContact OD1-N 3.46Å; K612-P614 VanDerWaalsContact C-CD 3.44Å; K612-P614 WeakPolarHBondContact O-CD 3.42Å
613	N	95.4	Very high	94.2	Very high	89 Å²	89	52.9 Å²	52.9	48%	0.476	31%	0.308	S	S	.	.	S	Bend	trans	-119.4	73.2	-179	-54	-52	0	0	0	110.7	D610	D610-N613 VanDerWaalsContact CG-ND2 3.28Å; D610-N613 PolarHBondContact O-N 3.48Å; D610-N613 PolarHBondContact OD1-N 3.14Å; D610-N613 PolarHBondContact OD1-ND2 3.03Å; D610-N613 WeakPolarHBondContact OD2-CB 3.46Å; D610-N613 PolarHBondContact OD2-ND2 2.99Å
614	P	97.1	Very high	94	Very high	22 Å²	22	56 Å²	56	14%	0.143	32%	0.324	C	S	.	.	P	Polyproline II helix	trans	-66.7	137.4	172.4	31.8	-34.8	0	0	0	109.8	R594 Y595 Y604 F605 K612	R594-P614 HydrophobicContact CB-CG 3.87Å; Y595-P614 HydrophobicContact CD1-CB 4.23Å; Y595-P614 HydrophobicContact CD1-CG 4.38Å; Y595-P614 HydrophobicContact CD2-CG 4.48Å; Y595-P614 HydrophobicContact CE1-CB 3.61Å; Y595-P614 HydrophobicContact CE1-CG 4.08Å; Y595-P614 HydrophobicContact CE2-CB 4.43Å; Y595-P614 HydrophobicContact CE2-CG 4.17Å; Y604-P614 HydrophobicContact CD1-CB 3.88Å; Y604-P614 HydrophobicContact CD1-CG 4.28Å; F605-P614 CarbonylContact O-C 3.57Å; F605-P614 VanDerWaalsContact O-CA 3.24Å; F605-P614 WeakPolarHBondContact O-CA 3.34Å; K612-P614 VanDerWaalsContact C-CD 3.44Å; K612-P614 WeakPolarHBondContact O-CD 3.42Å
615	V	97.4	Very high	93.9	Very high	48 Å²	48	62.6 Å²	62.6	29%	0.291	36%	0.356	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.2	123.4	179.6	-171	0	0	0	0	108.7	Y604 F605 F630	Y604-V615 CarbonylContact C-O 3.53Å; Y604-V615 VanDerWaalsContact CA-O 3.32Å; Y604-V615 WeakPolarHBondContact CA-O 3.25Å; F605-V615 PolarHBondContact N-O 3.47Å; F605-V615 PolarHBondContact O-N 2.86Å; V615-F630 HydrophobicContact CB-CZ 4.33Å; V615-F630 HydrophobicContact CG1-CE2 4.08Å; V615-F630 HydrophobicContact CG1-CZ 4.09Å
616	K	97.6	Very high	93.8	Very high	66 Å²	66	65.8 Å²	65.8	29%	0.287	37%	0.371	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.9	138.9	176.9	-167.6	175.3	163.6	-153.5	0	109.6	Y604 E618	Y604-K616 HydrophobicContact CD1-CB 3.88Å; Y604-K616 HydrophobicContact CD1-CG 4.4Å; Y604-K616 HydrophobicContact CE1-CB 3.5Å; Y604-K616 VanDerWaalsContact CE1-CB 3.5Å; Y604-K616 HydrophobicContact CE1-CD 4.35Å; Y604-K616 HydrophobicContact CE1-CG 3.96Å; Y604-K616 HydrophobicContact CE2-CD 4.42Å; Y604-K616 HydrophobicContact CE2-CG 4.2Å; K616-E618 HydrophobicContact CB-CG 4.26Å; K616-E618 HydrophobicContact CD-CG 4.12Å; K616-E618 VanDerWaalsContact CD-OE1 3.28Å; K616-E618 WeakPolarHBondContact CD-OE1 3.28Å; K616-E618 VanDerWaalsContact CE-OE1 3.31Å; K616-E618 WeakPolarHBondContact CE-OE1 3.48Å; K616-E618 HydrophobicContact CG-CG 4Å; K616-E618 IonicContact NZ-OE1 2.9Å; K616-E618 PolarHBondContact NZ-OE1 3.12Å; K616-E618 PolarHBondContact O-N 3.1Å
617	F	97.2	Very high	93.8	Very high	25 Å²	25	65.8 Å²	65.8	11%	0.11	37%	0.371	C	S	.	.			trans	-75.4	114.9	170.7	179.8	-104.7	0	0	0	109.6	I603 G620 D621 R622 H626 L627 F630	I603-F617 HydrophobicContact CB-CB 3.98Å; I603-F617 HydrophobicContact CD1-CD1 4.5Å; I603-F617 HydrophobicContact CG2-CB 4.23Å; I603-F617 PolarHBondContact O-N 3.06Å; F617-G620 WeakPolarHBondContact CE1-O 3.47Å; F617-D621 WeakPolarHBondContact CZ-O 3.44Å; F617-R622 HydrophobicContact CE1-CG 4.08Å; F617-H626 HydrophobicContact CZ-CB 4.26Å; F617-L627 HydrophobicContact CD1-CD2 4.26Å; F617-L627 HydrophobicContact CD2-CD2 4.25Å; F617-L627 HydrophobicContact CE1-CD2 4.12Å; F617-L627 HydrophobicContact CE2-CD2 4.1Å; F617-L627 HydrophobicContact CG-CD2 4.31Å; F617-L627 HydrophobicContact CZ-CD2 4.03Å; F617-F630 HydrophobicContact CB-CD1 4.2Å; F617-F630 HydrophobicContact CB-CE1 3.8Å; F617-F630 HydrophobicContact CB-CE2 4.34Å; F617-F630 HydrophobicContact CB-CZ 3.89Å; F617-F630 HydrophobicContact CD2-CB 3.81Å; F617-F630 AromaticContact CD2-CD1 3.72Å; F617-F630 HydrophobicContact CD2-CD1 3.72Å; F617-F630 AromaticContact CD2-CD2 3.72Å; F617-F630 HydrophobicContact CD2-CD2 3.72Å; F617-F630 HydrophobicContact CD2-CE1 4.15Å; F617-F630 HydrophobicContact CD2-CE2 4.15Å; F617-F630 AromaticContact CD2-CG 3.49Å; F617-F630 HydrophobicContact CD2-CG 3.49Å; F617-F630 VanDerWaalsContact CD2-CG 3.49Å; F617-F630 HydrophobicContact CD2-CZ 4.36Å; F617-F630 HydrophobicContact CE2-CB 3.94Å; F617-F630 HydrophobicContact CE2-CD2 4.44Å; F617-F630 HydrophobicContact CE2-CG 4.13Å; F617-F630 HydrophobicContact CG-CD1 4.39Å; F617-F630 HydrophobicContact CG-CE1 4.46Å
618	E	91.9	Very high	93.8	Very high	136 Å²	136	65.3 Å²	65.3	64%	0.636	37%	0.367	S	S	*	.			trans	-136.3	150.7	-179.7	-62.1	-167.4	151.4	0	0	110.6	K616 G620	K616-E618 HydrophobicContact CB-CG 4.26Å; K616-E618 HydrophobicContact CD-CG 4.12Å; K616-E618 VanDerWaalsContact CD-OE1 3.28Å; K616-E618 WeakPolarHBondContact CD-OE1 3.28Å; K616-E618 VanDerWaalsContact CE-OE1 3.31Å; K616-E618 WeakPolarHBondContact CE-OE1 3.48Å; K616-E618 HydrophobicContact CG-CG 4Å; K616-E618 IonicContact NZ-OE1 2.9Å; K616-E618 PolarHBondContact NZ-OE1 3.12Å; K616-E618 PolarHBondContact O-N 3.1Å; E618-G620 PolarHBondContact O-N 3.46Å
619	G	78.9	Confident	93.8	Very high	97 Å²	97	71 Å²	71	100%	1	39%	0.39	S	S	*	.	S	Bend	trans	77.1	9.7	168.6	0	0	0	0	0	117.5
620	G	81.2	Confident	93.9	Very high	29 Å²	29	68.7 Å²	68.7	30%	0.299	36%	0.362	S	S	.	.	S	Bend	trans	-132.9	159.7	176.9	0	0	0	0	0	113.6	F617 E618	F617-G620 WeakPolarHBondContact CE1-O 3.47Å; E618-G620 PolarHBondContact O-N 3.46Å
621	D	90.9	Very high	93.9	Very high	110 Å²	110	65.8 Å²	65.8	59%	0.588	35%	0.346	S	S	*	.			trans	-66	150.3	173.8	-74.9	-36.5	0	0	0	111	F617 D623 H626	F617-D621 WeakPolarHBondContact CZ-O 3.44Å; D621-D623 WeakPolarHBondContact CB-OD2 3.42Å; D621-D623 PolarHBondContact O-N 3.34Å; D621-H626 WeakPolarHBondContact O-CB 3.49Å
622	R	93.6	Very high	93.9	Very high	104 Å²	104	69.3 Å²	69.3	39%	0.392	36%	0.363	S	S	.	.	S	Bend	trans	-87.4	41.5	-178.5	-70.3	177.4	-178.2	158.8	-5.8	111.9	L561 P601 F617	L561-R622 HydrophobicContact CD1-CB 4.22Å; P601-R622 PolarHBondContact O-NH2 3.26Å; F617-R622 HydrophobicContact CE1-CG 4.08Å
623	D	95.6	Very high	94	Very high	52 Å²	52	69.2 Å²	69.2	28%	0.278	37%	0.365	S	S	.	.	S	Bend	trans	-97.3	176.3	177.2	66.8	45.4	0	0	0	112.2	D621 E625 H626 L627	D621-D623 WeakPolarHBondContact CB-OD2 3.42Å; D621-D623 PolarHBondContact O-N 3.34Å; D623-E625 VanDerWaalsContact C-N 3.31Å; D623-E625 PolarHBondContact O-N 3.46Å; D623-E625 WeakPolarHBondContact OD1-CA 3.46Å; D623-E625 WeakPolarHBondContact OD1-CB 3.33Å; D623-E625 PolarHBondContact OD1-N 2.97Å; D623-H626 VanDerWaalsContact CG-ND1 3.27Å; D623-H626 IonicContact OD1-CG 3.7Å; D623-H626 PolarHBondContact OD1-N 3.37Å; D623-H626 IonicContact OD1-ND1 2.72Å; D623-H626 PolarHBondContact OD1-ND1 3Å; D623-H626 IonicContact OD2-CE1 2.78Å; D623-H626 IonicContact OD2-CG 3Å; D623-H626 IonicContact OD2-ND1 3.99Å; D623-H626 PolarHBondContact OD2-ND1 2.63Å; D623-L627 WeakPolarHBondContact O-CB 3.28Å; D623-L627 WeakPolarHBondContact O-CD1 3.33Å; D623-L627 VanDerWaalsContact O-CG 3.22Å; D623-L627 WeakPolarHBondContact O-CG 3.11Å; D623-L627 PolarHBondContact O-N 2.99Å
624	L	95.3	Very high	94	Very high	70 Å²	70	67.3 Å²	67.3	37%	0.366	35%	0.353	S	S	.	.	H	α-helix	trans	-67.1	-32.7	-176.1	-176.7	63.5	0	0	0	112.6	V564 L568 S628	V564-L624 HydrophobicContact CG1-CB 4.19Å; L568-L624 VanDerWaalsContact CA-CD1 3.48Å; L568-L624 HydrophobicContact CB-CD1 3.79Å; L568-L624 HydrophobicContact CD1-CD1 3.78Å; L568-L624 HydrophobicContact CG-CD1 4.44Å; L624-S628 WeakPolarHBondContact O-CB 3.39Å; L624-S628 PolarHBondContact O-N 3.08Å; L624-S628 VanDerWaalsContact O-N 3.1Å; L624-S628 PolarHBondContact O-OG 3.4Å
625	E	95.2	Very high	93.8	Very high	154 Å²	154	67.2 Å²	67.2	72%	0.72	35%	0.354	S	S	*	.	H	α-helix	trans	-73.2	-53.7	-175.6	-177.7	178.3	165.6	0	0	110.3	D623 L627 S628 K629	D623-E625 VanDerWaalsContact C-N 3.31Å; D623-E625 PolarHBondContact O-N 3.46Å; D623-E625 WeakPolarHBondContact OD1-CA 3.46Å; D623-E625 WeakPolarHBondContact OD1-CB 3.33Å; D623-E625 PolarHBondContact OD1-N 2.97Å; E625-L627 PolarHBondContact O-N 3.33Å; E625-S628 WeakPolarHBondContact O-CB 3.3Å; E625-S628 PolarHBondContact O-N 2.94Å; E625-S628 VanDerWaalsContact O-N 3.15Å; E625-K629 PolarHBondContact O-N 3.38Å
626	H	97.2	Very high	93.3	Very high	68 Å²	68	68.2 Å²	68.2	32%	0.315	36%	0.36	S	S	.	.	H	α-helix	trans	-62.9	-42.3	179.8	-72.7	96.1	0	0	0	112.3	F617 D621 D623 S628 K629 F630	F617-H626 HydrophobicContact CZ-CB 4.26Å; D621-H626 WeakPolarHBondContact O-CB 3.49Å; D623-H626 VanDerWaalsContact CG-ND1 3.27Å; D623-H626 IonicContact OD1-CG 3.7Å; D623-H626 PolarHBondContact OD1-N 3.37Å; D623-H626 IonicContact OD1-ND1 2.72Å; D623-H626 PolarHBondContact OD1-ND1 3Å; D623-H626 IonicContact OD2-CE1 2.78Å; D623-H626 IonicContact OD2-CG 3Å; D623-H626 IonicContact OD2-ND1 3.99Å; D623-H626 PolarHBondContact OD2-ND1 2.63Å; H626-S628 VanDerWaalsContact C-N 3.32Å; H626-S628 PolarHBondContact O-N 3.18Å; H626-K629 PolarHBondContact O-N 3.25Å; H626-F630 WeakPolarHBondContact O-CB 3.43Å; H626-F630 PolarHBondContact O-N 2.84Å
627	L	97.5	Very high	92.2	Very high	0 Å²	0	71.9 Å²	71.9	0%	0	38%	0.376	C	S	.	.	H	α-helix	trans	-67.4	-32.9	175.6	-68.3	173.7	0	0	0	112.4	L561 V564 Y565 L568 I603 F617 D623 E625 I631	L561-L627 HydrophobicContact CD1-CD1 3.84Å; V564-L627 HydrophobicContact CG1-CD1 4.29Å; Y565-L627 HydrophobicContact CD2-CD1 4.35Å; L568-L627 HydrophobicContact CD1-CB 3.97Å; L568-L627 HydrophobicContact CD2-CB 3.77Å; L568-L627 HydrophobicContact CD2-CD1 4.19Å; I603-L627 HydrophobicContact CD1-CD2 3.89Å; F617-L627 HydrophobicContact CD1-CD2 4.26Å; F617-L627 HydrophobicContact CD2-CD2 4.25Å; F617-L627 HydrophobicContact CE1-CD2 4.12Å; F617-L627 HydrophobicContact CE2-CD2 4.1Å; F617-L627 HydrophobicContact CG-CD2 4.31Å; F617-L627 HydrophobicContact CZ-CD2 4.03Å; D623-L627 WeakPolarHBondContact O-CB 3.28Å; D623-L627 WeakPolarHBondContact O-CD1 3.33Å; D623-L627 VanDerWaalsContact O-CG 3.22Å; D623-L627 WeakPolarHBondContact O-CG 3.11Å; D623-L627 PolarHBondContact O-N 2.99Å; E625-L627 PolarHBondContact O-N 3.33Å; L627-I631 WeakPolarHBondContact O-CG1 3.47Å; L627-I631 PolarHBondContact O-N 2.95Å; L627-I631 VanDerWaalsContact O-N 3.12Å
628	S	96	Very high	91.1	Very high	5 Å²	5	73.2 Å²	73.2	4%	0.035	38%	0.384	C	S	.	.	H	α-helix	trans	-66.2	-48.2	173.4	-68.4	0	0	0	0	111.4	K571 Y572 L624 E625 H626 F630 I631 E632	K571-S628 PolarHBondContact NZ-OG 3.35Å; Y572-S628 WeakPolarHBondContact OH-CA 3.2Å; Y572-S628 VanDerWaalsContact OH-CB 3.29Å; Y572-S628 WeakPolarHBondContact OH-CB 3.31Å; Y572-S628 PolarHBondContact OH-O 2.9Å; L624-S628 WeakPolarHBondContact O-CB 3.39Å; L624-S628 PolarHBondContact O-N 3.08Å; L624-S628 VanDerWaalsContact O-N 3.1Å; L624-S628 PolarHBondContact O-OG 3.4Å; E625-S628 WeakPolarHBondContact O-CB 3.3Å; E625-S628 PolarHBondContact O-N 2.94Å; E625-S628 VanDerWaalsContact O-N 3.15Å; H626-S628 VanDerWaalsContact C-N 3.32Å; H626-S628 PolarHBondContact O-N 3.18Å; S628-F630 VanDerWaalsContact C-N 3.27Å; S628-F630 PolarHBondContact O-N 3.48Å; S628-I631 WeakPolarHBondContact O-CB 3.45Å; S628-I631 PolarHBondContact O-N 2.89Å; S628-I631 VanDerWaalsContact O-N 3.14Å; S628-E632 WeakPolarHBondContact O-CB 3.24Å; S628-E632 WeakPolarHBondContact O-CG 3.42Å; S628-E632 PolarHBondContact O-N 3.38Å
629	K	95.4	Very high	89.9	Confident	137 Å²	137	70.3 Å²	70.3	60%	0.596	38%	0.379	S	S	*	.	H	α-helix	trans	-57.6	-42.9	177.4	-175.4	-179.8	177.1	-175.8	0	111.2	E625 H626 I631 E632 E633	E625-K629 PolarHBondContact O-N 3.38Å; H626-K629 PolarHBondContact O-N 3.25Å; K629-I631 PolarHBondContact O-N 3.11Å; K629-E632 PolarHBondContact O-N 2.75Å; K629-E633 WeakPolarHBondContact O-CB 3.25Å; K629-E633 PolarHBondContact O-N 2.78Å
630	F	96.8	Very high	88.9	Confident	17 Å²	17	75 Å²	75	8%	0.075	37%	0.366	C	S	.	.	H	α-helix	trans	-62.6	-41.8	176.3	-175.9	-113.5	0	0	0	113.2	L547 F605 V615 F617 H626 S628 E632 H634	L547-F630 HydrophobicContact CD1-CD1 3.89Å; L547-F630 HydrophobicContact CD1-CE1 3.87Å; F605-F630 HydrophobicContact CB-CD1 4.49Å; F605-F630 HydrophobicContact CB-CE1 3.66Å; F605-F630 HydrophobicContact CB-CZ 4.06Å; V615-F630 HydrophobicContact CB-CZ 4.33Å; V615-F630 HydrophobicContact CG1-CE2 4.08Å; V615-F630 HydrophobicContact CG1-CZ 4.09Å; F617-F630 HydrophobicContact CB-CD1 4.2Å; F617-F630 HydrophobicContact CB-CE1 3.8Å; F617-F630 HydrophobicContact CB-CE2 4.34Å; F617-F630 HydrophobicContact CB-CZ 3.89Å; F617-F630 HydrophobicContact CD2-CB 3.81Å; F617-F630 AromaticContact CD2-CD1 3.72Å; F617-F630 HydrophobicContact CD2-CD1 3.72Å; F617-F630 AromaticContact CD2-CD2 3.72Å; F617-F630 HydrophobicContact CD2-CD2 3.72Å; F617-F630 HydrophobicContact CD2-CE1 4.15Å; F617-F630 HydrophobicContact CD2-CE2 4.15Å; F617-F630 AromaticContact CD2-CG 3.49Å; F617-F630 HydrophobicContact CD2-CG 3.49Å; F617-F630 VanDerWaalsContact CD2-CG 3.49Å; F617-F630 HydrophobicContact CD2-CZ 4.36Å; F617-F630 HydrophobicContact CE2-CB 3.94Å; F617-F630 HydrophobicContact CE2-CD2 4.44Å; F617-F630 HydrophobicContact CE2-CG 4.13Å; F617-F630 HydrophobicContact CG-CD1 4.39Å; F617-F630 HydrophobicContact CG-CE1 4.46Å; H626-F630 WeakPolarHBondContact O-CB 3.43Å; H626-F630 PolarHBondContact O-N 2.84Å; S628-F630 VanDerWaalsContact C-N 3.27Å; S628-F630 PolarHBondContact O-N 3.48Å; F630-E632 VanDerWaalsContact C-N 3.34Å; F630-H634 AromaticContact CD2-CD2 3.38Å; F630-H634 WeakPolarHBondContact CD2-CD2 3.21Å; F630-H634 AromaticContact CD2-NE2 3.46Å; F630-H634 WeakPolarHBondContact CD2-NE2 3.36Å; F630-H634 AromaticContact CE2-CD2 3.21Å; F630-H634 WeakPolarHBondContact CE2-CD2 3.4Å; F630-H634 AromaticContact CE2-NE2 3.16Å; F630-H634 WeakPolarHBondContact CE2-NE2 3.42Å; F630-H634 AromaticContact CZ-CD2 3.7Å; F630-H634 PolarHBondContact O-CD2 3.06Å; F630-H634 PolarHBondContact O-N 3.32Å
631	I	95.9	Very high	87.5	Confident	0 Å²	0	77.5 Å²	77.5	0%	0	38%	0.376	C	S	.	.	H	α-helix	trans	-61.3	-45.8	172	-72.7	168.7	0	0	0	110.2	L547 L568 Y572 L578 I580 F605 L627 S628 K629 E633 H634 A635 L638	L547-I631 HydrophobicContact CD1-CG1 4.45Å; L547-I631 HydrophobicContact CD2-CD1 3.95Å; L547-I631 HydrophobicContact CD2-CG1 4.11Å; L568-I631 HydrophobicContact CD1-CD1 4.01Å; L568-I631 HydrophobicContact CD2-CD1 3.84Å; L568-I631 HydrophobicContact CG-CD1 3.96Å; Y572-I631 HydrophobicContact CD2-CD1 3.78Å; Y572-I631 HydrophobicContact CE1-CG2 4.19Å; Y572-I631 HydrophobicContact CE2-CB 4.45Å; Y572-I631 HydrophobicContact CE2-CD1 3.6Å; Y572-I631 HydrophobicContact CE2-CG2 4.3Å; L578-I631 HydrophobicContact CD2-CD1 4.36Å; L578-I631 HydrophobicContact CD2-CG2 3.57Å; I580-I631 HydrophobicContact CD1-CD1 3.73Å; F605-I631 HydrophobicContact CE2-CG1 4.38Å; F605-I631 HydrophobicContact CE2-CG2 4.43Å; L627-I631 WeakPolarHBondContact O-CG1 3.47Å; L627-I631 PolarHBondContact O-N 2.95Å; L627-I631 VanDerWaalsContact O-N 3.12Å; S628-I631 WeakPolarHBondContact O-CB 3.45Å; S628-I631 PolarHBondContact O-N 2.89Å; S628-I631 VanDerWaalsContact O-N 3.14Å; K629-I631 PolarHBondContact O-N 3.11Å; I631-E633 VanDerWaalsContact C-N 3.32Å; I631-E633 PolarHBondContact O-N 2.93Å; I631-H634 PolarHBondContact O-N 2.49Å; I631-A635 HydrophobicContact CG2-CB 4.41Å; I631-A635 WeakPolarHBondContact O-CB 3.18Å; I631-A635 PolarHBondContact O-N 2.82Å; I631-L638 HydrophobicContact CG2-CD1 4.33Å
632	E	94.3	Very high	85.3	Confident	89 Å²	89	81.2 Å²	81.2	42%	0.416	39%	0.386	S	S	.	.	H	α-helix	trans	-65.5	-33.5	-176.9	-73.3	160.2	-161.1	0	0	113.2	K571 Y572 S628 K629 F630 L638	K571-E632 IonicContact NZ-OE1 2.71Å; K571-E632 PolarHBondContact NZ-OE1 3.45Å; Y572-E632 PolarHBondContact OH-OE1 3.18Å; S628-E632 WeakPolarHBondContact O-CB 3.24Å; S628-E632 WeakPolarHBondContact O-CG 3.42Å; S628-E632 PolarHBondContact O-N 3.38Å; K629-E632 PolarHBondContact O-N 2.75Å; F630-E632 VanDerWaalsContact C-N 3.34Å; E632-L638 HydrophobicContact CB-CD1 4.19Å; E632-L638 HydrophobicContact CG-CD1 3.85Å
633	E	94.2	Very high	83.1	Confident	136 Å²	136	85.2 Å²	85.2	64%	0.636	41%	0.41	S	S	*	.	H	α-helix	trans	-71.1	-35.8	176.5	-174.1	172.1	174.6	0	0	113.1	K629 I631	K629-E633 WeakPolarHBondContact O-CB 3.25Å; K629-E633 PolarHBondContact O-N 2.78Å; I631-E633 VanDerWaalsContact C-N 3.32Å; I631-E633 PolarHBondContact O-N 2.93Å
634	H	94.8	Very high	80.7	Confident	48 Å²	48	88.9 Å²	88.9	22%	0.222	43%	0.425	C	S	.	.	H	α-helix	trans	-108	-15.5	-171.9	-62.6	-52.7	0	0	0	115.3	F605 F630 I631 T636	F605-H634 HydrophobicContact CB-CB 4.5Å; F605-H634 HydrophobicContact CD1-CB 3.48Å; F605-H634 VanDerWaalsContact CD1-CB 3.48Å; F605-H634 VanDerWaalsContact CE1-C 3.46Å; F605-H634 HydrophobicContact CE1-CB 3.73Å; F605-H634 WeakPolarHBondContact CE1-O 3.46Å; F605-H634 HydrophobicContact CG-CB 3.96Å; F605-H634 HydrophobicContact CZ-CB 4.38Å; F630-H634 AromaticContact CD2-CD2 3.38Å; F630-H634 WeakPolarHBondContact CD2-CD2 3.21Å; F630-H634 AromaticContact CD2-NE2 3.46Å; F630-H634 WeakPolarHBondContact CD2-NE2 3.36Å; F630-H634 AromaticContact CE2-CD2 3.21Å; F630-H634 WeakPolarHBondContact CE2-CD2 3.4Å; F630-H634 AromaticContact CE2-NE2 3.16Å; F630-H634 WeakPolarHBondContact CE2-NE2 3.42Å; F630-H634 AromaticContact CZ-CD2 3.7Å; F630-H634 PolarHBondContact O-CD2 3.06Å; F630-H634 PolarHBondContact O-N 3.32Å; I631-H634 PolarHBondContact O-N 2.49Å; H634-T636 PolarHBondContact O-N 3.43Å
635	A	92.8	Very high	77.9	Confident	21 Å²	21	94.1 Å²	94.1	17%	0.174	45%	0.453	C	S	.	.			trans	-68.2	136.1	-178.5	0	0	0	0	0	112.3	F605 I631 L638	F605-A635 VanDerWaalsContact CZ-CA 3.48Å; F605-A635 HydrophobicContact CZ-CB 3.81Å; I631-A635 HydrophobicContact CG2-CB 4.41Å; I631-A635 WeakPolarHBondContact O-CB 3.18Å; I631-A635 PolarHBondContact O-N 2.82Å; A635-L638 HydrophobicContact CB-CD1 3.52Å; A635-L638 HydrophobicContact CB-CG 3.58Å
636	T	87.8	Confident	77	Confident	69 Å²	69	91.2 Å²	91.2	42%	0.423	44%	0.439	S	S	.	.	S	Bend	trans	-86	-23.7	-175.8	61.7	0	0	0	0	112.2	D545 P607 S608 H634	D545-T636 VanDerWaalsContact CG-OG1 3.3Å; D545-T636 PolarHBondContact OD1-N 2.75Å; D545-T636 PolarHBondContact OD1-OG1 2.66Å; D545-T636 PolarHBondContact OD2-N 3.35Å; D545-T636 PolarHBondContact OD2-OG1 3.34Å; D545-T636 VanDerWaalsContact OD2-OG1 3.06Å; P607-T636 HydrophobicContact CB-CG2 3.92Å; S608-T636 VanDerWaalsContact CB-OG1 3.29Å; S608-T636 WeakPolarHBondContact CB-OG1 3.42Å; H634-T636 PolarHBondContact O-N 3.43Å
637	K	73.2	Confident	76	Confident	142 Å²	142	92.4 Å²	92.4	62%	0.617	45%	0.446	S	S	*	.			trans	-144.9	52.1	-173.1	-62.9	179.6	-174	166.8	0	113.2	D545 S639	D545-K637 PolarHBondContact OD2-N 2.95Å; K637-S639 PolarHBondContact O-N 3.14Å
638	L	74.7	Confident	74.8	Confident	54 Å²	54	97.5 Å²	97.5	28%	0.283	47%	0.471	S	S	.	.	P	Polyproline II helix	trans	-70.8	116.8	167.5	-83.6	163.4	0	0	0	110	Y572 Q575 I631 E632 A635 R640	Y572-L638 HydrophobicContact CD1-CD2 4.04Å; Y572-L638 HydrophobicContact CE1-CD2 3.92Å; Q575-L638 HydrophobicContact CG-CD2 3.93Å; I631-L638 HydrophobicContact CG2-CD1 4.33Å; E632-L638 HydrophobicContact CB-CD1 4.19Å; E632-L638 HydrophobicContact CG-CD1 3.85Å; A635-L638 HydrophobicContact CB-CD1 3.52Å; A635-L638 HydrophobicContact CB-CG 3.58Å; L638-R640 PolarHBondContact O-N 2.86Å
639	S	67.5	Low	73.5	Confident	74 Å²	74	102.9 Å²	102.9	52%	0.517	50%	0.496	S	S	.	.	P	Polyproline II helix	trans	-77.2	117.3	167.8	58.4	0	0	0	0	108.7	Q575 K637 T641	Q575-S639 PolarHBondContact NE2-O 2.7Å; Q575-S639 PolarHBondContact OE1-OG 2.92Å; K637-S639 PolarHBondContact O-N 3.14Å; S639-T641 PolarHBondContact O-N 2.88Å; S639-T641 VanDerWaalsContact O-N 3.16Å
640	R	56.6	Low	72.2	Confident	197 Å²	197	100.8 Å²	100.8	74%	0.743	49%	0.49	S	S	*	.	P	Polyproline II helix	trans	-58.2	122.6	174.7	-70.8	-174.2	-178.9	178.6	-1.1	109.1	L638	L638-R640 PolarHBondContact O-N 2.86Å
641	T	52	Low	70.5	Confident	80 Å²	80	106.4 Å²	106.4	49%	0.491	52%	0.518	S	S	.	.	P	Polyproline II helix	trans	-72.6	147.7	174.5	24.3	0	0	0	0	109.8	S639 E643 E644	S639-T641 PolarHBondContact O-N 2.88Å; S639-T641 VanDerWaalsContact O-N 3.16Å; T641-E643 PolarHBondContact O-N 2.79Å; T641-E644 PolarHBondContact O-N 3.06Å
642	K	45.6	Very low	68.7	Low	188 Å²	188	114 Å²	114	82%	0.817	56%	0.555	S	S	*	*	T	Hydrogen-bonded Turn	trans	-59.5	-5.5	-173.4	-126.8	-176.9	-177.6	-173.4	0	115.9
643	E	46.9	Very low	66.8	Low	189 Å²	189	115.9 Å²	115.9	88%	0.883	57%	0.566	S	S	*	*	T	Hydrogen-bonded Turn	trans	-87.8	-12.1	175.4	-74.7	177.7	160.1	0	0	112.9	T641	T641-E643 PolarHBondContact O-N 2.79Å
644	E	44.6	Very low	64.5	Low	129 Å²	129	114.3 Å²	114.3	60%	0.603	56%	0.56	S	S	*	*			trans	-99.2	-1.5	175.2	-67.1	177.6	169.2	0	0	113.5	T641	T641-E644 PolarHBondContact O-N 3.06Å
645	L	37.5	Very low	61.7	Low	180 Å²	180	120.3 Å²	120.3	94%	0.942	59%	0.59	S	S	*	*			trans	-106.4	0	170.2	-75	169.6	0	0	0	108.7

Retrieved 645 of 645 residues in 449.5 ms (Link to these results)

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