A0A093H6K6_STRCA Loading...

Protein PALS1

AlphaFold DB , UniProt , Accession A0A093H6K6, Species STRCA (Struthio camelus australis), Gene n/a, Length 675 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	25.9	Very low	24.3	Very low	233 Å²	233	141.7 Å²	141.7	100%	1.148	79%	0.794	S	S	*	*				0	160.4	0	-76.7	179.2	172.1	0	0	108.7
2	T	24	Very low	24.4	Very low	146 Å²	146	143.6 Å²	143.6	90%	0.896	79%	0.792	S	S	*	*			trans	56.6	116.8	161.3	44.9	0	0	0	0	119.2
3	T	22.6	Very low	24.6	Very low	129 Å²	129	144.2 Å²	144.2	79%	0.791	79%	0.794	S	S	*	*			trans	-93.9	158.2	168.4	45.1	0	0	0	0	112.1
4	S	23.6	Very low	24.8	Very low	108 Å²	108	140 Å²	140	76%	0.755	78%	0.779	S	S	*	*			trans	-163	123.6	145.2	58.7	0	0	0	0	107.7
5	H	23.2	Very low	25	Very low	159 Å²	159	141.5 Å²	141.5	74%	0.736	79%	0.785	S	S	*	*				51.5	140.6	67.5	-69.3	-62.8	0	0	0	114.2
6	M	24.3	Very low	25.2	Very low	142 Å²	142	138.6 Å²	138.6	70%	0.7	78%	0.778	S	S	*	*			cis	-176.2	165	-30.6	-124.8	178.5	78.6	0	0	107.8
7	N	25	Very low	25.5	Very low	151 Å²	151	141.4 Å²	141.4	81%	0.807	78%	0.783	S	S	*	*			trans	70.1	148.6	174.5	-47.7	-23.7	0	0	0	115.5
8	G	24.7	Very low	25.7	Very low	69 Å²	69	137.4 Å²	137.4	71%	0.711	77%	0.772	S	S	*	*			cis	175.8	166.7	-8.3	0	0	0	0	0	113.3
9	H	23.7	Very low	25.9	Very low	183 Å²	183	140.4 Å²	140.4	85%	0.847	78%	0.776	S	S	*	*			trans	20.6	148.1	144.1	-83.7	-9.2	0	0	0	122.1
10	I	25.6	Very low	26	Very low	119 Å²	119	140 Å²	140	61%	0.61	77%	0.772	S	S	*	*			cis	-159.6	154.4	8.4	-98.1	148.3	0	0	0	108.5
11	T	25.2	Very low	26.1	Very low	120 Å²	120	138.9 Å²	138.9	74%	0.736	77%	0.769	S	S	*	*			trans	165.8	130.7	140.2	41.6	0	0	0	0	108
12	E	25.4	Very low	26.1	Very low	164 Å²	164	134 Å²	134	77%	0.766	75%	0.748	S	S	*	*				59.3	131.2	65.9	-63.5	179.1	-176.5	0	0	113.2
13	D	26.8	Very low	26.3	Very low	152 Å²	152	134.4 Å²	134.4	81%	0.813	74%	0.744	S	S	*	*			cis	-161.5	-166.8	-21.1	-138.8	55.7	0	0	0	107.9
14	S	27.7	Very low	26.4	Very low	85 Å²	85	132.9 Å²	132.9	59%	0.594	75%	0.745	S	S	*	*			cis	-166.3	165.8	11.2	37.6	0	0	0	0	110.3
15	D	27.6	Very low	26.5	Very low	162 Å²	162	133.2 Å²	133.2	87%	0.866	75%	0.745	S	S	*	*			trans	61.4	157.1	161.4	-65.9	-27.5	0	0	0	119.6
16	S	28.7	Very low	26.9	Very low	96 Å²	96	131.8 Å²	131.8	67%	0.671	75%	0.75	S	S	*	*			cis	-152.2	161.5	16.5	62.2	0	0	0	0	114.9
17	E	29.1	Very low	26.9	Very low	185 Å²	185	133.4 Å²	133.4	86%	0.864	76%	0.756	S	S	*	*			trans	43.1	148.4	147.6	-64.9	-170.1	130.8	0	0	123.9
18	A	29.9	Very low	27	Very low	71 Å²	71	135.1 Å²	135.1	59%	0.587	76%	0.759	S	S	*	*			cis	-172.6	141.2	-20.6	0	0	0	0	0	112.3
19	K	29.3	Very low	27.2	Very low	194 Å²	194	137.7 Å²	137.7	84%	0.843	76%	0.764	S	S	*	*			trans	69.3	149.8	156.9	-66.1	165.3	-174.8	165.2	0	117.2
20	N	28.3	Very low	27.3	Very low	131 Å²	131	137.3 Å²	137.3	70%	0.701	76%	0.762	S	S	*	*			cis	-160.6	149	11.3	-127.6	13	0	0	0	111.8
21	V	27.8	Very low	27.3	Very low	117 Å²	117	141.5 Å²	141.5	71%	0.709	78%	0.776	S	S	*	*			trans	61.8	129.7	140.6	172.8	0	0	0	0	118.8
22	D	25.4	Very low	27.3	Very low	131 Å²	131	144 Å²	144	70%	0.701	78%	0.779	S	S	*	*			cis	-158.5	165.1	5	-131.2	-18	0	0	0	114.2
23	L	28	Very low	27.4	Very low	154 Å²	154	146.7 Å²	146.7	81%	0.806	78%	0.782	S	S	*	*			trans	37.5	114	151	-70.5	159.7	0	0	0	122.7
24	A	24.3	Very low	27.4	Very low	98 Å²	98	148.3 Å²	148.3	81%	0.81	79%	0.785	S	S	*	*				173.8	125.9	125.4	0	0	0	0	0	114.7
25	C	26	Very low	27.4	Very low	114 Å²	114	151.8 Å²	151.8	77%	0.77	79%	0.794	S	S	*	*			trans	179.8	164.2	157.5	-104.6	0	0	0	0	109.6
26	P	31.9	Very low	27.4	Very low	129 Å²	129	149 Å²	149	84%	0.838	79%	0.793	S	S	*	*			cis	-117	-176.6	26.4	41.2	-29.6	0	0	0	116.1
27	E	25.5	Very low	27.4	Very low	177 Å²	177	150.3 Å²	150.3	83%	0.827	80%	0.797	S	S	*	*			trans	-100.9	162.5	-166.8	-53.2	172.2	117.9	0	0	113.9
28	E	25.6	Very low	27.3	Very low	186 Å²	186	149.3 Å²	149.3	87%	0.869	80%	0.797	S	S	*	*			trans	-126.1	150.8	154.8	-87.8	-163.1	163.5	0	0	110.1
29	P	29.3	Very low	27.2	Very low	124 Å²	124	151.5 Å²	151.5	81%	0.805	81%	0.807	S	S	*	*	P	Polyproline II helix	trans	-80.9	138.6	-159.7	30.3	-36.1	0	0	0	115.1	K31	P29-K31 PolarHBondContact O-N 2.74Å
30	Q	24.9	Very low	27.3	Very low	175 Å²	175	148.8 Å²	148.8	82%	0.818	81%	0.809	S	S	*	*	P	Polyproline II helix	trans	-72.2	121.4	171.6	-65.8	178.9	-16.6	0	0	111.5
31	K	27.1	Very low	27.3	Very low	207 Å²	207	146.1 Å²	146.1	90%	0.9	81%	0.813	S	S	*	*	P	Polyproline II helix	trans	-74.4	128.2	161.5	-73.9	-172.3	174.2	-175.6	0	109.6	P29	P29-K31 PolarHBondContact O-N 2.74Å
32	H	25.6	Very low	27.5	Very low	173 Å²	173	147.8 Å²	147.8	80%	0.801	82%	0.818	S	S	*	*	P	Polyproline II helix	trans	-68.1	158.7	177	-105.1	44.9	0	0	0	112
33	R	26.3	Very low	27.5	Very low	219 Å²	219	149 Å²	149	83%	0.826	82%	0.823	S	S	*	*			trans	-126.5	90.7	-172.6	-175.4	-171.1	-169.3	-177.1	4.8	108.9
34	E	27.4	Very low	27.3	Very low	187 Å²	187	145.3 Å²	145.3	87%	0.874	82%	0.823	S	S	*	*			trans	-80.6	130.8	179.1	-65.7	-175.4	147.8	0	0	110.5
35	M	27.1	Very low	27.8	Very low	158 Å²	158	147 Å²	147	78%	0.778	83%	0.828	S	S	*	*			trans	-125.5	126.2	165.3	-56	-172.2	-47.2	0	0	105.9
36	A	28.1	Very low	27.9	Very low	103 Å²	103	152.9 Å²	152.9	85%	0.851	84%	0.835	S	S	*	*			trans	-113.5	116.9	167.9	0	0	0	0	0	107.9
37	V	29.6	Very low	27.8	Very low	124 Å²	124	155.7 Å²	155.7	75%	0.752	84%	0.838	S	S	*	*			trans	-141.4	99.2	173	-171.4	0	0	0	0	106.6
38	D	26.3	Very low	27.8	Very low	164 Å²	164	154.8 Å²	154.8	88%	0.877	84%	0.836	S	S	*	*			trans	-134.7	123.4	176	-99.1	-47.8	0	0	0	109.8
39	C	26.7	Very low	28	Very low	117 Å²	117	151.8 Å²	151.8	79%	0.791	83%	0.833	S	S	*	*			trans	-114.9	114.1	176.9	-63.3	0	0	0	0	109.1
40	P	31.9	Very low	28.5	Very low	136 Å²	136	155 Å²	155	88%	0.883	84%	0.839	S	S	*	*			trans	-77.7	148.9	167.2	24.8	-19	0	0	0	110.6
41	G	28.3	Very low	29.1	Very low	76 Å²	76	158.5 Å²	158.5	78%	0.784	85%	0.845	S	S	*	*			trans	-122.7	142.2	-173.1	0	0	0	0	0	115.4
42	D	31.2	Very low	29.7	Very low	151 Å²	151	155.7 Å²	155.7	81%	0.807	83%	0.829	S	S	*	*			trans	82.5	153.8	149.3	-150.9	15.1	0	0	0	120.9
43	L	25.9	Very low	30.8	Very low	157 Å²	157	150 Å²	150	82%	0.822	81%	0.808	S	S	*	*			trans	70	108.5	168.2	-53.1	-177.8	0	0	0	119.5
44	G	24.6	Very low	31.6	Very low	77 Å²	77	143 Å²	143	79%	0.794	80%	0.798	S	S	*	*			trans	175.8	58.2	166.9	0	0	0	0	0	118.1	R46	G44-R46 PolarHBondContact O-N 2.75Å; G44-R46 VanDerWaalsContact O-N 3.14Å
45	S	35.6	Very low	32.3	Very low	133 Å²	133	137.6 Å²	137.6	93%	0.93	77%	0.772	S	S	*	*			trans	-69.2	109.4	175.6	-174.7	0	0	0	0	112.6
46	R	27.2	Very low	33	Very low	238 Å²	238	133.9 Å²	133.9	90%	0.898	76%	0.755	S	S	*	*			trans	-141.6	153.1	167.2	-87.9	-172.1	170.9	179.1	-2.1	111.5	G44	G44-R46 PolarHBondContact O-N 2.75Å; G44-R46 VanDerWaalsContact O-N 3.14Å
47	M	29	Very low	34.1	Very low	187 Å²	187	132.2 Å²	132.2	92%	0.921	73%	0.73	S	S	*	*	P	Polyproline II helix	trans	-82	137.8	-170.2	-66	163.9	59.8	0	0	112.7
48	M	26.1	Very low	35	Very low	159 Å²	159	133.4 Å²	133.4	78%	0.783	72%	0.721	S	S	*	*	P	Polyproline II helix	trans	-67.9	135.8	175.6	-72.4	-77.1	-174.6	0	0	112.7
49	P	30.7	Very low	36.1	Very low	122 Å²	122	129.3 Å²	129.3	79%	0.792	70%	0.698	S	S	*	*	P	Polyproline II helix	trans	-66.9	139.1	159.2	-18	32.7	0	0	0	111.2	R51	P49-R51 PolarHBondContact O-N 3.03Å
50	M	38.3	Very low	37.2	Very low	192 Å²	192	129.5 Å²	129.5	95%	0.946	68%	0.682	S	S	*	*	S	Bend	trans	-99.1	85.1	-167.7	-172.4	-179.1	-170.9	0	0	112.3
51	R	37.3	Very low	38.1	Very low	248 Å²	248	128.2 Å²	128.2	94%	0.936	67%	0.665	S	S	*	*			trans	-163.2	58.3	169.1	-115.7	173.6	-152.4	-155.5	4.8	114.4	P49	P49-R51 PolarHBondContact O-N 3.03Å
52	R	40.2	Very low	39.1	Very low	149 Å²	149	131 Å²	131	56%	0.562	66%	0.657	S	S	*	*			trans	-64.3	148.4	165.4	-74.8	176.2	176.9	168.3	3.3	110.7	A54 E57	R52-A54 PolarHBondContact O-N 3.08Å; R52-E57 WeakPolarHBondContact CB-OE2 3.24Å; R52-E57 WeakPolarHBondContact CD-OE1 3.42Å; R52-E57 WeakPolarHBondContact CD-OE2 3.36Å; R52-E57 IonicContact CZ-OE1 2.73Å; R52-E57 IonicContact NH1-OE1 3.97Å; R52-E57 PolarHBondContact NH1-OE1 2.89Å
53	S	48.4	Very low	39.9	Very low	53 Å²	53	129.9 Å²	129.9	37%	0.371	65%	0.647	S	S	.	*			trans	-67.7	129.2	176.1	67.7	0	0	0	0	110.2	Q55 L56 E57	S53-Q55 PolarHBondContact O-N 3.01Å; S53-L56 PolarHBondContact O-N 3.24Å; S53-L56 WeakPolarHBondContact OG-CG 3.33Å; S53-E57 PolarHBondContact O-N 3.19Å; S53-E57 VanDerWaalsContact O-N 3.16Å
54	A	43.2	Very low	41.4	Very low	73 Å²	73	126.6 Å²	126.6	60%	0.603	63%	0.628	S	S	*	*	T	Hydrogen-bonded Turn	trans	-69.8	12.4	-175.8	0	0	0	0	0	113.9	R52 R58	R52-A54 PolarHBondContact O-N 3.08Å; A54-R58 PolarHBondContact O-NE 2.87Å; A54-R58 PolarHBondContact O-NH2 3.25Å; A54-R58 VanDerWaalsContact O-NH2 3.1Å
55	Q	42.3	Very low	42.8	Very low	72 Å²	72	126.1 Å²	126.1	34%	0.336	61%	0.607	S	S	.	*	T	Hydrogen-bonded Turn	trans	-106.8	-44.8	173.4	-174.2	142.7	-33	0	0	111	S53 E57 R58 I59	S53-Q55 PolarHBondContact O-N 3.01Å; Q55-E57 VanDerWaalsContact C-N 3.33Å; Q55-R58 WeakPolarHBondContact O-CA 3.43Å; Q55-R58 WeakPolarHBondContact O-CB 3.45Å; Q55-R58 PolarHBondContact O-N 2.93Å; Q55-R58 VanDerWaalsContact O-N 3.09Å; Q55-I59 HydrophobicContact CG-CD1 4.41Å; Q55-I59 WeakPolarHBondContact O-CG1 3.31Å; Q55-I59 PolarHBondContact O-N 3.37Å
56	L	42.9	Very low	43.3	Very low	81 Å²	81	125 Å²	125	42%	0.424	59%	0.588	S	S	.	*	H	α-helix	trans	-63.4	-40.7	170.2	-68.4	177.7	0	0	0	111.1	S53 R58 I59 R60 F318	S53-L56 PolarHBondContact O-N 3.24Å; S53-L56 WeakPolarHBondContact OG-CG 3.33Å; L56-R58 VanDerWaalsContact C-N 3.27Å; L56-R58 PolarHBondContact O-N 2.95Å; L56-I59 PolarHBondContact O-N 3.5Å; L56-R60 WeakPolarHBondContact O-CB 3.48Å; L56-R60 PolarHBondContact O-N 3.36Å; L56-F318 HydrophobicContact CD1-CE1 4.25Å; L56-F318 HydrophobicContact CD1-CZ 4.48Å
57	E	49.8	Very low	44.9	Very low	68 Å²	68	120.4 Å²	120.4	32%	0.318	57%	0.571	S	S	.	*	H	α-helix	trans	-63.4	-33.9	172.9	-145	97	-121.5	0	0	111.2	R52 S53 Q55 Q61	R52-E57 WeakPolarHBondContact CB-OE2 3.24Å; R52-E57 WeakPolarHBondContact CD-OE1 3.42Å; R52-E57 WeakPolarHBondContact CD-OE2 3.36Å; R52-E57 IonicContact CZ-OE1 2.73Å; R52-E57 IonicContact NH1-OE1 3.97Å; R52-E57 PolarHBondContact NH1-OE1 2.89Å; S53-E57 PolarHBondContact O-N 3.19Å; S53-E57 VanDerWaalsContact O-N 3.16Å; Q55-E57 VanDerWaalsContact C-N 3.33Å; E57-Q61 WeakPolarHBondContact O-CA 3.48Å; E57-Q61 WeakPolarHBondContact O-CB 3.24Å; E57-Q61 PolarHBondContact O-N 2.83Å
58	R	49.1	Very low	46.1	Very low	148 Å²	148	118.5 Å²	118.5	56%	0.558	55%	0.553	S	S	*	*	H	α-helix	trans	-68.9	-45.6	175.3	-102.2	-177.3	-68.6	152	8.5	112.9	A54 Q55 L56 Q61 Q62	A54-R58 PolarHBondContact O-NE 2.87Å; A54-R58 PolarHBondContact O-NH2 3.25Å; A54-R58 VanDerWaalsContact O-NH2 3.1Å; Q55-R58 WeakPolarHBondContact O-CA 3.43Å; Q55-R58 WeakPolarHBondContact O-CB 3.45Å; Q55-R58 PolarHBondContact O-N 2.93Å; Q55-R58 VanDerWaalsContact O-N 3.09Å; L56-R58 VanDerWaalsContact C-N 3.27Å; L56-R58 PolarHBondContact O-N 2.95Å; R58-Q61 PolarHBondContact O-N 3.45Å; R58-Q62 WeakPolarHBondContact O-CB 3.33Å; R58-Q62 WeakPolarHBondContact O-CG 3.4Å; R58-Q62 PolarHBondContact O-N 3.37Å
59	I	49.2	Very low	47.6	Very low	78 Å²	78	119.1 Å²	119.1	40%	0.4	55%	0.547	S	S	.	.	H	α-helix	trans	-64.6	-47.9	178.1	-66.4	166	0	0	0	109.6	Q55 L56 Q61 Q62 Q63	Q55-I59 HydrophobicContact CG-CD1 4.41Å; Q55-I59 WeakPolarHBondContact O-CG1 3.31Å; Q55-I59 PolarHBondContact O-N 3.37Å; L56-I59 PolarHBondContact O-N 3.5Å; I59-Q61 VanDerWaalsContact C-N 3.32Å; I59-Q61 PolarHBondContact O-N 3.28Å; I59-Q62 PolarHBondContact O-N 2.76Å; I59-Q63 WeakPolarHBondContact O-CG 3.43Å; I59-Q63 PolarHBondContact O-N 2.73Å
60	R	50.8	Low	48.8	Very low	122 Å²	122	119 Å²	119	46%	0.46	53%	0.531	S	S	.	.	H	α-helix	trans	-56.7	-46	173.3	179.7	-177.7	176	132.3	11.7	111.3	L56 Q63 E64	L56-R60 WeakPolarHBondContact O-CB 3.48Å; L56-R60 PolarHBondContact O-N 3.36Å; R60-Q63 PolarHBondContact O-N 3.09Å; R60-E64 HydrophobicContact CG-CG 4.32Å; R60-E64 IonicContact CZ-OE1 3.54Å; R60-E64 IonicContact NE-OE1 2.69Å; R60-E64 PolarHBondContact NE-OE1 3.44Å; R60-E64 IonicContact NE-OE2 3.46Å; R60-E64 IonicContact NH2-OE1 3.52Å; R60-E64 PolarHBondContact NH2-OE1 2.89Å; R60-E64 WeakPolarHBondContact O-CB 3.49Å; R60-E64 WeakPolarHBondContact O-CG 3.47Å; R60-E64 PolarHBondContact O-N 3.28Å
61	Q	50.1	Low	49.4	Very low	109 Å²	109	113.1 Å²	113.1	51%	0.509	50%	0.501	S	S	.	.	H	α-helix	trans	-72.8	-27.3	-178.2	-169.8	164.8	14.7	0	0	112.7	E57 R58 I59 D65	E57-Q61 WeakPolarHBondContact O-CA 3.48Å; E57-Q61 WeakPolarHBondContact O-CB 3.24Å; E57-Q61 PolarHBondContact O-N 2.83Å; R58-Q61 PolarHBondContact O-N 3.45Å; I59-Q61 VanDerWaalsContact C-N 3.32Å; I59-Q61 PolarHBondContact O-N 3.28Å; Q61-D65 WeakPolarHBondContact O-CB 3.47Å; Q61-D65 PolarHBondContact O-N 3.17Å
62	Q	50.1	Low	49.8	Very low	134 Å²	134	105.9 Å²	105.9	63%	0.626	48%	0.478	S	S	*	.	H	α-helix	trans	-67.5	-41.1	167.7	-78	175.1	-40.8	0	0	111.7	R58 I59 M66	R58-Q62 WeakPolarHBondContact O-CB 3.33Å; R58-Q62 WeakPolarHBondContact O-CG 3.4Å; R58-Q62 PolarHBondContact O-N 3.37Å; I59-Q62 PolarHBondContact O-N 2.76Å; Q62-M66 WeakPolarHBondContact O-CB 3.45Å; Q62-M66 WeakPolarHBondContact O-CG 3.31Å; Q62-M66 PolarHBondContact O-N 3.06Å
63	Q	48.1	Very low	50.2	Low	128 Å²	128	104.6 Å²	104.6	60%	0.598	48%	0.478	S	S	*	.	H	α-helix	trans	-68.4	-42.8	174.9	-68.7	175.2	-4.6	0	0	111.8	I59 R60 M66 R67	I59-Q63 WeakPolarHBondContact O-CG 3.43Å; I59-Q63 PolarHBondContact O-N 2.73Å; R60-Q63 PolarHBondContact O-N 3.09Å; Q63-M66 PolarHBondContact O-N 3.34Å; Q63-R67 WeakPolarHBondContact O-CB 3.46Å; Q63-R67 PolarHBondContact O-N 3.42Å
64	E	55.6	Low	49.7	Very low	88 Å²	88	103.7 Å²	103.7	41%	0.411	48%	0.478	S	S	.	.	H	α-helix	trans	-69.1	-34.3	175.3	-75.2	-179.8	173.6	0	0	112.2	R60 R67 R68	R60-E64 HydrophobicContact CG-CG 4.32Å; R60-E64 IonicContact CZ-OE1 3.54Å; R60-E64 IonicContact NE-OE1 2.69Å; R60-E64 PolarHBondContact NE-OE1 3.44Å; R60-E64 IonicContact NE-OE2 3.46Å; R60-E64 IonicContact NH2-OE1 3.52Å; R60-E64 PolarHBondContact NH2-OE1 2.89Å; R60-E64 WeakPolarHBondContact O-CB 3.49Å; R60-E64 WeakPolarHBondContact O-CG 3.47Å; R60-E64 PolarHBondContact O-N 3.28Å; E64-R67 PolarHBondContact O-N 3.05Å; E64-R68 WeakPolarHBondContact O-CB 3.01Å; E64-R68 PolarHBondContact O-N 2.85Å
65	D	53.9	Low	49.5	Very low	66 Å²	66	107.5 Å²	107.5	35%	0.353	48%	0.48	S	S	.	.	H	α-helix	trans	-71.9	-36.4	171.4	-88.2	-5.9	0	0	0	111.9	Q61 R68 R69	Q61-D65 WeakPolarHBondContact O-CB 3.47Å; Q61-D65 PolarHBondContact O-N 3.17Å; D65-R68 PolarHBondContact O-N 2.75Å; D65-R69 WeakPolarHBondContact O-CB 3.43Å; D65-R69 VanDerWaalsContact O-CG 3.27Å; D65-R69 WeakPolarHBondContact O-CG 3.33Å; D65-R69 PolarHBondContact O-N 3.39Å
66	M	47.2	Very low	49.1	Very low	111 Å²	111	113 Å²	113	55%	0.547	50%	0.503	S	S	.	.	H	α-helix	trans	-62.3	-45.5	170.3	-83.1	-134.5	-75.5	0	0	111.2	Q62 Q63 R68 R70	Q62-M66 WeakPolarHBondContact O-CB 3.45Å; Q62-M66 WeakPolarHBondContact O-CG 3.31Å; Q62-M66 PolarHBondContact O-N 3.06Å; Q63-M66 PolarHBondContact O-N 3.34Å; M66-R68 VanDerWaalsContact C-N 3.35Å; M66-R70 VanDerWaalsContact O-CG 3.31Å; M66-R70 WeakPolarHBondContact O-CG 3.47Å; M66-R70 PolarHBondContact O-N 2.74Å; M66-R70 VanDerWaalsContact O-N 3.11Å
67	R	59.9	Low	48.8	Very low	140 Å²	140	114.7 Å²	114.7	53%	0.528	51%	0.509	S	S	.	.	H	α-helix	trans	-59.6	-45.1	172.3	176	-177.9	171.7	135.9	7.5	111.2	Q63 E64 R70 E71	Q63-R67 WeakPolarHBondContact O-CB 3.46Å; Q63-R67 PolarHBondContact O-N 3.42Å; E64-R67 PolarHBondContact O-N 3.05Å; R67-R70 CarbonylContact O-C 3.49Å; R67-R70 WeakPolarHBondContact O-CB 3.32Å; R67-R70 PolarHBondContact O-N 2.94Å; R67-E71 HydrophobicContact CG-CG 4.46Å; R67-E71 IonicContact CZ-OE1 2.76Å; R67-E71 IonicContact NE-OE1 3.96Å; R67-E71 PolarHBondContact NE-OE1 3.13Å; R67-E71 IonicContact NH2-OE1 3.51Å; R67-E71 PolarHBondContact NH2-OE1 3.4Å; R67-E71 VanDerWaalsContact NH2-OE1 3.11Å; R67-E71 PolarHBondContact O-N 3.38Å
68	R	55.1	Low	48	Very low	148 Å²	148	120.1 Å²	120.1	56%	0.558	53%	0.534	S	S	*	.	H	α-helix	trans	-68.9	-36.9	-177	-175.5	174.2	175.9	169.1	0.3	112.4	E64 D65 M66 E71 E72	E64-R68 WeakPolarHBondContact O-CB 3.01Å; E64-R68 PolarHBondContact O-N 2.85Å; D65-R68 PolarHBondContact O-N 2.75Å; M66-R68 VanDerWaalsContact C-N 3.35Å; R68-E71 PolarHBondContact O-N 3.13Å; R68-E72 HydrophobicContact CG-CG 4.29Å; R68-E72 IonicContact CZ-OE1 2.59Å; R68-E72 IonicContact NE-OE1 2.89Å; R68-E72 PolarHBondContact NE-OE1 3.33Å; R68-E72 IonicContact NH2-OE1 3.62Å; R68-E72 PolarHBondContact NH2-OE1 2.95Å; R68-E72 WeakPolarHBondContact O-CB 3.36Å; R68-E72 WeakPolarHBondContact O-CG 3.4Å; R68-E72 PolarHBondContact O-N 3.32Å
69	R	58.2	Low	47.5	Very low	171 Å²	171	121.4 Å²	121.4	65%	0.645	55%	0.551	S	S	*	*	H	α-helix	trans	-60.9	-47.1	169.5	-72.9	173.5	-170.8	-167.4	4.5	110.8	D65 E71 E72 E73	D65-R69 WeakPolarHBondContact O-CB 3.43Å; D65-R69 VanDerWaalsContact O-CG 3.27Å; D65-R69 WeakPolarHBondContact O-CG 3.33Å; D65-R69 PolarHBondContact O-N 3.39Å; R69-E71 VanDerWaalsContact C-N 3.33Å; R69-E71 PolarHBondContact O-N 2.8Å; R69-E72 PolarHBondContact O-N 2.88Å; R69-E73 WeakPolarHBondContact O-CB 3.21Å; R69-E73 VanDerWaalsContact O-CG 3.31Å; R69-E73 WeakPolarHBondContact O-CG 3.45Å; R69-E73 PolarHBondContact O-N 2.96Å
70	R	55.8	Low	46.6	Very low	119 Å²	119	121.4 Å²	121.4	45%	0.449	55%	0.552	S	S	.	*	H	α-helix	trans	-58.9	-41.4	173.3	-65.8	169.9	-172	-176	4.3	112.2	M66 R67 G74	M66-R70 VanDerWaalsContact O-CG 3.31Å; M66-R70 WeakPolarHBondContact O-CG 3.47Å; M66-R70 PolarHBondContact O-N 2.74Å; M66-R70 VanDerWaalsContact O-N 3.11Å; R67-R70 CarbonylContact O-C 3.49Å; R67-R70 WeakPolarHBondContact O-CB 3.32Å; R67-R70 PolarHBondContact O-N 2.94Å; R70-G74 PolarHBondContact O-N 2.89Å
71	E	49.5	Very low	46	Very low	69 Å²	69	119.7 Å²	119.7	32%	0.322	55%	0.552	S	S	.	*	H	α-helix	trans	-71.6	-36.1	177.8	-77	-167.3	-147.8	0	0	113.5	R67 R68 R69 G74 K75	R67-E71 HydrophobicContact CG-CG 4.46Å; R67-E71 IonicContact CZ-OE1 2.76Å; R67-E71 IonicContact NE-OE1 3.96Å; R67-E71 PolarHBondContact NE-OE1 3.13Å; R67-E71 IonicContact NH2-OE1 3.51Å; R67-E71 PolarHBondContact NH2-OE1 3.4Å; R67-E71 VanDerWaalsContact NH2-OE1 3.11Å; R67-E71 PolarHBondContact O-N 3.38Å; R68-E71 PolarHBondContact O-N 3.13Å; R69-E71 VanDerWaalsContact C-N 3.33Å; R69-E71 PolarHBondContact O-N 2.8Å; E71-G74 PolarHBondContact O-N 3.22Å; E71-K75 WeakPolarHBondContact O-CB 3.25Å; E71-K75 WeakPolarHBondContact O-CD 3.4Å; E71-K75 WeakPolarHBondContact O-CG 3.4Å; E71-K75 PolarHBondContact O-N 3.22Å; E71-K75 IonicContact OE2-NZ 3.61Å; E71-K75 PolarHBondContact OE2-NZ 3.06Å
72	E	46.2	Very low	45.4	Very low	97 Å²	97	117.3 Å²	117.3	45%	0.453	54%	0.544	S	S	.	.	H	α-helix	trans	-77.3	-27.6	177.4	-72.3	-179.8	-172.8	0	0	112	R68 R69	R68-E72 HydrophobicContact CG-CG 4.29Å; R68-E72 IonicContact CZ-OE1 2.59Å; R68-E72 IonicContact NE-OE1 2.89Å; R68-E72 PolarHBondContact NE-OE1 3.33Å; R68-E72 IonicContact NH2-OE1 3.62Å; R68-E72 PolarHBondContact NH2-OE1 2.95Å; R68-E72 WeakPolarHBondContact O-CB 3.36Å; R68-E72 WeakPolarHBondContact O-CG 3.4Å; R68-E72 PolarHBondContact O-N 3.32Å; R69-E72 PolarHBondContact O-N 2.88Å
73	E	48.3	Very low	44.8	Very low	121 Å²	121	114 Å²	114	57%	0.565	54%	0.541	S	S	*	.	H	α-helix	trans	-66.6	-44.7	163.7	-74.7	173.5	-170.2	0	0	111.5	R69 K75 K76	R69-E73 WeakPolarHBondContact O-CB 3.21Å; R69-E73 VanDerWaalsContact O-CG 3.31Å; R69-E73 WeakPolarHBondContact O-CG 3.45Å; R69-E73 PolarHBondContact O-N 2.96Å; E73-K75 PolarHBondContact O-N 3.03Å; E73-K76 PolarHBondContact O-N 3.4Å
74	G	39.2	Very low	44.6	Very low	35 Å²	35	109.2 Å²	109.2	36%	0.361	52%	0.521	S	S	.	.	H	α-helix	trans	-66.3	-32.4	176.8	0	0	0	0	0	114.3	R70 E71 K76 Q77	R70-G74 PolarHBondContact O-N 2.89Å; E71-G74 PolarHBondContact O-N 3.22Å; G74-K76 PolarHBondContact O-N 2.99Å; G74-Q77 VanDerWaalsContact O-CB 3.28Å; G74-Q77 WeakPolarHBondContact O-CB 3.48Å; G74-Q77 PolarHBondContact O-N 3.03Å
75	K	37.8	Very low	43.9	Very low	152 Å²	152	109.2 Å²	109.2	66%	0.661	52%	0.522	S	S	*	.	T	Hydrogen-bonded Turn	trans	-77.8	-0.7	-179.3	-74.1	161.9	-167.9	161.7	0	114.5	E71 E73	E71-K75 WeakPolarHBondContact O-CB 3.25Å; E71-K75 WeakPolarHBondContact O-CD 3.4Å; E71-K75 WeakPolarHBondContact O-CG 3.4Å; E71-K75 PolarHBondContact O-N 3.22Å; E71-K75 IonicContact OE2-NZ 3.61Å; E71-K75 PolarHBondContact OE2-NZ 3.06Å; E73-K75 PolarHBondContact O-N 3.03Å
76	K	35.2	Very low	43.4	Very low	187 Å²	187	109.1 Å²	109.1	81%	0.813	52%	0.517	S	S	*	.	T	Hydrogen-bonded Turn	trans	-101.8	12.2	172.2	-78	-177.1	175.1	174.5	0	114.1	E73 G74 E78	E73-K76 PolarHBondContact O-N 3.4Å; G74-K76 PolarHBondContact O-N 2.99Å; K76-E78 VanDerWaalsContact C-N 3.34Å; K76-E78 PolarHBondContact O-N 3.24Å
77	Q	35.7	Very low	42.9	Very low	117 Å²	117	105.2 Å²	105.2	55%	0.547	50%	0.498	S	S	.	.			trans	-83.8	64.5	-165.1	-159.5	164.6	15.9	0	0	114.7	G74 L79	G74-Q77 VanDerWaalsContact O-CB 3.28Å; G74-Q77 WeakPolarHBondContact O-CB 3.48Å; G74-Q77 PolarHBondContact O-N 3.03Å; Q77-L79 PolarHBondContact O-N 3.32Å
78	E	32.9	Very low	42	Very low	183 Å²	183	101.7 Å²	101.7	86%	0.855	49%	0.486	S	S	*	.	S	Bend	trans	-73	104.3	155.6	-87.1	-166.1	125.6	0	0	109.8	K76 D80	K76-E78 VanDerWaalsContact C-N 3.34Å; K76-E78 PolarHBondContact O-N 3.24Å; E78-D80 VanDerWaalsContact C-N 3.28Å; E78-D80 PolarHBondContact O-N 3.47Å
79	L	38.9	Very low	41.6	Very low	174 Å²	174	99.5 Å²	99.5	91%	0.911	48%	0.481	S	S	*	.	S	Bend	trans	50.9	26.7	157.6	-65.3	173.2	0	0	0	118.6	Q77	Q77-L79 PolarHBondContact O-N 3.32Å
80	D	30.2	Very low	40.7	Very low	78 Å²	78	95 Å²	95	42%	0.417	47%	0.469	S	S	.	.			trans	-87.7	136	172.3	-171.5	23.7	0	0	0	113.2	E78 T82	E78-D80 VanDerWaalsContact C-N 3.28Å; E78-D80 PolarHBondContact O-N 3.47Å; D80-T82 VanDerWaalsContact C-N 3.33Å; D80-T82 PolarHBondContact O-N 2.92Å; D80-T82 PolarHBondContact OD1-N 2.66Å; D80-T82 WeakPolarHBondContact OD2-CB 3.24Å; D80-T82 WeakPolarHBondContact OD2-CG2 3.25Å; D80-T82 PolarHBondContact OD2-OG1 3.49Å
81	L	37.8	Very low	39.8	Very low	87 Å²	87	93.5 Å²	93.5	46%	0.455	48%	0.482	S	S	.	.	S	Bend	trans	-88.2	5.6	-175.5	-75.7	158.3	0	0	0	113.5	A83 Q602 I625	L81-A83 PolarHBondContact O-N 3.48Å; L81-A83 VanDerWaalsContact O-N 3.09Å; L81-Q602 HydrophobicContact CD1-CB 3.67Å; L81-Q602 VanDerWaalsContact CD1-N 3.29Å; L81-I625 HydrophobicContact CD1-CD1 3.99Å; L81-I625 HydrophobicContact CD2-CG2 3.85Å
82	T	38.5	Very low	39	Very low	58 Å²	58	96.5 Å²	96.5	36%	0.356	50%	0.496	S	S	.	.			trans	-81.4	35.1	175	67.8	0	0	0	0	113.3	D80 S84 K88	D80-T82 VanDerWaalsContact C-N 3.33Å; D80-T82 PolarHBondContact O-N 2.92Å; D80-T82 PolarHBondContact OD1-N 2.66Å; D80-T82 WeakPolarHBondContact OD2-CB 3.24Å; D80-T82 WeakPolarHBondContact OD2-CG2 3.25Å; D80-T82 PolarHBondContact OD2-OG1 3.49Å; T82-S84 PolarHBondContact O-N 2.83Å; T82-K88 WeakPolarHBondContact O-CD 3.26Å; T82-K88 WeakPolarHBondContact O-CE 3.37Å; T82-K88 PolarHBondContact O-NZ 3.1Å; T82-K88 WeakPolarHBondContact OG1-CE 3.17Å; T82-K88 PolarHBondContact OG1-NZ 2.7Å
83	A	36.3	Very low	38.5	Very low	66 Å²	66	96.7 Å²	96.7	55%	0.545	50%	0.499	S	S	.	.			trans	-76.2	-17.7	-171.6	0	0	0	0	0	114.6	L81 M85	L81-A83 PolarHBondContact O-N 3.48Å; L81-A83 VanDerWaalsContact O-N 3.09Å; A83-M85 PolarHBondContact O-N 3.07Å
84	S	44.3	Very low	37.7	Very low	26 Å²	26	95.6 Å²	95.6	18%	0.182	50%	0.503	C	S	.	.			trans	-72.9	107	173.2	179.6	0	0	0	0	110.1	T82 R86 L87 K88 E632	T82-S84 PolarHBondContact O-N 2.83Å; S84-R86 PolarHBondContact O-N 3.23Å; S84-L87 PolarHBondContact O-N 3.29Å; S84-L87 PolarHBondContact OG-N 3.37Å; S84-K88 PolarHBondContact O-N 2.92Å; S84-E632 WeakPolarHBondContact CB-OE1 3.44Å; S84-E632 PolarHBondContact OG-OE1 3.16Å
85	M	41.4	Very low	37.3	Very low	88 Å²	88	99.6 Å²	99.6	43%	0.433	52%	0.522	S	S	.	.	H	α-helix	trans	-54.9	-33.4	175.5	-71.9	-75	-79.6	0	0	112.1	A83 K88 K89	A83-M85 PolarHBondContact O-N 3.07Å; M85-K88 PolarHBondContact O-N 3.06Å; M85-K89 PolarHBondContact O-N 3.27Å
86	R	42.6	Very low	37	Very low	64 Å²	64	101.6 Å²	101.6	24%	0.242	53%	0.531	C	S	.	.	H	α-helix	trans	-65.4	-45.4	175.3	-172.9	175.1	174.8	-161.5	-2.1	111.4	S84 L90 G636 F639	S84-R86 PolarHBondContact O-N 3.23Å; R86-L90 HydrophobicContact CG-CD1 4.23Å; R86-L90 WeakPolarHBondContact O-CB 3.27Å; R86-L90 VanDerWaalsContact O-CG 3.29Å; R86-L90 WeakPolarHBondContact O-CG 3.31Å; R86-L90 PolarHBondContact O-N 2.99Å; R86-G636 PolarHBondContact NH1-O 3.32Å; R86-F639 PolarHBondContact NH2-O 2.87Å; R86-F639 VanDerWaalsContact NH2-O 3.12Å
87	L	37.8	Very low	36.7	Very low	30 Å²	30	98.5 Å²	98.5	16%	0.157	53%	0.528	C	S	.	.	H	α-helix	trans	-67.3	-36.8	174.8	-65.8	179.7	0	0	0	112.4	S84 L90 A91 A642 V644	S84-L87 PolarHBondContact O-N 3.29Å; S84-L87 PolarHBondContact OG-N 3.37Å; L87-L90 PolarHBondContact O-N 3.02Å; L87-A91 VanDerWaalsContact O-CB 3.32Å; L87-A91 WeakPolarHBondContact O-CB 3.2Å; L87-A91 PolarHBondContact O-N 3.14Å; L87-A642 HydrophobicContact CD2-CB 3.66Å; L87-V644 HydrophobicContact CD1-CG2 4.08Å; L87-V644 HydrophobicContact CD2-CG2 4.04Å; L87-V644 HydrophobicContact CG-CG2 4.46Å
88	K	41.1	Very low	36.5	Very low	65 Å²	65	95.6 Å²	95.6	28%	0.283	53%	0.53	S	S	.	.	H	α-helix	trans	-61.2	-51.6	172.9	-93.7	177.9	168.2	141.2	0	112.1	T82 S84 M85 L90 A91 Q92	T82-K88 WeakPolarHBondContact O-CD 3.26Å; T82-K88 WeakPolarHBondContact O-CE 3.37Å; T82-K88 PolarHBondContact O-NZ 3.1Å; T82-K88 WeakPolarHBondContact OG1-CE 3.17Å; T82-K88 PolarHBondContact OG1-NZ 2.7Å; S84-K88 PolarHBondContact O-N 2.92Å; M85-K88 PolarHBondContact O-N 3.06Å; K88-L90 PolarHBondContact O-N 2.89Å; K88-A91 PolarHBondContact O-N 3.12Å; K88-Q92 VanDerWaalsContact O-CB 3.26Å; K88-Q92 WeakPolarHBondContact O-CB 3.3Å; K88-Q92 VanDerWaalsContact O-CG 3.24Å; K88-Q92 WeakPolarHBondContact O-CG 3.4Å; K88-Q92 PolarHBondContact O-N 2.87Å
89	K	46.1	Very low	36.4	Very low	103 Å²	103	94.9 Å²	94.9	45%	0.448	53%	0.53	S	S	.	.	H	α-helix	trans	-53.7	-52.4	173.2	-88.2	179.3	166.4	177.6	0	111.1	M85 A91 Q92 I93	M85-K89 PolarHBondContact O-N 3.27Å; K89-A91 VanDerWaalsContact C-N 3.29Å; K89-A91 PolarHBondContact O-N 2.91Å; K89-Q92 PolarHBondContact O-N 3.42Å; K89-I93 WeakPolarHBondContact O-CG1 3.29Å; K89-I93 PolarHBondContact O-N 3.19Å
90	L	38.8	Very low	35.9	Very low	76 Å²	76	93.4 Å²	93.4	40%	0.398	52%	0.523	S	S	.	.	H	α-helix	trans	-60.1	-34.5	-178.7	-73.6	169	0	0	0	113.5	R86 L87 K88	R86-L90 HydrophobicContact CG-CD1 4.23Å; R86-L90 WeakPolarHBondContact O-CB 3.27Å; R86-L90 VanDerWaalsContact O-CG 3.29Å; R86-L90 WeakPolarHBondContact O-CG 3.31Å; R86-L90 PolarHBondContact O-N 2.99Å; L87-L90 PolarHBondContact O-N 3.02Å; K88-L90 PolarHBondContact O-N 2.89Å
91	A	37.7	Very low	36	Very low	87 Å²	87	95.2 Å²	95.2	72%	0.719	53%	0.533	S	S	*	.	H	α-helix	trans	-83.8	-11.4	176.4	0	0	0	0	0	114.5	L87 K88 K89	L87-A91 VanDerWaalsContact O-CB 3.32Å; L87-A91 WeakPolarHBondContact O-CB 3.2Å; L87-A91 PolarHBondContact O-N 3.14Å; K88-A91 PolarHBondContact O-N 3.12Å; K89-A91 VanDerWaalsContact C-N 3.29Å; K89-A91 PolarHBondContact O-N 2.91Å
92	Q	32.4	Very low	35.9	Very low	133 Å²	133	95.7 Å²	95.7	62%	0.621	54%	0.541	S	S	*	.	H	α-helix	trans	-110.8	-9.7	-177.3	-72.4	178.5	-7.9	0	0	114.1	K88 K89 P94	K88-Q92 VanDerWaalsContact O-CB 3.26Å; K88-Q92 WeakPolarHBondContact O-CB 3.3Å; K88-Q92 VanDerWaalsContact O-CG 3.24Å; K88-Q92 WeakPolarHBondContact O-CG 3.4Å; K88-Q92 PolarHBondContact O-N 2.87Å; K89-Q92 PolarHBondContact O-N 3.42Å; Q92-P94 WeakPolarHBondContact O-CD 3.43Å; Q92-P94 VanDerWaalsContact O-N 3.09Å
93	I	35	Very low	35.8	Very low	100 Å²	100	98.9 Å²	98.9	51%	0.513	55%	0.554	S	S	.	*			trans	-59.7	110.8	167.9	-74.6	161.1	0	0	0	107.5	K89	K89-I93 WeakPolarHBondContact O-CG1 3.29Å; K89-I93 PolarHBondContact O-N 3.19Å
94	P	31.8	Very low	35.8	Very low	99 Å²	99	104.8 Å²	104.8	64%	0.643	57%	0.568	S	S	*	*			trans	-60.5	153.3	163.1	31.1	-34.8	0	0	0	107.2	Q92 K96	Q92-P94 WeakPolarHBondContact O-CD 3.43Å; Q92-P94 VanDerWaalsContact O-N 3.09Å; P94-K96 PolarHBondContact O-N 3.16Å
95	P	31.2	Very low	35	Very low	119 Å²	119	111 Å²	111	77%	0.773	60%	0.599	S	S	*	*			trans	-52.8	113.7	177.8	23.6	-33.6	0	0	0	108.7	T97	P95-T97 PolarHBondContact O-N 2.92Å
96	K	31	Very low	34.8	Very low	193 Å²	193	112.8 Å²	112.8	84%	0.839	62%	0.615	S	S	*	*			trans	-60.3	101.2	163	-79.2	-164.1	174.9	-168.8	0	104.5	P94 G98	P94-K96 PolarHBondContact O-N 3.16Å; K96-G98 PolarHBondContact O-N 2.99Å
97	T	29.8	Very low	34.7	Very low	123 Å²	123	118.6 Å²	118.6	76%	0.755	65%	0.645	S	S	*	*			trans	-47.9	138	160.7	42.6	0	0	0	0	106.8	P95 I99	P95-T97 PolarHBondContact O-N 2.92Å; T97-I99 PolarHBondContact O-N 2.7Å
98	G	30.7	Very low	34.4	Very low	56 Å²	56	126.5 Å²	126.5	58%	0.577	68%	0.681	S	S	*	*			trans	-53	145.8	176.5	0	0	0	0	0	109.6	K96 D100	K96-G98 PolarHBondContact O-N 2.99Å; G98-D100 PolarHBondContact O-N 3.12Å
99	I	32	Very low	34.1	Very low	168 Å²	168	127 Å²	127	86%	0.862	71%	0.705	S	S	*	*			trans	-72.5	90.2	157.8	-60	175.6	0	0	0	104.3	T97 N101	T97-I99 PolarHBondContact O-N 2.7Å; I99-N101 PolarHBondContact O-N 3.3Å
100	D	28.3	Very low	33.2	Very low	142 Å²	142	128.5 Å²	128.5	76%	0.759	72%	0.717	S	S	*	*			trans	-56.4	121.7	165	-70.6	-44.7	0	0	0	106.7	G98 P102	G98-D100 PolarHBondContact O-N 3.12Å; D100-P102 WeakPolarHBondContact O-CD 3.31Å; D100-P102 VanDerWaalsContact O-N 3.11Å
101	N	32.3	Very low	32.8	Very low	117 Å²	117	131.8 Å²	131.8	63%	0.626	73%	0.733	S	S	*	*			trans	-71.7	103.7	-175.4	-178.5	3.1	0	0	0	108.6	I99 I103	I99-N101 PolarHBondContact O-N 3.3Å; N101-I103 PolarHBondContact O-N 2.95Å
102	P	35.6	Very low	32.4	Very low	97 Å²	97	135.3 Å²	135.3	63%	0.63	74%	0.739	S	S	*	*	T	Hydrogen-bonded Turn	trans	-82.5	22.9	-156.8	36.2	-37.3	0	0	0	113.1	D100	D100-P102 WeakPolarHBondContact O-CD 3.31Å; D100-P102 VanDerWaalsContact O-N 3.11Å
103	I	36.1	Very low	32.1	Very low	124 Å²	124	137 Å²	137	64%	0.636	75%	0.746	S	S	*	*	T	Hydrogen-bonded Turn	trans	-95.4	-21.4	-175.8	-57.5	178.6	0	0	0	111	N101	N101-I103 PolarHBondContact O-N 2.95Å
104	F	34.8	Very low	31.8	Very low	190 Å²	190	136.6 Å²	136.6	83%	0.833	75%	0.753	S	S	*	*	S	Bend	trans	-137.3	67.4	-178	-78.6	-80.2	0	0	0	113.1
105	D	28.1	Very low	32	Very low	157 Å²	157	137 Å²	137	84%	0.84	76%	0.756	S	S	*	*	S	Bend	trans	-142.9	153.5	141.9	-129.9	-31.8	0	0	0	110.2
106	T	37.8	Very low	32.2	Very low	126 Å²	126	140.3 Å²	140.3	77%	0.773	76%	0.76	S	S	*	*			trans	-85.4	143.1	-163.9	27.9	0	0	0	0	115.5
107	E	40.3	Very low	32.5	Very low	186 Å²	186	135.8 Å²	135.8	87%	0.869	75%	0.752	S	S	*	*	S	Bend	trans	61.7	62.3	160.3	-61.2	-168.6	162.2	0	0	118.3
108	E	31.9	Very low	33.1	Very low	195 Å²	195	135.2 Å²	135.2	91%	0.911	75%	0.748	S	S	*	*			trans	-156.3	146.7	135.6	-116	169.1	-146.5	0	0	112.2	I110	E108-I110 PolarHBondContact O-N 2.98Å
109	G	34.3	Very low	34.2	Very low	75 Å²	75	135.4 Å²	135.4	77%	0.773	74%	0.738	S	S	*	*			trans	-88.8	95.4	-163	0	0	0	0	0	115.3	I111	G109-I111 PolarHBondContact O-N 3.42Å
110	I	27.5	Very low	35.4	Very low	136 Å²	136	136.7 Å²	136.7	70%	0.697	74%	0.738	S	S	*	*			trans	-79.3	112.9	173.2	-58.4	178.6	0	0	0	110.7	E108	E108-I110 PolarHBondContact O-N 2.98Å
111	I	29.4	Very low	37.2	Very low	144 Å²	144	132.2 Å²	132.2	74%	0.738	72%	0.715	S	S	*	*			trans	-85.8	111.6	171.7	-60	177.1	0	0	0	109.2	G109 E113	G109-I111 PolarHBondContact O-N 3.42Å; I111-E113 HydrophobicContact CG2-CG 4.27Å; I111-E113 PolarHBondContact O-N 3.48Å
112	L	29.8	Very low	39.2	Very low	162 Å²	162	131.2 Å²	131.2	85%	0.848	71%	0.71	S	S	*	*			trans	-77.2	104.9	165.1	-76	164.7	0	0	0	109.3	S114	L112-S114 PolarHBondContact O-N 3.14Å
113	E	26.2	Very low	41.5	Very low	167 Å²	167	132.6 Å²	132.6	78%	0.78	71%	0.707	S	S	*	*			trans	-76.8	99.5	173.3	-70	-160.2	131.7	0	0	111.2	I111	I111-E113 HydrophobicContact CG2-CG 4.27Å; I111-E113 PolarHBondContact O-N 3.48Å
114	S	28	Very low	43.7	Very low	92 Å²	92	127.3 Å²	127.3	64%	0.643	68%	0.681	S	S	*	*			trans	-79.6	142.6	159.2	57.7	0	0	0	0	110.2	L112 H116	L112-S114 PolarHBondContact O-N 3.14Å; S114-H116 PolarHBondContact O-N 3.07Å
115	P	37.3	Very low	45.9	Very low	109 Å²	109	125.4 Å²	125.4	71%	0.708	68%	0.675	S	S	*	*	S	Bend	trans	-66.4	131	176.5	27.4	-33.6	0	0	0	110.8
116	H	34.9	Very low	48.6	Very low	188 Å²	188	122.7 Å²	122.7	87%	0.87	66%	0.657	S	S	*	*	S	Bend	trans	71.6	68.1	171.9	-46.8	-67.1	0	0	0	118.1	S114	S114-H116 PolarHBondContact O-N 3.07Å
117	C	36.8	Very low	50.8	Low	98 Å²	98	119 Å²	119	66%	0.662	63%	0.632	S	S	*	*				180	85.2	107.5	-163.6	0	0	0	0	111.7	V119	C117-V119 PolarHBondContact O-N 3Å; C117-V119 VanDerWaalsContact O-N 3.08Å
118	T	43	Very low	52.9	Low	111 Å²	111	111.3 Å²	111.3	68%	0.681	60%	0.597	S	S	*	*			trans	-76.6	96.3	172	39	0	0	0	0	110.5	K120	T118-K120 PolarHBondContact O-N 3.07Å
119	V	53.2	Low	55.5	Low	59 Å²	59	106.4 Å²	106.4	36%	0.358	58%	0.58	S	S	.	*			trans	-63.1	105.7	172.7	178.6	0	0	0	0	109	C117 T121 T170 N174	C117-V119 PolarHBondContact O-N 3Å; C117-V119 VanDerWaalsContact O-N 3.08Å; V119-T121 HydrophobicContact CG1-CG2 4.48Å; V119-T121 PolarHBondContact O-N 2.68Å; V119-T170 HydrophobicContact CG1-CG2 4.31Å; V119-N174 HydrophobicContact CG2-CB 3.73Å
120	K	57.3	Low	58	Low	196 Å²	196	105.5 Å²	105.5	85%	0.852	56%	0.563	S	S	*	*			trans	-72.1	89.4	177.6	-70.4	-171.7	173.7	-169.9	0	110.9	T118	T118-K120 PolarHBondContact O-N 3.07Å
121	T	66.3	Low	60.8	Low	47 Å²	47	100 Å²	100	29%	0.288	54%	0.535	S	S	.	.	P	Polyproline II helix	trans	-74.3	124.4	166.1	52.5	0	0	0	0	109.8	V119 N167 T170 V171	V119-T121 HydrophobicContact CG1-CG2 4.48Å; V119-T121 PolarHBondContact O-N 2.68Å; T121-N167 HydrophobicContact CG2-CB 4.24Å; T121-T170 HydrophobicContact CG2-CG2 4.29Å; T121-V171 HydrophobicContact CG2-CG2 3.94Å
122	L	75.1	Confident	63.4	Low	97 Å²	97	98.2 Å²	98.2	51%	0.508	52%	0.521	S	S	.	.	P	Polyproline II helix	trans	-66.3	144	172.2	-80.4	115	0	0	0	111.3	E126 F163 N167	L122-E126 WeakPolarHBondContact CA-OE2 3.41Å; L122-E126 HydrophobicContact CD2-CB 4.32Å; L122-F163 WeakPolarHBondContact O-CE1 3.34Å; L122-N167 PolarHBondContact O-ND2 3.33Å
123	E	82.7	Confident	66.1	Low	125 Å²	125	96.8 Å²	96.8	58%	0.584	51%	0.51	S	S	*	.	P	Polyproline II helix	trans	-84.8	158.6	171.5	-62.8	-162.9	164.1	0	0	112.9	E125 E126 L127	E123-E125 PolarHBondContact O-N 2.97Å; E123-E126 HydrophobicContact CB-CG 4.22Å; E123-E126 PolarHBondContact N-OE2 3.08Å; E123-E126 PolarHBondContact O-N 2.7Å; E123-L127 PolarHBondContact O-N 2.97Å
124	V	82.9	Confident	68.8	Low	14 Å²	14	92.4 Å²	92.4	9%	0.085	49%	0.491	C	S	.	.	H	α-helix	trans	-59.2	-36.3	175.9	177.5	0	0	0	0	111.2	L127 L128 V154 Q160 F163	V124-L127 PolarHBondContact O-N 3.22Å; V124-L128 HydrophobicContact CG1-CD1 3.99Å; V124-L128 HydrophobicContact CG1-CG 4.44Å; V124-L128 WeakPolarHBondContact O-CB 3.47Å; V124-L128 VanDerWaalsContact O-CG 3.31Å; V124-L128 WeakPolarHBondContact O-CG 3.32Å; V124-L128 PolarHBondContact O-N 3.32Å; V124-V154 HydrophobicContact CG1-CG1 4.3Å; V124-Q160 HydrophobicContact CG1-CG 3.87Å; V124-F163 HydrophobicContact CG2-CD1 3.6Å; V124-F163 HydrophobicContact CG2-CE1 4.16Å; V124-F163 HydrophobicContact CG2-CG 4.5Å
125	E	82.1	Confident	71.5	Confident	149 Å²	149	90.6 Å²	90.6	70%	0.696	47%	0.473	S	S	*	.	H	α-helix	trans	-74	-35.6	-179.3	-59.5	-163.4	-173.6	0	0	112.5	E123 T129	E123-E125 PolarHBondContact O-N 2.97Å; E125-T129 VanDerWaalsContact O-CB 3.25Å; E125-T129 WeakPolarHBondContact O-CB 3.31Å; E125-T129 PolarHBondContact O-N 3.44Å; E125-T129 PolarHBondContact O-OG1 3.5Å
126	E	83.6	Confident	73.6	Confident	100 Å²	100	93 Å²	93	47%	0.467	47%	0.474	S	S	.	.	H	α-helix	trans	-64.5	-43.2	170.5	-64.4	-176.2	125.7	0	0	111.5	L122 E123 T129 S130	L122-E126 WeakPolarHBondContact CA-OE2 3.41Å; L122-E126 HydrophobicContact CD2-CB 4.32Å; E123-E126 HydrophobicContact CB-CG 4.22Å; E123-E126 PolarHBondContact N-OE2 3.08Å; E123-E126 PolarHBondContact O-N 2.7Å; E126-T129 PolarHBondContact O-N 3.33Å; E126-S130 WeakPolarHBondContact O-CB 3.29Å; E126-S130 PolarHBondContact O-N 2.96Å; E126-S130 PolarHBondContact O-OG 2.91Å
127	L	84.2	Confident	76.1	Confident	48 Å²	48	88.4 Å²	88.4	25%	0.251	46%	0.459	S	S	.	.	H	α-helix	trans	-63	-47.3	176.4	-179.6	60.7	0	0	0	111.4	E123 V124 T129 S130 L131 V154 F163	E123-L127 PolarHBondContact O-N 2.97Å; V124-L127 PolarHBondContact O-N 3.22Å; L127-T129 VanDerWaalsContact C-N 3.32Å; L127-T129 PolarHBondContact O-N 2.85Å; L127-S130 PolarHBondContact O-N 2.66Å; L127-L131 HydrophobicContact CD1-CD1 4.23Å; L127-L131 HydrophobicContact CD1-CG 4.41Å; L127-L131 HydrophobicContact CG-CD1 4.09Å; L127-L131 WeakPolarHBondContact O-CB 3.39Å; L127-L131 VanDerWaalsContact O-CG 3.3Å; L127-L131 WeakPolarHBondContact O-CG 3.32Å; L127-L131 PolarHBondContact O-N 2.93Å; L127-V154 HydrophobicContact CD2-CG1 3.93Å; L127-V154 HydrophobicContact CD2-CG2 4.06Å; L127-V154 HydrophobicContact CG-CG1 4.27Å; L127-F163 HydrophobicContact CD2-CZ 4.5Å
128	L	85.6	Confident	78.4	Confident	25 Å²	25	87 Å²	87	13%	0.131	44%	0.444	C	S	.	.	H	α-helix	trans	-62.6	-37.1	175.4	-75.9	171	0	0	0	112.4	V124 K132 L151 V154 Q155	V124-L128 HydrophobicContact CG1-CD1 3.99Å; V124-L128 HydrophobicContact CG1-CG 4.44Å; V124-L128 WeakPolarHBondContact O-CB 3.47Å; V124-L128 VanDerWaalsContact O-CG 3.31Å; V124-L128 WeakPolarHBondContact O-CG 3.32Å; V124-L128 PolarHBondContact O-N 3.32Å; L128-K132 WeakPolarHBondContact O-CB 3.41Å; L128-K132 VanDerWaalsContact O-CG 3.25Å; L128-K132 WeakPolarHBondContact O-CG 3.44Å; L128-K132 PolarHBondContact O-N 3.21Å; L128-L151 HydrophobicContact CD2-CD2 4.01Å; L128-V154 HydrophobicContact CD2-CB 3.98Å; L128-V154 HydrophobicContact CD2-CG1 3.62Å; L128-V154 HydrophobicContact CG-CG1 3.76Å; L128-Q155 HydrophobicContact CD2-CG 4.06Å
129	T	85.3	Confident	80.1	Confident	92 Å²	92	87.7 Å²	87.7	56%	0.564	45%	0.448	S	S	*	.	H	α-helix	trans	-69.7	-40	177.6	-60.6	0	0	0	0	111.1	E125 E126 L127 K132 H133	E125-T129 VanDerWaalsContact O-CB 3.25Å; E125-T129 WeakPolarHBondContact O-CB 3.31Å; E125-T129 PolarHBondContact O-N 3.44Å; E125-T129 PolarHBondContact O-OG1 3.5Å; E126-T129 PolarHBondContact O-N 3.33Å; L127-T129 VanDerWaalsContact C-N 3.32Å; L127-T129 PolarHBondContact O-N 2.85Å; T129-K132 PolarHBondContact O-N 3.32Å; T129-H133 WeakPolarHBondContact O-CB 3.23Å; T129-H133 PolarHBondContact O-N 3.08Å
130	S	86.3	Confident	81.9	Confident	57 Å²	57	88.2 Å²	88.2	40%	0.399	45%	0.449	S	S	.	.	H	α-helix	trans	-65.2	-44.6	175.6	-59.1	0	0	0	0	111.8	E126 L127 H133 I134	E126-S130 WeakPolarHBondContact O-CB 3.29Å; E126-S130 PolarHBondContact O-N 2.96Å; E126-S130 PolarHBondContact O-OG 2.91Å; L127-S130 PolarHBondContact O-N 2.66Å; S130-H133 WeakPolarHBondContact O-CB 3.49Å; S130-H133 PolarHBondContact O-N 3.4Å; S130-I134 VanDerWaalsContact O-CG1 3.3Å; S130-I134 WeakPolarHBondContact O-CG1 3.37Å; S130-I134 PolarHBondContact O-N 2.95Å
131	L	86.7	Confident	83.1	Confident	21 Å²	21	83.8 Å²	83.8	11%	0.11	44%	0.44	C	S	.	.	H	α-helix	trans	-62.8	-42.2	175.6	-73	166.9	0	0	0	112.3	L127 H133 I134 Q135 I150 L151 V154	L127-L131 HydrophobicContact CD1-CD1 4.23Å; L127-L131 HydrophobicContact CD1-CG 4.41Å; L127-L131 HydrophobicContact CG-CD1 4.09Å; L127-L131 WeakPolarHBondContact O-CB 3.39Å; L127-L131 VanDerWaalsContact O-CG 3.3Å; L127-L131 WeakPolarHBondContact O-CG 3.32Å; L127-L131 PolarHBondContact O-N 2.93Å; L131-H133 VanDerWaalsContact C-N 3.34Å; L131-I134 PolarHBondContact O-N 3.28Å; L131-Q135 WeakPolarHBondContact O-CB 3.43Å; L131-Q135 PolarHBondContact O-N 3.07Å; L131-I150 HydrophobicContact CD1-CG2 3.86Å; L131-I150 HydrophobicContact CD2-CG2 3.76Å; L131-I150 HydrophobicContact CG-CG2 4.49Å; L131-L151 HydrophobicContact CB-CD2 3.65Å; L131-L151 HydrophobicContact CB-CG 4.25Å; L131-L151 HydrophobicContact CD1-CD2 4.24Å; L131-V154 HydrophobicContact CD1-CB 4.38Å; L131-V154 HydrophobicContact CD1-CG2 3.95Å
132	K	84.5	Confident	84.2	Confident	105 Å²	105	88.2 Å²	88.2	46%	0.457	46%	0.458	S	S	.	.	H	α-helix	trans	-63.1	-38.4	172.6	-73.6	169	-176.9	173.7	0	112.4	L128 T129 Q135 H136 L151	L128-K132 WeakPolarHBondContact O-CB 3.41Å; L128-K132 VanDerWaalsContact O-CG 3.25Å; L128-K132 WeakPolarHBondContact O-CG 3.44Å; L128-K132 PolarHBondContact O-N 3.21Å; T129-K132 PolarHBondContact O-N 3.32Å; K132-Q135 WeakPolarHBondContact O-CB 3.49Å; K132-Q135 PolarHBondContact O-N 3.35Å; K132-H136 PolarHBondContact O-CD2 3.29Å; K132-H136 PolarHBondContact O-N 2.93Å; K132-L151 HydrophobicContact CG-CD2 4.39Å
133	H	86.3	Confident	84.7	Confident	132 Å²	132	85 Å²	85	61%	0.611	44%	0.444	S	S	*	.	H	α-helix	trans	-63.9	-45.6	175.2	-174.8	68.6	0	0	0	111.4	T129 S130 L131 Q135 H136 V137	T129-H133 WeakPolarHBondContact O-CB 3.23Å; T129-H133 PolarHBondContact O-N 3.08Å; S130-H133 WeakPolarHBondContact O-CB 3.49Å; S130-H133 PolarHBondContact O-N 3.4Å; L131-H133 VanDerWaalsContact C-N 3.34Å; H133-Q135 VanDerWaalsContact C-N 3.3Å; H133-Q135 PolarHBondContact O-N 2.94Å; H133-H136 PolarHBondContact O-N 3.38Å; H133-H136 VanDerWaalsContact O-N 3.11Å; H133-V137 WeakPolarHBondContact O-CG2 3.06Å; H133-V137 PolarHBondContact O-N 3.04Å
134	I	84	Confident	84.8	Confident	75 Å²	75	81.9 Å²	81.9	39%	0.385	43%	0.429	S	S	.	.	H	α-helix	trans	-62.1	-38.2	175.3	-64.9	164.3	0	0	0	110.9	S130 L131 H136 V137 L138 I147	S130-I134 VanDerWaalsContact O-CG1 3.3Å; S130-I134 WeakPolarHBondContact O-CG1 3.37Å; S130-I134 PolarHBondContact O-N 2.95Å; L131-I134 PolarHBondContact O-N 3.28Å; I134-H136 PolarHBondContact O-N 2.93Å; I134-V137 PolarHBondContact O-N 3.46Å; I134-L138 HydrophobicContact CG2-CD1 3.76Å; I134-L138 HydrophobicContact CG2-CG 4.16Å; I134-L138 PolarHBondContact O-N 3.01Å; I134-I147 HydrophobicContact CG2-CD1 3.93Å
135	Q	83.9	Confident	85.1	Confident	55 Å²	55	88.2 Å²	88.2	26%	0.257	46%	0.457	S	S	.	.	H	α-helix	trans	-60.2	-30.6	174.5	-159.9	179.6	13.3	0	0	113.2	L131 K132 H133 V137 Q144 I147 L151	L131-Q135 WeakPolarHBondContact O-CB 3.43Å; L131-Q135 PolarHBondContact O-N 3.07Å; K132-Q135 WeakPolarHBondContact O-CB 3.49Å; K132-Q135 PolarHBondContact O-N 3.35Å; H133-Q135 VanDerWaalsContact C-N 3.3Å; H133-Q135 PolarHBondContact O-N 2.94Å; Q135-V137 VanDerWaalsContact C-N 3.33Å; Q135-Q144 VanDerWaalsContact CG-OE1 3.28Å; Q135-Q144 PolarHBondContact O-NE2 3.35Å; Q135-I147 HydrophobicContact CB-CG2 3.81Å; Q135-I147 HydrophobicContact CG-CG2 3.9Å; Q135-L151 VanDerWaalsContact OE1-CD1 3.28Å
136	H	81.4	Confident	85.3	Confident	160 Å²	160	84.9 Å²	84.9	74%	0.741	45%	0.445	S	S	*	.	T	Hydrogen-bonded Turn	trans	-81.4	-10.1	174.7	-73	-59	0	0	0	113.9	K132 H133 I134	K132-H136 PolarHBondContact O-CD2 3.29Å; K132-H136 PolarHBondContact O-N 2.93Å; H133-H136 PolarHBondContact O-N 3.38Å; H133-H136 VanDerWaalsContact O-N 3.11Å; I134-H136 PolarHBondContact O-N 2.93Å
137	V	87.3	Confident	85.6	Confident	90 Å²	90	80.7 Å²	80.7	55%	0.545	43%	0.425	S	S	.	.	T	Hydrogen-bonded Turn	trans	-102.3	-38.4	-178.2	174.5	0	0	0	0	112.4	H133 I134 Q135 V139	H133-V137 WeakPolarHBondContact O-CG2 3.06Å; H133-V137 PolarHBondContact O-N 3.04Å; I134-V137 PolarHBondContact O-N 3.46Å; Q135-V137 VanDerWaalsContact C-N 3.33Å; V137-V139 PolarHBondContact O-N 3.16Å
138	L	84.2	Confident	85.6	Confident	69 Å²	69	81.4 Å²	81.4	36%	0.361	43%	0.434	S	S	.	.			trans	-92.8	98.5	-178.1	-61.8	-176.7	0	0	0	110.9	I134 Q144 I147	I134-L138 HydrophobicContact CG2-CD1 3.76Å; I134-L138 HydrophobicContact CG2-CG 4.16Å; I134-L138 PolarHBondContact O-N 3.01Å; L138-Q144 PolarHBondContact O-NE2 2.8Å; L138-I147 HydrophobicContact CB-CD1 4.15Å; L138-I147 HydrophobicContact CD1-CD1 4.17Å
139	V	80.2	Confident	85.9	Confident	125 Å²	125	85.8 Å²	85.8	76%	0.758	46%	0.457	S	S	*	.			trans	-92	-5.2	-169.5	-166.3	0	0	0	0	113.1	V137	V137-V139 PolarHBondContact O-N 3.16Å
140	D	90.4	Very high	86	Confident	70 Å²	70	85 Å²	85	37%	0.374	45%	0.449	S	S	.	.	S	Bend	trans	-74	148.9	177.7	62.4	-78.3	0	0	0	112.5	Q142 S143 Q144	D140-Q142 VanDerWaalsContact C-N 3.33Å; D140-Q142 PolarHBondContact O-N 2.9Å; D140-S143 VanDerWaalsContact CG-OG 3.22Å; D140-S143 WeakPolarHBondContact OD1-CB 3.37Å; D140-S143 PolarHBondContact OD1-OG 3.45Å; D140-S143 VanDerWaalsContact OD1-OG 3.06Å; D140-S143 WeakPolarHBondContact OD2-CB 3.36Å; D140-S143 PolarHBondContact OD2-N 3.32Å; D140-S143 PolarHBondContact OD2-OG 3.45Å; D140-Q144 WeakPolarHBondContact O-CG 3.39Å; D140-Q144 PolarHBondContact O-N 2.9Å; D140-Q144 VanDerWaalsContact O-N 3.16Å
141	P	83.3	Confident	86.1	Confident	104 Å²	104	83 Å²	83	68%	0.675	43%	0.433	S	S	*	.	H	α-helix	trans	-62.9	-36.6	-172.5	-24.1	34.6	0	0	0	114	Q144 E145	P141-Q144 PolarHBondContact O-N 2.96Å; P141-E145 PolarHBondContact O-N 3.43Å; P141-E145 VanDerWaalsContact O-N 3.08Å
142	Q	87.9	Confident	86.2	Confident	140 Å²	140	88.6 Å²	88.6	65%	0.654	46%	0.459	S	S	*	.	H	α-helix	trans	-71.2	-46.4	-175.9	-172.6	174.7	-16.9	0	0	111.1	D140 Q144 E145 D146	D140-Q142 VanDerWaalsContact C-N 3.33Å; D140-Q142 PolarHBondContact O-N 2.9Å; Q142-Q144 PolarHBondContact O-N 3.42Å; Q142-E145 PolarHBondContact O-N 3.14Å; Q142-E145 VanDerWaalsContact O-N 3.13Å; Q142-D146 PolarHBondContact O-N 2.92Å
143	S	85.4	Confident	86.5	Confident	30 Å²	30	88 Å²	88	21%	0.21	46%	0.461	C	S	.	.	H	α-helix	trans	-62	-33	174.4	-56.9	0	0	0	0	112.1	D140 I147	D140-S143 VanDerWaalsContact CG-OG 3.22Å; D140-S143 WeakPolarHBondContact OD1-CB 3.37Å; D140-S143 PolarHBondContact OD1-OG 3.45Å; D140-S143 VanDerWaalsContact OD1-OG 3.06Å; D140-S143 WeakPolarHBondContact OD2-CB 3.36Å; D140-S143 PolarHBondContact OD2-N 3.32Å; D140-S143 PolarHBondContact OD2-OG 3.45Å; S143-I147 VanDerWaalsContact O-CB 3.28Å; S143-I147 WeakPolarHBondContact O-CB 3.4Å; S143-I147 VanDerWaalsContact O-CD1 3.24Å; S143-I147 WeakPolarHBondContact O-CD1 3.41Å; S143-I147 WeakPolarHBondContact O-CG1 3.45Å; S143-I147 PolarHBondContact O-N 3.16Å
144	Q	86.4	Confident	86.5	Confident	59 Å²	59	82 Å²	82	28%	0.276	43%	0.433	S	S	.	.	H	α-helix	trans	-65.4	-40.7	173.3	-74.9	-69.1	-26.9	0	0	112.8	Q135 L138 D140 P141 Q142 S148	Q135-Q144 VanDerWaalsContact CG-OE1 3.28Å; Q135-Q144 PolarHBondContact O-NE2 3.35Å; L138-Q144 PolarHBondContact O-NE2 2.8Å; D140-Q144 WeakPolarHBondContact O-CG 3.39Å; D140-Q144 PolarHBondContact O-N 2.9Å; D140-Q144 VanDerWaalsContact O-N 3.16Å; P141-Q144 PolarHBondContact O-N 2.96Å; Q142-Q144 PolarHBondContact O-N 3.42Å; Q144-S148 WeakPolarHBondContact O-CB 3.24Å; Q144-S148 PolarHBondContact O-N 3.06Å
145	E	87.7	Confident	86.7	Confident	146 Å²	146	83.8 Å²	83.8	68%	0.682	44%	0.44	S	S	*	.	H	α-helix	trans	-66.1	-46	174.5	-72.5	-179.8	179.2	0	0	111.5	P141 Q142 S148 L149	P141-E145 PolarHBondContact O-N 3.43Å; P141-E145 VanDerWaalsContact O-N 3.08Å; Q142-E145 PolarHBondContact O-N 3.14Å; Q142-E145 VanDerWaalsContact O-N 3.13Å; E145-S148 WeakPolarHBondContact O-CB 3.25Å; E145-S148 PolarHBondContact O-N 3.07Å; E145-L149 PolarHBondContact O-N 2.88Å
146	D	87.6	Confident	87.1	Confident	80 Å²	80	84.5 Å²	84.5	43%	0.428	45%	0.445	S	S	.	.	H	α-helix	trans	-63.1	-43.6	177.9	-74.3	-35	0	0	0	112.3	Q142 L149 I150	Q142-D146 PolarHBondContact O-N 2.92Å; D146-L149 WeakPolarHBondContact O-CB 3.47Å; D146-L149 PolarHBondContact O-N 3.49Å; D146-I150 VanDerWaalsContact O-CG1 3.3Å; D146-I150 WeakPolarHBondContact O-CG1 3.42Å; D146-I150 PolarHBondContact O-N 3.21Å
147	I	88.4	Confident	87.4	Confident	11 Å²	11	81.1 Å²	81.1	6%	0.056	44%	0.436	C	S	.	.	H	α-helix	trans	-67.2	-36.9	176.2	-65.5	160.9	0	0	0	111.1	I134 Q135 L138 S143 I150 L151	I134-I147 HydrophobicContact CG2-CD1 3.93Å; Q135-I147 HydrophobicContact CB-CG2 3.81Å; Q135-I147 HydrophobicContact CG-CG2 3.9Å; L138-I147 HydrophobicContact CB-CD1 4.15Å; L138-I147 HydrophobicContact CD1-CD1 4.17Å; S143-I147 VanDerWaalsContact O-CB 3.28Å; S143-I147 WeakPolarHBondContact O-CB 3.4Å; S143-I147 VanDerWaalsContact O-CD1 3.24Å; S143-I147 WeakPolarHBondContact O-CD1 3.41Å; S143-I147 WeakPolarHBondContact O-CG1 3.45Å; S143-I147 PolarHBondContact O-N 3.16Å; I147-I150 PolarHBondContact O-N 3.4Å; I147-L151 HydrophobicContact CG2-CD1 3.85Å; I147-L151 HydrophobicContact CG2-CG 4.21Å; I147-L151 WeakPolarHBondContact O-CB 3.44Å; I147-L151 WeakPolarHBondContact O-CG 3.31Å; I147-L151 PolarHBondContact O-N 2.84Å
148	S	85.9	Confident	87.5	Confident	64 Å²	64	82.3 Å²	82.3	45%	0.448	44%	0.439	S	S	.	.	H	α-helix	trans	-61.6	-43.5	174.8	-171.2	0	0	0	0	111.5	Q144 E145 L151 Q152	Q144-S148 WeakPolarHBondContact O-CB 3.24Å; Q144-S148 PolarHBondContact O-N 3.06Å; E145-S148 WeakPolarHBondContact O-CB 3.25Å; E145-S148 PolarHBondContact O-N 3.07Å; S148-L151 PolarHBondContact O-N 2.85Å; S148-Q152 WeakPolarHBondContact O-CB 3.43Å; S148-Q152 PolarHBondContact O-N 2.73Å
149	L	90.5	Very high	87.9	Confident	117 Å²	117	82.2 Å²	82.2	61%	0.613	44%	0.436	S	S	*	.	H	α-helix	trans	-61	-45.8	174.8	-171.2	77	0	0	0	111.9	E145 D146 Q152 L153	E145-L149 PolarHBondContact O-N 2.88Å; D146-L149 WeakPolarHBondContact O-CB 3.47Å; D146-L149 PolarHBondContact O-N 3.49Å; L149-Q152 PolarHBondContact O-N 2.64Å; L149-L153 PolarHBondContact O-N 3.48Å
150	I	87.8	Confident	88.2	Confident	76 Å²	76	78.5 Å²	78.5	39%	0.39	41%	0.41	S	S	.	.	H	α-helix	trans	-66.8	-40.9	178.8	-65.1	164.3	0	0	0	110.9	L131 D146 I147 Q152 L153 V154	L131-I150 HydrophobicContact CD1-CG2 3.86Å; L131-I150 HydrophobicContact CD2-CG2 3.76Å; L131-I150 HydrophobicContact CG-CG2 4.49Å; D146-I150 VanDerWaalsContact O-CG1 3.3Å; D146-I150 WeakPolarHBondContact O-CG1 3.42Å; D146-I150 PolarHBondContact O-N 3.21Å; I147-I150 PolarHBondContact O-N 3.4Å; I150-Q152 VanDerWaalsContact C-N 3.34Å; I150-Q152 PolarHBondContact O-N 2.73Å; I150-L153 PolarHBondContact O-N 3.28Å; I150-V154 HydrophobicContact CG2-CG2 4.36Å; I150-V154 WeakPolarHBondContact O-CG2 3.29Å; I150-V154 PolarHBondContact O-N 2.78Å
151	L	87.7	Confident	87.9	Confident	13 Å²	13	79.3 Å²	79.3	7%	0.068	42%	0.415	C	S	.	.	H	α-helix	trans	-61.9	-40.6	174.1	-79.2	169.9	0	0	0	111.7	L128 L131 K132 Q135 I147 S148 L153 V154 Q155	L128-L151 HydrophobicContact CD2-CD2 4.01Å; L131-L151 HydrophobicContact CB-CD2 3.65Å; L131-L151 HydrophobicContact CB-CG 4.25Å; L131-L151 HydrophobicContact CD1-CD2 4.24Å; K132-L151 HydrophobicContact CG-CD2 4.39Å; Q135-L151 VanDerWaalsContact OE1-CD1 3.28Å; I147-L151 HydrophobicContact CG2-CD1 3.85Å; I147-L151 HydrophobicContact CG2-CG 4.21Å; I147-L151 WeakPolarHBondContact O-CB 3.44Å; I147-L151 WeakPolarHBondContact O-CG 3.31Å; I147-L151 PolarHBondContact O-N 2.84Å; S148-L151 PolarHBondContact O-N 2.85Å; L151-L153 VanDerWaalsContact C-N 3.34Å; L151-V154 PolarHBondContact O-N 2.96Å; L151-Q155 VanDerWaalsContact O-CB 3.27Å; L151-Q155 WeakPolarHBondContact O-CB 3.37Å; L151-Q155 WeakPolarHBondContact O-CG 3.24Å; L151-Q155 PolarHBondContact O-N 3.38Å
152	Q	90.1	Very high	88	Confident	140 Å²	140	77 Å²	77	65%	0.654	41%	0.405	S	S	*	.	H	α-helix	trans	-64.4	-37.8	174.7	-175	178.3	-11.4	0	0	111.9	S148 L149 I150 N156	S148-Q152 WeakPolarHBondContact O-CB 3.43Å; S148-Q152 PolarHBondContact O-N 2.73Å; L149-Q152 PolarHBondContact O-N 2.64Å; I150-Q152 VanDerWaalsContact C-N 3.34Å; I150-Q152 PolarHBondContact O-N 2.73Å; Q152-N156 PolarHBondContact O-N 3.04Å
153	L	89.4	Confident	87.9	Confident	93 Å²	93	72.4 Å²	72.4	49%	0.487	38%	0.382	S	S	.	.	H	α-helix	trans	-66.7	-46.8	175.1	-179.2	61.9	0	0	0	112	L149 I150 L151 Q155 N156 F159	L149-L153 PolarHBondContact O-N 3.48Å; I150-L153 PolarHBondContact O-N 3.28Å; L151-L153 VanDerWaalsContact C-N 3.34Å; L153-Q155 VanDerWaalsContact C-N 3.26Å; L153-Q155 PolarHBondContact O-N 3.47Å; L153-N156 VanDerWaalsContact O-CB 3.24Å; L153-N156 WeakPolarHBondContact O-CB 3.06Å; L153-N156 PolarHBondContact O-N 3.45Å; L153-N156 VanDerWaalsContact O-N 3.09Å; L153-F159 HydrophobicContact CD1-CD2 4.16Å; L153-F159 HydrophobicContact CD1-CG 4.48Å; L153-F159 HydrophobicContact CG-CD2 4.13Å; L153-F159 HydrophobicContact CG-CE2 4.44Å; L153-F159 HydrophobicContact CG-CG 4.43Å; L153-F159 WeakPolarHBondContact O-CB 3.31Å
154	V	86.9	Confident	87.7	Confident	6 Å²	6	76.6 Å²	76.6	4%	0.036	40%	0.397	C	S	.	.	H	α-helix	trans	-71.8	-21	179.6	-177.9	0	0	0	0	112.1	V124 L127 L128 L131 I150 L151 F159 Q160	V124-V154 HydrophobicContact CG1-CG1 4.3Å; L127-V154 HydrophobicContact CD2-CG1 3.93Å; L127-V154 HydrophobicContact CD2-CG2 4.06Å; L127-V154 HydrophobicContact CG-CG1 4.27Å; L128-V154 HydrophobicContact CD2-CB 3.98Å; L128-V154 HydrophobicContact CD2-CG1 3.62Å; L128-V154 HydrophobicContact CG-CG1 3.76Å; L131-V154 HydrophobicContact CD1-CB 4.38Å; L131-V154 HydrophobicContact CD1-CG2 3.95Å; I150-V154 HydrophobicContact CG2-CG2 4.36Å; I150-V154 WeakPolarHBondContact O-CG2 3.29Å; I150-V154 PolarHBondContact O-N 2.78Å; L151-V154 PolarHBondContact O-N 2.96Å; V154-F159 HydrophobicContact CB-CE1 4.37Å; V154-F159 HydrophobicContact CG1-CE1 4.37Å; V154-F159 HydrophobicContact CG2-CD1 4.49Å; V154-F159 HydrophobicContact CG2-CE1 3.94Å; V154-F159 HydrophobicContact CG2-CZ 4.47Å; V154-Q160 WeakPolarHBondContact O-CG 3.38Å; V154-Q160 PolarHBondContact O-NE2 3.39Å
155	Q	87.8	Confident	87.6	Confident	111 Å²	111	79.1 Å²	79.1	52%	0.519	41%	0.411	S	S	.	.	T	Hydrogen-bonded Turn	trans	-81	-9.4	169.9	-73	171.5	36.9	0	0	113.9	L128 L151 L153 T157	L128-Q155 HydrophobicContact CD2-CG 4.06Å; L151-Q155 VanDerWaalsContact O-CB 3.27Å; L151-Q155 WeakPolarHBondContact O-CB 3.37Å; L151-Q155 WeakPolarHBondContact O-CG 3.24Å; L151-Q155 PolarHBondContact O-N 3.38Å; L153-Q155 VanDerWaalsContact C-N 3.26Å; L153-Q155 PolarHBondContact O-N 3.47Å; Q155-T157 PolarHBondContact O-N 2.86Å
156	N	92.4	Very high	87.3	Confident	70 Å²	70	77.3 Å²	77.3	37%	0.374	40%	0.403	S	S	.	.			trans	-71.3	126.5	176.7	-174.6	-41.8	0	0	0	110.6	Q152 L153 D158 F159 Q160	Q152-N156 PolarHBondContact O-N 3.04Å; L153-N156 VanDerWaalsContact O-CB 3.24Å; L153-N156 WeakPolarHBondContact O-CB 3.06Å; L153-N156 PolarHBondContact O-N 3.45Å; L153-N156 VanDerWaalsContact O-N 3.09Å; N156-D158 PolarHBondContact O-N 2.98Å; N156-D158 WeakPolarHBondContact OD1-CB 3.26Å; N156-D158 PolarHBondContact OD1-N 2.69Å; N156-F159 HydrophobicContact CB-CB 4.2Å; N156-F159 PolarHBondContact O-N 3.43Å; N156-Q160 WeakPolarHBondContact O-CG 3.28Å; N156-Q160 PolarHBondContact O-N 3.3Å
157	T	88.8	Confident	87.1	Confident	89 Å²	89	74.8 Å²	74.8	55%	0.546	39%	0.389	S	S	.	.	H	α-helix	trans	-55.9	-37.2	-179.4	47.1	0	0	0	0	113.3	Q155 Q160 N161	Q155-T157 PolarHBondContact O-N 2.86Å; T157-Q160 PolarHBondContact O-N 3.38Å; T157-N161 WeakPolarHBondContact O-CB 3.22Å; T157-N161 PolarHBondContact O-N 3.16Å; T157-N161 PolarHBondContact O-ND2 3.24Å; T157-N161 VanDerWaalsContact O-ND2 3.16Å
158	D	89.6	Confident	86.5	Confident	115 Å²	115	76.8 Å²	76.8	62%	0.615	41%	0.407	S	S	*	.	H	α-helix	trans	-73.6	-37.4	-176.3	-56.7	-15.6	0	0	0	110.4	N156 A162	N156-D158 PolarHBondContact O-N 2.98Å; N156-D158 WeakPolarHBondContact OD1-CB 3.26Å; N156-D158 PolarHBondContact OD1-N 2.69Å; D158-A162 VanDerWaalsContact O-CB 3.31Å; D158-A162 WeakPolarHBondContact O-CB 3.37Å; D158-A162 PolarHBondContact O-N 2.69Å
159	F	90.9	Very high	86	Confident	68 Å²	68	77.2 Å²	77.2	30%	0.298	41%	0.407	S	S	.	.	H	α-helix	trans	-64.8	-45.4	170.9	-179.2	-88.6	0	0	0	111.2	L153 V154 N156 N161 A162 F163	L153-F159 HydrophobicContact CD1-CD2 4.16Å; L153-F159 HydrophobicContact CD1-CG 4.48Å; L153-F159 HydrophobicContact CG-CD2 4.13Å; L153-F159 HydrophobicContact CG-CE2 4.44Å; L153-F159 HydrophobicContact CG-CG 4.43Å; L153-F159 WeakPolarHBondContact O-CB 3.31Å; V154-F159 HydrophobicContact CB-CE1 4.37Å; V154-F159 HydrophobicContact CG1-CE1 4.37Å; V154-F159 HydrophobicContact CG2-CD1 4.49Å; V154-F159 HydrophobicContact CG2-CE1 3.94Å; V154-F159 HydrophobicContact CG2-CZ 4.47Å; N156-F159 HydrophobicContact CB-CB 4.2Å; N156-F159 PolarHBondContact O-N 3.43Å; F159-N161 VanDerWaalsContact C-N 3.33Å; F159-N161 PolarHBondContact O-N 2.87Å; F159-A162 PolarHBondContact O-N 3.45Å; F159-F163 HydrophobicContact CE1-CB 4.34Å; F159-F163 HydrophobicContact CE1-CD2 4.4Å; F159-F163 HydrophobicContact CZ-CD2 4.36Å; F159-F163 VanDerWaalsContact O-CB 3.26Å; F159-F163 WeakPolarHBondContact O-CB 3.39Å; F159-F163 PolarHBondContact O-N 3.22Å
160	Q	87.4	Confident	85.1	Confident	46 Å²	46	73 Å²	73	22%	0.215	39%	0.387	C	S	.	.	H	α-helix	trans	-62.1	-40.3	177.9	-67.8	-174.8	4.9	0	0	112.3	V124 V154 N156 T157 F163 K164	V124-Q160 HydrophobicContact CG1-CG 3.87Å; V154-Q160 WeakPolarHBondContact O-CG 3.38Å; V154-Q160 PolarHBondContact O-NE2 3.39Å; N156-Q160 WeakPolarHBondContact O-CG 3.28Å; N156-Q160 PolarHBondContact O-N 3.3Å; T157-Q160 PolarHBondContact O-N 3.38Å; Q160-F163 PolarHBondContact O-N 3.3Å; Q160-K164 WeakPolarHBondContact O-CB 3.33Å; Q160-K164 VanDerWaalsContact O-CG 3.28Å; Q160-K164 WeakPolarHBondContact O-CG 3.4Å; Q160-K164 PolarHBondContact O-N 3.31Å
161	N	84.5	Confident	84.2	Confident	88 Å²	88	72.4 Å²	72.4	47%	0.471	39%	0.386	S	S	.	.	H	α-helix	trans	-66.6	-46	175.9	-70.8	-25.5	0	0	0	111.2	T157 F159 F163 K164 I165	T157-N161 WeakPolarHBondContact O-CB 3.22Å; T157-N161 PolarHBondContact O-N 3.16Å; T157-N161 PolarHBondContact O-ND2 3.24Å; T157-N161 VanDerWaalsContact O-ND2 3.16Å; F159-N161 VanDerWaalsContact C-N 3.33Å; F159-N161 PolarHBondContact O-N 2.87Å; N161-F163 VanDerWaalsContact C-N 3.33Å; N161-F163 PolarHBondContact O-N 2.93Å; N161-K164 PolarHBondContact O-N 3.01Å; N161-I165 WeakPolarHBondContact O-CD1 3.44Å; N161-I165 VanDerWaalsContact O-CG1 3.27Å; N161-I165 WeakPolarHBondContact O-CG1 3.29Å; N161-I165 PolarHBondContact O-N 2.9Å
162	A	85.3	Confident	82.9	Confident	56 Å²	56	78 Å²	78	46%	0.463	41%	0.411	S	S	.	.	H	α-helix	trans	-61.1	-39.4	175.2	0	0	0	0	0	112.6	D158 F159 I165 H166	D158-A162 VanDerWaalsContact O-CB 3.31Å; D158-A162 WeakPolarHBondContact O-CB 3.37Å; D158-A162 PolarHBondContact O-N 2.69Å; F159-A162 PolarHBondContact O-N 3.45Å; A162-I165 PolarHBondContact O-N 3.38Å; A162-H166 WeakPolarHBondContact O-CB 3.43Å; A162-H166 PolarHBondContact O-N 2.94Å
163	F	85.6	Confident	81.4	Confident	42 Å²	42	78.6 Å²	78.6	18%	0.184	42%	0.416	C	S	.	.	H	α-helix	trans	-69.5	-40.2	177.7	-170	-95.6	0	0	0	112.2	L122 V124 L127 F159 Q160 N161 H166 N167	L122-F163 WeakPolarHBondContact O-CE1 3.34Å; V124-F163 HydrophobicContact CG2-CD1 3.6Å; V124-F163 HydrophobicContact CG2-CE1 4.16Å; V124-F163 HydrophobicContact CG2-CG 4.5Å; L127-F163 HydrophobicContact CD2-CZ 4.5Å; F159-F163 HydrophobicContact CE1-CB 4.34Å; F159-F163 HydrophobicContact CE1-CD2 4.4Å; F159-F163 HydrophobicContact CZ-CD2 4.36Å; F159-F163 VanDerWaalsContact O-CB 3.26Å; F159-F163 WeakPolarHBondContact O-CB 3.39Å; F159-F163 PolarHBondContact O-N 3.22Å; Q160-F163 PolarHBondContact O-N 3.3Å; N161-F163 VanDerWaalsContact C-N 3.33Å; N161-F163 PolarHBondContact O-N 2.93Å; F163-H166 PolarHBondContact O-N 3.37Å; F163-N167 PolarHBondContact O-N 3.05Å
164	K	81.9	Confident	79.9	Confident	119 Å²	119	78.6 Å²	78.6	52%	0.517	42%	0.417	S	S	.	.	H	α-helix	trans	-61.8	-43.5	171.6	-75.4	173.3	-179.9	-178.6	0	111.9	Q160 N161 N167 A168	Q160-K164 WeakPolarHBondContact O-CB 3.33Å; Q160-K164 VanDerWaalsContact O-CG 3.28Å; Q160-K164 WeakPolarHBondContact O-CG 3.4Å; Q160-K164 PolarHBondContact O-N 3.31Å; N161-K164 PolarHBondContact O-N 3.01Å; K164-N167 PolarHBondContact O-N 3.17Å; K164-A168 WeakPolarHBondContact O-CB 3.41Å; K164-A168 PolarHBondContact O-N 3.29Å
165	I	82.6	Confident	78.3	Confident	111 Å²	111	85 Å²	85	57%	0.569	44%	0.444	S	S	*	.	H	α-helix	trans	-62.6	-44.3	174.4	-68.1	163.8	0	0	0	110.5	N161 A162 N167 A168 V169	N161-I165 WeakPolarHBondContact O-CD1 3.44Å; N161-I165 VanDerWaalsContact O-CG1 3.27Å; N161-I165 WeakPolarHBondContact O-CG1 3.29Å; N161-I165 PolarHBondContact O-N 2.9Å; A162-I165 PolarHBondContact O-N 3.38Å; I165-N167 PolarHBondContact O-N 3Å; I165-A168 PolarHBondContact O-N 2.89Å; I165-V169 HydrophobicContact CG2-CG2 4.33Å; I165-V169 WeakPolarHBondContact O-CB 3.21Å; I165-V169 VanDerWaalsContact O-CG2 3.31Å; I165-V169 WeakPolarHBondContact O-CG2 3.29Å; I165-V169 PolarHBondContact O-N 3.06Å
166	H	83.3	Confident	76.5	Confident	109 Å²	109	84.4 Å²	84.4	51%	0.505	46%	0.458	S	S	.	.	H	α-helix	trans	-59.9	-45.6	176.5	173.9	64.1	0	0	0	112.3	A162 F163 T170	A162-H166 WeakPolarHBondContact O-CB 3.43Å; A162-H166 PolarHBondContact O-N 2.94Å; F163-H166 PolarHBondContact O-N 3.37Å; H166-T170 PolarHBondContact CE1-OG1 2.92Å; H166-T170 VanDerWaalsContact O-CB 3.23Å; H166-T170 WeakPolarHBondContact O-CB 3.38Å; H166-T170 PolarHBondContact O-N 2.68Å; H166-T170 PolarHBondContact O-OG1 3.2Å
167	N	82.2	Confident	74.3	Confident	26 Å²	26	86 Å²	86	14%	0.139	48%	0.475	C	S	.	.	H	α-helix	trans	-62.1	-46.8	175.6	-78.6	0.8	0	0	0	111.5	T121 L122 F163 K164 I165 V169 T170 V171	T121-N167 HydrophobicContact CG2-CB 4.24Å; L122-N167 PolarHBondContact O-ND2 3.33Å; F163-N167 PolarHBondContact O-N 3.05Å; K164-N167 PolarHBondContact O-N 3.17Å; I165-N167 PolarHBondContact O-N 3Å; N167-V169 PolarHBondContact O-N 2.73Å; N167-T170 PolarHBondContact O-N 2.95Å; N167-V171 WeakPolarHBondContact O-CG2 3.4Å; N167-V171 PolarHBondContact O-N 2.96Å
168	A	76.3	Confident	72.5	Confident	54 Å²	54	85.5 Å²	85.5	45%	0.446	47%	0.473	S	S	.	.	H	α-helix	trans	-60.7	-45.6	178.8	0	0	0	0	0	112.3	K164 I165 T170 V171 H172	K164-A168 WeakPolarHBondContact O-CB 3.41Å; K164-A168 PolarHBondContact O-N 3.29Å; I165-A168 PolarHBondContact O-N 2.89Å; A168-T170 VanDerWaalsContact C-N 3.34Å; A168-T170 PolarHBondContact O-N 2.95Å; A168-V171 PolarHBondContact O-N 2.91Å; A168-H172 PolarHBondContact O-CD2 3.45Å; A168-H172 PolarHBondContact O-N 2.81Å
169	V	75.7	Confident	70.8	Confident	72 Å²	72	85.4 Å²	85.4	44%	0.436	48%	0.478	S	S	.	.	H	α-helix	trans	-62.1	-42.3	174	171.6	0	0	0	0	110.8	I165 N167 V171 H172 M173	I165-V169 HydrophobicContact CG2-CG2 4.33Å; I165-V169 WeakPolarHBondContact O-CB 3.21Å; I165-V169 VanDerWaalsContact O-CG2 3.31Å; I165-V169 WeakPolarHBondContact O-CG2 3.29Å; I165-V169 PolarHBondContact O-N 3.06Å; N167-V169 PolarHBondContact O-N 2.73Å; V169-V171 PolarHBondContact O-N 3.26Å; V169-H172 PolarHBondContact O-N 2.88Å; V169-M173 HydrophobicContact CG1-CG 4.04Å; V169-M173 HydrophobicContact CG1-SD 3.74Å; V169-M173 WeakPolarHBondContact O-CB 3.49Å; V169-M173 WeakPolarHBondContact O-CG 3.26Å; V169-M173 PolarHBondContact O-N 2.92Å
170	T	70.9	Confident	69.3	Low	30 Å²	30	90.1 Å²	90.1	18%	0.184	50%	0.496	C	S	.	.	H	α-helix	trans	-64.7	-40.4	179.3	-60.6	0	0	0	0	112	V119 T121 H166 N167 A168 N174	V119-T170 HydrophobicContact CG1-CG2 4.31Å; T121-T170 HydrophobicContact CG2-CG2 4.29Å; H166-T170 PolarHBondContact CE1-OG1 2.92Å; H166-T170 VanDerWaalsContact O-CB 3.23Å; H166-T170 WeakPolarHBondContact O-CB 3.38Å; H166-T170 PolarHBondContact O-N 2.68Å; H166-T170 PolarHBondContact O-OG1 3.2Å; N167-T170 PolarHBondContact O-N 2.95Å; A168-T170 VanDerWaalsContact C-N 3.34Å; A168-T170 PolarHBondContact O-N 2.95Å; T170-N174 WeakPolarHBondContact CG2-ND2 3.33Å; T170-N174 WeakPolarHBondContact O-CB 3.18Å; T170-N174 PolarHBondContact O-N 3.2Å; T170-N174 PolarHBondContact O-ND2 3.22Å
171	V	68.9	Low	68.4	Low	63 Å²	63	88.9 Å²	88.9	38%	0.382	49%	0.491	S	S	.	.	H	α-helix	trans	-65.6	-40.9	174.6	170.1	0	0	0	0	111.3	T121 N167 A168 V169	T121-V171 HydrophobicContact CG2-CG2 3.94Å; N167-V171 WeakPolarHBondContact O-CG2 3.4Å; N167-V171 PolarHBondContact O-N 2.96Å; A168-V171 PolarHBondContact O-N 2.91Å; V169-V171 PolarHBondContact O-N 3.26Å
172	H	61.2	Low	67.8	Low	129 Å²	129	91.7 Å²	91.7	60%	0.597	51%	0.505	S	S	*	.	H	α-helix	trans	-74.8	-38.2	-179.8	-85.3	-105.4	0	0	0	113.8	A168 V169 K175	A168-H172 PolarHBondContact O-CD2 3.45Å; A168-H172 PolarHBondContact O-N 2.81Å; V169-H172 PolarHBondContact O-N 2.88Å; H172-K175 PolarHBondContact O-N 2.89Å
173	M	58.9	Low	67.5	Low	154 Å²	154	92.2 Å²	92.2	76%	0.759	50%	0.5	S	S	*	.	H	α-helix	trans	-79.8	-15.7	-179.8	-65.6	-165.2	79.3	0	0	113.9	V169	V169-M173 HydrophobicContact CG1-CG 4.04Å; V169-M173 HydrophobicContact CG1-SD 3.74Å; V169-M173 WeakPolarHBondContact O-CB 3.49Å; V169-M173 WeakPolarHBondContact O-CG 3.26Å; V169-M173 PolarHBondContact O-N 2.92Å
174	N	56.3	Low	67.5	Low	92 Å²	92	92.6 Å²	92.6	49%	0.492	51%	0.508	S	S	.	.	T	Hydrogen-bonded Turn	trans	-96.1	7.5	171.7	-71	-74.7	0	0	0	113.7	V119 T170 A176	V119-N174 HydrophobicContact CG2-CB 3.73Å; T170-N174 WeakPolarHBondContact CG2-ND2 3.33Å; T170-N174 WeakPolarHBondContact O-CB 3.18Å; T170-N174 PolarHBondContact O-N 3.2Å; T170-N174 PolarHBondContact O-ND2 3.22Å; N174-A176 PolarHBondContact O-N 2.96Å
175	K	54.3	Low	67.8	Low	142 Å²	142	89.6 Å²	89.6	62%	0.617	50%	0.498	S	S	*	.	S	Bend	trans	-63.2	123.3	160.3	-70.9	-167.6	177	-171.9	0	107.7	H172 S177	H172-K175 PolarHBondContact O-N 2.89Å; K175-S177 PolarHBondContact O-N 3.12Å; K175-S177 VanDerWaalsContact O-N 3.13Å
176	A	48.8	Very low	68.2	Low	98 Å²	98	85.1 Å²	85.1	81%	0.81	48%	0.477	S	S	*	.	P	Polyproline II helix	trans	-55.2	122.6	174.2	0	0	0	0	0	109	N174	N174-A176 PolarHBondContact O-N 2.96Å
177	S	47.7	Very low	68.5	Low	104 Å²	104	83 Å²	83	73%	0.727	47%	0.467	S	S	*	.	P	Polyproline II helix	trans	-58.4	145.1	168	-62.4	0	0	0	0	108.4	K175	K175-S177 PolarHBondContact O-N 3.12Å; K175-S177 VanDerWaalsContact O-N 3.13Å
178	P	50.8	Low	68.9	Low	77 Å²	77	87.2 Å²	87.2	50%	0.5	49%	0.486	S	S	.	.	P	Polyproline II helix	trans	-55.8	138.2	172.3	27	-34.6	0	0	0	108.4	Y180	P178-Y180 PolarHBondContact O-N 2.91Å
179	P	53.7	Low	69.5	Low	113 Å²	113	88 Å²	88	73%	0.734	48%	0.482	S	S	*	.	S	Bend	trans	-67	-11.4	-171.4	26.6	-35.2	0	0	0	113.6
180	Y	58.8	Low	70.3	Confident	168 Å²	168	85.1 Å²	85.1	66%	0.659	47%	0.466	S	S	*	.	S	Bend	trans	-143.1	155.5	173.7	-55	-76.3	0	0	0	109	P178	P178-Y180 PolarHBondContact O-N 2.91Å
181	P	69.1	Low	71.2	Confident	20 Å²	20	88.9 Å²	88.9	13%	0.13	48%	0.481	C	S	.	.			trans	-62.7	139.8	171.1	-7.1	17.3	0	0	0	111.2	A228 E231 M232	P181-A228 HydrophobicContact CB-CB 3.5Å; P181-A228 VanDerWaalsContact CB-CB 3.5Å; P181-A228 HydrophobicContact CG-CB 3.75Å; P181-E231 WeakPolarHBondContact CD-OE2 3.09Å; P181-E231 HydrophobicContact CG-CB 3.79Å; P181-E231 WeakPolarHBondContact CG-OE2 3.36Å; P181-M232 HydrophobicContact CB-CG 4.15Å; P181-M232 HydrophobicContact CB-SD 4.07Å; P181-M232 HydrophobicContact CG-CG 4.04Å
182	L	72.3	Confident	72.2	Confident	146 Å²	146	91.7 Å²	91.7	76%	0.764	49%	0.491	S	S	*	.	S	Bend	trans	-82.5	-24	179.4	-63.3	175.1	0	0	0	113.1
183	I	78.8	Confident	73.5	Confident	67 Å²	67	88.5 Å²	88.5	34%	0.344	48%	0.48	S	S	.	.			trans	-150.5	155.4	-178.8	51.9	166.7	0	0	0	109.2	A186 L189 H224 A228 M232	I183-A186 HydrophobicContact CD1-CB 3.87Å; I183-L189 HydrophobicContact CD1-CD1 3.71Å; I183-H224 PolarHBondContact O-CE1 3.34Å; I183-H224 VanDerWaalsContact O-CE1 3.29Å; I183-A228 WeakPolarHBondContact O-CB 3.27Å; I183-M232 VanDerWaalsContact C-SD 3.55Å
184	S	84.8	Confident	74.8	Confident	51 Å²	51	82.2 Å²	82.2	36%	0.357	45%	0.449	S	S	.	.	S	Bend	trans	-116.3	7.6	177.2	52.7	0	0	0	0	114.3	D225	S184-D225 WeakPolarHBondContact O-CB 3.44Å; S184-D225 VanDerWaalsContact O-CG 3.26Å
185	N	89.1	Confident	76.3	Confident	56 Å²	56	80.9 Å²	80.9	30%	0.299	45%	0.447	S	S	.	.			trans	-134.2	39	-174.8	74	-30	0	0	0	113.9	Q187 E188 L189 D225	N185-Q187 PolarHBondContact O-N 2.9Å; N185-E188 HydrophobicContact CB-CB 4.16Å; N185-E188 HydrophobicContact CB-CG 4.07Å; N185-E188 WeakPolarHBondContact CB-OE2 3.31Å; N185-E188 PolarHBondContact ND2-OE2 3.34Å; N185-E188 WeakPolarHBondContact O-CB 3.48Å; N185-E188 PolarHBondContact O-N 3.49Å; N185-L189 PolarHBondContact O-N 3.07Å; N185-L189 VanDerWaalsContact O-N 3.12Å; N185-D225 VanDerWaalsContact C-OD2 3.24Å; N185-D225 WeakPolarHBondContact CA-OD2 3.24Å
186	A	89.8	Confident	77.9	Confident	16 Å²	16	79.3 Å²	79.3	13%	0.132	45%	0.449	C	S	.	.	H	α-helix	trans	-59.9	-26.8	177.1	0	0	0	0	0	112.9	I183 A190 L221 D225	I183-A186 HydrophobicContact CD1-CB 3.87Å; A186-A190 VanDerWaalsContact O-CB 3.31Å; A186-A190 WeakPolarHBondContact O-CB 3.11Å; A186-A190 PolarHBondContact O-N 2.89Å; A186-L221 HydrophobicContact CB-CD2 3.8Å; A186-D225 VanDerWaalsContact CB-OD1 3.32Å; A186-D225 WeakPolarHBondContact CB-OD1 3.42Å; A186-D225 VanDerWaalsContact N-CG 3.28Å; A186-D225 PolarHBondContact N-OD1 2.99Å; A186-D225 PolarHBondContact N-OD2 3.21Å
187	Q	90.9	Very high	79.6	Confident	64 Å²	64	76.1 Å²	76.1	30%	0.299	42%	0.418	S	S	.	.	H	α-helix	trans	-71.6	-30.7	173.3	-166.1	-178.9	19.9	0	0	112.9	N185 Q191 L221 D225	N185-Q187 PolarHBondContact O-N 2.9Å; Q187-Q191 WeakPolarHBondContact O-CG 3.42Å; Q187-Q191 PolarHBondContact O-N 2.88Å; Q187-Q191 PolarHBondContact O-NE2 3.33Å; Q187-L221 HydrophobicContact CB-CB 4.28Å; Q187-D225 WeakPolarHBondContact CB-OD2 3.34Å; Q187-D225 PolarHBondContact N-OD2 2.96Å
188	E	88.8	Confident	81.1	Confident	115 Å²	115	78.4 Å²	78.4	54%	0.537	42%	0.415	S	S	.	.	H	α-helix	trans	-72.4	-48.8	172.5	-63.4	-171.8	142.9	0	0	110.1	N185 A190 Q191 E192	N185-E188 HydrophobicContact CB-CB 4.16Å; N185-E188 HydrophobicContact CB-CG 4.07Å; N185-E188 WeakPolarHBondContact CB-OE2 3.31Å; N185-E188 PolarHBondContact ND2-OE2 3.34Å; N185-E188 WeakPolarHBondContact O-CB 3.48Å; N185-E188 PolarHBondContact O-N 3.49Å; E188-A190 VanDerWaalsContact C-N 3.27Å; E188-A190 PolarHBondContact O-N 2.83Å; E188-Q191 CarbonylContact O-C 3.46Å; E188-Q191 WeakPolarHBondContact O-CA 3.2Å; E188-Q191 WeakPolarHBondContact O-CB 3.41Å; E188-Q191 PolarHBondContact O-N 2.93Å; E188-E192 PolarHBondContact O-N 3.31Å
189	L	90.3	Very high	82.6	Confident	71 Å²	71	79.4 Å²	79.4	37%	0.372	42%	0.421	S	S	.	.	H	α-helix	trans	-58.2	-38.4	176.7	-67.1	170.5	0	0	0	112	I183 N185 Q191 E192 V193	I183-L189 HydrophobicContact CD1-CD1 3.71Å; N185-L189 PolarHBondContact O-N 3.07Å; N185-L189 VanDerWaalsContact O-N 3.12Å; L189-Q191 VanDerWaalsContact C-N 3.32Å; L189-Q191 PolarHBondContact O-N 3.16Å; L189-E192 PolarHBondContact O-N 3.32Å; L189-V193 WeakPolarHBondContact O-CB 3.27Å; L189-V193 WeakPolarHBondContact O-CG2 3.12Å; L189-V193 PolarHBondContact O-N 3.47Å
190	A	91.6	Very high	83.9	Confident	11 Å²	11	75.8 Å²	75.8	9%	0.091	40%	0.398	C	S	.	.	H	α-helix	trans	-62.5	-36.7	172.5	0	0	0	0	0	112.8	A186 E188 Q194 L212 L221	A186-A190 VanDerWaalsContact O-CB 3.31Å; A186-A190 WeakPolarHBondContact O-CB 3.11Å; A186-A190 PolarHBondContact O-N 2.89Å; E188-A190 VanDerWaalsContact C-N 3.27Å; E188-A190 PolarHBondContact O-N 2.83Å; A190-Q194 WeakPolarHBondContact O-CB 3.24Å; A190-Q194 WeakPolarHBondContact O-CG 3.4Å; A190-Q194 PolarHBondContact O-N 2.91Å; A190-L212 HydrophobicContact CB-CD2 4.21Å; A190-L221 HydrophobicContact CB-CD1 3.67Å
191	Q	89.7	Confident	85.1	Confident	109 Å²	109	76 Å²	76	51%	0.509	41%	0.405	S	S	.	.	H	α-helix	trans	-72.4	-36.1	175.2	-72.2	170.2	72.3	0	0	112.3	Q187 E188 L189 Q194 S195	Q187-Q191 WeakPolarHBondContact O-CG 3.42Å; Q187-Q191 PolarHBondContact O-N 2.88Å; Q187-Q191 PolarHBondContact O-NE2 3.33Å; E188-Q191 CarbonylContact O-C 3.46Å; E188-Q191 WeakPolarHBondContact O-CA 3.2Å; E188-Q191 WeakPolarHBondContact O-CB 3.41Å; E188-Q191 PolarHBondContact O-N 2.93Å; L189-Q191 VanDerWaalsContact C-N 3.32Å; L189-Q191 PolarHBondContact O-N 3.16Å; Q191-Q194 PolarHBondContact O-N 3.03Å; Q191-S195 WeakPolarHBondContact O-CB 3.4Å; Q191-S195 PolarHBondContact O-N 3.37Å
192	E	89.8	Confident	86	Confident	123 Å²	123	81.6 Å²	81.6	58%	0.575	43%	0.429	S	S	*	.	H	α-helix	trans	-63.3	-48.2	172.1	-68.8	-166.6	159	0	0	111.2	E188 L189 Q194 S195 V196	E188-E192 PolarHBondContact O-N 3.31Å; L189-E192 PolarHBondContact O-N 3.32Å; E192-Q194 PolarHBondContact O-N 2.92Å; E192-S195 WeakPolarHBondContact O-CA 3.47Å; E192-S195 WeakPolarHBondContact O-CB 3.45Å; E192-S195 PolarHBondContact O-N 2.9Å; E192-S195 PolarHBondContact O-OG 2.96Å; E192-V196 PolarHBondContact O-N 2.93Å
193	V	89.3	Confident	86.7	Confident	62 Å²	62	81 Å²	81	38%	0.376	42%	0.421	S	S	.	.	H	α-helix	trans	-58.2	-46	174.7	169.4	0	0	0	0	110.8	L189 S195 V196 L197 L208 L212	L189-V193 WeakPolarHBondContact O-CB 3.27Å; L189-V193 WeakPolarHBondContact O-CG2 3.12Å; L189-V193 PolarHBondContact O-N 3.47Å; V193-S195 VanDerWaalsContact C-N 3.27Å; V193-S195 PolarHBondContact O-N 3.36Å; V193-V196 PolarHBondContact O-N 2.84Å; V193-L197 HydrophobicContact CG1-CD1 3.68Å; V193-L197 HydrophobicContact CG1-CG 4.26Å; V193-L197 WeakPolarHBondContact O-CB 3.33Å; V193-L197 VanDerWaalsContact O-CG 3.25Å; V193-L197 WeakPolarHBondContact O-CG 3.18Å; V193-L197 PolarHBondContact O-N 2.99Å; V193-L208 HydrophobicContact CG1-CD2 4.4Å; V193-L212 HydrophobicContact CB-CD1 4.3Å; V193-L212 HydrophobicContact CG1-CD1 3.74Å
194	Q	86.4	Confident	86.9	Confident	21 Å²	21	82.8 Å²	82.8	10%	0.098	43%	0.431	C	S	.	.	H	α-helix	trans	-59	-35.6	171.9	-73.8	174.6	17.4	0	0	112.8	A190 Q191 E192 L197 K198 L212	A190-Q194 WeakPolarHBondContact O-CB 3.24Å; A190-Q194 WeakPolarHBondContact O-CG 3.4Å; A190-Q194 PolarHBondContact O-N 2.91Å; Q191-Q194 PolarHBondContact O-N 3.03Å; E192-Q194 PolarHBondContact O-N 2.92Å; Q194-L197 PolarHBondContact O-N 3.37Å; Q194-K198 VanDerWaalsContact O-CG 3.31Å; Q194-K198 WeakPolarHBondContact O-CG 3.38Å; Q194-K198 PolarHBondContact O-N 3.38Å; Q194-L212 HydrophobicContact CG-CB 4.13Å; Q194-L212 HydrophobicContact CG-CD1 4.35Å; Q194-L212 PolarHBondContact NE2-O 2.98Å
195	S	87.6	Confident	86.9	Confident	64 Å²	64	80.9 Å²	80.9	45%	0.448	42%	0.419	S	S	.	.	H	α-helix	trans	-66.2	-38.8	177.4	86	0	0	0	0	112.5	Q191 E192 V193	Q191-S195 WeakPolarHBondContact O-CB 3.4Å; Q191-S195 PolarHBondContact O-N 3.37Å; E192-S195 WeakPolarHBondContact O-CA 3.47Å; E192-S195 WeakPolarHBondContact O-CB 3.45Å; E192-S195 PolarHBondContact O-N 2.9Å; E192-S195 PolarHBondContact O-OG 2.96Å; V193-S195 VanDerWaalsContact C-N 3.27Å; V193-S195 PolarHBondContact O-N 3.36Å
196	V	88	Confident	86.8	Confident	109 Å²	109	83.3 Å²	83.3	66%	0.661	43%	0.429	S	S	*	.	H	α-helix	trans	-73.5	-31.3	175.7	176.3	0	0	0	0	111.6	E192 V193 P199	E192-V196 PolarHBondContact O-N 2.93Å; V193-V196 PolarHBondContact O-N 2.84Å; V196-P199 WeakPolarHBondContact O-CD 3.44Å; V196-P199 WeakPolarHBondContact O-CG 3.38Å
197	L	85.6	Confident	86.8	Confident	31 Å²	31	87.5 Å²	87.5	16%	0.162	45%	0.446	C	S	.	.	H	α-helix	trans	-80.8	-22.6	178.2	-69.4	174.1	0	0	0	114.4	V193 Q194 S200 L208 N209	V193-L197 HydrophobicContact CG1-CD1 3.68Å; V193-L197 HydrophobicContact CG1-CG 4.26Å; V193-L197 WeakPolarHBondContact O-CB 3.33Å; V193-L197 VanDerWaalsContact O-CG 3.25Å; V193-L197 WeakPolarHBondContact O-CG 3.18Å; V193-L197 PolarHBondContact O-N 2.99Å; Q194-L197 PolarHBondContact O-N 3.37Å; L197-S200 VanDerWaalsContact O-CB 3.24Å; L197-S200 WeakPolarHBondContact O-CB 3.5Å; L197-S200 PolarHBondContact O-N 3.41Å; L197-L208 HydrophobicContact CD1-CB 4.25Å; L197-L208 HydrophobicContact CD1-CD2 3.9Å; L197-L208 HydrophobicContact CD1-CG 3.92Å; L197-N209 HydrophobicContact CB-CB 4.47Å; L197-N209 HydrophobicContact CD1-CB 4.33Å
198	K	78.9	Confident	86.8	Confident	152 Å²	152	88.2 Å²	88.2	66%	0.661	45%	0.451	S	S	*	.	T	Hydrogen-bonded Turn	trans	-49.6	-42.8	176.8	-85.2	163.9	-165.9	165.1	0	115.4	Q194 S200	Q194-K198 VanDerWaalsContact O-CG 3.31Å; Q194-K198 WeakPolarHBondContact O-CG 3.38Å; Q194-K198 PolarHBondContact O-N 3.38Å; K198-S200 VanDerWaalsContact C-N 3.32Å
199	P	82.4	Confident	86.8	Confident	99 Å²	99	85 Å²	85	64%	0.643	44%	0.437	S	S	*	.	T	Hydrogen-bonded Turn	trans	-81.3	-1.3	173.8	31.8	-37.7	0	0	0	114.8	V196	V196-P199 WeakPolarHBondContact O-CD 3.44Å; V196-P199 WeakPolarHBondContact O-CG 3.38Å
200	S	79.3	Confident	86.8	Confident	36 Å²	36	84.6 Å²	84.6	25%	0.252	44%	0.444	S	S	.	.			trans	-82.9	133.8	-176	-170.6	0	0	0	0	112.6	L197 K198 H202	L197-S200 VanDerWaalsContact O-CB 3.24Å; L197-S200 WeakPolarHBondContact O-CB 3.5Å; L197-S200 PolarHBondContact O-N 3.41Å; K198-S200 VanDerWaalsContact C-N 3.32Å; S200-H202 PolarHBondContact OG-N 3.19Å
201	H	83.9	Confident	86.8	Confident	172 Å²	172	88.6 Å²	88.6	80%	0.796	46%	0.464	S	S	*	.			trans	-102	1.2	172.3	-63.9	-42.5	0	0	0	113.4	Q206	H201-Q206 PolarHBondContact O-NE2 3.48Å; H201-Q206 VanDerWaalsContact O-NE2 3.08Å
202	H	88.3	Confident	86.9	Confident	138 Å²	138	84.6 Å²	84.6	64%	0.639	45%	0.446	S	S	*	.			trans	-68.4	139	175.4	-81.6	-103.6	0	0	0	111.5	S200 D204 G205 Q206	S200-H202 PolarHBondContact OG-N 3.19Å; H202-D204 VanDerWaalsContact C-N 3.29Å; H202-D204 PolarHBondContact O-N 3.22Å; H202-G205 PolarHBondContact O-N 3.38Å; H202-Q206 WeakPolarHBondContact O-CG 3.5Å; H202-Q206 PolarHBondContact O-N 2.88Å; H202-Q206 VanDerWaalsContact O-N 3.09Å
203	K	87.4	Confident	87	Confident	135 Å²	135	82.2 Å²	82.2	59%	0.587	44%	0.437	S	S	*	.	H	α-helix	trans	-53.7	-47.9	179.9	179.8	-173.3	166.3	-78.1	0	111.3	G205 Q206 E207	K203-G205 VanDerWaalsContact C-N 3.3Å; K203-G205 PolarHBondContact O-N 2.86Å; K203-Q206 WeakPolarHBondContact O-CA 3.2Å; K203-Q206 WeakPolarHBondContact O-CB 3.33Å; K203-Q206 PolarHBondContact O-N 3.31Å; K203-E207 IonicContact NZ-OE2 2.68Å; K203-E207 PolarHBondContact NZ-OE2 2.98Å; K203-E207 PolarHBondContact O-N 3.41Å
204	D	83.7	Confident	87.2	Confident	104 Å²	104	80.9 Å²	80.9	56%	0.556	43%	0.432	S	S	*	.	H	α-helix	trans	-72.7	-30.1	-171	-33.1	-58.8	0	0	0	110.7	H202 E207 L208	H202-D204 VanDerWaalsContact C-N 3.29Å; H202-D204 PolarHBondContact O-N 3.22Å; D204-E207 PolarHBondContact O-N 3.01Å; D204-L208 VanDerWaalsContact O-CB 3.29Å; D204-L208 WeakPolarHBondContact O-CB 3.2Å; D204-L208 PolarHBondContact O-N 3.19Å
205	G	85	Confident	87.5	Confident	11 Å²	11	84.2 Å²	84.2	11%	0.113	46%	0.456	C	S	.	.	H	α-helix	trans	-68.4	-34.7	168.8	0	0	0	0	0	113.4	H202 K203 N209	H202-G205 PolarHBondContact O-N 3.38Å; K203-G205 VanDerWaalsContact C-N 3.3Å; K203-G205 PolarHBondContact O-N 2.86Å; G205-N209 WeakPolarHBondContact O-CB 3.26Å; G205-N209 PolarHBondContact O-N 3.43Å
206	Q	85.7	Confident	87.6	Confident	107 Å²	107	88.9 Å²	88.9	50%	0.5	47%	0.47	S	S	.	.	H	α-helix	trans	-70.8	-38.5	172.6	-65.4	171.8	42.1	0	0	111.5	H201 H202 K203 N209 A210	H201-Q206 PolarHBondContact O-NE2 3.48Å; H201-Q206 VanDerWaalsContact O-NE2 3.08Å; H202-Q206 WeakPolarHBondContact O-CG 3.5Å; H202-Q206 PolarHBondContact O-N 2.88Å; H202-Q206 VanDerWaalsContact O-N 3.09Å; K203-Q206 WeakPolarHBondContact O-CA 3.2Å; K203-Q206 WeakPolarHBondContact O-CB 3.33Å; K203-Q206 PolarHBondContact O-N 3.31Å; Q206-N209 PolarHBondContact O-N 3.42Å; Q206-A210 WeakPolarHBondContact O-CB 3.41Å; Q206-A210 PolarHBondContact O-N 2.89Å
207	E	91.3	Very high	87.8	Confident	104 Å²	104	86.7 Å²	86.7	49%	0.486	45%	0.454	S	S	.	.	H	α-helix	trans	-67.2	-46	177.4	-167.7	165.2	163	0	0	111.6	K203 D204 A210 L211	K203-E207 IonicContact NZ-OE2 2.68Å; K203-E207 PolarHBondContact NZ-OE2 2.98Å; K203-E207 PolarHBondContact O-N 3.41Å; D204-E207 PolarHBondContact O-N 3.01Å; E207-A210 WeakPolarHBondContact O-CB 3.09Å; E207-A210 PolarHBondContact O-N 3.35Å; E207-L211 PolarHBondContact O-N 3.34Å
208	L	89.6	Confident	88.1	Confident	78 Å²	78	88.8 Å²	88.8	41%	0.408	46%	0.462	S	S	.	.	H	α-helix	trans	-61.8	-42.9	172.1	178.7	56.8	0	0	0	111.9	V193 L197 D204 A210 L211 L212	V193-L208 HydrophobicContact CG1-CD2 4.4Å; L197-L208 HydrophobicContact CD1-CB 4.25Å; L197-L208 HydrophobicContact CD1-CD2 3.9Å; L197-L208 HydrophobicContact CD1-CG 3.92Å; D204-L208 VanDerWaalsContact O-CB 3.29Å; D204-L208 WeakPolarHBondContact O-CB 3.2Å; D204-L208 PolarHBondContact O-N 3.19Å; L208-A210 VanDerWaalsContact C-N 3.3Å; L208-A210 PolarHBondContact O-N 2.89Å; L208-L211 PolarHBondContact O-N 2.85Å; L208-L212 HydrophobicContact CD1-CD1 4.03Å; L208-L212 HydrophobicContact CD1-CG 4.04Å; L208-L212 HydrophobicContact CG-CD1 4.11Å; L208-L212 WeakPolarHBondContact O-CG 3.21Å; L208-L212 PolarHBondContact O-N 3.44Å
209	N	89.3	Confident	88.6	Confident	47 Å²	47	84.2 Å²	84.2	25%	0.251	45%	0.453	S	S	.	.	H	α-helix	trans	-63.1	-35.2	174.5	-179.9	58.2	0	0	0	112.2	L197 G205 Q206 N213	L197-N209 HydrophobicContact CB-CB 4.47Å; L197-N209 HydrophobicContact CD1-CB 4.33Å; G205-N209 WeakPolarHBondContact O-CB 3.26Å; G205-N209 PolarHBondContact O-N 3.43Å; Q206-N209 PolarHBondContact O-N 3.42Å; N209-N213 WeakPolarHBondContact O-CB 3.49Å; N209-N213 PolarHBondContact O-N 2.95Å; N209-N213 VanDerWaalsContact O-N 3.14Å; N209-N213 PolarHBondContact O-ND2 3.32Å; N209-N213 PolarHBondContact OD1-ND2 3.45Å; N209-N213 VanDerWaalsContact OD1-ND2 3.13Å
210	A	90.1	Very high	89	Confident	63 Å²	63	84.8 Å²	84.8	52%	0.521	45%	0.45	S	S	.	.	H	α-helix	trans	-68.5	-41.6	173.7	0	0	0	0	0	112.1	Q206 E207 L208 N213 A214	Q206-A210 WeakPolarHBondContact O-CB 3.41Å; Q206-A210 PolarHBondContact O-N 2.89Å; E207-A210 WeakPolarHBondContact O-CB 3.09Å; E207-A210 PolarHBondContact O-N 3.35Å; L208-A210 VanDerWaalsContact C-N 3.3Å; L208-A210 PolarHBondContact O-N 2.89Å; A210-N213 CarbonylContact O-C 3.55Å; A210-N213 PolarHBondContact O-N 3.32Å; A210-A214 PolarHBondContact O-N 2.99Å; A210-A214 VanDerWaalsContact O-N 3.07Å
211	L	92.5	Very high	89.6	Confident	95 Å²	95	84.5 Å²	84.5	50%	0.497	45%	0.446	S	S	.	.	H	α-helix	trans	-61.2	-47.7	174.7	-92.1	162.7	0	0	0	112.5	E207 L208 N213 A214 M217	E207-L211 PolarHBondContact O-N 3.34Å; L208-L211 PolarHBondContact O-N 2.85Å; L211-N213 PolarHBondContact O-N 3.01Å; L211-A214 VanDerWaalsContact O-CB 3.26Å; L211-A214 WeakPolarHBondContact O-CB 3.36Å; L211-A214 PolarHBondContact O-N 3.44Å; L211-M217 VanDerWaalsContact O-CB 3.26Å; L211-M217 WeakPolarHBondContact O-CB 3.26Å
212	L	91.8	Very high	89.9	Confident	25 Å²	25	80.1 Å²	80.1	13%	0.131	43%	0.428	C	S	.	.	H	α-helix	trans	-69.2	-17.1	177.3	-63.5	174.3	0	0	0	113.1	A190 V193 Q194 L208 M217 Q218	A190-L212 HydrophobicContact CB-CD2 4.21Å; V193-L212 HydrophobicContact CB-CD1 4.3Å; V193-L212 HydrophobicContact CG1-CD1 3.74Å; Q194-L212 HydrophobicContact CG-CB 4.13Å; Q194-L212 HydrophobicContact CG-CD1 4.35Å; Q194-L212 PolarHBondContact NE2-O 2.98Å; L208-L212 HydrophobicContact CD1-CD1 4.03Å; L208-L212 HydrophobicContact CD1-CG 4.04Å; L208-L212 HydrophobicContact CG-CD1 4.11Å; L208-L212 WeakPolarHBondContact O-CG 3.21Å; L208-L212 PolarHBondContact O-N 3.44Å; L212-M217 HydrophobicContact CD2-CG 4.46Å; L212-Q218 WeakPolarHBondContact O-CG 3.31Å; L212-Q218 PolarHBondContact O-NE2 2.94Å
213	N	90.6	Very high	89.9	Confident	74 Å²	74	76.1 Å²	76.1	40%	0.396	42%	0.418	S	S	.	.	T	Hydrogen-bonded Turn	trans	-94.9	-0.2	171.1	-79	-73.1	0	0	0	113.9	N209 A210 L211	N209-N213 WeakPolarHBondContact O-CB 3.49Å; N209-N213 PolarHBondContact O-N 2.95Å; N209-N213 VanDerWaalsContact O-N 3.14Å; N209-N213 PolarHBondContact O-ND2 3.32Å; N209-N213 PolarHBondContact OD1-ND2 3.45Å; N209-N213 VanDerWaalsContact OD1-ND2 3.13Å; A210-N213 CarbonylContact O-C 3.55Å; A210-N213 PolarHBondContact O-N 3.32Å; L211-N213 PolarHBondContact O-N 3.01Å
214	A	94.4	Very high	90.1	Very high	33 Å²	33	73.2 Å²	73.2	27%	0.273	41%	0.407	S	S	.	.	S	Bend	trans	-68.6	131.8	174.1	0	0	0	0	0	109.9	A210 L211 H216 M217 Q218	A210-A214 PolarHBondContact O-N 2.99Å; A210-A214 VanDerWaalsContact O-N 3.07Å; L211-A214 VanDerWaalsContact O-CB 3.26Å; L211-A214 WeakPolarHBondContact O-CB 3.36Å; L211-A214 PolarHBondContact O-N 3.44Å; A214-H216 PolarHBondContact O-N 3.07Å; A214-H216 VanDerWaalsContact O-N 3.16Å; A214-M217 HydrophobicContact CB-CB 4.22Å; A214-M217 WeakPolarHBondContact O-CB 3.27Å; A214-M217 PolarHBondContact O-N 2.66Å; A214-Q218 PolarHBondContact O-N 3.19Å
215	P	91.4	Very high	90.4	Very high	91 Å²	91	68.8 Å²	68.8	59%	0.591	38%	0.383	S	S	*	.	H	α-helix	trans	-62.7	-29.6	-174.3	24.1	-34.3	0	0	0	112.6	A219	P215-A219 VanDerWaalsContact O-CB 3.25Å; P215-A219 WeakPolarHBondContact O-CB 3.37Å; P215-A219 PolarHBondContact O-N 3.35Å
216	H	90.9	Very high	90.5	Very high	162 Å²	162	72.9 Å²	72.9	75%	0.75	40%	0.398	S	S	*	.	H	α-helix	trans	-69.6	-35.1	173.9	-57.8	-63.6	0	0	0	112.8	A214 L220	A214-H216 PolarHBondContact O-N 3.07Å; A214-H216 VanDerWaalsContact O-N 3.16Å; H216-L220 VanDerWaalsContact O-CB 3.28Å; H216-L220 WeakPolarHBondContact O-CB 3.41Å; H216-L220 PolarHBondContact O-N 3.48Å
217	M	92	Very high	90.2	Very high	63 Å²	63	71.3 Å²	71.3	31%	0.31	40%	0.395	S	S	.	.	H	α-helix	trans	-70.7	-43.8	175	-173.4	59.8	70.8	0	0	110.6	L211 L212 A214 A219 L220 L221	L211-M217 VanDerWaalsContact O-CB 3.26Å; L211-M217 WeakPolarHBondContact O-CB 3.26Å; L212-M217 HydrophobicContact CD2-CG 4.46Å; A214-M217 HydrophobicContact CB-CB 4.22Å; A214-M217 WeakPolarHBondContact O-CB 3.27Å; A214-M217 PolarHBondContact O-N 2.66Å; M217-A219 VanDerWaalsContact C-N 3.35Å; M217-A219 PolarHBondContact O-N 2.93Å; M217-L220 PolarHBondContact O-N 2.82Å; M217-L220 HydrophobicContact SD-CD2 4.44Å; M217-L221 HydrophobicContact CG-CD1 4.17Å; M217-L221 WeakPolarHBondContact O-CG 3.42Å; M217-L221 PolarHBondContact O-N 3.31Å; M217-L221 HydrophobicContact SD-CG 4.48Å
218	Q	91.4	Very high	89.7	Confident	75 Å²	75	66.4 Å²	66.4	35%	0.35	37%	0.373	S	S	.	.	H	α-helix	trans	-62.7	-40.3	175.8	-66.3	-177	-11.8	0	0	112.2	L212 A214 L222	L212-Q218 WeakPolarHBondContact O-CG 3.31Å; L212-Q218 PolarHBondContact O-NE2 2.94Å; A214-Q218 PolarHBondContact O-N 3.19Å; Q218-L222 VanDerWaalsContact O-CB 3.29Å; Q218-L222 WeakPolarHBondContact O-CB 3.26Å; Q218-L222 PolarHBondContact O-N 3.43Å
219	A	89.4	Confident	89.3	Confident	56 Å²	56	66.6 Å²	66.6	46%	0.463	37%	0.372	S	S	.	.	H	α-helix	trans	-67.3	-37.1	174.1	0	0	0	0	0	112.6	P215 M217 A223	P215-A219 VanDerWaalsContact O-CB 3.25Å; P215-A219 WeakPolarHBondContact O-CB 3.37Å; P215-A219 PolarHBondContact O-N 3.35Å; M217-A219 VanDerWaalsContact C-N 3.35Å; M217-A219 PolarHBondContact O-N 2.93Å; A219-A223 VanDerWaalsContact O-CB 3.26Å; A219-A223 WeakPolarHBondContact O-CB 3.28Å; A219-A223 PolarHBondContact O-N 3.42Å
220	L	90.9	Very high	88.6	Confident	111 Å²	111	71.1 Å²	71.1	58%	0.581	39%	0.391	S	S	*	.	H	α-helix	trans	-66.3	-45.1	175.4	179.5	62.6	0	0	0	111.7	H216 M217 A223 H224	H216-L220 VanDerWaalsContact O-CB 3.28Å; H216-L220 WeakPolarHBondContact O-CB 3.41Å; H216-L220 PolarHBondContact O-N 3.48Å; M217-L220 PolarHBondContact O-N 2.82Å; M217-L220 HydrophobicContact SD-CD2 4.44Å; L220-A223 PolarHBondContact O-N 2.91Å; L220-H224 WeakPolarHBondContact O-CB 3.43Å; L220-H224 PolarHBondContact O-N 3.38Å
221	L	92.1	Very high	87.6	Confident	30 Å²	30	73.8 Å²	73.8	16%	0.157	39%	0.393	C	S	.	.	H	α-helix	trans	-65.1	-40.9	176.5	-67.8	170.6	0	0	0	111.7	A186 Q187 A190 M217 H224 D225	A186-L221 HydrophobicContact CB-CD2 3.8Å; Q187-L221 HydrophobicContact CB-CB 4.28Å; A190-L221 HydrophobicContact CB-CD1 3.67Å; M217-L221 HydrophobicContact CG-CD1 4.17Å; M217-L221 WeakPolarHBondContact O-CG 3.42Å; M217-L221 PolarHBondContact O-N 3.31Å; M217-L221 HydrophobicContact SD-CG 4.48Å; L221-H224 PolarHBondContact O-N 3.23Å; L221-D225 WeakPolarHBondContact O-CB 3.41Å; L221-D225 VanDerWaalsContact O-CG 3.3Å; L221-D225 PolarHBondContact O-N 3.32Å
222	L	90.8	Very high	86.5	Confident	80 Å²	80	73.4 Å²	73.4	42%	0.419	39%	0.39	S	S	.	.	H	α-helix	trans	-64.5	-39.4	173.9	177.2	63.6	0	0	0	112.3	Q218 K226	Q218-L222 VanDerWaalsContact O-CB 3.29Å; Q218-L222 WeakPolarHBondContact O-CB 3.26Å; Q218-L222 PolarHBondContact O-N 3.43Å; L222-K226 HydrophobicContact CD1-CG 4.31Å; L222-K226 WeakPolarHBondContact O-CB 3.21Å; L222-K226 VanDerWaalsContact O-CG 3.3Å; L222-K226 WeakPolarHBondContact O-CG 3.16Å; L222-K226 PolarHBondContact O-N 3.09Å
223	A	88.4	Confident	84.8	Confident	54 Å²	54	77.7 Å²	77.7	45%	0.446	41%	0.409	S	S	.	.	H	α-helix	trans	-69.3	-42.6	176.5	0	0	0	0	0	111.7	A219 L220 K226 V227	A219-A223 VanDerWaalsContact O-CB 3.26Å; A219-A223 WeakPolarHBondContact O-CB 3.28Å; A219-A223 PolarHBondContact O-N 3.42Å; L220-A223 PolarHBondContact O-N 2.91Å; A223-K226 PolarHBondContact O-N 3.28Å; A223-V227 WeakPolarHBondContact O-CG2 3.48Å; A223-V227 PolarHBondContact O-N 2.99Å
224	H	89.6	Confident	82.8	Confident	74 Å²	74	79.7 Å²	79.7	34%	0.343	43%	0.426	S	S	.	.	H	α-helix	trans	-54.2	-56.3	170.4	169	-84.5	0	0	0	110.3	I183 L220 L221 K226 V227 A228	I183-H224 PolarHBondContact O-CE1 3.34Å; I183-H224 VanDerWaalsContact O-CE1 3.29Å; L220-H224 WeakPolarHBondContact O-CB 3.43Å; L220-H224 PolarHBondContact O-N 3.38Å; L221-H224 PolarHBondContact O-N 3.23Å; H224-K226 VanDerWaalsContact C-N 3.26Å; H224-K226 PolarHBondContact O-N 2.85Å; H224-V227 PolarHBondContact O-N 3.47Å; H224-V227 VanDerWaalsContact O-N 3.13Å; H224-A228 VanDerWaalsContact O-CB 3.23Å; H224-A228 WeakPolarHBondContact O-CB 3.44Å; H224-A228 PolarHBondContact O-N 3.33Å
225	D	91.1	Very high	80.4	Confident	11 Å²	11	86.3 Å²	86.3	6%	0.059	45%	0.451	C	S	.	.	H	α-helix	trans	-64.6	-29.4	-175.9	-73	0.8	0	0	0	112.5	S184 N185 A186 Q187 L221 E229	S184-D225 WeakPolarHBondContact O-CB 3.44Å; S184-D225 VanDerWaalsContact O-CG 3.26Å; N185-D225 VanDerWaalsContact C-OD2 3.24Å; N185-D225 WeakPolarHBondContact CA-OD2 3.24Å; A186-D225 VanDerWaalsContact CB-OD1 3.32Å; A186-D225 WeakPolarHBondContact CB-OD1 3.42Å; A186-D225 VanDerWaalsContact N-CG 3.28Å; A186-D225 PolarHBondContact N-OD1 2.99Å; A186-D225 PolarHBondContact N-OD2 3.21Å; Q187-D225 WeakPolarHBondContact CB-OD2 3.34Å; Q187-D225 PolarHBondContact N-OD2 2.96Å; L221-D225 WeakPolarHBondContact O-CB 3.41Å; L221-D225 VanDerWaalsContact O-CG 3.3Å; L221-D225 PolarHBondContact O-N 3.32Å; D225-E229 WeakPolarHBondContact O-CB 3.37Å; D225-E229 PolarHBondContact O-N 2.92Å
226	K	86.3	Confident	77.7	Confident	98 Å²	98	86.4 Å²	86.4	43%	0.426	45%	0.452	S	S	.	.	H	α-helix	trans	-77	-30.6	174.2	-71.4	-67.7	139.2	-158.9	0	114.2	L222 A223 H224 E229 Q230	L222-K226 HydrophobicContact CD1-CG 4.31Å; L222-K226 WeakPolarHBondContact O-CB 3.21Å; L222-K226 VanDerWaalsContact O-CG 3.3Å; L222-K226 WeakPolarHBondContact O-CG 3.16Å; L222-K226 PolarHBondContact O-N 3.09Å; A223-K226 PolarHBondContact O-N 3.28Å; H224-K226 VanDerWaalsContact C-N 3.26Å; H224-K226 PolarHBondContact O-N 2.85Å; K226-E229 VanDerWaalsContact NZ-CD 3.34Å; K226-E229 IonicContact NZ-OE1 2.68Å; K226-E229 PolarHBondContact NZ-OE1 3.39Å; K226-E229 IonicContact NZ-OE2 2.7Å; K226-E229 PolarHBondContact NZ-OE2 3.21Å; K226-Q230 VanDerWaalsContact O-CG 3.31Å; K226-Q230 WeakPolarHBondContact O-CG 3.46Å
227	V	80	Confident	75.4	Confident	73 Å²	73	84.8 Å²	84.8	44%	0.442	45%	0.453	S	S	.	.	H	α-helix	trans	-74.3	-44.5	169.9	172.8	0	0	0	0	109.7	A223 H224 Q230 E231	A223-V227 WeakPolarHBondContact O-CG2 3.48Å; A223-V227 PolarHBondContact O-N 2.99Å; H224-V227 PolarHBondContact O-N 3.47Å; H224-V227 VanDerWaalsContact O-N 3.13Å; V227-Q230 CarbonylContact O-C 3.56Å; V227-Q230 WeakPolarHBondContact O-CA 3.34Å; V227-Q230 WeakPolarHBondContact O-CB 3.33Å; V227-Q230 PolarHBondContact O-N 2.61Å; V227-E231 HydrophobicContact CG1-CG 4.23Å; V227-E231 PolarHBondContact O-N 3.48Å
228	A	80.4	Confident	72.7	Confident	2 Å²	2	86.8 Å²	86.8	2%	0.017	47%	0.469	C	S	.	.	H	α-helix	trans	-66.7	-39.2	-179.7	0	0	0	0	0	112.8	P181 I183 H224 Q230 E231 M232	P181-A228 HydrophobicContact CB-CB 3.5Å; P181-A228 VanDerWaalsContact CB-CB 3.5Å; P181-A228 HydrophobicContact CG-CB 3.75Å; I183-A228 WeakPolarHBondContact O-CB 3.27Å; H224-A228 VanDerWaalsContact O-CB 3.23Å; H224-A228 WeakPolarHBondContact O-CB 3.44Å; H224-A228 PolarHBondContact O-N 3.33Å; A228-Q230 PolarHBondContact O-N 3.39Å; A228-E231 PolarHBondContact O-N 2.91Å; A228-M232 WeakPolarHBondContact O-CA 3.39Å; A228-M232 WeakPolarHBondContact O-CB 3.45Å; A228-M232 WeakPolarHBondContact O-CG 3.3Å; A228-M232 PolarHBondContact O-N 3.02Å
229	E	81.2	Confident	70.2	Confident	82 Å²	82	90.7 Å²	90.7	38%	0.383	49%	0.492	S	S	.	.	H	α-helix	trans	-59.1	-34.7	169.8	-178.7	-173.5	-132.4	0	0	111.5	D225 K226 Q233	D225-E229 WeakPolarHBondContact O-CB 3.37Å; D225-E229 PolarHBondContact O-N 2.92Å; K226-E229 VanDerWaalsContact NZ-CD 3.34Å; K226-E229 IonicContact NZ-OE1 2.68Å; K226-E229 PolarHBondContact NZ-OE1 3.39Å; K226-E229 IonicContact NZ-OE2 2.7Å; K226-E229 PolarHBondContact NZ-OE2 3.21Å; E229-Q233 WeakPolarHBondContact O-CG 3.28Å; E229-Q233 PolarHBondContact O-N 2.93Å
230	Q	74.2	Confident	67.8	Low	141 Å²	141	96.1 Å²	96.1	66%	0.659	51%	0.508	S	S	*	.	H	α-helix	trans	-77.2	-45.1	177.8	-72.2	176.1	6.4	0	0	112.7	K226 V227 A228 Q233	K226-Q230 VanDerWaalsContact O-CG 3.31Å; K226-Q230 WeakPolarHBondContact O-CG 3.46Å; V227-Q230 CarbonylContact O-C 3.56Å; V227-Q230 WeakPolarHBondContact O-CA 3.34Å; V227-Q230 WeakPolarHBondContact O-CB 3.33Å; V227-Q230 PolarHBondContact O-N 2.61Å; A228-Q230 PolarHBondContact O-N 3.39Å; Q230-Q233 PolarHBondContact O-N 3.4Å
231	E	69.3	Low	65.3	Low	120 Å²	120	99.3 Å²	99.3	56%	0.561	52%	0.517	S	S	*	.	H	α-helix	trans	-76.1	-20.6	-179.8	-68.6	180	169.6	0	0	113.4	P181 V227 A228	P181-E231 WeakPolarHBondContact CD-OE2 3.09Å; P181-E231 HydrophobicContact CG-CB 3.79Å; P181-E231 WeakPolarHBondContact CG-OE2 3.36Å; V227-E231 HydrophobicContact CG1-CG 4.23Å; V227-E231 PolarHBondContact O-N 3.48Å; A228-E231 PolarHBondContact O-N 2.91Å
232	M	70.8	Confident	63	Low	87 Å²	87	104.3 Å²	104.3	43%	0.429	54%	0.543	S	S	.	.	T	Hydrogen-bonded Turn	trans	-96.3	-1.7	171.6	-58.9	179.3	79	0	0	113.4	P181 I183 A228	P181-M232 HydrophobicContact CB-CG 4.15Å; P181-M232 HydrophobicContact CB-SD 4.07Å; P181-M232 HydrophobicContact CG-CG 4.04Å; I183-M232 VanDerWaalsContact C-SD 3.55Å; A228-M232 WeakPolarHBondContact O-CA 3.39Å; A228-M232 WeakPolarHBondContact O-CB 3.45Å; A228-M232 WeakPolarHBondContact O-CG 3.3Å; A228-M232 PolarHBondContact O-N 3.02Å
233	Q	55.8	Low	60.5	Low	115 Å²	115	105.7 Å²	105.7	54%	0.537	54%	0.543	S	S	.	.	S	Bend	trans	-67.7	130	159.7	-58	-132.3	-9.9	0	0	106.8	E229 Q230 E235	E229-Q233 WeakPolarHBondContact O-CG 3.28Å; E229-Q233 PolarHBondContact O-N 2.93Å; Q230-Q233 PolarHBondContact O-N 3.4Å; Q233-E235 PolarHBondContact O-N 3.25Å
234	P	49.1	Very low	58.3	Low	116 Å²	116	111 Å²	111	75%	0.753	56%	0.559	S	S	*	*	P	Polyproline II helix	trans	-56.3	133.1	160.1	27.4	-32.6	0	0	0	106.7	P236	P234-P236 VanDerWaalsContact O-N 3.11Å
235	E	42.7	Very low	56.1	Low	171 Å²	171	114 Å²	114	80%	0.799	58%	0.577	S	S	*	*	P	Polyproline II helix	trans	-49	126.9	-179.5	-77	-161.2	141.9	0	0	108.7	Q233 V237	Q233-E235 PolarHBondContact O-N 3.25Å; E235-V237 PolarHBondContact O-N 3.39Å
236	P	36.2	Very low	53.9	Low	93 Å²	93	116.7 Å²	116.7	60%	0.604	59%	0.594	S	S	*	*	P	Polyproline II helix	trans	-58.2	130	-179.9	24.7	-33.3	0	0	0	107.3	P234 T238	P234-P236 VanDerWaalsContact O-N 3.11Å; P236-T238 PolarHBondContact O-N 2.99Å
237	V	41.1	Very low	52.2	Low	129 Å²	129	113.2 Å²	113.2	78%	0.782	59%	0.586	S	S	*	*			trans	-70.5	78.3	-179.8	-173.5	0	0	0	0	108.7	E235	E235-V237 PolarHBondContact O-N 3.39Å
238	T	35	Very low	50.5	Low	105 Å²	105	115.5 Å²	115.5	64%	0.644	59%	0.593	S	S	*	*			trans	-80.9	114.2	162	53.4	0	0	0	0	106.3	P236 E240	P236-T238 PolarHBondContact O-N 2.99Å; T238-E240 PolarHBondContact O-N 2.75Å
239	D	40.4	Very low	49	Very low	156 Å²	156	121.4 Å²	121.4	83%	0.834	62%	0.616	S	S	*	*	T	Hydrogen-bonded Turn	trans	-67.2	31.2	-165.8	-55.1	-69.8	0	0	0	116.1
240	E	38.8	Very low	47.8	Very low	171 Å²	171	122.2 Å²	122.2	80%	0.799	65%	0.647	S	S	*	*	T	Hydrogen-bonded Turn	trans	-117.4	-17.9	-172.2	-64.8	-161.4	149.8	0	0	115.6	T238	T238-E240 PolarHBondContact O-N 2.75Å
241	K	38.3	Very low	47.2	Very low	178 Å²	178	118.1 Å²	118.1	77%	0.774	64%	0.642	S	S	*	*	S	Bend	trans	-147.6	69.1	-171.9	-65.6	-176	-173.1	159.5	0	116.6
242	I	42.6	Very low	47.2	Very low	135 Å²	135	117.8 Å²	117.8	69%	0.692	64%	0.64	S	S	*	*	S	Bend	trans	176.3	127.7	132.4	-93.2	153.9	0	0	0	107.5
243	Y	39	Very low	47.6	Very low	109 Å²	109	117.4 Å²	117.4	43%	0.427	64%	0.643	S	S	.	*			trans	63.6	144.6	-153.5	-38.8	-60.9	0	0	0	110.3	I256 V257 L294	Y243-I256 WeakPolarHBondContact CD1-O 3.46Å; Y243-I256 WeakPolarHBondContact CE1-O 3.43Å; Y243-V257 HydrophobicContact CE1-CG1 4.08Å; Y243-L294 HydrophobicContact CE2-CD2 4.1Å; Y243-L294 VanDerWaalsContact OH-CD1 3.32Å; Y243-L294 WeakPolarHBondContact OH-CD1 3.43Å; Y243-L294 WeakPolarHBondContact OH-CD2 3.3Å
244	E	42	Very low	49.1	Very low	164 Å²	164	112.3 Å²	112.3	77%	0.766	62%	0.62	S	S	*	*			cis	-116.6	143.1	18.8	-61.5	179.5	146	0	0	114.2	V246	E244-V246 HydrophobicContact CB-CG2 4.02Å; E244-V246 HydrophobicContact CG-CG2 4.23Å
245	N	43.4	Very low	50.9	Low	137 Å²	137	109.1 Å²	109.1	73%	0.733	59%	0.594	S	S	*	*			trans	-119.7	82.6	144.2	-95.8	-36.1	0	0	0	105.8	G247	N245-G247 VanDerWaalsContact C-N 3.27Å; N245-G247 PolarHBondContact O-N 2.85Å
246	V	44.3	Very low	53.1	Low	68 Å²	68	103.8 Å²	103.8	41%	0.412	57%	0.57	S	S	.	*			trans	-68.3	92.1	171.3	-178.8	0	0	0	0	107.9	E244 T253	E244-V246 HydrophobicContact CB-CG2 4.02Å; E244-V246 HydrophobicContact CG-CG2 4.23Å; V246-T253 HydrophobicContact CG1-CG2 3.75Å
247	G	50.8	Low	55.8	Low	25 Å²	25	99.4 Å²	99.4	26%	0.258	54%	0.542	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-68.2	144.3	166.9	0	0	0	0	0	110	N245 V254	N245-G247 VanDerWaalsContact C-N 3.27Å; N245-G247 PolarHBondContact O-N 2.85Å; G247-V254 PolarHBondContact O-N 2.66Å
248	M	45.1	Very low	58.2	Low	121 Å²	121	101.3 Å²	101.3	60%	0.596	54%	0.535	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-94.7	94.5	164.2	-67.2	-94.6	72.6	0	0	107.9	G251 E252 T253	M248-G251 WeakPolarHBondContact CE-O 3.32Å; M248-E252 VanDerWaalsContact CE-C 3.4Å; M248-E252 VanDerWaalsContact CE-O 3.31Å; M248-E252 WeakPolarHBondContact CE-O 3.32Å; M248-T253 HydrophobicContact CE-CG2 3.9Å
249	Y	47.8	Very low	60.9	Low	127 Å²	127	96.6 Å²	96.6	50%	0.498	51%	0.506	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.2	120.2	168.9	-115.4	-122.3	0	0	0	107.5	G251 E252 E303	Y249-G251 PolarHBondContact O-N 3.03Å; Y249-E252 PolarHBondContact N-O 3.11Å; Y249-E252 PolarHBondContact O-N 3.45Å; Y249-E303 VanDerWaalsContact CE1-OE1 3.28Å; Y249-E303 WeakPolarHBondContact CE1-OE1 3.44Å; Y249-E303 VanDerWaalsContact CZ-OE1 3.26Å; Y249-E303 PolarHBondContact OH-OE1 2.7Å
250	G	56.6	Low	63.2	Low	99 Å²	99	94.6 Å²	94.6	100%	1.021	49%	0.491	S	S	*	.	T	Hydrogen-bonded Turn	trans	65.9	-21.8	-176.7	0	0	0	0	0	116.8
251	G	62.3	Low	65.5	Low	54 Å²	54	86.9 Å²	86.9	56%	0.557	46%	0.455	S	S	*	.	T	Hydrogen-bonded Turn	trans	129.6	-3.8	-170.1	0	0	0	0	0	113.5	M248 Y249	M248-G251 WeakPolarHBondContact CE-O 3.32Å; Y249-G251 PolarHBondContact O-N 3.03Å
252	E	69.1	Low	67.8	Low	113 Å²	113	81 Å²	81	53%	0.528	44%	0.44	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.2	150.3	-174.9	-64	176.6	145.9	0	0	111.6	M248 Y249 V254 I333	M248-E252 VanDerWaalsContact CE-C 3.4Å; M248-E252 VanDerWaalsContact CE-O 3.31Å; M248-E252 WeakPolarHBondContact CE-O 3.32Å; Y249-E252 PolarHBondContact N-O 3.11Å; Y249-E252 PolarHBondContact O-N 3.45Å; E252-V254 PolarHBondContact O-N 3.33Å; E252-I333 WeakPolarHBondContact OE2-CD1 3.32Å
253	T	79.3	Confident	69.7	Low	80 Å²	80	82.2 Å²	82.2	49%	0.491	44%	0.435	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.6	105.1	-173.4	51.2	0	0	0	0	111.1	V246 M248 P334	V246-T253 HydrophobicContact CG1-CG2 3.75Å; M248-T253 HydrophobicContact CE-CG2 3.9Å; T253-P334 WeakPolarHBondContact O-CD 3.35Å
254	V	86.2	Confident	71.8	Confident	7 Å²	7	81.7 Å²	81.7	4%	0.042	44%	0.44	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.4	143.3	-178.3	-54.7	0	0	0	0	113.4	G247 E252 I256 L302 V331 L332	G247-V254 PolarHBondContact O-N 2.66Å; E252-V254 PolarHBondContact O-N 3.33Å; V254-I256 HydrophobicContact CG2-CG1 4.4Å; V254-L302 HydrophobicContact CG1-CD1 3.61Å; V254-V331 HydrophobicContact CB-CG1 3.85Å; V254-V331 HydrophobicContact CG1-CG1 4.17Å; V254-V331 HydrophobicContact CG2-CG1 3.87Å; V254-L332 CarbonylContact C-O 3.53Å; V254-L332 VanDerWaalsContact CA-O 3.23Å; V254-L332 WeakPolarHBondContact CA-O 3.2Å; V254-L332 WeakPolarHBondContact CB-O 3.43Å
255	K	88.3	Confident	73.8	Confident	49 Å²	49	77.9 Å²	77.9	21%	0.213	42%	0.424	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.5	115.7	173.2	-175.1	-161.7	-172.6	-174.5	0	108.6	V257 L294 L332 P334	K255-V257 HydrophobicContact CD-CG1 3.96Å; K255-V257 HydrophobicContact CG-CG1 3.93Å; K255-L294 PolarHBondContact NZ-O 2.71Å; K255-L332 HydrophobicContact CB-CB 4.45Å; K255-L332 PolarHBondContact N-O 2.86Å; K255-L332 WeakPolarHBondContact O-CB 3.37Å; K255-L332 PolarHBondContact O-N 3.45Å; K255-P334 HydrophobicContact CB-CB 4.48Å; K255-P334 HydrophobicContact CB-CG 4.43Å; K255-P334 HydrophobicContact CD-CB 4.39Å
256	I	88.9	Confident	76	Confident	59 Å²	59	75.2 Å²	75.2	30%	0.303	41%	0.414	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.3	119.1	177.3	-53.2	178.9	0	0	0	109.1	Y243 V254 T329 F330 V331	Y243-I256 WeakPolarHBondContact CD1-O 3.46Å; Y243-I256 WeakPolarHBondContact CE1-O 3.43Å; V254-I256 HydrophobicContact CG2-CG1 4.4Å; I256-T329 HydrophobicContact CG2-CG2 3.67Å; I256-F330 WeakPolarHBondContact CA-O 3.4Å; I256-V331 HydrophobicContact CG1-CG1 4.49Å; I256-V331 HydrophobicContact CG1-CG2 4.37Å
257	V	92.3	Very high	78.3	Confident	1 Å²	1	72.8 Å²	72.8	1%	0.006	40%	0.399	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.1	159	-178.6	-59	0	0	0	0	112	Y243 K255 L294 L295 T329 F330 L332	Y243-V257 HydrophobicContact CE1-CG1 4.08Å; K255-V257 HydrophobicContact CD-CG1 3.96Å; K255-V257 HydrophobicContact CG-CG1 3.93Å; V257-L294 HydrophobicContact CB-CB 4.05Å; V257-L294 HydrophobicContact CB-CD1 4.13Å; V257-L294 HydrophobicContact CG1-CB 4.13Å; V257-L294 HydrophobicContact CG2-CB 4.35Å; V257-L295 HydrophobicContact CG2-CD2 4.07Å; V257-T329 CarbonylContact O-C 2.95Å; V257-T329 WeakPolarHBondContact O-CA 3.46Å; V257-F330 HydrophobicContact CG2-CB 3.8Å; V257-F330 HydrophobicContact CG2-CD2 4.42Å; V257-F330 HydrophobicContact CG2-CG 4.43Å; V257-F330 PolarHBondContact N-O 3.03Å; V257-F330 PolarHBondContact O-N 3.17Å; V257-L332 HydrophobicContact CG2-CD1 3.75Å; V257-L332 HydrophobicContact CG2-CG 4.46Å
258	R	91.4	Very high	80.2	Confident	170 Å²	170	71.7 Å²	71.7	64%	0.642	39%	0.388	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-130	130.6	179.1	-65.4	-172.2	-177.4	120.8	2.7	111.6	L294 T327 L328 T329	R258-L294 VanDerWaalsContact O-CD1 3.28Å; R258-L294 WeakPolarHBondContact O-CD1 3.48Å; R258-T327 HydrophobicContact CB-CG2 4.16Å; R258-T327 HydrophobicContact CG-CG2 4.48Å; R258-L328 CarbonylContact C-O 3.48Å; R258-L328 VanDerWaalsContact CA-O 3.31Å; R258-L328 WeakPolarHBondContact CA-O 3.36Å; R258-T329 HydrophobicContact CG-CG2 4.18Å
259	I	92.1	Very high	82.6	Confident	6 Å²	6	67.6 Å²	67.6	3%	0.031	37%	0.373	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-139	132.6	-176	-51.6	172	0	0	0	109	L267 A288 L294 L295 L328 F330	I259-L267 HydrophobicContact CD1-CD2 4.48Å; I259-L267 HydrophobicContact CG2-CD1 3.9Å; I259-A288 HydrophobicContact CG2-CB 4.23Å; I259-L294 HydrophobicContact CD1-CB 4.3Å; I259-L294 HydrophobicContact CG1-CB 4.44Å; I259-L294 HydrophobicContact CG1-CD1 4.16Å; I259-L295 HydrophobicContact CD1-CD1 3.73Å; I259-L295 HydrophobicContact CD1-CD2 3.92Å; I259-L295 HydrophobicContact CD1-CG 3.5Å; I259-L328 PolarHBondContact N-O 2.82Å; I259-L328 PolarHBondContact O-N 2.86Å; I259-F330 HydrophobicContact CB-CE2 4.49Å; I259-F330 HydrophobicContact CD1-CD2 4.33Å; I259-F330 HydrophobicContact CD1-CE2 4.15Å
260	E	88.8	Confident	84.7	Confident	113 Å²	113	62.9 Å²	62.9	53%	0.528	36%	0.357	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.7	122.8	174.9	-70.9	-56.5	138	0	0	111.3	T327	E260-T327 WeakPolarHBondContact OE1-CA 2.98Å; E260-T327 WeakPolarHBondContact OE1-CB 3.14Å; E260-T327 WeakPolarHBondContact OE1-CG2 3.44Å; E260-T327 PolarHBondContact OE1-OG1 3.14Å; E260-T327 PolarHBondContact OE2-N 2.9Å; E260-T327 VanDerWaalsContact OE2-N 3.08Å
261	K	87.4	Confident	86.5	Confident	10 Å²	10	60.4 Å²	60.4	4%	0.043	32%	0.322	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.6	114.8	170.8	-179.6	168.2	-179.7	-70.2	0	110.7	I265 L267 L321 A322 M324 H325 G326 L328	K261-I265 VanDerWaalsContact CE-O 3.23Å; K261-I265 WeakPolarHBondContact CE-O 3.49Å; K261-I265 PolarHBondContact NZ-O 2.76Å; K261-L267 HydrophobicContact CB-CD1 3.95Å; K261-L267 HydrophobicContact CD-CD1 4.48Å; K261-L267 HydrophobicContact CG-CD1 4.34Å; K261-L321 WeakPolarHBondContact CE-O 3.31Å; K261-L321 PolarHBondContact NZ-O 3.37Å; K261-A322 PolarHBondContact NZ-O 2.85Å; K261-M324 WeakPolarHBondContact CD-O 3.31Å; K261-M324 PolarHBondContact NZ-O 3.44Å; K261-H325 CarbonylContact O-C 3.53Å; K261-H325 WeakPolarHBondContact O-CA 3.21Å; K261-G326 PolarHBondContact N-O 2.82Å; K261-G326 PolarHBondContact O-N 3.29Å; K261-L328 HydrophobicContact CB-CD1 3.75Å; K261-L328 HydrophobicContact CB-CG 3.9Å; K261-L328 HydrophobicContact CD-CD1 3.82Å; K261-L328 HydrophobicContact CG-CD1 4.41Å
262	A	86.1	Confident	87.9	Confident	54 Å²	54	61.9 Å²	61.9	45%	0.446	31%	0.311	S	S	.	.			trans	-63.4	148.6	168.9	0	0	0	0	0	111.3	I265	A262-I265 HydrophobicContact CB-CB 4.14Å; A262-I265 HydrophobicContact CB-CD1 3.95Å; A262-I265 HydrophobicContact CB-CG1 4.38Å
263	R	83.3	Confident	89.1	Confident	160 Å²	160	59.1 Å²	59.1	60%	0.604	30%	0.3	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64.4	140.8	177.4	-169.5	-175.8	-71.8	160.7	-0.6	110.2	I265 H325	R263-I265 PolarHBondContact O-N 3.01Å; R263-H325 HydrophobicContact CB-CB 4.11Å; R263-H325 HydrophobicContact CG-CB 4.5Å; R263-H325 PolarHBondContact NE-NE2 3.38Å; R263-H325 PolarHBondContact NH2-NE2 2.86Å
264	D	82.1	Confident	89.8	Confident	98 Å²	98	60 Å²	60	52%	0.524	30%	0.299	S	S	.	.	T	Hydrogen-bonded Turn	trans	58.4	6	178.8	-47.4	-43.6	0	0	0	116.3
265	I	85	Confident	90	Very high	85 Å²	85	68.5 Å²	68.5	44%	0.436	34%	0.34	S	S	.	.	S	Bend	trans	-106.9	129	175.2	-63.2	177.9	0	0	0	108.7	K261 A262 R263	K261-I265 VanDerWaalsContact CE-O 3.23Å; K261-I265 WeakPolarHBondContact CE-O 3.49Å; K261-I265 PolarHBondContact NZ-O 2.76Å; A262-I265 HydrophobicContact CB-CB 4.14Å; A262-I265 HydrophobicContact CB-CD1 3.95Å; A262-I265 HydrophobicContact CB-CG1 4.38Å; R263-I265 PolarHBondContact O-N 3.01Å
266	P	89.3	Confident	90	Very high	80 Å²	80	69.8 Å²	69.8	52%	0.519	35%	0.35	S	S	.	.			trans	-69.3	151.1	175.5	-14.2	28.2	0	0	0	111.8	G268 L403	P266-G268 PolarHBondContact O-N 3.4Å; P266-L403 HydrophobicContact CB-CD1 3.91Å; P266-L403 HydrophobicContact CG-CD1 4.1Å
267	L	91.3	Very high	90.2	Very high	17 Å²	17	67.5 Å²	67.5	9%	0.089	34%	0.339	C	S	.	.			trans	-65.1	-24.3	-176.2	-158.2	76.1	0	0	0	113.5	I259 K261 G287 A288 A289 L295 L328 F330	I259-L267 HydrophobicContact CD1-CD2 4.48Å; I259-L267 HydrophobicContact CG2-CD1 3.9Å; K261-L267 HydrophobicContact CB-CD1 3.95Å; K261-L267 HydrophobicContact CD-CD1 4.48Å; K261-L267 HydrophobicContact CG-CD1 4.34Å; L267-G287 CarbonylContact O-C 3.56Å; L267-A288 HydrophobicContact CD1-CB 4.14Å; L267-A288 PolarHBondContact O-N 2.86Å; L267-A289 HydrophobicContact CD2-CB 4.15Å; L267-A289 HydrophobicContact CG-CB 4.05Å; L267-A289 WeakPolarHBondContact O-CB 3.47Å; L267-A289 PolarHBondContact O-N 2.83Å; L267-L295 HydrophobicContact CD2-CD1 3.78Å; L267-L328 HydrophobicContact CD1-CD1 4.37Å; L267-F330 HydrophobicContact CD2-CE2 4.13Å; L267-F330 HydrophobicContact CD2-CZ 3.71Å
268	G	92.5	Very high	90.4	Very high	3 Å²	3	67.5 Å²	67.5	3%	0.031	34%	0.338	C	S	.	.	S	Bend	trans	83.5	41.7	-172.4	0	0	0	0	0	113.4	P266 V284	P266-G268 PolarHBondContact O-N 3.4Å; G268-V284 WeakPolarHBondContact O-CA 3.23Å; G268-V284 WeakPolarHBondContact O-CB 3.44Å; G268-V284 PolarHBondContact O-N 3.5Å
269	A	93.9	Very high	90.5	Very high	34 Å²	34	60.1 Å²	60.1	28%	0.281	31%	0.312	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.3	148.5	166.7	0	0	0	0	0	109	I280 R282 I283 A289 L295	A269-I280 HydrophobicContact CB-CG2 4.46Å; A269-R282 CarbonylContact C-O 3.6Å; A269-R282 VanDerWaalsContact CA-O 3.28Å; A269-R282 WeakPolarHBondContact CA-O 3.22Å; A269-I283 HydrophobicContact CB-CD1 4.01Å; A269-A289 HydrophobicContact CB-CB 4.01Å; A269-L295 HydrophobicContact CB-CD1 4.38Å
270	T	93	Very high	90.6	Very high	28 Å²	28	60 Å²	60	17%	0.172	31%	0.311	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.3	153.5	169.7	71.5	0	0	0	0	110.5	S281 R282 V284 C366 L369	T270-S281 PolarHBondContact O-N 2.86Å; T270-R282 PolarHBondContact N-O 2.89Å; T270-R282 PolarHBondContact O-N 3.12Å; T270-R282 WeakPolarHBondContact OG1-CB 3.42Å; T270-R282 PolarHBondContact OG1-N 2.59Å; T270-V284 HydrophobicContact CG2-CG2 4.41Å; T270-C366 HydrophobicContact CG2-CB 4.22Å; T270-L369 HydrophobicContact CG2-CD1 3.47Å; T270-L369 VanDerWaalsContact CG2-CD1 3.47Å
271	V	94	Very high	90.8	Very high	47 Å²	47	56.8 Å²	56.8	29%	0.285	30%	0.301	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.8	155.9	177	-71.4	0	0	0	0	110.8	V278 I279 V314 V317	V271-V278 HydrophobicContact CB-CG1 3.85Å; V271-V278 HydrophobicContact CG1-CG1 3.97Å; V271-V278 HydrophobicContact CG2-CG1 4.27Å; V271-I279 CarbonylContact C-O 3.57Å; V271-I279 VanDerWaalsContact CA-O 3.27Å; V271-I279 WeakPolarHBondContact CA-O 3.43Å; V271-V314 HydrophobicContact CB-CG1 4.38Å; V271-V314 HydrophobicContact CG2-CB 4.37Å; V271-V314 HydrophobicContact CG2-CG1 3.86Å; V271-V317 HydrophobicContact CG2-CG1 4.39Å
272	R	92.7	Very high	91	Very high	85 Å²	85	57.4 Å²	57.4	32%	0.321	30%	0.303	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.5	152.6	167.9	69.1	177.3	-176	-86.3	-5.8	109.5	E274 I279 S281	R272-E274 IonicContact CZ-OE2 2.7Å; R272-E274 IonicContact NE-OE2 3.23Å; R272-E274 PolarHBondContact NE-OE2 2.87Å; R272-E274 IonicContact NH2-OE2 3.87Å; R272-E274 PolarHBondContact NH2-OE2 3.23Å; R272-I279 HydrophobicContact CG-CB 4.19Å; R272-I279 PolarHBondContact N-O 3.31Å; R272-I279 PolarHBondContact O-N 2.9Å; R272-S281 PolarHBondContact NH1-OG 2.91Å
273	N	93.9	Very high	91.4	Very high	55 Å²	55	56 Å²	56	29%	0.294	29%	0.288	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-79	138.7	162.9	-78.1	108.4	0	0	0	110	S277 K312 D313 V314	N273-S277 WeakPolarHBondContact CA-O 3.15Å; N273-K312 PolarHBondContact ND2-O 3.02Å; N273-D313 WeakPolarHBondContact OD1-CA 3.33Å; N273-V314 WeakPolarHBondContact OD1-CG1 3.35Å; N273-V314 PolarHBondContact OD1-N 3.39Å
274	E	92.8	Very high	91.9	Very high	99 Å²	99	48.4 Å²	48.4	46%	0.463	26%	0.26	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.7	98.1	171.2	-160.5	161.7	145.9	0	0	107.2	R272 D276 S277 I279	R272-E274 IonicContact CZ-OE2 2.7Å; R272-E274 IonicContact NE-OE2 3.23Å; R272-E274 PolarHBondContact NE-OE2 2.87Å; R272-E274 IonicContact NH2-OE2 3.87Å; R272-E274 PolarHBondContact NH2-OE2 3.23Å; E274-D276 PolarHBondContact O-N 3.02Å; E274-S277 PolarHBondContact N-O 2.72Å; E274-S277 WeakPolarHBondContact O-CB 3.45Å; E274-S277 PolarHBondContact O-N 2.94Å; E274-I279 HydrophobicContact CB-CG1 3.66Å
275	M	90.7	Very high	92.3	Very high	185 Å²	185	45.3 Å²	45.3	91%	0.911	24%	0.241	S	C	*	.	T	Hydrogen-bonded Turn	trans	57.3	-122.4	-162.3	-48.3	-170.8	-158.5	0	0	111.5
276	D	89.6	Confident	92.5	Very high	77 Å²	77	42 Å²	42	41%	0.412	23%	0.229	S	C	.	.	T	Hydrogen-bonded Turn	trans	-87.2	-10.4	174.1	64.6	-46.7	0	0	0	113.4	E274 R310 G311	E274-D276 PolarHBondContact O-N 3.02Å; D276-R310 VanDerWaalsContact CG-NH2 3.31Å; D276-R310 IonicContact OD1-CZ 3.37Å; D276-R310 IonicContact OD1-NH2 2.68Å; D276-R310 PolarHBondContact OD1-NH2 3.47Å; D276-R310 VanDerWaalsContact OD1-NH2 3.1Å; D276-R310 IonicContact OD2-CZ 3.42Å; D276-R310 VanDerWaalsContact OD2-CZ 3.23Å; D276-R310 IonicContact OD2-NE 2.71Å; D276-R310 PolarHBondContact OD2-NE 3Å; D276-R310 IonicContact OD2-NH2 3.22Å; D276-R310 PolarHBondContact OD2-NH2 2.9Å; D276-G311 PolarHBondContact O-N 3.35Å
277	S	92.9	Very high	92.5	Very high	11 Å²	11	38.4 Å²	38.4	8%	0.077	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.9	150.9	-180	-64.2	0	0	0	0	112.3	N273 E274 E300 R310	N273-S277 WeakPolarHBondContact CA-O 3.15Å; E274-S277 PolarHBondContact N-O 2.72Å; E274-S277 WeakPolarHBondContact O-CB 3.45Å; E274-S277 PolarHBondContact O-N 2.94Å; S277-E300 VanDerWaalsContact CB-CD 3.47Å; S277-E300 WeakPolarHBondContact CB-OE2 3.06Å; S277-E300 PolarHBondContact OG-OE1 2.84Å; S277-E300 PolarHBondContact OG-OE2 3.33Å; S277-R310 PolarHBondContact OG-NH1 2.76Å
278	V	95.1	Very high	92.5	Very high	0 Å²	0	39.2 Å²	39.2	0%	0	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.2	108.4	173.4	177.6	0	0	0	0	108.1	V271 V301 I309 V317	V271-V278 HydrophobicContact CB-CG1 3.85Å; V271-V278 HydrophobicContact CG1-CG1 3.97Å; V271-V278 HydrophobicContact CG2-CG1 4.27Å; V278-V301 PolarHBondContact O-N 2.9Å; V278-I309 HydrophobicContact CB-CG2 3.82Å; V278-I309 HydrophobicContact CG1-CG2 4.01Å; V278-I309 HydrophobicContact CG2-CG2 3.83Å; V278-I309 WeakPolarHBondContact CG2-O 3.32Å; V278-V317 HydrophobicContact CG1-CG2 4.42Å; V278-V317 HydrophobicContact CG2-CG2 4.29Å
279	I	94.6	Very high	92.5	Very high	15 Å²	15	39 Å²	39	8%	0.077	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105	133.2	-172.1	-48.7	-58.1	0	0	0	110.3	V271 R272 E274 S281 E300	V271-I279 CarbonylContact C-O 3.57Å; V271-I279 VanDerWaalsContact CA-O 3.27Å; V271-I279 WeakPolarHBondContact CA-O 3.43Å; R272-I279 HydrophobicContact CG-CB 4.19Å; R272-I279 PolarHBondContact N-O 3.31Å; R272-I279 PolarHBondContact O-N 2.9Å; E274-I279 HydrophobicContact CB-CG1 3.66Å; I279-S281 PolarHBondContact O-N 3.11Å; I279-E300 HydrophobicContact CD1-CB 3.63Å; I279-E300 HydrophobicContact CD1-CG 3.88Å
280	I	94.6	Very high	92.3	Very high	4 Å²	4	39.6 Å²	39.6	2%	0.021	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-64.9	116.8	171.4	-58.4	-173.2	0	0	0	108.4	A269 I283 L295 H296 G298 D299 V301	A269-I280 HydrophobicContact CB-CG2 4.46Å; I280-I283 HydrophobicContact CG2-CD1 3.83Å; I280-L295 HydrophobicContact CD1-CB 3.89Å; I280-L295 HydrophobicContact CD1-CD1 4.05Å; I280-L295 HydrophobicContact CD1-CD2 3.73Å; I280-L295 HydrophobicContact CD1-CG 4.08Å; I280-H296 WeakPolarHBondContact CB-O 3.33Å; I280-H296 WeakPolarHBondContact CG2-O 3.31Å; I280-G298 PolarHBondContact O-N 3.42Å; I280-D299 HydrophobicContact CD1-CB 4.08Å; I280-D299 HydrophobicContact CG1-CB 4.37Å; I280-D299 PolarHBondContact N-O 3.4Å; I280-V301 HydrophobicContact CD1-CG2 4.16Å; I280-V301 HydrophobicContact CG1-CG2 3.78Å
281	S	91.8	Very high	92.1	Very high	46 Å²	46	45.8 Å²	45.8	32%	0.322	23%	0.234	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-106	-19.9	-170.1	-159.3	0	0	0	0	114.6	T270 R272 I279	T270-S281 PolarHBondContact O-N 2.86Å; R272-S281 PolarHBondContact NH1-OG 2.91Å; I279-S281 PolarHBondContact O-N 3.11Å
282	R	92.6	Very high	91.9	Very high	22 Å²	22	45.4 Å²	45.4	8%	0.083	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-155.3	143.6	170.4	-165.1	-178.6	-61.5	-82.8	1.3	111	A269 T270 E297 D386	A269-R282 CarbonylContact C-O 3.6Å; A269-R282 VanDerWaalsContact CA-O 3.28Å; A269-R282 WeakPolarHBondContact CA-O 3.22Å; T270-R282 PolarHBondContact N-O 2.89Å; T270-R282 PolarHBondContact O-N 3.12Å; T270-R282 WeakPolarHBondContact OG1-CB 3.42Å; T270-R282 PolarHBondContact OG1-N 2.59Å; R282-E297 VanDerWaalsContact CA-OE1 3.25Å; R282-E297 WeakPolarHBondContact CA-OE1 3.4Å; R282-E297 WeakPolarHBondContact CG-OE1 3.44Å; R282-D386 IonicContact CZ-OD2 3.43Å; R282-D386 VanDerWaalsContact NH1-CB 3.3Å; R282-D386 IonicContact NH1-OD2 3.11Å; R282-D386 PolarHBondContact NH1-OD2 2.84Å; R282-D386 IonicContact NH2-OD2 2.81Å; R282-D386 PolarHBondContact NH2-OD2 3.48Å
283	I	93.7	Very high	91.7	Very high	24 Å²	24	43.6 Å²	43.6	12%	0.123	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.5	127.5	163.9	-59.6	-58.6	0	0	0	109.5	A269 I280 E290 L295 E297 Q391	A269-I283 HydrophobicContact CB-CD1 4.01Å; I280-I283 HydrophobicContact CG2-CD1 3.83Å; I283-E290 HydrophobicContact CG2-CB 3.55Å; I283-E290 HydrophobicContact CG2-CG 3.86Å; I283-L295 HydrophobicContact CD1-CB 3.7Å; I283-L295 WeakPolarHBondContact CD1-O 3.33Å; I283-E297 HydrophobicContact CG1-CG 4Å; I283-E297 PolarHBondContact N-OE1 3.49Å; I283-Q391 PolarHBondContact O-NE2 2.92Å
284	V	93.9	Very high	91.6	Very high	2 Å²	2	42.5 Å²	42.5	1%	0.012	24%	0.236	C	C	.	.	P	Polyproline II helix	trans	-101.4	121.2	-175	-172.4	0	0	0	0	110.3	G268 T270 G287 E290 L369 L403 A404	G268-V284 WeakPolarHBondContact O-CA 3.23Å; G268-V284 WeakPolarHBondContact O-CB 3.44Å; G268-V284 PolarHBondContact O-N 3.5Å; T270-V284 HydrophobicContact CG2-CG2 4.41Å; V284-G287 PolarHBondContact O-N 3.17Å; V284-E290 WeakPolarHBondContact O-CB 3.49Å; V284-L369 HydrophobicContact CG1-CD2 4.35Å; V284-L369 HydrophobicContact CG2-CD1 3.69Å; V284-L403 HydrophobicContact CG1-CB 4.09Å; V284-L403 HydrophobicContact CG1-CD2 4.49Å; V284-A404 VanDerWaalsContact CG1-O 3.27Å; V284-A404 WeakPolarHBondContact CG1-O 3.41Å
285	K	91.3	Very high	91.6	Very high	33 Å²	33	38.2 Å²	38.2	14%	0.143	22%	0.216	C	C	.	.	T	Hydrogen-bonded Turn	trans	-59.9	141	-178.6	-74.3	-82.7	155.5	-170	0	112.2	G287 E290 E345 I382 Y393 A404	K285-G287 VanDerWaalsContact C-N 3.28Å; K285-E290 HydrophobicContact CD-CG 4.03Å; K285-E290 WeakPolarHBondContact CD-OE1 3.42Å; K285-E290 WeakPolarHBondContact CE-OE1 3.37Å; K285-E290 IonicContact NZ-OE1 3.43Å; K285-E290 PolarHBondContact NZ-OE1 3.28Å; K285-E345 IonicContact NZ-OE1 2.66Å; K285-E345 PolarHBondContact NZ-OE1 2.87Å; K285-I382 HydrophobicContact CB-CD1 3.42Å; K285-I382 VanDerWaalsContact CB-CD1 3.42Å; K285-I382 HydrophobicContact CB-CG1 4.13Å; K285-I382 HydrophobicContact CG-CD1 4.04Å; K285-I382 HydrophobicContact CG-CG1 4.24Å; K285-Y393 PolarHBondContact O-OH 2.71Å; K285-A404 HydrophobicContact CB-CB 4.1Å; K285-A404 PolarHBondContact O-N 3.42Å
286	G	88.1	Confident	91.6	Very high	16 Å²	16	33.6 Å²	33.6	17%	0.165	19%	0.192	C	C	.	.	T	Hydrogen-bonded Turn	trans	87	-15.1	-173.8	0	0	0	0	0	114.3	E290 K291	G286-E290 PolarHBondContact N-OE2 3.47Å; G286-K291 VanDerWaalsContact O-CE 3.29Å; G286-K291 WeakPolarHBondContact O-CE 3.43Å; G286-K291 PolarHBondContact O-NZ 3.42Å
287	G	90.1	Very high	91.7	Very high	3 Å²	3	32.1 Å²	32.1	3%	0.031	18%	0.183	C	C	.	.	S	Bend	trans	-77.3	165.2	-178.4	0	0	0	0	0	115.2	L267 V284 K285 A289 E290 K291	L267-G287 CarbonylContact O-C 3.56Å; V284-G287 PolarHBondContact O-N 3.17Å; K285-G287 VanDerWaalsContact C-N 3.28Å; G287-A289 VanDerWaalsContact C-N 3.34Å; G287-E290 PolarHBondContact O-N 3.5Å; G287-K291 WeakPolarHBondContact O-CB 3.31Å; G287-K291 WeakPolarHBondContact O-CG 3.37Å; G287-K291 PolarHBondContact O-N 2.91Å
288	A	90.3	Very high	91.7	Very high	34 Å²	34	32.3 Å²	32.3	28%	0.281	19%	0.186	S	C	.	.	H	α-helix	trans	-67.4	-33.9	175.1	0	0	0	0	0	112.5	I259 L267 S292	I259-A288 HydrophobicContact CG2-CB 4.23Å; L267-A288 HydrophobicContact CD1-CB 4.14Å; L267-A288 PolarHBondContact O-N 2.86Å; A288-S292 VanDerWaalsContact O-CB 3.31Å; A288-S292 WeakPolarHBondContact O-CB 3.43Å; A288-S292 PolarHBondContact O-N 3.05Å; A288-S292 PolarHBondContact O-OG 3.49Å
289	A	92.4	Very high	91.6	Very high	0 Å²	0	32.5 Å²	32.5	0%	0	19%	0.187	C	C	.	.	H	α-helix	trans	-56.4	-51.9	172	0	0	0	0	0	111.2	L267 A269 G287 S292 G293 L295	L267-A289 HydrophobicContact CD2-CB 4.15Å; L267-A289 HydrophobicContact CG-CB 4.05Å; L267-A289 WeakPolarHBondContact O-CB 3.47Å; L267-A289 PolarHBondContact O-N 2.83Å; A269-A289 HydrophobicContact CB-CB 4.01Å; G287-A289 VanDerWaalsContact C-N 3.34Å; A289-S292 PolarHBondContact O-N 3.36Å; A289-S292 PolarHBondContact O-OG 3.47Å; A289-G293 PolarHBondContact O-N 3.46Å; A289-L295 HydrophobicContact CB-CD1 3.86Å
290	E	91	Very high	91.6	Very high	46 Å²	46	32.9 Å²	32.9	22%	0.215	19%	0.189	C	C	.	.	H	α-helix	trans	-65.9	-51	-178.1	-172	-103.4	147.7	0	0	111.8	I283 V284 K285 G286 G287 S292 G293	I283-E290 HydrophobicContact CG2-CB 3.55Å; I283-E290 HydrophobicContact CG2-CG 3.86Å; V284-E290 WeakPolarHBondContact O-CB 3.49Å; K285-E290 HydrophobicContact CD-CG 4.03Å; K285-E290 WeakPolarHBondContact CD-OE1 3.42Å; K285-E290 WeakPolarHBondContact CE-OE1 3.37Å; K285-E290 IonicContact NZ-OE1 3.43Å; K285-E290 PolarHBondContact NZ-OE1 3.28Å; G286-E290 PolarHBondContact N-OE2 3.47Å; G287-E290 PolarHBondContact O-N 3.5Å; E290-S292 PolarHBondContact O-N 2.96Å; E290-S292 VanDerWaalsContact O-N 3.14Å; E290-G293 PolarHBondContact O-N 2.69Å
291	K	88.5	Confident	91.6	Very high	157 Å²	157	32.9 Å²	32.9	68%	0.683	19%	0.189	S	C	*	.	H	α-helix	trans	-60.4	-22.5	176.8	-72.7	166.2	175.8	161.5	0	114.3	G286 G287	G286-K291 VanDerWaalsContact O-CE 3.29Å; G286-K291 WeakPolarHBondContact O-CE 3.43Å; G286-K291 PolarHBondContact O-NZ 3.42Å; G287-K291 WeakPolarHBondContact O-CB 3.31Å; G287-K291 WeakPolarHBondContact O-CG 3.37Å; G287-K291 PolarHBondContact O-N 2.91Å
292	S	89.7	Confident	91.6	Very high	40 Å²	40	31.7 Å²	31.7	28%	0.28	18%	0.179	S	C	.	.	H	α-helix	trans	-78.9	-27.8	175.1	77.7	0	0	0	0	113.4	A288 A289 E290 L294	A288-S292 VanDerWaalsContact O-CB 3.31Å; A288-S292 WeakPolarHBondContact O-CB 3.43Å; A288-S292 PolarHBondContact O-N 3.05Å; A288-S292 PolarHBondContact O-OG 3.49Å; A289-S292 PolarHBondContact O-N 3.36Å; A289-S292 PolarHBondContact O-OG 3.47Å; E290-S292 PolarHBondContact O-N 2.96Å; E290-S292 VanDerWaalsContact O-N 3.14Å; S292-L294 WeakPolarHBondContact O-CG 3.26Å; S292-L294 PolarHBondContact O-N 2.86Å; S292-L294 WeakPolarHBondContact OG-CB 3.39Å; S292-L294 PolarHBondContact OG-N 3.31Å; S292-L294 VanDerWaalsContact OG-N 3.1Å
293	G	89.3	Confident	91.7	Very high	47 Å²	47	32.3 Å²	32.3	49%	0.485	18%	0.182	S	C	.	.	T	Hydrogen-bonded Turn	trans	62.4	10.7	-168.5	0	0	0	0	0	114.9	A289 E290 H296	A289-G293 PolarHBondContact O-N 3.46Å; E290-G293 PolarHBondContact O-N 2.69Å; G293-H296 PolarHBondContact O-CE1 2.76Å
294	L	90.7	Very high	91.7	Very high	32 Å²	32	31.2 Å²	31.2	17%	0.168	18%	0.177	C	C	.	.			trans	-92.3	-28.9	-171	-58.9	-175.6	0	0	0	114	Y243 K255 V257 R258 I259 S292 H296	Y243-L294 HydrophobicContact CE2-CD2 4.1Å; Y243-L294 VanDerWaalsContact OH-CD1 3.32Å; Y243-L294 WeakPolarHBondContact OH-CD1 3.43Å; Y243-L294 WeakPolarHBondContact OH-CD2 3.3Å; K255-L294 PolarHBondContact NZ-O 2.71Å; V257-L294 HydrophobicContact CB-CB 4.05Å; V257-L294 HydrophobicContact CB-CD1 4.13Å; V257-L294 HydrophobicContact CG1-CB 4.13Å; V257-L294 HydrophobicContact CG2-CB 4.35Å; R258-L294 VanDerWaalsContact O-CD1 3.28Å; R258-L294 WeakPolarHBondContact O-CD1 3.48Å; I259-L294 HydrophobicContact CD1-CB 4.3Å; I259-L294 HydrophobicContact CG1-CB 4.44Å; I259-L294 HydrophobicContact CG1-CD1 4.16Å; S292-L294 WeakPolarHBondContact O-CG 3.26Å; S292-L294 PolarHBondContact O-N 2.86Å; S292-L294 WeakPolarHBondContact OG-CB 3.39Å; S292-L294 PolarHBondContact OG-N 3.31Å; S292-L294 VanDerWaalsContact OG-N 3.1Å; L294-H296 PolarHBondContact O-ND1 2.96Å
295	L	92.8	Very high	91.5	Very high	9 Å²	9	34.7 Å²	34.7	5%	0.047	20%	0.195	C	C	.	.			trans	-98.3	136.4	177.9	-60	-176.7	0	0	0	110.9	V257 I259 L267 A269 I280 I283 A289 L332	V257-L295 HydrophobicContact CG2-CD2 4.07Å; I259-L295 HydrophobicContact CD1-CD1 3.73Å; I259-L295 HydrophobicContact CD1-CD2 3.92Å; I259-L295 HydrophobicContact CD1-CG 3.5Å; L267-L295 HydrophobicContact CD2-CD1 3.78Å; A269-L295 HydrophobicContact CB-CD1 4.38Å; I280-L295 HydrophobicContact CD1-CB 3.89Å; I280-L295 HydrophobicContact CD1-CD1 4.05Å; I280-L295 HydrophobicContact CD1-CD2 3.73Å; I280-L295 HydrophobicContact CD1-CG 4.08Å; I283-L295 HydrophobicContact CD1-CB 3.7Å; I283-L295 WeakPolarHBondContact CD1-O 3.33Å; A289-L295 HydrophobicContact CB-CD1 3.86Å; L295-L332 HydrophobicContact CD2-CD1 3.62Å
296	H	91.5	Very high	91.3	Very high	88 Å²	88	36 Å²	36	41%	0.407	22%	0.218	S	C	.	.			trans	-124	153.8	179.8	-58.9	66.3	0	0	0	111	I280 G293 L294 G298 D299	I280-H296 WeakPolarHBondContact CB-O 3.33Å; I280-H296 WeakPolarHBondContact CG2-O 3.31Å; G293-H296 PolarHBondContact O-CE1 2.76Å; L294-H296 PolarHBondContact O-ND1 2.96Å; H296-G298 PolarHBondContact O-N 3.33Å; H296-D299 PolarHBondContact N-OD2 3.3Å; H296-D299 IonicContact ND1-OD2 2.61Å; H296-D299 PolarHBondContact O-N 2.89Å
297	E	91.6	Very high	91.4	Very high	46 Å²	46	38.4 Å²	38.4	22%	0.215	23%	0.227	C	C	.	.	T	Hydrogen-bonded Turn	trans	-69.5	122.9	175.3	-60.6	177.7	156.9	0	0	109	R282 I283 K339	R282-E297 VanDerWaalsContact CA-OE1 3.25Å; R282-E297 WeakPolarHBondContact CA-OE1 3.4Å; R282-E297 WeakPolarHBondContact CG-OE1 3.44Å; I283-E297 HydrophobicContact CG1-CG 4Å; I283-E297 PolarHBondContact N-OE1 3.49Å; E297-K339 WeakPolarHBondContact OE2-CE 3.3Å; E297-K339 IonicContact OE2-NZ 3.39Å; E297-K339 PolarHBondContact OE2-NZ 3.47Å
298	G	91.6	Very high	91.5	Very high	15 Å²	15	44.8 Å²	44.8	16%	0.155	26%	0.255	C	S	.	.	T	Hydrogen-bonded Turn	trans	93.7	5.7	-173.5	0	0	0	0	0	115.6	I280 H296 S335	I280-G298 PolarHBondContact O-N 3.42Å; H296-G298 PolarHBondContact O-N 3.33Å; G298-S335 VanDerWaalsContact C-OG 3.24Å; G298-S335 WeakPolarHBondContact CA-OG 3.36Å; G298-S335 WeakPolarHBondContact O-CB 3.43Å; G298-S335 PolarHBondContact O-OG 2.81Å
299	D	93.4	Very high	91.7	Very high	3 Å²	3	43.1 Å²	43.1	2%	0.016	24%	0.242	C	C	.	.			trans	-71.9	134.8	166	-70.3	-16.6	0	0	0	109.6	I280 H296 L332 I333 P334 S335	I280-D299 HydrophobicContact CD1-CB 4.08Å; I280-D299 HydrophobicContact CG1-CB 4.37Å; I280-D299 PolarHBondContact N-O 3.4Å; H296-D299 PolarHBondContact N-OD2 3.3Å; H296-D299 IonicContact ND1-OD2 2.61Å; H296-D299 PolarHBondContact O-N 2.89Å; D299-L332 HydrophobicContact CB-CD1 4.48Å; D299-I333 WeakPolarHBondContact CA-O 3.22Å; D299-P334 WeakPolarHBondContact OD1-CA 3.28Å; D299-S335 PolarHBondContact OD1-N 2.93Å
300	E	94.6	Very high	91.6	Very high	24 Å²	24	47 Å²	47	11%	0.112	26%	0.257	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.3	137	169.8	178.9	175	140	0	0	110.3	S277 I279 L302 R310 L332 I333	S277-E300 VanDerWaalsContact CB-CD 3.47Å; S277-E300 WeakPolarHBondContact CB-OE2 3.06Å; S277-E300 PolarHBondContact OG-OE1 2.84Å; S277-E300 PolarHBondContact OG-OE2 3.33Å; I279-E300 HydrophobicContact CD1-CB 3.63Å; I279-E300 HydrophobicContact CD1-CG 3.88Å; E300-L302 HydrophobicContact CG-CD2 4.46Å; E300-L302 WeakPolarHBondContact OE1-CD2 3.31Å; E300-R310 IonicContact OE1-CZ 3.1Å; E300-R310 IonicContact OE1-NH1 2.75Å; E300-R310 PolarHBondContact OE1-NH1 2.95Å; E300-R310 IonicContact OE2-NH1 2.85Å; E300-L332 CarbonylContact O-C 3.58Å; E300-L332 WeakPolarHBondContact O-CA 3.37Å; E300-L332 WeakPolarHBondContact O-CB 2.98Å; E300-I333 HydrophobicContact CB-CB 4.12Å; E300-I333 HydrophobicContact CB-CG1 4.48Å; E300-I333 PolarHBondContact N-O 2.82Å; E300-I333 PolarHBondContact O-N 3.47Å
301	V	94.8	Very high	91.4	Very high	4 Å²	4	47.8 Å²	47.8	2%	0.024	28%	0.277	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.1	110.8	175.8	-170.9	0	0	0	0	110.5	V278 I280 I304 I309 F330 L332	V278-V301 PolarHBondContact O-N 2.9Å; I280-V301 HydrophobicContact CD1-CG2 4.16Å; I280-V301 HydrophobicContact CG1-CG2 3.78Å; V301-I304 HydrophobicContact CG1-CD1 4.07Å; V301-I304 HydrophobicContact CG1-CG1 3.88Å; V301-I309 HydrophobicContact CB-CG2 4.13Å; V301-I309 HydrophobicContact CG1-CB 4.08Å; V301-I309 HydrophobicContact CG1-CG1 4.04Å; V301-I309 HydrophobicContact CG1-CG2 3.93Å; V301-F330 HydrophobicContact CG1-CD1 4.17Å; V301-L332 HydrophobicContact CB-CD2 4.2Å; V301-L332 HydrophobicContact CG1-CD2 4.24Å; V301-L332 HydrophobicContact CG2-CD2 3.85Å
302	L	92.7	Very high	91.6	Very high	20 Å²	20	43.1 Å²	43.1	11%	0.105	26%	0.256	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.4	-49.1	176.8	-65.2	176.1	0	0	0	112	V254 E300 I309 V331 I333	V254-L302 HydrophobicContact CG1-CD1 3.61Å; E300-L302 HydrophobicContact CG-CD2 4.46Å; E300-L302 WeakPolarHBondContact OE1-CD2 3.31Å; L302-I309 PolarHBondContact O-N 3.13Å; L302-V331 HydrophobicContact CB-CB 4.46Å; L302-V331 HydrophobicContact CB-CG1 4.36Å; L302-V331 WeakPolarHBondContact CB-O 3.47Å; L302-V331 HydrophobicContact CD1-CG1 4.32Å; L302-V331 PolarHBondContact N-O 3.03Å; L302-I333 HydrophobicContact CD1-CD1 4.2Å; L302-I333 HydrophobicContact CD1-CG1 3.79Å; L302-I333 HydrophobicContact CD2-CD1 4.21Å; L302-I333 HydrophobicContact CD2-CG1 4.47Å; L302-I333 HydrophobicContact CG-CD1 4.41Å; L302-I333 HydrophobicContact CG-CG1 4.13Å
303	E	93.1	Very high	91.8	Very high	35 Å²	35	44.9 Å²	44.9	16%	0.164	26%	0.263	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.2	151.9	-178	-58	-176.3	-176.7	0	0	112.5	Y249 I307 F330 V331	Y249-E303 VanDerWaalsContact CE1-OE1 3.28Å; Y249-E303 WeakPolarHBondContact CE1-OE1 3.44Å; Y249-E303 VanDerWaalsContact CZ-OE1 3.26Å; Y249-E303 PolarHBondContact OH-OE1 2.7Å; E303-I307 CarbonylContact C-O 3.58Å; E303-I307 VanDerWaalsContact CA-O 3.23Å; E303-I307 WeakPolarHBondContact CA-O 3.12Å; E303-F330 WeakPolarHBondContact O-CA 3.32Å; E303-V331 HydrophobicContact CB-CB 4.01Å; E303-V331 HydrophobicContact CB-CG2 4Å; E303-V331 PolarHBondContact N-O 2.87Å; E303-V331 PolarHBondContact O-N 3.36Å
304	I	93.7	Very high	91.8	Very high	2 Å²	2	44.4 Å²	44.4	1%	0.01	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.7	119.6	167	-56.5	169.3	0	0	0	109	V301 G306 I307 I309 L321 M324 L328 T329 F330	V301-I304 HydrophobicContact CG1-CD1 4.07Å; V301-I304 HydrophobicContact CG1-CG1 3.88Å; I304-G306 PolarHBondContact O-N 3.18Å; I304-G306 VanDerWaalsContact O-N 3.17Å; I304-I307 PolarHBondContact N-O 3.01Å; I304-I307 WeakPolarHBondContact O-CB 3.23Å; I304-I307 PolarHBondContact O-N 3.34Å; I304-I309 HydrophobicContact CB-CD1 4.39Å; I304-I309 HydrophobicContact CB-CG1 4.3Å; I304-I309 HydrophobicContact CD1-CD1 4.02Å; I304-I309 HydrophobicContact CD1-CG1 3.93Å; I304-I309 HydrophobicContact CG1-CD1 4.2Å; I304-I309 HydrophobicContact CG1-CG1 3.78Å; I304-L321 HydrophobicContact CD1-CD1 4.3Å; I304-L321 HydrophobicContact CD1-CD2 4.01Å; I304-L321 HydrophobicContact CD1-CG 4.27Å; I304-M324 HydrophobicContact CG2-CE 3.78Å; I304-M324 HydrophobicContact CG2-SD 4.2Å; I304-L328 HydrophobicContact CG2-CB 4.39Å; I304-T329 CarbonylContact C-O 3.52Å; I304-T329 WeakPolarHBondContact CA-O 3.36Å; I304-F330 HydrophobicContact CD1-CD1 3.96Å; I304-F330 HydrophobicContact CD1-CE1 3.54Å; I304-F330 HydrophobicContact CD1-CZ 4.32Å; I304-F330 HydrophobicContact CG1-CD1 3.61Å; I304-F330 HydrophobicContact CG1-CE1 3.7Å; I304-F330 HydrophobicContact CG1-CG 4.35Å
305	N	90.9	Very high	91.8	Very high	74 Å²	74	48 Å²	48	40%	0.396	27%	0.27	S	S	.	.	T	Hydrogen-bonded Turn	trans	49.2	35.8	-175.3	-75.5	-12.4	0	0	0	114.1	I307 M324 T327 T329	N305-I307 VanDerWaalsContact C-N 3.33Å; N305-M324 HydrophobicContact CB-CE 3.84Å; N305-T327 PolarHBondContact ND2-O 3.08Å; N305-T327 PolarHBondContact OD1-O 3.43Å; N305-T329 PolarHBondContact N-O 3.06Å; N305-T329 WeakPolarHBondContact OD1-CB 3.37Å; N305-T329 PolarHBondContact OD1-N 2.79Å
306	G	86.3	Confident	91.8	Very high	60 Å²	60	52.3 Å²	52.3	62%	0.619	29%	0.29	S	S	*	.	T	Hydrogen-bonded Turn	trans	78.1	12.6	-178.7	0	0	0	0	0	114.7	I304	I304-G306 PolarHBondContact O-N 3.18Å; I304-G306 VanDerWaalsContact O-N 3.17Å
307	I	91	Very high	91.8	Very high	68 Å²	68	48.2 Å²	48.2	35%	0.349	27%	0.271	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.3	121.9	168.8	-54.6	175.4	0	0	0	107.7	E303 I304 N305 I309 L320 M324	E303-I307 CarbonylContact C-O 3.58Å; E303-I307 VanDerWaalsContact CA-O 3.23Å; E303-I307 WeakPolarHBondContact CA-O 3.12Å; I304-I307 PolarHBondContact N-O 3.01Å; I304-I307 WeakPolarHBondContact O-CB 3.23Å; I304-I307 PolarHBondContact O-N 3.34Å; N305-I307 VanDerWaalsContact C-N 3.33Å; I307-I309 PolarHBondContact O-N 2.94Å; I307-L320 HydrophobicContact CD1-CD1 3.88Å; I307-L320 HydrophobicContact CD1-CD2 4.4Å; I307-L320 HydrophobicContact CG2-CD2 3.97Å; I307-M324 HydrophobicContact CD1-CE 4.21Å
308	E	92.6	Very high	91.6	Very high	136 Å²	136	50.9 Å²	50.9	64%	0.636	28%	0.282	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-63.3	126.2	174.8	-171.4	173.7	-158.9	0	0	110.8	K312	E308-K312 WeakPolarHBondContact O-CE 3.37Å
309	I	93.9	Very high	91.5	Very high	0 Å²	0	55.1 Å²	55.1	0%	0	30%	0.301	C	S	.	.			trans	-104.6	-26.2	-179.2	-60	-53.6	0	0	0	111.5	V278 V301 L302 I304 I307 K312 V317 L320	V278-I309 HydrophobicContact CB-CG2 3.82Å; V278-I309 HydrophobicContact CG1-CG2 4.01Å; V278-I309 HydrophobicContact CG2-CG2 3.83Å; V278-I309 WeakPolarHBondContact CG2-O 3.32Å; V301-I309 HydrophobicContact CB-CG2 4.13Å; V301-I309 HydrophobicContact CG1-CB 4.08Å; V301-I309 HydrophobicContact CG1-CG1 4.04Å; V301-I309 HydrophobicContact CG1-CG2 3.93Å; L302-I309 PolarHBondContact O-N 3.13Å; I304-I309 HydrophobicContact CB-CD1 4.39Å; I304-I309 HydrophobicContact CB-CG1 4.3Å; I304-I309 HydrophobicContact CD1-CD1 4.02Å; I304-I309 HydrophobicContact CD1-CG1 3.93Å; I304-I309 HydrophobicContact CG1-CD1 4.2Å; I304-I309 HydrophobicContact CG1-CG1 3.78Å; I307-I309 PolarHBondContact O-N 2.94Å; I309-K312 HydrophobicContact CD1-CD 4.4Å; I309-K312 VanDerWaalsContact O-CB 3.24Å; I309-K312 WeakPolarHBondContact O-CB 3.29Å; I309-K312 WeakPolarHBondContact O-CG 3.39Å; I309-K312 PolarHBondContact O-N 3.3Å; I309-K312 VanDerWaalsContact O-N 3.14Å; I309-V317 HydrophobicContact CG2-CG1 4.36Å; I309-V317 HydrophobicContact CG2-CG2 3.87Å; I309-L320 HydrophobicContact CD1-CD2 3.66Å
310	R	89.5	Confident	91.4	Very high	82 Å²	82	57 Å²	57	31%	0.309	31%	0.311	S	S	.	.	T	Hydrogen-bonded Turn	trans	-60.4	140.4	173.5	-165.8	169.5	179.2	125	6.5	110.6	D276 S277 E300 K312	D276-R310 VanDerWaalsContact CG-NH2 3.31Å; D276-R310 IonicContact OD1-CZ 3.37Å; D276-R310 IonicContact OD1-NH2 2.68Å; D276-R310 PolarHBondContact OD1-NH2 3.47Å; D276-R310 VanDerWaalsContact OD1-NH2 3.1Å; D276-R310 IonicContact OD2-CZ 3.42Å; D276-R310 VanDerWaalsContact OD2-CZ 3.23Å; D276-R310 IonicContact OD2-NE 2.71Å; D276-R310 PolarHBondContact OD2-NE 3Å; D276-R310 IonicContact OD2-NH2 3.22Å; D276-R310 PolarHBondContact OD2-NH2 2.9Å; S277-R310 PolarHBondContact OG-NH1 2.76Å; E300-R310 IonicContact OE1-CZ 3.1Å; E300-R310 IonicContact OE1-NH1 2.75Å; E300-R310 PolarHBondContact OE1-NH1 2.95Å; E300-R310 IonicContact OE2-NH1 2.85Å; R310-K312 PolarHBondContact O-N 2.98Å
311	G	87.6	Confident	91.1	Very high	62 Å²	62	57.6 Å²	57.6	64%	0.639	32%	0.315	S	S	*	.	T	Hydrogen-bonded Turn	trans	75.4	-0.2	-174.2	0	0	0	0	0	115.4	D276	D276-G311 PolarHBondContact O-N 3.35Å
312	K	92.9	Very high	90.8	Very high	58 Å²	58	59.2 Å²	59.2	25%	0.252	33%	0.328	S	S	.	.			trans	-86.7	146.9	173.5	-60.5	-159	149.5	-60.1	0	112.3	N273 E308 I309 R310 E316 V317	N273-K312 PolarHBondContact ND2-O 3.02Å; E308-K312 WeakPolarHBondContact O-CE 3.37Å; I309-K312 HydrophobicContact CD1-CD 4.4Å; I309-K312 VanDerWaalsContact O-CB 3.24Å; I309-K312 WeakPolarHBondContact O-CB 3.29Å; I309-K312 WeakPolarHBondContact O-CG 3.39Å; I309-K312 PolarHBondContact O-N 3.3Å; I309-K312 VanDerWaalsContact O-N 3.14Å; R310-K312 PolarHBondContact O-N 2.98Å; K312-E316 HydrophobicContact CB-CB 4.46Å; K312-E316 IonicContact NZ-OE2 2.73Å; K312-E316 PolarHBondContact NZ-OE2 3.13Å; K312-V317 HydrophobicContact CB-CG2 3.75Å; K312-V317 HydrophobicContact CD-CG2 4.43Å
313	D	92.9	Very high	90.6	Very high	77 Å²	77	64.5 Å²	64.5	41%	0.412	36%	0.357	S	S	.	.			trans	-76.9	146.3	168.2	177.6	88.2	0	0	0	110.9	N273 N315 E316 V317	N273-D313 WeakPolarHBondContact OD1-CA 3.33Å; D313-N315 PolarHBondContact O-N 2.91Å; D313-N315 VanDerWaalsContact O-N 3.08Å; D313-N315 VanDerWaalsContact OD2-CB 3.23Å; D313-N315 WeakPolarHBondContact OD2-CB 3.37Å; D313-N315 PolarHBondContact OD2-N 3.47Å; D313-N315 PolarHBondContact OD2-ND2 2.82Å; D313-E316 HydrophobicContact CB-CG 4.46Å; D313-E316 WeakPolarHBondContact O-CB 3.34Å; D313-E316 PolarHBondContact O-N 2.99Å; D313-V317 PolarHBondContact O-N 3.03Å; D313-V317 VanDerWaalsContact O-N 3.13Å
314	V	90.7	Very high	90.3	Very high	38 Å²	38	64.2 Å²	64.2	23%	0.23	36%	0.356	C	S	.	.	H	α-helix	trans	-53.6	-29.2	179.7	-75.6	0	0	0	0	114.4	V271 N273 V317 F318	V271-V314 HydrophobicContact CB-CG1 4.38Å; V271-V314 HydrophobicContact CG2-CB 4.37Å; V271-V314 HydrophobicContact CG2-CG1 3.86Å; N273-V314 WeakPolarHBondContact OD1-CG1 3.35Å; N273-V314 PolarHBondContact OD1-N 3.39Å; V314-V317 PolarHBondContact O-N 3.35Å; V314-F318 WeakPolarHBondContact O-CB 3.14Å; V314-F318 PolarHBondContact O-N 3.2Å
315	N	90.1	Very high	90.1	Very high	108 Å²	108	68.5 Å²	68.5	58%	0.578	38%	0.376	S	S	*	.	H	α-helix	trans	-71.2	-37.4	176.2	-60.5	-85.1	0	0	0	111.4	D313 V317 F318 D319	D313-N315 PolarHBondContact O-N 2.91Å; D313-N315 VanDerWaalsContact O-N 3.08Å; D313-N315 VanDerWaalsContact OD2-CB 3.23Å; D313-N315 WeakPolarHBondContact OD2-CB 3.37Å; D313-N315 PolarHBondContact OD2-N 3.47Å; D313-N315 PolarHBondContact OD2-ND2 2.82Å; N315-V317 VanDerWaalsContact C-N 3.33Å; N315-F318 PolarHBondContact O-N 2.92Å; N315-D319 PolarHBondContact O-N 3.27Å
316	E	92.1	Very high	90	Very high	98 Å²	98	66.3 Å²	66.3	46%	0.458	37%	0.371	S	S	.	.	H	α-helix	trans	-65.1	-39	172.3	-60.1	-165.1	149.8	0	0	111.5	K312 D313 L320	K312-E316 HydrophobicContact CB-CB 4.46Å; K312-E316 IonicContact NZ-OE2 2.73Å; K312-E316 PolarHBondContact NZ-OE2 3.13Å; D313-E316 HydrophobicContact CB-CG 4.46Å; D313-E316 WeakPolarHBondContact O-CB 3.34Å; D313-E316 PolarHBondContact O-N 2.99Å; E316-L320 WeakPolarHBondContact O-CB 3.4Å; E316-L320 PolarHBondContact O-N 2.8Å
317	V	91.8	Very high	90.2	Very high	2 Å²	2	66.6 Å²	66.6	1%	0.012	36%	0.36	C	S	.	.	H	α-helix	trans	-69	-37.1	178.5	-179.5	0	0	0	0	111	V271 V278 I309 K312 D313 V314 N315 L321	V271-V317 HydrophobicContact CG2-CG1 4.39Å; V278-V317 HydrophobicContact CG1-CG2 4.42Å; V278-V317 HydrophobicContact CG2-CG2 4.29Å; I309-V317 HydrophobicContact CG2-CG1 4.36Å; I309-V317 HydrophobicContact CG2-CG2 3.87Å; K312-V317 HydrophobicContact CB-CG2 3.75Å; K312-V317 HydrophobicContact CD-CG2 4.43Å; D313-V317 PolarHBondContact O-N 3.03Å; D313-V317 VanDerWaalsContact O-N 3.13Å; V314-V317 PolarHBondContact O-N 3.35Å; N315-V317 VanDerWaalsContact C-N 3.33Å; V317-L321 HydrophobicContact CG1-CD1 4.07Å; V317-L321 VanDerWaalsContact O-CB 3.31Å; V317-L321 WeakPolarHBondContact O-CB 3.31Å; V317-L321 WeakPolarHBondContact O-CG 3.31Å; V317-L321 PolarHBondContact O-N 3.36Å
318	F	88.5	Confident	90.2	Very high	103 Å²	103	63.4 Å²	63.4	45%	0.452	34%	0.344	S	S	.	.	H	α-helix	trans	-63.1	-52.7	172.7	174	-90.8	0	0	0	111.9	L56 V314 N315 L320 L321 A322	L56-F318 HydrophobicContact CD1-CE1 4.25Å; L56-F318 HydrophobicContact CD1-CZ 4.48Å; V314-F318 WeakPolarHBondContact O-CB 3.14Å; V314-F318 PolarHBondContact O-N 3.2Å; N315-F318 PolarHBondContact O-N 2.92Å; F318-L320 VanDerWaalsContact C-N 3.32Å; F318-L320 PolarHBondContact O-N 3.09Å; F318-L321 PolarHBondContact O-N 3.1Å; F318-A322 PolarHBondContact O-N 2.93Å
319	D	89.2	Confident	90.2	Very high	103 Å²	103	58.6 Å²	58.6	55%	0.551	32%	0.324	S	S	*	.	H	α-helix	trans	-61.5	-40.7	179.5	-81.6	-14.4	0	0	0	111.3	N315 A322	N315-D319 PolarHBondContact O-N 3.27Å; D319-A322 WeakPolarHBondContact O-CB 3.38Å; D319-A322 PolarHBondContact O-N 3.35Å
320	L	91	Very high	90.2	Very high	43 Å²	43	58.9 Å²	58.9	23%	0.225	33%	0.325	C	S	.	.	H	α-helix	trans	-60.9	-49.9	174.7	177.5	63.3	0	0	0	111.9	I307 I309 E316 F318 A322 M324	I307-L320 HydrophobicContact CD1-CD1 3.88Å; I307-L320 HydrophobicContact CD1-CD2 4.4Å; I307-L320 HydrophobicContact CG2-CD2 3.97Å; I309-L320 HydrophobicContact CD1-CD2 3.66Å; E316-L320 WeakPolarHBondContact O-CB 3.4Å; E316-L320 PolarHBondContact O-N 2.8Å; F318-L320 VanDerWaalsContact C-N 3.32Å; F318-L320 PolarHBondContact O-N 3.09Å; L320-A322 VanDerWaalsContact C-N 3.26Å; L320-A322 PolarHBondContact O-N 3.36Å; L320-M324 HydrophobicContact CD1-CG 4.47Å; L320-M324 HydrophobicContact CD1-SD 4Å; L320-M324 HydrophobicContact CD2-SD 4.47Å; L320-M324 HydrophobicContact CG-SD 3.82Å; L320-M324 VanDerWaalsContact O-CG 3.27Å; L320-M324 WeakPolarHBondContact O-CG 3.24Å; L320-M324 PolarHBondContact O-N 3.48Å
321	L	89.1	Confident	90.4	Very high	36 Å²	36	55.7 Å²	55.7	19%	0.188	32%	0.315	C	S	.	.	H	α-helix	trans	-68.3	-22.7	-179.9	-82.6	172.3	0	0	0	113.3	K261 I304 V317 F318 M324 L328	K261-L321 WeakPolarHBondContact CE-O 3.31Å; K261-L321 PolarHBondContact NZ-O 3.37Å; I304-L321 HydrophobicContact CD1-CD1 4.3Å; I304-L321 HydrophobicContact CD1-CD2 4.01Å; I304-L321 HydrophobicContact CD1-CG 4.27Å; V317-L321 HydrophobicContact CG1-CD1 4.07Å; V317-L321 VanDerWaalsContact O-CB 3.31Å; V317-L321 WeakPolarHBondContact O-CB 3.31Å; V317-L321 WeakPolarHBondContact O-CG 3.31Å; V317-L321 PolarHBondContact O-N 3.36Å; F318-L321 PolarHBondContact O-N 3.1Å; L321-M324 HydrophobicContact CD2-SD 4.42Å; L321-L328 HydrophobicContact CD2-CD1 3.81Å
322	A	87.1	Confident	90.6	Very high	38 Å²	38	52.8 Å²	52.8	31%	0.314	29%	0.285	S	S	.	.	H	α-helix	trans	-61.6	-53.2	176.3	0	0	0	0	0	111.2	K261 F318 D319 L320	K261-A322 PolarHBondContact NZ-O 2.85Å; F318-A322 PolarHBondContact O-N 2.93Å; D319-A322 WeakPolarHBondContact O-CB 3.38Å; D319-A322 PolarHBondContact O-N 3.35Å; L320-A322 VanDerWaalsContact C-N 3.26Å; L320-A322 PolarHBondContact O-N 3.36Å
323	D	88.1	Confident	90.5	Very high	132 Å²	132	51.6 Å²	51.6	71%	0.706	28%	0.281	S	S	*	.	H	α-helix	trans	-73	-28.3	-177.1	-78	-11.1	0	0	0	113.5	H325	D323-H325 PolarHBondContact O-ND1 2.75Å
324	M	87.7	Confident	90.4	Very high	28 Å²	28	50.3 Å²	50.3	14%	0.138	28%	0.277	C	S	.	.			trans	-67.8	140.9	179.5	-69.8	176.4	100.8	0	0	112.8	K261 I304 N305 I307 L320 L321 L328	K261-M324 WeakPolarHBondContact CD-O 3.31Å; K261-M324 PolarHBondContact NZ-O 3.44Å; I304-M324 HydrophobicContact CG2-CE 3.78Å; I304-M324 HydrophobicContact CG2-SD 4.2Å; N305-M324 HydrophobicContact CB-CE 3.84Å; I307-M324 HydrophobicContact CD1-CE 4.21Å; L320-M324 HydrophobicContact CD1-CG 4.47Å; L320-M324 HydrophobicContact CD1-SD 4Å; L320-M324 HydrophobicContact CD2-SD 4.47Å; L320-M324 HydrophobicContact CG-SD 3.82Å; L320-M324 VanDerWaalsContact O-CG 3.27Å; L320-M324 WeakPolarHBondContact O-CG 3.24Å; L320-M324 PolarHBondContact O-N 3.48Å; L321-M324 HydrophobicContact CD2-SD 4.42Å; M324-L328 HydrophobicContact CB-CD2 3.97Å; M324-L328 HydrophobicContact CE-CD2 4.28Å
325	H	89.6	Confident	90.2	Very high	92 Å²	92	50.1 Å²	50.1	43%	0.426	28%	0.277	S	S	.	.			trans	-158	163.3	177.4	56.4	-78.4	0	0	0	111.7	K261 R263 D323	K261-H325 CarbonylContact O-C 3.53Å; K261-H325 WeakPolarHBondContact O-CA 3.21Å; R263-H325 HydrophobicContact CB-CB 4.11Å; R263-H325 HydrophobicContact CG-CB 4.5Å; R263-H325 PolarHBondContact NE-NE2 3.38Å; R263-H325 PolarHBondContact NH2-NE2 2.86Å; D323-H325 PolarHBondContact O-ND1 2.75Å
326	G	87.6	Confident	89.5	Confident	28 Å²	28	54.5 Å²	54.5	29%	0.289	29%	0.294	S	S	.	.	E	Extended strand (participates in β ladder)	trans	80.2	-156.6	-165.8	0	0	0	0	0	111.6	K261 L328	K261-G326 PolarHBondContact N-O 2.82Å; K261-G326 PolarHBondContact O-N 3.29Å; G326-L328 PolarHBondContact O-N 3.05Å
327	T	91.4	Very high	88.3	Confident	66 Å²	66	56.5 Å²	56.5	41%	0.405	30%	0.303	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-63.2	118	-179	-37.9	0	0	0	0	111.8	R258 E260 N305	R258-T327 HydrophobicContact CB-CG2 4.16Å; R258-T327 HydrophobicContact CG-CG2 4.48Å; E260-T327 WeakPolarHBondContact OE1-CA 2.98Å; E260-T327 WeakPolarHBondContact OE1-CB 3.14Å; E260-T327 WeakPolarHBondContact OE1-CG2 3.44Å; E260-T327 PolarHBondContact OE1-OG1 3.14Å; E260-T327 PolarHBondContact OE2-N 2.9Å; E260-T327 VanDerWaalsContact OE2-N 3.08Å; N305-T327 PolarHBondContact ND2-O 3.08Å; N305-T327 PolarHBondContact OD1-O 3.43Å
328	L	90.9	Very high	86.6	Confident	1 Å²	1	62.1 Å²	62.1	1%	0.005	34%	0.343	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100	115.1	168.8	-55.1	-170.2	0	0	0	109.2	R258 I259 K261 L267 I304 L321 M324 G326 F330	R258-L328 CarbonylContact C-O 3.48Å; R258-L328 VanDerWaalsContact CA-O 3.31Å; R258-L328 WeakPolarHBondContact CA-O 3.36Å; I259-L328 PolarHBondContact N-O 2.82Å; I259-L328 PolarHBondContact O-N 2.86Å; K261-L328 HydrophobicContact CB-CD1 3.75Å; K261-L328 HydrophobicContact CB-CG 3.9Å; K261-L328 HydrophobicContact CD-CD1 3.82Å; K261-L328 HydrophobicContact CG-CD1 4.41Å; L267-L328 HydrophobicContact CD1-CD1 4.37Å; I304-L328 HydrophobicContact CG2-CB 4.39Å; L321-L328 HydrophobicContact CD2-CD1 3.81Å; M324-L328 HydrophobicContact CB-CD2 3.97Å; M324-L328 HydrophobicContact CE-CD2 4.28Å; G326-L328 PolarHBondContact O-N 3.05Å; L328-F330 HydrophobicContact CB-CD2 4.17Å; L328-F330 HydrophobicContact CB-CE2 3.55Å; L328-F330 HydrophobicContact CB-CZ 4.25Å; L328-F330 HydrophobicContact CD1-CE2 4.15Å; L328-F330 HydrophobicContact CD1-CZ 4.09Å
329	T	92.1	Very high	85.4	Confident	35 Å²	35	62.2 Å²	62.2	22%	0.215	34%	0.343	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.4	113.6	169.5	-54.7	0	0	0	0	108.7	I256 V257 R258 I304 N305	I256-T329 HydrophobicContact CG2-CG2 3.67Å; V257-T329 CarbonylContact O-C 2.95Å; V257-T329 WeakPolarHBondContact O-CA 3.46Å; R258-T329 HydrophobicContact CG-CG2 4.18Å; I304-T329 CarbonylContact C-O 3.52Å; I304-T329 WeakPolarHBondContact CA-O 3.36Å; N305-T329 PolarHBondContact N-O 3.06Å; N305-T329 WeakPolarHBondContact OD1-CB 3.37Å; N305-T329 PolarHBondContact OD1-N 2.79Å
330	F	94.3	Very high	84.2	Confident	6 Å²	6	62.4 Å²	62.4	3%	0.026	35%	0.35	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.9	140.9	175.1	-66	-105.7	0	0	0	109.9	I256 V257 I259 L267 V301 E303 I304 L328 L332	I256-F330 WeakPolarHBondContact CA-O 3.4Å; V257-F330 HydrophobicContact CG2-CB 3.8Å; V257-F330 HydrophobicContact CG2-CD2 4.42Å; V257-F330 HydrophobicContact CG2-CG 4.43Å; V257-F330 PolarHBondContact N-O 3.03Å; V257-F330 PolarHBondContact O-N 3.17Å; I259-F330 HydrophobicContact CB-CE2 4.49Å; I259-F330 HydrophobicContact CD1-CD2 4.33Å; I259-F330 HydrophobicContact CD1-CE2 4.15Å; L267-F330 HydrophobicContact CD2-CE2 4.13Å; L267-F330 HydrophobicContact CD2-CZ 3.71Å; V301-F330 HydrophobicContact CG1-CD1 4.17Å; E303-F330 WeakPolarHBondContact O-CA 3.32Å; I304-F330 HydrophobicContact CD1-CD1 3.96Å; I304-F330 HydrophobicContact CD1-CE1 3.54Å; I304-F330 HydrophobicContact CD1-CZ 4.32Å; I304-F330 HydrophobicContact CG1-CD1 3.61Å; I304-F330 HydrophobicContact CG1-CE1 3.7Å; I304-F330 HydrophobicContact CG1-CG 4.35Å; L328-F330 HydrophobicContact CB-CD2 4.17Å; L328-F330 HydrophobicContact CB-CE2 3.55Å; L328-F330 HydrophobicContact CB-CZ 4.25Å; L328-F330 HydrophobicContact CD1-CE2 4.15Å; L328-F330 HydrophobicContact CD1-CZ 4.09Å; F330-L332 HydrophobicContact CB-CD1 4.46Å; F330-L332 HydrophobicContact CB-CD2 3.9Å; F330-L332 HydrophobicContact CB-CG 4.01Å; F330-L332 HydrophobicContact CD1-CD2 4.27Å
331	V	93.1	Very high	82.8	Confident	16 Å²	16	65.7 Å²	65.7	10%	0.097	37%	0.374	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.1	119.5	163.2	-174.9	0	0	0	0	107.2	V254 I256 L302 E303	V254-V331 HydrophobicContact CB-CG1 3.85Å; V254-V331 HydrophobicContact CG1-CG1 4.17Å; V254-V331 HydrophobicContact CG2-CG1 3.87Å; I256-V331 HydrophobicContact CG1-CG1 4.49Å; I256-V331 HydrophobicContact CG1-CG2 4.37Å; L302-V331 HydrophobicContact CB-CB 4.46Å; L302-V331 HydrophobicContact CB-CG1 4.36Å; L302-V331 WeakPolarHBondContact CB-O 3.47Å; L302-V331 HydrophobicContact CD1-CG1 4.32Å; L302-V331 PolarHBondContact N-O 3.03Å; E303-V331 HydrophobicContact CB-CB 4.01Å; E303-V331 HydrophobicContact CB-CG2 4Å; E303-V331 PolarHBondContact N-O 2.87Å; E303-V331 PolarHBondContact O-N 3.36Å
332	L	93	Very high	81.4	Confident	0 Å²	0	70.3 Å²	70.3	0%	0	41%	0.406	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.8	153.1	-171.8	-53.2	173.7	0	0	0	111.8	V254 K255 V257 L295 D299 E300 V301 F330	V254-L332 CarbonylContact C-O 3.53Å; V254-L332 VanDerWaalsContact CA-O 3.23Å; V254-L332 WeakPolarHBondContact CA-O 3.2Å; V254-L332 WeakPolarHBondContact CB-O 3.43Å; K255-L332 HydrophobicContact CB-CB 4.45Å; K255-L332 PolarHBondContact N-O 2.86Å; K255-L332 WeakPolarHBondContact O-CB 3.37Å; K255-L332 PolarHBondContact O-N 3.45Å; V257-L332 HydrophobicContact CG2-CD1 3.75Å; V257-L332 HydrophobicContact CG2-CG 4.46Å; L295-L332 HydrophobicContact CD2-CD1 3.62Å; D299-L332 HydrophobicContact CB-CD1 4.48Å; E300-L332 CarbonylContact O-C 3.58Å; E300-L332 WeakPolarHBondContact O-CA 3.37Å; E300-L332 WeakPolarHBondContact O-CB 2.98Å; V301-L332 HydrophobicContact CB-CD2 4.2Å; V301-L332 HydrophobicContact CG1-CD2 4.24Å; V301-L332 HydrophobicContact CG2-CD2 3.85Å; F330-L332 HydrophobicContact CB-CD1 4.46Å; F330-L332 HydrophobicContact CB-CD2 3.9Å; F330-L332 HydrophobicContact CB-CG 4.01Å; F330-L332 HydrophobicContact CD1-CD2 4.27Å
333	I	91.4	Very high	80.2	Confident	33 Å²	33	72.6 Å²	72.6	17%	0.169	43%	0.425	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.8	119.4	155.6	-51.9	173.6	0	0	0	106.7	E252 D299 E300 L302	E252-I333 WeakPolarHBondContact OE2-CD1 3.32Å; D299-I333 WeakPolarHBondContact CA-O 3.22Å; E300-I333 HydrophobicContact CB-CB 4.12Å; E300-I333 HydrophobicContact CB-CG1 4.48Å; E300-I333 PolarHBondContact N-O 2.82Å; E300-I333 PolarHBondContact O-N 3.47Å; L302-I333 HydrophobicContact CD1-CD1 4.2Å; L302-I333 HydrophobicContact CD1-CG1 3.79Å; L302-I333 HydrophobicContact CD2-CD1 4.21Å; L302-I333 HydrophobicContact CD2-CG1 4.47Å; L302-I333 HydrophobicContact CG-CD1 4.41Å; L302-I333 HydrophobicContact CG-CG1 4.13Å
334	P	90.3	Very high	78.8	Confident	50 Å²	50	75.6 Å²	75.6	33%	0.325	43%	0.432	S	S	.	.	P	Polyproline II helix	trans	-69.9	142.7	-175.7	28.6	-34.3	0	0	0	111.7	T253 K255 D299	T253-P334 WeakPolarHBondContact O-CD 3.35Å; K255-P334 HydrophobicContact CB-CB 4.48Å; K255-P334 HydrophobicContact CB-CG 4.43Å; K255-P334 HydrophobicContact CD-CB 4.39Å; D299-P334 WeakPolarHBondContact OD1-CA 3.28Å
335	S	85.6	Confident	77.7	Confident	35 Å²	35	80.7 Å²	80.7	25%	0.245	46%	0.455	C	S	.	.	P	Polyproline II helix	trans	-64.2	139.9	179.4	-148.8	0	0	0	0	112.9	G298 D299 Q337	G298-S335 VanDerWaalsContact C-OG 3.24Å; G298-S335 WeakPolarHBondContact CA-OG 3.36Å; G298-S335 WeakPolarHBondContact O-CB 3.43Å; G298-S335 PolarHBondContact O-OG 2.81Å; D299-S335 PolarHBondContact OD1-N 2.93Å; S335-Q337 PolarHBondContact O-N 3.45Å
336	Q	75.8	Confident	77.2	Confident	200 Å²	200	81.1 Å²	81.1	94%	0.935	46%	0.464	S	S	*	.			trans	-77.9	0.6	170.9	-61.1	-173.2	10	0	0	112.9	S338	Q336-S338 PolarHBondContact O-N 3.48Å
337	Q	66.4	Low	77.3	Confident	139 Å²	139	83.1 Å²	83.1	65%	0.65	47%	0.471	S	S	*	.			trans	-80	108.3	-178.5	-62.2	-170.2	38.1	0	0	111.1	S335 K339	S335-Q337 PolarHBondContact O-N 3.45Å; Q337-K339 PolarHBondContact O-N 3.19Å
338	S	56.9	Low	77.4	Confident	120 Å²	120	82 Å²	82	84%	0.839	46%	0.462	S	S	*	.			trans	-72.7	91.7	171.2	46.1	0	0	0	0	111.4	Q336	Q336-S338 PolarHBondContact O-N 3.48Å
339	K	63.2	Low	77.6	Confident	105 Å²	105	84.7 Å²	84.7	46%	0.457	47%	0.474	S	S	.	.	P	Polyproline II helix	trans	-58.9	144.1	164.5	-81.4	-157.8	172.8	-168.1	0	109.9	E297 Q337 E385	E297-K339 WeakPolarHBondContact OE2-CE 3.3Å; E297-K339 IonicContact OE2-NZ 3.39Å; E297-K339 PolarHBondContact OE2-NZ 3.47Å; Q337-K339 PolarHBondContact O-N 3.19Å; K339-E385 IonicContact NZ-OE2 2.72Å; K339-E385 PolarHBondContact NZ-OE2 3.45Å
340	P	64	Low	77.8	Confident	107 Å²	107	83.3 Å²	83.3	70%	0.695	47%	0.466	S	S	*	.	P	Polyproline II helix	trans	-61.6	158	170.8	28.7	-35.2	0	0	0	110.5
341	P	61.7	Low	77.9	Confident	112 Å²	112	84 Å²	84	73%	0.727	47%	0.469	S	S	*	.	S	Bend	trans	-56.2	145.5	174.8	25.5	-35	0	0	0	110.5	A343	P341-A343 PolarHBondContact O-N 3.17Å
342	P	59.4	Low	77.9	Confident	134 Å²	134	83.2 Å²	83.2	87%	0.87	46%	0.464	S	S	*	.	P	Polyproline II helix	trans	-57.7	116.7	-171.3	21.9	-33.2	0	0	0	111.1
343	A	61.6	Low	77.9	Confident	86 Å²	86	83.7 Å²	83.7	71%	0.711	47%	0.467	S	S	*	.	P	Polyproline II helix	trans	-64.7	149.9	169.4	0	0	0	0	0	109.4	P341 E345	P341-A343 PolarHBondContact O-N 3.17Å; A343-E345 PolarHBondContact O-N 2.86Å
344	K	59.3	Low	77.9	Confident	195 Å²	195	83.2 Å²	83.2	85%	0.848	46%	0.463	S	S	*	.	P	Polyproline II helix	trans	-58.5	129.7	173.4	-71	-168.6	174	-168.5	0	109.6	T346	K344-T346 PolarHBondContact O-N 2.8Å
345	E	64.7	Low	78	Confident	134 Å²	134	85.9 Å²	85.9	63%	0.626	48%	0.475	S	S	*	.			trans	-67.8	105.7	179.2	-56.7	-165.2	132.6	0	0	110	K285 A343	K285-E345 IonicContact NZ-OE1 2.66Å; K285-E345 PolarHBondContact NZ-OE1 2.87Å; A343-E345 PolarHBondContact O-N 2.86Å
346	T	78.8	Confident	78.4	Confident	101 Å²	101	84.9 Å²	84.9	62%	0.62	47%	0.466	S	S	*	.			trans	-101.6	99	174.5	55.6	0	0	0	0	108.7	K344 I348	K344-T346 PolarHBondContact O-N 2.8Å; T346-I348 PolarHBondContact O-N 2.88Å
347	V	90.3	Very high	79.3	Confident	70 Å²	70	78.4 Å²	78.4	42%	0.424	44%	0.437	S	S	.	.			trans	-63.7	126.7	169.5	-177.4	0	0	0	0	109	H380 V381 I382	V347-H380 HydrophobicContact CG1-CB 4.33Å; V347-V381 WeakPolarHBondContact CA-O 3.36Å; V347-I382 HydrophobicContact CG1-CG2 4.09Å; V347-I382 HydrophobicContact CG2-CG2 4Å
348	I	92.9	Very high	80.6	Confident	43 Å²	43	72.2 Å²	72.2	22%	0.221	41%	0.41	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.7	116.6	178.1	-52.8	-178.4	0	0	0	108.4	T346 V350 V381 E468	T346-I348 PolarHBondContact O-N 2.88Å; I348-V350 HydrophobicContact CG2-CG1 3.89Å; I348-V381 HydrophobicContact CB-CB 4.49Å; I348-V381 PolarHBondContact N-O 3.21Å; I348-V381 WeakPolarHBondContact O-CB 3.44Å; I348-V381 PolarHBondContact O-N 2.91Å; I348-E468 HydrophobicContact CG2-CG 3.65Å
349	H	95.5	Very high	82.3	Confident	57 Å²	57	68.6 Å²	68.6	26%	0.264	38%	0.384	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.4	128.8	174.4	-53.7	-94.8	0	0	0	109.1	L379 H380 M469 W668	H349-L379 WeakPolarHBondContact CA-O 3.33Å; H349-H380 AromaticContact CE1-CE1 3.91Å; H349-H380 AromaticContact CE1-ND1 3.34Å; H349-H380 PolarHBondContact CE1-ND1 3.16Å; H349-H380 VanDerWaalsContact CE1-ND1 3.34Å; H349-H380 AromaticContact ND1-CE1 3.55Å; H349-H380 AromaticContact ND1-ND1 3.11Å; H349-H380 PolarHBondContact ND1-ND1 3.31Å; H349-H380 VanDerWaalsContact ND1-ND1 3.11Å; H349-M469 PolarHBondContact O-N 2.87Å; H349-W668 HydrophobicContact CB-CE3 4.44Å; H349-W668 HydrophobicContact CB-CH2 3.94Å; H349-W668 HydrophobicContact CB-CZ3 3.63Å; H349-W668 AromaticContact CE1-CH2 3.87Å; H349-W668 AromaticContact CG-CH2 3.62Å; H349-W668 AromaticContact CG-CZ3 3.69Å; H349-W668 AromaticContact ND1-CH2 3.3Å; H349-W668 VanDerWaalsContact ND1-CH2 3.3Å; H349-W668 WeakPolarHBondContact ND1-CH2 3.4Å; H349-W668 AromaticContact ND1-CZ3 3.89Å
350	V	95.8	Very high	83.5	Confident	6 Å²	6	69.9 Å²	69.9	4%	0.036	40%	0.396	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.2	149.2	179.1	-54.3	0	0	0	0	111.9	I348 I378 L379 V381 Y466 E467	I348-V350 HydrophobicContact CG2-CG1 3.89Å; V350-I378 CarbonylContact O-C 3.59Å; V350-I378 WeakPolarHBondContact O-CA 3.48Å; V350-L379 HydrophobicContact CG2-CB 3.92Å; V350-L379 PolarHBondContact N-O 2.73Å; V350-L379 PolarHBondContact O-N 2.93Å; V350-V381 HydrophobicContact CG1-CG2 4.39Å; V350-V381 HydrophobicContact CG2-CG2 3.83Å; V350-Y466 HydrophobicContact CG2-CD1 3.85Å; V350-Y466 HydrophobicContact CG2-CG 4.2Å; V350-E467 CarbonylContact C-O 3.55Å; V350-E467 VanDerWaalsContact CA-O 3.25Å; V350-E467 WeakPolarHBondContact CA-O 3.25Å
351	K	95.2	Very high	84.7	Confident	20 Å²	20	65 Å²	65	9%	0.087	36%	0.364	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.9	126.5	170.1	-174.3	174.9	179	-171.3	0	109.5	D377 I378 Y466 E467 M469 H637	K351-D377 WeakPolarHBondContact CA-O 3.24Å; K351-I378 HydrophobicContact CB-CD1 3.75Å; K351-I378 HydrophobicContact CD-CD1 4.47Å; K351-I378 HydrophobicContact CG-CD1 4.02Å; K351-Y466 WeakPolarHBondContact O-CA 3.39Å; K351-E467 PolarHBondContact N-O 3.38Å; K351-E467 PolarHBondContact O-N 3.29Å; K351-E467 VanDerWaalsContact O-N 3.11Å; K351-M469 HydrophobicContact CB-CG 3.64Å; K351-M469 HydrophobicContact CB-SD 3.86Å; K351-M469 HydrophobicContact CD-CE 4.34Å; K351-M469 HydrophobicContact CD-SD 4.39Å; K351-H637 PolarHBondContact NZ-O 3.41Å
352	A	95	Very high	86.1	Confident	0 Å²	0	64.9 Å²	64.9	0%	0	36%	0.363	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.2	128.7	173.8	0	0	0	0	0	110.8	F373 G376 D377 L379 Y466	A352-F373 HydrophobicContact CB-CD2 3.47Å; A352-F373 VanDerWaalsContact CB-CD2 3.47Å; A352-F373 HydrophobicContact CB-CE2 3.55Å; A352-F373 HydrophobicContact CB-CG 4.46Å; A352-G376 PolarHBondContact O-N 2.85Å; A352-D377 PolarHBondContact N-O 3.36Å; A352-L379 HydrophobicContact CB-CD1 4.32Å; A352-Y466 HydrophobicContact CB-CD1 4.39Å; A352-Y466 HydrophobicContact CB-CE1 4.4Å
353	H	92.5	Very high	87.5	Confident	11 Å²	11	66.1 Å²	66.1	5%	0.051	35%	0.352	C	S	.	.	S	Bend	trans	-104.2	7.6	176.8	-71	-39.2	0	0	0	114	K375 L464 T465 E467 H637	H353-K375 VanDerWaalsContact O-CD 3.22Å; H353-K375 WeakPolarHBondContact O-CD 3.28Å; H353-K375 WeakPolarHBondContact O-CE 3.44Å; H353-K375 WeakPolarHBondContact O-CG 3.08Å; H353-L464 HydrophobicContact CB-CB 3.89Å; H353-L464 HydrophobicContact CB-CD2 4.25Å; H353-L464 HydrophobicContact CB-CG 4.49Å; H353-T465 PolarHBondContact N-O 2.84Å; H353-E467 IonicContact CE1-OE2 3.34Å; H353-E467 WeakPolarHBondContact NE2-CB 3.38Å; H353-E467 IonicContact NE2-OE2 3.48Å; H353-E467 PolarHBondContact NE2-OE2 2.79Å; H353-H637 HydrophobicContact CB-CB 4.47Å; H353-H637 WeakPolarHBondContact ND1-CB 3.47Å
354	F	91.6	Very high	88.9	Confident	22 Å²	22	63 Å²	63	10%	0.096	32%	0.323	C	S	.	.	S	Bend	trans	-137.2	164.6	174.7	68.4	-73.5	0	0	0	110.4	F373 K375 Q413 T465 Y466	F354-F373 HydrophobicContact CD2-CE2 4.38Å; F354-F373 HydrophobicContact CE1-CE2 4.11Å; F354-F373 HydrophobicContact CE1-CZ 4.17Å; F354-F373 AromaticContact CE2-CE2 3.99Å; F354-F373 HydrophobicContact CE2-CE2 3.99Å; F354-F373 AromaticContact CE2-CZ 3.86Å; F354-F373 HydrophobicContact CE2-CZ 3.86Å; F354-F373 AromaticContact CZ-CE2 3.84Å; F354-F373 HydrophobicContact CZ-CE2 3.84Å; F354-F373 AromaticContact CZ-CZ 3.56Å; F354-F373 HydrophobicContact CZ-CZ 3.56Å; F354-K375 PolarHBondContact O-N 2.72Å; F354-Q413 HydrophobicContact CD1-CG 4.37Å; F354-Q413 HydrophobicContact CD2-CG 4.39Å; F354-Q413 HydrophobicContact CE1-CG 3.88Å; F354-Q413 VanDerWaalsContact CE2-CD 3.49Å; F354-Q413 HydrophobicContact CE2-CG 3.87Å; F354-Q413 HydrophobicContact CZ-CB 4.33Å; F354-Q413 HydrophobicContact CZ-CG 3.59Å; F354-T465 WeakPolarHBondContact CD1-O 3.42Å; F354-T465 WeakPolarHBondContact CE1-O 3.39Å; F354-Y466 HydrophobicContact CE1-CD1 4.25Å; F354-Y466 AromaticContact CE1-CE1 3.74Å; F354-Y466 HydrophobicContact CE1-CE1 3.74Å; F354-Y466 HydrophobicContact CE1-CE2 4.12Å; F354-Y466 AromaticContact CE1-CZ 3.7Å; F354-Y466 HydrophobicContact CZ-CE1 4.1Å; F354-Y466 HydrophobicContact CZ-CE2 4.31Å; F354-Y466 AromaticContact CZ-CZ 3.74Å
355	D	92.3	Very high	90.4	Very high	106 Å²	106	57.3 Å²	57.3	57%	0.567	31%	0.307	S	S	*	.			trans	-93	142.9	173	-58.4	-68.1	0	0	0	110.3	Q374 K375	D355-Q374 WeakPolarHBondContact OD1-CA 3.41Å; D355-Q374 WeakPolarHBondContact OD1-CB 3.46Å; D355-K375 PolarHBondContact OD1-N 3.32Å
356	Y	94.1	Very high	91.5	Very high	14 Å²	14	52.2 Å²	52.2	6%	0.055	29%	0.285	C	S	.	.	B	Isolated β-bridge	trans	-135.2	123.8	178.5	-179.1	-116.2	0	0	0	112.2	P358 D361 L371 S372 F373 W389 P408	Y356-P358 HydrophobicContact CE1-CB 3.85Å; Y356-P358 HydrophobicContact CE1-CG 4.34Å; Y356-D361 HydrophobicContact CE2-CB 4.28Å; Y356-D361 VanDerWaalsContact CE2-OD2 3.26Å; Y356-D361 WeakPolarHBondContact CE2-OD2 3.5Å; Y356-D361 PolarHBondContact OH-OD2 2.9Å; Y356-L371 WeakPolarHBondContact CD1-O 3.13Å; Y356-S372 WeakPolarHBondContact O-CA 3.5Å; Y356-F373 HydrophobicContact CD1-CD1 4.08Å; Y356-F373 AromaticContact CD1-CE1 3.6Å; Y356-F373 HydrophobicContact CD1-CE1 3.6Å; Y356-F373 HydrophobicContact CD1-CZ 4.18Å; Y356-F373 AromaticContact CG-CE1 3.88Å; Y356-F373 HydrophobicContact CG-CE1 3.88Å; Y356-F373 AromaticContact CG-CZ 3.99Å; Y356-F373 HydrophobicContact CG-CZ 3.99Å; Y356-F373 PolarHBondContact N-O 2.78Å; Y356-F373 PolarHBondContact O-N 2.9Å; Y356-W389 WeakPolarHBondContact OH-CH2 3.46Å; Y356-W389 WeakPolarHBondContact OH-CZ3 3.31Å; Y356-P408 HydrophobicContact CD1-CG 4.31Å; Y356-P408 HydrophobicContact CD2-CG 3.78Å; Y356-P408 HydrophobicContact CE1-CG 4.07Å; Y356-P408 HydrophobicContact CE2-CG 3.52Å; Y356-P408 HydrophobicContact CG-CG 4.18Å
357	D	94.4	Very high	91.9	Very high	64 Å²	64	53.6 Å²	53.6	34%	0.342	28%	0.279	S	S	.	.			trans	-119.5	111.9	169.5	-161.6	-47.1	0	0	0	109.6	S359 D360	D357-S359 PolarHBondContact O-N 3.46Å; D357-S359 WeakPolarHBondContact OD1-CA 3.25Å; D357-S359 WeakPolarHBondContact OD1-CB 3.46Å; D357-S359 PolarHBondContact OD1-N 3Å; D357-S359 PolarHBondContact OD1-OG 2.81Å; D357-D360 PolarHBondContact O-N 2.84Å
358	P	93.3	Very high	91.7	Very high	10 Å²	10	56.8 Å²	56.8	7%	0.065	29%	0.29	C	S	.	.	T	Hydrogen-bonded Turn	trans	-69.5	-11.7	178.8	30.5	-35.7	0	0	0	112.6	Y356 D360 D361 G370	Y356-P358 HydrophobicContact CE1-CB 3.85Å; Y356-P358 HydrophobicContact CE1-CG 4.34Å; P358-D360 VanDerWaalsContact C-N 3.32Å; P358-D361 PolarHBondContact O-N 3.34Å; P358-G370 WeakPolarHBondContact CG-O 3.47Å
359	S	91.8	Very high	91.7	Very high	43 Å²	43	56.1 Å²	56.1	30%	0.301	29%	0.286	S	S	.	.	T	Hydrogen-bonded Turn	trans	-76.9	-19.6	176.4	77.8	0	0	0	0	113.1	D357 R367	D357-S359 PolarHBondContact O-N 3.46Å; D357-S359 WeakPolarHBondContact OD1-CA 3.25Å; D357-S359 WeakPolarHBondContact OD1-CB 3.46Å; D357-S359 PolarHBondContact OD1-N 3Å; D357-S359 PolarHBondContact OD1-OG 2.81Å; S359-R367 PolarHBondContact O-NH1 2.99Å; S359-R367 PolarHBondContact O-NH2 3.29Å
360	D	90.1	Very high	91.6	Very high	133 Å²	133	54.3 Å²	54.3	71%	0.711	28%	0.283	S	S	*	.	S	Bend	trans	-97	1.3	172	-70.8	-30.4	0	0	0	112.9	D357 P358 P362	D357-D360 PolarHBondContact O-N 2.84Å; P358-D360 VanDerWaalsContact C-N 3.32Å; D360-P362 WeakPolarHBondContact O-CD 3.45Å
361	D	89.4	Confident	91.5	Very high	5 Å²	5	54.2 Å²	54.2	3%	0.027	28%	0.282	C	S	.	.			trans	-96.6	116.8	-176.2	-160.1	-25.2	0	0	0	112.7	Y356 P358 Y363 V364 W389 R416	Y356-D361 HydrophobicContact CE2-CB 4.28Å; Y356-D361 VanDerWaalsContact CE2-OD2 3.26Å; Y356-D361 WeakPolarHBondContact CE2-OD2 3.5Å; Y356-D361 PolarHBondContact OH-OD2 2.9Å; P358-D361 PolarHBondContact O-N 3.34Å; D361-Y363 VanDerWaalsContact C-N 3.32Å; D361-Y363 WeakPolarHBondContact OD1-CB 2.9Å; D361-Y363 PolarHBondContact OD1-N 3.46Å; D361-V364 HydrophobicContact CB-CB 4.42Å; D361-W389 WeakPolarHBondContact OD2-CH2 3.18Å; D361-R416 IonicContact OD1-NH1 2.87Å; D361-R416 IonicContact OD1-NH2 3.85Å; D361-R416 IonicContact OD2-CZ 2.69Å; D361-R416 IonicContact OD2-NH1 2.84Å; D361-R416 PolarHBondContact OD2-NH1 3.25Å; D361-R416 IonicContact OD2-NH2 3.19Å; D361-R416 PolarHBondContact OD2-NH2 2.94Å
362	P	89.1	Confident	91.5	Very high	109 Å²	109	55.4 Å²	55.4	71%	0.708	29%	0.293	S	S	*	.	T	Hydrogen-bonded Turn	trans	-83	-5.7	175.2	34.9	-35.8	0	0	0	113.6	D360	D360-P362 WeakPolarHBondContact O-CD 3.45Å
363	Y	90.1	Very high	91.4	Very high	160 Å²	160	55.7 Å²	55.7	63%	0.627	29%	0.294	S	S	*	.	T	Hydrogen-bonded Turn	trans	-102.8	-2.3	-176.9	-56.3	-72	0	0	0	113.8	D361 P365 W389 F412	D361-Y363 VanDerWaalsContact C-N 3.32Å; D361-Y363 WeakPolarHBondContact OD1-CB 2.9Å; D361-Y363 PolarHBondContact OD1-N 3.46Å; Y363-P365 WeakPolarHBondContact O-CD 3.44Å; Y363-W389 VanDerWaalsContact O-CZ2 3.22Å; Y363-W389 WeakPolarHBondContact O-CZ2 3.09Å; Y363-F412 HydrophobicContact CG-CZ 4.49Å
364	V	91.1	Very high	91.4	Very high	19 Å²	19	57.2 Å²	57.2	12%	0.115	30%	0.302	C	S	.	.			trans	-69.1	123	-179.8	69	0	0	0	0	110.5	D361 C366 R367 W389	D361-V364 HydrophobicContact CB-CB 4.42Å; V364-C366 VanDerWaalsContact C-N 3.29Å; V364-C366 PolarHBondContact O-N 3.01Å; V364-R367 HydrophobicContact CG1-CB 4.11Å; V364-R367 HydrophobicContact CG1-CG 4.42Å; V364-W389 HydrophobicContact CB-CH2 3.95Å; V364-W389 HydrophobicContact CB-CZ2 4.35Å; V364-W389 HydrophobicContact CB-CZ3 4.42Å; V364-W389 HydrophobicContact CG2-CH2 4.12Å; V364-W389 HydrophobicContact CG2-CZ3 4.08Å
365	P	89.4	Confident	91.3	Very high	76 Å²	76	58.9 Å²	58.9	49%	0.494	31%	0.309	S	S	.	.	S	Bend	trans	-67.9	-25.5	-171.4	-24.1	34.1	0	0	0	114.8	Y363 W389	Y363-P365 WeakPolarHBondContact O-CD 3.44Å; P365-W389 VanDerWaalsContact CD-CE2 3.48Å; P365-W389 VanDerWaalsContact CG-CD1 3.49Å; P365-W389 HydrophobicContact CG-CD2 4.24Å; P365-W389 HydrophobicContact CG-CG 3.88Å
366	C	88.3	Confident	91.1	Very high	27 Å²	27	54.9 Å²	54.9	18%	0.182	29%	0.293	C	S	.	.			trans	-148.5	115	173	170.3	0	0	0	0	106.6	T270 V364 E368 L369	T270-C366 HydrophobicContact CG2-CB 4.22Å; V364-C366 VanDerWaalsContact C-N 3.29Å; V364-C366 PolarHBondContact O-N 3.01Å; C366-E368 VanDerWaalsContact C-N 3.28Å; C366-E368 PolarHBondContact O-N 3.31Å; C366-E368 PolarHBondContact SG-OE2 2.95Å; C366-L369 HydrophobicContact CB-CB 4.44Å; C366-L369 HydrophobicContact CB-CD1 4.17Å; C366-L369 HydrophobicContact CB-CG 4.46Å; C366-L369 PolarHBondContact O-N 2.9Å
367	R	88.1	Confident	91.1	Very high	130 Å²	130	55.9 Å²	55.9	49%	0.491	30%	0.299	S	S	.	.	G	3₁₀ helix	trans	-72.4	-28.5	-170.4	-174.9	178.9	176.4	89.9	-4.9	111.7	S359 V364 L369 G370	S359-R367 PolarHBondContact O-NH1 2.99Å; S359-R367 PolarHBondContact O-NH2 3.29Å; V364-R367 HydrophobicContact CG1-CB 4.11Å; V364-R367 HydrophobicContact CG1-CG 4.42Å; R367-L369 VanDerWaalsContact C-N 3.28Å; R367-L369 PolarHBondContact O-N 3.32Å; R367-G370 PolarHBondContact O-N 2.85Å
368	E	86.4	Confident	91.1	Very high	138 Å²	138	53.5 Å²	53.5	65%	0.645	29%	0.286	S	S	*	.	G	3₁₀ helix	trans	-69.2	-26.4	179.2	-58.6	61.2	-133.3	0	0	111.8	C366	C366-E368 VanDerWaalsContact C-N 3.28Å; C366-E368 PolarHBondContact O-N 3.31Å; C366-E368 PolarHBondContact SG-OE2 2.95Å
369	L	91.6	Very high	91.2	Very high	28 Å²	28	53 Å²	53	15%	0.147	28%	0.283	C	S	.	.	G	3₁₀ helix	trans	-95.1	-3.2	175.1	-67.8	174.3	0	0	0	113.3	T270 V284 C366 R367 L371 G405 L406	T270-L369 HydrophobicContact CG2-CD1 3.47Å; T270-L369 VanDerWaalsContact CG2-CD1 3.47Å; V284-L369 HydrophobicContact CG1-CD2 4.35Å; V284-L369 HydrophobicContact CG2-CD1 3.69Å; C366-L369 HydrophobicContact CB-CB 4.44Å; C366-L369 HydrophobicContact CB-CD1 4.17Å; C366-L369 HydrophobicContact CB-CG 4.46Å; C366-L369 PolarHBondContact O-N 2.9Å; R367-L369 VanDerWaalsContact C-N 3.28Å; R367-L369 PolarHBondContact O-N 3.32Å; L369-L371 PolarHBondContact O-N 3.43Å; L369-G405 CarbonylContact O-C 3.54Å; L369-G405 WeakPolarHBondContact O-CA 3.48Å; L369-L406 HydrophobicContact CB-CD1 4.11Å; L369-L406 HydrophobicContact CB-CG 4.03Å; L369-L406 PolarHBondContact O-N 2.89Å
370	G	93.2	Very high	91.3	Very high	19 Å²	19	52.1 Å²	52.1	20%	0.196	27%	0.274	C	S	.	.	B	Isolated β-bridge	trans	-64.1	122.1	-177.1	0	0	0	0	0	112.4	P358 R367	P358-G370 WeakPolarHBondContact CG-O 3.47Å; R367-G370 PolarHBondContact O-N 2.85Å
371	L	94.4	Very high	91.6	Very high	4 Å²	4	45.8 Å²	45.8	2%	0.021	24%	0.24	C	C	.	.			trans	-91.1	107.8	177.1	178.1	59.5	0	0	0	110.6	Y356 L369 F373 L379 A392 R394 L406 I407	Y356-L371 WeakPolarHBondContact CD1-O 3.13Å; L369-L371 PolarHBondContact O-N 3.43Å; L371-F373 WeakPolarHBondContact O-CD1 3.19Å; L371-L379 HydrophobicContact CD2-CD2 4.26Å; L371-A392 HydrophobicContact CD2-CB 4.3Å; L371-R394 HydrophobicContact CD1-CB 4.28Å; L371-R394 HydrophobicContact CD2-CB 4.39Å; L371-L406 PolarHBondContact N-O 2.95Å; L371-I407 HydrophobicContact CB-CG2 3.81Å; L371-I407 HydrophobicContact CD2-CG2 3.94Å; L371-I407 HydrophobicContact CG-CG2 4.12Å
372	S	94.7	Very high	91.7	Very high	46 Å²	46	47.1 Å²	47.1	32%	0.322	25%	0.247	S	C	.	.			trans	-72.3	143.1	171.7	64.6	0	0	0	0	112.3	Y356 R394	Y356-S372 WeakPolarHBondContact O-CA 3.5Å; S372-R394 PolarHBondContact O-NH1 3.33Å
373	F	94.6	Very high	91.9	Very high	5 Å²	5	42.6 Å²	42.6	2%	0.022	22%	0.218	C	C	.	.	B	Isolated β-bridge	trans	-153.6	164.6	176.1	59.4	-99.2	0	0	0	112	A352 F354 Y356 L371 D377 L379 I407 Y466	A352-F373 HydrophobicContact CB-CD2 3.47Å; A352-F373 VanDerWaalsContact CB-CD2 3.47Å; A352-F373 HydrophobicContact CB-CE2 3.55Å; A352-F373 HydrophobicContact CB-CG 4.46Å; F354-F373 HydrophobicContact CD2-CE2 4.38Å; F354-F373 HydrophobicContact CE1-CE2 4.11Å; F354-F373 HydrophobicContact CE1-CZ 4.17Å; F354-F373 AromaticContact CE2-CE2 3.99Å; F354-F373 HydrophobicContact CE2-CE2 3.99Å; F354-F373 AromaticContact CE2-CZ 3.86Å; F354-F373 HydrophobicContact CE2-CZ 3.86Å; F354-F373 AromaticContact CZ-CE2 3.84Å; F354-F373 HydrophobicContact CZ-CE2 3.84Å; F354-F373 AromaticContact CZ-CZ 3.56Å; F354-F373 HydrophobicContact CZ-CZ 3.56Å; Y356-F373 HydrophobicContact CD1-CD1 4.08Å; Y356-F373 AromaticContact CD1-CE1 3.6Å; Y356-F373 HydrophobicContact CD1-CE1 3.6Å; Y356-F373 HydrophobicContact CD1-CZ 4.18Å; Y356-F373 AromaticContact CG-CE1 3.88Å; Y356-F373 HydrophobicContact CG-CE1 3.88Å; Y356-F373 AromaticContact CG-CZ 3.99Å; Y356-F373 HydrophobicContact CG-CZ 3.99Å; Y356-F373 PolarHBondContact N-O 2.78Å; Y356-F373 PolarHBondContact O-N 2.9Å; L371-F373 WeakPolarHBondContact O-CD1 3.19Å; F373-D377 HydrophobicContact CB-CB 4.37Å; F373-L379 HydrophobicContact CB-CD2 4.03Å; F373-L379 HydrophobicContact CD1-CD1 3.79Å; F373-L379 HydrophobicContact CD1-CD2 4.26Å; F373-L379 HydrophobicContact CD2-CD1 4.29Å; F373-L379 HydrophobicContact CE1-CD1 3.92Å; F373-L379 HydrophobicContact CE2-CD1 4.41Å; F373-L379 HydrophobicContact CG-CD1 3.98Å; F373-L379 HydrophobicContact CG-CD2 4.26Å; F373-L379 HydrophobicContact CZ-CD1 4.22Å; F373-I407 HydrophobicContact CD1-CG2 3.92Å; F373-I407 HydrophobicContact CE1-CB 3.89Å; F373-I407 HydrophobicContact CE1-CG2 3.63Å; F373-Y466 HydrophobicContact CE2-CE1 4.27Å; F373-Y466 AromaticContact CZ-CE1 3.9Å; F373-Y466 HydrophobicContact CZ-CE1 3.9Å; F373-Y466 WeakPolarHBondContact CZ-OH 3.16Å
374	Q	91.5	Very high	92	Very high	44 Å²	44	38.8 Å²	38.8	21%	0.206	21%	0.206	C	C	.	.			trans	-118.5	159.2	-178.6	-59.8	-169.5	-54.3	0	0	112.2	D355 G376 D377	D355-Q374 WeakPolarHBondContact OD1-CA 3.41Å; D355-Q374 WeakPolarHBondContact OD1-CB 3.46Å; Q374-G376 PolarHBondContact O-N 3.08Å; Q374-D377 PolarHBondContact N-OD2 2.88Å; Q374-D377 WeakPolarHBondContact O-CB 3.44Å; Q374-D377 PolarHBondContact O-N 3.39Å
375	K	89.5	Confident	91.9	Very high	56 Å²	56	43.5 Å²	43.5	24%	0.243	23%	0.226	C	C	.	.	T	Hydrogen-bonded Turn	trans	-59.6	109	176.8	179.4	169.3	-173.4	167.9	0	111.1	H353 F354 D355	H353-K375 VanDerWaalsContact O-CD 3.22Å; H353-K375 WeakPolarHBondContact O-CD 3.28Å; H353-K375 WeakPolarHBondContact O-CE 3.44Å; H353-K375 WeakPolarHBondContact O-CG 3.08Å; F354-K375 PolarHBondContact O-N 2.72Å; D355-K375 PolarHBondContact OD1-N 3.32Å
376	G	88.8	Confident	91.9	Very high	22 Å²	22	41.7 Å²	41.7	23%	0.227	21%	0.213	C	C	.	.	T	Hydrogen-bonded Turn	trans	113.1	-11.2	-178.5	0	0	0	0	0	114.6	A352 Q374	A352-G376 PolarHBondContact O-N 2.85Å; Q374-G376 PolarHBondContact O-N 3.08Å
377	D	92.4	Very high	92	Very high	35 Å²	35	44 Å²	44	19%	0.187	23%	0.227	C	C	.	.			trans	-65	150.3	173.4	-67.7	-11.8	0	0	0	110.6	K351 A352 F373 Q374	K351-D377 WeakPolarHBondContact CA-O 3.24Å; A352-D377 PolarHBondContact N-O 3.36Å; F373-D377 HydrophobicContact CB-CB 4.37Å; Q374-D377 PolarHBondContact N-OD2 2.88Å; Q374-D377 WeakPolarHBondContact O-CB 3.44Å; Q374-D377 PolarHBondContact O-N 3.39Å
378	I	94.6	Very high	92.3	Very high	15 Å²	15	41.2 Å²	41.2	8%	0.077	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.8	136.8	174.5	-57.9	-65.9	0	0	0	109	V350 K351 D395 M469 W668	V350-I378 CarbonylContact O-C 3.59Å; V350-I378 WeakPolarHBondContact O-CA 3.48Å; K351-I378 HydrophobicContact CB-CD1 3.75Å; K351-I378 HydrophobicContact CD-CD1 4.47Å; K351-I378 HydrophobicContact CG-CD1 4.02Å; I378-D395 HydrophobicContact CB-CB 3.69Å; I378-D395 HydrophobicContact CG2-CB 4.09Å; I378-D395 WeakPolarHBondContact O-CB 3.23Å; I378-D395 PolarHBondContact O-N 3.39Å; I378-M469 HydrophobicContact CD1-CG 4.12Å; I378-W668 HydrophobicContact CD1-CB 4.24Å; I378-W668 HydrophobicContact CD1-CD2 4.48Å; I378-W668 HydrophobicContact CD1-CG 4.02Å; I378-W668 HydrophobicContact CG1-CD2 4.47Å; I378-W668 HydrophobicContact CG1-CG 4.08Å; I378-W668 HydrophobicContact CG2-CD2 4.33Å; I378-W668 HydrophobicContact CG2-CZ2 4.08Å
379	L	95.8	Very high	92.8	Very high	0 Å²	0	35.3 Å²	35.3	0%	0	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.5	132.3	-177.8	-55.5	173.8	0	0	0	109.5	H349 V350 A352 L371 F373 Y393 R394 I407 Y466	H349-L379 WeakPolarHBondContact CA-O 3.33Å; V350-L379 HydrophobicContact CG2-CB 3.92Å; V350-L379 PolarHBondContact N-O 2.73Å; V350-L379 PolarHBondContact O-N 2.93Å; A352-L379 HydrophobicContact CB-CD1 4.32Å; L371-L379 HydrophobicContact CD2-CD2 4.26Å; F373-L379 HydrophobicContact CB-CD2 4.03Å; F373-L379 HydrophobicContact CD1-CD1 3.79Å; F373-L379 HydrophobicContact CD1-CD2 4.26Å; F373-L379 HydrophobicContact CD2-CD1 4.29Å; F373-L379 HydrophobicContact CE1-CD1 3.92Å; F373-L379 HydrophobicContact CE2-CD1 4.41Å; F373-L379 HydrophobicContact CG-CD1 3.98Å; F373-L379 HydrophobicContact CG-CD2 4.26Å; F373-L379 HydrophobicContact CZ-CD1 4.22Å; L379-Y393 CarbonylContact C-O 3.51Å; L379-Y393 WeakPolarHBondContact CA-O 3.33Å; L379-R394 HydrophobicContact CD2-CB 4.06Å; L379-R394 HydrophobicContact CD2-CG 4.07Å; L379-I407 HydrophobicContact CD1-CD1 3.83Å; L379-I407 HydrophobicContact CD1-CG2 4.5Å; L379-Y466 HydrophobicContact CD1-CD1 4.42Å; L379-Y466 HydrophobicContact CD1-CE1 3.84Å
380	H	94.8	Very high	93	Very high	23 Å²	23	35.2 Å²	35.2	11%	0.106	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.1	92.2	178.1	-56.8	-102.7	0	0	0	107.4	V347 H349 I382 A392 Y393 D395	V347-H380 HydrophobicContact CG1-CB 4.33Å; H349-H380 AromaticContact CE1-CE1 3.91Å; H349-H380 AromaticContact CE1-ND1 3.34Å; H349-H380 PolarHBondContact CE1-ND1 3.16Å; H349-H380 VanDerWaalsContact CE1-ND1 3.34Å; H349-H380 AromaticContact ND1-CE1 3.55Å; H349-H380 AromaticContact ND1-ND1 3.11Å; H349-H380 PolarHBondContact ND1-ND1 3.31Å; H349-H380 VanDerWaalsContact ND1-ND1 3.11Å; H380-I382 PolarHBondContact O-N 2.94Å; H380-A392 WeakPolarHBondContact O-CA 3.25Å; H380-A392 WeakPolarHBondContact O-CB 3.3Å; H380-Y393 PolarHBondContact N-O 2.68Å; H380-Y393 PolarHBondContact O-N 3.13Å; H380-D395 WeakPolarHBondContact NE2-CA 3.42Å; H380-D395 WeakPolarHBondContact NE2-CB 3.42Å
381	V	95.3	Very high	93.1	Very high	1 Å²	1	34.5 Å²	34.5	1%	0.006	18%	0.183	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.7	114.6	-177.7	-173.3	0	0	0	0	108.9	V347 I348 V350 Q384 W390 A392 I407	V347-V381 WeakPolarHBondContact CA-O 3.36Å; I348-V381 HydrophobicContact CB-CB 4.49Å; I348-V381 PolarHBondContact N-O 3.21Å; I348-V381 WeakPolarHBondContact O-CB 3.44Å; I348-V381 PolarHBondContact O-N 2.91Å; V350-V381 HydrophobicContact CG1-CG2 4.39Å; V350-V381 HydrophobicContact CG2-CG2 3.83Å; V381-Q384 HydrophobicContact CG1-CG 3.66Å; V381-W390 HydrophobicContact CG1-CB 3.92Å; V381-W390 HydrophobicContact CG1-CD2 4.21Å; V381-W390 HydrophobicContact CG1-CE3 3.96Å; V381-W390 HydrophobicContact CG1-CG 4.25Å; V381-W390 HydrophobicContact CG2-CE3 4.17Å; V381-A392 HydrophobicContact CG2-CB 4.28Å; V381-I407 HydrophobicContact CG2-CD1 4.04Å
382	I	92.8	Very high	93.1	Very high	33 Å²	33	34.3 Å²	34.3	17%	0.169	18%	0.182	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.3	-22.7	-171.8	65.9	-175.3	0	0	0	113.4	K285 V347 H380 Q391 Y393 A404	K285-I382 HydrophobicContact CB-CD1 3.42Å; K285-I382 VanDerWaalsContact CB-CD1 3.42Å; K285-I382 HydrophobicContact CB-CG1 4.13Å; K285-I382 HydrophobicContact CG-CD1 4.04Å; K285-I382 HydrophobicContact CG-CG1 4.24Å; V347-I382 HydrophobicContact CG1-CG2 4.09Å; V347-I382 HydrophobicContact CG2-CG2 4Å; H380-I382 PolarHBondContact O-N 2.94Å; I382-Q391 HydrophobicContact CG1-CB 4.22Å; I382-Q391 PolarHBondContact N-O 3.34Å; I382-Y393 HydrophobicContact CD1-CD2 3.97Å; I382-Y393 HydrophobicContact CD1-CE2 3.49Å; I382-Y393 VanDerWaalsContact CD1-CE2 3.49Å; I382-Y393 HydrophobicContact CG2-CD2 4.34Å; I382-A404 HydrophobicContact CD1-CB 3.54Å; I382-A404 HydrophobicContact CG1-CB 4.38Å
383	S	92.1	Very high	93	Very high	13 Å²	13	34.6 Å²	34.6	9%	0.091	18%	0.177	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.7	137.2	168.3	178	0	0	0	0	111.2	E385 W390 Q391	S383-E385 WeakPolarHBondContact OG-CG 3.35Å; S383-E385 PolarHBondContact OG-N 3.2Å; S383-E385 PolarHBondContact OG-OE1 3.18Å; S383-W390 WeakPolarHBondContact O-CA 3.14Å; S383-Q391 PolarHBondContact N-O 3.24Å; S383-Q391 PolarHBondContact O-N 3.34Å
384	Q	92.2	Very high	93	Very high	81 Å²	81	36.9 Å²	36.9	38%	0.379	19%	0.185	S	C	.	.			trans	-121	20.4	175.8	-60.6	-175.2	-34.4	0	0	111.4	V381 D386 W390	V381-Q384 HydrophobicContact CG1-CG 3.66Å; Q384-D386 VanDerWaalsContact C-N 3.27Å; Q384-D386 PolarHBondContact O-N 3.03Å; Q384-W390 HydrophobicContact CB-CG 4.42Å; Q384-W390 HydrophobicContact CG-CD2 3.93Å; Q384-W390 HydrophobicContact CG-CG 3.96Å; Q384-W390 HydrophobicContact CG-CZ2 4.45Å; Q384-W390 VanDerWaalsContact NE2-CH2 3.3Å
385	E	88.9	Confident	92.8	Very high	117 Å²	117	38.2 Å²	38.2	55%	0.547	19%	0.194	S	C	.	.	S	Bend	trans	-56.4	-38.8	-178.9	-77.9	171.3	-98.4	0	0	112.9	K339 S383	K339-E385 IonicContact NZ-OE2 2.72Å; K339-E385 PolarHBondContact NZ-OE2 3.45Å; S383-E385 WeakPolarHBondContact OG-CG 3.35Å; S383-E385 PolarHBondContact OG-N 3.2Å; S383-E385 PolarHBondContact OG-OE1 3.18Å
386	D	90.1	Very high	92.5	Very high	38 Å²	38	38.4 Å²	38.4	20%	0.203	21%	0.212	C	C	.	.	S	Bend	trans	-91.5	117.2	167	178.1	-19.3	0	0	0	108.8	R282 Q384 N388 W389 W390	R282-D386 IonicContact CZ-OD2 3.43Å; R282-D386 VanDerWaalsContact NH1-CB 3.3Å; R282-D386 IonicContact NH1-OD2 3.11Å; R282-D386 PolarHBondContact NH1-OD2 2.84Å; R282-D386 IonicContact NH2-OD2 2.81Å; R282-D386 PolarHBondContact NH2-OD2 3.48Å; Q384-D386 VanDerWaalsContact C-N 3.27Å; Q384-D386 PolarHBondContact O-N 3.03Å; D386-N388 PolarHBondContact O-N 2.87Å; D386-N388 WeakPolarHBondContact OD1-CA 3.5Å; D386-N388 WeakPolarHBondContact OD1-CB 3.4Å; D386-N388 PolarHBondContact OD1-N 2.78Å; D386-W389 PolarHBondContact O-N 3.35Å; D386-W389 PolarHBondContact OD1-N 2.76Å; D386-W389 VanDerWaalsContact OD1-N 3.14Å; D386-W390 VanDerWaalsContact O-CD1 3.23Å
387	P	90.8	Very high	92.1	Very high	76 Å²	76	39.2 Å²	39.2	49%	0.494	21%	0.211	S	C	.	.	S	Bend	trans	-69	-16.5	-177.5	29.3	-36.1	0	0	0	113.9
388	N	93.9	Very high	90.6	Very high	71 Å²	71	43.9 Å²	43.9	38%	0.38	23%	0.232	S	C	.	.	S	Bend	trans	-97	-27.5	-179.8	-61.9	-23.7	0	0	0	112.8	D386 G409 F412	D386-N388 PolarHBondContact O-N 2.87Å; D386-N388 WeakPolarHBondContact OD1-CA 3.5Å; D386-N388 WeakPolarHBondContact OD1-CB 3.4Å; D386-N388 PolarHBondContact OD1-N 2.78Å; N388-G409 PolarHBondContact O-N 3.13Å; N388-F412 HydrophobicContact CB-CB 4.14Å; N388-F412 HydrophobicContact CB-CD1 4.31Å; N388-F412 HydrophobicContact CB-CD2 4.49Å; N388-F412 HydrophobicContact CB-CG 4.08Å; N388-F412 WeakPolarHBondContact O-CD1 3.32Å
389	W	95.8	Very high	88.8	Confident	14 Å²	14	51 Å²	51	5%	0.053	27%	0.27	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.1	93.9	-175.3	-67.3	105.1	0	0	0	111.9	Y356 D361 Y363 V364 P365 D386 L406 I407 P408 F412	Y356-W389 WeakPolarHBondContact OH-CH2 3.46Å; Y356-W389 WeakPolarHBondContact OH-CZ3 3.31Å; D361-W389 WeakPolarHBondContact OD2-CH2 3.18Å; Y363-W389 VanDerWaalsContact O-CZ2 3.22Å; Y363-W389 WeakPolarHBondContact O-CZ2 3.09Å; V364-W389 HydrophobicContact CB-CH2 3.95Å; V364-W389 HydrophobicContact CB-CZ2 4.35Å; V364-W389 HydrophobicContact CB-CZ3 4.42Å; V364-W389 HydrophobicContact CG2-CH2 4.12Å; V364-W389 HydrophobicContact CG2-CZ3 4.08Å; P365-W389 VanDerWaalsContact CD-CE2 3.48Å; P365-W389 VanDerWaalsContact CG-CD1 3.49Å; P365-W389 HydrophobicContact CG-CD2 4.24Å; P365-W389 HydrophobicContact CG-CG 3.88Å; D386-W389 PolarHBondContact O-N 3.35Å; D386-W389 PolarHBondContact OD1-N 2.76Å; D386-W389 VanDerWaalsContact OD1-N 3.14Å; W389-L406 HydrophobicContact CE3-CB 4.2Å; W389-I407 WeakPolarHBondContact CA-O 3.35Å; W389-P408 HydrophobicContact CH2-CG 4.23Å; W389-P408 HydrophobicContact CZ3-CB 4.42Å; W389-P408 HydrophobicContact CZ3-CG 3.91Å; W389-F412 AromaticContact CE2-CE1 3.89Å; W389-F412 HydrophobicContact CH2-CE1 4.24Å; W389-F412 HydrophobicContact CZ2-CD1 4.36Å; W389-F412 AromaticContact CZ2-CE1 3.55Å; W389-F412 HydrophobicContact CZ2-CE1 3.55Å; W389-F412 HydrophobicContact CZ2-CZ 4.35Å
390	W	96.1	Very high	87.3	Confident	26 Å²	26	57.3 Å²	57.3	10%	0.098	30%	0.304	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.4	148.7	178.6	-60.7	-14.4	0	0	0	111.1	V381 S383 Q384 D386 L406 I407 K410 Y466	V381-W390 HydrophobicContact CG1-CB 3.92Å; V381-W390 HydrophobicContact CG1-CD2 4.21Å; V381-W390 HydrophobicContact CG1-CE3 3.96Å; V381-W390 HydrophobicContact CG1-CG 4.25Å; V381-W390 HydrophobicContact CG2-CE3 4.17Å; S383-W390 WeakPolarHBondContact O-CA 3.14Å; Q384-W390 HydrophobicContact CB-CG 4.42Å; Q384-W390 HydrophobicContact CG-CD2 3.93Å; Q384-W390 HydrophobicContact CG-CG 3.96Å; Q384-W390 HydrophobicContact CG-CZ2 4.45Å; Q384-W390 VanDerWaalsContact NE2-CH2 3.3Å; D386-W390 VanDerWaalsContact O-CD1 3.23Å; W390-L406 WeakPolarHBondContact O-CA 3.47Å; W390-I407 HydrophobicContact CB-CD1 4.42Å; W390-I407 HydrophobicContact CB-CG1 3.88Å; W390-I407 HydrophobicContact CE3-CD1 4.38Å; W390-I407 PolarHBondContact N-O 3.37Å; W390-I407 PolarHBondContact O-N 3.03Å; W390-K410 HydrophobicContact CH2-CB 3.41Å; W390-K410 VanDerWaalsContact CH2-CB 3.41Å; W390-K410 HydrophobicContact CZ2-CB 3.85Å; W390-K410 HydrophobicContact CZ3-CB 4.19Å; W390-Y466 HydrophobicContact CZ3-CD2 4Å; W390-Y466 HydrophobicContact CZ3-CE2 4.21Å
391	Q	95.1	Very high	86.2	Confident	4 Å²	4	58.8 Å²	58.8	2%	0.019	31%	0.31	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.2	129.5	171.2	-57.1	-167	43.3	0	0	109.4	I283 I382 S383 A404 G405 L406	I283-Q391 PolarHBondContact O-NE2 2.92Å; I382-Q391 HydrophobicContact CG1-CB 4.22Å; I382-Q391 PolarHBondContact N-O 3.34Å; S383-Q391 PolarHBondContact N-O 3.24Å; S383-Q391 PolarHBondContact O-N 3.34Å; Q391-A404 HydrophobicContact CB-CB 4.1Å; Q391-G405 WeakPolarHBondContact CA-O 3.18Å; Q391-L406 HydrophobicContact CG-CD2 4.23Å
392	A	95.4	Very high	85.5	Confident	0 Å²	0	62.7 Å²	62.7	0%	0	34%	0.336	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-148.8	161.5	-178.4	0	0	0	0	0	113.6	L371 H380 V381 G405 I407	L371-A392 HydrophobicContact CD2-CB 4.3Å; H380-A392 WeakPolarHBondContact O-CA 3.25Å; H380-A392 WeakPolarHBondContact O-CB 3.3Å; V381-A392 HydrophobicContact CG2-CB 4.28Å; A392-G405 PolarHBondContact N-O 2.83Å; A392-G405 PolarHBondContact O-N 3.22Å; A392-I407 HydrophobicContact CB-CD1 3.79Å; A392-I407 HydrophobicContact CB-CG1 4.24Å; A392-I407 HydrophobicContact CB-CG2 4.47Å
393	Y	93.2	Very high	85.4	Confident	52 Å²	52	62 Å²	62	20%	0.204	33%	0.333	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.9	160	160.7	-61	-76.1	0	0	0	110	K285 L379 H380 I382 Q401 P402 A404	K285-Y393 PolarHBondContact O-OH 2.71Å; L379-Y393 CarbonylContact C-O 3.51Å; L379-Y393 WeakPolarHBondContact CA-O 3.33Å; H380-Y393 PolarHBondContact N-O 2.68Å; H380-Y393 PolarHBondContact O-N 3.13Å; I382-Y393 HydrophobicContact CD1-CD2 3.97Å; I382-Y393 HydrophobicContact CD1-CE2 3.49Å; I382-Y393 VanDerWaalsContact CD1-CE2 3.49Å; I382-Y393 HydrophobicContact CG2-CD2 4.34Å; Y393-Q401 VanDerWaalsContact CE1-O 3.24Å; Y393-Q401 WeakPolarHBondContact CE1-O 3.3Å; Y393-P402 PolarHBondContact OH-O 3.39Å; Y393-A404 HydrophobicContact CE1-CB 4.1Å; Y393-A404 HydrophobicContact CE2-CB 4.12Å; Y393-A404 PolarHBondContact OH-N 2.76Å
394	R	93.2	Very high	85.4	Confident	54 Å²	54	61.4 Å²	61.4	20%	0.204	33%	0.329	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.7	136.8	172.7	-174.4	174.7	71.1	-147.4	5.9	110.1	L371 S372 L379 G396 D397	L371-R394 HydrophobicContact CD1-CB 4.28Å; L371-R394 HydrophobicContact CD2-CB 4.39Å; S372-R394 PolarHBondContact O-NH1 3.33Å; L379-R394 HydrophobicContact CD2-CB 4.06Å; L379-R394 HydrophobicContact CD2-CG 4.07Å; R394-G396 PolarHBondContact O-N 2.93Å; R394-D397 HydrophobicContact CB-CB 4.31Å; R394-D397 IonicContact CZ-OD1 2.8Å; R394-D397 IonicContact CZ-OD2 2.76Å; R394-D397 IonicContact NE-OD1 3.71Å; R394-D397 PolarHBondContact NE-OD1 2.96Å; R394-D397 IonicContact NE-OD2 3.18Å; R394-D397 IonicContact NH2-OD1 2.71Å; R394-D397 PolarHBondContact NH2-OD1 2.93Å; R394-D397 IonicContact NH2-OD2 3.17Å; R394-D397 PolarHBondContact NH2-OD2 2.66Å; R394-D397 PolarHBondContact O-N 3.11Å; R394-D397 VanDerWaalsContact O-N 3.09Å
395	D	88.6	Confident	85.5	Confident	71 Å²	71	57.6 Å²	57.6	38%	0.38	31%	0.31	S	S	.	.	T	Hydrogen-bonded Turn	trans	-55.5	121.7	177.1	-173.1	-3	0	0	0	110.2	I378 H380 W668	I378-D395 HydrophobicContact CB-CB 3.69Å; I378-D395 HydrophobicContact CG2-CB 4.09Å; I378-D395 WeakPolarHBondContact O-CB 3.23Å; I378-D395 PolarHBondContact O-N 3.39Å; H380-D395 WeakPolarHBondContact NE2-CA 3.42Å; H380-D395 WeakPolarHBondContact NE2-CB 3.42Å; D395-W668 PolarHBondContact OD2-NE1 3.44Å
396	G	82.2	Confident	85.8	Confident	61 Å²	61	52 Å²	52	63%	0.629	29%	0.285	S	S	*	.	T	Hydrogen-bonded Turn	trans	84.7	6.4	-178	0	0	0	0	0	117.2	R394	R394-G396 PolarHBondContact O-N 2.93Å
397	D	79.7	Confident	86.1	Confident	38 Å²	38	50.2 Å²	50.2	20%	0.203	28%	0.275	C	S	.	.			trans	-103.1	-0.2	173.9	-88.9	64.1	0	0	0	114	R394 D399 N400	R394-D397 HydrophobicContact CB-CB 4.31Å; R394-D397 IonicContact CZ-OD1 2.8Å; R394-D397 IonicContact CZ-OD2 2.76Å; R394-D397 IonicContact NE-OD1 3.71Å; R394-D397 PolarHBondContact NE-OD1 2.96Å; R394-D397 IonicContact NE-OD2 3.18Å; R394-D397 IonicContact NH2-OD1 2.71Å; R394-D397 PolarHBondContact NH2-OD1 2.93Å; R394-D397 IonicContact NH2-OD2 3.17Å; R394-D397 PolarHBondContact NH2-OD2 2.66Å; R394-D397 PolarHBondContact O-N 3.11Å; R394-D397 VanDerWaalsContact O-N 3.09Å; D397-D399 PolarHBondContact O-N 3.34Å; D397-N400 PolarHBondContact O-N 2.85Å
398	E	61.1	Low	86.4	Confident	133 Å²	133	46.6 Å²	46.6	62%	0.621	25%	0.252	S	S	*	.	G	3₁₀ helix	trans	-48.7	-47.9	-166.5	-58	-174.9	151.8	0	0	114.5	N400	E398-N400 PolarHBondContact O-N 3.04Å
399	D	58.6	Low	86.5	Confident	165 Å²	165	43.2 Å²	43.2	88%	0.882	23%	0.233	S	C	*	.	G	3₁₀ helix	trans	-63.2	-22.5	-179.3	-62.1	-50.4	0	0	0	114.3	D397	D397-D399 PolarHBondContact O-N 3.34Å
400	N	64.3	Low	86.3	Confident	133 Å²	133	46.2 Å²	46.2	71%	0.711	25%	0.247	S	C	*	.	G	3₁₀ helix	trans	-98.4	-14.5	-171.1	-65.6	-78.4	0	0	0	113.7	D397 E398	D397-N400 PolarHBondContact O-N 2.85Å; E398-N400 PolarHBondContact O-N 3.04Å
401	Q	71.7	Confident	86	Confident	53 Å²	53	48 Å²	48	25%	0.248	26%	0.263	C	S	.	.			trans	-136.6	88	-168.2	-153.1	-171	-55.7	0	0	112.3	Y393 L403	Y393-Q401 VanDerWaalsContact CE1-O 3.24Å; Y393-Q401 WeakPolarHBondContact CE1-O 3.3Å; Q401-L403 VanDerWaalsContact C-N 3.26Å; Q401-L403 WeakPolarHBondContact CG-O 3.33Å; Q401-L403 PolarHBondContact NE2-O 3.3Å; Q401-L403 PolarHBondContact O-N 3.11Å
402	P	79.7	Confident	85.9	Confident	84 Å²	84	49.1 Å²	49.1	55%	0.545	27%	0.268	S	S	.	.	S	Bend	trans	-70.7	-19.1	-177.5	28.2	-35.6	0	0	0	114.1	Y393	Y393-P402 PolarHBondContact OH-O 3.39Å
403	L	89.8	Confident	85.7	Confident	19 Å²	19	49.3 Å²	49.3	10%	0.099	27%	0.269	C	S	.	.	S	Bend	trans	-106.5	135	177.4	-63.5	179.3	0	0	0	110.1	P266 V284 Q401	P266-L403 HydrophobicContact CB-CD1 3.91Å; P266-L403 HydrophobicContact CG-CD1 4.1Å; V284-L403 HydrophobicContact CG1-CB 4.09Å; V284-L403 HydrophobicContact CG1-CD2 4.49Å; Q401-L403 VanDerWaalsContact C-N 3.26Å; Q401-L403 WeakPolarHBondContact CG-O 3.33Å; Q401-L403 PolarHBondContact NE2-O 3.3Å; Q401-L403 PolarHBondContact O-N 3.11Å
404	A	92.7	Very high	85.5	Confident	0 Å²	0	49.6 Å²	49.6	0%	0	27%	0.272	C	S	.	.	P	Polyproline II helix	trans	-63.6	141.7	173.8	0	0	0	0	0	111.5	V284 K285 I382 Q391 Y393	V284-A404 VanDerWaalsContact CG1-O 3.27Å; V284-A404 WeakPolarHBondContact CG1-O 3.41Å; K285-A404 HydrophobicContact CB-CB 4.1Å; K285-A404 PolarHBondContact O-N 3.42Å; I382-A404 HydrophobicContact CD1-CB 3.54Å; I382-A404 HydrophobicContact CG1-CB 4.38Å; Q391-A404 HydrophobicContact CB-CB 4.1Å; Y393-A404 HydrophobicContact CE1-CB 4.1Å; Y393-A404 HydrophobicContact CE2-CB 4.12Å; Y393-A404 PolarHBondContact OH-N 2.76Å
405	G	94.4	Very high	85.2	Confident	0 Å²	0	52 Å²	52	0%	0	29%	0.286	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.1	160.4	179.3	0	0	0	0	0	112.9	L369 Q391 A392	L369-G405 CarbonylContact O-C 3.54Å; L369-G405 WeakPolarHBondContact O-CA 3.48Å; Q391-G405 WeakPolarHBondContact CA-O 3.18Å; A392-G405 PolarHBondContact N-O 2.83Å; A392-G405 PolarHBondContact O-N 3.22Å
406	L	96.1	Very high	85.1	Confident	1 Å²	1	51.4 Å²	51.4	1%	0.005	28%	0.278	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.7	127.8	-179.1	-59.8	178.4	0	0	0	110.9	L369 L371 W389 W390 Q391	L369-L406 HydrophobicContact CB-CD1 4.11Å; L369-L406 HydrophobicContact CB-CG 4.03Å; L369-L406 PolarHBondContact O-N 2.89Å; L371-L406 PolarHBondContact N-O 2.95Å; W389-L406 HydrophobicContact CE3-CB 4.2Å; W390-L406 WeakPolarHBondContact O-CA 3.47Å; Q391-L406 HydrophobicContact CG-CD2 4.23Å
407	I	96.8	Very high	85.2	Confident	0 Å²	0	51 Å²	51	0%	0	26%	0.26	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.7	150.7	170.8	65	174.4	0	0	0	110.7	L371 F373 L379 V381 W389 W390 A392 G409 Y466	L371-I407 HydrophobicContact CB-CG2 3.81Å; L371-I407 HydrophobicContact CD2-CG2 3.94Å; L371-I407 HydrophobicContact CG-CG2 4.12Å; F373-I407 HydrophobicContact CD1-CG2 3.92Å; F373-I407 HydrophobicContact CE1-CB 3.89Å; F373-I407 HydrophobicContact CE1-CG2 3.63Å; L379-I407 HydrophobicContact CD1-CD1 3.83Å; L379-I407 HydrophobicContact CD1-CG2 4.5Å; V381-I407 HydrophobicContact CG2-CD1 4.04Å; W389-I407 WeakPolarHBondContact CA-O 3.35Å; W390-I407 HydrophobicContact CB-CD1 4.42Å; W390-I407 HydrophobicContact CB-CG1 3.88Å; W390-I407 HydrophobicContact CE3-CD1 4.38Å; W390-I407 PolarHBondContact N-O 3.37Å; W390-I407 PolarHBondContact O-N 3.03Å; A392-I407 HydrophobicContact CB-CD1 3.79Å; A392-I407 HydrophobicContact CB-CG1 4.24Å; A392-I407 HydrophobicContact CB-CG2 4.47Å; I407-G409 PolarHBondContact O-N 3.04Å; I407-Y466 HydrophobicContact CD1-CE1 4.4Å
408	P	96.7	Very high	85.4	Confident	0 Å²	0	51 Å²	51	0%	0	27%	0.265	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-61.3	127.1	175.7	-22	33.3	0	0	0	110.9	Y356 W389 F412 Q413 Y466	Y356-P408 HydrophobicContact CD1-CG 4.31Å; Y356-P408 HydrophobicContact CD2-CG 3.78Å; Y356-P408 HydrophobicContact CE1-CG 4.07Å; Y356-P408 HydrophobicContact CE2-CG 3.52Å; Y356-P408 HydrophobicContact CG-CG 4.18Å; W389-P408 HydrophobicContact CH2-CG 4.23Å; W389-P408 HydrophobicContact CZ3-CB 4.42Å; W389-P408 HydrophobicContact CZ3-CG 3.91Å; P408-F412 HydrophobicContact CB-CD1 4.21Å; P408-Q413 HydrophobicContact CB-CB 4.4Å; P408-Y466 WeakPolarHBondContact O-CE2 3.4Å; P408-Y466 PolarHBondContact O-OH 2.99Å
409	G	94.9	Very high	86.4	Confident	0 Å²	0	49.6 Å²	49.6	0%	0	26%	0.26	C	S	.	.			trans	-65.4	151	175.6	0	0	0	0	0	112.3	N388 I407 S411 F412 Q413	N388-G409 PolarHBondContact O-N 3.13Å; I407-G409 PolarHBondContact O-N 3.04Å; G409-S411 PolarHBondContact O-N 2.94Å; G409-F412 PolarHBondContact O-N 3.43Å; G409-Q413 PolarHBondContact O-N 2.95Å
410	K	92.6	Very high	87.4	Confident	77 Å²	77	46.1 Å²	46.1	34%	0.335	24%	0.237	S	C	.	.	H	α-helix	trans	-55.9	-44.5	-169.4	-177.7	163	-179.3	164.3	0	114.2	W390 Q413 Q414 T465 Y466	W390-K410 HydrophobicContact CH2-CB 3.41Å; W390-K410 VanDerWaalsContact CH2-CB 3.41Å; W390-K410 HydrophobicContact CZ2-CB 3.85Å; W390-K410 HydrophobicContact CZ3-CB 4.19Å; K410-Q413 PolarHBondContact O-N 3.26Å; K410-Q414 VanDerWaalsContact O-CG 3.31Å; K410-Q414 WeakPolarHBondContact O-CG 3.29Å; K410-Q414 PolarHBondContact O-N 3.12Å; K410-T465 WeakPolarHBondContact CE-OG1 3.43Å; K410-Y466 HydrophobicContact CB-CD2 4.05Å; K410-Y466 HydrophobicContact CG-CD2 4.44Å; K410-Y466 PolarHBondContact NZ-O 3Å
411	S	89.8	Confident	87.9	Confident	64 Å²	64	43.5 Å²	43.5	45%	0.448	22%	0.22	S	C	.	.	H	α-helix	trans	-66.4	-39	176.8	44.7	0	0	0	0	112.5	G409 Q414 Q415	G409-S411 PolarHBondContact O-N 2.94Å; S411-Q414 PolarHBondContact O-N 3.4Å; S411-Q415 PolarHBondContact O-N 2.95Å
412	F	91.7	Very high	87.9	Confident	26 Å²	26	44.7 Å²	44.7	11%	0.114	23%	0.231	C	C	.	.	H	α-helix	trans	-67.1	-41.4	176.7	-178	-124.8	0	0	0	111.7	Y363 N388 W389 P408 G409 Q415 R416	Y363-F412 HydrophobicContact CG-CZ 4.49Å; N388-F412 HydrophobicContact CB-CB 4.14Å; N388-F412 HydrophobicContact CB-CD1 4.31Å; N388-F412 HydrophobicContact CB-CD2 4.49Å; N388-F412 HydrophobicContact CB-CG 4.08Å; N388-F412 WeakPolarHBondContact O-CD1 3.32Å; W389-F412 AromaticContact CE2-CE1 3.89Å; W389-F412 HydrophobicContact CH2-CE1 4.24Å; W389-F412 HydrophobicContact CZ2-CD1 4.36Å; W389-F412 AromaticContact CZ2-CE1 3.55Å; W389-F412 HydrophobicContact CZ2-CE1 3.55Å; W389-F412 HydrophobicContact CZ2-CZ 4.35Å; P408-F412 HydrophobicContact CB-CD1 4.21Å; G409-F412 PolarHBondContact O-N 3.43Å; F412-Q415 WeakPolarHBondContact O-CB 3.39Å; F412-Q415 PolarHBondContact O-N 2.98Å; F412-R416 HydrophobicContact CZ-CG 4.49Å; F412-R416 VanDerWaalsContact O-CG 3.32Å; F412-R416 WeakPolarHBondContact O-CG 3.26Å; F412-R416 PolarHBondContact O-N 3.33Å
413	Q	92.3	Very high	87.4	Confident	4 Å²	4	45.1 Å²	45.1	2%	0.019	23%	0.228	C	C	.	.	H	α-helix	trans	-65.9	-38.7	173.1	-176.6	60.3	15.1	0	0	112.6	F354 P408 G409 K410 Q415 R416 E417 T465	F354-Q413 HydrophobicContact CD1-CG 4.37Å; F354-Q413 HydrophobicContact CD2-CG 4.39Å; F354-Q413 HydrophobicContact CE1-CG 3.88Å; F354-Q413 VanDerWaalsContact CE2-CD 3.49Å; F354-Q413 HydrophobicContact CE2-CG 3.87Å; F354-Q413 HydrophobicContact CZ-CB 4.33Å; F354-Q413 HydrophobicContact CZ-CG 3.59Å; P408-Q413 HydrophobicContact CB-CB 4.4Å; G409-Q413 PolarHBondContact O-N 2.95Å; K410-Q413 PolarHBondContact O-N 3.26Å; Q413-Q415 VanDerWaalsContact C-N 3.3Å; Q413-Q415 PolarHBondContact O-N 3.28Å; Q413-R416 PolarHBondContact O-N 2.62Å; Q413-E417 PolarHBondContact NE2-OE1 3.22Å; Q413-E417 VanDerWaalsContact NE2-OE1 3.1Å; Q413-E417 PolarHBondContact O-N 3.26Å; Q413-E417 VanDerWaalsContact O-N 3.1Å; Q413-T465 HydrophobicContact CB-CG2 3.94Å; Q413-T465 HydrophobicContact CG-CG2 3.65Å
414	Q	89.4	Confident	86	Confident	58 Å²	58	49.3 Å²	49.3	27%	0.271	25%	0.247	S	C	.	.	H	α-helix	trans	-58.9	-41.3	172	-76.1	173.5	-28.7	0	0	112	K410 S411 A418 I463 T465	K410-Q414 VanDerWaalsContact O-CG 3.31Å; K410-Q414 WeakPolarHBondContact O-CG 3.29Å; K410-Q414 PolarHBondContact O-N 3.12Å; S411-Q414 PolarHBondContact O-N 3.4Å; Q414-A418 VanDerWaalsContact O-CB 3.31Å; Q414-A418 WeakPolarHBondContact O-CB 3.35Å; Q414-A418 PolarHBondContact O-N 2.7Å; Q414-A418 VanDerWaalsContact O-N 3.13Å; Q414-I463 HydrophobicContact CG-CB 4.4Å; Q414-I463 HydrophobicContact CG-CG2 4.36Å; Q414-T465 HydrophobicContact CG-CG2 3.82Å
415	Q	87	Confident	84.1	Confident	104 Å²	104	56.7 Å²	56.7	49%	0.486	28%	0.282	S	S	.	.	H	α-helix	trans	-64.6	-39.7	175.2	-172	-179.4	-68.8	0	0	112.2	S411 F412 Q413 M419	S411-Q415 PolarHBondContact O-N 2.95Å; F412-Q415 WeakPolarHBondContact O-CB 3.39Å; F412-Q415 PolarHBondContact O-N 2.98Å; Q413-Q415 VanDerWaalsContact C-N 3.3Å; Q413-Q415 PolarHBondContact O-N 3.28Å; Q415-M419 HydrophobicContact CG-CE 3.8Å; Q415-M419 HydrophobicContact CG-SD 4.17Å; Q415-M419 WeakPolarHBondContact O-CB 3.11Å; Q415-M419 VanDerWaalsContact O-CG 3.3Å; Q415-M419 WeakPolarHBondContact O-CG 3.48Å; Q415-M419 PolarHBondContact O-N 3.13Å
416	R	86.5	Confident	82.1	Confident	60 Å²	60	63.2 Å²	63.2	23%	0.226	32%	0.317	C	S	.	.	H	α-helix	trans	-63.1	-50.3	179.6	-72.2	163.9	69.1	143.7	5.8	112.4	D361 F412 Q413 M419 K420	D361-R416 IonicContact OD1-NH1 2.87Å; D361-R416 IonicContact OD1-NH2 3.85Å; D361-R416 IonicContact OD2-CZ 2.69Å; D361-R416 IonicContact OD2-NH1 2.84Å; D361-R416 PolarHBondContact OD2-NH1 3.25Å; D361-R416 IonicContact OD2-NH2 3.19Å; D361-R416 PolarHBondContact OD2-NH2 2.94Å; F412-R416 HydrophobicContact CZ-CG 4.49Å; F412-R416 VanDerWaalsContact O-CG 3.32Å; F412-R416 WeakPolarHBondContact O-CG 3.26Å; F412-R416 PolarHBondContact O-N 3.33Å; Q413-R416 PolarHBondContact O-N 2.62Å; R416-M419 PolarHBondContact O-N 3Å; R416-K420 WeakPolarHBondContact O-CB 3.24Å; R416-K420 PolarHBondContact O-N 3.08Å
417	E	84.6	Confident	79.9	Confident	51 Å²	51	70 Å²	70	24%	0.238	35%	0.346	C	S	.	.	H	α-helix	trans	-67.1	-39.2	178.2	-66.1	-54.7	133.7	0	0	112	Q413 M419 K420 Q421 I463	Q413-E417 PolarHBondContact NE2-OE1 3.22Å; Q413-E417 VanDerWaalsContact NE2-OE1 3.1Å; Q413-E417 PolarHBondContact O-N 3.26Å; Q413-E417 VanDerWaalsContact O-N 3.1Å; E417-M419 VanDerWaalsContact C-N 3.34Å; E417-M419 PolarHBondContact O-N 3.46Å; E417-K420 PolarHBondContact O-N 3.04Å; E417-K420 IonicContact OE1-NZ 3.64Å; E417-K420 IonicContact OE2-NZ 2.66Å; E417-K420 PolarHBondContact OE2-NZ 3.06Å; E417-Q421 WeakPolarHBondContact O-CG 3.47Å; E417-Q421 PolarHBondContact O-N 3.15Å; E417-I463 HydrophobicContact CB-CG2 3.75Å; E417-I463 HydrophobicContact CG-CG2 4.13Å
418	A	83.3	Confident	76.9	Confident	39 Å²	39	76.5 Å²	76.5	32%	0.322	38%	0.377	S	S	.	.	H	α-helix	trans	-61.7	-39.7	175.3	0	0	0	0	0	112.5	Q414 T422 I463	Q414-A418 VanDerWaalsContact O-CB 3.31Å; Q414-A418 WeakPolarHBondContact O-CB 3.35Å; Q414-A418 PolarHBondContact O-N 2.7Å; Q414-A418 VanDerWaalsContact O-N 3.13Å; A418-T422 PolarHBondContact O-N 3.46Å; A418-I463 HydrophobicContact CB-CD1 4.44Å
419	M	80.8	Confident	74.4	Confident	104 Å²	104	80.5 Å²	80.5	51%	0.512	40%	0.403	S	S	.	.	H	α-helix	trans	-64.4	-46.4	173.1	-75.5	177.5	173.5	0	0	111.4	Q415 R416 E417 Q421 T422 I423	Q415-M419 HydrophobicContact CG-CE 3.8Å; Q415-M419 HydrophobicContact CG-SD 4.17Å; Q415-M419 WeakPolarHBondContact O-CB 3.11Å; Q415-M419 VanDerWaalsContact O-CG 3.3Å; Q415-M419 WeakPolarHBondContact O-CG 3.48Å; Q415-M419 PolarHBondContact O-N 3.13Å; R416-M419 PolarHBondContact O-N 3Å; E417-M419 VanDerWaalsContact C-N 3.34Å; E417-M419 PolarHBondContact O-N 3.46Å; M419-Q421 PolarHBondContact O-N 3.28Å; M419-T422 PolarHBondContact O-N 3.42Å; M419-T422 PolarHBondContact O-OG1 3.21Å; M419-I423 WeakPolarHBondContact O-CG1 3.37Å; M419-I423 PolarHBondContact O-N 2.98Å; M419-I423 VanDerWaalsContact O-N 3.11Å
420	K	81	Confident	71.7	Confident	91 Å²	91	90 Å²	90	40%	0.396	45%	0.447	S	S	.	.	H	α-helix	trans	-58.2	-46.9	177.9	176.2	179.9	151.6	-149.9	0	112.3	R416 E417 T422 I423 E424	R416-K420 WeakPolarHBondContact O-CB 3.24Å; R416-K420 PolarHBondContact O-N 3.08Å; E417-K420 PolarHBondContact O-N 3.04Å; E417-K420 IonicContact OE1-NZ 3.64Å; E417-K420 IonicContact OE2-NZ 2.66Å; E417-K420 PolarHBondContact OE2-NZ 3.06Å; K420-T422 VanDerWaalsContact C-N 3.35Å; K420-T422 PolarHBondContact O-N 3.28Å; K420-I423 PolarHBondContact O-N 2.96Å; K420-E424 WeakPolarHBondContact CE-OE1 3.3Å; K420-E424 WeakPolarHBondContact CG-OE1 3.34Å; K420-E424 PolarHBondContact O-N 2.95Å
421	Q	73.5	Confident	69	Low	78 Å²	78	93.8 Å²	93.8	36%	0.364	46%	0.463	S	S	.	.	H	α-helix	trans	-54.4	-48.1	174.7	-76	176.9	-31.9	0	0	111.5	E417 M419 I423 E424 E425 E461	E417-Q421 WeakPolarHBondContact O-CG 3.47Å; E417-Q421 PolarHBondContact O-N 3.15Å; M419-Q421 PolarHBondContact O-N 3.28Å; Q421-I423 VanDerWaalsContact C-N 3.27Å; Q421-I423 PolarHBondContact O-N 3.11Å; Q421-E424 PolarHBondContact O-N 3.42Å; Q421-E424 VanDerWaalsContact O-N 3.13Å; Q421-E425 PolarHBondContact O-N 3.1Å; Q421-E461 PolarHBondContact NE2-OE2 3.46Å
422	T	72.3	Confident	66.3	Low	78 Å²	78	96.6 Å²	96.6	48%	0.479	48%	0.483	S	S	.	.	H	α-helix	trans	-64.3	-28.7	178.1	60	0	0	0	0	114.1	A418 M419 K420 D426	A418-T422 PolarHBondContact O-N 3.46Å; M419-T422 PolarHBondContact O-N 3.42Å; M419-T422 PolarHBondContact O-OG1 3.21Å; K420-T422 VanDerWaalsContact C-N 3.35Å; K420-T422 PolarHBondContact O-N 3.28Å; T422-D426 PolarHBondContact O-N 2.91Å
423	I	70	Confident	63.5	Low	93 Å²	93	98.3 Å²	98.3	48%	0.477	51%	0.508	S	S	.	.	H	α-helix	trans	-79.8	-25.6	176.8	-66.2	165.5	0	0	0	111.5	M419 K420 Q421 K427	M419-I423 WeakPolarHBondContact O-CG1 3.37Å; M419-I423 PolarHBondContact O-N 2.98Å; M419-I423 VanDerWaalsContact O-N 3.11Å; K420-I423 PolarHBondContact O-N 2.96Å; Q421-I423 VanDerWaalsContact C-N 3.27Å; Q421-I423 PolarHBondContact O-N 3.11Å; I423-K427 VanDerWaalsContact O-CD 3.29Å; I423-K427 WeakPolarHBondContact O-CD 3.49Å; I423-K427 WeakPolarHBondContact O-CG 3.48Å
424	E	59.5	Low	60.8	Low	107 Å²	107	108 Å²	108	50%	0.5	55%	0.55	S	S	.	*	H	α-helix	trans	-81.6	-35.1	174.1	-71.8	174	-173.4	0	0	111.5	K420 Q421 K427	K420-E424 WeakPolarHBondContact CE-OE1 3.3Å; K420-E424 WeakPolarHBondContact CG-OE1 3.34Å; K420-E424 PolarHBondContact O-N 2.95Å; Q421-E424 PolarHBondContact O-N 3.42Å; Q421-E424 VanDerWaalsContact O-N 3.13Å; E424-K427 WeakPolarHBondContact O-CB 3.18Å; E424-K427 PolarHBondContact O-N 3.14Å; E424-K427 VanDerWaalsContact O-N 3.15Å
425	E	53.8	Low	58.2	Low	156 Å²	156	112 Å²	112	73%	0.729	57%	0.573	S	S	*	*	H	α-helix	trans	-60.3	-46.4	170.3	-74.3	-168.6	155	0	0	112.7	Q421 K427 E428	Q421-E425 PolarHBondContact O-N 3.1Å; E425-K427 PolarHBondContact O-N 3.45Å; E425-K427 VanDerWaalsContact O-N 3.11Å; E425-E428 PolarHBondContact O-N 3.14Å
426	D	52.6	Low	55.5	Low	137 Å²	137	119.2 Å²	119.2	73%	0.733	60%	0.596	S	S	*	*	T	Hydrogen-bonded Turn	trans	-71	1.1	177	-88.7	-15.8	0	0	0	113.1	T422	T422-D426 PolarHBondContact O-N 2.91Å
427	K	49.1	Very low	52.8	Low	144 Å²	144	121.9 Å²	121.9	63%	0.626	62%	0.622	S	S	*	*	T	Hydrogen-bonded Turn	trans	-105.8	-2.3	177.8	-80.8	174.4	-173.2	171.6	0	115.4	I423 E424 E425 P429	I423-K427 VanDerWaalsContact O-CD 3.29Å; I423-K427 WeakPolarHBondContact O-CD 3.49Å; I423-K427 WeakPolarHBondContact O-CG 3.48Å; E424-K427 WeakPolarHBondContact O-CB 3.18Å; E424-K427 PolarHBondContact O-N 3.14Å; E424-K427 VanDerWaalsContact O-N 3.15Å; E425-K427 PolarHBondContact O-N 3.45Å; E425-K427 VanDerWaalsContact O-N 3.11Å; K427-P429 VanDerWaalsContact O-CD 3.28Å; K427-P429 WeakPolarHBondContact O-CD 3.41Å; K427-P429 VanDerWaalsContact O-N 3.14Å
428	E	34.5	Very low	50.2	Low	136 Å²	136	124.4 Å²	124.4	64%	0.636	65%	0.652	S	S	*	*			trans	-60.6	116.4	174.9	-113.9	-71.5	113.5	0	0	110	E425 K431	E425-E428 PolarHBondContact O-N 3.14Å; E428-K431 VanDerWaalsContact CD-NZ 3.26Å; E428-K431 IonicContact OE1-NZ 2.87Å; E428-K431 PolarHBondContact OE1-NZ 3.03Å; E428-K431 IonicContact OE2-NZ 3.89Å; E428-K431 PolarHBondContact OE2-NZ 2.96Å
429	P	42.6	Very low	48.2	Very low	84 Å²	84	132.3 Å²	132.3	55%	0.545	68%	0.679	S	S	.	*			trans	-77	143.1	-170.9	30.1	-34.8	0	0	0	111.6	K427 K431	K427-P429 VanDerWaalsContact O-CD 3.28Å; K427-P429 WeakPolarHBondContact O-CD 3.41Å; K427-P429 VanDerWaalsContact O-N 3.14Å; P429-K431 PolarHBondContact O-N 3Å
430	E	38.3	Very low	45.9	Very low	199 Å²	199	136.7 Å²	136.7	93%	0.93	70%	0.695	S	S	*	*			trans	-59.4	96.4	174.1	-71.5	-161.5	135.2	0	0	111.4	S432	E430-S432 PolarHBondContact O-N 2.93Å
431	K	37.2	Very low	43.5	Very low	156 Å²	156	139.3 Å²	139.3	68%	0.678	71%	0.714	S	S	*	*			trans	-66.7	104.1	177.8	-75.8	163.6	-173.1	134.9	0	109.8	E428 P429 G433	E428-K431 VanDerWaalsContact CD-NZ 3.26Å; E428-K431 IonicContact OE1-NZ 2.87Å; E428-K431 PolarHBondContact OE1-NZ 3.03Å; E428-K431 IonicContact OE2-NZ 3.89Å; E428-K431 PolarHBondContact OE2-NZ 2.96Å; P429-K431 PolarHBondContact O-N 3Å; K431-G433 PolarHBondContact O-N 3.27Å
432	S	32.8	Very low	41.8	Very low	124 Å²	124	146 Å²	146	87%	0.867	74%	0.742	S	S	*	*			trans	-69.8	97.9	-169.5	51.9	0	0	0	0	113.7	E430	E430-S432 PolarHBondContact O-N 2.93Å
433	G	33.3	Very low	40	Very low	62 Å²	62	151.9 Å²	151.9	64%	0.639	76%	0.76	S	S	*	*			trans	74.8	99.1	146.1	0	0	0	0	0	118.4	K431	K431-G433 PolarHBondContact O-N 3.27Å
434	K	34.5	Very low	38.2	Very low	208 Å²	208	157.2 Å²	157.2	90%	0.904	78%	0.78	S	S	*	*				-166.2	112.8	107.4	-101	157	-169.5	174.2	0	113.3
435	L	34.3	Very low	37.3	Very low	141 Å²	141	163.5 Å²	163.5	74%	0.738	80%	0.799	S	S	*	*			trans	11.5	122.5	146.6	-155.9	76.8	0	0	0	118.6
436	W	31	Very low	36.2	Very low	255 Å²	255	165.3 Å²	165.3	97%	0.966	81%	0.805	S	S	*	*				-158.3	156.5	115.5	-105.1	33.9	0	0	0	109.4
437	C	30	Very low	35.5	Very low	117 Å²	117	168.3 Å²	168.3	79%	0.791	81%	0.811	S	S	*	*			trans	-111.8	128.6	-156.6	-64.1	0	0	0	0	114.9
438	A	29.4	Very low	34.7	Very low	104 Å²	104	168 Å²	168	86%	0.86	82%	0.821	S	S	*	*			trans	-148.5	125.3	153.2	0	0	0	0	0	110.9
439	K	41.5	Very low	34.6	Very low	205 Å²	205	168.8 Å²	168.8	89%	0.891	83%	0.829	S	S	*	*			trans	-85.6	138.8	178.3	-66.3	174.5	179.1	174.5	0	111.1
440	K	32.2	Very low	34.4	Very low	196 Å²	196	173.3 Å²	173.3	85%	0.852	84%	0.836	S	S	*	*			trans	-162.2	118.1	139.8	-109.1	155.1	-172.2	177.6	0	114
441	N	30.2	Very low	34.2	Very low	146 Å²	146	170.2 Å²	170.2	78%	0.781	83%	0.826	S	S	*	*			trans	48.6	100.1	149.1	-57.1	0.2	0	0	0	120	K443	N441-K443 PolarHBondContact O-N 3.06Å; N441-K443 VanDerWaalsContact O-N 3.09Å
442	K	38.3	Very low	34.3	Very low	219 Å²	219	166.2 Å²	166.2	95%	0.952	82%	0.822	S	S	*	*			trans	-59.8	105.6	154	-72.4	-177.3	173.8	-177.5	0	110.1
443	K	34.2	Very low	34.4	Very low	201 Å²	201	167.5 Å²	167.5	87%	0.874	82%	0.819	S	S	*	*	P	Polyproline II helix	trans	-72.8	145.6	155.7	-85.5	-178.3	173.1	177.8	0	108.5	N441	N441-K443 PolarHBondContact O-N 3.06Å; N441-K443 VanDerWaalsContact O-N 3.09Å
444	K	33.1	Very low	34.4	Very low	204 Å²	204	173.4 Å²	173.4	89%	0.887	83%	0.827	S	S	*	*	P	Polyproline II helix	trans	-66.3	136.8	-178.1	-71	-178.9	174.7	-179.3	0	110.5	K446	K444-K446 PolarHBondContact O-N 2.85Å
445	R	39.3	Very low	34.9	Very low	240 Å²	240	171.4 Å²	171.4	91%	0.906	83%	0.827	S	S	*	*	P	Polyproline II helix	trans	-53.4	126.8	169.7	-63.9	172.7	91.9	170.8	7.2	108.3
446	K	31.3	Very low	34.9	Very low	193 Å²	193	171.9 Å²	171.9	84%	0.839	83%	0.83	S	S	*	*			trans	-111.7	117.2	169.1	-161.3	-177.7	-174.2	-170.3	0	106.1	K444 V448	K444-K446 PolarHBondContact O-N 2.85Å; K446-V448 PolarHBondContact O-N 3.15Å; K446-V448 VanDerWaalsContact O-N 3.12Å
447	K	38.3	Very low	35.4	Very low	201 Å²	201	167 Å²	167	87%	0.874	82%	0.823	S	S	*	*			trans	-60.7	116.7	171	-76.7	-171.7	172.5	-171.6	0	107.2	L449	K447-L449 PolarHBondContact O-N 2.69Å
448	V	33.1	Very low	35.6	Very low	136 Å²	136	171.5 Å²	171.5	82%	0.824	83%	0.825	S	S	*	*			trans	-79.9	102.3	170.3	-179.9	0	0	0	0	106.1	K446 Y450	K446-V448 PolarHBondContact O-N 3.15Å; K446-V448 VanDerWaalsContact O-N 3.12Å; V448-Y450 PolarHBondContact O-N 3.06Å
449	L	32.1	Very low	36.2	Very low	154 Å²	154	174.2 Å²	174.2	81%	0.806	82%	0.824	S	S	*	*			trans	-72.3	122.2	164.1	-137.9	75.7	0	0	0	106.4	K447 N451	K447-L449 PolarHBondContact O-N 2.69Å; L449-N451 PolarHBondContact O-N 2.99Å
450	Y	38.3	Very low	36.3	Very low	179 Å²	179	171.1 Å²	171.1	70%	0.702	82%	0.818	S	S	*	*			trans	-62.4	124.6	176.3	-172.4	-95.2	0	0	0	109	V448 A452	V448-Y450 PolarHBondContact O-N 3.06Å; Y450-A452 HydrophobicContact CE1-CB 4.22Å
451	N	34.1	Very low	37.4	Very low	134 Å²	134	169.3 Å²	169.3	72%	0.717	81%	0.812	S	S	*	*			trans	-134.5	99.1	-171.3	-162.5	35.7	0	0	0	108.1	L449 N453	L449-N451 PolarHBondContact O-N 2.99Å; N451-N453 PolarHBondContact O-N 3.28Å
452	A	37.9	Very low	39.2	Very low	72 Å²	72	169.2 Å²	169.2	60%	0.595	81%	0.807	S	S	*	*	S	Bend	trans	-63.6	-9.4	-157.8	0	0	0	0	0	116.6	Y450 K454	Y450-A452 HydrophobicContact CE1-CB 4.22Å; A452-K454 PolarHBondContact O-N 2.97Å
453	N	35.7	Very low	41.1	Very low	150 Å²	150	160.7 Å²	160.7	80%	0.802	77%	0.772	S	S	*	*	S	Bend	trans	-100.3	33.2	-169.7	-73.1	16.7	0	0	0	114.5	N451	N451-N453 PolarHBondContact O-N 3.28Å
454	K	34.4	Very low	43.6	Very low	186 Å²	186	153.4 Å²	153.4	81%	0.809	74%	0.742	S	S	*	*			trans	-143.4	90.8	170	-72.3	-157.4	172.5	-154.9	0	113.4	A452	A452-K454 PolarHBondContact O-N 2.97Å
455	N	43.2	Very low	46.4	Very low	167 Å²	167	144 Å²	144	89%	0.893	70%	0.701	S	S	*	*			trans	-78.1	115.5	150	-84.3	-4	0	0	0	108.2
456	D	35.1	Very low	49	Very low	151 Å²	151	132.9 Å²	132.9	81%	0.807	66%	0.66	S	S	*	*			trans	-163.6	150.6	155.3	-112.9	-19.9	0	0	0	109.5	Y458	D456-Y458 PolarHBondContact O-N 3.42Å
457	D	41.6	Very low	51.9	Low	153 Å²	153	125.9 Å²	125.9	82%	0.818	63%	0.63	S	S	*	*	S	Bend	trans	-35.8	114.4	-166.1	-71.5	-35.9	0	0	0	118.2
458	Y	34.8	Very low	54.6	Low	211 Å²	211	119.3 Å²	119.3	83%	0.827	60%	0.602	S	S	*	*	S	Bend		-178.9	157	125.6	-104.7	-72.5	0	0	0	107.6	D456 N460	D456-Y458 PolarHBondContact O-N 3.42Å; Y458-N460 VanDerWaalsContact C-N 3.31Å; Y458-N460 PolarHBondContact O-N 2.93Å; Y458-N460 PolarHBondContact O-ND2 3.11Å; Y458-N460 VanDerWaalsContact O-ND2 3.16Å
459	D	41.3	Very low	57.6	Low	160 Å²	160	113.2 Å²	113.2	86%	0.856	57%	0.565	S	S	*	*			trans	-55.6	82.2	-174.4	-74.1	-46	0	0	0	114.2
460	N	42.8	Very low	60.5	Low	141 Å²	141	107.5 Å²	107.5	75%	0.754	54%	0.538	S	S	*	.			trans	-80.3	120.3	154	-65.7	-82.8	0	0	0	105.9	Y458 E462	Y458-N460 VanDerWaalsContact C-N 3.31Å; Y458-N460 PolarHBondContact O-N 2.93Å; Y458-N460 PolarHBondContact O-ND2 3.11Å; Y458-N460 VanDerWaalsContact O-ND2 3.16Å; N460-E462 PolarHBondContact O-N 3.38Å
461	E	56	Low	63.1	Low	158 Å²	158	103.1 Å²	103.1	74%	0.738	53%	0.526	S	S	*	.			trans	-56.4	115.2	170.4	-65.9	-175.3	136.6	0	0	108.5	Q421 I463	Q421-E461 PolarHBondContact NE2-OE2 3.46Å; E461-I463 PolarHBondContact O-N 3.41Å
462	E	67.6	Low	66	Low	143 Å²	143	98.3 Å²	98.3	67%	0.668	50%	0.498	S	S	*	.			trans	-65.5	110.6	-179.5	-176.3	175.6	172.5	0	0	108.3	N460 L464	N460-E462 PolarHBondContact O-N 3.38Å; E462-L464 PolarHBondContact O-N 3.06Å
463	I	79.6	Confident	68.7	Low	41 Å²	41	100.9 Å²	100.9	21%	0.21	50%	0.498	C	S	.	.			trans	-63.3	101.1	-173.5	-54.9	179.5	0	0	0	109.1	Q414 E417 A418 E461 T465	Q414-I463 HydrophobicContact CG-CB 4.4Å; Q414-I463 HydrophobicContact CG-CG2 4.36Å; E417-I463 HydrophobicContact CB-CG2 3.75Å; E417-I463 HydrophobicContact CG-CG2 4.13Å; A418-I463 HydrophobicContact CB-CD1 4.44Å; E461-I463 PolarHBondContact O-N 3.41Å; I463-T465 HydrophobicContact CG2-CG2 4.23Å; I463-T465 WeakPolarHBondContact O-CG2 3.25Å; I463-T465 PolarHBondContact O-N 3.16Å; I463-T465 PolarHBondContact O-OG1 2.69Å
464	L	85.8	Confident	71.5	Confident	47 Å²	47	94.7 Å²	94.7	25%	0.246	46%	0.464	C	S	.	.			trans	-63.3	106.7	-174.2	-69.7	-175	0	0	0	109.9	H353 E462	H353-L464 HydrophobicContact CB-CB 3.89Å; H353-L464 HydrophobicContact CB-CD2 4.25Å; H353-L464 HydrophobicContact CB-CG 4.49Å; E462-L464 PolarHBondContact O-N 3.06Å
465	T	91.3	Very high	74.2	Confident	6 Å²	6	88 Å²	88	4%	0.037	44%	0.44	C	S	.	.			trans	-125.4	-94.4	-177	45.9	0	0	0	0	109.3	H353 F354 K410 Q413 Q414 I463	H353-T465 PolarHBondContact N-O 2.84Å; F354-T465 WeakPolarHBondContact CD1-O 3.42Å; F354-T465 WeakPolarHBondContact CE1-O 3.39Å; K410-T465 WeakPolarHBondContact CE-OG1 3.43Å; Q413-T465 HydrophobicContact CB-CG2 3.94Å; Q413-T465 HydrophobicContact CG-CG2 3.65Å; Q414-T465 HydrophobicContact CG-CG2 3.82Å; I463-T465 HydrophobicContact CG2-CG2 4.23Å; I463-T465 WeakPolarHBondContact O-CG2 3.25Å; I463-T465 PolarHBondContact O-N 3.16Å; I463-T465 PolarHBondContact O-OG1 2.69Å
466	Y	94.1	Very high	76.4	Confident	8 Å²	8	84.2 Å²	84.2	3%	0.031	43%	0.431	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.3	131.9	179	-52.8	-76.6	0	0	0	110.8	V350 K351 A352 F354 F373 L379 W390 I407 P408 K410	V350-Y466 HydrophobicContact CG2-CD1 3.85Å; V350-Y466 HydrophobicContact CG2-CG 4.2Å; K351-Y466 WeakPolarHBondContact O-CA 3.39Å; A352-Y466 HydrophobicContact CB-CD1 4.39Å; A352-Y466 HydrophobicContact CB-CE1 4.4Å; F354-Y466 HydrophobicContact CE1-CD1 4.25Å; F354-Y466 AromaticContact CE1-CE1 3.74Å; F354-Y466 HydrophobicContact CE1-CE1 3.74Å; F354-Y466 HydrophobicContact CE1-CE2 4.12Å; F354-Y466 AromaticContact CE1-CZ 3.7Å; F354-Y466 HydrophobicContact CZ-CE1 4.1Å; F354-Y466 HydrophobicContact CZ-CE2 4.31Å; F354-Y466 AromaticContact CZ-CZ 3.74Å; F373-Y466 HydrophobicContact CE2-CE1 4.27Å; F373-Y466 AromaticContact CZ-CE1 3.9Å; F373-Y466 HydrophobicContact CZ-CE1 3.9Å; F373-Y466 WeakPolarHBondContact CZ-OH 3.16Å; L379-Y466 HydrophobicContact CD1-CD1 4.42Å; L379-Y466 HydrophobicContact CD1-CE1 3.84Å; W390-Y466 HydrophobicContact CZ3-CD2 4Å; W390-Y466 HydrophobicContact CZ3-CE2 4.21Å; I407-Y466 HydrophobicContact CD1-CE1 4.4Å; P408-Y466 WeakPolarHBondContact O-CE2 3.4Å; P408-Y466 PolarHBondContact O-OH 2.99Å; K410-Y466 HydrophobicContact CB-CD2 4.05Å; K410-Y466 HydrophobicContact CG-CD2 4.44Å; K410-Y466 PolarHBondContact NZ-O 3Å
467	E	93.8	Very high	79.1	Confident	45 Å²	45	82.9 Å²	82.9	21%	0.21	42%	0.424	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.8	134.2	167.9	-178.7	169.6	-146.7	0	0	109	V350 K351 H353 M469 R586 P670	V350-E467 CarbonylContact C-O 3.55Å; V350-E467 VanDerWaalsContact CA-O 3.25Å; V350-E467 WeakPolarHBondContact CA-O 3.25Å; K351-E467 PolarHBondContact N-O 3.38Å; K351-E467 PolarHBondContact O-N 3.29Å; K351-E467 VanDerWaalsContact O-N 3.11Å; H353-E467 IonicContact CE1-OE2 3.34Å; H353-E467 WeakPolarHBondContact NE2-CB 3.38Å; H353-E467 IonicContact NE2-OE2 3.48Å; H353-E467 PolarHBondContact NE2-OE2 2.79Å; E467-M469 HydrophobicContact CB-SD 4.49Å; E467-M469 HydrophobicContact CG-SD 4.08Å; E467-R586 IonicContact OE1-CZ 3.14Å; E467-R586 IonicContact OE1-NH2 2.73Å; E467-R586 PolarHBondContact OE1-NH2 3.36Å; E467-R586 IonicContact OE2-NH2 3.22Å; E467-R586 PolarHBondContact OE2-NH2 2.84Å; E467-P670 HydrophobicContact CG-CB 4.46Å; E467-P670 WeakPolarHBondContact OE1-CG 3.24Å
468	E	94.7	Very high	81.6	Confident	64 Å²	64	79.5 Å²	79.5	30%	0.299	40%	0.4	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.2	132.7	-179.7	-157.1	-152.7	126.2	0	0	110.2	I348 P670 S671 R675	I348-E468 HydrophobicContact CG2-CG 3.65Å; E468-P670 CarbonylContact O-C 3.41Å; E468-P670 WeakPolarHBondContact O-CA 3.38Å; E468-S671 PolarHBondContact O-N 2.89Å; E468-S671 WeakPolarHBondContact OE1-CB 3.43Å; E468-S671 PolarHBondContact OE1-OG 2.95Å; E468-R675 VanDerWaalsContact CD-NH2 3.35Å; E468-R675 IonicContact OE1-CZ 2.69Å; E468-R675 IonicContact OE1-NH1 2.81Å; E468-R675 PolarHBondContact OE1-NH1 2.8Å; E468-R675 IonicContact OE1-NH2 3.17Å; E468-R675 PolarHBondContact OE1-NH2 2.73Å; E468-R675 IonicContact OE2-CZ 2.69Å; E468-R675 IonicContact OE2-NH1 3.97Å; E468-R675 PolarHBondContact OE2-NH1 3.34Å; E468-R675 IonicContact OE2-NH2 3.98Å; E468-R675 PolarHBondContact OE2-NH2 3.14Å
469	M	94.8	Very high	84.5	Confident	8 Å²	8	70.8 Å²	70.8	4%	0.039	37%	0.366	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.9	154	-171.5	-54.9	-60.5	-69.4	0	0	112	H349 K351 I378 E467 W668 V669 S671	H349-M469 PolarHBondContact O-N 2.87Å; K351-M469 HydrophobicContact CB-CG 3.64Å; K351-M469 HydrophobicContact CB-SD 3.86Å; K351-M469 HydrophobicContact CD-CE 4.34Å; K351-M469 HydrophobicContact CD-SD 4.39Å; I378-M469 HydrophobicContact CD1-CG 4.12Å; E467-M469 HydrophobicContact CB-SD 4.49Å; E467-M469 HydrophobicContact CG-SD 4.08Å; M469-W668 HydrophobicContact CB-CE3 3.9Å; M469-W668 VanDerWaalsContact CE-C 3.44Å; M469-W668 HydrophobicContact CE-CB 3.8Å; M469-W668 WeakPolarHBondContact CE-O 3.47Å; M469-V669 CarbonylContact C-O 3.57Å; M469-V669 VanDerWaalsContact CA-O 3.29Å; M469-V669 WeakPolarHBondContact CA-O 3.4Å; M469-V669 VanDerWaalsContact CE-C 3.44Å; M469-S671 PolarHBondContact N-OG 2.93Å; M469-S671 PolarHBondContact O-OG 2.84Å; M469-S671 VanDerWaalsContact O-OG 3.11Å
470	S	94.1	Very high	87.2	Confident	34 Å²	34	63.4 Å²	63.4	24%	0.238	33%	0.327	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.4	151.1	172.2	-68	0	0	0	0	109.7	V669 S671	S470-V669 PolarHBondContact N-O 3.14Å; S470-V669 PolarHBondContact O-N 2.91Å; S470-S671 PolarHBondContact OG-OG 3.08Å
471	L	93	Very high	89.8	Confident	87 Å²	87	56.7 Å²	56.7	46%	0.455	29%	0.291	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.9	131.6	171.9	-72.5	178	0	0	0	110.6	P666 W668	L471-P666 HydrophobicContact CB-CB 4.19Å; L471-P666 HydrophobicContact CD1-CG 4.43Å; L471-P666 HydrophobicContact CD2-CB 4.23Å; L471-P666 HydrophobicContact CD2-CG 4.36Å; L471-W668 HydrophobicContact CD1-CH2 4.28Å; L471-W668 HydrophobicContact CD2-CD2 3.59Å; L471-W668 HydrophobicContact CD2-CE3 3.79Å; L471-W668 HydrophobicContact CD2-CG 4.13Å; L471-W668 HydrophobicContact CD2-CH2 4.02Å; L471-W668 HydrophobicContact CD2-CZ2 3.88Å; L471-W668 HydrophobicContact CD2-CZ3 4.01Å; L471-W668 HydrophobicContact CG-CD2 4.25Å; L471-W668 HydrophobicContact CG-CE3 3.96Å; L471-W668 HydrophobicContact CG-CH2 3.75Å; L471-W668 HydrophobicContact CG-CZ2 4.09Å; L471-W668 HydrophobicContact CG-CZ3 3.71Å
472	Y	94.6	Very high	91.8	Very high	32 Å²	32	49.2 Å²	49.2	13%	0.125	26%	0.256	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.8	117.4	174.5	175.3	-102.5	0	0	0	110.7	P475 R480 K591 P666 Q667 V669 L674	Y472-P475 VanDerWaalsContact OH-CD 3.27Å; Y472-P475 WeakPolarHBondContact OH-CD 3.5Å; Y472-R480 HydrophobicContact CE1-CG 4.07Å; Y472-K591 HydrophobicContact CD2-CD 4.47Å; Y472-K591 HydrophobicContact CE1-CD 4.17Å; Y472-K591 HydrophobicContact CE2-CD 3.85Å; Y472-P666 WeakPolarHBondContact O-CA 3.23Å; Y472-Q667 PolarHBondContact N-O 2.6Å; Y472-Q667 PolarHBondContact O-N 3.06Å; Y472-V669 VanDerWaalsContact CB-CG2 3.48Å; Y472-V669 HydrophobicContact CD1-CG1 4.47Å; Y472-V669 HydrophobicContact CG-CG2 4.31Å; Y472-L674 HydrophobicContact CD2-CD2 3.56Å; Y472-L674 HydrophobicContact CE2-CD2 4.18Å; Y472-L674 HydrophobicContact CG-CD2 4.3Å
473	H	94.8	Very high	93.2	Very high	127 Å²	127	42.4 Å²	42.4	59%	0.588	22%	0.224	S	C	*	.	P	Polyproline II helix	trans	-78.7	135.4	166.8	-65.6	-97.5	0	0	0	109.6	P475	H473-P475 VanDerWaalsContact O-CD 3.31Å; H473-P475 WeakPolarHBondContact O-CD 3.45Å
474	Q	93.4	Very high	94	Very high	20 Å²	20	40.6 Å²	40.6	9%	0.093	22%	0.215	C	C	.	.	P	Polyproline II helix	trans	-74.2	119.2	174.8	-177.6	162	-95.7	0	0	110.4	A476 K479 R480 L662 D663	Q474-A476 PolarHBondContact O-N 2.82Å; Q474-K479 HydrophobicContact CG-CD 4.29Å; Q474-R480 VanDerWaalsContact OE1-CB 3.3Å; Q474-L662 WeakPolarHBondContact CB-O 3.37Å; Q474-D663 PolarHBondContact NE2-OD1 3Å
475	P	92.2	Very high	94.4	Very high	46 Å²	46	38.4 Å²	38.4	30%	0.299	20%	0.203	S	C	.	.	P	Polyproline II helix	trans	-65.7	138.1	176.1	-19.5	32.6	0	0	0	110.7	Y472 H473 N477 R478	Y472-P475 VanDerWaalsContact OH-CD 3.27Å; Y472-P475 WeakPolarHBondContact OH-CD 3.5Å; H473-P475 VanDerWaalsContact O-CD 3.31Å; H473-P475 WeakPolarHBondContact O-CD 3.45Å; P475-N477 PolarHBondContact O-N 3.11Å; P475-R478 HydrophobicContact CB-CB 4Å; P475-R478 HydrophobicContact CG-CB 4.15Å; P475-R478 CarbonylContact O-C 3.59Å; P475-R478 PolarHBondContact O-N 3.05Å
476	A	89.9	Confident	94.5	Very high	86 Å²	86	38.6 Å²	38.6	71%	0.711	21%	0.206	S	C	*	.	T	Hydrogen-bonded Turn	trans	-55.8	-27.9	-176.8	0	0	0	0	0	113.8	Q474 K479	Q474-A476 PolarHBondContact O-N 2.82Å; A476-K479 VanDerWaalsContact O-CE 3.27Å; A476-K479 WeakPolarHBondContact O-CE 3.25Å
477	N	91.3	Very high	94.2	Very high	124 Å²	124	38.5 Å²	38.5	66%	0.663	21%	0.206	S	C	*	.	T	Hydrogen-bonded Turn	trans	-99.8	-1.7	177.3	66.9	-18.1	0	0	0	114.8	P475	P475-N477 PolarHBondContact O-N 3.11Å
478	R	93.1	Very high	93.6	Very high	81 Å²	81	44 Å²	44	31%	0.306	23%	0.232	S	C	.	.	S	Bend	trans	-136	68.8	-175.9	-163.2	-174	170.9	155.6	0.4	111.1	P475 I567 D589	P475-R478 HydrophobicContact CB-CB 4Å; P475-R478 HydrophobicContact CG-CB 4.15Å; P475-R478 CarbonylContact O-C 3.59Å; P475-R478 PolarHBondContact O-N 3.05Å; R478-I567 HydrophobicContact CB-CG2 4.45Å; R478-I567 HydrophobicContact CG-CG2 3.37Å; R478-D589 IonicContact CZ-OD2 2.76Å; R478-D589 PolarHBondContact NH2-O 2.82Å; R478-D589 IonicContact NH2-OD2 2.74Å; R478-D589 PolarHBondContact NH2-OD2 2.83Å
479	K	96.3	Very high	92.6	Very high	29 Å²	29	46 Å²	46	13%	0.126	25%	0.245	C	C	.	.	P	Polyproline II helix	trans	-63.1	140.5	179.5	-53.8	-66.1	176.9	175	0	111.7	Q474 A476 G570 I572 D663	Q474-K479 HydrophobicContact CG-CD 4.29Å; A476-K479 VanDerWaalsContact O-CE 3.27Å; A476-K479 WeakPolarHBondContact O-CE 3.25Å; K479-G570 VanDerWaalsContact CG-O 3.31Å; K479-G570 WeakPolarHBondContact CG-O 3.5Å; K479-I572 HydrophobicContact CB-CB 4.49Å; K479-I572 HydrophobicContact CB-CG1 3.85Å; K479-I572 HydrophobicContact CD-CG1 4.31Å; K479-I572 HydrophobicContact CG-CG1 3.87Å; K479-D663 IonicContact NZ-OD1 3.13Å; K479-D663 PolarHBondContact NZ-OD1 2.78Å; K479-D663 IonicContact NZ-OD2 2.77Å; K479-D663 PolarHBondContact NZ-OD2 2.62Å
480	R	97.4	Very high	92	Very high	5 Å²	5	45.9 Å²	45.9	2%	0.019	25%	0.245	C	C	.	.	P	Polyproline II helix	trans	-68.4	141.2	173.4	-65	173.5	70.6	-174.3	-3.8	109.7	Y472 Q474 I482 K591 P592 D640	Y472-R480 HydrophobicContact CE1-CG 4.07Å; Q474-R480 VanDerWaalsContact OE1-CB 3.3Å; R480-I482 PolarHBondContact O-N 2.45Å; R480-K591 WeakPolarHBondContact CB-O 3.37Å; R480-K591 VanDerWaalsContact CG-O 3.24Å; R480-K591 WeakPolarHBondContact CG-O 3.2Å; R480-K591 PolarHBondContact NE-O 2.92Å; R480-P592 PolarHBondContact NH2-O 2.92Å; R480-D640 IonicContact CZ-OD1 2.7Å; R480-D640 IonicContact NH1-OD1 3.98Å; R480-D640 IonicContact NH2-OD1 3.88Å; R480-D640 PolarHBondContact NH2-OD1 2.79Å
481	P	97.7	Very high	91.5	Very high	0 Å²	0	44.6 Å²	44.6	0%	0	24%	0.237	C	C	.	.	P	Polyproline II helix	trans	-62.3	132.9	166.4	-22.5	34.1	0	0	0	111	V483 V563 I567 C573 L575 L590 P592 Y593	P481-V483 HydrophobicContact CB-CG2 4.42Å; P481-V563 HydrophobicContact CB-CG1 4.1Å; P481-V563 HydrophobicContact CG-CG1 3.59Å; P481-I567 HydrophobicContact CG-CD1 3.62Å; P481-I567 HydrophobicContact CG-CG1 3.93Å; P481-C573 CarbonylContact C-O 3.5Å; P481-C573 VanDerWaalsContact CA-O 3.31Å; P481-C573 WeakPolarHBondContact CA-O 3.4Å; P481-C573 HydrophobicContact CB-CB 4.1Å; P481-C573 HydrophobicContact CG-CB 4.4Å; P481-L575 HydrophobicContact CB-CD1 4.41Å; P481-L590 WeakPolarHBondContact CD-O 3.4Å; P481-L590 HydrophobicContact CG-CB 4.42Å; P481-P592 CarbonylContact O-C 3.48Å; P481-P592 WeakPolarHBondContact O-CA 3.43Å; P481-Y593 PolarHBondContact O-N 2.97Å
482	I	98	Very high	91.4	Very high	1 Å²	1	41.5 Å²	41.5	1%	0.005	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.3	122.8	170.4	-46.6	-60.1	0	0	0	107.7	R480 L484 I572 C573 L574 L575 Y593 V595 I659 L662	R480-I482 PolarHBondContact O-N 2.45Å; I482-L484 HydrophobicContact CG2-CD2 4.2Å; I482-I572 HydrophobicContact CD1-CG2 4.28Å; I482-I572 HydrophobicContact CG1-CG2 3.49Å; I482-I572 VanDerWaalsContact CG1-CG2 3.49Å; I482-C573 PolarHBondContact N-O 2.94Å; I482-L574 HydrophobicContact CB-CD2 3.77Å; I482-L574 HydrophobicContact CG1-CD2 4.09Å; I482-L574 HydrophobicContact CG2-CD2 4.48Å; I482-L575 PolarHBondContact O-N 3.02Å; I482-Y593 HydrophobicContact CD1-CD1 4.1Å; I482-Y593 HydrophobicContact CD1-CG 4.5Å; I482-V595 HydrophobicContact CG2-CG2 4.27Å; I482-I659 HydrophobicContact CD1-CG1 3.95Å; I482-I659 HydrophobicContact CD1-CG2 4.49Å; I482-I659 HydrophobicContact CG1-CD1 4.13Å; I482-I659 HydrophobicContact CG1-CG1 3.93Å; I482-I659 HydrophobicContact CG2-CD1 4.18Å; I482-I659 HydrophobicContact CG2-CG1 4.23Å; I482-L662 HydrophobicContact CD1-CD1 3.55Å
483	V	97.4	Very high	91.1	Very high	0 Å²	0	44.3 Å²	44.3	0%	0	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.5	107.6	-173.9	-178.6	0	0	0	0	108.6	P481 I485 L575 L577 L582 L585 P592 Y593 I594 V595	P481-V483 HydrophobicContact CB-CG2 4.42Å; V483-I485 HydrophobicContact CG1-CG2 4.1Å; V483-L575 WeakPolarHBondContact CA-O 3.43Å; V483-L575 HydrophobicContact CG2-CB 4.3Å; V483-L575 HydrophobicContact CG2-CD1 4.21Å; V483-L577 HydrophobicContact CG1-CB 4.23Å; V483-L577 HydrophobicContact CG1-CD1 3.76Å; V483-L577 HydrophobicContact CG1-CG 4.11Å; V483-L582 HydrophobicContact CG1-CD2 4.5Å; V483-L585 HydrophobicContact CB-CD2 4.44Å; V483-L585 HydrophobicContact CG1-CD2 4.14Å; V483-L585 HydrophobicContact CG2-CD2 3.9Å; V483-P592 HydrophobicContact CG2-CB 3.92Å; V483-Y593 PolarHBondContact N-O 3.24Å; V483-I594 HydrophobicContact CB-CG1 4.26Å; V483-V595 PolarHBondContact O-N 3.28Å
484	L	96.6	Very high	91	Very high	3 Å²	3	42.2 Å²	42.2	2%	0.016	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.3	133.4	173.3	-51.2	-173.1	0	0	0	109.2	I482 L495 R496 L575 N576 L577 V595 I597 L655	I482-L484 HydrophobicContact CG2-CD2 4.2Å; L484-L495 HydrophobicContact CD1-CB 4.34Å; L484-R496 HydrophobicContact CD1-CB 4.26Å; L484-L575 PolarHBondContact N-O 3.34Å; L484-N576 WeakPolarHBondContact O-CA 3.47Å; L484-L577 PolarHBondContact O-N 3.48Å; L484-L577 VanDerWaalsContact O-N 3.12Å; L484-V595 HydrophobicContact CD2-CB 4.1Å; L484-I597 HydrophobicContact CD2-CD1 4.43Å; L484-L655 HydrophobicContact CD1-CD2 4.3Å; L484-L655 HydrophobicContact CD2-CD1 4Å; L484-L655 HydrophobicContact CD2-CD2 4.04Å
485	I	94.6	Very high	91	Very high	0 Å²	0	41.3 Å²	41.3	0%	0	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.7	161.9	176.3	57.3	170	0	0	0	109.7	V483 Q492 L577 T579 L582 I594 V595 F596 I597 F639	V483-I485 HydrophobicContact CG1-CG2 4.1Å; I485-Q492 VanDerWaalsContact CA-OE1 3.28Å; I485-L577 HydrophobicContact CG2-CB 4.49Å; I485-L577 WeakPolarHBondContact CG2-O 3.28Å; I485-T579 HydrophobicContact CD1-CG2 4.41Å; I485-L582 HydrophobicContact CD1-CD1 3.81Å; I485-L582 HydrophobicContact CG2-CD2 4.08Å; I485-I594 HydrophobicContact CD1-CG2 3.46Å; I485-I594 VanDerWaalsContact CD1-CG2 3.46Å; I485-I594 HydrophobicContact CG1-CG2 4.05Å; I485-V595 PolarHBondContact N-O 3.13Å; I485-V595 VanDerWaalsContact N-O 3.11Å; I485-F596 HydrophobicContact CD1-CB 4.39Å; I485-F596 HydrophobicContact CD1-CD2 4.18Å; I485-F596 HydrophobicContact CG1-CB 4.22Å; I485-F596 HydrophobicContact CG1-CD2 4.07Å; I485-I597 PolarHBondContact O-N 2.94Å; I485-F639 HydrophobicContact CD1-CD1 3.38Å; I485-F639 HydrophobicContact CD1-CD2 4.5Å; I485-F639 HydrophobicContact CD1-CE1 3.2Å; I485-F639 HydrophobicContact CD1-CE2 4.35Å; I485-F639 HydrophobicContact CD1-CG 4.08Å; I485-F639 HydrophobicContact CD1-CZ 3.74Å
486	G	91.9	Very high	91.1	Very high	10 Å²	10	41.8 Å²	41.8	10%	0.103	22%	0.219	C	C	.	.			trans	145	-175.6	177.3	0	0	0	0	0	111.7	Q492	G486-Q492 PolarHBondContact O-NE2 2.94Å
487	P	87.6	Confident	91.3	Very high	6 Å²	6	41.9 Å²	41.9	4%	0.039	21%	0.205	C	C	.	.	S	Bend	trans	-68.5	159.2	179.8	-9	22	0	0	0	112.5	C490 Q492 P599 I624 T628 M631	P487-C490 WeakPolarHBondContact O-CB 3.46Å; P487-C490 PolarHBondContact O-N 3.09Å; P487-C490 PolarHBondContact O-SG 2.79Å; P487-Q492 PolarHBondContact O-NE2 2.97Å; P487-P599 HydrophobicContact CG-CG 4.47Å; P487-I624 HydrophobicContact CB-CG2 4.15Å; P487-T628 HydrophobicContact CG-CG2 4.49Å; P487-T628 WeakPolarHBondContact CG-OG1 3.34Å; P487-M631 HydrophobicContact CG-SD 4.41Å
488	Q	81.6	Confident	91.5	Very high	161 Å²	161	39.7 Å²	39.7	75%	0.752	19%	0.188	S	C	*	.	T	Hydrogen-bonded Turn	trans	-59.2	149.2	172.8	-64	-178.9	-2.4	0	0	110.9	C490	Q488-C490 PolarHBondContact O-N 2.98Å
489	N	75	Confident	91.6	Very high	105 Å²	105	35.8 Å²	35.8	56%	0.561	17%	0.173	S	C	*	.	T	Hydrogen-bonded Turn	trans	62.8	11.2	-178.9	-50.8	-55.6	0	0	0	116.4	G491	N489-G491 VanDerWaalsContact C-N 3.26Å; N489-G491 PolarHBondContact O-N 3.03Å
490	C	80.8	Confident	91.5	Very high	7 Å²	7	36.3 Å²	36.3	5%	0.047	18%	0.176	C	C	.	.	S	Bend	trans	-84.7	17.7	176.9	-61.6	0	0	0	0	114.5	P487 Q488 I597 N645	P487-C490 WeakPolarHBondContact O-CB 3.46Å; P487-C490 PolarHBondContact O-N 3.09Å; P487-C490 PolarHBondContact O-SG 2.79Å; Q488-C490 PolarHBondContact O-N 2.98Å; C490-I597 VanDerWaalsContact O-CG2 3.22Å; C490-I597 WeakPolarHBondContact O-CG2 3.32Å; C490-N645 PolarHBondContact O-ND2 3Å
491	G	84	Confident	91.4	Very high	6 Å²	6	41.4 Å²	41.4	6%	0.062	20%	0.204	C	C	.	.	S	Bend	trans	86.1	5.5	176.3	0	0	0	0	0	116.6	N489 N493 E494 L495	N489-G491 VanDerWaalsContact C-N 3.26Å; N489-G491 PolarHBondContact O-N 3.03Å; G491-N493 VanDerWaalsContact C-N 3.33Å; G491-N493 PolarHBondContact O-N 2.87Å; G491-E494 WeakPolarHBondContact CA-OE2 3.47Å; G491-E494 PolarHBondContact O-N 3.18Å; G491-L495 WeakPolarHBondContact O-CB 3.47Å; G491-L495 VanDerWaalsContact O-CG 3.26Å; G491-L495 WeakPolarHBondContact O-CG 3.08Å; G491-L495 PolarHBondContact O-N 3.18Å
492	Q	90.1	Very high	91.1	Very high	22 Å²	22	45.9 Å²	45.9	10%	0.103	23%	0.228	C	C	.	.	H	α-helix	trans	-62.2	-35.2	-177	-66.5	174.6	65.8	0	0	113.8	I485 G486 P487 R496 N576 I597	I485-Q492 VanDerWaalsContact CA-OE1 3.28Å; G486-Q492 PolarHBondContact O-NE2 2.94Å; P487-Q492 PolarHBondContact O-NE2 2.97Å; Q492-R496 WeakPolarHBondContact O-CB 3.2Å; Q492-R496 PolarHBondContact O-N 2.68Å; Q492-N576 PolarHBondContact O-ND2 3.27Å; Q492-I597 HydrophobicContact CG-CB 3.8Å; Q492-I597 HydrophobicContact CG-CG1 3.95Å; Q492-I597 HydrophobicContact CG-CG2 4.23Å
493	N	90.2	Very high	90.8	Very high	91 Å²	91	48.1 Å²	48.1	49%	0.487	24%	0.238	S	C	.	.	H	α-helix	trans	-76.8	-39.2	179.5	-75.6	-38.1	0	0	0	110.5	G491 R496 Q497 N576	G491-N493 VanDerWaalsContact C-N 3.33Å; G491-N493 PolarHBondContact O-N 2.87Å; N493-R496 PolarHBondContact O-N 2.89Å; N493-Q497 WeakPolarHBondContact O-CB 3.33Å; N493-Q497 WeakPolarHBondContact O-CG 3.39Å; N493-Q497 PolarHBondContact O-N 2.72Å; N493-N576 PolarHBondContact OD1-ND2 3.09Å
494	E	91.4	Very high	90.4	Very high	84 Å²	84	52.3 Å²	52.3	39%	0.393	26%	0.264	S	S	.	.	H	α-helix	trans	-62.8	-47.7	178.8	-61.9	72.9	-170.1	0	0	110.3	G491 R498 L648	G491-E494 WeakPolarHBondContact CA-OE2 3.47Å; G491-E494 PolarHBondContact O-N 3.18Å; E494-R498 VanDerWaalsContact O-CB 3.29Å; E494-R498 WeakPolarHBondContact O-CB 3.44Å; E494-R498 PolarHBondContact O-N 3.04Å; E494-L648 HydrophobicContact CB-CD2 4.19Å
495	L	94.3	Very high	90.2	Very high	1 Å²	1	58.9 Å²	58.9	1%	0.005	30%	0.299	C	S	.	.	H	α-helix	trans	-62.1	-47.2	173.4	-70.2	170.1	0	0	0	112.1	L484 G491 R498 L499 I597 L648 A651 L655	L484-L495 HydrophobicContact CD1-CB 4.34Å; G491-L495 WeakPolarHBondContact O-CB 3.47Å; G491-L495 VanDerWaalsContact O-CG 3.26Å; G491-L495 WeakPolarHBondContact O-CG 3.08Å; G491-L495 PolarHBondContact O-N 3.18Å; L495-R498 PolarHBondContact O-N 2.94Å; L495-L499 PolarHBondContact O-N 2.77Å; L495-I597 HydrophobicContact CD1-CD1 4.12Å; L495-I597 HydrophobicContact CD1-CG1 4.39Å; L495-I597 HydrophobicContact CD1-CG2 4.17Å; L495-L648 HydrophobicContact CD2-CD2 4.48Å; L495-L648 HydrophobicContact CG-CD2 4.37Å; L495-A651 HydrophobicContact CD1-CB 4.36Å; L495-A651 HydrophobicContact CD2-CB 4.18Å; L495-L655 HydrophobicContact CB-CD2 4.14Å; L495-L655 HydrophobicContact CD1-CD2 4.44Å
496	R	94.5	Very high	90.3	Very high	55 Å²	55	62.6 Å²	62.6	21%	0.208	31%	0.313	C	S	.	.	H	α-helix	trans	-61.1	-46.8	177.6	-177.6	173.4	65	100.2	0.7	112.1	L484 Q492 N493 R498 L499 M500 S509 L574 N576	L484-R496 HydrophobicContact CD1-CB 4.26Å; Q492-R496 WeakPolarHBondContact O-CB 3.2Å; Q492-R496 PolarHBondContact O-N 2.68Å; N493-R496 PolarHBondContact O-N 2.89Å; R496-R498 VanDerWaalsContact C-N 3.31Å; R496-R498 PolarHBondContact O-N 2.87Å; R496-L499 PolarHBondContact O-N 2.85Å; R496-M500 HydrophobicContact CG-CG 4.38Å; R496-M500 WeakPolarHBondContact O-CB 3.47Å; R496-M500 VanDerWaalsContact O-CG 3.29Å; R496-M500 WeakPolarHBondContact O-CG 3.49Å; R496-M500 PolarHBondContact O-N 2.94Å; R496-S509 PolarHBondContact NH1-OG 2.68Å; R496-L574 HydrophobicContact CG-CB 4.05Å; R496-L574 HydrophobicContact CG-CD1 4.17Å; R496-N576 WeakPolarHBondContact CD-OD1 3.33Å; R496-N576 PolarHBondContact NE-ND2 3.49Å
497	Q	94.2	Very high	90.5	Very high	89 Å²	89	62.2 Å²	62.2	42%	0.416	31%	0.308	S	S	.	.	H	α-helix	trans	-63.6	-37.9	178.6	-70.7	-65.2	-20	0	0	111.5	N493 M500 N501	N493-Q497 WeakPolarHBondContact O-CB 3.33Å; N493-Q497 WeakPolarHBondContact O-CG 3.39Å; N493-Q497 PolarHBondContact O-N 2.72Å; Q497-M500 PolarHBondContact O-N 3.44Å; Q497-N501 WeakPolarHBondContact O-CB 3.43Å; Q497-N501 PolarHBondContact O-N 2.95Å; Q497-N501 PolarHBondContact O-ND2 3.01Å; Q497-N501 VanDerWaalsContact O-ND2 3.14Å
498	R	94.9	Very high	90.9	Very high	77 Å²	77	63 Å²	63	29%	0.291	32%	0.315	S	S	.	.	H	α-helix	trans	-64.7	-42.9	176.9	-166.7	175	-179.8	162.4	9.1	112.6	E494 L495 R496 N502 L648 D649 Y652	E494-R498 VanDerWaalsContact O-CB 3.29Å; E494-R498 WeakPolarHBondContact O-CB 3.44Å; E494-R498 PolarHBondContact O-N 3.04Å; L495-R498 PolarHBondContact O-N 2.94Å; R496-R498 VanDerWaalsContact C-N 3.31Å; R496-R498 PolarHBondContact O-N 2.87Å; R498-N502 VanDerWaalsContact O-CB 3.23Å; R498-N502 WeakPolarHBondContact O-CB 3.18Å; R498-N502 PolarHBondContact O-N 3.17Å; R498-L648 PolarHBondContact NH1-O 2.67Å; R498-D649 IonicContact CZ-OD1 2.63Å; R498-D649 IonicContact NH1-OD1 3.38Å; R498-D649 PolarHBondContact NH1-OD1 3.41Å; R498-D649 IonicContact NH2-OD1 2.7Å; R498-D649 PolarHBondContact NH2-OD1 3.38Å; R498-Y652 HydrophobicContact CB-CD2 3.96Å; R498-Y652 HydrophobicContact CB-CE2 4Å; R498-Y652 VanDerWaalsContact CD-CD2 3.44Å; R498-Y652 HydrophobicContact CG-CD2 3.63Å; R498-Y652 HydrophobicContact CG-CE2 3.55Å; R498-Y652 HydrophobicContact CG-CG 4.3Å
499	L	95.3	Very high	91.6	Very high	0 Å²	0	57.3 Å²	57.3	0%	0	29%	0.293	C	S	.	.	H	α-helix	trans	-62.5	-49.3	173.1	-69.9	168.7	0	0	0	111.5	L495 R496 N501 N502 E503 F507 L574 Y652 L655 L656 I659	L495-L499 PolarHBondContact O-N 2.77Å; R496-L499 PolarHBondContact O-N 2.85Å; L499-N501 VanDerWaalsContact C-N 3.28Å; L499-N501 PolarHBondContact O-N 3.22Å; L499-N502 PolarHBondContact O-N 3.38Å; L499-E503 PolarHBondContact O-N 3.09Å; L499-E503 VanDerWaalsContact O-N 3.12Å; L499-F507 HydrophobicContact CB-CD2 3.98Å; L499-F507 HydrophobicContact CB-CE2 3.94Å; L499-F507 HydrophobicContact CB-CG 4.44Å; L499-F507 HydrophobicContact CB-CZ 4.37Å; L499-F507 HydrophobicContact CD2-CE2 3.77Å; L499-F507 HydrophobicContact CD2-CZ 3.82Å; L499-F507 HydrophobicContact CG-CE2 4.39Å; L499-F507 HydrophobicContact CG-CZ 4.48Å; L499-F507 WeakPolarHBondContact O-CD2 3.47Å; L499-L574 HydrophobicContact CB-CD1 3.61Å; L499-L574 HydrophobicContact CD1-CD1 3.99Å; L499-L574 HydrophobicContact CD1-CD2 4.32Å; L499-L574 HydrophobicContact CG-CD1 4.47Å; L499-Y652 HydrophobicContact CD2-CD2 4.19Å; L499-Y652 HydrophobicContact CD2-CE2 3.56Å; L499-Y652 HydrophobicContact CG-CD2 4.32Å; L499-Y652 HydrophobicContact CG-CE2 3.9Å; L499-L655 HydrophobicContact CD1-CD2 3.74Å; L499-L655 HydrophobicContact CD1-CG 4.21Å; L499-L656 HydrophobicContact CD2-CD1 4.14Å; L499-I659 HydrophobicContact CD1-CD1 3.94Å; L499-I659 HydrophobicContact CD2-CD1 4.44Å
500	M	93.9	Very high	92.6	Very high	40 Å²	40	52.8 Å²	52.8	20%	0.197	27%	0.27	C	S	.	.	H	α-helix	trans	-57.3	-37.6	178.6	-74.4	-64.4	-51.2	0	0	113.4	R496 Q497 V504 F507 L574	R496-M500 HydrophobicContact CG-CG 4.38Å; R496-M500 WeakPolarHBondContact O-CB 3.47Å; R496-M500 VanDerWaalsContact O-CG 3.29Å; R496-M500 WeakPolarHBondContact O-CG 3.49Å; R496-M500 PolarHBondContact O-N 2.94Å; Q497-M500 PolarHBondContact O-N 3.44Å; M500-V504 WeakPolarHBondContact O-CG2 3.29Å; M500-F507 HydrophobicContact SD-CB 3.98Å; M500-L574 HydrophobicContact CG-CD1 4.06Å; M500-L574 HydrophobicContact SD-CD1 4.06Å
501	N	94.6	Very high	93.4	Very high	111 Å²	111	53.6 Å²	53.6	59%	0.594	28%	0.275	S	S	*	.	H	α-helix	trans	-86.6	-33.7	-176.3	-68.3	-25.9	0	0	0	113.4	Q497 L499	Q497-N501 WeakPolarHBondContact O-CB 3.43Å; Q497-N501 PolarHBondContact O-N 2.95Å; Q497-N501 PolarHBondContact O-ND2 3.01Å; Q497-N501 VanDerWaalsContact O-ND2 3.14Å; L499-N501 VanDerWaalsContact C-N 3.28Å; L499-N501 PolarHBondContact O-N 3.22Å
502	N	93.1	Very high	94	Very high	95 Å²	95	54.9 Å²	54.9	51%	0.508	28%	0.282	S	S	.	.	H	α-helix	trans	-80.9	-32.1	-177.9	-70.4	-3.2	0	0	0	112.8	R498 L499 Y652	R498-N502 VanDerWaalsContact O-CB 3.23Å; R498-N502 WeakPolarHBondContact O-CB 3.18Å; R498-N502 PolarHBondContact O-N 3.17Å; L499-N502 PolarHBondContact O-N 3.38Å; N502-Y652 WeakPolarHBondContact CB-OH 3.5Å; N502-Y652 PolarHBondContact ND2-OH 3.47Å
503	E	90.1	Very high	94.4	Very high	48 Å²	48	55 Å²	55	22%	0.224	28%	0.283	C	S	.	.			trans	-133	53.9	-172.5	-63	-175.2	179.5	0	0	111.2	L499 D505 R506 F507	L499-E503 PolarHBondContact O-N 3.09Å; L499-E503 VanDerWaalsContact O-N 3.12Å; E503-D505 PolarHBondContact O-N 2.94Å; E503-R506 HydrophobicContact CB-CB 4.31Å; E503-R506 PolarHBondContact O-N 2.91Å; E503-R506 IonicContact OE1-NH1 3.36Å; E503-R506 VanDerWaalsContact OE2-CD 3.31Å; E503-R506 WeakPolarHBondContact OE2-CD 3.35Å; E503-R506 IonicContact OE2-CZ 2.87Å; E503-R506 IonicContact OE2-NE 3.28Å; E503-R506 IonicContact OE2-NH1 3.82Å; E503-R506 PolarHBondContact OE2-NH1 2.54Å; E503-F507 HydrophobicContact CB-CD2 3.77Å; E503-F507 HydrophobicContact CB-CE2 3.81Å; E503-F507 PolarHBondContact O-N 3.5Å; E503-F507 VanDerWaalsContact O-N 3.16Å; E503-F507 VanDerWaalsContact OE2-CE2 3.31Å; E503-F507 WeakPolarHBondContact OE2-CE2 3.41Å
504	V	90.8	Very high	94.7	Very high	88 Å²	88	50.6 Å²	50.6	53%	0.533	26%	0.259	S	S	.	.	T	Hydrogen-bonded Turn	trans	-49.7	-33.6	-176.3	-172.8	0	0	0	0	113.2	M500 K571	M500-V504 WeakPolarHBondContact O-CG2 3.29Å; V504-K571 PolarHBondContact O-NZ 2.79Å
505	D	92.3	Very high	95	Very high	141 Å²	141	47.7 Å²	47.7	75%	0.754	25%	0.247	S	C	*	.	T	Hydrogen-bonded Turn	trans	-75.9	-29.4	179.6	-66	-48	0	0	0	113.5	E503 K571	E503-D505 PolarHBondContact O-N 2.94Å; D505-K571 WeakPolarHBondContact O-CE 3.25Å; D505-K571 PolarHBondContact O-NZ 2.88Å; D505-K571 VanDerWaalsContact O-NZ 3.17Å
506	R	95.1	Very high	95.2	Very high	77 Å²	77	48.6 Å²	48.6	29%	0.291	25%	0.251	S	S	.	.	T	Hydrogen-bonded Turn	trans	-86.1	-39.7	-178.5	-64	-178.9	67.2	-159.4	8.6	112.7	E503 I572 N660	E503-R506 HydrophobicContact CB-CB 4.31Å; E503-R506 PolarHBondContact O-N 2.91Å; E503-R506 IonicContact OE1-NH1 3.36Å; E503-R506 VanDerWaalsContact OE2-CD 3.31Å; E503-R506 WeakPolarHBondContact OE2-CD 3.35Å; E503-R506 IonicContact OE2-CZ 2.87Å; E503-R506 IonicContact OE2-NE 3.28Å; E503-R506 IonicContact OE2-NH1 3.82Å; E503-R506 PolarHBondContact OE2-NH1 2.54Å; R506-I572 PolarHBondContact O-N 3.49Å; R506-N660 PolarHBondContact NH1-OD1 3.27Å; R506-N660 PolarHBondContact NH2-OD1 2.98Å
507	F	96.9	Very high	95.2	Very high	3 Å²	3	50.7 Å²	50.7	1%	0.013	27%	0.274	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102	153.7	-173	-61.9	-69.8	0	0	0	113.6	L499 M500 E503 I572 L574 L656 I659	L499-F507 HydrophobicContact CB-CD2 3.98Å; L499-F507 HydrophobicContact CB-CE2 3.94Å; L499-F507 HydrophobicContact CB-CG 4.44Å; L499-F507 HydrophobicContact CB-CZ 4.37Å; L499-F507 HydrophobicContact CD2-CE2 3.77Å; L499-F507 HydrophobicContact CD2-CZ 3.82Å; L499-F507 HydrophobicContact CG-CE2 4.39Å; L499-F507 HydrophobicContact CG-CZ 4.48Å; L499-F507 WeakPolarHBondContact O-CD2 3.47Å; M500-F507 HydrophobicContact SD-CB 3.98Å; E503-F507 HydrophobicContact CB-CD2 3.77Å; E503-F507 HydrophobicContact CB-CE2 3.81Å; E503-F507 PolarHBondContact O-N 3.5Å; E503-F507 VanDerWaalsContact O-N 3.16Å; E503-F507 VanDerWaalsContact OE2-CE2 3.31Å; E503-F507 WeakPolarHBondContact OE2-CE2 3.41Å; F507-I572 WeakPolarHBondContact CA-O 3.49Å; F507-I572 HydrophobicContact CD1-CB 3.65Å; F507-I572 HydrophobicContact CD1-CD1 4.25Å; F507-I572 HydrophobicContact CD1-CG2 3.76Å; F507-I572 HydrophobicContact CE1-CB 3.87Å; F507-I572 HydrophobicContact CE1-CD1 3.74Å; F507-I572 HydrophobicContact CE1-CG1 4.42Å; F507-I572 HydrophobicContact CE1-CG2 3.71Å; F507-I572 HydrophobicContact CZ-CD1 4.27Å; F507-L574 HydrophobicContact CB-CD1 3.89Å; F507-L574 HydrophobicContact CB-CG 4.15Å; F507-L574 HydrophobicContact CD1-CD1 3.65Å; F507-L574 HydrophobicContact CD1-CD2 3.54Å; F507-L574 HydrophobicContact CD1-CG 3.55Å; F507-L574 HydrophobicContact CE1-CD1 4.34Å; F507-L574 HydrophobicContact CE1-CD2 3.79Å; F507-L574 HydrophobicContact CE1-CG 4.29Å; F507-L574 HydrophobicContact CG-CD1 3.77Å; F507-L574 HydrophobicContact CG-CD2 4.47Å; F507-L574 HydrophobicContact CG-CG 4.09Å; F507-L656 HydrophobicContact CZ-CD1 4.49Å; F507-I659 HydrophobicContact CE1-CD1 4.17Å; F507-I659 HydrophobicContact CE1-CG2 4.12Å; F507-I659 HydrophobicContact CZ-CD1 4.2Å; F507-I659 HydrophobicContact CZ-CG2 4.15Å
508	A	96.3	Very high	95.3	Very high	21 Å²	21	53 Å²	53	17%	0.174	28%	0.279	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-148.8	157.7	166.4	0	0	0	0	0	110.6	V566 K571 I572 C573 L574	A508-V566 HydrophobicContact CB-CG1 3.74Å; A508-V566 HydrophobicContact CB-CG2 4.46Å; A508-K571 HydrophobicContact CB-CB 4.23Å; A508-K571 HydrophobicContact CB-CD 3.95Å; A508-I572 PolarHBondContact N-O 3.49Å; A508-C573 CarbonylContact O-C 3.51Å; A508-C573 WeakPolarHBondContact O-CA 3.47Å; A508-L574 PolarHBondContact O-N 3.13Å
509	S	95.5	Very high	95.3	Very high	43 Å²	43	55.6 Å²	55.6	30%	0.301	29%	0.289	S	S	.	.	P	Polyproline II helix	trans	-100.9	141.6	167.5	-64.6	0	0	0	0	109.4	R496	R496-S509 PolarHBondContact NH1-OG 2.68Å
510	A	96.4	Very high	95.2	Very high	9 Å²	9	64.9 Å²	64.9	7%	0.074	33%	0.332	C	S	.	.	P	Polyproline II helix	trans	-63.3	138.2	171.4	0	0	0	0	0	110.7	P512 T558 V563 V566 L575	A510-P512 VanDerWaalsContact O-CD 3.3Å; A510-P512 WeakPolarHBondContact O-CD 3.22Å; A510-T558 HydrophobicContact CB-CG2 4.02Å; A510-V563 HydrophobicContact CB-CG2 3.83Å; A510-V566 HydrophobicContact CB-CG2 4.47Å; A510-L575 HydrophobicContact CB-CD2 4.03Å
511	V	96.8	Very high	95.2	Very high	25 Å²	25	69.1 Å²	69.1	15%	0.152	36%	0.355	C	S	.	.	P	Polyproline II helix	trans	-75.6	116.6	-179.8	-173.8	0	0	0	0	109.4	H529 S562	V511-H529 VanDerWaalsContact CG1-CD2 3.48Å; V511-H529 WeakPolarHBondContact CG1-CD2 3.15Å; V511-H529 PolarHBondContact O-CD2 3.07Å; V511-S562 VanDerWaalsContact O-CB 3.24Å; V511-S562 WeakPolarHBondContact O-CB 3.33Å; V511-S562 PolarHBondContact O-OG 2.93Å
512	P	96.9	Very high	95.3	Very high	33 Å²	33	64.7 Å²	64.7	21%	0.214	33%	0.331	C	S	.	.	P	Polyproline II helix	trans	-77.7	161	-177.3	31.5	-34.3	0	0	0	112	A510 Y528 H529 G557	A510-P512 VanDerWaalsContact O-CD 3.3Å; A510-P512 WeakPolarHBondContact O-CD 3.22Å; P512-Y528 HydrophobicContact CB-CD1 4.28Å; P512-Y528 HydrophobicContact CB-CE1 4.36Å; P512-Y528 HydrophobicContact CG-CD1 3.65Å; P512-Y528 HydrophobicContact CG-CE1 3.62Å; P512-Y528 CarbonylContact O-C 3.5Å; P512-Y528 VanDerWaalsContact O-CA 3.25Å; P512-Y528 WeakPolarHBondContact O-CA 3.31Å; P512-H529 PolarHBondContact O-N 2.88Å; P512-G557 CarbonylContact C-O 3.49Å; P512-G557 WeakPolarHBondContact CA-O 3.36Å
513	H	98.1	Very high	95.4	Very high	23 Å²	23	63.5 Å²	63.5	11%	0.106	33%	0.327	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.8	152	172.2	-64.5	56.2	0	0	0	110.2	H529 I531 F536 F545 Y556 G557 S559 S562	H513-H529 CarbonylContact C-O 3.59Å; H513-H529 VanDerWaalsContact CA-O 3.32Å; H513-H529 WeakPolarHBondContact CA-O 3.39Å; H513-H529 HydrophobicContact CB-CB 4.32Å; H513-H529 VanDerWaalsContact CD2-CB 3.46Å; H513-H529 WeakPolarHBondContact CD2-CB 3.5Å; H513-H529 AromaticContact CE1-CD2 3.73Å; H513-H529 AromaticContact CE1-CG 3.76Å; H513-H529 AromaticContact NE2-CG 3.72Å; H513-I531 HydrophobicContact CB-CD1 4.33Å; H513-F536 HydrophobicContact CB-CD2 4.34Å; H513-F536 HydrophobicContact CB-CE2 3.94Å; H513-F545 HydrophobicContact CB-CE1 3.83Å; H513-F545 HydrophobicContact CB-CZ 3.94Å; H513-F545 AromaticContact CG-CE1 3.91Å; H513-Y556 WeakPolarHBondContact O-CA 3.41Å; H513-G557 PolarHBondContact N-O 3.31Å; H513-G557 PolarHBondContact O-N 2.98Å; H513-G557 VanDerWaalsContact O-N 3.14Å; H513-S559 PolarHBondContact CE1-OG 2.67Å; H513-S562 PolarHBondContact CE1-OG 3.5Å
514	T	98	Very high	95.5	Very high	0 Å²	0	64.3 Å²	64.3	0%	0	34%	0.342	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-147.8	152.3	170.5	-171.6	0	0	0	0	112.8	R516 Y528 H529 F530 I531 L555 Y556	T514-R516 HydrophobicContact CG2-CB 4.19Å; T514-R516 PolarHBondContact OG1-N 2.63Å; T514-R516 VanDerWaalsContact OG1-N 3.16Å; T514-Y528 HydrophobicContact CG2-CD1 3.73Å; T514-Y528 HydrophobicContact CG2-CG 3.75Å; T514-H529 PolarHBondContact N-O 2.89Å; T514-F530 HydrophobicContact CG2-CD1 3.53Å; T514-F530 HydrophobicContact CG2-CE1 3.81Å; T514-F530 HydrophobicContact CG2-CG 4.48Å; T514-I531 PolarHBondContact O-N 3.3Å; T514-L555 VanDerWaalsContact CA-O 3.24Å; T514-L555 WeakPolarHBondContact CA-O 3.27Å; T514-L555 PolarHBondContact OG1-O 2.8Å; T514-L555 VanDerWaalsContact OG1-O 3.07Å; T514-Y556 HydrophobicContact CG2-CE1 4.4Å; T514-Y556 VanDerWaalsContact OG1-CD1 3.29Å; T514-Y556 WeakPolarHBondContact OG1-CD1 3.42Å; T514-Y556 WeakPolarHBondContact OG1-CE1 3.48Å
515	T	97.6	Very high	95.4	Very high	23 Å²	23	62 Å²	62	14%	0.141	34%	0.336	C	S	.	.	S	Bend	trans	-88.5	-5.6	170.1	69.2	0	0	0	0	113.8	I531 R533 F536 N554 L555	T515-I531 WeakPolarHBondContact CA-O 3.46Å; T515-R533 HydrophobicContact CG2-CB 3.99Å; T515-F536 HydrophobicContact CG2-CB 3.72Å; T515-F536 HydrophobicContact CG2-CD2 3.79Å; T515-F536 HydrophobicContact CG2-CG 3.93Å; T515-N554 WeakPolarHBondContact OG1-CA 3.24Å; T515-L555 HydrophobicContact CG2-CB 3.78Å; T515-L555 HydrophobicContact CG2-CD1 4.28Å; T515-L555 HydrophobicContact CG2-CG 4.13Å; T515-L555 PolarHBondContact N-O 3.18Å; T515-L555 PolarHBondContact OG1-N 3.28Å
516	R	97.1	Very high	95.4	Very high	20 Å²	20	62.5 Å²	62.5	8%	0.075	33%	0.328	C	S	.	.	S	Bend	trans	-69.9	146.8	178.5	-174.1	-178.6	49.2	81.7	-12.2	110.5	T514 E522 F530 N554 Y556	T514-R516 HydrophobicContact CG2-CB 4.19Å; T514-R516 PolarHBondContact OG1-N 2.63Å; T514-R516 VanDerWaalsContact OG1-N 3.16Å; R516-E522 IonicContact CZ-OE1 2.62Å; R516-E522 IonicContact CZ-OE2 2.96Å; R516-E522 IonicContact NH1-OE1 3.14Å; R516-E522 PolarHBondContact NH1-OE1 2.96Å; R516-E522 IonicContact NH1-OE2 3.53Å; R516-E522 PolarHBondContact NH1-OE2 3.03Å; R516-E522 IonicContact NH2-OE1 2.93Å; R516-E522 PolarHBondContact NH2-OE1 3.26Å; R516-E522 IonicContact NH2-OE2 3.39Å; R516-E522 PolarHBondContact NH2-OE2 2.81Å; R516-F530 WeakPolarHBondContact O-CD1 3.31Å; R516-N554 WeakPolarHBondContact CA-OD1 3.4Å; R516-N554 HydrophobicContact CB-CB 4.1Å; R516-N554 PolarHBondContact N-OD1 3.05Å; R516-Y556 WeakPolarHBondContact CD-OH 3.45Å; R516-Y556 PolarHBondContact NE-OH 3.03Å; R516-Y556 VanDerWaalsContact NE-OH 3.12Å
517	S	95	Very high	95.3	Very high	99 Å²	99	61 Å²	61	69%	0.692	33%	0.325	S	S	*	.	P	Polyproline II helix	trans	-63.8	138.7	168	47.8	0	0	0	0	112.1	R519	S517-R519 PolarHBondContact O-N 2.81Å
518	R	96.4	Very high	95.3	Very high	138 Å²	138	63.9 Å²	63.9	52%	0.521	34%	0.336	S	S	.	.	P	Polyproline II helix	trans	-60.6	130.3	174.8	-174.5	-179.3	77.7	77.8	2.3	110.9	E522 F530	R518-E522 VanDerWaalsContact CD-O 3.24Å; R518-E522 WeakPolarHBondContact CD-O 3.31Å; R518-E522 HydrophobicContact CG-CB 3.94Å; R518-E522 WeakPolarHBondContact CG-O 3.47Å; R518-E522 PolarHBondContact NH1-O 3.44Å; R518-F530 HydrophobicContact CB-CD1 3.95Å; R518-F530 HydrophobicContact CB-CD2 3.93Å; R518-F530 HydrophobicContact CB-CE1 3.89Å; R518-F530 HydrophobicContact CB-CE2 3.88Å; R518-F530 HydrophobicContact CB-CG 3.97Å; R518-F530 HydrophobicContact CB-CZ 3.85Å; R518-F530 HydrophobicContact CG-CD2 3.99Å; R518-F530 HydrophobicContact CG-CE1 4.24Å; R518-F530 HydrophobicContact CG-CE2 3.54Å; R518-F530 HydrophobicContact CG-CZ 3.67Å
519	R	95.4	Very high	95.3	Very high	131 Å²	131	65.4 Å²	65.4	49%	0.494	34%	0.34	S	S	.	.	P	Polyproline II helix	trans	-80.6	160.7	171	-65.1	164.7	177.2	157	-5.2	110.6	S517 N521 E522	S517-R519 PolarHBondContact O-N 2.81Å; R519-N521 WeakPolarHBondContact CB-OD1 3.21Å; R519-N521 PolarHBondContact O-N 3.41Å; R519-E522 HydrophobicContact CB-CG 4Å; R519-E522 WeakPolarHBondContact CB-OE2 3.37Å; R519-E522 PolarHBondContact N-OE2 2.7Å; R519-E522 IonicContact NH1-OE1 2.66Å; R519-E522 PolarHBondContact O-N 2.95Å
520	E	93.2	Very high	95.4	Very high	195 Å²	195	65.7 Å²	65.7	91%	0.911	34%	0.336	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56.8	-36.9	-174.7	-61.3	-178.4	161.4	0	0	113.2
521	N	94.5	Very high	95.5	Very high	128 Å²	128	67.4 Å²	67.4	68%	0.684	34%	0.343	S	S	*	.	T	Hydrogen-bonded Turn	trans	-85.5	-0.8	-179.9	67.9	-46.8	0	0	0	115.1	R519	R519-N521 WeakPolarHBondContact CB-OD1 3.21Å; R519-N521 PolarHBondContact O-N 3.41Å
522	E	95.6	Very high	95.5	Very high	18 Å²	18	69.5 Å²	69.5	8%	0.084	36%	0.359	C	S	.	.			trans	-100.8	138.5	-176	-66.7	173.6	156.9	0	0	112	R516 R518 R519 D527 F530	R516-E522 IonicContact CZ-OE1 2.62Å; R516-E522 IonicContact CZ-OE2 2.96Å; R516-E522 IonicContact NH1-OE1 3.14Å; R516-E522 PolarHBondContact NH1-OE1 2.96Å; R516-E522 IonicContact NH1-OE2 3.53Å; R516-E522 PolarHBondContact NH1-OE2 3.03Å; R516-E522 IonicContact NH2-OE1 2.93Å; R516-E522 PolarHBondContact NH2-OE1 3.26Å; R516-E522 IonicContact NH2-OE2 3.39Å; R516-E522 PolarHBondContact NH2-OE2 2.81Å; R518-E522 VanDerWaalsContact CD-O 3.24Å; R518-E522 WeakPolarHBondContact CD-O 3.31Å; R518-E522 HydrophobicContact CG-CB 3.94Å; R518-E522 WeakPolarHBondContact CG-O 3.47Å; R518-E522 PolarHBondContact NH1-O 3.44Å; R519-E522 HydrophobicContact CB-CG 4Å; R519-E522 WeakPolarHBondContact CB-OE2 3.37Å; R519-E522 PolarHBondContact N-OE2 2.7Å; R519-E522 IonicContact NH1-OE1 2.66Å; R519-E522 PolarHBondContact O-N 2.95Å; E522-D527 WeakPolarHBondContact CA-OD2 3.47Å; E522-F530 HydrophobicContact CB-CE2 4.46Å; E522-F530 HydrophobicContact CB-CZ 3.9Å
523	V	94.9	Very high	95.5	Very high	70 Å²	70	72.5 Å²	72.5	42%	0.424	37%	0.366	S	S	.	.			trans	-106.1	122	-179.2	179.6	0	0	0	0	110.2	R526 D527	V523-R526 HydrophobicContact CB-CB 4.13Å; V523-R526 HydrophobicContact CG1-CB 4.05Å; V523-R526 PolarHBondContact O-N 3.49Å; V523-D527 PolarHBondContact N-OD2 3.36Å; V523-D527 PolarHBondContact O-N 2.76Å
524	A	93.4	Very high	95.5	Very high	66 Å²	66	77 Å²	77	55%	0.545	39%	0.388	S	S	.	.	B	Isolated β-bridge	trans	-64.3	134.2	176.6	0	0	0	0	0	111.1	R526 F530	A524-R526 PolarHBondContact O-N 3.47Å; A524-F530 HydrophobicContact CB-CD2 3.88Å; A524-F530 HydrophobicContact CB-CE2 4.29Å
525	G	88.4	Confident	95.5	Very high	40 Å²	40	78.5 Å²	78.5	41%	0.412	40%	0.4	S	S	.	.	T	Hydrogen-bonded Turn	trans	76.2	1.9	-176.6	0	0	0	0	0	115.1	Y528	G525-Y528 PolarHBondContact N-O 3.25Å
526	R	91.2	Very high	95.5	Very high	151 Å²	151	77.4 Å²	77.4	57%	0.57	39%	0.393	S	S	*	.	T	Hydrogen-bonded Turn	trans	-115.9	-51.1	166.7	-171.4	-164.2	70.7	-167.4	-5.6	111.5	V523 A524	V523-R526 HydrophobicContact CB-CB 4.13Å; V523-R526 HydrophobicContact CG1-CB 4.05Å; V523-R526 PolarHBondContact O-N 3.49Å; A524-R526 PolarHBondContact O-N 3.47Å
527	D	92.8	Very high	95.6	Very high	45 Å²	45	80 Å²	80	24%	0.241	41%	0.406	C	S	.	.	T	Hydrogen-bonded Turn	trans	-92.1	-45.1	-175.3	-55.5	-29.7	0	0	0	110.8	E522 V523	E522-D527 WeakPolarHBondContact CA-OD2 3.47Å; V523-D527 PolarHBondContact N-OD2 3.36Å; V523-D527 PolarHBondContact O-N 2.76Å
528	Y	97.2	Very high	95.7	Very high	63 Å²	63	79.6 Å²	79.6	25%	0.247	40%	0.396	C	S	.	.	B	Isolated β-bridge	trans	-148.4	156.7	169.4	-66.1	-92.7	0	0	0	111.6	P512 T514 G525 F530 Y556	P512-Y528 HydrophobicContact CB-CD1 4.28Å; P512-Y528 HydrophobicContact CB-CE1 4.36Å; P512-Y528 HydrophobicContact CG-CD1 3.65Å; P512-Y528 HydrophobicContact CG-CE1 3.62Å; P512-Y528 CarbonylContact O-C 3.5Å; P512-Y528 VanDerWaalsContact O-CA 3.25Å; P512-Y528 WeakPolarHBondContact O-CA 3.31Å; T514-Y528 HydrophobicContact CG2-CD1 3.73Å; T514-Y528 HydrophobicContact CG2-CG 3.75Å; G525-Y528 PolarHBondContact N-O 3.25Å; Y528-F530 HydrophobicContact CD2-CE1 4.12Å; Y528-F530 AromaticContact CD2-CZ 3.97Å; Y528-F530 HydrophobicContact CD2-CZ 3.97Å; Y528-F530 HydrophobicContact CG-CE1 4.22Å; Y528-F530 HydrophobicContact CG-CZ 4.25Å; Y528-F530 WeakPolarHBondContact O-CD2 3.31Å; Y528-Y556 HydrophobicContact CD1-CD1 4.33Å; Y528-Y556 HydrophobicContact CD1-CE1 4.49Å; Y528-Y556 AromaticContact CE1-CD1 3.69Å; Y528-Y556 HydrophobicContact CE1-CD1 3.69Å; Y528-Y556 AromaticContact CE1-CE1 3.82Å; Y528-Y556 HydrophobicContact CE1-CE1 3.82Å
529	H	97.3	Very high	95.7	Very high	53 Å²	53	74.6 Å²	74.6	25%	0.245	38%	0.38	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.8	99.9	154.8	-65.2	-95.6	0	0	0	108.8	V511 P512 H513 T514 I531	V511-H529 VanDerWaalsContact CG1-CD2 3.48Å; V511-H529 WeakPolarHBondContact CG1-CD2 3.15Å; V511-H529 PolarHBondContact O-CD2 3.07Å; P512-H529 PolarHBondContact O-N 2.88Å; H513-H529 CarbonylContact C-O 3.59Å; H513-H529 VanDerWaalsContact CA-O 3.32Å; H513-H529 WeakPolarHBondContact CA-O 3.39Å; H513-H529 HydrophobicContact CB-CB 4.32Å; H513-H529 VanDerWaalsContact CD2-CB 3.46Å; H513-H529 WeakPolarHBondContact CD2-CB 3.5Å; H513-H529 AromaticContact CE1-CD2 3.73Å; H513-H529 AromaticContact CE1-CG 3.76Å; H513-H529 AromaticContact NE2-CG 3.72Å; T514-H529 PolarHBondContact N-O 2.89Å; H529-I531 PolarHBondContact O-N 3.07Å
530	F	97.6	Very high	95.8	Very high	49 Å²	49	70.4 Å²	70.4	22%	0.215	37%	0.366	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.1	110.5	179	-58.8	-79.7	0	0	0	109.9	T514 R516 R518 E522 A524 Y528	T514-F530 HydrophobicContact CG2-CD1 3.53Å; T514-F530 HydrophobicContact CG2-CE1 3.81Å; T514-F530 HydrophobicContact CG2-CG 4.48Å; R516-F530 WeakPolarHBondContact O-CD1 3.31Å; R518-F530 HydrophobicContact CB-CD1 3.95Å; R518-F530 HydrophobicContact CB-CD2 3.93Å; R518-F530 HydrophobicContact CB-CE1 3.89Å; R518-F530 HydrophobicContact CB-CE2 3.88Å; R518-F530 HydrophobicContact CB-CG 3.97Å; R518-F530 HydrophobicContact CB-CZ 3.85Å; R518-F530 HydrophobicContact CG-CD2 3.99Å; R518-F530 HydrophobicContact CG-CE1 4.24Å; R518-F530 HydrophobicContact CG-CE2 3.54Å; R518-F530 HydrophobicContact CG-CZ 3.67Å; E522-F530 HydrophobicContact CB-CE2 4.46Å; E522-F530 HydrophobicContact CB-CZ 3.9Å; A524-F530 HydrophobicContact CB-CD2 3.88Å; A524-F530 HydrophobicContact CB-CE2 4.29Å; Y528-F530 HydrophobicContact CD2-CE1 4.12Å; Y528-F530 AromaticContact CD2-CZ 3.97Å; Y528-F530 HydrophobicContact CD2-CZ 3.97Å; Y528-F530 HydrophobicContact CG-CE1 4.22Å; Y528-F530 HydrophobicContact CG-CZ 4.25Å; Y528-F530 WeakPolarHBondContact O-CD2 3.31Å
531	I	97.6	Very high	95.9	Very high	45 Å²	45	65.4 Å²	65.4	23%	0.231	36%	0.359	C	S	.	.			trans	-127.1	166.5	-176.6	62.4	167.7	0	0	0	111.5	H513 T514 T515 H529 A535 F536	H513-I531 HydrophobicContact CB-CD1 4.33Å; T514-I531 PolarHBondContact O-N 3.3Å; T515-I531 WeakPolarHBondContact CA-O 3.46Å; H529-I531 PolarHBondContact O-N 3.07Å; I531-A535 HydrophobicContact CB-CB 4.29Å; I531-A535 HydrophobicContact CD1-CB 4.3Å; I531-F536 HydrophobicContact CD1-CB 3.72Å; I531-F536 HydrophobicContact CD1-CD2 3.78Å; I531-F536 HydrophobicContact CD1-CG 4.08Å; I531-F536 HydrophobicContact CG1-CB 4.26Å; I531-F536 HydrophobicContact CG1-CD2 4.09Å
532	S	97.8	Very high	95.9	Very high	70 Å²	70	62.4 Å²	62.4	49%	0.49	35%	0.352	S	S	.	.			trans	-75	154.8	173.9	70.5	0	0	0	0	111	Q534 A535 F536	S532-Q534 VanDerWaalsContact C-N 3.25Å; S532-Q534 PolarHBondContact O-N 2.77Å; S532-A535 PolarHBondContact O-N 2.74Å; S532-A535 VanDerWaalsContact O-N 3.08Å; S532-A535 WeakPolarHBondContact OG-CB 3.45Å; S532-A535 PolarHBondContact OG-N 2.79Å; S532-A535 VanDerWaalsContact OG-N 3.13Å; S532-F536 PolarHBondContact O-N 3.32Å
533	R	97.2	Very high	95.8	Very high	96 Å²	96	63.7 Å²	63.7	36%	0.362	37%	0.369	S	S	.	.	H	α-helix	trans	-56.3	-40.4	173.7	177.8	179	-86.9	-106	10.3	112	T515 A535 F536 E537 E550 K553 L555	T515-R533 HydrophobicContact CG2-CB 3.99Å; R533-A535 PolarHBondContact O-N 3.27Å; R533-F536 WeakPolarHBondContact O-CB 3.42Å; R533-F536 PolarHBondContact O-N 3.43Å; R533-E537 WeakPolarHBondContact CD-OE1 3.11Å; R533-E537 VanDerWaalsContact CG-CD 3.46Å; R533-E537 HydrophobicContact CG-CG 4.22Å; R533-E537 WeakPolarHBondContact CG-OE1 3.27Å; R533-E537 IonicContact CZ-OE1 2.68Å; R533-E537 IonicContact NE-OE1 2.72Å; R533-E537 IonicContact NH1-OE1 3.78Å; R533-E537 PolarHBondContact NH1-OE1 3.32Å; R533-E537 WeakPolarHBondContact O-CB 3.46Å; R533-E537 WeakPolarHBondContact O-CG 3.44Å; R533-E537 PolarHBondContact O-N 3.42Å; R533-E550 IonicContact CZ-OE1 3.72Å; R533-E550 IonicContact NH2-OE1 3.52Å; R533-E550 PolarHBondContact NH2-OE1 2.9Å; R533-K553 PolarHBondContact NH2-O 2.68Å; R533-L555 HydrophobicContact CG-CD1 4.35Å
534	Q	97.8	Very high	95.9	Very high	118 Å²	118	64.3 Å²	64.3	55%	0.551	37%	0.367	S	S	*	.	H	α-helix	trans	-60.9	-41.3	174.6	-172.9	66.7	71.7	0	0	112.7	S532 N538	S532-Q534 VanDerWaalsContact C-N 3.25Å; S532-Q534 PolarHBondContact O-N 2.77Å; Q534-N538 PolarHBondContact NE2-OD1 3.39Å; Q534-N538 WeakPolarHBondContact O-CB 3.45Å; Q534-N538 PolarHBondContact O-N 2.94Å; Q534-N538 PolarHBondContact O-OD1 3.27Å; Q534-N538 VanDerWaalsContact O-OD1 3.07Å
535	A	97.8	Very high	96	Very high	31 Å²	31	61.6 Å²	61.6	26%	0.256	34%	0.342	S	S	.	.	H	α-helix	trans	-65.8	-42.6	175.9	0	0	0	0	0	111.2	I531 S532 R533 E537 N538 D539	I531-A535 HydrophobicContact CB-CB 4.29Å; I531-A535 HydrophobicContact CD1-CB 4.3Å; S532-A535 PolarHBondContact O-N 2.74Å; S532-A535 VanDerWaalsContact O-N 3.08Å; S532-A535 WeakPolarHBondContact OG-CB 3.45Å; S532-A535 PolarHBondContact OG-N 2.79Å; S532-A535 VanDerWaalsContact OG-N 3.13Å; R533-A535 PolarHBondContact O-N 3.27Å; A535-E537 PolarHBondContact O-N 3.17Å; A535-N538 PolarHBondContact O-N 2.72Å; A535-D539 WeakPolarHBondContact O-CB 3.48Å; A535-D539 PolarHBondContact O-N 2.97Å
536	F	98.4	Very high	96.4	Very high	0 Å²	0	59.9 Å²	59.9	0%	0	32%	0.324	C	S	.	.	H	α-helix	trans	-60.9	-46.3	177	-158.3	-63.3	0	0	0	111.4	H513 T515 I531 S532 R533 D539 I540 F545 Y548 L555 Y556	H513-F536 HydrophobicContact CB-CD2 4.34Å; H513-F536 HydrophobicContact CB-CE2 3.94Å; T515-F536 HydrophobicContact CG2-CB 3.72Å; T515-F536 HydrophobicContact CG2-CD2 3.79Å; T515-F536 HydrophobicContact CG2-CG 3.93Å; I531-F536 HydrophobicContact CD1-CB 3.72Å; I531-F536 HydrophobicContact CD1-CD2 3.78Å; I531-F536 HydrophobicContact CD1-CG 4.08Å; I531-F536 HydrophobicContact CG1-CB 4.26Å; I531-F536 HydrophobicContact CG1-CD2 4.09Å; S532-F536 PolarHBondContact O-N 3.32Å; R533-F536 WeakPolarHBondContact O-CB 3.42Å; R533-F536 PolarHBondContact O-N 3.43Å; F536-D539 PolarHBondContact O-N 3Å; F536-I540 HydrophobicContact CD1-CD1 3.65Å; F536-I540 HydrophobicContact CD1-CG1 3.93Å; F536-I540 HydrophobicContact CE1-CD1 3.77Å; F536-I540 HydrophobicContact CE1-CG1 3.95Å; F536-I540 WeakPolarHBondContact O-CG1 3.48Å; F536-I540 PolarHBondContact O-N 2.99Å; F536-F545 HydrophobicContact CD1-CD2 4.43Å; F536-F545 AromaticContact CD1-CE2 3.7Å; F536-F545 HydrophobicContact CD1-CE2 3.7Å; F536-F545 HydrophobicContact CD1-CZ 4.09Å; F536-F545 HydrophobicContact CD2-CE2 4.46Å; F536-F545 HydrophobicContact CD2-CZ 4.05Å; F536-F545 AromaticContact CE1-CD2 3.98Å; F536-F545 HydrophobicContact CE1-CD2 3.98Å; F536-F545 HydrophobicContact CE1-CE1 4.39Å; F536-F545 AromaticContact CE1-CE2 3.53Å; F536-F545 HydrophobicContact CE1-CE2 3.53Å; F536-F545 AromaticContact CE1-CZ 3.78Å; F536-F545 HydrophobicContact CE1-CZ 3.78Å; F536-F545 HydrophobicContact CE2-CE1 4.21Å; F536-F545 HydrophobicContact CE2-CE2 4.34Å; F536-F545 AromaticContact CE2-CZ 3.76Å; F536-F545 HydrophobicContact CE2-CZ 3.76Å; F536-F545 HydrophobicContact CG-CE2 4.14Å; F536-F545 HydrophobicContact CG-CZ 4.19Å; F536-F545 HydrophobicContact CZ-CD1 4.44Å; F536-F545 HydrophobicContact CZ-CD2 4.43Å; F536-F545 AromaticContact CZ-CE1 3.92Å; F536-F545 HydrophobicContact CZ-CE1 3.92Å; F536-F545 AromaticContact CZ-CE2 3.87Å; F536-F545 HydrophobicContact CZ-CE2 3.87Å; F536-F545 AromaticContact CZ-CZ 3.6Å; F536-F545 HydrophobicContact CZ-CZ 3.6Å; F536-Y548 HydrophobicContact CE1-CG 4.42Å; F536-L555 HydrophobicContact CB-CD1 4.27Å; F536-L555 HydrophobicContact CD1-CB 3.88Å; F536-L555 HydrophobicContact CD1-CD1 3.64Å; F536-L555 HydrophobicContact CD1-CG 4.42Å; F536-L555 HydrophobicContact CD2-CB 4.02Å; F536-L555 HydrophobicContact CE1-CB 3.86Å; F536-L555 HydrophobicContact CE1-CD1 4.23Å; F536-L555 HydrophobicContact CE2-CB 3.97Å; F536-L555 HydrophobicContact CG-CB 4Å; F536-L555 HydrophobicContact CG-CD1 4.01Å; F536-L555 HydrophobicContact CZ-CB 3.91Å; F536-Y556 VanDerWaalsContact CZ-C 3.5Å
537	E	97.4	Very high	96.6	Very high	75 Å²	75	55 Å²	55	35%	0.35	31%	0.307	S	S	.	.	H	α-helix	trans	-66.7	-35.8	178.7	-72.2	166.4	179.8	0	0	111.9	R533 A535 A541 L555	R533-E537 WeakPolarHBondContact CD-OE1 3.11Å; R533-E537 VanDerWaalsContact CG-CD 3.46Å; R533-E537 HydrophobicContact CG-CG 4.22Å; R533-E537 WeakPolarHBondContact CG-OE1 3.27Å; R533-E537 IonicContact CZ-OE1 2.68Å; R533-E537 IonicContact NE-OE1 2.72Å; R533-E537 IonicContact NH1-OE1 3.78Å; R533-E537 PolarHBondContact NH1-OE1 3.32Å; R533-E537 WeakPolarHBondContact O-CB 3.46Å; R533-E537 WeakPolarHBondContact O-CG 3.44Å; R533-E537 PolarHBondContact O-N 3.42Å; A535-E537 PolarHBondContact O-N 3.17Å; E537-A541 PolarHBondContact O-N 3.23Å; E537-L555 HydrophobicContact CG-CD1 4.1Å
538	N	97.8	Very high	96.7	Very high	89 Å²	89	58.5 Å²	58.5	48%	0.476	32%	0.318	S	S	.	.	H	α-helix	trans	-64.9	-39.3	170.6	-67.2	0.1	0	0	0	112.2	Q534 A535 A541 A542	Q534-N538 PolarHBondContact NE2-OD1 3.39Å; Q534-N538 WeakPolarHBondContact O-CB 3.45Å; Q534-N538 PolarHBondContact O-N 2.94Å; Q534-N538 PolarHBondContact O-OD1 3.27Å; Q534-N538 VanDerWaalsContact O-OD1 3.07Å; A535-N538 PolarHBondContact O-N 2.72Å; N538-A541 PolarHBondContact O-N 3.05Å; N538-A542 WeakPolarHBondContact O-CB 3.36Å; N538-A542 PolarHBondContact O-N 3.5Å
539	D	97.4	Very high	96.6	Very high	34 Å²	34	57.3 Å²	57.3	18%	0.182	32%	0.324	C	S	.	.	H	α-helix	trans	-75.3	-27.6	-179.8	-74.4	-25	0	0	0	112.8	A535 F536 G543 K544 F545	A535-D539 WeakPolarHBondContact O-CB 3.48Å; A535-D539 PolarHBondContact O-N 2.97Å; F536-D539 PolarHBondContact O-N 3Å; D539-G543 PolarHBondContact O-N 3.27Å; D539-K544 HydrophobicContact CB-CB 4.45Å; D539-K544 HydrophobicContact CB-CD 4.15Å; D539-K544 PolarHBondContact O-N 3.49Å; D539-K544 WeakPolarHBondContact OD1-CD 3.34Å; D539-K544 WeakPolarHBondContact OD1-CE 3.35Å; D539-K544 IonicContact OD1-NZ 3.49Å; D539-K544 PolarHBondContact OD1-NZ 2.69Å; D539-F545 HydrophobicContact CB-CD2 4.29Å; D539-F545 HydrophobicContact CB-CE2 3.64Å; D539-F545 HydrophobicContact CB-CZ 4.37Å
540	I	95.8	Very high	96.6	Very high	42 Å²	42	60.3 Å²	60.3	22%	0.215	34%	0.339	C	S	.	.	H	α-helix	trans	-62.1	-52.4	163.5	-69	167.1	0	0	0	109.7	F536 A542 G543 F545 Y548 L555	F536-I540 HydrophobicContact CD1-CD1 3.65Å; F536-I540 HydrophobicContact CD1-CG1 3.93Å; F536-I540 HydrophobicContact CE1-CD1 3.77Å; F536-I540 HydrophobicContact CE1-CG1 3.95Å; F536-I540 WeakPolarHBondContact O-CG1 3.48Å; F536-I540 PolarHBondContact O-N 2.99Å; I540-A542 PolarHBondContact O-N 3.41Å; I540-G543 PolarHBondContact O-N 3.25Å; I540-F545 HydrophobicContact CG1-CD2 3.79Å; I540-F545 HydrophobicContact CG1-CE2 4.23Å; I540-Y548 HydrophobicContact CD1-CD2 3.64Å; I540-Y548 HydrophobicContact CD1-CE2 3.64Å; I540-Y548 HydrophobicContact CD1-CG 4.12Å; I540-Y548 HydrophobicContact CG1-CD1 4.09Å; I540-Y548 HydrophobicContact CG1-CD2 4.09Å; I540-Y548 HydrophobicContact CG1-CE1 4.08Å; I540-Y548 HydrophobicContact CG1-CE2 4.09Å; I540-Y548 HydrophobicContact CG1-CG 4.1Å; I540-Y548 HydrophobicContact CG2-CE1 3.96Å; I540-Y548 HydrophobicContact CG2-CE2 4.22Å; I540-L555 HydrophobicContact CD1-CD1 4.49Å
541	A	96	Very high	96.4	Very high	91 Å²	91	64 Å²	64	75%	0.752	36%	0.355	S	S	*	.	H	α-helix	trans	-63.1	-25.7	-178.6	0	0	0	0	0	113.2	E537 N538 G543	E537-A541 PolarHBondContact O-N 3.23Å; N538-A541 PolarHBondContact O-N 3.05Å; A541-G543 VanDerWaalsContact C-N 3.35Å
542	A	95.1	Very high	96.3	Very high	65 Å²	65	68 Å²	68	54%	0.537	37%	0.373	S	S	.	.	T	Hydrogen-bonded Turn	trans	-87.2	5.8	172.7	0	0	0	0	0	114.3	N538 I540 K544	N538-A542 WeakPolarHBondContact O-CB 3.36Å; N538-A542 PolarHBondContact O-N 3.5Å; I540-A542 PolarHBondContact O-N 3.41Å; A542-K544 VanDerWaalsContact C-N 3.3Å; A542-K544 HydrophobicContact CB-CG 4.17Å; A542-K544 PolarHBondContact O-N 3.02Å
543	G	93.7	Very high	96.1	Very high	44 Å²	44	73.1 Å²	73.1	45%	0.454	39%	0.386	S	S	.	.	T	Hydrogen-bonded Turn	trans	68.8	18.9	175.4	0	0	0	0	0	115.6	D539 I540 A541 F545	D539-G543 PolarHBondContact O-N 3.27Å; I540-G543 PolarHBondContact O-N 3.25Å; A541-G543 VanDerWaalsContact C-N 3.35Å; G543-F545 PolarHBondContact O-N 3.13Å
544	K	95.6	Very high	96.1	Very high	84 Å²	84	70.4 Å²	70.4	37%	0.365	38%	0.379	S	S	.	.			trans	-78.9	-16.1	-172.6	-60.7	-174.6	-170	166.3	0	114.7	D539 A542 S559 I560	D539-K544 HydrophobicContact CB-CB 4.45Å; D539-K544 HydrophobicContact CB-CD 4.15Å; D539-K544 PolarHBondContact O-N 3.49Å; D539-K544 WeakPolarHBondContact OD1-CD 3.34Å; D539-K544 WeakPolarHBondContact OD1-CE 3.35Å; D539-K544 IonicContact OD1-NZ 3.49Å; D539-K544 PolarHBondContact OD1-NZ 2.69Å; A542-K544 VanDerWaalsContact C-N 3.3Å; A542-K544 HydrophobicContact CB-CG 4.17Å; A542-K544 PolarHBondContact O-N 3.02Å; K544-S559 CarbonylContact O-C 3.57Å; K544-S559 VanDerWaalsContact O-CA 3.24Å; K544-S559 WeakPolarHBondContact O-CA 3.34Å; K544-S559 WeakPolarHBondContact O-CB 3.43Å; K544-I560 PolarHBondContact O-N 3.1Å
545	F	96.4	Very high	96.1	Very high	9 Å²	9	65.5 Å²	65.5	4%	0.039	36%	0.356	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.1	130.3	-178.4	-72.8	-69.2	0	0	0	112	H513 F536 D539 I540 G543 Y548	H513-F545 HydrophobicContact CB-CE1 3.83Å; H513-F545 HydrophobicContact CB-CZ 3.94Å; H513-F545 AromaticContact CG-CE1 3.91Å; F536-F545 HydrophobicContact CD1-CD2 4.43Å; F536-F545 AromaticContact CD1-CE2 3.7Å; F536-F545 HydrophobicContact CD1-CE2 3.7Å; F536-F545 HydrophobicContact CD1-CZ 4.09Å; F536-F545 HydrophobicContact CD2-CE2 4.46Å; F536-F545 HydrophobicContact CD2-CZ 4.05Å; F536-F545 AromaticContact CE1-CD2 3.98Å; F536-F545 HydrophobicContact CE1-CD2 3.98Å; F536-F545 HydrophobicContact CE1-CE1 4.39Å; F536-F545 AromaticContact CE1-CE2 3.53Å; F536-F545 HydrophobicContact CE1-CE2 3.53Å; F536-F545 AromaticContact CE1-CZ 3.78Å; F536-F545 HydrophobicContact CE1-CZ 3.78Å; F536-F545 HydrophobicContact CE2-CE1 4.21Å; F536-F545 HydrophobicContact CE2-CE2 4.34Å; F536-F545 AromaticContact CE2-CZ 3.76Å; F536-F545 HydrophobicContact CE2-CZ 3.76Å; F536-F545 HydrophobicContact CG-CE2 4.14Å; F536-F545 HydrophobicContact CG-CZ 4.19Å; F536-F545 HydrophobicContact CZ-CD1 4.44Å; F536-F545 HydrophobicContact CZ-CD2 4.43Å; F536-F545 AromaticContact CZ-CE1 3.92Å; F536-F545 HydrophobicContact CZ-CE1 3.92Å; F536-F545 AromaticContact CZ-CE2 3.87Å; F536-F545 HydrophobicContact CZ-CE2 3.87Å; F536-F545 AromaticContact CZ-CZ 3.6Å; F536-F545 HydrophobicContact CZ-CZ 3.6Å; D539-F545 HydrophobicContact CB-CD2 4.29Å; D539-F545 HydrophobicContact CB-CE2 3.64Å; D539-F545 HydrophobicContact CB-CZ 4.37Å; I540-F545 HydrophobicContact CG1-CD2 3.79Å; I540-F545 HydrophobicContact CG1-CE2 4.23Å; G543-F545 PolarHBondContact O-N 3.13Å; F545-Y548 HydrophobicContact CB-CD1 3.74Å; F545-Y548 HydrophobicContact CB-CG 4.48Å; F545-Y548 HydrophobicContact CG-CD1 4.43Å
546	I	96	Very high	96.1	Very high	3 Å²	3	66.1 Å²	66.1	2%	0.015	35%	0.352	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-71.8	-44.9	169.8	-57.7	169.9	0	0	0	109.3	T558 I560 V563 L577 S581 L585 L590	I546-T558 PolarHBondContact N-O 3.48Å; I546-I560 HydrophobicContact CD1-CG1 4.38Å; I546-I560 HydrophobicContact CG1-CB 4.49Å; I546-I560 HydrophobicContact CG1-CG1 3.64Å; I546-V563 HydrophobicContact CD1-CB 4.37Å; I546-V563 HydrophobicContact CD1-CG2 3.58Å; I546-L577 HydrophobicContact CG2-CD1 3.78Å; I546-L577 HydrophobicContact CG2-CD2 4.46Å; I546-S581 WeakPolarHBondContact O-CB 3.31Å; I546-S581 PolarHBondContact O-OG 2.69Å; I546-L585 HydrophobicContact CD1-CD1 4.03Å; I546-L585 HydrophobicContact CG2-CB 3.98Å; I546-L585 HydrophobicContact CG2-CD1 4.04Å; I546-L590 HydrophobicContact CD1-CD1 3.85Å
547	E	95.6	Very high	96	Very high	49 Å²	49	66.5 Å²	66.5	23%	0.229	36%	0.356	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-146.8	140.8	179.2	-173.5	172	89.8	0	0	108.9	G557 T558 L577 H578 S581	E547-G557 CarbonylContact O-C 3.6Å; E547-G557 WeakPolarHBondContact O-CA 3.34Å; E547-T558 PolarHBondContact O-N 2.8Å; E547-L577 HydrophobicContact CB-CD2 3.88Å; E547-H578 WeakPolarHBondContact OE2-CB 3.46Å; E547-H578 PolarHBondContact OE2-N 3.12Å; E547-S581 WeakPolarHBondContact CB-OG 3.28Å
548	Y	96.1	Very high	96	Very high	119 Å²	119	64 Å²	64	47%	0.467	35%	0.346	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-148.5	157.9	172.9	61.8	-88.5	0	0	0	110.6	F536 I540 F545 Y556	F536-Y548 HydrophobicContact CE1-CG 4.42Å; I540-Y548 HydrophobicContact CD1-CD2 3.64Å; I540-Y548 HydrophobicContact CD1-CE2 3.64Å; I540-Y548 HydrophobicContact CD1-CG 4.12Å; I540-Y548 HydrophobicContact CG1-CD1 4.09Å; I540-Y548 HydrophobicContact CG1-CD2 4.09Å; I540-Y548 HydrophobicContact CG1-CE1 4.08Å; I540-Y548 HydrophobicContact CG1-CE2 4.09Å; I540-Y548 HydrophobicContact CG1-CG 4.1Å; I540-Y548 HydrophobicContact CG2-CE1 3.96Å; I540-Y548 HydrophobicContact CG2-CE2 4.22Å; F545-Y548 HydrophobicContact CB-CD1 3.74Å; F545-Y548 HydrophobicContact CB-CG 4.48Å; F545-Y548 HydrophobicContact CG-CD1 4.43Å; Y548-Y556 CarbonylContact C-O 3.58Å; Y548-Y556 WeakPolarHBondContact CA-O 3.38Å
549	G	94.9	Very high	96	Very high	37 Å²	37	60.1 Å²	60.1	38%	0.381	33%	0.326	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-164	169.4	177.9	0	0	0	0	0	112.3	L555 Y556	G549-L555 WeakPolarHBondContact O-CA 3.16Å; G549-Y556 PolarHBondContact N-O 2.96Å; G549-Y556 PolarHBondContact O-N 2.85Å
550	E	95.9	Very high	95.9	Very high	117 Å²	117	59.7 Å²	59.7	55%	0.547	32%	0.323	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.6	128.4	178.2	-172.6	164.2	-151.4	0	0	111.3	R533 K553 N554 L555	R533-E550 IonicContact CZ-OE1 3.72Å; R533-E550 IonicContact NH2-OE1 3.52Å; R533-E550 PolarHBondContact NH2-OE1 2.9Å; E550-K553 WeakPolarHBondContact OE1-CA 3.38Å; E550-N554 WeakPolarHBondContact CA-O 3.31Å; E550-L555 HydrophobicContact CB-CD2 3.84Å; E550-L555 HydrophobicContact CG-CD2 4.07Å
551	F	94.2	Very high	96	Very high	127 Å²	127	61.8 Å²	61.8	56%	0.557	34%	0.335	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-136.8	133.1	174.8	-178.1	-99.2	0	0	0	109.5	K553 N554 Y556	F551-K553 PolarHBondContact O-N 3.39Å; F551-K553 VanDerWaalsContact O-N 3.16Å; F551-N554 PolarHBondContact N-O 2.99Å; F551-N554 PolarHBondContact O-N 3.06Å; F551-Y556 HydrophobicContact CB-CD2 4Å; F551-Y556 HydrophobicContact CB-CE2 3.97Å; F551-Y556 HydrophobicContact CD1-CE2 4.33Å
552	E	94.6	Very high	96	Very high	129 Å²	129	57.7 Å²	57.7	60%	0.603	30%	0.301	S	S	*	.	T	Hydrogen-bonded Turn	trans	48.6	40.7	-175.4	-67.8	177.7	165.3	0	0	113.5	N554	E552-N554 PolarHBondContact O-N 3.14Å; E552-N554 PolarHBondContact O-ND2 3.41Å
553	K	95.1	Very high	96.2	Very high	177 Å²	177	54.6 Å²	54.6	77%	0.77	28%	0.275	S	S	*	.	T	Hydrogen-bonded Turn	trans	63.6	12.4	-176.6	-51.4	179.3	-178.9	178.8	0	115.7	R533 E550 F551	R533-K553 PolarHBondContact NH2-O 2.68Å; E550-K553 WeakPolarHBondContact OE1-CA 3.38Å; F551-K553 PolarHBondContact O-N 3.39Å; F551-K553 VanDerWaalsContact O-N 3.16Å
554	N	97.1	Very high	96.3	Very high	39 Å²	39	55.6 Å²	55.6	21%	0.209	27%	0.265	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.2	139.8	176.7	-69	-83.8	0	0	0	109.6	T515 R516 E550 F551 E552 Y556	T515-N554 WeakPolarHBondContact OG1-CA 3.24Å; R516-N554 WeakPolarHBondContact CA-OD1 3.4Å; R516-N554 HydrophobicContact CB-CB 4.1Å; R516-N554 PolarHBondContact N-OD1 3.05Å; E550-N554 WeakPolarHBondContact CA-O 3.31Å; F551-N554 PolarHBondContact N-O 2.99Å; F551-N554 PolarHBondContact O-N 3.06Å; E552-N554 PolarHBondContact O-N 3.14Å; E552-N554 PolarHBondContact O-ND2 3.41Å; N554-Y556 HydrophobicContact CB-CE2 3.82Å; N554-Y556 WeakPolarHBondContact O-CD2 3.28Å
555	L	97.4	Very high	96.4	Very high	14 Å²	14	57.3 Å²	57.3	7%	0.073	28%	0.275	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.2	144.9	173.5	-49.5	177.8	0	0	0	109.5	T514 T515 R533 F536 E537 I540 G549 E550	T514-L555 VanDerWaalsContact CA-O 3.24Å; T514-L555 WeakPolarHBondContact CA-O 3.27Å; T514-L555 PolarHBondContact OG1-O 2.8Å; T514-L555 VanDerWaalsContact OG1-O 3.07Å; T515-L555 HydrophobicContact CG2-CB 3.78Å; T515-L555 HydrophobicContact CG2-CD1 4.28Å; T515-L555 HydrophobicContact CG2-CG 4.13Å; T515-L555 PolarHBondContact N-O 3.18Å; T515-L555 PolarHBondContact OG1-N 3.28Å; R533-L555 HydrophobicContact CG-CD1 4.35Å; F536-L555 HydrophobicContact CB-CD1 4.27Å; F536-L555 HydrophobicContact CD1-CB 3.88Å; F536-L555 HydrophobicContact CD1-CD1 3.64Å; F536-L555 HydrophobicContact CD1-CG 4.42Å; F536-L555 HydrophobicContact CD2-CB 4.02Å; F536-L555 HydrophobicContact CE1-CB 3.86Å; F536-L555 HydrophobicContact CE1-CD1 4.23Å; F536-L555 HydrophobicContact CE2-CB 3.97Å; F536-L555 HydrophobicContact CG-CB 4Å; F536-L555 HydrophobicContact CG-CD1 4.01Å; F536-L555 HydrophobicContact CZ-CB 3.91Å; E537-L555 HydrophobicContact CG-CD1 4.1Å; I540-L555 HydrophobicContact CD1-CD1 4.49Å; G549-L555 WeakPolarHBondContact O-CA 3.16Å; E550-L555 HydrophobicContact CB-CD2 3.84Å; E550-L555 HydrophobicContact CG-CD2 4.07Å
556	Y	97.7	Very high	96.4	Very high	44 Å²	44	57.6 Å²	57.6	17%	0.173	28%	0.277	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.4	145.3	174.2	-66	-91.5	0	0	0	108.6	H513 T514 R516 Y528 F536 Y548 G549 F551 N554	H513-Y556 WeakPolarHBondContact O-CA 3.41Å; T514-Y556 HydrophobicContact CG2-CE1 4.4Å; T514-Y556 VanDerWaalsContact OG1-CD1 3.29Å; T514-Y556 WeakPolarHBondContact OG1-CD1 3.42Å; T514-Y556 WeakPolarHBondContact OG1-CE1 3.48Å; R516-Y556 WeakPolarHBondContact CD-OH 3.45Å; R516-Y556 PolarHBondContact NE-OH 3.03Å; R516-Y556 VanDerWaalsContact NE-OH 3.12Å; Y528-Y556 HydrophobicContact CD1-CD1 4.33Å; Y528-Y556 HydrophobicContact CD1-CE1 4.49Å; Y528-Y556 AromaticContact CE1-CD1 3.69Å; Y528-Y556 HydrophobicContact CE1-CD1 3.69Å; Y528-Y556 AromaticContact CE1-CE1 3.82Å; Y528-Y556 HydrophobicContact CE1-CE1 3.82Å; F536-Y556 VanDerWaalsContact CZ-C 3.5Å; Y548-Y556 CarbonylContact C-O 3.58Å; Y548-Y556 WeakPolarHBondContact CA-O 3.38Å; G549-Y556 PolarHBondContact N-O 2.96Å; G549-Y556 PolarHBondContact O-N 2.85Å; F551-Y556 HydrophobicContact CB-CD2 4Å; F551-Y556 HydrophobicContact CB-CE2 3.97Å; F551-Y556 HydrophobicContact CD1-CE2 4.33Å; N554-Y556 HydrophobicContact CB-CE2 3.82Å; N554-Y556 WeakPolarHBondContact O-CD2 3.28Å
557	G	96.6	Very high	96.4	Very high	8 Å²	8	57.5 Å²	57.5	8%	0.082	28%	0.277	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-174.6	159.5	177.8	0	0	0	0	0	115	P512 H513 E547	P512-G557 CarbonylContact C-O 3.49Å; P512-G557 WeakPolarHBondContact CA-O 3.36Å; H513-G557 PolarHBondContact N-O 3.31Å; H513-G557 PolarHBondContact O-N 2.98Å; H513-G557 VanDerWaalsContact O-N 3.14Å; E547-G557 CarbonylContact O-C 3.6Å; E547-G557 WeakPolarHBondContact O-CA 3.34Å
558	T	97.2	Very high	96.4	Very high	24 Å²	24	60.5 Å²	60.5	15%	0.147	29%	0.294	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.1	116.7	-178.7	-57.1	0	0	0	0	109.1	A510 I546 E547 V563 L575	A510-T558 HydrophobicContact CB-CG2 4.02Å; I546-T558 PolarHBondContact N-O 3.48Å; E547-T558 PolarHBondContact O-N 2.8Å; T558-V563 HydrophobicContact CG2-CG2 3.93Å; T558-L575 HydrophobicContact CG2-CD2 4.17Å
559	S	96.9	Very high	96.4	Very high	6 Å²	6	58.5 Å²	58.5	4%	0.042	30%	0.297	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.6	155.2	179.4	77.1	0	0	0	0	111.9	H513 K544 D561 S562 V563	H513-S559 PolarHBondContact CE1-OG 2.67Å; K544-S559 CarbonylContact O-C 3.57Å; K544-S559 VanDerWaalsContact O-CA 3.24Å; K544-S559 WeakPolarHBondContact O-CA 3.34Å; K544-S559 WeakPolarHBondContact O-CB 3.43Å; S559-D561 PolarHBondContact O-N 2.95Å; S559-S562 PolarHBondContact O-N 2.77Å; S559-S562 PolarHBondContact OG-N 3.1Å; S559-S562 PolarHBondContact OG-OG 2.89Å; S559-S562 VanDerWaalsContact OG-OG 3.08Å; S559-V563 PolarHBondContact O-N 2.83Å
560	I	96.9	Very high	96.3	Very high	26 Å²	26	58 Å²	58	13%	0.133	29%	0.293	C	S	.	.	H	α-helix	trans	-57.3	-39.5	173.4	-62.2	170	0	0	0	109.8	K544 I546 V563 R564 L590	K544-I560 PolarHBondContact O-N 3.1Å; I546-I560 HydrophobicContact CD1-CG1 4.38Å; I546-I560 HydrophobicContact CG1-CB 4.49Å; I546-I560 HydrophobicContact CG1-CG1 3.64Å; I560-V563 PolarHBondContact O-N 3.18Å; I560-R564 VanDerWaalsContact CG2-NH2 3.3Å; I560-R564 PolarHBondContact O-N 2.87Å; I560-L590 HydrophobicContact CG2-CD1 3.95Å; I560-L590 HydrophobicContact CG2-CD2 4.23Å; I560-L590 HydrophobicContact CG2-CG 4.13Å
561	D	96.4	Very high	96.3	Very high	86 Å²	86	55.5 Å²	55.5	46%	0.46	28%	0.28	S	S	.	.	H	α-helix	trans	-68.5	-38.6	-179.9	-59.4	-33.4	0	0	0	112.6	S559 V563 R564 Q565	S559-D561 PolarHBondContact O-N 2.95Å; D561-V563 PolarHBondContact O-N 3.26Å; D561-R564 PolarHBondContact O-N 3.04Å; D561-R564 IonicContact OD1-CZ 2.67Å; D561-R564 IonicContact OD1-NH1 3.13Å; D561-R564 PolarHBondContact OD1-NH1 2.97Å; D561-Q565 WeakPolarHBondContact O-CB 3.22Å; D561-Q565 PolarHBondContact O-N 3.27Å
562	S	97.4	Very high	96.5	Very high	5 Å²	5	49.7 Å²	49.7	4%	0.035	26%	0.255	C	S	.	.	H	α-helix	trans	-59.7	-34.9	173.8	-66.5	0	0	0	0	112.4	V511 H513 S559	V511-S562 VanDerWaalsContact O-CB 3.24Å; V511-S562 WeakPolarHBondContact O-CB 3.33Å; V511-S562 PolarHBondContact O-OG 2.93Å; H513-S562 PolarHBondContact CE1-OG 3.5Å; S559-S562 PolarHBondContact O-N 2.77Å; S559-S562 PolarHBondContact OG-N 3.1Å; S559-S562 PolarHBondContact OG-OG 2.89Å; S559-S562 VanDerWaalsContact OG-OG 3.08Å
563	V	97.8	Very high	96.6	Very high	0 Å²	0	43.6 Å²	43.6	0%	0	23%	0.226	C	C	.	.	H	α-helix	trans	-75.8	-43.5	175.1	-178.1	0	0	0	0	110.8	P481 A510 I546 T558 S559 I560 D561 Q565 V566 I567 C573 L575 L590	P481-V563 HydrophobicContact CB-CG1 4.1Å; P481-V563 HydrophobicContact CG-CG1 3.59Å; A510-V563 HydrophobicContact CB-CG2 3.83Å; I546-V563 HydrophobicContact CD1-CB 4.37Å; I546-V563 HydrophobicContact CD1-CG2 3.58Å; T558-V563 HydrophobicContact CG2-CG2 3.93Å; S559-V563 PolarHBondContact O-N 2.83Å; I560-V563 PolarHBondContact O-N 3.18Å; D561-V563 PolarHBondContact O-N 3.26Å; V563-Q565 VanDerWaalsContact C-N 3.26Å; V563-Q565 PolarHBondContact O-N 2.96Å; V563-V566 PolarHBondContact O-N 2.9Å; V563-V566 VanDerWaalsContact O-N 3.1Å; V563-I567 HydrophobicContact CG1-CD1 4.23Å; V563-I567 WeakPolarHBondContact O-CG1 3.32Å; V563-I567 PolarHBondContact O-N 3.11Å; V563-C573 HydrophobicContact CG1-CB 4.28Å; V563-L575 HydrophobicContact CG1-CD1 4.16Å; V563-L575 HydrophobicContact CG2-CD1 3.75Å; V563-L575 HydrophobicContact CG2-CD2 4.18Å; V563-L590 HydrophobicContact CB-CD1 3.93Å; V563-L590 HydrophobicContact CB-CD2 4.31Å; V563-L590 HydrophobicContact CG1-CD1 3.89Å; V563-L590 HydrophobicContact CG1-CD2 4.17Å
564	R	96.7	Very high	96.8	Very high	65 Å²	65	35.3 Å²	35.3	25%	0.245	19%	0.191	C	C	.	.	H	α-helix	trans	-62.1	-33.8	178	-155.6	-178.2	-63.2	102.1	-6	112.2	I560 D561 V566 I567 N568 D589 L590	I560-R564 VanDerWaalsContact CG2-NH2 3.3Å; I560-R564 PolarHBondContact O-N 2.87Å; D561-R564 PolarHBondContact O-N 3.04Å; D561-R564 IonicContact OD1-CZ 2.67Å; D561-R564 IonicContact OD1-NH1 3.13Å; D561-R564 PolarHBondContact OD1-NH1 2.97Å; R564-V566 PolarHBondContact O-N 2.82Å; R564-I567 PolarHBondContact O-N 3.33Å; R564-N568 VanDerWaalsContact O-CB 3.31Å; R564-N568 WeakPolarHBondContact O-CB 3.13Å; R564-N568 PolarHBondContact O-N 3.41Å; R564-N568 PolarHBondContact O-OD1 2.95Å; R564-D589 IonicContact CZ-OD1 2.73Å; R564-D589 VanDerWaalsContact CZ-OD1 3.26Å; R564-D589 IonicContact NE-OD1 3.47Å; R564-D589 PolarHBondContact NE-OD1 2.83Å; R564-D589 IonicContact NE-OD2 3.77Å; R564-D589 IonicContact NH2-OD1 3.91Å; R564-D589 PolarHBondContact NH2-OD1 3.41Å; R564-L590 HydrophobicContact CB-CD2 3.88Å; R564-L590 HydrophobicContact CG-CD2 4.25Å
565	Q	96.6	Very high	96.7	Very high	120 Å²	120	34 Å²	34	56%	0.561	18%	0.183	S	C	*	.	H	α-helix	trans	-60.6	-42.1	173.2	-175.6	177	-10.7	0	0	112.3	D561 V563 N568 S569	D561-Q565 WeakPolarHBondContact O-CB 3.22Å; D561-Q565 PolarHBondContact O-N 3.27Å; V563-Q565 VanDerWaalsContact C-N 3.26Å; V563-Q565 PolarHBondContact O-N 2.96Å; Q565-N568 PolarHBondContact O-N 3.3Å; Q565-S569 PolarHBondContact O-N 3.41Å
566	V	97.1	Very high	96.5	Very high	14 Å²	14	35 Å²	35	9%	0.085	19%	0.189	C	C	.	.	H	α-helix	trans	-67.4	-47.2	176.4	177.8	0	0	0	0	111.2	A508 A510 V563 R564 N568 S569 K571 C573	A508-V566 HydrophobicContact CB-CG1 3.74Å; A508-V566 HydrophobicContact CB-CG2 4.46Å; A510-V566 HydrophobicContact CB-CG2 4.47Å; V563-V566 PolarHBondContact O-N 2.9Å; V563-V566 VanDerWaalsContact O-N 3.1Å; R564-V566 PolarHBondContact O-N 2.82Å; V566-N568 VanDerWaalsContact C-N 3.28Å; V566-N568 PolarHBondContact O-N 3.24Å; V566-S569 PolarHBondContact O-N 3.41Å; V566-S569 PolarHBondContact O-OG 3.47Å; V566-K571 HydrophobicContact CG1-CB 4.17Å; V566-C573 HydrophobicContact CB-CB 3.93Å; V566-C573 HydrophobicContact CG1-CB 3.58Å
567	I	96.3	Very high	96.3	Very high	2 Å²	2	33.4 Å²	33.4	1%	0.01	18%	0.183	C	C	.	.	H	α-helix	trans	-52.3	-47.8	174.1	-65	169.7	0	0	0	110.8	R478 P481 V563 R564 S569 G570 L590	R478-I567 HydrophobicContact CB-CG2 4.45Å; R478-I567 HydrophobicContact CG-CG2 3.37Å; P481-I567 HydrophobicContact CG-CD1 3.62Å; P481-I567 HydrophobicContact CG-CG1 3.93Å; V563-I567 HydrophobicContact CG1-CD1 4.23Å; V563-I567 WeakPolarHBondContact O-CG1 3.32Å; V563-I567 PolarHBondContact O-N 3.11Å; R564-I567 PolarHBondContact O-N 3.33Å; I567-S569 PolarHBondContact O-N 2.82Å; I567-G570 PolarHBondContact O-N 3.32Å; I567-L590 HydrophobicContact CD1-CB 4.27Å; I567-L590 HydrophobicContact CD1-CD2 3.67Å
568	N	95.8	Very high	96	Very high	111 Å²	111	37.4 Å²	37.4	59%	0.594	20%	0.2	S	C	*	.	H	α-helix	trans	-68.9	-14.1	-177.8	-70.9	-4.6	0	0	0	113.6	R564 Q565 V566 G570	R564-N568 VanDerWaalsContact O-CB 3.31Å; R564-N568 WeakPolarHBondContact O-CB 3.13Å; R564-N568 PolarHBondContact O-N 3.41Å; R564-N568 PolarHBondContact O-OD1 2.95Å; Q565-N568 PolarHBondContact O-N 3.3Å; V566-N568 VanDerWaalsContact C-N 3.28Å; V566-N568 PolarHBondContact O-N 3.24Å; N568-G570 VanDerWaalsContact C-N 3.32Å
569	S	94.9	Very high	95.7	Very high	77 Å²	77	36.8 Å²	36.8	54%	0.538	20%	0.196	S	C	.	.	T	Hydrogen-bonded Turn	trans	-87.1	4.2	171	73.7	0	0	0	0	114	Q565 V566 I567 K571	Q565-S569 PolarHBondContact O-N 3.41Å; V566-S569 PolarHBondContact O-N 3.41Å; V566-S569 PolarHBondContact O-OG 3.47Å; I567-S569 PolarHBondContact O-N 2.82Å; S569-K571 PolarHBondContact O-N 3.28Å
570	G	94.2	Very high	95.3	Very high	28 Å²	28	42.7 Å²	42.7	29%	0.289	22%	0.223	S	C	.	.	T	Hydrogen-bonded Turn	trans	74.5	-1.4	-177.7	0	0	0	0	0	115	K479 I567 N568	K479-G570 VanDerWaalsContact CG-O 3.31Å; K479-G570 WeakPolarHBondContact CG-O 3.5Å; I567-G570 PolarHBondContact O-N 3.32Å; N568-G570 VanDerWaalsContact C-N 3.32Å
571	K	95.9	Very high	95.1	Very high	63 Å²	63	41.9 Å²	41.9	27%	0.274	22%	0.219	S	C	.	.			trans	-86.3	152.5	178	-70.1	-157.4	174.8	-155.2	0	112.6	V504 D505 A508 V566 S569 C573	V504-K571 PolarHBondContact O-NZ 2.79Å; D505-K571 WeakPolarHBondContact O-CE 3.25Å; D505-K571 PolarHBondContact O-NZ 2.88Å; D505-K571 VanDerWaalsContact O-NZ 3.17Å; A508-K571 HydrophobicContact CB-CB 4.23Å; A508-K571 HydrophobicContact CB-CD 3.95Å; V566-K571 HydrophobicContact CG1-CB 4.17Å; S569-K571 PolarHBondContact O-N 3.28Å; K571-C573 PolarHBondContact O-N 3.46Å
572	I	97.6	Very high	94.9	Very high	6 Å²	6	37.8 Å²	37.8	3%	0.031	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-77.6	114.6	173.7	-56	167.6	0	0	0	108.5	K479 I482 R506 F507 A508 L574 I659	K479-I572 HydrophobicContact CB-CB 4.49Å; K479-I572 HydrophobicContact CB-CG1 3.85Å; K479-I572 HydrophobicContact CD-CG1 4.31Å; K479-I572 HydrophobicContact CG-CG1 3.87Å; I482-I572 HydrophobicContact CD1-CG2 4.28Å; I482-I572 HydrophobicContact CG1-CG2 3.49Å; I482-I572 VanDerWaalsContact CG1-CG2 3.49Å; R506-I572 PolarHBondContact O-N 3.49Å; F507-I572 WeakPolarHBondContact CA-O 3.49Å; F507-I572 HydrophobicContact CD1-CB 3.65Å; F507-I572 HydrophobicContact CD1-CD1 4.25Å; F507-I572 HydrophobicContact CD1-CG2 3.76Å; F507-I572 HydrophobicContact CE1-CB 3.87Å; F507-I572 HydrophobicContact CE1-CD1 3.74Å; F507-I572 HydrophobicContact CE1-CG1 4.42Å; F507-I572 HydrophobicContact CE1-CG2 3.71Å; F507-I572 HydrophobicContact CZ-CD1 4.27Å; A508-I572 PolarHBondContact N-O 3.49Å; I572-L574 HydrophobicContact CG2-CD2 4.32Å; I572-L574 PolarHBondContact O-N 2.9Å; I572-I659 HydrophobicContact CD1-CG2 3.84Å
573	C	97.8	Very high	94.5	Very high	0 Å²	0	42.9 Å²	42.9	0%	0	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-76.8	121.3	176.1	-170.6	0	0	0	0	110.6	P481 I482 A508 V563 V566 K571	P481-C573 CarbonylContact C-O 3.5Å; P481-C573 VanDerWaalsContact CA-O 3.31Å; P481-C573 WeakPolarHBondContact CA-O 3.4Å; P481-C573 HydrophobicContact CB-CB 4.1Å; P481-C573 HydrophobicContact CG-CB 4.4Å; I482-C573 PolarHBondContact N-O 2.94Å; A508-C573 CarbonylContact O-C 3.51Å; A508-C573 WeakPolarHBondContact O-CA 3.47Å; V563-C573 HydrophobicContact CG1-CB 4.28Å; V566-C573 HydrophobicContact CB-CB 3.93Å; V566-C573 HydrophobicContact CG1-CB 3.58Å; K571-C573 PolarHBondContact O-N 3.46Å
574	L	97.6	Very high	94.2	Very high	4 Å²	4	45.6 Å²	45.6	2%	0.021	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.1	125.8	173.3	-61.8	-174.1	0	0	0	111	I482 R496 L499 M500 F507 A508 I572	I482-L574 HydrophobicContact CB-CD2 3.77Å; I482-L574 HydrophobicContact CG1-CD2 4.09Å; I482-L574 HydrophobicContact CG2-CD2 4.48Å; R496-L574 HydrophobicContact CG-CB 4.05Å; R496-L574 HydrophobicContact CG-CD1 4.17Å; L499-L574 HydrophobicContact CB-CD1 3.61Å; L499-L574 HydrophobicContact CD1-CD1 3.99Å; L499-L574 HydrophobicContact CD1-CD2 4.32Å; L499-L574 HydrophobicContact CG-CD1 4.47Å; M500-L574 HydrophobicContact CG-CD1 4.06Å; M500-L574 HydrophobicContact SD-CD1 4.06Å; F507-L574 HydrophobicContact CB-CD1 3.89Å; F507-L574 HydrophobicContact CB-CG 4.15Å; F507-L574 HydrophobicContact CD1-CD1 3.65Å; F507-L574 HydrophobicContact CD1-CD2 3.54Å; F507-L574 HydrophobicContact CD1-CG 3.55Å; F507-L574 HydrophobicContact CE1-CD1 4.34Å; F507-L574 HydrophobicContact CE1-CD2 3.79Å; F507-L574 HydrophobicContact CE1-CG 4.29Å; F507-L574 HydrophobicContact CG-CD1 3.77Å; F507-L574 HydrophobicContact CG-CD2 4.47Å; F507-L574 HydrophobicContact CG-CG 4.09Å; A508-L574 PolarHBondContact O-N 3.13Å; I572-L574 HydrophobicContact CG2-CD2 4.32Å; I572-L574 PolarHBondContact O-N 2.9Å
575	L	95.4	Very high	94.1	Very high	11 Å²	11	42.5 Å²	42.5	6%	0.058	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.7	141.2	178.8	-59	172.6	0	0	0	110	P481 I482 V483 L484 A510 T558 V563 L577	P481-L575 HydrophobicContact CB-CD1 4.41Å; I482-L575 PolarHBondContact O-N 3.02Å; V483-L575 WeakPolarHBondContact CA-O 3.43Å; V483-L575 HydrophobicContact CG2-CB 4.3Å; V483-L575 HydrophobicContact CG2-CD1 4.21Å; L484-L575 PolarHBondContact N-O 3.34Å; A510-L575 HydrophobicContact CB-CD2 4.03Å; T558-L575 HydrophobicContact CG2-CD2 4.17Å; V563-L575 HydrophobicContact CG1-CD1 4.16Å; V563-L575 HydrophobicContact CG2-CD1 3.75Å; V563-L575 HydrophobicContact CG2-CD2 4.18Å; L575-L577 HydrophobicContact CB-CG 4.32Å
576	N	94.3	Very high	93.8	Very high	34 Å²	34	37.8 Å²	37.8	18%	0.182	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.7	126.4	163	-66.1	5.8	0	0	0	106	L484 Q492 N493 R496	L484-N576 WeakPolarHBondContact O-CA 3.47Å; Q492-N576 PolarHBondContact O-ND2 3.27Å; N493-N576 PolarHBondContact OD1-ND2 3.09Å; R496-N576 WeakPolarHBondContact CD-OD1 3.33Å; R496-N576 PolarHBondContact NE-ND2 3.49Å
577	L	92.7	Very high	93.5	Very high	12 Å²	12	43.5 Å²	43.5	6%	0.063	23%	0.231	C	C	.	.			trans	-134.8	160.4	-175.3	-64.7	178.6	0	0	0	111.7	V483 L484 I485 I546 E547 L575 L585	V483-L577 HydrophobicContact CG1-CB 4.23Å; V483-L577 HydrophobicContact CG1-CD1 3.76Å; V483-L577 HydrophobicContact CG1-CG 4.11Å; L484-L577 PolarHBondContact O-N 3.48Å; L484-L577 VanDerWaalsContact O-N 3.12Å; I485-L577 HydrophobicContact CG2-CB 4.49Å; I485-L577 WeakPolarHBondContact CG2-O 3.28Å; I546-L577 HydrophobicContact CG2-CD1 3.78Å; I546-L577 HydrophobicContact CG2-CD2 4.46Å; E547-L577 HydrophobicContact CB-CD2 3.88Å; L575-L577 HydrophobicContact CB-CG 4.32Å; L577-L585 HydrophobicContact CD1-CD2 4.13Å
578	H	91.3	Very high	93.2	Very high	92 Å²	92	44.2 Å²	44.2	43%	0.426	24%	0.236	S	C	.	.			trans	-82.3	150.9	166.8	-161	-116.8	0	0	0	111	E547 Q580 S581	E547-H578 WeakPolarHBondContact OE2-CB 3.46Å; E547-H578 PolarHBondContact OE2-N 3.12Å; H578-Q580 HydrophobicContact CB-CG 4.12Å; H578-Q580 PolarHBondContact ND1-OE1 2.76Å; H578-Q580 PolarHBondContact O-N 3.41Å; H578-S581 PolarHBondContact O-N 3.1Å
579	T	89.6	Confident	93	Very high	11 Å²	11	41.9 Å²	41.9	7%	0.067	22%	0.224	C	C	.	.	G	3₁₀ helix	trans	-58.6	-32.4	-177.4	33.6	0	0	0	0	113.4	I485 S581 L582 M631 N635 F639	I485-T579 HydrophobicContact CD1-CG2 4.41Å; T579-S581 PolarHBondContact O-N 3.18Å; T579-S581 VanDerWaalsContact O-N 3.14Å; T579-L582 HydrophobicContact CG2-CD1 3.99Å; T579-L582 VanDerWaalsContact O-CB 3.31Å; T579-L582 WeakPolarHBondContact O-CB 3.36Å; T579-L582 VanDerWaalsContact O-CG 3.31Å; T579-L582 WeakPolarHBondContact O-CG 3.43Å; T579-L582 PolarHBondContact O-N 2.98Å; T579-L582 VanDerWaalsContact O-N 3.08Å; T579-M631 HydrophobicContact CG2-CB 4.38Å; T579-M631 HydrophobicContact CG2-CE 3.44Å; T579-M631 VanDerWaalsContact CG2-CE 3.44Å; T579-M631 HydrophobicContact CG2-CG 4.25Å; T579-N635 HydrophobicContact CG2-CB 4.02Å; T579-F639 HydrophobicContact CG2-CE1 4.42Å; T579-F639 HydrophobicContact CG2-CZ 4.41Å
580	Q	88.8	Confident	93	Very high	130 Å²	130	38.4 Å²	38.4	61%	0.607	20%	0.199	S	C	*	.	G	3₁₀ helix	trans	-54.3	-31.6	175.8	75.5	-160.4	12.9	0	0	113.6	H578 L582	H578-Q580 HydrophobicContact CB-CG 4.12Å; H578-Q580 PolarHBondContact ND1-OE1 2.76Å; H578-Q580 PolarHBondContact O-N 3.41Å; Q580-L582 VanDerWaalsContact C-N 3.34Å
581	S	92.4	Very high	93.1	Very high	8 Å²	8	38.4 Å²	38.4	6%	0.056	19%	0.191	C	C	.	.	G	3₁₀ helix	trans	-84.8	-6.5	-176.7	-79.4	0	0	0	0	113.6	I546 E547 H578 T579 K583 T584 L585	I546-S581 WeakPolarHBondContact O-CB 3.31Å; I546-S581 PolarHBondContact O-OG 2.69Å; E547-S581 WeakPolarHBondContact CB-OG 3.28Å; H578-S581 PolarHBondContact O-N 3.1Å; T579-S581 PolarHBondContact O-N 3.18Å; T579-S581 VanDerWaalsContact O-N 3.14Å; S581-K583 VanDerWaalsContact C-N 3.32Å; S581-K583 PolarHBondContact O-N 2.85Å; S581-T584 PolarHBondContact O-N 3.14Å; S581-L585 VanDerWaalsContact O-CB 3.32Å; S581-L585 WeakPolarHBondContact O-CB 3.32Å; S581-L585 PolarHBondContact O-N 2.8Å
582	L	91.9	Very high	93.2	Very high	0 Å²	0	35.4 Å²	35.4	0%	0	18%	0.178	C	C	.	.	H	α-helix	trans	-65.1	-32.7	180	-65.3	175.5	0	0	0	112.9	V483 I485 T579 Q580 L585 R586 I594 N635 Y638 F639	V483-L582 HydrophobicContact CG1-CD2 4.5Å; I485-L582 HydrophobicContact CD1-CD1 3.81Å; I485-L582 HydrophobicContact CG2-CD2 4.08Å; T579-L582 HydrophobicContact CG2-CD1 3.99Å; T579-L582 VanDerWaalsContact O-CB 3.31Å; T579-L582 WeakPolarHBondContact O-CB 3.36Å; T579-L582 VanDerWaalsContact O-CG 3.31Å; T579-L582 WeakPolarHBondContact O-CG 3.43Å; T579-L582 PolarHBondContact O-N 2.98Å; T579-L582 VanDerWaalsContact O-N 3.08Å; Q580-L582 VanDerWaalsContact C-N 3.34Å; L582-L585 HydrophobicContact CD2-CD2 4.22Å; L582-L585 PolarHBondContact O-N 2.91Å; L582-R586 WeakPolarHBondContact O-CB 3.44Å; L582-R586 WeakPolarHBondContact O-CG 3.45Å; L582-R586 PolarHBondContact O-N 2.99Å; L582-I594 HydrophobicContact CD2-CD1 4.03Å; L582-I594 HydrophobicContact CD2-CG1 4.25Å; L582-I594 HydrophobicContact CD2-CG2 4.02Å; L582-N635 HydrophobicContact CD1-CB 4.44Å; L582-Y638 HydrophobicContact CB-CD2 4.15Å; L582-Y638 HydrophobicContact CD1-CD2 4.39Å; L582-F639 HydrophobicContact CD1-CD1 4.33Å; L582-F639 HydrophobicContact CD1-CE1 3.88Å
583	K	89.3	Confident	93.2	Very high	112 Å²	112	35.3 Å²	35.3	49%	0.487	18%	0.177	S	C	.	.	H	α-helix	trans	-66.4	-50.5	178	-167.2	168.7	-176.7	172	0	111	S581 L585 R586 N587	S581-K583 VanDerWaalsContact C-N 3.32Å; S581-K583 PolarHBondContact O-N 2.85Å; K583-L585 VanDerWaalsContact C-N 3.29Å; K583-L585 PolarHBondContact O-N 2.71Å; K583-R586 PolarHBondContact O-N 3.34Å; K583-N587 WeakPolarHBondContact O-CB 3.4Å; K583-N587 PolarHBondContact O-N 2.97Å; K583-N587 VanDerWaalsContact O-N 3.1Å; K583-N587 PolarHBondContact O-OD1 3.48Å
584	T	91.8	Very high	93.1	Very high	58 Å²	58	35.3 Å²	35.3	36%	0.356	18%	0.177	S	C	.	.	H	α-helix	trans	-57.6	-41.9	173.8	-46.9	0	0	0	0	111.9	S581	S581-T584 PolarHBondContact O-N 3.14Å
585	L	93.9	Very high	93.1	Very high	0 Å²	0	35.1 Å²	35.1	0%	0	18%	0.176	C	C	.	.	H	α-helix	trans	-65.5	-48.6	177.8	179.9	74	0	0	0	112.7	V483 I546 L577 S581 L582 K583 N587 S588 L590 P592 I594	V483-L585 HydrophobicContact CB-CD2 4.44Å; V483-L585 HydrophobicContact CG1-CD2 4.14Å; V483-L585 HydrophobicContact CG2-CD2 3.9Å; I546-L585 HydrophobicContact CD1-CD1 4.03Å; I546-L585 HydrophobicContact CG2-CB 3.98Å; I546-L585 HydrophobicContact CG2-CD1 4.04Å; L577-L585 HydrophobicContact CD1-CD2 4.13Å; S581-L585 VanDerWaalsContact O-CB 3.32Å; S581-L585 WeakPolarHBondContact O-CB 3.32Å; S581-L585 PolarHBondContact O-N 2.8Å; L582-L585 HydrophobicContact CD2-CD2 4.22Å; L582-L585 PolarHBondContact O-N 2.91Å; K583-L585 VanDerWaalsContact C-N 3.29Å; K583-L585 PolarHBondContact O-N 2.71Å; L585-N587 VanDerWaalsContact C-N 3.25Å; L585-N587 PolarHBondContact O-N 2.87Å; L585-S588 WeakPolarHBondContact O-CB 3.41Å; L585-S588 PolarHBondContact O-N 3.07Å; L585-S588 VanDerWaalsContact O-N 3.11Å; L585-S588 PolarHBondContact O-OG 3.38Å; L585-L590 HydrophobicContact CD1-CD1 4.16Å; L585-P592 HydrophobicContact CD1-CB 4.39Å; L585-P592 HydrophobicContact CD1-CG 4.48Å; L585-P592 HydrophobicContact CD2-CB 3.77Å; L585-P592 HydrophobicContact CD2-CG 3.81Å; L585-P592 HydrophobicContact CG-CB 4.13Å; L585-P592 HydrophobicContact CG-CG 3.87Å; L585-I594 HydrophobicContact CD2-CD1 4.47Å; L585-I594 HydrophobicContact CD2-CG1 4.47Å
586	R	91.4	Very high	93.1	Very high	21 Å²	21	34.7 Å²	34.7	8%	0.079	17%	0.174	C	C	.	.	H	α-helix	trans	-68.9	-22.5	-178.7	-74.2	-178.2	64.8	115.3	-12	113.3	E467 L582 K583 S588 I594 Y638 W673	E467-R586 IonicContact OE1-CZ 3.14Å; E467-R586 IonicContact OE1-NH2 2.73Å; E467-R586 PolarHBondContact OE1-NH2 3.36Å; E467-R586 IonicContact OE2-NH2 3.22Å; E467-R586 PolarHBondContact OE2-NH2 2.84Å; L582-R586 WeakPolarHBondContact O-CB 3.44Å; L582-R586 WeakPolarHBondContact O-CG 3.45Å; L582-R586 PolarHBondContact O-N 2.99Å; K583-R586 PolarHBondContact O-N 3.34Å; R586-S588 PolarHBondContact O-N 2.93Å; R586-I594 HydrophobicContact CG-CD1 4.1Å; R586-Y638 PolarHBondContact NH1-O 3.49Å; R586-W673 HydrophobicContact CB-CZ2 4.29Å; R586-W673 HydrophobicContact CG-CZ2 4.12Å; R586-W673 PolarHBondContact O-NE1 2.98Å
587	N	89.7	Confident	93.1	Very high	134 Å²	134	33 Å²	33	72%	0.717	17%	0.165	S	C	*	.	T	Hydrogen-bonded Turn	trans	-78.8	-1.2	172.8	-68.2	0	0	0	0	113.4	K583 L585	K583-N587 WeakPolarHBondContact O-CB 3.4Å; K583-N587 PolarHBondContact O-N 2.97Å; K583-N587 VanDerWaalsContact O-N 3.1Å; K583-N587 PolarHBondContact O-OD1 3.48Å; L585-N587 VanDerWaalsContact C-N 3.25Å; L585-N587 PolarHBondContact O-N 2.87Å
588	S	91.6	Very high	93	Very high	16 Å²	16	32.6 Å²	32.6	11%	0.112	16%	0.163	C	C	.	.	S	Bend	trans	-102.3	160.3	179.4	77.4	0	0	0	0	113	L585 R586 L590	L585-S588 WeakPolarHBondContact O-CB 3.41Å; L585-S588 PolarHBondContact O-N 3.07Å; L585-S588 VanDerWaalsContact O-N 3.11Å; L585-S588 PolarHBondContact O-OG 3.38Å; R586-S588 PolarHBondContact O-N 2.93Å; S588-L590 PolarHBondContact O-N 3.28Å; S588-L590 WeakPolarHBondContact OG-CB 3.39Å; S588-L590 WeakPolarHBondContact OG-CD1 3.47Å; S588-L590 VanDerWaalsContact OG-CG 3.28Å; S588-L590 WeakPolarHBondContact OG-CG 3.22Å
589	D	91.4	Very high	92.8	Very high	62 Å²	62	29 Å²	29	33%	0.332	15%	0.148	S	C	.	.	T	Hydrogen-bonded Turn	trans	-70.4	0.1	178.7	81.9	-65.4	0	0	0	114.6	R478 R564 K591	R478-D589 IonicContact CZ-OD2 2.76Å; R478-D589 PolarHBondContact NH2-O 2.82Å; R478-D589 IonicContact NH2-OD2 2.74Å; R478-D589 PolarHBondContact NH2-OD2 2.83Å; R564-D589 IonicContact CZ-OD1 2.73Å; R564-D589 VanDerWaalsContact CZ-OD1 3.26Å; R564-D589 IonicContact NE-OD1 3.47Å; R564-D589 PolarHBondContact NE-OD1 2.83Å; R564-D589 IonicContact NE-OD2 3.77Å; R564-D589 IonicContact NH2-OD1 3.91Å; R564-D589 PolarHBondContact NH2-OD1 3.41Å; D589-K591 VanDerWaalsContact C-N 3.27Å; D589-K591 PolarHBondContact O-N 3.21Å
590	L	95.3	Very high	92.6	Very high	4 Å²	4	29 Å²	29	2%	0.021	15%	0.148	C	C	.	.	T	Hydrogen-bonded Turn	trans	-69.4	-17.4	-170.3	-60.5	177.3	0	0	0	114.3	P481 I546 I560 V563 R564 I567 L585 S588	P481-L590 WeakPolarHBondContact CD-O 3.4Å; P481-L590 HydrophobicContact CG-CB 4.42Å; I546-L590 HydrophobicContact CD1-CD1 3.85Å; I560-L590 HydrophobicContact CG2-CD1 3.95Å; I560-L590 HydrophobicContact CG2-CD2 4.23Å; I560-L590 HydrophobicContact CG2-CG 4.13Å; V563-L590 HydrophobicContact CB-CD1 3.93Å; V563-L590 HydrophobicContact CB-CD2 4.31Å; V563-L590 HydrophobicContact CG1-CD1 3.89Å; V563-L590 HydrophobicContact CG1-CD2 4.17Å; R564-L590 HydrophobicContact CB-CD2 3.88Å; R564-L590 HydrophobicContact CG-CD2 4.25Å; I567-L590 HydrophobicContact CD1-CB 4.27Å; I567-L590 HydrophobicContact CD1-CD2 3.67Å; L585-L590 HydrophobicContact CD1-CD1 4.16Å; S588-L590 PolarHBondContact O-N 3.28Å; S588-L590 WeakPolarHBondContact OG-CB 3.39Å; S588-L590 WeakPolarHBondContact OG-CD1 3.47Å; S588-L590 VanDerWaalsContact OG-CG 3.28Å; S588-L590 WeakPolarHBondContact OG-CG 3.22Å
591	K	96.1	Very high	92.4	Very high	29 Å²	29	24.9 Å²	24.9	13%	0.126	13%	0.134	C	C	.	.			trans	49.5	52.3	177.8	-64.7	172.6	170	58	0	113.7	Y472 R480 D589 W673	Y472-K591 HydrophobicContact CD2-CD 4.47Å; Y472-K591 HydrophobicContact CE1-CD 4.17Å; Y472-K591 HydrophobicContact CE2-CD 3.85Å; R480-K591 WeakPolarHBondContact CB-O 3.37Å; R480-K591 VanDerWaalsContact CG-O 3.24Å; R480-K591 WeakPolarHBondContact CG-O 3.2Å; R480-K591 PolarHBondContact NE-O 2.92Å; D589-K591 VanDerWaalsContact C-N 3.27Å; D589-K591 PolarHBondContact O-N 3.21Å; K591-W673 HydrophobicContact CB-CE3 3.88Å; K591-W673 HydrophobicContact CB-CZ3 4.13Å; K591-W673 WeakPolarHBondContact CE-O 3.23Å; K591-W673 HydrophobicContact CG-CB 4.26Å; K591-W673 HydrophobicContact CG-CD2 4.16Å; K591-W673 HydrophobicContact CG-CE3 3.76Å; K591-W673 HydrophobicContact CG-CG 4.4Å; K591-W673 HydrophobicContact CG-CZ3 4.5Å; K591-W673 PolarHBondContact NZ-O 2.85Å
592	P	97.1	Very high	91.8	Very high	0 Å²	0	26.9 Å²	26.9	0%	0	14%	0.142	C	C	.	.			trans	-59.1	156.7	-175.7	33	-42.9	0	0	0	112.6	R480 P481 V483 L585 I594 W673	R480-P592 PolarHBondContact NH2-O 2.92Å; P481-P592 CarbonylContact O-C 3.48Å; P481-P592 WeakPolarHBondContact O-CA 3.43Å; V483-P592 HydrophobicContact CG2-CB 3.92Å; L585-P592 HydrophobicContact CD1-CB 4.39Å; L585-P592 HydrophobicContact CD1-CG 4.48Å; L585-P592 HydrophobicContact CD2-CB 3.77Å; L585-P592 HydrophobicContact CD2-CG 3.81Å; L585-P592 HydrophobicContact CG-CB 4.13Å; L585-P592 HydrophobicContact CG-CG 3.87Å; P592-I594 HydrophobicContact CB-CG1 4.16Å; P592-I594 HydrophobicContact CG-CD1 4.11Å; P592-I594 HydrophobicContact CG-CG1 4.25Å; P592-W673 HydrophobicContact CG-CH2 3.87Å; P592-W673 HydrophobicContact CG-CZ2 4.26Å
593	Y	97.4	Very high	91.2	Very high	4 Å²	4	33.7 Å²	33.7	2%	0.016	17%	0.174	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.3	113.3	163.2	-174.6	-104.5	0	0	0	108.2	P481 I482 V483 V595 D640 T641 L662	P481-Y593 PolarHBondContact O-N 2.97Å; I482-Y593 HydrophobicContact CD1-CD1 4.1Å; I482-Y593 HydrophobicContact CD1-CG 4.5Å; V483-Y593 PolarHBondContact N-O 3.24Å; Y593-V595 HydrophobicContact CD1-CG2 3.66Å; Y593-V595 HydrophobicContact CE1-CG2 3.6Å; Y593-D640 HydrophobicContact CD2-CB 3.6Å; Y593-D640 VanDerWaalsContact CD2-CG 3.45Å; Y593-D640 WeakPolarHBondContact CD2-OD1 3.41Å; Y593-D640 HydrophobicContact CE2-CB 3.42Å; Y593-D640 VanDerWaalsContact CE2-CB 3.42Å; Y593-D640 HydrophobicContact CG-CB 4.34Å; Y593-T641 PolarHBondContact OH-OG1 3.22Å; Y593-L662 HydrophobicContact CD1-CD1 4.07Å; Y593-L662 HydrophobicContact CD1-CD2 4.4Å; Y593-L662 HydrophobicContact CD2-CD1 4.45Å; Y593-L662 HydrophobicContact CD2-CD2 3.72Å; Y593-L662 HydrophobicContact CE1-CD2 4.39Å; Y593-L662 HydrophobicContact CE2-CD2 3.72Å; Y593-L662 HydrophobicContact CG-CD1 3.98Å; Y593-L662 HydrophobicContact CG-CD2 4.08Å
594	I	96.6	Very high	90.7	Very high	0 Å²	0	33.6 Å²	33.6	0%	0	17%	0.171	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.2	116	-166.9	-61.7	158.9	0	0	0	109.5	V483 I485 L582 L585 R586 P592 Y638 F639 D640 T641	V483-I594 HydrophobicContact CB-CG1 4.26Å; I485-I594 HydrophobicContact CD1-CG2 3.46Å; I485-I594 VanDerWaalsContact CD1-CG2 3.46Å; I485-I594 HydrophobicContact CG1-CG2 4.05Å; L582-I594 HydrophobicContact CD2-CD1 4.03Å; L582-I594 HydrophobicContact CD2-CG1 4.25Å; L582-I594 HydrophobicContact CD2-CG2 4.02Å; L585-I594 HydrophobicContact CD2-CD1 4.47Å; L585-I594 HydrophobicContact CD2-CG1 4.47Å; R586-I594 HydrophobicContact CG-CD1 4.1Å; P592-I594 HydrophobicContact CB-CG1 4.16Å; P592-I594 HydrophobicContact CG-CD1 4.11Å; P592-I594 HydrophobicContact CG-CG1 4.25Å; I594-Y638 WeakPolarHBondContact CD1-O 3.2Å; I594-F639 HydrophobicContact CG2-CD1 4.14Å; I594-D640 PolarHBondContact N-OD2 2.82Å; I594-D640 PolarHBondContact O-N 3.15Å; I594-T641 PolarHBondContact O-N 3.03Å
595	V	96.3	Very high	90.2	Very high	0 Å²	0	31.2 Å²	31.2	0%	0	16%	0.156	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.9	117.5	-176.8	-170.8	0	0	0	0	110.5	I482 V483 L484 I485 Y593 I597 T641 I643 L655	I482-V595 HydrophobicContact CG2-CG2 4.27Å; V483-V595 PolarHBondContact O-N 3.28Å; L484-V595 HydrophobicContact CD2-CB 4.1Å; I485-V595 PolarHBondContact N-O 3.13Å; I485-V595 VanDerWaalsContact N-O 3.11Å; Y593-V595 HydrophobicContact CD1-CG2 3.66Å; Y593-V595 HydrophobicContact CE1-CG2 3.6Å; V595-I597 HydrophobicContact CG1-CD1 3.96Å; V595-T641 WeakPolarHBondContact CA-O 3.26Å; V595-I643 HydrophobicContact CG1-CD1 3.69Å; V595-I643 HydrophobicContact CG1-CG1 3.88Å; V595-L655 HydrophobicContact CB-CD1 4.48Å; V595-L655 HydrophobicContact CG1-CD1 4.19Å; V595-L655 HydrophobicContact CG2-CD1 4.26Å
596	F	95.4	Very high	89.5	Confident	1 Å²	1	35.7 Å²	35.7	0%	0.004	17%	0.173	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.1	116.3	177.8	-177.9	-108.1	0	0	0	111.5	I485 A598 T628 M631 E632 F639 T641 A642 I643	I485-F596 HydrophobicContact CD1-CB 4.39Å; I485-F596 HydrophobicContact CD1-CD2 4.18Å; I485-F596 HydrophobicContact CG1-CB 4.22Å; I485-F596 HydrophobicContact CG1-CD2 4.07Å; F596-A598 HydrophobicContact CD1-CB 4.11Å; F596-A598 HydrophobicContact CE1-CB 3.86Å; F596-A598 PolarHBondContact O-N 2.84Å; F596-T628 HydrophobicContact CE1-CG2 4.02Å; F596-T628 HydrophobicContact CZ-CG2 3.8Å; F596-M631 HydrophobicContact CE2-CB 3.84Å; F596-M631 HydrophobicContact CZ-CB 4.22Å; F596-E632 HydrophobicContact CE1-CB 4.46Å; F596-E632 HydrophobicContact CZ-CB 4.46Å; F596-F639 HydrophobicContact CB-CD2 3.4Å; F596-F639 VanDerWaalsContact CB-CD2 3.4Å; F596-F639 HydrophobicContact CB-CE2 3.7Å; F596-F639 HydrophobicContact CB-CG 4.05Å; F596-F639 HydrophobicContact CD1-CD2 4.28Å; F596-F639 HydrophobicContact CD1-CE2 4.02Å; F596-F639 AromaticContact CD2-CD2 3.98Å; F596-F639 HydrophobicContact CD2-CD2 3.98Å; F596-F639 AromaticContact CD2-CE2 3.3Å; F596-F639 HydrophobicContact CD2-CE2 3.3Å; F596-F639 AromaticContact CD2-CZ 3.71Å; F596-F639 HydrophobicContact CD2-CZ 3.71Å; F596-F639 HydrophobicContact CE1-CE2 4.43Å; F596-F639 AromaticContact CE2-CE2 3.81Å; F596-F639 HydrophobicContact CE2-CE2 3.81Å; F596-F639 HydrophobicContact CE2-CZ 4.11Å; F596-F639 AromaticContact CG-CD2 3.66Å; F596-F639 HydrophobicContact CG-CD2 3.66Å; F596-F639 AromaticContact CG-CE2 3.42Å; F596-F639 HydrophobicContact CG-CE2 3.42Å; F596-F639 VanDerWaalsContact CG-CE2 3.42Å; F596-F639 HydrophobicContact CG-CZ 4.26Å; F596-F639 HydrophobicContact CZ-CE2 4.34Å; F596-T641 PolarHBondContact N-O 3.04Å; F596-A642 HydrophobicContact CB-CB 4.09Å; F596-A642 HydrophobicContact CD1-CB 4.11Å; F596-A642 CarbonylContact O-C 3.59Å; F596-A642 VanDerWaalsContact O-CA 3.24Å; F596-A642 WeakPolarHBondContact O-CA 3.41Å; F596-I643 PolarHBondContact O-N 2.94Å
597	I	94.3	Very high	88.9	Confident	0 Å²	0	37.1 Å²	37.1	0%	0	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.8	96.5	178.3	-52.1	-56.2	0	0	0	108.5	L484 I485 C490 Q492 L495 V595 I643 N645	L484-I597 HydrophobicContact CD2-CD1 4.43Å; I485-I597 PolarHBondContact O-N 2.94Å; C490-I597 VanDerWaalsContact O-CG2 3.22Å; C490-I597 WeakPolarHBondContact O-CG2 3.32Å; Q492-I597 HydrophobicContact CG-CB 3.8Å; Q492-I597 HydrophobicContact CG-CG1 3.95Å; Q492-I597 HydrophobicContact CG-CG2 4.23Å; L495-I597 HydrophobicContact CD1-CD1 4.12Å; L495-I597 HydrophobicContact CD1-CG1 4.39Å; L495-I597 HydrophobicContact CD1-CG2 4.17Å; V595-I597 HydrophobicContact CG1-CD1 3.96Å; I597-I643 HydrophobicContact CD1-CB 4.1Å; I597-I643 HydrophobicContact CD1-CD1 4.16Å; I597-I643 HydrophobicContact CD1-CG1 4.46Å; I597-N645 HydrophobicContact CG2-CB 4.02Å
598	A	91.6	Very high	88.2	Confident	3 Å²	3	32.8 Å²	32.8	3%	0.025	17%	0.166	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.9	143.1	178.9	0	0	0	0	0	111.3	F596 T628 I643 V644 N645	F596-A598 HydrophobicContact CD1-CB 4.11Å; F596-A598 HydrophobicContact CE1-CB 3.86Å; F596-A598 PolarHBondContact O-N 2.84Å; A598-T628 HydrophobicContact CB-CG2 4.47Å; A598-I643 PolarHBondContact N-O 3.17Å; A598-V644 HydrophobicContact CB-CG2 4.44Å; A598-N645 PolarHBondContact O-N 2.83Å
599	P	87.7	Confident	87.5	Confident	16 Å²	16	32.6 Å²	32.6	10%	0.104	16%	0.163	C	C	.	.			trans	-65.8	158.7	166.3	28.8	-33.3	0	0	0	111.2	P487 L605 I624 T628	P487-P599 HydrophobicContact CG-CG 4.47Å; P599-L605 HydrophobicContact CB-CD2 4.17Å; P599-I624 HydrophobicContact CB-CG2 4.28Å; P599-I624 HydrophobicContact CG-CG2 4.09Å; P599-T628 WeakPolarHBondContact CD-OG1 3.3Å; P599-T628 HydrophobicContact CG-CG2 4.14Å; P599-T628 WeakPolarHBondContact CG-OG1 3.44Å
600	P	85.6	Confident	86.9	Confident	11 Å²	11	31.8 Å²	31.8	7%	0.071	17%	0.166	C	C	.	.			trans	-78	-179.5	168.6	36.7	-34.6	0	0	0	110.8	R604 L605 L608 V644 N645	P600-R604 HydrophobicContact CB-CB 3.99Å; P600-R604 HydrophobicContact CB-CG 3.72Å; P600-R604 HydrophobicContact CG-CB 4.14Å; P600-R604 HydrophobicContact CG-CG 3.83Å; P600-L605 HydrophobicContact CG-CB 4.14Å; P600-L608 HydrophobicContact CG-CD1 3.96Å; P600-V644 HydrophobicContact CB-CG1 4.38Å; P600-N645 WeakPolarHBondContact CD-O 3.23Å
601	S	83.2	Confident	85.8	Confident	44 Å²	44	40.2 Å²	40.2	31%	0.308	20%	0.202	S	C	.	.			trans	-53.5	150.8	176.7	68	0	0	0	0	112.6	E603 R604 L605	S601-E603 PolarHBondContact O-N 3.2Å; S601-R604 CarbonylContact O-C 3.57Å; S601-R604 WeakPolarHBondContact O-CA 3.42Å; S601-R604 WeakPolarHBondContact O-CB 3.21Å; S601-R604 PolarHBondContact O-N 2.97Å; S601-L605 PolarHBondContact O-N 2.8Å
602	Q	80.4	Confident	84.6	Confident	49 Å²	49	43.6 Å²	43.6	23%	0.229	22%	0.218	C	C	.	.	H	α-helix	trans	-48.9	-40.6	-174.2	-170.1	-174.4	-121.3	0	0	113.7	L81 R606 L621 I625	L81-Q602 HydrophobicContact CD1-CB 3.67Å; L81-Q602 VanDerWaalsContact CD1-N 3.29Å; Q602-R606 WeakPolarHBondContact O-CB 3.34Å; Q602-R606 PolarHBondContact O-N 2.57Å; Q602-L621 HydrophobicContact CG-CB 4.31Å; Q602-I625 HydrophobicContact CB-CD1 3.48Å; Q602-I625 VanDerWaalsContact CB-CD1 3.48Å; Q602-I625 HydrophobicContact CG-CD1 3.73Å
603	E	79.9	Confident	83.4	Confident	144 Å²	144	46.7 Å²	46.7	67%	0.673	25%	0.25	S	C	*	.	H	α-helix	trans	-70.9	-41.5	180	-53.2	-165.1	142	0	0	112	S601 R606 A607	S601-E603 PolarHBondContact O-N 3.2Å; E603-R606 PolarHBondContact O-N 3.08Å; E603-A607 WeakPolarHBondContact O-CB 2.97Å; E603-A607 PolarHBondContact O-N 2.93Å
604	R	79.1	Confident	82.4	Confident	109 Å²	109	50.7 Å²	50.7	41%	0.411	27%	0.268	S	S	.	.	H	α-helix	trans	-67	-42.3	175.9	-178.1	60.6	178.1	-158.3	0.7	111.1	P600 S601 A607 L608 S646	P600-R604 HydrophobicContact CB-CB 3.99Å; P600-R604 HydrophobicContact CB-CG 3.72Å; P600-R604 HydrophobicContact CG-CB 4.14Å; P600-R604 HydrophobicContact CG-CG 3.83Å; S601-R604 CarbonylContact O-C 3.57Å; S601-R604 WeakPolarHBondContact O-CA 3.42Å; S601-R604 WeakPolarHBondContact O-CB 3.21Å; S601-R604 PolarHBondContact O-N 2.97Å; R604-A607 PolarHBondContact O-N 2.81Å; R604-L608 HydrophobicContact CG-CD1 4.22Å; R604-L608 VanDerWaalsContact O-CG 3.31Å; R604-L608 WeakPolarHBondContact O-CG 3.4Å; R604-L608 PolarHBondContact O-N 3.47Å; R604-S646 PolarHBondContact NE-O 3.38Å; R604-S646 VanDerWaalsContact NE-O 3.13Å; R604-S646 PolarHBondContact NH2-O 3.37Å
605	L	79.5	Confident	81.4	Confident	9 Å²	9	57.5 Å²	57.5	5%	0.047	30%	0.304	C	S	.	.	H	α-helix	trans	-61.3	-45.3	175.8	-178.9	61	0	0	0	111.1	P599 P600 S601 A607 L608 L609 L621 I624	P599-L605 HydrophobicContact CB-CD2 4.17Å; P600-L605 HydrophobicContact CG-CB 4.14Å; S601-L605 PolarHBondContact O-N 2.8Å; L605-A607 PolarHBondContact O-N 2.71Å; L605-L608 PolarHBondContact O-N 2.74Å; L605-L609 HydrophobicContact CD1-CD1 3.82Å; L605-L609 HydrophobicContact CD1-CG 4.23Å; L605-L609 HydrophobicContact CG-CD1 3.94Å; L605-L609 WeakPolarHBondContact O-CG 3.39Å; L605-L609 PolarHBondContact O-N 2.92Å; L605-L621 HydrophobicContact CB-CD2 4.35Å; L605-L621 HydrophobicContact CD2-CD2 3.73Å; L605-L621 HydrophobicContact CG-CD2 3.73Å; L605-I624 HydrophobicContact CD2-CB 4.49Å; L605-I624 HydrophobicContact CD2-CD1 4.45Å; L605-I624 HydrophobicContact CD2-CG2 3.92Å
606	R	80.4	Confident	80.5	Confident	93 Å²	93	58.9 Å²	58.9	35%	0.351	31%	0.313	S	S	.	.	H	α-helix	trans	-58.2	-45.5	173.2	-171.5	-177.5	-62.2	135.7	3.2	111.8	Q602 E603 A610 L621	Q602-R606 WeakPolarHBondContact O-CB 3.34Å; Q602-R606 PolarHBondContact O-N 2.57Å; E603-R606 PolarHBondContact O-N 3.08Å; R606-A610 VanDerWaalsContact O-CB 3.26Å; R606-A610 WeakPolarHBondContact O-CB 3.19Å; R606-A610 PolarHBondContact O-N 3.46Å; R606-L621 HydrophobicContact CB-CD1 3.79Å; R606-L621 HydrophobicContact CG-CD1 3.92Å
607	A	79	Confident	79.8	Confident	51 Å²	51	64.8 Å²	64.8	42%	0.421	34%	0.339	S	S	.	.	H	α-helix	trans	-69.2	-30.8	-179.6	0	0	0	0	0	113.8	E603 R604 L605 K611	E603-A607 WeakPolarHBondContact O-CB 2.97Å; E603-A607 PolarHBondContact O-N 2.93Å; R604-A607 PolarHBondContact O-N 2.81Å; L605-A607 PolarHBondContact O-N 2.71Å; A607-K611 WeakPolarHBondContact O-CG 3.23Å; A607-K611 PolarHBondContact O-N 3.48Å
608	L	75	Confident	79.3	Confident	43 Å²	43	67.7 Å²	67.7	23%	0.225	36%	0.357	C	S	.	.	H	α-helix	trans	-71.6	-51.7	173.4	-72.2	170.2	0	0	0	111	P600 R604 L605 A610 K611 E612	P600-L608 HydrophobicContact CG-CD1 3.96Å; R604-L608 HydrophobicContact CG-CD1 4.22Å; R604-L608 VanDerWaalsContact O-CG 3.31Å; R604-L608 WeakPolarHBondContact O-CG 3.4Å; R604-L608 PolarHBondContact O-N 3.47Å; L605-L608 PolarHBondContact O-N 2.74Å; L608-A610 VanDerWaalsContact C-N 3.3Å; L608-A610 PolarHBondContact O-N 3.36Å; L608-K611 WeakPolarHBondContact O-CB 3.45Å; L608-K611 PolarHBondContact O-N 3.23Å; L608-E612 PolarHBondContact O-N 3.23Å
609	L	76.8	Confident	78.9	Confident	12 Å²	12	72.5 Å²	72.5	6%	0.063	38%	0.38	C	S	.	.	H	α-helix	trans	-61.6	-39.6	-179.4	-68.9	168.8	0	0	0	111.4	L605 K611 E612 G613 K614 P616 L621	L605-L609 HydrophobicContact CD1-CD1 3.82Å; L605-L609 HydrophobicContact CD1-CG 4.23Å; L605-L609 HydrophobicContact CG-CD1 3.94Å; L605-L609 WeakPolarHBondContact O-CG 3.39Å; L605-L609 PolarHBondContact O-N 2.92Å; L609-K611 VanDerWaalsContact C-N 3.27Å; L609-K611 PolarHBondContact O-N 2.84Å; L609-E612 CarbonylContact O-C 3.58Å; L609-E612 WeakPolarHBondContact O-CA 3.42Å; L609-E612 WeakPolarHBondContact O-CB 3.49Å; L609-E612 PolarHBondContact O-N 3.42Å; L609-G613 PolarHBondContact O-N 3.24Å; L609-K614 CarbonylContact C-O 3.52Å; L609-K614 HydrophobicContact CB-CB 4.15Å; L609-K614 HydrophobicContact CD2-CB 4.43Å; L609-K614 HydrophobicContact CD2-CD 3.76Å; L609-K614 CarbonylContact O-C 3.54Å; L609-K614 WeakPolarHBondContact O-CA 3.37Å; L609-K614 WeakPolarHBondContact O-CB 3Å; L609-K614 PolarHBondContact O-N 3.22Å; L609-P616 HydrophobicContact CB-CG 4.15Å; L609-P616 HydrophobicContact CD1-CG 3.81Å; L609-L621 HydrophobicContact CD1-CD2 4.12Å
610	A	77.8	Confident	78.7	Confident	46 Å²	46	75 Å²	75	38%	0.38	39%	0.39	S	S	.	.	H	α-helix	trans	-60.5	-32.9	174.2	0	0	0	0	0	113.3	R606 L608 E612 G613 K614	R606-A610 VanDerWaalsContact O-CB 3.26Å; R606-A610 WeakPolarHBondContact O-CB 3.19Å; R606-A610 PolarHBondContact O-N 3.46Å; L608-A610 VanDerWaalsContact C-N 3.3Å; L608-A610 PolarHBondContact O-N 3.36Å; A610-E612 VanDerWaalsContact C-N 3.34Å; A610-G613 PolarHBondContact O-N 2.59Å; A610-K614 WeakPolarHBondContact CA-O 3.5Å; A610-K614 PolarHBondContact N-O 2.89Å
611	K	72.8	Confident	78.5	Confident	181 Å²	181	74.5 Å²	74.5	79%	0.787	39%	0.387	S	S	*	.	H	α-helix	trans	-70.5	-28.5	172.6	-76.3	178.9	173	-169.3	0	113	A607 L608 L609 G613	A607-K611 WeakPolarHBondContact O-CG 3.23Å; A607-K611 PolarHBondContact O-N 3.48Å; L608-K611 WeakPolarHBondContact O-CB 3.45Å; L608-K611 PolarHBondContact O-N 3.23Å; L609-K611 VanDerWaalsContact C-N 3.27Å; L609-K611 PolarHBondContact O-N 2.84Å; K611-G613 PolarHBondContact O-N 2.91Å
612	E	70.2	Confident	78.6	Confident	99 Å²	99	79.2 Å²	79.2	46%	0.463	40%	0.398	S	S	.	.	T	Hydrogen-bonded Turn	trans	-79.8	5.2	172.3	-61.1	-178.8	175.7	0	0	112.9	L608 L609 A610 K614	L608-E612 PolarHBondContact O-N 3.23Å; L609-E612 CarbonylContact O-C 3.58Å; L609-E612 WeakPolarHBondContact O-CA 3.42Å; L609-E612 WeakPolarHBondContact O-CB 3.49Å; L609-E612 PolarHBondContact O-N 3.42Å; A610-E612 VanDerWaalsContact C-N 3.34Å; E612-K614 HydrophobicContact CB-CD 4.19Å; E612-K614 HydrophobicContact CB-CG 4.29Å; E612-K614 PolarHBondContact O-N 3.3Å; E612-K614 WeakPolarHBondContact OE2-CD 3.45Å; E612-K614 VanDerWaalsContact OE2-CE 3.26Å; E612-K614 WeakPolarHBondContact OE2-CE 3.42Å; E612-K614 IonicContact OE2-NZ 2.83Å; E612-K614 PolarHBondContact OE2-NZ 2.74Å
613	G	72.1	Confident	78.8	Confident	65 Å²	65	81.9 Å²	81.9	67%	0.67	41%	0.41	S	S	*	.	T	Hydrogen-bonded Turn	trans	73.9	5.3	-174.3	0	0	0	0	0	114.2	L609 A610 K611	L609-G613 PolarHBondContact O-N 3.24Å; A610-G613 PolarHBondContact O-N 2.59Å; K611-G613 PolarHBondContact O-N 2.91Å
614	K	76.8	Confident	79	Confident	89 Å²	89	76.1 Å²	76.1	39%	0.387	38%	0.384	S	S	.	.			trans	-90.5	113.9	176.4	-60.4	168.9	-173.8	165.9	0	108.5	L609 A610 E612 P616	L609-K614 CarbonylContact C-O 3.52Å; L609-K614 HydrophobicContact CB-CB 4.15Å; L609-K614 HydrophobicContact CD2-CB 4.43Å; L609-K614 HydrophobicContact CD2-CD 3.76Å; L609-K614 CarbonylContact O-C 3.54Å; L609-K614 WeakPolarHBondContact O-CA 3.37Å; L609-K614 WeakPolarHBondContact O-CB 3Å; L609-K614 PolarHBondContact O-N 3.22Å; A610-K614 WeakPolarHBondContact CA-O 3.5Å; A610-K614 PolarHBondContact N-O 2.89Å; E612-K614 HydrophobicContact CB-CD 4.19Å; E612-K614 HydrophobicContact CB-CG 4.29Å; E612-K614 PolarHBondContact O-N 3.3Å; E612-K614 WeakPolarHBondContact OE2-CD 3.45Å; E612-K614 VanDerWaalsContact OE2-CE 3.26Å; E612-K614 WeakPolarHBondContact OE2-CE 3.42Å; E612-K614 IonicContact OE2-NZ 2.83Å; E612-K614 PolarHBondContact OE2-NZ 2.74Å; K614-P616 VanDerWaalsContact C-CD 3.41Å; K614-P616 WeakPolarHBondContact O-CD 3.38Å
615	N	76.3	Confident	79.2	Confident	142 Å²	142	72.5 Å²	72.5	76%	0.759	37%	0.372	S	S	*	.			trans	-102.1	81.2	171.2	-76	-39.7	0	0	0	109.9
616	P	75.9	Confident	79.6	Confident	30 Å²	30	75.8 Å²	75.8	20%	0.195	39%	0.387	C	S	.	.			trans	-66.9	153	177	32.7	-39.4	0	0	0	110.9	L609 K614 E620 L621	L609-P616 HydrophobicContact CB-CG 4.15Å; L609-P616 HydrophobicContact CD1-CG 3.81Å; K614-P616 VanDerWaalsContact C-CD 3.41Å; K614-P616 WeakPolarHBondContact O-CD 3.38Å; P616-E620 VanDerWaalsContact CA-OE2 3.28Å; P616-E620 WeakPolarHBondContact CA-OE2 3.19Å; P616-E620 HydrophobicContact CB-CB 4.41Å; P616-L621 HydrophobicContact CB-CD2 4.45Å; P616-L621 HydrophobicContact CB-CG 4.3Å; P616-L621 HydrophobicContact CG-CD1 4.21Å; P616-L621 HydrophobicContact CG-CD2 3.83Å; P616-L621 HydrophobicContact CG-CG 3.95Å
617	K	82.2	Confident	79.9	Confident	124 Å²	124	75.7 Å²	75.7	54%	0.539	39%	0.389	S	S	.	.			trans	-70.7	153.2	174.6	-59.2	-172.5	-159.2	96	0	111	E619 E620 L621	K617-E619 PolarHBondContact O-N 3.09Å; K617-E619 VanDerWaalsContact O-N 3.15Å; K617-E620 HydrophobicContact CB-CG 4.11Å; K617-E620 WeakPolarHBondContact CD-OE1 3.34Å; K617-E620 VanDerWaalsContact CG-OE1 3.32Å; K617-E620 WeakPolarHBondContact CG-OE1 3.09Å; K617-E620 PolarHBondContact N-OE2 3.41Å; K617-E620 IonicContact NZ-OE1 2.71Å; K617-E620 PolarHBondContact NZ-OE1 3.27Å; K617-E620 PolarHBondContact O-N 2.91Å; K617-E620 VanDerWaalsContact O-N 3.14Å; K617-L621 PolarHBondContact O-N 2.99Å; K617-L621 VanDerWaalsContact O-N 3.14Å
618	P	82.8	Confident	80.3	Confident	61 Å²	61	74 Å²	74	40%	0.396	37%	0.374	S	S	.	.	H	α-helix	trans	-53.4	-32	171.8	-25.6	34.9	0	0	0	113.4	R622	P618-R622 WeakPolarHBondContact O-CG 3.47Å; P618-R622 PolarHBondContact O-N 2.86Å; P618-R622 VanDerWaalsContact O-N 3.1Å
619	E	84.6	Confident	80.9	Confident	105 Å²	105	78.7 Å²	78.7	49%	0.491	39%	0.389	S	S	.	.	H	α-helix	trans	-69.2	-44.3	178.6	-67.1	58.5	-124.1	0	0	111.5	K617 L621 R622 E623	K617-E619 PolarHBondContact O-N 3.09Å; K617-E619 VanDerWaalsContact O-N 3.15Å; E619-L621 VanDerWaalsContact C-N 3.32Å; E619-L621 PolarHBondContact O-N 3.24Å; E619-R622 PolarHBondContact O-N 3.39Å; E619-R622 IonicContact OE1-NH1 2.68Å; E619-R622 PolarHBondContact OE1-NH1 2.83Å; E619-R622 VanDerWaalsContact OE1-NH1 3.13Å; E619-E623 PolarHBondContact O-N 3.1Å
620	E	82.6	Confident	81.4	Confident	69 Å²	69	82.6 Å²	82.6	32%	0.322	41%	0.406	S	S	.	.	H	α-helix	trans	-63.9	-38.1	177.4	-65.3	156.5	-164	0	0	111	P616 K617 E623 I624	P616-E620 VanDerWaalsContact CA-OE2 3.28Å; P616-E620 WeakPolarHBondContact CA-OE2 3.19Å; P616-E620 HydrophobicContact CB-CB 4.41Å; K617-E620 HydrophobicContact CB-CG 4.11Å; K617-E620 WeakPolarHBondContact CD-OE1 3.34Å; K617-E620 VanDerWaalsContact CG-OE1 3.32Å; K617-E620 WeakPolarHBondContact CG-OE1 3.09Å; K617-E620 PolarHBondContact N-OE2 3.41Å; K617-E620 IonicContact NZ-OE1 2.71Å; K617-E620 PolarHBondContact NZ-OE1 3.27Å; K617-E620 PolarHBondContact O-N 2.91Å; K617-E620 VanDerWaalsContact O-N 3.14Å; E620-E623 PolarHBondContact O-N 2.76Å; E620-I624 WeakPolarHBondContact O-CG1 3.38Å; E620-I624 PolarHBondContact O-N 2.82Å; E620-I624 VanDerWaalsContact O-N 3.11Å
621	L	81.9	Confident	81.9	Confident	0 Å²	0	81.2 Å²	81.2	0%	0	39%	0.392	C	S	.	.	H	α-helix	trans	-65.6	-40.4	174.1	-69.6	169.1	0	0	0	112.5	Q602 L605 R606 L609 P616 K617 E619 I625	Q602-L621 HydrophobicContact CG-CB 4.31Å; L605-L621 HydrophobicContact CB-CD2 4.35Å; L605-L621 HydrophobicContact CD2-CD2 3.73Å; L605-L621 HydrophobicContact CG-CD2 3.73Å; R606-L621 HydrophobicContact CB-CD1 3.79Å; R606-L621 HydrophobicContact CG-CD1 3.92Å; L609-L621 HydrophobicContact CD1-CD2 4.12Å; P616-L621 HydrophobicContact CB-CD2 4.45Å; P616-L621 HydrophobicContact CB-CG 4.3Å; P616-L621 HydrophobicContact CG-CD1 4.21Å; P616-L621 HydrophobicContact CG-CD2 3.83Å; P616-L621 HydrophobicContact CG-CG 3.95Å; K617-L621 PolarHBondContact O-N 2.99Å; K617-L621 VanDerWaalsContact O-N 3.14Å; E619-L621 VanDerWaalsContact C-N 3.32Å; E619-L621 PolarHBondContact O-N 3.24Å; L621-I625 WeakPolarHBondContact O-CD1 3.36Å; L621-I625 WeakPolarHBondContact O-CG1 3.39Å; L621-I625 PolarHBondContact O-N 2.81Å
622	R	83.6	Confident	82.6	Confident	143 Å²	143	75 Å²	75	54%	0.54	37%	0.366	S	S	.	.	H	α-helix	trans	-65.5	-42.6	174.1	-73.6	171.7	179.2	138.2	-6	111.5	P618 E619 I624 I625 E626	P618-R622 WeakPolarHBondContact O-CG 3.47Å; P618-R622 PolarHBondContact O-N 2.86Å; P618-R622 VanDerWaalsContact O-N 3.1Å; E619-R622 PolarHBondContact O-N 3.39Å; E619-R622 IonicContact OE1-NH1 2.68Å; E619-R622 PolarHBondContact OE1-NH1 2.83Å; E619-R622 VanDerWaalsContact OE1-NH1 3.13Å; R622-I624 VanDerWaalsContact C-N 3.33Å; R622-I624 PolarHBondContact O-N 3.32Å; R622-I625 PolarHBondContact O-N 2.78Å; R622-I625 VanDerWaalsContact O-N 3.15Å; R622-E626 WeakPolarHBondContact O-CB 3.19Å; R622-E626 PolarHBondContact O-N 2.76Å
623	E	85.6	Confident	83.3	Confident	104 Å²	104	75.8 Å²	75.8	49%	0.486	37%	0.37	S	S	.	.	H	α-helix	trans	-61	-40.1	179	-167.4	-171.4	150.3	0	0	112.1	E619 E620 K627	E619-E623 PolarHBondContact O-N 3.1Å; E620-E623 PolarHBondContact O-N 2.76Å; E623-K627 HydrophobicContact CG-CD 4.2Å; E623-K627 WeakPolarHBondContact O-CB 3.32Å; E623-K627 VanDerWaalsContact O-CG 3.3Å; E623-K627 WeakPolarHBondContact O-CG 3.5Å; E623-K627 PolarHBondContact O-N 2.76Å; E623-K627 WeakPolarHBondContact OE1-CE 3.42Å; E623-K627 IonicContact OE1-NZ 3.79Å; E623-K627 PolarHBondContact OE1-NZ 3.17Å
624	I	83.9	Confident	83.9	Confident	24 Å²	24	77.1 Å²	77.1	12%	0.123	36%	0.361	C	S	.	.	H	α-helix	trans	-61.9	-43.5	173.8	-71.3	164.8	0	0	0	111.3	P487 P599 L605 E620 R622 T628	P487-I624 HydrophobicContact CB-CG2 4.15Å; P599-I624 HydrophobicContact CB-CG2 4.28Å; P599-I624 HydrophobicContact CG-CG2 4.09Å; L605-I624 HydrophobicContact CD2-CB 4.49Å; L605-I624 HydrophobicContact CD2-CD1 4.45Å; L605-I624 HydrophobicContact CD2-CG2 3.92Å; E620-I624 WeakPolarHBondContact O-CG1 3.38Å; E620-I624 PolarHBondContact O-N 2.82Å; E620-I624 VanDerWaalsContact O-N 3.11Å; R622-I624 VanDerWaalsContact C-N 3.33Å; R622-I624 PolarHBondContact O-N 3.32Å; I624-T628 PolarHBondContact O-N 3.33Å; I624-T628 PolarHBondContact O-OG1 2.84Å
625	I	84.2	Confident	84.5	Confident	32 Å²	32	74.3 Å²	74.3	16%	0.164	35%	0.351	C	S	.	.	H	α-helix	trans	-69.7	-43.3	-179.1	-68.5	163.6	0	0	0	111.1	L81 Q602 L621 R622 T628 R629	L81-I625 HydrophobicContact CD1-CD1 3.99Å; L81-I625 HydrophobicContact CD2-CG2 3.85Å; Q602-I625 HydrophobicContact CB-CD1 3.48Å; Q602-I625 VanDerWaalsContact CB-CD1 3.48Å; Q602-I625 HydrophobicContact CG-CD1 3.73Å; L621-I625 WeakPolarHBondContact O-CD1 3.36Å; L621-I625 WeakPolarHBondContact O-CG1 3.39Å; L621-I625 PolarHBondContact O-N 2.81Å; R622-I625 PolarHBondContact O-N 2.78Å; R622-I625 VanDerWaalsContact O-N 3.15Å; I625-T628 VanDerWaalsContact O-CB 3.23Å; I625-T628 WeakPolarHBondContact O-CB 3.45Å; I625-T628 PolarHBondContact O-N 3.31Å; I625-T628 VanDerWaalsContact O-N 3.13Å; I625-R629 PolarHBondContact O-N 2.9Å
626	E	87.1	Confident	84.9	Confident	78 Å²	78	67.6 Å²	67.6	36%	0.364	32%	0.315	S	S	.	.	H	α-helix	trans	-63.1	-46.5	178.1	-165.3	57.3	-123.9	0	0	110.7	R622 T628 R629 E630	R622-E626 WeakPolarHBondContact O-CB 3.19Å; R622-E626 PolarHBondContact O-N 2.76Å; E626-T628 VanDerWaalsContact C-N 3.26Å; E626-T628 PolarHBondContact O-N 2.88Å; E626-R629 WeakPolarHBondContact O-CA 3.41Å; E626-R629 WeakPolarHBondContact O-CB 3.32Å; E626-R629 PolarHBondContact O-N 3.22Å; E626-R629 IonicContact OE1-CZ 2.74Å; E626-R629 IonicContact OE1-NE 2.83Å; E626-R629 PolarHBondContact OE1-NE 2.74Å; E626-R629 IonicContact OE1-NH2 2.92Å; E626-R629 PolarHBondContact OE1-NH2 2.66Å; E626-R629 IonicContact OE2-NE 3.79Å; E626-E630 WeakPolarHBondContact O-CG 3.36Å; E626-E630 PolarHBondContact O-N 3.34Å
627	K	86.6	Confident	85.5	Confident	91 Å²	91	67.6 Å²	67.6	40%	0.396	31%	0.312	S	S	.	.	H	α-helix	trans	-60	-34.3	172.8	-74.3	173.7	173.8	175.2	0	112.8	E623 R629 M631	E623-K627 HydrophobicContact CG-CD 4.2Å; E623-K627 WeakPolarHBondContact O-CB 3.32Å; E623-K627 VanDerWaalsContact O-CG 3.3Å; E623-K627 WeakPolarHBondContact O-CG 3.5Å; E623-K627 PolarHBondContact O-N 2.76Å; E623-K627 WeakPolarHBondContact OE1-CE 3.42Å; E623-K627 IonicContact OE1-NZ 3.79Å; E623-K627 PolarHBondContact OE1-NZ 3.17Å; K627-R629 VanDerWaalsContact C-N 3.34Å; K627-M631 VanDerWaalsContact O-CB 3.31Å; K627-M631 WeakPolarHBondContact O-CB 3.49Å; K627-M631 WeakPolarHBondContact O-CG 3.47Å; K627-M631 PolarHBondContact O-N 2.8Å
628	T	87.5	Confident	85.9	Confident	16 Å²	16	63.2 Å²	63.2	10%	0.098	29%	0.293	C	S	.	.	H	α-helix	trans	-59.7	-47.5	172.4	-52.1	0	0	0	0	110.7	P487 F596 A598 P599 I624 I625 E626 M631 E632	P487-T628 HydrophobicContact CG-CG2 4.49Å; P487-T628 WeakPolarHBondContact CG-OG1 3.34Å; F596-T628 HydrophobicContact CE1-CG2 4.02Å; F596-T628 HydrophobicContact CZ-CG2 3.8Å; A598-T628 HydrophobicContact CB-CG2 4.47Å; P599-T628 WeakPolarHBondContact CD-OG1 3.3Å; P599-T628 HydrophobicContact CG-CG2 4.14Å; P599-T628 WeakPolarHBondContact CG-OG1 3.44Å; I624-T628 PolarHBondContact O-N 3.33Å; I624-T628 PolarHBondContact O-OG1 2.84Å; I625-T628 VanDerWaalsContact O-CB 3.23Å; I625-T628 WeakPolarHBondContact O-CB 3.45Å; I625-T628 PolarHBondContact O-N 3.31Å; I625-T628 VanDerWaalsContact O-N 3.13Å; E626-T628 VanDerWaalsContact C-N 3.26Å; E626-T628 PolarHBondContact O-N 2.88Å; T628-M631 PolarHBondContact O-N 2.98Å; T628-E632 PolarHBondContact O-N 3.46Å
629	R	86.9	Confident	86.2	Confident	142 Å²	142	60.5 Å²	60.5	54%	0.536	28%	0.275	S	S	.	.	H	α-helix	trans	-63.7	-47.2	-179.7	-167	177.9	75.6	100.8	0.5	111.6	I625 E626 K627 M631 E632 Q633	I625-R629 PolarHBondContact O-N 2.9Å; E626-R629 WeakPolarHBondContact O-CA 3.41Å; E626-R629 WeakPolarHBondContact O-CB 3.32Å; E626-R629 PolarHBondContact O-N 3.22Å; E626-R629 IonicContact OE1-CZ 2.74Å; E626-R629 IonicContact OE1-NE 2.83Å; E626-R629 PolarHBondContact OE1-NE 2.74Å; E626-R629 IonicContact OE1-NH2 2.92Å; E626-R629 PolarHBondContact OE1-NH2 2.66Å; E626-R629 IonicContact OE2-NE 3.79Å; K627-R629 VanDerWaalsContact C-N 3.34Å; R629-M631 VanDerWaalsContact C-N 3.33Å; R629-M631 PolarHBondContact O-N 2.86Å; R629-E632 PolarHBondContact O-N 3.29Å; R629-Q633 WeakPolarHBondContact O-CB 3.49Å; R629-Q633 PolarHBondContact O-N 2.79Å
630	E	88.1	Confident	86.6	Confident	93 Å²	93	57.1 Å²	57.1	44%	0.435	26%	0.26	S	S	.	.	H	α-helix	trans	-58.6	-42.2	174.6	-67.9	173.9	158.2	0	0	112	E626 N634	E626-E630 WeakPolarHBondContact O-CG 3.36Å; E626-E630 PolarHBondContact O-N 3.34Å; E630-N634 VanDerWaalsContact O-CB 3.25Å; E630-N634 WeakPolarHBondContact O-CB 3.29Å; E630-N634 VanDerWaalsContact O-CG 3.25Å; E630-N634 PolarHBondContact O-N 3.2Å
631	M	89.2	Confident	87	Confident	18 Å²	18	55 Å²	55	9%	0.089	25%	0.252	C	S	.	.	H	α-helix	trans	-67.7	-45.1	178.2	-70.4	172.2	88.3	0	0	112.5	P487 T579 F596 K627 T628 R629 N635	P487-M631 HydrophobicContact CG-SD 4.41Å; T579-M631 HydrophobicContact CG2-CB 4.38Å; T579-M631 HydrophobicContact CG2-CE 3.44Å; T579-M631 VanDerWaalsContact CG2-CE 3.44Å; T579-M631 HydrophobicContact CG2-CG 4.25Å; F596-M631 HydrophobicContact CE2-CB 3.84Å; F596-M631 HydrophobicContact CZ-CB 4.22Å; K627-M631 VanDerWaalsContact O-CB 3.31Å; K627-M631 WeakPolarHBondContact O-CB 3.49Å; K627-M631 WeakPolarHBondContact O-CG 3.47Å; K627-M631 PolarHBondContact O-N 2.8Å; T628-M631 PolarHBondContact O-N 2.98Å; R629-M631 VanDerWaalsContact C-N 3.33Å; R629-M631 PolarHBondContact O-N 2.86Å; M631-N635 WeakPolarHBondContact O-CA 3.22Å; M631-N635 WeakPolarHBondContact O-CB 3.28Å; M631-N635 PolarHBondContact O-N 2.77Å
632	E	86.3	Confident	87.4	Confident	51 Å²	51	55.8 Å²	55.8	24%	0.238	26%	0.258	C	S	.	.	H	α-helix	trans	-66.6	-41.7	177	-171.5	177	-179.7	0	0	111.5	S84 F596 T628 R629 G636	S84-E632 WeakPolarHBondContact CB-OE1 3.44Å; S84-E632 PolarHBondContact OG-OE1 3.16Å; F596-E632 HydrophobicContact CE1-CB 4.46Å; F596-E632 HydrophobicContact CZ-CB 4.46Å; T628-E632 PolarHBondContact O-N 3.46Å; R629-E632 PolarHBondContact O-N 3.29Å; E632-G636 WeakPolarHBondContact O-CA 3.31Å; E632-G636 PolarHBondContact O-N 3.11Å
633	Q	84.6	Confident	87.9	Confident	114 Å²	114	49.4 Å²	49.4	53%	0.533	24%	0.235	S	C	.	.	H	α-helix	trans	-63.1	-55.1	177.8	-178	171.6	-19.2	0	0	111.6	R629	R629-Q633 WeakPolarHBondContact O-CB 3.49Å; R629-Q633 PolarHBondContact O-N 2.79Å
634	N	85.8	Confident	88.2	Confident	93 Å²	93	47.2 Å²	47.2	50%	0.497	23%	0.228	S	C	.	.	H	α-helix	trans	-81.8	-28.4	-169.3	-60.5	-6.4	0	0	0	112.7	E630 H637	E630-N634 VanDerWaalsContact O-CB 3.25Å; E630-N634 WeakPolarHBondContact O-CB 3.29Å; E630-N634 VanDerWaalsContact O-CG 3.25Å; E630-N634 PolarHBondContact O-N 3.2Å; N634-H637 PolarHBondContact O-CE1 3.11Å; N634-H637 VanDerWaalsContact O-CE1 3.24Å; N634-H637 PolarHBondContact O-NE2 2.78Å
635	N	88.6	Confident	88.5	Confident	30 Å²	30	46.7 Å²	46.7	16%	0.16	23%	0.226	C	C	.	.	H	α-helix	trans	-124	-7.2	-173.6	-62.4	-95.5	0	0	0	114.3	T579 L582 M631 H637 Y638 F639	T579-N635 HydrophobicContact CG2-CB 4.02Å; L582-N635 HydrophobicContact CD1-CB 4.44Å; M631-N635 WeakPolarHBondContact O-CA 3.22Å; M631-N635 WeakPolarHBondContact O-CB 3.28Å; M631-N635 PolarHBondContact O-N 2.77Å; N635-H637 PolarHBondContact O-N 3.46Å; N635-Y638 HydrophobicContact CB-CD2 4.3Å; N635-Y638 WeakPolarHBondContact O-CB 3.4Å; N635-Y638 PolarHBondContact O-N 3.22Å; N635-F639 VanDerWaalsContact C-CE1 3.47Å; N635-F639 HydrophobicContact CB-CE1 3.65Å; N635-F639 HydrophobicContact CB-CZ 3.86Å; N635-F639 WeakPolarHBondContact O-CD1 3.49Å; N635-F639 WeakPolarHBondContact O-CE1 3.46Å
636	G	86	Confident	88.7	Confident	2 Å²	2	47.4 Å²	47.4	2%	0.021	23%	0.234	C	C	.	.	T	Hydrogen-bonded Turn	trans	-64.2	-9	-171.1	0	0	0	0	0	117	R86 E632	R86-G636 PolarHBondContact NH1-O 3.32Å; E632-G636 WeakPolarHBondContact O-CA 3.31Å; E632-G636 PolarHBondContact O-N 3.11Å
637	H	87.3	Confident	88.7	Confident	29 Å²	29	46.1 Å²	46.1	13%	0.134	23%	0.229	C	C	.	.	T	Hydrogen-bonded Turn	trans	-71.4	-33.4	169.3	59.9	-82.8	0	0	0	112.1	K351 H353 N634 N635 F639	K351-H637 PolarHBondContact NZ-O 3.41Å; H353-H637 HydrophobicContact CB-CB 4.47Å; H353-H637 WeakPolarHBondContact ND1-CB 3.47Å; N634-H637 PolarHBondContact O-CE1 3.11Å; N634-H637 VanDerWaalsContact O-CE1 3.24Å; N634-H637 PolarHBondContact O-NE2 2.78Å; N635-H637 PolarHBondContact O-N 3.46Å; H637-F639 VanDerWaalsContact C-N 3.31Å; H637-F639 PolarHBondContact O-N 3.28Å
638	Y	90.1	Very high	88.8	Confident	33 Å²	33	44.6 Å²	44.6	13%	0.129	23%	0.225	C	C	.	.	S	Bend	trans	-73.9	-14.5	177.8	-64	-39.3	0	0	0	114.6	L582 R586 I594 N635	L582-Y638 HydrophobicContact CB-CD2 4.15Å; L582-Y638 HydrophobicContact CD1-CD2 4.39Å; R586-Y638 PolarHBondContact NH1-O 3.49Å; I594-Y638 WeakPolarHBondContact CD1-O 3.2Å; N635-Y638 HydrophobicContact CB-CD2 4.3Å; N635-Y638 WeakPolarHBondContact O-CB 3.4Å; N635-Y638 PolarHBondContact O-N 3.22Å
639	F	90.1	Very high	89	Confident	3 Å²	3	48 Å²	48	1%	0.013	24%	0.243	C	C	.	.			trans	-86.6	128.1	-172.8	-47	-13	0	0	0	111	R86 I485 T579 L582 I594 F596 N635 H637	R86-F639 PolarHBondContact NH2-O 2.87Å; R86-F639 VanDerWaalsContact NH2-O 3.12Å; I485-F639 HydrophobicContact CD1-CD1 3.38Å; I485-F639 HydrophobicContact CD1-CD2 4.5Å; I485-F639 HydrophobicContact CD1-CE1 3.2Å; I485-F639 HydrophobicContact CD1-CE2 4.35Å; I485-F639 HydrophobicContact CD1-CG 4.08Å; I485-F639 HydrophobicContact CD1-CZ 3.74Å; T579-F639 HydrophobicContact CG2-CE1 4.42Å; T579-F639 HydrophobicContact CG2-CZ 4.41Å; L582-F639 HydrophobicContact CD1-CD1 4.33Å; L582-F639 HydrophobicContact CD1-CE1 3.88Å; I594-F639 HydrophobicContact CG2-CD1 4.14Å; F596-F639 HydrophobicContact CB-CD2 3.4Å; F596-F639 VanDerWaalsContact CB-CD2 3.4Å; F596-F639 HydrophobicContact CB-CE2 3.7Å; F596-F639 HydrophobicContact CB-CG 4.05Å; F596-F639 HydrophobicContact CD1-CD2 4.28Å; F596-F639 HydrophobicContact CD1-CE2 4.02Å; F596-F639 AromaticContact CD2-CD2 3.98Å; F596-F639 HydrophobicContact CD2-CD2 3.98Å; F596-F639 AromaticContact CD2-CE2 3.3Å; F596-F639 HydrophobicContact CD2-CE2 3.3Å; F596-F639 AromaticContact CD2-CZ 3.71Å; F596-F639 HydrophobicContact CD2-CZ 3.71Å; F596-F639 HydrophobicContact CE1-CE2 4.43Å; F596-F639 AromaticContact CE2-CE2 3.81Å; F596-F639 HydrophobicContact CE2-CE2 3.81Å; F596-F639 HydrophobicContact CE2-CZ 4.11Å; F596-F639 AromaticContact CG-CD2 3.66Å; F596-F639 HydrophobicContact CG-CD2 3.66Å; F596-F639 AromaticContact CG-CE2 3.42Å; F596-F639 HydrophobicContact CG-CE2 3.42Å; F596-F639 VanDerWaalsContact CG-CE2 3.42Å; F596-F639 HydrophobicContact CG-CZ 4.26Å; F596-F639 HydrophobicContact CZ-CE2 4.34Å; N635-F639 VanDerWaalsContact C-CE1 3.47Å; N635-F639 HydrophobicContact CB-CE1 3.65Å; N635-F639 HydrophobicContact CB-CZ 3.86Å; N635-F639 WeakPolarHBondContact O-CD1 3.49Å; N635-F639 WeakPolarHBondContact O-CE1 3.46Å; H637-F639 VanDerWaalsContact C-N 3.31Å; H637-F639 PolarHBondContact O-N 3.28Å
640	D	91.8	Very high	89.3	Confident	35 Å²	35	48.8 Å²	48.8	19%	0.187	25%	0.25	C	S	.	.	S	Bend	trans	-66.6	-47.8	171.4	-58.3	-120.4	0	0	0	109.9	R480 Y593 I594	R480-D640 IonicContact CZ-OD1 2.7Å; R480-D640 IonicContact NH1-OD1 3.98Å; R480-D640 IonicContact NH2-OD1 3.88Å; R480-D640 PolarHBondContact NH2-OD1 2.79Å; Y593-D640 HydrophobicContact CD2-CB 3.6Å; Y593-D640 VanDerWaalsContact CD2-CG 3.45Å; Y593-D640 WeakPolarHBondContact CD2-OD1 3.41Å; Y593-D640 HydrophobicContact CE2-CB 3.42Å; Y593-D640 VanDerWaalsContact CE2-CB 3.42Å; Y593-D640 HydrophobicContact CG-CB 4.34Å; I594-D640 PolarHBondContact N-OD2 2.82Å; I594-D640 PolarHBondContact O-N 3.15Å
641	T	91.2	Very high	89.6	Confident	25 Å²	25	44.6 Å²	44.6	15%	0.153	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-150.7	160.3	-176.7	-69.6	0	0	0	0	112	Y593 I594 V595 F596 L658	Y593-T641 PolarHBondContact OH-OG1 3.22Å; I594-T641 PolarHBondContact O-N 3.03Å; V595-T641 WeakPolarHBondContact CA-O 3.26Å; F596-T641 PolarHBondContact N-O 3.04Å; T641-L658 HydrophobicContact CG2-CD1 3.67Å; T641-L658 HydrophobicContact CG2-CD2 4.14Å
642	A	91.7	Very high	89.9	Confident	15 Å²	15	44.1 Å²	44.1	12%	0.124	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.1	142.6	176.5	0	0	0	0	0	111.6	L87 F596	L87-A642 HydrophobicContact CD2-CB 3.66Å; F596-A642 HydrophobicContact CB-CB 4.09Å; F596-A642 HydrophobicContact CD1-CB 4.11Å; F596-A642 CarbonylContact O-C 3.59Å; F596-A642 VanDerWaalsContact O-CA 3.24Å; F596-A642 WeakPolarHBondContact O-CA 3.41Å
643	I	93.6	Very high	90.4	Very high	10 Å²	10	47.3 Å²	47.3	5%	0.051	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.7	126.5	-179.3	-55.2	176.7	0	0	0	108.6	V595 F596 I597 A598 A651 E654 L655 L658	V595-I643 HydrophobicContact CG1-CD1 3.69Å; V595-I643 HydrophobicContact CG1-CG1 3.88Å; F596-I643 PolarHBondContact O-N 2.94Å; I597-I643 HydrophobicContact CD1-CB 4.1Å; I597-I643 HydrophobicContact CD1-CD1 4.16Å; I597-I643 HydrophobicContact CD1-CG1 4.46Å; A598-I643 PolarHBondContact N-O 3.17Å; I643-A651 HydrophobicContact CG2-CB 4.15Å; I643-E654 HydrophobicContact CD1-CG 4.39Å; I643-E654 HydrophobicContact CG1-CG 4.42Å; I643-L655 HydrophobicContact CD1-CB 3.77Å; I643-L655 HydrophobicContact CD1-CD1 4.07Å; I643-L655 HydrophobicContact CD1-CG 4.48Å; I643-L658 HydrophobicContact CD1-CD1 3.86Å; I643-L658 HydrophobicContact CG1-CD1 4.06Å
644	V	92.3	Very high	91	Very high	58 Å²	58	45 Å²	45	35%	0.352	23%	0.233	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-89	106.2	176	-174.7	0	0	0	0	109.8	L87 A598 P600 S646	L87-V644 HydrophobicContact CD1-CG2 4.08Å; L87-V644 HydrophobicContact CD2-CG2 4.04Å; L87-V644 HydrophobicContact CG-CG2 4.46Å; A598-V644 HydrophobicContact CB-CG2 4.44Å; P600-V644 HydrophobicContact CB-CG1 4.38Å; V644-S646 VanDerWaalsContact C-N 3.28Å; V644-S646 PolarHBondContact O-N 2.99Å
645	N	90.2	Very high	91.5	Very high	13 Å²	13	40.6 Å²	40.6	7%	0.07	21%	0.209	C	C	.	.			trans	-77.8	72.4	-175.5	-171.4	10.7	0	0	0	112.8	C490 I597 A598 P600 D647 L648 A651	C490-N645 PolarHBondContact O-ND2 3Å; I597-N645 HydrophobicContact CG2-CB 4.02Å; A598-N645 PolarHBondContact O-N 2.83Å; P600-N645 WeakPolarHBondContact CD-O 3.23Å; N645-D647 VanDerWaalsContact C-N 3.29Å; N645-D647 PolarHBondContact OD1-O 3.35Å; N645-L648 WeakPolarHBondContact ND2-CD2 3.5Å; N645-A651 HydrophobicContact CB-CB 4.27Å; N645-A651 WeakPolarHBondContact OD1-CB 3.49Å
646	S	87	Confident	91.8	Very high	47 Å²	47	39.9 Å²	39.9	33%	0.329	21%	0.205	S	C	.	.	S	Bend	trans	-80.1	-12	173.9	-60.8	0	0	0	0	113.9	R604 V644	R604-S646 PolarHBondContact NE-O 3.38Å; R604-S646 VanDerWaalsContact NE-O 3.13Å; R604-S646 PolarHBondContact NH2-O 3.37Å; V644-S646 VanDerWaalsContact C-N 3.28Å; V644-S646 PolarHBondContact O-N 2.99Å
647	D	87.9	Confident	92.3	Very high	50 Å²	50	45.4 Å²	45.4	27%	0.267	23%	0.225	S	C	.	.			trans	-170.5	125.9	-170.8	-177.9	-85	0	0	0	109.3	N645 D649 K650 A651	N645-D647 VanDerWaalsContact C-N 3.29Å; N645-D647 PolarHBondContact OD1-O 3.35Å; D647-D649 PolarHBondContact O-N 2.73Å; D647-D649 WeakPolarHBondContact OD1-CB 3.11Å; D647-D649 PolarHBondContact OD1-N 3.2Å; D647-K650 HydrophobicContact CB-CB 4.21Å; D647-K650 HydrophobicContact CB-CD 4.28Å; D647-K650 HydrophobicContact CB-CG 4.28Å; D647-K650 PolarHBondContact O-N 2.72Å; D647-K650 PolarHBondContact OD1-N 2.81Å; D647-A651 WeakPolarHBondContact O-CB 3.27Å; D647-A651 PolarHBondContact O-N 3.11Å
648	L	88.9	Confident	92.7	Very high	59 Å²	59	44.5 Å²	44.5	31%	0.309	22%	0.221	S	C	.	.	H	α-helix	trans	-71.5	-24.6	-172.8	-78.1	169.8	0	0	0	114.2	E494 L495 R498 N645 Y652	E494-L648 HydrophobicContact CB-CD2 4.19Å; L495-L648 HydrophobicContact CD2-CD2 4.48Å; L495-L648 HydrophobicContact CG-CD2 4.37Å; R498-L648 PolarHBondContact NH1-O 2.67Å; N645-L648 WeakPolarHBondContact ND2-CD2 3.5Å; L648-Y652 WeakPolarHBondContact O-CB 3.41Å; L648-Y652 PolarHBondContact O-N 2.84Å
649	D	92.3	Very high	93	Very high	89 Å²	89	43 Å²	43	48%	0.476	22%	0.216	S	C	.	.	H	α-helix	trans	-74.9	-46.7	175.5	-68.9	-45.7	0	0	0	109.9	R498 D647 Y652 Q653	R498-D649 IonicContact CZ-OD1 2.63Å; R498-D649 IonicContact NH1-OD1 3.38Å; R498-D649 PolarHBondContact NH1-OD1 3.41Å; R498-D649 IonicContact NH2-OD1 2.7Å; R498-D649 PolarHBondContact NH2-OD1 3.38Å; D647-D649 PolarHBondContact O-N 2.73Å; D647-D649 WeakPolarHBondContact OD1-CB 3.11Å; D647-D649 PolarHBondContact OD1-N 3.2Å; D649-Y652 PolarHBondContact O-N 3.41Å; D649-Q653 WeakPolarHBondContact O-CG 3.37Å; D649-Q653 PolarHBondContact O-N 3.46Å
650	K	93.6	Very high	93.2	Very high	158 Å²	158	46 Å²	46	69%	0.687	23%	0.231	S	C	*	.	H	α-helix	trans	-64.5	-44.3	177	-65.5	-175.9	178.5	-168.6	0	112.4	D647 Y652 Q653 E654	D647-K650 HydrophobicContact CB-CB 4.21Å; D647-K650 HydrophobicContact CB-CD 4.28Å; D647-K650 HydrophobicContact CB-CG 4.28Å; D647-K650 PolarHBondContact O-N 2.72Å; D647-K650 PolarHBondContact OD1-N 2.81Å; K650-Y652 VanDerWaalsContact C-N 3.3Å; K650-Y652 PolarHBondContact O-N 3.16Å; K650-Q653 PolarHBondContact O-N 2.88Å; K650-E654 PolarHBondContact O-N 3.27Å
651	A	94.1	Very high	93.4	Very high	4 Å²	4	47 Å²	47	3%	0.033	23%	0.234	C	C	.	.	H	α-helix	trans	-64	-35.4	177.5	0	0	0	0	0	112.2	L495 I643 N645 D647 L655	L495-A651 HydrophobicContact CD1-CB 4.36Å; L495-A651 HydrophobicContact CD2-CB 4.18Å; I643-A651 HydrophobicContact CG2-CB 4.15Å; N645-A651 HydrophobicContact CB-CB 4.27Å; N645-A651 WeakPolarHBondContact OD1-CB 3.49Å; D647-A651 WeakPolarHBondContact O-CB 3.27Å; D647-A651 PolarHBondContact O-N 3.11Å; A651-L655 WeakPolarHBondContact O-CB 3.46Å; A651-L655 PolarHBondContact O-N 2.78Å
652	Y	95.8	Very high	93.5	Very high	9 Å²	9	46 Å²	46	4%	0.035	23%	0.228	C	C	.	.	H	α-helix	trans	-66.4	-46.3	173.5	173.2	-94.1	0	0	0	112.4	R498 L499 N502 L648 D649 K650 L655 L656	R498-Y652 HydrophobicContact CB-CD2 3.96Å; R498-Y652 HydrophobicContact CB-CE2 4Å; R498-Y652 VanDerWaalsContact CD-CD2 3.44Å; R498-Y652 HydrophobicContact CG-CD2 3.63Å; R498-Y652 HydrophobicContact CG-CE2 3.55Å; R498-Y652 HydrophobicContact CG-CG 4.3Å; L499-Y652 HydrophobicContact CD2-CD2 4.19Å; L499-Y652 HydrophobicContact CD2-CE2 3.56Å; L499-Y652 HydrophobicContact CG-CD2 4.32Å; L499-Y652 HydrophobicContact CG-CE2 3.9Å; N502-Y652 WeakPolarHBondContact CB-OH 3.5Å; N502-Y652 PolarHBondContact ND2-OH 3.47Å; L648-Y652 WeakPolarHBondContact O-CB 3.41Å; L648-Y652 PolarHBondContact O-N 2.84Å; D649-Y652 PolarHBondContact O-N 3.41Å; K650-Y652 VanDerWaalsContact C-N 3.3Å; K650-Y652 PolarHBondContact O-N 3.16Å; Y652-L655 PolarHBondContact O-N 2.96Å; Y652-L656 HydrophobicContact CE1-CD2 4.07Å; Y652-L656 WeakPolarHBondContact O-CB 3.27Å; Y652-L656 PolarHBondContact O-N 2.92Å
653	Q	96.3	Very high	93.5	Very high	117 Å²	117	48.4 Å²	48.4	55%	0.547	24%	0.239	S	C	.	.	H	α-helix	trans	-64.7	-41.3	179.5	-68	-63	-17.8	0	0	111.9	D649 K650 L656 R657	D649-Q653 WeakPolarHBondContact O-CG 3.37Å; D649-Q653 PolarHBondContact O-N 3.46Å; K650-Q653 PolarHBondContact O-N 2.88Å; Q653-L656 PolarHBondContact O-N 3.37Å; Q653-R657 WeakPolarHBondContact O-CB 3.19Å; Q653-R657 PolarHBondContact O-N 2.84Å
654	E	95.8	Very high	93.4	Very high	66 Å²	66	53.1 Å²	53.1	31%	0.308	27%	0.268	S	S	.	.	H	α-helix	trans	-67.2	-41.9	176.4	178.9	55.6	-163.2	0	0	112.1	I643 K650 L656 R657 L658	I643-E654 HydrophobicContact CD1-CG 4.39Å; I643-E654 HydrophobicContact CG1-CG 4.42Å; K650-E654 PolarHBondContact O-N 3.27Å; E654-L656 PolarHBondContact O-N 2.87Å; E654-R657 WeakPolarHBondContact O-CB 3.34Å; E654-R657 PolarHBondContact O-N 2.99Å; E654-R657 IonicContact OE1-CZ 3.53Å; E654-R657 IonicContact OE1-NE 3.73Å; E654-R657 IonicContact OE1-NH2 2.73Å; E654-R657 PolarHBondContact OE1-NH2 2.9Å; E654-R657 IonicContact OE2-CZ 3.26Å; E654-R657 IonicContact OE2-NE 2.64Å; E654-R657 PolarHBondContact OE2-NE 2.89Å; E654-R657 IonicContact OE2-NH2 2.93Å; E654-R657 PolarHBondContact OE2-NH2 3.32Å; E654-L658 HydrophobicContact CG-CD1 4.11Å; E654-L658 WeakPolarHBondContact O-CB 3.21Å; E654-L658 VanDerWaalsContact O-CG 3.31Å; E654-L658 WeakPolarHBondContact O-CG 3.07Å; E654-L658 PolarHBondContact O-N 2.83Å
655	L	96.4	Very high	93.4	Very high	0 Å²	0	54.5 Å²	54.5	0%	0	27%	0.271	C	S	.	.	H	α-helix	trans	-60.6	-44.4	173.9	178.9	58.3	0	0	0	111.6	L484 L495 L499 V595 I643 A651 Y652 L658 I659	L484-L655 HydrophobicContact CD1-CD2 4.3Å; L484-L655 HydrophobicContact CD2-CD1 4Å; L484-L655 HydrophobicContact CD2-CD2 4.04Å; L495-L655 HydrophobicContact CB-CD2 4.14Å; L495-L655 HydrophobicContact CD1-CD2 4.44Å; L499-L655 HydrophobicContact CD1-CD2 3.74Å; L499-L655 HydrophobicContact CD1-CG 4.21Å; V595-L655 HydrophobicContact CB-CD1 4.48Å; V595-L655 HydrophobicContact CG1-CD1 4.19Å; V595-L655 HydrophobicContact CG2-CD1 4.26Å; I643-L655 HydrophobicContact CD1-CB 3.77Å; I643-L655 HydrophobicContact CD1-CD1 4.07Å; I643-L655 HydrophobicContact CD1-CG 4.48Å; A651-L655 WeakPolarHBondContact O-CB 3.46Å; A651-L655 PolarHBondContact O-N 2.78Å; Y652-L655 PolarHBondContact O-N 2.96Å; L655-L658 PolarHBondContact O-N 2.88Å; L655-I659 HydrophobicContact CD1-CD1 3.97Å; L655-I659 HydrophobicContact CD1-CG1 4.31Å; L655-I659 HydrophobicContact CG-CD1 3.92Å; L655-I659 WeakPolarHBondContact O-CD1 3.37Å; L655-I659 WeakPolarHBondContact O-CG1 3.45Å; L655-I659 PolarHBondContact O-N 2.86Å
656	L	96.3	Very high	93.5	Very high	15 Å²	15	55.7 Å²	55.7	8%	0.079	28%	0.279	C	S	.	.	H	α-helix	trans	-65.5	-40	177.3	-175	59.7	0	0	0	111.8	L499 F507 Y652 Q653 E654 I659 N660	L499-L656 HydrophobicContact CD2-CD1 4.14Å; F507-L656 HydrophobicContact CZ-CD1 4.49Å; Y652-L656 HydrophobicContact CE1-CD2 4.07Å; Y652-L656 WeakPolarHBondContact O-CB 3.27Å; Y652-L656 PolarHBondContact O-N 2.92Å; Q653-L656 PolarHBondContact O-N 3.37Å; E654-L656 PolarHBondContact O-N 2.87Å; L656-I659 PolarHBondContact O-N 2.83Å; L656-N660 WeakPolarHBondContact O-CB 3.31Å; L656-N660 PolarHBondContact O-N 2.96Å; L656-N660 PolarHBondContact O-ND2 2.69Å; L656-N660 PolarHBondContact O-OD1 3.42Å
657	R	96.1	Very high	93.8	Very high	119 Å²	119	55.1 Å²	55.1	45%	0.449	27%	0.271	S	S	.	.	H	α-helix	trans	-59.3	-47.4	173.9	-170.2	-166.5	70.7	79.2	2	111.3	Q653 E654 N660 K661	Q653-R657 WeakPolarHBondContact O-CB 3.19Å; Q653-R657 PolarHBondContact O-N 2.84Å; E654-R657 WeakPolarHBondContact O-CB 3.34Å; E654-R657 PolarHBondContact O-N 2.99Å; E654-R657 IonicContact OE1-CZ 3.53Å; E654-R657 IonicContact OE1-NE 3.73Å; E654-R657 IonicContact OE1-NH2 2.73Å; E654-R657 PolarHBondContact OE1-NH2 2.9Å; E654-R657 IonicContact OE2-CZ 3.26Å; E654-R657 IonicContact OE2-NE 2.64Å; E654-R657 PolarHBondContact OE2-NE 2.89Å; E654-R657 IonicContact OE2-NH2 2.93Å; E654-R657 PolarHBondContact OE2-NH2 3.32Å; R657-N660 PolarHBondContact O-N 2.96Å; R657-K661 WeakPolarHBondContact O-CB 3.38Å; R657-K661 PolarHBondContact O-N 2.95Å
658	L	95.6	Very high	94.1	Very high	10 Å²	10	55.5 Å²	55.5	5%	0.052	27%	0.269	C	S	.	.	H	α-helix	trans	-63.3	-41.5	177.4	-71.3	164.8	0	0	0	112.2	T641 I643 E654 L655 K661	T641-L658 HydrophobicContact CG2-CD1 3.67Å; T641-L658 HydrophobicContact CG2-CD2 4.14Å; I643-L658 HydrophobicContact CD1-CD1 3.86Å; I643-L658 HydrophobicContact CG1-CD1 4.06Å; E654-L658 HydrophobicContact CG-CD1 4.11Å; E654-L658 WeakPolarHBondContact O-CB 3.21Å; E654-L658 VanDerWaalsContact O-CG 3.31Å; E654-L658 WeakPolarHBondContact O-CG 3.07Å; E654-L658 PolarHBondContact O-N 2.83Å; L655-L658 PolarHBondContact O-N 2.88Å; L658-K661 WeakPolarHBondContact O-CB 3.18Å; L658-K661 PolarHBondContact O-N 3.42Å
659	I	96.2	Very high	94.3	Very high	2 Å²	2	52.7 Å²	52.7	1%	0.01	25%	0.254	C	S	.	.	H	α-helix	trans	-64.2	-43.8	175.8	-68.1	166.8	0	0	0	111.2	I482 L499 F507 I572 L655 L656 K661 L662	I482-I659 HydrophobicContact CD1-CG1 3.95Å; I482-I659 HydrophobicContact CD1-CG2 4.49Å; I482-I659 HydrophobicContact CG1-CD1 4.13Å; I482-I659 HydrophobicContact CG1-CG1 3.93Å; I482-I659 HydrophobicContact CG2-CD1 4.18Å; I482-I659 HydrophobicContact CG2-CG1 4.23Å; L499-I659 HydrophobicContact CD1-CD1 3.94Å; L499-I659 HydrophobicContact CD2-CD1 4.44Å; F507-I659 HydrophobicContact CE1-CD1 4.17Å; F507-I659 HydrophobicContact CE1-CG2 4.12Å; F507-I659 HydrophobicContact CZ-CD1 4.2Å; F507-I659 HydrophobicContact CZ-CG2 4.15Å; I572-I659 HydrophobicContact CD1-CG2 3.84Å; L655-I659 HydrophobicContact CD1-CD1 3.97Å; L655-I659 HydrophobicContact CD1-CG1 4.31Å; L655-I659 HydrophobicContact CG-CD1 3.92Å; L655-I659 WeakPolarHBondContact O-CD1 3.37Å; L655-I659 WeakPolarHBondContact O-CG1 3.45Å; L655-I659 PolarHBondContact O-N 2.86Å; L656-I659 PolarHBondContact O-N 2.83Å; I659-K661 VanDerWaalsContact C-N 3.32Å; I659-K661 PolarHBondContact O-N 3.17Å; I659-L662 WeakPolarHBondContact O-CB 3.16Å; I659-L662 PolarHBondContact O-N 2.98Å
660	N	95	Very high	94.4	Very high	64 Å²	64	48.6 Å²	48.6	34%	0.342	23%	0.233	S	C	.	.	H	α-helix	trans	-63.5	-38.1	177.5	-67.8	-12.5	0	0	0	111.7	R506 L656 R657 L662 D663	R506-N660 PolarHBondContact NH1-OD1 3.27Å; R506-N660 PolarHBondContact NH2-OD1 2.98Å; L656-N660 WeakPolarHBondContact O-CB 3.31Å; L656-N660 PolarHBondContact O-N 2.96Å; L656-N660 PolarHBondContact O-ND2 2.69Å; L656-N660 PolarHBondContact O-OD1 3.42Å; R657-N660 PolarHBondContact O-N 2.96Å; N660-L662 PolarHBondContact O-N 3.41Å; N660-L662 VanDerWaalsContact O-N 3.16Å; N660-D663 PolarHBondContact O-N 2.87Å
661	K	94.4	Very high	94.4	Very high	57 Å²	57	41.1 Å²	41.1	25%	0.248	20%	0.201	C	C	.	.	H	α-helix	trans	-56.8	-28.5	178.2	-159.8	176.6	-168.8	-68.7	0	113.3	R657 L658 I659 D663 T664 E665	R657-K661 WeakPolarHBondContact O-CB 3.38Å; R657-K661 PolarHBondContact O-N 2.95Å; L658-K661 WeakPolarHBondContact O-CB 3.18Å; L658-K661 PolarHBondContact O-N 3.42Å; I659-K661 VanDerWaalsContact C-N 3.32Å; I659-K661 PolarHBondContact O-N 3.17Å; K661-D663 PolarHBondContact O-N 3.44Å; K661-T664 PolarHBondContact O-N 3.27Å; K661-T664 PolarHBondContact O-OG1 2.89Å; K661-E665 WeakPolarHBondContact CE-OE1 3.28Å; K661-E665 HydrophobicContact CG-CB 4.38Å; K661-E665 WeakPolarHBondContact CG-OE1 3.39Å; K661-E665 IonicContact NZ-OE1 2.69Å; K661-E665 PolarHBondContact NZ-OE1 3.46Å; K661-E665 IonicContact NZ-OE2 3.73Å; K661-E665 PolarHBondContact NZ-OE2 3.37Å; K661-E665 PolarHBondContact O-N 2.7Å
662	L	94.3	Very high	94.3	Very high	4 Å²	4	45.8 Å²	45.8	2%	0.021	23%	0.229	C	C	.	.	T	Hydrogen-bonded Turn	trans	-65	-25.1	177.8	-56.4	-179.3	0	0	0	113.6	Q474 I482 Y593 I659 N660 Q667	Q474-L662 WeakPolarHBondContact CB-O 3.37Å; I482-L662 HydrophobicContact CD1-CD1 3.55Å; Y593-L662 HydrophobicContact CD1-CD1 4.07Å; Y593-L662 HydrophobicContact CD1-CD2 4.4Å; Y593-L662 HydrophobicContact CD2-CD1 4.45Å; Y593-L662 HydrophobicContact CD2-CD2 3.72Å; Y593-L662 HydrophobicContact CE1-CD2 4.39Å; Y593-L662 HydrophobicContact CE2-CD2 3.72Å; Y593-L662 HydrophobicContact CG-CD1 3.98Å; Y593-L662 HydrophobicContact CG-CD2 4.08Å; I659-L662 WeakPolarHBondContact O-CB 3.16Å; I659-L662 PolarHBondContact O-N 2.98Å; N660-L662 PolarHBondContact O-N 3.41Å; N660-L662 VanDerWaalsContact O-N 3.16Å; L662-Q667 HydrophobicContact CD2-CG 3.56Å
663	D	92.2	Very high	94.2	Very high	66 Å²	66	46.7 Å²	46.7	35%	0.353	23%	0.232	S	C	.	.	T	Hydrogen-bonded Turn	trans	-85.5	-16	179.9	-81.6	-24.2	0	0	0	113.3	Q474 K479 N660 K661	Q474-D663 PolarHBondContact NE2-OD1 3Å; K479-D663 IonicContact NZ-OD1 3.13Å; K479-D663 PolarHBondContact NZ-OD1 2.78Å; K479-D663 IonicContact NZ-OD2 2.77Å; K479-D663 PolarHBondContact NZ-OD2 2.62Å; N660-D663 PolarHBondContact O-N 2.87Å; K661-D663 PolarHBondContact O-N 3.44Å
664	T	91.8	Very high	93.9	Very high	109 Å²	109	44.7 Å²	44.7	67%	0.669	23%	0.225	S	C	*	.	T	Hydrogen-bonded Turn	trans	-111.2	-35.5	-178.8	54	0	0	0	0	113.5	K661	K661-T664 PolarHBondContact O-N 3.27Å; K661-T664 PolarHBondContact O-OG1 2.89Å
665	E	91.6	Very high	93.3	Very high	87 Å²	87	52.3 Å²	52.3	41%	0.407	25%	0.251	S	S	.	.	S	Bend	trans	-118.5	132.6	-173.7	-68.6	178.7	-105.5	0	0	112.1	K661 Q667	K661-E665 WeakPolarHBondContact CE-OE1 3.28Å; K661-E665 HydrophobicContact CG-CB 4.38Å; K661-E665 WeakPolarHBondContact CG-OE1 3.39Å; K661-E665 IonicContact NZ-OE1 2.69Å; K661-E665 PolarHBondContact NZ-OE1 3.46Å; K661-E665 IonicContact NZ-OE2 3.73Å; K661-E665 PolarHBondContact NZ-OE2 3.37Å; K661-E665 PolarHBondContact O-N 2.7Å; E665-Q667 PolarHBondContact O-NE2 2.89Å
666	P	92.3	Very high	93.2	Very high	38 Å²	38	54.9 Å²	54.9	25%	0.247	26%	0.263	C	S	.	.			trans	-62.6	150.2	173.3	28.5	-33.6	0	0	0	110.8	L471 Y472	L471-P666 HydrophobicContact CB-CB 4.19Å; L471-P666 HydrophobicContact CD1-CG 4.43Å; L471-P666 HydrophobicContact CD2-CB 4.23Å; L471-P666 HydrophobicContact CD2-CG 4.36Å; Y472-P666 WeakPolarHBondContact O-CA 3.23Å
667	Q	93.6	Very high	93	Very high	34 Å²	34	57 Å²	57	16%	0.159	27%	0.273	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.8	143.5	177.3	-55.9	-55.9	-61.6	0	0	110.3	Y472 L662 E665 V669	Y472-Q667 PolarHBondContact N-O 2.6Å; Y472-Q667 PolarHBondContact O-N 3.06Å; L662-Q667 HydrophobicContact CD2-CG 3.56Å; E665-Q667 PolarHBondContact O-NE2 2.89Å; Q667-V669 PolarHBondContact O-N 2.83Å
668	W	93	Very high	92.8	Very high	58 Å²	58	53.6 Å²	53.6	22%	0.22	26%	0.263	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-63.6	115	167.8	-68.3	117.6	0	0	0	110.1	H349 I378 D395 M469 L471	H349-W668 HydrophobicContact CB-CE3 4.44Å; H349-W668 HydrophobicContact CB-CH2 3.94Å; H349-W668 HydrophobicContact CB-CZ3 3.63Å; H349-W668 AromaticContact CE1-CH2 3.87Å; H349-W668 AromaticContact CG-CH2 3.62Å; H349-W668 AromaticContact CG-CZ3 3.69Å; H349-W668 AromaticContact ND1-CH2 3.3Å; H349-W668 VanDerWaalsContact ND1-CH2 3.3Å; H349-W668 WeakPolarHBondContact ND1-CH2 3.4Å; H349-W668 AromaticContact ND1-CZ3 3.89Å; I378-W668 HydrophobicContact CD1-CB 4.24Å; I378-W668 HydrophobicContact CD1-CD2 4.48Å; I378-W668 HydrophobicContact CD1-CG 4.02Å; I378-W668 HydrophobicContact CG1-CD2 4.47Å; I378-W668 HydrophobicContact CG1-CG 4.08Å; I378-W668 HydrophobicContact CG2-CD2 4.33Å; I378-W668 HydrophobicContact CG2-CZ2 4.08Å; D395-W668 PolarHBondContact OD2-NE1 3.44Å; M469-W668 HydrophobicContact CB-CE3 3.9Å; M469-W668 VanDerWaalsContact CE-C 3.44Å; M469-W668 HydrophobicContact CE-CB 3.8Å; M469-W668 WeakPolarHBondContact CE-O 3.47Å; L471-W668 HydrophobicContact CD1-CH2 4.28Å; L471-W668 HydrophobicContact CD2-CD2 3.59Å; L471-W668 HydrophobicContact CD2-CE3 3.79Å; L471-W668 HydrophobicContact CD2-CG 4.13Å; L471-W668 HydrophobicContact CD2-CH2 4.02Å; L471-W668 HydrophobicContact CD2-CZ2 3.88Å; L471-W668 HydrophobicContact CD2-CZ3 4.01Å; L471-W668 HydrophobicContact CG-CD2 4.25Å; L471-W668 HydrophobicContact CG-CE3 3.96Å; L471-W668 HydrophobicContact CG-CH2 3.75Å; L471-W668 HydrophobicContact CG-CZ2 4.09Å; L471-W668 HydrophobicContact CG-CZ3 3.71Å
669	V	94.6	Very high	92.7	Very high	0 Å²	0	56.1 Å²	56.1	0%	0	28%	0.275	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120	159.3	172.3	-60.2	0	0	0	0	110.3	M469 S470 Y472 Q667 S671 W673 L674	M469-V669 CarbonylContact C-O 3.57Å; M469-V669 VanDerWaalsContact CA-O 3.29Å; M469-V669 WeakPolarHBondContact CA-O 3.4Å; M469-V669 VanDerWaalsContact CE-C 3.44Å; S470-V669 PolarHBondContact N-O 3.14Å; S470-V669 PolarHBondContact O-N 2.91Å; Y472-V669 VanDerWaalsContact CB-CG2 3.48Å; Y472-V669 HydrophobicContact CD1-CG1 4.47Å; Y472-V669 HydrophobicContact CG-CG2 4.31Å; Q667-V669 PolarHBondContact O-N 2.83Å; V669-S671 PolarHBondContact O-N 2.8Å; V669-W673 HydrophobicContact CB-CE3 3.65Å; V669-W673 HydrophobicContact CB-CZ3 3.97Å; V669-W673 HydrophobicContact CG1-CE3 3.97Å; V669-W673 HydrophobicContact CG1-CZ3 3.92Å; V669-W673 HydrophobicContact CG2-CE3 4.3Å; V669-L674 HydrophobicContact CG2-CD1 4.23Å; V669-L674 HydrophobicContact CG2-CD2 4.36Å; V669-L674 HydrophobicContact CG2-CG 4.25Å
670	P	94.1	Very high	92.4	Very high	4 Å²	4	59.5 Å²	59.5	3%	0.026	29%	0.292	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-56.9	132.6	175.1	-25.4	35.5	0	0	0	111.9	E467 E468 T672 W673	E467-P670 HydrophobicContact CG-CB 4.46Å; E467-P670 WeakPolarHBondContact OE1-CG 3.24Å; E468-P670 CarbonylContact O-C 3.41Å; E468-P670 WeakPolarHBondContact O-CA 3.38Å; P670-T672 PolarHBondContact O-N 2.72Å; P670-T672 VanDerWaalsContact O-N 3.09Å; P670-W673 HydrophobicContact CG-CD2 4.36Å; P670-W673 HydrophobicContact CG-CZ2 4.33Å; P670-W673 WeakPolarHBondContact O-CB 3.4Å; P670-W673 PolarHBondContact O-N 3.42Å
671	S	92.9	Very high	92.3	Very high	1 Å²	1	59.2 Å²	59.2	1%	0.007	29%	0.289	C	S	.	.	G	3₁₀ helix	trans	-56.9	-28.4	179.8	-62.1	0	0	0	0	112.6	E468 M469 S470 V669 W673 L674 R675	E468-S671 PolarHBondContact O-N 2.89Å; E468-S671 WeakPolarHBondContact OE1-CB 3.43Å; E468-S671 PolarHBondContact OE1-OG 2.95Å; M469-S671 PolarHBondContact N-OG 2.93Å; M469-S671 PolarHBondContact O-OG 2.84Å; M469-S671 VanDerWaalsContact O-OG 3.11Å; S470-S671 PolarHBondContact OG-OG 3.08Å; V669-S671 PolarHBondContact O-N 2.8Å; S671-W673 PolarHBondContact O-N 3.13Å; S671-L674 PolarHBondContact O-N 3.1Å; S671-R675 PolarHBondContact O-N 2.75Å
672	T	91.8	Very high	92.1	Very high	102 Å²	102	59.4 Å²	59.4	63%	0.626	29%	0.292	S	S	*	.	G	3₁₀ helix	trans	-63	-15.7	174.9	52.2	0	0	0	0	114.1	P670	P670-T672 PolarHBondContact O-N 2.72Å; P670-T672 VanDerWaalsContact O-N 3.09Å
673	W	93.3	Very high	91.9	Very high	27 Å²	27	63.6 Å²	63.6	10%	0.102	31%	0.312	C	S	.	.	G	3₁₀ helix	trans	-81.8	-14	172.5	-69.2	-1.2	0	0	0	113.3	R586 K591 P592 V669 P670 S671	R586-W673 HydrophobicContact CB-CZ2 4.29Å; R586-W673 HydrophobicContact CG-CZ2 4.12Å; R586-W673 PolarHBondContact O-NE1 2.98Å; K591-W673 HydrophobicContact CB-CE3 3.88Å; K591-W673 HydrophobicContact CB-CZ3 4.13Å; K591-W673 WeakPolarHBondContact CE-O 3.23Å; K591-W673 HydrophobicContact CG-CB 4.26Å; K591-W673 HydrophobicContact CG-CD2 4.16Å; K591-W673 HydrophobicContact CG-CE3 3.76Å; K591-W673 HydrophobicContact CG-CG 4.4Å; K591-W673 HydrophobicContact CG-CZ3 4.5Å; K591-W673 PolarHBondContact NZ-O 2.85Å; P592-W673 HydrophobicContact CG-CH2 3.87Å; P592-W673 HydrophobicContact CG-CZ2 4.26Å; V669-W673 HydrophobicContact CB-CE3 3.65Å; V669-W673 HydrophobicContact CB-CZ3 3.97Å; V669-W673 HydrophobicContact CG1-CE3 3.97Å; V669-W673 HydrophobicContact CG1-CZ3 3.92Å; V669-W673 HydrophobicContact CG2-CE3 4.3Å; P670-W673 HydrophobicContact CG-CD2 4.36Å; P670-W673 HydrophobicContact CG-CZ2 4.33Å; P670-W673 WeakPolarHBondContact O-CB 3.4Å; P670-W673 PolarHBondContact O-N 3.42Å; S671-W673 PolarHBondContact O-N 3.13Å
674	L	90.8	Very high	91.9	Very high	76 Å²	76	63.4 Å²	63.4	40%	0.398	31%	0.309	S	S	.	.			trans	-115.2	0.2	-174.9	-51	-174.2	0	0	0	113.7	Y472 V669 S671	Y472-L674 HydrophobicContact CD2-CD2 3.56Å; Y472-L674 HydrophobicContact CE2-CD2 4.18Å; Y472-L674 HydrophobicContact CG-CD2 4.3Å; V669-L674 HydrophobicContact CG2-CD1 4.23Å; V669-L674 HydrophobicContact CG2-CD2 4.36Å; V669-L674 HydrophobicContact CG2-CG 4.25Å; S671-L674 PolarHBondContact O-N 3.1Å
675	R	83.3	Confident	91.9	Very high	225 Å²	225	59.3 Å²	59.3	85%	0.849	28%	0.276	S	S	*	.			trans	-96.9	0	175.8	-72.4	179.2	174	140.3	8.4	111.9	E468 S671	E468-R675 VanDerWaalsContact CD-NH2 3.35Å; E468-R675 IonicContact OE1-CZ 2.69Å; E468-R675 IonicContact OE1-NH1 2.81Å; E468-R675 PolarHBondContact OE1-NH1 2.8Å; E468-R675 IonicContact OE1-NH2 3.17Å; E468-R675 PolarHBondContact OE1-NH2 2.73Å; E468-R675 IonicContact OE2-CZ 2.69Å; E468-R675 IonicContact OE2-NH1 3.97Å; E468-R675 PolarHBondContact OE2-NH1 3.34Å; E468-R675 IonicContact OE2-NH2 3.98Å; E468-R675 PolarHBondContact OE2-NH2 3.14Å; S671-R675 PolarHBondContact O-N 2.75Å

Retrieved 675 of 675 residues in 969.7 ms (Link to these results)

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