A0A077YXK0_TRITR Loading...

Endoplasmin

AlphaFold DB , UniProt , Accession A0A077YXK0, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 813 aa.

						>A0A077YXK0_TRITR|A0A077YXK0
MNRSPSVLWFLCSVVIPLAILFGPHGSASAEETKKEPTVSPDLGKHKEGSRTDDETAQREEEAVKLDGLNVSEMKELRKKAEHHSFQAEVTRMMKLIINSLYRNKEIFLRELISNSSDALDKIRLLSLTDPSVLESKPELSADKENHILHVIDTGIGMTKNELVSNLGTIAKSGTSDFVTKFMEATPAEQQDLIGQFGVGFYSGFLVADRIVVTSKHNDDVQHIWESDAGSFSVVKDPRSDNQLGRGTIVSLHMKEESRNFLELDTLEELVKKYSQFINFNIFLWKSKVVEVEEPEEAEKKEELGDEEEGKVEDVKEEKQKTKKTKKTVWDWELINDTKPIWLRKRDQIDENEYVEFYKSLTRSPEAPLAYTHFTAEGEVSFKSILFIPDKAPSDLYRDYSRKTQNIKLYVRRVFISDDFEDFMPKYLSFVKGIVDSDDLPLNVSRETLQQNKLIKVIKKKLVRKLLDLLKKLPADKFERFWKEYGNALKMGVFEDPTNRTRLSKLIRFQSSHHPSNLTSLGEYVERMSERQKVIYYLAGTSREEVESSPFVERLLKKGIEVLFLVDPVDEYCMNSLPEFDGKKFQNVAKEGLNLEVGEKGKERQEKLEKDYSDLILWLKDSALKDKIEKAVISQRLTKSPCALVASAWGWSGNMERLMRSQAYSKSHDPTHEYYLKEKKVLEINPYHPVIKELKQRVDSDKEDKLALSTARLLLDAATLRSGYLLRDSADFADRIDVMLKSALNLNPDEKAEEFEEEREEDLPPIPKEEPIDLDTYVPHFMKDKEKGEKEEKGEKEEKEEKKEEKQEEHSEL
					

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(Predicted Aligned Error values between residue pairs)

Download Structure PDB PAE Table

Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	36.8	Very low	35.5	Very low	242 Å²	242	161.5 Å²	161.5	100%	1.192	82%	0.821	S	S	*	*				0	139.1	0	-79.9	155.4	105.7	0	0	107.5
2	N	42.5	Very low	35.7	Very low	175 Å²	175	158.2 Å²	158.2	94%	0.936	82%	0.821	S	S	*	*			trans	67.8	106.8	-158.6	-70.6	-1.2	0	0	0	115.5
3	R	36.4	Very low	35.6	Very low	248 Å²	248	153.3 Å²	153.3	94%	0.936	81%	0.809	S	S	*	*			trans	-106.6	146.1	-164.9	-71.1	176.6	164.4	176.7	-4.1	109.9
4	S	35	Very low	35.8	Very low	107 Å²	107	151.4 Å²	151.4	75%	0.748	81%	0.806	S	S	*	*			trans	-75.8	172.8	150.9	72.2	0	0	0	0	109.8
5	P	42.2	Very low	35.9	Very low	111 Å²	111	149.5 Å²	149.5	72%	0.721	80%	0.802	S	S	*	*				-156.5	156.9	94.7	40.8	-20.7	0	0	0	118.1
6	S	36.6	Very low	35.9	Very low	97 Å²	97	149.7 Å²	149.7	68%	0.678	80%	0.801	S	S	*	*			trans	53.4	115.1	134	66.3	0	0	0	0	123.8
7	V	33	Very low	36.4	Very low	120 Å²	120	147.2 Å²	147.2	73%	0.727	79%	0.794	S	S	*	*				26.3	124.6	117.8	-171.7	0	0	0	0	119
8	L	32.6	Very low	36.2	Very low	165 Å²	165	147.6 Å²	147.6	86%	0.864	80%	0.795	S	S	*	*			trans	-143.1	127.2	146.8	-131.3	103.5	0	0	0	111.9
9	W	29.6	Very low	36.4	Very low	198 Å²	198	145.5 Å²	145.5	75%	0.75	80%	0.8	S	S	*	*			trans	-73.2	149.6	172.7	-81.3	38.3	0	0	0	112.1	L11	W9-L11 HydrophobicContact CE3-CD1 3.85Å; W9-L11 HydrophobicContact CZ3-CD1 3.51Å
10	F	36	Very low	36.4	Very low	192 Å²	192	144.3 Å²	144.3	84%	0.842	79%	0.791	S	S	*	*			trans	-139.5	118.6	149.1	-116.5	-85.8	0	0	0	110.7
11	L	29.4	Very low	36.5	Very low	122 Å²	122	145.4 Å²	145.4	64%	0.639	80%	0.795	S	S	*	*			trans	-117.8	119.7	177	-136.1	151.3	0	0	0	104.8	W9	W9-L11 HydrophobicContact CE3-CD1 3.85Å; W9-L11 HydrophobicContact CZ3-CD1 3.51Å
12	C	38	Very low	36.7	Very low	121 Å²	121	142.9 Å²	142.9	82%	0.818	78%	0.778	S	S	*	*			trans	-122.9	103.1	164.5	-94.4	0	0	0	0	108.4
13	S	35.1	Very low	36.4	Very low	95 Å²	95	138 Å²	138	66%	0.664	77%	0.768	S	S	*	*			trans	-67.7	155.2	166.5	42.3	0	0	0	0	112.7
14	V	37.9	Very low	36.7	Very low	126 Å²	126	131.6 Å²	131.6	76%	0.764	76%	0.759	S	S	*	*				160.6	111.5	121.1	160.3	0	0	0	0	112.2
15	V	37.4	Very low	36.7	Very low	123 Å²	123	135.8 Å²	135.8	75%	0.745	77%	0.767	S	S	*	*			trans	74.3	108.9	137.9	-179.3	0	0	0	0	118.6
16	I	36.7	Very low	36.3	Very low	153 Å²	153	134.1 Å²	134.1	79%	0.785	77%	0.769	S	S	*	*				60.7	145.8	60.3	-57.6	-177.6	0	0	0	113.6
17	P	42.9	Very low	36.1	Very low	107 Å²	107	135.6 Å²	135.6	70%	0.695	78%	0.78	S	S	*	*			cis	-129.7	156	-2.6	21	3.7	0	0	0	115.4
18	L	33.6	Very low	36.2	Very low	155 Å²	155	134.6 Å²	134.6	81%	0.812	78%	0.784	S	S	*	*				56.9	111.3	98.1	-138.4	90.8	0	0	0	117.1
19	A	39.5	Very low	36.1	Very low	107 Å²	107	132.5 Å²	132.5	88%	0.884	78%	0.784	S	S	*	*			trans	-149.4	111.2	148.8	0	0	0	0	0	110.3
20	I	36.7	Very low	36.5	Very low	122 Å²	122	127.8 Å²	127.8	63%	0.626	79%	0.786	S	S	*	*			trans	-86.8	139.2	166.8	-68.6	163.7	0	0	0	106.7	F22	I20-F22 HydrophobicContact CG2-CD2 4.46Å; I20-F22 HydrophobicContact CG2-CE2 4.46Å
21	L	39.5	Very low	36.4	Very low	168 Å²	168	127.3 Å²	127.3	88%	0.88	79%	0.787	S	S	*	*			trans	-167.5	126.3	141.4	-102.1	154.6	0	0	0	112.7
22	F	39.3	Very low	36.8	Very low	189 Å²	189	130 Å²	130	83%	0.829	80%	0.796	S	S	*	*			trans	-38.6	152.2	167.3	-72.7	-102.2	0	0	0	118.2	I20	I20-F22 HydrophobicContact CG2-CD2 4.46Å; I20-F22 HydrophobicContact CG2-CE2 4.46Å
23	G	36.2	Very low	36.7	Very low	71 Å²	71	130.4 Å²	130.4	73%	0.732	80%	0.795	S	S	*	*				119.2	154.6	126.2	0	0	0	0	0	117.9
24	P	42.7	Very low	36.6	Very low	114 Å²	114	135.4 Å²	135.4	74%	0.74	81%	0.805	S	S	*	*				-130.1	-179.5	-129.6	43.5	-28.7	0	0	0	115.6
25	H	35.1	Very low	36.6	Very low	195 Å²	195	139.1 Å²	139.1	90%	0.903	81%	0.811	S	S	*	*			trans	61.8	124.5	162.9	-73.1	69.1	0	0	0	118.9
26	G	35.4	Very low	36.7	Very low	76 Å²	76	140.5 Å²	140.5	78%	0.784	81%	0.809	S	S	*	*			trans	176.4	88.9	166.6	0	0	0	0	0	113.2
27	S	30.9	Very low	36.9	Very low	129 Å²	129	139 Å²	139	90%	0.902	81%	0.809	S	S	*	*			trans	-60.9	126	158.5	51	0	0	0	0	109.8
28	A	35.4	Very low	36.7	Very low	98 Å²	98	139.6 Å²	139.6	81%	0.81	81%	0.811	S	S	*	*			trans	-142	113.1	166	0	0	0	0	0	109.6
29	S	31.4	Very low	37.1	Very low	122 Å²	122	138.5 Å²	138.5	85%	0.853	81%	0.811	S	S	*	*			trans	-63.7	133	160.2	-177.5	0	0	0	0	108.7
30	A	38.4	Very low	37.2	Very low	98 Å²	98	136.4 Å²	136.4	81%	0.81	79%	0.79	S	S	*	*			trans	-142.7	108.6	162.1	0	0	0	0	0	107.9
31	E	33.5	Very low	37.5	Very low	182 Å²	182	137.2 Å²	137.2	85%	0.85	80%	0.803	S	S	*	*			trans	-54.5	131.1	160.6	-71.8	170.1	124.5	0	0	109.6
32	E	37.6	Very low	37.7	Very low	180 Å²	180	135.4 Å²	135.4	84%	0.841	79%	0.794	S	S	*	*			trans	-160.4	107.8	145.4	-114.3	169.9	-165.4	0	0	111.8
33	T	36.5	Very low	37.5	Very low	129 Å²	129	132.9 Å²	132.9	79%	0.791	79%	0.788	S	S	*	*			trans	62.8	99.7	145.6	53.3	0	0	0	0	119.9	K35	T33-K35 PolarHBondContact O-N 2.82Å
34	K	31.9	Very low	37.6	Very low	199 Å²	199	133.3 Å²	133.3	87%	0.865	79%	0.793	S	S	*	*			trans	-49.6	117.7	155.9	-74.9	175.5	172	-179.5	0	111.8
35	K	37.9	Very low	37.5	Very low	204 Å²	204	136.7 Å²	136.7	89%	0.887	80%	0.796	S	S	*	*			trans	-128.8	103.6	146	-86.1	-175.8	176.7	176.9	0	107.6	T33	T33-K35 PolarHBondContact O-N 2.82Å
36	E	38.8	Very low	37.6	Very low	152 Å²	152	135 Å²	135	71%	0.71	79%	0.788	S	S	*	*			trans	-60.7	132.2	168.7	-68.7	173.9	169.8	0	0	108.9	T38	E36-T38 VanDerWaalsContact C-N 3.27Å; E36-T38 PolarHBondContact O-N 2.86Å
37	P	41.1	Very low	37.9	Very low	121 Å²	121	141.1 Å²	141.1	79%	0.786	79%	0.793	S	S	*	*			trans	-74.9	91.8	160.5	30.5	-26.9	0	0	0	106.9	V39	P37-V39 PolarHBondContact O-N 3.06Å
38	T	40.2	Very low	38.3	Very low	121 Å²	121	142.4 Å²	142.4	74%	0.742	79%	0.785	S	S	*	*			trans	-61.8	103.4	161.8	39.5	0	0	0	0	108	E36 S40	E36-T38 VanDerWaalsContact C-N 3.27Å; E36-T38 PolarHBondContact O-N 2.86Å; T38-S40 PolarHBondContact O-N 3.12Å
39	V	41.1	Very low	38.3	Very low	132 Å²	132	141.4 Å²	141.4	80%	0.8	78%	0.784	S	S	*	*			trans	-69.5	111	165.9	179	0	0	0	0	106.9	P37	P37-V39 PolarHBondContact O-N 3.06Å
40	S	42.1	Very low	38.9	Very low	63 Å²	63	139.7 Å²	139.7	44%	0.441	77%	0.772	S	S	.	*			trans	-59	125.5	175.5	54.3	0	0	0	0	110.6	T38 D42 L43	T38-S40 PolarHBondContact O-N 3.12Å; S40-D42 PolarHBondContact O-N 3.19Å; S40-L43 WeakPolarHBondContact OG-CD1 3.21Å
41	P	42.2	Very low	39.1	Very low	139 Å²	139	143.1 Å²	143.1	90%	0.903	76%	0.764	S	S	*	*	T	Hydrogen-bonded Turn	trans	-81.5	43.2	-177	33.7	-34.5	0	0	0	113.2
42	D	43.3	Very low	39.9	Very low	129 Å²	129	138.9 Å²	138.9	69%	0.69	75%	0.751	S	S	*	*	T	Hydrogen-bonded Turn	trans	-147	22.8	-177.7	-145.2	7.2	0	0	0	116	S40	S40-D42 PolarHBondContact O-N 3.19Å
43	L	36.8	Very low	40.7	Very low	136 Å²	136	135.8 Å²	135.8	71%	0.712	74%	0.74	S	S	*	*			trans	-99.3	14.2	-179.8	-81.5	160.7	0	0	0	114.8	S40	S40-L43 WeakPolarHBondContact OG-CD1 3.21Å
44	G	37.1	Very low	41.6	Very low	81 Å²	81	134.6 Å²	134.6	84%	0.835	73%	0.729	S	S	*	*	S	Bend	trans	-92.5	12.3	180	0	0	0	0	0	116.1
45	K	41.3	Very low	42.6	Very low	184 Å²	184	129.7 Å²	129.7	80%	0.8	71%	0.709	S	S	*	*			trans	-126.5	12.3	-175.3	-83.3	-174.5	179.6	174.1	0	116.4
46	H	35.9	Very low	43.5	Very low	159 Å²	159	123 Å²	123	74%	0.736	69%	0.685	S	S	*	*			trans	-96.5	106.3	175.6	-87.5	-81.3	0	0	0	112.8	E48	H46-E48 VanDerWaalsContact C-N 3.29Å; H46-E48 PolarHBondContact O-N 2.95Å; H46-E48 VanDerWaalsContact O-N 3.17Å
47	K	42.2	Very low	44.5	Very low	206 Å²	206	118.2 Å²	118.2	90%	0.896	67%	0.672	S	S	*	*	T	Hydrogen-bonded Turn	trans	-85.3	41.8	-171.6	-143.6	-177.9	-170	-175.2	0	113.3
48	E	38.9	Very low	45.4	Very low	156 Å²	156	118 Å²	118	73%	0.729	66%	0.66	S	S	*	*	T	Hydrogen-bonded Turn	trans	-136.3	10.8	-172.9	-77.9	-174.8	149.1	0	0	115.9	H46 S50	H46-E48 VanDerWaalsContact C-N 3.29Å; H46-E48 PolarHBondContact O-N 2.95Å; H46-E48 VanDerWaalsContact O-N 3.17Å; E48-S50 PolarHBondContact O-N 3.33Å
49	G	37.2	Very low	46.3	Very low	76 Å²	76	120.5 Å²	120.5	78%	0.784	66%	0.656	S	S	*	*	S	Bend	trans	-87.7	7.2	-177.3	0	0	0	0	0	117.5
50	S	42.3	Very low	47.2	Very low	87 Å²	87	120.5 Å²	120.5	61%	0.608	65%	0.647	S	S	*	*			trans	-124.6	42	-172.5	-172.4	0	0	0	0	112.8	E48	E48-S50 PolarHBondContact O-N 3.33Å
51	R	43.7	Very low	47.9	Very low	170 Å²	170	121.9 Å²	121.9	64%	0.642	65%	0.647	S	S	*	*	S	Bend	trans	-107.5	-7.1	173.4	-71.9	179.6	76.7	152.4	2.4	113.6	E55	R51-E55 WeakPolarHBondContact O-CB 3.37Å; R51-E55 WeakPolarHBondContact O-CG 3.22Å; R51-E55 PolarHBondContact O-N 3.19Å
52	T	49.7	Very low	48.6	Very low	93 Å²	93	121 Å²	121	57%	0.571	63%	0.631	S	S	*	*	H	α-helix	trans	-76.9	-31.1	179.3	49.4	0	0	0	0	112.5	T56	T52-T56 WeakPolarHBondContact O-CB 3.41Å; T52-T56 PolarHBondContact O-N 3.39Å; T52-T56 PolarHBondContact O-OG1 2.96Å
53	D	54.3	Low	49.4	Very low	114 Å²	114	118.5 Å²	118.5	61%	0.61	63%	0.628	S	S	*	*	H	α-helix	trans	-78.5	-36.7	178.9	-70.8	-2.4	0	0	0	112.2	E55 T56 A57	D53-E55 VanDerWaalsContact C-N 3.34Å; D53-E55 PolarHBondContact O-N 3.31Å; D53-T56 PolarHBondContact O-N 2.99Å; D53-A57 WeakPolarHBondContact O-CB 3.45Å; D53-A57 PolarHBondContact O-N 3.48Å
54	D	54.8	Low	50.3	Low	105 Å²	105	114.9 Å²	114.9	56%	0.561	61%	0.611	S	S	*	*	H	α-helix	trans	-64.9	-38	173.5	-73.1	-16.3	0	0	0	111.7	Q58	D54-Q58 WeakPolarHBondContact O-CB 3.32Å; D54-Q58 VanDerWaalsContact O-CG 3.25Å; D54-Q58 WeakPolarHBondContact O-CG 3.38Å; D54-Q58 PolarHBondContact O-N 2.93Å
55	E	53.9	Low	51.1	Low	95 Å²	95	119.9 Å²	119.9	44%	0.444	61%	0.61	S	S	.	*	H	α-helix	trans	-74	-27.3	173.8	-74.6	-175.5	-176.7	0	0	112.7	R51 D53 R59	R51-E55 WeakPolarHBondContact O-CB 3.37Å; R51-E55 WeakPolarHBondContact O-CG 3.22Å; R51-E55 PolarHBondContact O-N 3.19Å; D53-E55 VanDerWaalsContact C-N 3.34Å; D53-E55 PolarHBondContact O-N 3.31Å; E55-R59 WeakPolarHBondContact O-CB 3.45Å; E55-R59 WeakPolarHBondContact O-CG 3.43Å; E55-R59 PolarHBondContact O-N 3.48Å
56	T	56.6	Low	51.6	Low	63 Å²	63	116.3 Å²	116.3	39%	0.387	60%	0.599	S	S	.	*	H	α-helix	trans	-75.9	-42.4	175.9	-54.9	0	0	0	0	111	T52 D53 Q58 R59 E60	T52-T56 WeakPolarHBondContact O-CB 3.41Å; T52-T56 PolarHBondContact O-N 3.39Å; T52-T56 PolarHBondContact O-OG1 2.96Å; D53-T56 PolarHBondContact O-N 2.99Å; T56-Q58 VanDerWaalsContact C-N 3.33Å; T56-Q58 PolarHBondContact O-N 3.37Å; T56-R59 PolarHBondContact O-N 3.1Å; T56-E60 WeakPolarHBondContact O-CB 3.42Å; T56-E60 WeakPolarHBondContact O-CG 3.46Å; T56-E60 PolarHBondContact O-N 3.13Å
57	A	59.9	Low	52.6	Low	52 Å²	52	116.2 Å²	116.2	43%	0.43	60%	0.604	S	S	.	*	H	α-helix	trans	-61.5	-40.5	171.3	0	0	0	0	0	111.7	D53 E60 E61	D53-A57 WeakPolarHBondContact O-CB 3.45Å; D53-A57 PolarHBondContact O-N 3.48Å; A57-E60 PolarHBondContact O-N 3.35Å; A57-E61 WeakPolarHBondContact O-CB 3.28Å; A57-E61 WeakPolarHBondContact O-CG 3.41Å; A57-E61 PolarHBondContact O-N 2.88Å
58	Q	59.3	Low	53.7	Low	116 Å²	116	110.4 Å²	110.4	54%	0.542	60%	0.603	S	S	.	*	H	α-helix	trans	-64.5	-40.5	173.1	-76.7	174.9	12.3	0	0	112.5	D54 T56 E61 E62	D54-Q58 WeakPolarHBondContact O-CB 3.32Å; D54-Q58 VanDerWaalsContact O-CG 3.25Å; D54-Q58 WeakPolarHBondContact O-CG 3.38Å; D54-Q58 PolarHBondContact O-N 2.93Å; T56-Q58 VanDerWaalsContact C-N 3.33Å; T56-Q58 PolarHBondContact O-N 3.37Å; Q58-E61 PolarHBondContact O-N 3.04Å; Q58-E62 WeakPolarHBondContact O-CB 3.44Å; Q58-E62 WeakPolarHBondContact O-CG 3.39Å; Q58-E62 PolarHBondContact O-N 3.05Å
59	R	59.1	Low	55	Low	174 Å²	174	106 Å²	106	66%	0.657	58%	0.584	S	S	*	*	H	α-helix	trans	-67.5	-36	175.2	-82.3	178.1	178.6	170.2	4.8	113.3	E55 T56 E62 A63	E55-R59 WeakPolarHBondContact O-CB 3.45Å; E55-R59 WeakPolarHBondContact O-CG 3.43Å; E55-R59 PolarHBondContact O-N 3.48Å; T56-R59 PolarHBondContact O-N 3.1Å; R59-E62 PolarHBondContact O-N 3.08Å; R59-A63 WeakPolarHBondContact O-CB 3.4Å; R59-A63 PolarHBondContact O-N 3.2Å
60	E	60.7	Low	56.7	Low	133 Å²	133	105.9 Å²	105.9	62%	0.621	57%	0.565	S	S	*	*	H	α-helix	trans	-71.7	-35.6	174.7	-73.7	-176.2	170.2	0	0	111.7	T56 A57 A63	T56-E60 WeakPolarHBondContact O-CB 3.42Å; T56-E60 WeakPolarHBondContact O-CG 3.46Å; T56-E60 PolarHBondContact O-N 3.13Å; A57-E60 PolarHBondContact O-N 3.35Å; E60-A63 PolarHBondContact O-N 2.95Å
61	E	57	Low	58	Low	92 Å²	92	105.1 Å²	105.1	43%	0.43	56%	0.557	S	S	.	*	H	α-helix	trans	-64.8	-36.2	170	-75.9	-157.9	132.2	0	0	112.7	A57 Q58 R78	A57-E61 WeakPolarHBondContact O-CB 3.28Å; A57-E61 WeakPolarHBondContact O-CG 3.41Å; A57-E61 PolarHBondContact O-N 2.88Å; Q58-E61 PolarHBondContact O-N 3.04Å; E61-R78 IonicContact OE1-NH1 2.77Å; E61-R78 PolarHBondContact OE1-NH1 3.49Å
62	E	57.1	Low	59.3	Low	121 Å²	121	100.9 Å²	100.9	57%	0.565	55%	0.553	S	S	*	*	H	α-helix	trans	-75.3	-21.6	176.7	-74.9	179.6	172.3	0	0	113.7	Q58 R59 V71	Q58-E62 WeakPolarHBondContact O-CB 3.44Å; Q58-E62 WeakPolarHBondContact O-CG 3.39Å; Q58-E62 PolarHBondContact O-N 3.05Å; R59-E62 PolarHBondContact O-N 3.08Å; E62-V71 HydrophobicContact CG-CG1 4.39Å
63	A	58.8	Low	60.5	Low	76 Å²	76	100.1 Å²	100.1	63%	0.628	54%	0.543	S	S	*	.	H	α-helix	trans	-83.8	-15	-175.9	0	0	0	0	0	114.4	R59 E60 K65	R59-A63 WeakPolarHBondContact O-CB 3.4Å; R59-A63 PolarHBondContact O-N 3.2Å; E60-A63 PolarHBondContact O-N 2.95Å; A63-K65 PolarHBondContact O-N 3.1Å; A63-K65 VanDerWaalsContact O-N 3.09Å
64	V	55.8	Low	61.2	Low	59 Å²	59	95.5 Å²	95.5	36%	0.358	52%	0.518	S	S	.	.			trans	-85.5	80.1	-179.3	-175.2	0	0	0	0	109.7	L66 M74	V64-L66 VanDerWaalsContact C-N 3.33Å; V64-L66 HydrophobicContact CG1-CB 4.45Å; V64-L66 HydrophobicContact CG1-CD1 3.85Å; V64-L66 PolarHBondContact O-N 2.94Å; V64-M74 WeakPolarHBondContact O-CE 3.4Å
65	K	54	Low	62.2	Low	187 Å²	187	96.3 Å²	96.3	81%	0.813	52%	0.517	S	S	*	.			trans	-76.3	86.8	167.8	-73.3	-175.3	-179.4	179.4	0	110	A63	A63-K65 PolarHBondContact O-N 3.1Å; A63-K65 VanDerWaalsContact O-N 3.09Å
66	L	53.2	Low	63.4	Low	109 Å²	109	96.7 Å²	96.7	57%	0.571	52%	0.518	S	S	*	.			trans	-82.1	113.5	170.7	-126	138.7	0	0	0	108.9	V64 G68 L69 M74	V64-L66 VanDerWaalsContact C-N 3.33Å; V64-L66 HydrophobicContact CG1-CB 4.45Å; V64-L66 HydrophobicContact CG1-CD1 3.85Å; V64-L66 PolarHBondContact O-N 2.94Å; L66-G68 PolarHBondContact O-N 3.33Å; L66-L69 PolarHBondContact O-N 3.1Å; L66-M74 HydrophobicContact CB-SD 4.31Å
67	D	56.9	Low	64.5	Low	156 Å²	156	98.3 Å²	98.3	83%	0.834	52%	0.524	S	S	*	.	T	Hydrogen-bonded Turn	trans	34.1	69.1	165.9	-96.3	-8.4	0	0	0	117	L69	D67-L69 PolarHBondContact O-N 3.09Å; D67-L69 VanDerWaalsContact O-N 3.08Å
68	G	65.2	Low	65.4	Low	85 Å²	85	101.3 Å²	101.3	88%	0.876	53%	0.525	S	S	*	.	T	Hydrogen-bonded Turn	trans	73.5	1.6	166.2	0	0	0	0	0	116.3	L66	L66-G68 PolarHBondContact O-N 3.33Å
69	L	64.6	Low	66.6	Low	62 Å²	62	103.8 Å²	103.8	33%	0.325	53%	0.534	S	S	.	.			trans	-87.1	133.6	174.8	-70.3	145.2	0	0	0	110.6	L66 D67 E73 M74 L77	L66-L69 PolarHBondContact O-N 3.1Å; D67-L69 PolarHBondContact O-N 3.09Å; D67-L69 VanDerWaalsContact O-N 3.08Å; L69-E73 WeakPolarHBondContact CA-OE2 3.27Å; L69-E73 HydrophobicContact CB-CB 4.19Å; L69-E73 HydrophobicContact CD2-CB 3.63Å; L69-E73 HydrophobicContact CD2-CG 4.31Å; L69-M74 HydrophobicContact CB-CG 4.25Å; L69-L77 HydrophobicContact CD1-CD1 3.78Å; L69-L77 HydrophobicContact CD2-CD1 3.91Å; L69-L77 HydrophobicContact CG-CD1 4.48Å
70	N	74	Confident	67.9	Low	74 Å²	74	102.6 Å²	102.6	40%	0.396	53%	0.533	S	S	.	.			trans	-75.6	165.2	173	65.5	44.9	0	0	0	111.2	S72 E73 M74	N70-S72 PolarHBondContact O-N 3.27Å; N70-S72 PolarHBondContact OD1-N 2.9Å; N70-S72 PolarHBondContact OD1-OG 3.34Å; N70-E73 VanDerWaalsContact CG-CD 3.41Å; N70-E73 VanDerWaalsContact CG-OE2 3.24Å; N70-E73 PolarHBondContact N-OE2 3.43Å; N70-E73 PolarHBondContact ND2-OE1 3.44Å; N70-E73 PolarHBondContact ND2-OE2 2.96Å; N70-E73 PolarHBondContact O-N 2.87Å; N70-E73 WeakPolarHBondContact OD1-CB 3.33Å; N70-E73 WeakPolarHBondContact OD1-CG 3.41Å; N70-E73 PolarHBondContact OD1-N 3.47Å; N70-E73 PolarHBondContact OD1-OE2 2.77Å; N70-M74 PolarHBondContact O-N 3.12Å
71	V	68.3	Low	69	Low	71 Å²	71	98.5 Å²	98.5	43%	0.43	52%	0.522	S	S	.	.	H	α-helix	trans	-58.5	-35.3	-176.4	179.3	0	0	0	0	112.1	E62 K75	E62-V71 HydrophobicContact CG-CG1 4.39Å; V71-K75 WeakPolarHBondContact O-CB 3.39Å; V71-K75 PolarHBondContact O-N 3.42Å
72	S	72.5	Confident	70.5	Confident	82 Å²	82	101.7 Å²	101.7	57%	0.573	54%	0.537	S	S	*	.	H	α-helix	trans	-65.1	-44	174.1	31.3	0	0	0	0	112.6	N70 K75 E76	N70-S72 PolarHBondContact O-N 3.27Å; N70-S72 PolarHBondContact OD1-N 2.9Å; N70-S72 PolarHBondContact OD1-OG 3.34Å; S72-K75 PolarHBondContact O-N 2.94Å; S72-E76 WeakPolarHBondContact O-CB 2.88Å; S72-E76 PolarHBondContact O-N 3.48Å
73	E	73.5	Confident	71.9	Confident	77 Å²	77	104 Å²	104	36%	0.36	55%	0.547	S	S	.	.	H	α-helix	trans	-66	-40.3	178.4	-73.6	161.5	172	0	0	110.9	L69 N70 E76 L77	L69-E73 WeakPolarHBondContact CA-OE2 3.27Å; L69-E73 HydrophobicContact CB-CB 4.19Å; L69-E73 HydrophobicContact CD2-CB 3.63Å; L69-E73 HydrophobicContact CD2-CG 4.31Å; N70-E73 VanDerWaalsContact CG-CD 3.41Å; N70-E73 VanDerWaalsContact CG-OE2 3.24Å; N70-E73 PolarHBondContact N-OE2 3.43Å; N70-E73 PolarHBondContact ND2-OE1 3.44Å; N70-E73 PolarHBondContact ND2-OE2 2.96Å; N70-E73 PolarHBondContact O-N 2.87Å; N70-E73 WeakPolarHBondContact OD1-CB 3.33Å; N70-E73 WeakPolarHBondContact OD1-CG 3.41Å; N70-E73 PolarHBondContact OD1-N 3.47Å; N70-E73 PolarHBondContact OD1-OE2 2.77Å; E73-E76 PolarHBondContact O-N 2.64Å; E73-L77 WeakPolarHBondContact O-CB 3.49Å; E73-L77 PolarHBondContact O-N 3.38Å
74	M	69.9	Low	73.3	Confident	17 Å²	17	107.5 Å²	107.5	8%	0.084	55%	0.551	C	S	.	*	H	α-helix	trans	-63.8	-40.3	172.9	-88.9	-174.6	-71.8	0	0	113.1	V64 L66 L69 N70 E76 L77 R78	V64-M74 WeakPolarHBondContact O-CE 3.4Å; L66-M74 HydrophobicContact CB-SD 4.31Å; L69-M74 HydrophobicContact CB-CG 4.25Å; N70-M74 PolarHBondContact O-N 3.12Å; M74-E76 VanDerWaalsContact C-N 3.3Å; M74-L77 PolarHBondContact O-N 2.98Å; M74-R78 WeakPolarHBondContact O-CB 3.44Å; M74-R78 WeakPolarHBondContact O-CG 3.45Å; M74-R78 PolarHBondContact O-N 3.07Å
75	K	75.2	Confident	74.8	Confident	121 Å²	121	109 Å²	109	53%	0.526	56%	0.563	S	S	.	*	H	α-helix	trans	-66.7	-36.3	176.4	-164.2	169.8	-170.2	163.5	0	111.2	V71 S72 K79	V71-K75 WeakPolarHBondContact O-CB 3.39Å; V71-K75 PolarHBondContact O-N 3.42Å; S72-K75 PolarHBondContact O-N 2.94Å; K75-K79 WeakPolarHBondContact O-CB 3.38Å; K75-K79 VanDerWaalsContact O-CG 3.25Å; K75-K79 WeakPolarHBondContact O-CG 3.32Å; K75-K79 PolarHBondContact O-N 3.13Å
76	E	79.8	Confident	76.5	Confident	103 Å²	103	110.1 Å²	110.1	48%	0.481	57%	0.569	S	S	.	*	H	α-helix	trans	-69.6	-40.1	173.7	-145.5	-171.6	154.6	0	0	111.8	S72 E73 M74 K79 K80	S72-E76 WeakPolarHBondContact O-CB 2.88Å; S72-E76 PolarHBondContact O-N 3.48Å; E73-E76 PolarHBondContact O-N 2.64Å; M74-E76 VanDerWaalsContact C-N 3.3Å; E76-K79 PolarHBondContact O-N 2.99Å; E76-K80 WeakPolarHBondContact O-CB 3.41Å; E76-K80 WeakPolarHBondContact O-CG 3.4Å; E76-K80 PolarHBondContact O-N 3.25Å; E76-K80 WeakPolarHBondContact OE1-CE 3.09Å; E76-K80 IonicContact OE1-NZ 3.7Å; E76-K80 PolarHBondContact OE1-NZ 3.06Å
77	L	80.3	Confident	78	Confident	97 Å²	97	112.9 Å²	112.9	51%	0.508	58%	0.579	S	S	.	*	H	α-helix	trans	-62.5	-48.3	174.7	-119.3	146.7	0	0	0	111.5	L69 E73 M74 K79 K80 A81	L69-L77 HydrophobicContact CD1-CD1 3.78Å; L69-L77 HydrophobicContact CD2-CD1 3.91Å; L69-L77 HydrophobicContact CG-CD1 4.48Å; E73-L77 WeakPolarHBondContact O-CB 3.49Å; E73-L77 PolarHBondContact O-N 3.38Å; M74-L77 PolarHBondContact O-N 2.98Å; L77-K79 VanDerWaalsContact C-N 3.33Å; L77-K79 PolarHBondContact O-N 2.89Å; L77-K80 CarbonylContact O-C 3.49Å; L77-K80 PolarHBondContact O-N 3.22Å; L77-A81 WeakPolarHBondContact O-CB 3.48Å; L77-A81 PolarHBondContact O-N 3.47Å
78	R	79.1	Confident	79.4	Confident	116 Å²	116	108.4 Å²	108.4	44%	0.438	56%	0.563	S	S	.	*	H	α-helix	trans	-62.4	-38.1	175.5	-73.6	-178.8	-177.8	-177.6	1.6	111.9	E61 M74 K80 A81	E61-R78 IonicContact OE1-NH1 2.77Å; E61-R78 PolarHBondContact OE1-NH1 3.49Å; M74-R78 WeakPolarHBondContact O-CB 3.44Å; M74-R78 WeakPolarHBondContact O-CG 3.45Å; M74-R78 PolarHBondContact O-N 3.07Å; R78-K80 VanDerWaalsContact C-N 3.32Å; R78-K80 PolarHBondContact O-N 3.42Å; R78-A81 WeakPolarHBondContact O-CB 3.4Å; R78-A81 PolarHBondContact O-N 2.88Å
79	K	82.5	Confident	80.5	Confident	168 Å²	168	109.3 Å²	109.3	73%	0.73	55%	0.545	S	S	*	.	H	α-helix	trans	-68	-29.9	174.7	-80.4	179.7	177.8	-172.7	0	113.6	K75 E76 L77	K75-K79 WeakPolarHBondContact O-CB 3.38Å; K75-K79 VanDerWaalsContact O-CG 3.25Å; K75-K79 WeakPolarHBondContact O-CG 3.32Å; K75-K79 PolarHBondContact O-N 3.13Å; E76-K79 PolarHBondContact O-N 2.99Å; L77-K79 VanDerWaalsContact C-N 3.33Å; L77-K79 PolarHBondContact O-N 2.89Å
80	K	86.5	Confident	81.5	Confident	148 Å²	148	110.6 Å²	110.6	64%	0.643	56%	0.555	S	S	*	*	H	α-helix	trans	-90.8	-6	176	-69.6	176.6	-173.6	168.1	0	112.9	E76 L77 R78	E76-K80 WeakPolarHBondContact O-CB 3.41Å; E76-K80 WeakPolarHBondContact O-CG 3.4Å; E76-K80 PolarHBondContact O-N 3.25Å; E76-K80 WeakPolarHBondContact OE1-CE 3.09Å; E76-K80 IonicContact OE1-NZ 3.7Å; E76-K80 PolarHBondContact OE1-NZ 3.06Å; L77-K80 CarbonylContact O-C 3.49Å; L77-K80 PolarHBondContact O-N 3.22Å; R78-K80 VanDerWaalsContact C-N 3.32Å; R78-K80 PolarHBondContact O-N 3.42Å
81	A	85.4	Confident	82	Confident	48 Å²	48	110.7 Å²	110.7	40%	0.397	56%	0.558	S	S	.	*	P	Polyproline II helix	trans	-70.2	133.1	-178.2	0	0	0	0	0	110.1	L77 R78	L77-A81 WeakPolarHBondContact O-CB 3.48Å; L77-A81 PolarHBondContact O-N 3.47Å; R78-A81 WeakPolarHBondContact O-CB 3.4Å; R78-A81 PolarHBondContact O-N 2.88Å
82	E	88.3	Confident	82.9	Confident	159 Å²	159	114.8 Å²	114.8	74%	0.743	57%	0.566	S	S	*	*	P	Polyproline II helix	trans	-81.9	120.3	170.6	-65.9	-176.9	-178.8	0	0	108.9	H84	E82-H84 IonicContact OE2-NE2 2.65Å
83	H	85.6	Confident	83.6	Confident	169 Å²	169	114.3 Å²	114.3	78%	0.782	56%	0.555	S	S	*	*	P	Polyproline II helix	trans	-91.7	119.2	176	-70.7	-71.1	0	0	0	109.8
84	H	88.9	Confident	84.3	Confident	150 Å²	150	111.3 Å²	111.3	69%	0.694	54%	0.542	S	S	*	.			trans	-109.6	137.6	172.4	-57.1	-82.4	0	0	0	109.6	E82	E82-H84 IonicContact OE2-NE2 2.65Å
85	S	87.8	Confident	85.1	Confident	89 Å²	89	116.7 Å²	116.7	62%	0.622	57%	0.565	S	S	*	*			trans	-80.3	146.6	167.7	53.5	0	0	0	0	110.2	Q87	S85-Q87 PolarHBondContact O-N 3.14Å; S85-Q87 PolarHBondContact OG-NE2 3.38Å
86	F	88.3	Confident	85.7	Confident	212 Å²	212	116 Å²	116	93%	0.93	57%	0.566	S	S	*	*			trans	-57.9	132.3	172.3	-72.3	-80.4	0	0	0	110.1
87	Q	86	Confident	86.1	Confident	166 Å²	166	111.8 Å²	111.8	78%	0.776	55%	0.547	S	S	*	.			trans	-107.7	152.4	175.6	-61.8	-63	-42.9	0	0	109.5	S85	S85-Q87 PolarHBondContact O-N 3.14Å; S85-Q87 PolarHBondContact OG-NE2 3.38Å
88	A	85.7	Confident	86.4	Confident	62 Å²	62	108 Å²	108	51%	0.512	53%	0.527	S	S	.	.			trans	-131.6	130.9	179	0	0	0	0	0	111.2	V90 M93	A88-V90 PolarHBondContact O-N 2.94Å; A88-M93 HydrophobicContact CB-CE 3.61Å
89	E	87.4	Confident	86.7	Confident	105 Å²	105	108 Å²	108	49%	0.491	54%	0.535	S	S	.	.			trans	-81.9	94.6	173.2	-169.2	179	157.6	0	0	109.7	T91 R92 M93	E89-T91 VanDerWaalsContact C-N 3.29Å; E89-T91 PolarHBondContact O-N 3.11Å; E89-R92 HydrophobicContact CB-CB 4.41Å; E89-R92 VanDerWaalsContact CD-CD 3.43Å; E89-R92 HydrophobicContact CG-CB 4.39Å; E89-R92 HydrophobicContact CG-CG 4.09Å; E89-R92 PolarHBondContact O-N 3.44Å; E89-R92 WeakPolarHBondContact OE1-CD 3.47Å; E89-R92 WeakPolarHBondContact OE1-CG 3.46Å; E89-R92 IonicContact OE1-CZ 3.66Å; E89-R92 IonicContact OE1-NE 3.42Å; E89-R92 PolarHBondContact OE1-NE 3.13Å; E89-R92 IonicContact OE1-NH2 3.15Å; E89-R92 VanDerWaalsContact OE2-CD 3.22Å; E89-R92 WeakPolarHBondContact OE2-CD 3.13Å; E89-R92 IonicContact OE2-CZ 3.67Å; E89-R92 IonicContact OE2-NE 3.06Å; E89-R92 PolarHBondContact OE2-NE 2.84Å; E89-R92 IonicContact OE2-NH1 2.69Å; E89-R92 IonicContact OE2-NH2 3.81Å; E89-M93 PolarHBondContact O-N 2.93Å
90	V	86.2	Confident	86.9	Confident	88 Å²	88	104.1 Å²	104.1	53%	0.533	53%	0.529	S	S	.	.	H	α-helix	trans	-52.4	-44	-172.9	178.7	0	0	0	0	112.2	A88 R92 M93 M94 I170	A88-V90 PolarHBondContact O-N 2.94Å; V90-R92 VanDerWaalsContact C-N 3.33Å; V90-R92 PolarHBondContact O-N 3.3Å; V90-M93 PolarHBondContact O-N 3.24Å; V90-M93 VanDerWaalsContact O-N 3.17Å; V90-M94 HydrophobicContact CG1-CG 4.38Å; V90-M94 WeakPolarHBondContact O-CG 3.23Å; V90-M94 PolarHBondContact O-N 2.91Å; V90-I170 HydrophobicContact CG1-CD1 3.89Å
91	T	84.6	Confident	86.9	Confident	76 Å²	76	99.4 Å²	99.4	47%	0.466	51%	0.511	S	S	.	.	H	α-helix	trans	-61.5	-38.2	-179.6	-46.9	0	0	0	0	112.7	E89 K95	E89-T91 VanDerWaalsContact C-N 3.29Å; E89-T91 PolarHBondContact O-N 3.11Å; T91-K95 WeakPolarHBondContact O-CG 3.46Å; T91-K95 PolarHBondContact O-N 2.91Å
92	R	86.9	Confident	86.9	Confident	158 Å²	158	97.9 Å²	97.9	60%	0.596	50%	0.495	S	S	*	.	H	α-helix	trans	-73	-39.6	175.2	-70.7	-173.4	-166.1	-171.5	8.7	111.5	E89 V90 K95 L96	E89-R92 HydrophobicContact CB-CB 4.41Å; E89-R92 VanDerWaalsContact CD-CD 3.43Å; E89-R92 HydrophobicContact CG-CB 4.39Å; E89-R92 HydrophobicContact CG-CG 4.09Å; E89-R92 PolarHBondContact O-N 3.44Å; E89-R92 WeakPolarHBondContact OE1-CD 3.47Å; E89-R92 WeakPolarHBondContact OE1-CG 3.46Å; E89-R92 IonicContact OE1-CZ 3.66Å; E89-R92 IonicContact OE1-NE 3.42Å; E89-R92 PolarHBondContact OE1-NE 3.13Å; E89-R92 IonicContact OE1-NH2 3.15Å; E89-R92 VanDerWaalsContact OE2-CD 3.22Å; E89-R92 WeakPolarHBondContact OE2-CD 3.13Å; E89-R92 IonicContact OE2-CZ 3.67Å; E89-R92 IonicContact OE2-NE 3.06Å; E89-R92 PolarHBondContact OE2-NE 2.84Å; E89-R92 IonicContact OE2-NH1 2.69Å; E89-R92 IonicContact OE2-NH2 3.81Å; V90-R92 VanDerWaalsContact C-N 3.33Å; V90-R92 PolarHBondContact O-N 3.3Å; R92-K95 PolarHBondContact O-N 3.26Å; R92-L96 WeakPolarHBondContact O-CG 3.45Å; R92-L96 PolarHBondContact O-N 3.13Å
93	M	87.9	Confident	86.7	Confident	71 Å²	71	100.1 Å²	100.1	35%	0.35	50%	0.497	S	S	.	.	H	α-helix	trans	-61.3	-44.6	177.5	-170.2	176.2	-71.9	0	0	111.6	A88 E89 V90 K95 L96 I97 I170	A88-M93 HydrophobicContact CB-CE 3.61Å; E89-M93 PolarHBondContact O-N 2.93Å; V90-M93 PolarHBondContact O-N 3.24Å; V90-M93 VanDerWaalsContact O-N 3.17Å; M93-K95 PolarHBondContact O-N 3.35Å; M93-L96 PolarHBondContact O-N 2.98Å; M93-L96 VanDerWaalsContact O-N 3.17Å; M93-I97 HydrophobicContact CG-CD1 4.12Å; M93-I97 WeakPolarHBondContact O-CG1 3.04Å; M93-I97 PolarHBondContact O-N 2.85Å; M93-I170 HydrophobicContact CB-CD1 4.1Å; M93-I170 HydrophobicContact CG-CD1 3.95Å; M93-I170 HydrophobicContact CG-CG2 4.25Å; M93-I170 HydrophobicContact SD-CB 4.1Å; M93-I170 HydrophobicContact SD-CD1 3.87Å; M93-I170 HydrophobicContact SD-CG2 3.6Å
94	M	87.5	Confident	86.8	Confident	14 Å²	14	95.3 Å²	95.3	7%	0.069	48%	0.477	C	S	.	.	H	α-helix	trans	-57.1	-46.9	173.4	-76.7	-59.6	-69.8	0	0	111.8	V90 L96 I97 I98 I170 Y202 F205 A229	V90-M94 HydrophobicContact CG1-CG 4.38Å; V90-M94 WeakPolarHBondContact O-CG 3.23Å; V90-M94 PolarHBondContact O-N 2.91Å; M94-L96 VanDerWaalsContact C-N 3.29Å; M94-L96 PolarHBondContact O-N 3.05Å; M94-I97 PolarHBondContact O-N 2.92Å; M94-I98 HydrophobicContact CE-CD1 4.2Å; M94-I98 VanDerWaalsContact O-CG1 3.29Å; M94-I98 WeakPolarHBondContact O-CG1 3.36Å; M94-I98 PolarHBondContact O-N 3.17Å; M94-I170 HydrophobicContact CG-CD1 3.78Å; M94-I170 HydrophobicContact SD-CD1 3.62Å; M94-I170 HydrophobicContact SD-CG1 4.01Å; M94-Y202 HydrophobicContact CE-CD1 3.57Å; M94-Y202 HydrophobicContact CE-CE1 4.13Å; M94-Y202 HydrophobicContact CE-CG 3.99Å; M94-Y202 HydrophobicContact SD-CD1 3.94Å; M94-Y202 HydrophobicContact SD-CD2 4.44Å; M94-Y202 HydrophobicContact SD-CE1 4.14Å; M94-Y202 HydrophobicContact SD-CG 4.09Å; M94-F205 HydrophobicContact CE-CD2 4.36Å; M94-F205 HydrophobicContact CE-CE2 4.44Å; M94-A229 HydrophobicContact CE-CB 3.89Å
95	K	87	Confident	87	Confident	131 Å²	131	92.3 Å²	92.3	57%	0.57	46%	0.462	S	S	*	.	H	α-helix	trans	-60.2	-36.7	177	-74	179.8	-179.3	-176.3	0	112.8	T91 R92 M93 N99	T91-K95 WeakPolarHBondContact O-CG 3.46Å; T91-K95 PolarHBondContact O-N 2.91Å; R92-K95 PolarHBondContact O-N 3.26Å; M93-K95 PolarHBondContact O-N 3.35Å; K95-N99 VanDerWaalsContact O-CB 3.25Å; K95-N99 WeakPolarHBondContact O-CB 3.43Å; K95-N99 PolarHBondContact O-N 2.95Å; K95-N99 PolarHBondContact O-ND2 3.44Å
96	L	89	Confident	87.2	Confident	106 Å²	106	89.9 Å²	89.9	56%	0.555	44%	0.441	S	S	*	.	H	α-helix	trans	-70.3	-42.8	176.3	-71.9	171.6	0	0	0	112.1	R92 M93 M94 I98 S100 L101	R92-L96 WeakPolarHBondContact O-CG 3.45Å; R92-L96 PolarHBondContact O-N 3.13Å; M93-L96 PolarHBondContact O-N 2.98Å; M93-L96 VanDerWaalsContact O-N 3.17Å; M94-L96 VanDerWaalsContact C-N 3.29Å; M94-L96 PolarHBondContact O-N 3.05Å; L96-I98 VanDerWaalsContact C-N 3.32Å; L96-I98 PolarHBondContact O-N 3.08Å; L96-S100 WeakPolarHBondContact O-CA 3.32Å; L96-S100 WeakPolarHBondContact O-CB 3.37Å; L96-S100 PolarHBondContact O-N 3.49Å; L96-L101 PolarHBondContact O-N 3.02Å; L96-L101 VanDerWaalsContact O-N 3.16Å
97	I	87.2	Confident	87.3	Confident	15 Å²	15	79.8 Å²	79.8	8%	0.077	40%	0.396	C	S	.	.	H	α-helix	trans	-61.4	-43.6	177.1	-68.5	168.3	0	0	0	110.3	M93 M94 L101 I170 V199	M93-I97 HydrophobicContact CG-CD1 4.12Å; M93-I97 WeakPolarHBondContact O-CG1 3.04Å; M93-I97 PolarHBondContact O-N 2.85Å; M94-I97 PolarHBondContact O-N 2.92Å; I97-L101 HydrophobicContact CG2-CD2 4.19Å; I97-L101 VanDerWaalsContact O-CB 3.29Å; I97-L101 WeakPolarHBondContact O-CB 3.39Å; I97-I170 HydrophobicContact CD1-CD1 4.39Å; I97-I170 HydrophobicContact CD1-CG2 3.51Å; I97-V199 HydrophobicContact CD1-CG1 4.1Å; I97-V199 HydrophobicContact CG2-CB 4.48Å
98	I	86.9	Confident	87.7	Confident	17 Å²	17	71.9 Å²	71.9	9%	0.087	36%	0.359	C	S	.	.	H	α-helix	trans	-73.7	-49.8	-179.1	-61.9	165.6	0	0	0	110.7	M94 L96 F205 L206 A229	M94-I98 HydrophobicContact CE-CD1 4.2Å; M94-I98 VanDerWaalsContact O-CG1 3.29Å; M94-I98 WeakPolarHBondContact O-CG1 3.36Å; M94-I98 PolarHBondContact O-N 3.17Å; L96-I98 VanDerWaalsContact C-N 3.32Å; L96-I98 PolarHBondContact O-N 3.08Å; I98-F205 HydrophobicContact CD1-CB 3.58Å; I98-F205 HydrophobicContact CD1-CD2 4.46Å; I98-F205 HydrophobicContact CD1-CG 4.21Å; I98-F205 HydrophobicContact CG1-CB 3.93Å; I98-F205 HydrophobicContact CG2-CB 4.43Å; I98-L206 HydrophobicContact CG2-CD2 4.33Å; I98-L206 WeakPolarHBondContact O-CD2 3.39Å; I98-A229 HydrophobicContact CD1-CB 3.88Å
99	N	84.5	Confident	88	Confident	116 Å²	116	69.5 Å²	69.5	62%	0.62	34%	0.338	S	S	*	.	H	α-helix	trans	-96.6	-12.5	-166.8	-60.6	-43.5	0	0	0	115.2	K95	K95-N99 VanDerWaalsContact O-CB 3.25Å; K95-N99 WeakPolarHBondContact O-CB 3.43Å; K95-N99 PolarHBondContact O-N 2.95Å; K95-N99 PolarHBondContact O-ND2 3.44Å
100	S	86.7	Confident	88.3	Confident	86 Å²	86	64.6 Å²	64.6	60%	0.601	32%	0.315	S	S	*	.	T	Hydrogen-bonded Turn	trans	-131	-18	-169.5	-53.8	0	0	0	0	114.7	L96	L96-S100 WeakPolarHBondContact O-CA 3.32Å; L96-S100 WeakPolarHBondContact O-CB 3.37Å; L96-S100 PolarHBondContact O-N 3.49Å
101	L	86.7	Confident	88.5	Confident	49 Å²	49	60.7 Å²	60.7	26%	0.257	29%	0.291	S	S	.	.	S	Bend	trans	-79.9	-38.4	-176.9	-174.3	62.4	0	0	0	113	L96 I97 V199 V444 S445	L96-L101 PolarHBondContact O-N 3.02Å; L96-L101 VanDerWaalsContact O-N 3.16Å; I97-L101 HydrophobicContact CG2-CD2 4.19Å; I97-L101 VanDerWaalsContact O-CB 3.29Å; I97-L101 WeakPolarHBondContact O-CB 3.39Å; L101-V199 HydrophobicContact CD2-CG2 4.09Å; L101-V444 HydrophobicContact CD1-CB 3.95Å; L101-V444 HydrophobicContact CD1-CG1 3.78Å; L101-V444 HydrophobicContact CD2-CG1 3.96Å; L101-V444 HydrophobicContact CG-CG1 4.43Å; L101-S445 WeakPolarHBondContact O-CB 3.13Å
102	Y	86	Confident	89	Confident	17 Å²	17	57.2 Å²	57.2	7%	0.067	27%	0.269	C	S	.	.			trans	-109.1	136.7	-175	-57.8	-73.7	0	0	0	110.7	I107 L206	Y102-I107 HydrophobicContact CD1-CD1 3.2Å; Y102-I107 HydrophobicContact CD1-CG1 3.69Å; Y102-I107 HydrophobicContact CD2-CD1 3.83Å; Y102-I107 HydrophobicContact CE1-CD1 3.4Å; Y102-I107 VanDerWaalsContact CE1-CD1 3.4Å; Y102-I107 HydrophobicContact CE1-CG1 4.32Å; Y102-I107 HydrophobicContact CE2-CD1 3.99Å; Y102-I107 HydrophobicContact CG-CD1 3.42Å; Y102-I107 VanDerWaalsContact CG-CD1 3.42Å; Y102-I107 HydrophobicContact CG-CG1 3.87Å; Y102-L206 HydrophobicContact CD2-CD1 3.91Å; Y102-L206 HydrophobicContact CG-CD1 4.19Å
103	R	84.5	Confident	89.2	Confident	206 Å²	206	50.2 Å²	50.2	78%	0.777	24%	0.244	S	C	*	.	S	Bend	trans	-84.1	-41.3	176.5	-174.9	179	178.1	-171.1	-1.9	111.3
104	N	87.6	Confident	89.3	Confident	67 Å²	67	47 Å²	47	36%	0.358	23%	0.228	S	C	.	.			trans	-108.8	129.9	-175.7	-58.3	-46.6	0	0	0	110.4	E106 I107	N104-E106 VanDerWaalsContact C-N 3.28Å; N104-E106 HydrophobicContact CB-CG 3.94Å; N104-E106 PolarHBondContact O-N 2.91Å; N104-I107 HydrophobicContact CB-CG2 4.42Å; N104-I107 WeakPolarHBondContact O-CG1 3.06Å
105	K	91.7	Very high	89.6	Confident	88 Å²	88	49 Å²	49	38%	0.383	24%	0.239	S	C	.	.	T	Hydrogen-bonded Turn	trans	-65.9	-30.6	179.8	-67	-171	179.2	-173	0	112.9	I107 F108 L206 V207 E257 F261	K105-I107 PolarHBondContact O-N 3.14Å; K105-F108 VanDerWaalsContact O-CD1 3.3Å; K105-F108 WeakPolarHBondContact O-CD1 3.48Å; K105-F108 PolarHBondContact O-N 3.15Å; K105-L206 HydrophobicContact CG-CB 4.42Å; K105-V207 HydrophobicContact CB-CG1 4.11Å; K105-E257 IonicContact NZ-OE1 3.52Å; K105-F261 HydrophobicContact CB-CZ 4.49Å
106	E	92.4	Very high	89.8	Confident	38 Å²	38	43.4 Å²	43.4	18%	0.178	22%	0.217	C	C	.	.	T	Hydrogen-bonded Turn	trans	-56.5	-19.5	-177.4	65.3	-176.7	154.9	0	0	114.9	N104 F108 L109 F261 L270 K273 Y274	N104-E106 VanDerWaalsContact C-N 3.28Å; N104-E106 HydrophobicContact CB-CG 3.94Å; N104-E106 PolarHBondContact O-N 2.91Å; E106-F108 PolarHBondContact O-N 3.08Å; E106-F108 VanDerWaalsContact O-N 3.16Å; E106-L109 PolarHBondContact O-N 2.95Å; E106-F261 HydrophobicContact CB-CE1 4.28Å; E106-L270 HydrophobicContact CB-CD1 4.4Å; E106-L270 HydrophobicContact CB-CD2 3.63Å; E106-L270 HydrophobicContact CG-CD2 4.36Å; E106-L270 VanDerWaalsContact OE2-CD2 3.27Å; E106-L270 WeakPolarHBondContact OE2-CD2 3.29Å; E106-K273 IonicContact OE1-NZ 3.03Å; E106-K273 PolarHBondContact OE1-NZ 3.17Å; E106-K273 IonicContact OE2-NZ 2.98Å; E106-K273 PolarHBondContact OE2-NZ 3.3Å; E106-Y274 HydrophobicContact CB-CE2 4.36Å; E106-Y274 HydrophobicContact CG-CE2 3.77Å; E106-Y274 WeakPolarHBondContact CG-OH 3.23Å; E106-Y274 PolarHBondContact OE1-OH 3.28Å; E106-Y274 PolarHBondContact OE2-OH 3.06Å
107	I	90.7	Very high	89.8	Confident	0 Å²	0	38.6 Å²	38.6	0%	0	19%	0.192	C	C	.	.	H	α-helix	trans	-64.4	-17.9	-179.7	65.3	91.5	0	0	0	113.2	Y102 N104 K105 L109 R110 E111 S203 L206 E447	Y102-I107 HydrophobicContact CD1-CD1 3.2Å; Y102-I107 HydrophobicContact CD1-CG1 3.69Å; Y102-I107 HydrophobicContact CD2-CD1 3.83Å; Y102-I107 HydrophobicContact CE1-CD1 3.4Å; Y102-I107 VanDerWaalsContact CE1-CD1 3.4Å; Y102-I107 HydrophobicContact CE1-CG1 4.32Å; Y102-I107 HydrophobicContact CE2-CD1 3.99Å; Y102-I107 HydrophobicContact CG-CD1 3.42Å; Y102-I107 VanDerWaalsContact CG-CD1 3.42Å; Y102-I107 HydrophobicContact CG-CG1 3.87Å; N104-I107 HydrophobicContact CB-CG2 4.42Å; N104-I107 WeakPolarHBondContact O-CG1 3.06Å; K105-I107 PolarHBondContact O-N 3.14Å; I107-L109 PolarHBondContact O-N 3.28Å; I107-R110 WeakPolarHBondContact O-CB 3.33Å; I107-R110 PolarHBondContact O-N 2.75Å; I107-R110 VanDerWaalsContact O-N 3.09Å; I107-E111 HydrophobicContact CD1-CG 4.01Å; I107-E111 PolarHBondContact O-N 3.18Å; I107-S203 VanDerWaalsContact CD1-CB 3.49Å; I107-L206 HydrophobicContact CD1-CD1 3.86Å; I107-L206 HydrophobicContact CG1-CD1 4.08Å; I107-E447 WeakPolarHBondContact CG2-OE1 3.39Å
108	F	94	Very high	89.9	Confident	0 Å²	0	38 Å²	38	0%	0	19%	0.188	C	C	.	.	H	α-helix	trans	-54.5	-42.3	179.9	83.5	-85.6	0	0	0	111.3	K105 E106 E111 L112 L149 V207 L252 F261	K105-F108 VanDerWaalsContact O-CD1 3.3Å; K105-F108 WeakPolarHBondContact O-CD1 3.48Å; K105-F108 PolarHBondContact O-N 3.15Å; E106-F108 PolarHBondContact O-N 3.08Å; E106-F108 VanDerWaalsContact O-N 3.16Å; F108-E111 PolarHBondContact O-N 3.45Å; F108-L112 HydrophobicContact CD2-CD1 4.1Å; F108-L112 VanDerWaalsContact O-CG 3.31Å; F108-L112 WeakPolarHBondContact O-CG 3.35Å; F108-L112 PolarHBondContact O-N 2.81Å; F108-L149 HydrophobicContact CE2-CD2 3.7Å; F108-L149 HydrophobicContact CZ-CD2 3.82Å; F108-V207 HydrophobicContact CB-CG2 4.2Å; F108-V207 HydrophobicContact CD1-CB 4.38Å; F108-V207 HydrophobicContact CD1-CG1 3.73Å; F108-V207 HydrophobicContact CD1-CG2 3.76Å; F108-V207 HydrophobicContact CD2-CG2 3.67Å; F108-V207 HydrophobicContact CE1-CG1 4.04Å; F108-V207 HydrophobicContact CE1-CG2 4.03Å; F108-V207 HydrophobicContact CE2-CG2 3.96Å; F108-V207 HydrophobicContact CG-CG1 4.28Å; F108-V207 HydrophobicContact CG-CG2 3.57Å; F108-V207 HydrophobicContact CZ-CG2 4.13Å; F108-L252 HydrophobicContact CD2-CD1 3.68Å; F108-L252 HydrophobicContact CE2-CD1 3.55Å; F108-F261 HydrophobicContact CE1-CB 4.33Å; F108-F261 AromaticContact CE1-CD1 3.92Å; F108-F261 HydrophobicContact CE1-CD1 3.92Å; F108-F261 HydrophobicContact CE1-CD2 4.07Å; F108-F261 HydrophobicContact CE1-CE1 4.2Å; F108-F261 HydrophobicContact CE1-CE2 4.34Å; F108-F261 AromaticContact CE1-CG 3.85Å; F108-F261 HydrophobicContact CE1-CG 3.85Å; F108-F261 HydrophobicContact CE1-CZ 4.4Å; F108-F261 HydrophobicContact CZ-CB 4.19Å; F108-F261 HydrophobicContact CZ-CD1 4.47Å; F108-F261 HydrophobicContact CZ-CG 4.21Å
109	L	93.3	Very high	90.2	Very high	11 Å²	11	37.8 Å²	37.8	6%	0.058	19%	0.19	C	C	.	.	H	α-helix	trans	-70.5	-37.3	-178.4	-171.4	61.7	0	0	0	111	E106 I107 L112 I113 V151 L267 L270 V271	E106-L109 PolarHBondContact O-N 2.95Å; I107-L109 PolarHBondContact O-N 3.28Å; L109-L112 PolarHBondContact O-N 3.05Å; L109-I113 HydrophobicContact CD1-CD1 4Å; L109-I113 HydrophobicContact CD1-CG1 4.19Å; L109-I113 HydrophobicContact CD2-CD1 4.42Å; L109-I113 HydrophobicContact CG-CD1 3.76Å; L109-I113 HydrophobicContact CG-CG1 4.35Å; L109-I113 WeakPolarHBondContact O-CB 3.47Å; L109-I113 WeakPolarHBondContact O-CG1 3.41Å; L109-I113 PolarHBondContact O-N 2.81Å; L109-V151 HydrophobicContact CD1-CG2 4.11Å; L109-L267 HydrophobicContact CD2-CD2 3.96Å; L109-L270 HydrophobicContact CD2-CB 3.8Å; L109-L270 HydrophobicContact CD2-CD1 4.2Å; L109-V271 HydrophobicContact CD2-CG2 4.01Å
110	R	92	Very high	90.4	Very high	2 Å²	2	33.8 Å²	33.8	1%	0.008	17%	0.168	C	C	.	.	H	α-helix	trans	-58.9	-49	172.9	179.9	-168.7	73.3	-170.7	-2.9	111	I107 S114 Y274 V414 S445 R446	I107-R110 WeakPolarHBondContact O-CB 3.33Å; I107-R110 PolarHBondContact O-N 2.75Å; I107-R110 VanDerWaalsContact O-N 3.09Å; R110-S114 VanDerWaalsContact O-CB 3.27Å; R110-S114 WeakPolarHBondContact O-CB 3.49Å; R110-S114 PolarHBondContact O-N 3.27Å; R110-S114 PolarHBondContact O-OG 3.19Å; R110-Y274 HydrophobicContact CB-CD1 4.23Å; R110-Y274 HydrophobicContact CB-CG 3.98Å; R110-Y274 HydrophobicContact CG-CD1 4.2Å; R110-Y274 HydrophobicContact CG-CG 4.28Å; R110-V414 HydrophobicContact CG-CG1 4.11Å; R110-S445 PolarHBondContact NH2-O 2.78Å; R110-R446 PolarHBondContact NH1-O 3.25Å; R110-R446 VanDerWaalsContact NH1-O 3.09Å
111	E	92.3	Very high	90.4	Very high	6 Å²	6	29.9 Å²	29.9	3%	0.028	14%	0.14	C	C	.	.	H	α-helix	trans	-65.6	-42.2	-178.5	-64.3	-56.5	130.1	0	0	111.6	I107 F108 S114 N115 G200 S203 R446	I107-E111 HydrophobicContact CD1-CG 4.01Å; I107-E111 PolarHBondContact O-N 3.18Å; F108-E111 PolarHBondContact O-N 3.45Å; E111-S114 PolarHBondContact O-N 3.49Å; E111-N115 PolarHBondContact O-N 3.01Å; E111-N115 PolarHBondContact O-ND2 2.85Å; E111-G200 WeakPolarHBondContact CB-O 3.2Å; E111-G200 WeakPolarHBondContact OE2-CA 3.46Å; E111-S203 WeakPolarHBondContact CB-OG 3.43Å; E111-R446 IonicContact OE2-NE 3.85Å
112	L	93.5	Very high	90.4	Very high	4 Å²	4	28.8 Å²	28.8	2%	0.021	13%	0.134	C	C	.	.	H	α-helix	trans	-64.5	-48.3	177.8	-69.4	177.7	0	0	0	112.1	F108 L109 S114 N115 S116 V151 F201 V250 L252	F108-L112 HydrophobicContact CD2-CD1 4.1Å; F108-L112 VanDerWaalsContact O-CG 3.31Å; F108-L112 WeakPolarHBondContact O-CG 3.35Å; F108-L112 PolarHBondContact O-N 2.81Å; L109-L112 PolarHBondContact O-N 3.05Å; L112-S114 VanDerWaalsContact C-N 3.29Å; L112-S114 PolarHBondContact O-N 3.12Å; L112-N115 WeakPolarHBondContact O-CB 3.38Å; L112-N115 PolarHBondContact O-N 3.06Å; L112-S116 PolarHBondContact O-N 3.41Å; L112-S116 PolarHBondContact O-OG 2.95Å; L112-V151 HydrophobicContact CB-CG1 4.39Å; L112-V151 HydrophobicContact CB-CG2 4.37Å; L112-V151 HydrophobicContact CD1-CG2 4.05Å; L112-F201 HydrophobicContact CD2-CD2 4.35Å; L112-V250 HydrophobicContact CD1-CG1 4.41Å; L112-V250 HydrophobicContact CD2-CG1 4.09Å; L112-L252 HydrophobicContact CD1-CD1 3.74Å; L112-L252 HydrophobicContact CD1-CD2 4.29Å; L112-L252 HydrophobicContact CD1-CG 4.33Å
113	I	92.4	Very high	90.5	Very high	11 Å²	11	28.2 Å²	28.2	6%	0.056	13%	0.132	C	C	.	.	H	α-helix	trans	-64.1	-36.9	177.5	-62.2	170.6	0	0	0	110.7	L109 N115 S116 S117 V271 I278 I282	L109-I113 HydrophobicContact CD1-CD1 4Å; L109-I113 HydrophobicContact CD1-CG1 4.19Å; L109-I113 HydrophobicContact CD2-CD1 4.42Å; L109-I113 HydrophobicContact CG-CD1 3.76Å; L109-I113 HydrophobicContact CG-CG1 4.35Å; L109-I113 WeakPolarHBondContact O-CB 3.47Å; L109-I113 WeakPolarHBondContact O-CG1 3.41Å; L109-I113 PolarHBondContact O-N 2.81Å; I113-N115 VanDerWaalsContact C-N 3.34Å; I113-N115 PolarHBondContact O-N 2.91Å; I113-S116 WeakPolarHBondContact O-CB 3.38Å; I113-S116 PolarHBondContact O-N 3.25Å; I113-S117 PolarHBondContact O-N 3.26Å; I113-V271 HydrophobicContact CD1-CG2 3.94Å; I113-I278 HydrophobicContact CB-CD1 4.32Å; I113-I278 HydrophobicContact CG2-CD1 3.43Å; I113-I278 VanDerWaalsContact CG2-CD1 3.43Å; I113-I282 HydrophobicContact CD1-CD1 4.49Å; I113-I282 HydrophobicContact CG2-CD1 3.69Å; I113-I282 HydrophobicContact CG2-CG1 4.31Å
114	S	90.3	Very high	90.5	Very high	4 Å²	4	22.8 Å²	22.8	3%	0.028	11%	0.111	C	C	.	.	H	α-helix	trans	-62.1	-41.9	175.1	-60.9	0	0	0	0	111.7	R110 E111 L112 S117 D118	R110-S114 VanDerWaalsContact O-CB 3.27Å; R110-S114 WeakPolarHBondContact O-CB 3.49Å; R110-S114 PolarHBondContact O-N 3.27Å; R110-S114 PolarHBondContact O-OG 3.19Å; E111-S114 PolarHBondContact O-N 3.49Å; L112-S114 VanDerWaalsContact C-N 3.29Å; L112-S114 PolarHBondContact O-N 3.12Å; S114-S117 WeakPolarHBondContact O-CB 3.36Å; S114-S117 PolarHBondContact O-N 3.33Å; S114-D118 PolarHBondContact O-N 3.45Å
115	N	92.1	Very high	90.3	Very high	56 Å²	56	20.3 Å²	20.3	30%	0.299	10%	0.098	S	C	.	.	H	α-helix	trans	-64.9	-40.4	175.1	-66.4	-28	0	0	0	111.8	E111 L112 I113 S117 D118 A119	E111-N115 PolarHBondContact O-N 3.01Å; E111-N115 PolarHBondContact O-ND2 2.85Å; L112-N115 WeakPolarHBondContact O-CB 3.38Å; L112-N115 PolarHBondContact O-N 3.06Å; I113-N115 VanDerWaalsContact C-N 3.34Å; I113-N115 PolarHBondContact O-N 2.91Å; N115-S117 VanDerWaalsContact C-N 3.35Å; N115-D118 PolarHBondContact O-N 2.92Å; N115-A119 PolarHBondContact O-N 2.9Å
116	S	92.1	Very high	89.9	Confident	13 Å²	13	18.8 Å²	18.8	9%	0.091	9%	0.094	C	C	.	.	H	α-helix	trans	-62.4	-40.9	173.9	-62.3	0	0	0	0	111.9	L112 I113 A119 L120	L112-S116 PolarHBondContact O-N 3.41Å; L112-S116 PolarHBondContact O-OG 2.95Å; I113-S116 WeakPolarHBondContact O-CB 3.38Å; I113-S116 PolarHBondContact O-N 3.25Å; S116-A119 PolarHBondContact O-N 3.25Å; S116-L120 WeakPolarHBondContact O-CG 3.39Å; S116-L120 PolarHBondContact O-N 3.39Å
117	S	89.7	Confident	89.5	Confident	5 Å²	5	17.9 Å²	17.9	4%	0.035	9%	0.091	C	C	.	.	H	α-helix	trans	-61.8	-46.3	173.8	-172.5	0	0	0	0	111.6	I113 S114 N115 A119 L120 D121 F280	I113-S117 PolarHBondContact O-N 3.26Å; S114-S117 WeakPolarHBondContact O-CB 3.36Å; S114-S117 PolarHBondContact O-N 3.33Å; N115-S117 VanDerWaalsContact C-N 3.35Å; S117-A119 VanDerWaalsContact C-N 3.28Å; S117-A119 PolarHBondContact O-N 2.96Å; S117-L120 PolarHBondContact O-N 3.41Å; S117-D121 PolarHBondContact O-N 3.23Å; S117-F280 WeakPolarHBondContact O-CE2 3.43Å
118	D	89.5	Confident	89.2	Confident	1 Å²	1	23.1 Å²	23.1	1%	0.005	12%	0.119	C	C	.	.	H	α-helix	trans	-59.1	-40.2	175.9	-79.7	-9.4	0	0	0	111.5	S114 N115 D121 K122 T175 L193 I194 G195	S114-D118 PolarHBondContact O-N 3.45Å; N115-D118 PolarHBondContact O-N 2.92Å; D118-D121 PolarHBondContact O-N 3.09Å; D118-K122 VanDerWaalsContact O-CG 3.29Å; D118-K122 WeakPolarHBondContact O-CG 3.37Å; D118-K122 PolarHBondContact O-N 2.97Å; D118-T175 HydrophobicContact CB-CG2 4.37Å; D118-T175 WeakPolarHBondContact OD2-CG2 3.36Å; D118-T175 PolarHBondContact OD2-OG1 3.09Å; D118-L193 HydrophobicContact CB-CD2 4.12Å; D118-L193 WeakPolarHBondContact OD1-CA 3.23Å; D118-I194 PolarHBondContact OD1-N 3.2Å; D118-G195 VanDerWaalsContact OD2-CA 3.25Å; D118-G195 WeakPolarHBondContact OD2-CA 3.48Å; D118-G195 PolarHBondContact OD2-N 2.82Å
119	A	91.3	Very high	88.5	Confident	14 Å²	14	28.1 Å²	28.1	12%	0.116	15%	0.15	C	C	.	.	H	α-helix	trans	-66.7	-37.8	178.1	0	0	0	0	0	112.2	N115 S116 S117 I123 G155 I156	N115-A119 PolarHBondContact O-N 2.9Å; S116-A119 PolarHBondContact O-N 3.25Å; S117-A119 VanDerWaalsContact C-N 3.28Å; S117-A119 PolarHBondContact O-N 2.96Å; A119-I123 PolarHBondContact O-N 2.77Å; A119-G155 VanDerWaalsContact C-CA 3.44Å; A119-G155 VanDerWaalsContact O-CA 3.27Å; A119-G155 WeakPolarHBondContact O-CA 3.4Å; A119-I156 PolarHBondContact O-N 3.18Å
120	L	89.1	Confident	87.9	Confident	31 Å²	31	31 Å²	31	16%	0.162	17%	0.165	C	C	.	.	H	α-helix	trans	-68.6	-38.3	174	-72.7	167.8	0	0	0	112	S116 S117 I123 R124 F280	S116-L120 WeakPolarHBondContact O-CG 3.39Å; S116-L120 PolarHBondContact O-N 3.39Å; S117-L120 PolarHBondContact O-N 3.41Å; L120-I123 WeakPolarHBondContact O-CG2 3.47Å; L120-R124 VanDerWaalsContact O-CB 3.3Å; L120-R124 WeakPolarHBondContact O-CB 3.35Å; L120-R124 PolarHBondContact O-N 3.45Å; L120-F280 HydrophobicContact CB-CD1 3.95Å; L120-F280 HydrophobicContact CB-CD2 3.76Å; L120-F280 HydrophobicContact CB-CE1 3.72Å; L120-F280 HydrophobicContact CB-CE2 3.51Å; L120-F280 HydrophobicContact CB-CG 3.97Å; L120-F280 HydrophobicContact CB-CZ 3.5Å; L120-F280 VanDerWaalsContact CB-CZ 3.5Å; L120-F280 HydrophobicContact CD1-CB 3.71Å; L120-F280 HydrophobicContact CD1-CD1 3.94Å; L120-F280 HydrophobicContact CD1-CD2 3.87Å; L120-F280 HydrophobicContact CD1-CG 3.56Å; L120-F280 HydrophobicContact CG-CD1 4.44Å; L120-F280 HydrophobicContact CG-CD2 4.48Å; L120-F280 HydrophobicContact CG-CG 4.37Å
121	D	86.5	Confident	87.4	Confident	4 Å²	4	35.7 Å²	35.7	2%	0.021	20%	0.196	C	C	.	.	H	α-helix	trans	-66.3	-39.8	174.4	-86.2	-40.1	0	0	0	112.1	S117 D118 I123 R124 L125 L193 F280	S117-D121 PolarHBondContact O-N 3.23Å; D118-D121 PolarHBondContact O-N 3.09Å; D121-I123 PolarHBondContact O-N 2.8Å; D121-R124 WeakPolarHBondContact O-CB 3.1Å; D121-R124 PolarHBondContact O-N 2.55Å; D121-R124 IonicContact OD1-CZ 3.77Å; D121-R124 IonicContact OD1-NE 2.71Å; D121-R124 PolarHBondContact OD1-NE 2.69Å; D121-R124 VanDerWaalsContact OD1-NE 3.1Å; D121-R124 IonicContact OD1-NH2 2.63Å; D121-R124 PolarHBondContact OD1-NH2 3.09Å; D121-L125 WeakPolarHBondContact O-CB 3.27Å; D121-L125 VanDerWaalsContact O-CG 3.29Å; D121-L125 WeakPolarHBondContact O-CG 3.23Å; D121-L125 PolarHBondContact O-N 3.03Å; D121-L193 HydrophobicContact CB-CD2 3.75Å; D121-F280 HydrophobicContact CB-CE2 4.45Å; D121-F280 WeakPolarHBondContact OD1-CZ 3.44Å
122	K	88.3	Confident	86.6	Confident	26 Å²	26	39.5 Å²	39.5	11%	0.113	22%	0.223	C	C	.	.	H	α-helix	trans	-59.5	-47.6	175.3	-73.5	173.9	-167.1	178.3	0	112.3	D118 R124 L125 L126 I156 G174 T175 F178	D118-K122 VanDerWaalsContact O-CG 3.29Å; D118-K122 WeakPolarHBondContact O-CG 3.37Å; D118-K122 PolarHBondContact O-N 2.97Å; K122-R124 VanDerWaalsContact C-N 3.34Å; K122-L125 PolarHBondContact O-N 2.95Å; K122-L126 WeakPolarHBondContact O-CG 3.39Å; K122-L126 PolarHBondContact O-N 2.83Å; K122-I156 HydrophobicContact CB-CB 4.29Å; K122-I156 HydrophobicContact CB-CD1 4.39Å; K122-I156 HydrophobicContact CB-CG2 4.06Å; K122-I156 HydrophobicContact CD-CG2 4.12Å; K122-G174 VanDerWaalsContact NZ-C 3.28Å; K122-G174 PolarHBondContact NZ-O 3.27Å; K122-G174 VanDerWaalsContact NZ-O 3.13Å; K122-T175 WeakPolarHBondContact CE-OG1 3.49Å; K122-T175 VanDerWaalsContact NZ-CA 3.3Å; K122-T175 PolarHBondContact NZ-OG1 3.26Å; K122-F178 HydrophobicContact CB-CE1 4.42Å; K122-F178 HydrophobicContact CB-CE2 4.17Å; K122-F178 HydrophobicContact CB-CZ 4.13Å; K122-F178 HydrophobicContact CD-CB 4.35Å; K122-F178 HydrophobicContact CD-CD2 4.14Å; K122-F178 HydrophobicContact CD-CG 4.09Å; K122-F178 HydrophobicContact CG-CD1 3.85Å; K122-F178 HydrophobicContact CG-CD2 4.01Å; K122-F178 HydrophobicContact CG-CE1 3.97Å; K122-F178 HydrophobicContact CG-CE2 4.11Å; K122-F178 HydrophobicContact CG-CG 3.87Å; K122-F178 HydrophobicContact CG-CZ 4.09Å
123	I	87	Confident	85.9	Confident	6 Å²	6	40.2 Å²	40.2	3%	0.031	23%	0.228	C	C	.	.	H	α-helix	trans	-68.6	-35.3	178.7	-168	68.3	0	0	0	111.5	A119 L120 D121 L125 L126 S127 V133 L134 I156	A119-I123 PolarHBondContact O-N 2.77Å; L120-I123 WeakPolarHBondContact O-CG2 3.47Å; D121-I123 PolarHBondContact O-N 2.8Å; I123-L125 VanDerWaalsContact C-N 3.33Å; I123-L125 PolarHBondContact O-N 3.28Å; I123-L126 PolarHBondContact O-N 3Å; I123-S127 WeakPolarHBondContact O-CB 3.44Å; I123-S127 PolarHBondContact O-N 3.34Å; I123-V133 HydrophobicContact CD1-CB 3.78Å; I123-V133 HydrophobicContact CD1-CG2 3.61Å; I123-V133 HydrophobicContact CG1-CG2 4.18Å; I123-L134 HydrophobicContact CG1-CD2 4.26Å; I123-I156 HydrophobicContact CB-CB 4.23Å; I123-I156 HydrophobicContact CD1-CG1 4.4Å
124	R	84.7	Confident	85	Confident	91 Å²	91	44 Å²	44	34%	0.343	25%	0.247	S	C	.	.	H	α-helix	trans	-60.3	-42.5	172.5	-179.8	178.8	70.2	147.4	-2.9	111.5	L120 D121 K122 S127 L128 D192	L120-R124 VanDerWaalsContact O-CB 3.3Å; L120-R124 WeakPolarHBondContact O-CB 3.35Å; L120-R124 PolarHBondContact O-N 3.45Å; D121-R124 WeakPolarHBondContact O-CB 3.1Å; D121-R124 PolarHBondContact O-N 2.55Å; D121-R124 IonicContact OD1-CZ 3.77Å; D121-R124 IonicContact OD1-NE 2.71Å; D121-R124 PolarHBondContact OD1-NE 2.69Å; D121-R124 VanDerWaalsContact OD1-NE 3.1Å; D121-R124 IonicContact OD1-NH2 2.63Å; D121-R124 PolarHBondContact OD1-NH2 3.09Å; K122-R124 VanDerWaalsContact C-N 3.34Å; R124-S127 PolarHBondContact O-N 2.85Å; R124-S127 PolarHBondContact O-OG 2.96Å; R124-L128 PolarHBondContact O-N 3.42Å; R124-D192 IonicContact NH2-OD2 2.87Å; R124-D192 PolarHBondContact NH2-OD2 3.42Å
125	L	83.3	Confident	83.4	Confident	16 Å²	16	52.3 Å²	52.3	8%	0.084	29%	0.286	C	S	.	.	H	α-helix	trans	-68.7	-43.3	178.1	-71.6	170.4	0	0	0	111.6	D121 K122 I123 S127 L128 F178 F182	D121-L125 WeakPolarHBondContact O-CB 3.27Å; D121-L125 VanDerWaalsContact O-CG 3.29Å; D121-L125 WeakPolarHBondContact O-CG 3.23Å; D121-L125 PolarHBondContact O-N 3.03Å; K122-L125 PolarHBondContact O-N 2.95Å; I123-L125 VanDerWaalsContact C-N 3.33Å; I123-L125 PolarHBondContact O-N 3.28Å; L125-S127 VanDerWaalsContact C-N 3.27Å; L125-S127 PolarHBondContact O-N 2.57Å; L125-L128 HydrophobicContact CD2-CD1 4.22Å; L125-L128 WeakPolarHBondContact O-CB 3.41Å; L125-L128 PolarHBondContact O-N 2.93Å; L125-F178 HydrophobicContact CB-CE1 4.42Å; L125-F178 HydrophobicContact CB-CZ 4.35Å; L125-F178 HydrophobicContact CD1-CE1 3.81Å; L125-F182 HydrophobicContact CB-CE2 4.07Å; L125-F182 HydrophobicContact CB-CZ 4.28Å; L125-F182 HydrophobicContact CD2-CE1 4.3Å; L125-F182 HydrophobicContact CD2-CZ 3.99Å
126	L	84.1	Confident	81.6	Confident	55 Å²	55	51.3 Å²	51.3	29%	0.288	28%	0.283	S	S	.	.	H	α-helix	trans	-62.2	-36.3	175.6	-71.8	175.4	0	0	0	112.1	K122 I123 L128 T129 D130 I156 F178	K122-L126 WeakPolarHBondContact O-CG 3.39Å; K122-L126 PolarHBondContact O-N 2.83Å; I123-L126 PolarHBondContact O-N 3Å; L126-L128 PolarHBondContact O-N 2.95Å; L126-T129 PolarHBondContact O-N 3.13Å; L126-T129 PolarHBondContact O-OG1 2.85Å; L126-D130 PolarHBondContact O-N 3.09Å; L126-I156 HydrophobicContact CD1-CD1 3.35Å; L126-I156 HydrophobicContact CD1-CG1 4.11Å; L126-F178 HydrophobicContact CD1-CE2 4.47Å; L126-F178 HydrophobicContact CD2-CE2 4.38Å; L126-F178 HydrophobicContact CG-CE2 4.29Å; L126-F178 HydrophobicContact CG-CZ 4.32Å
127	S	84	Confident	79.5	Confident	19 Å²	19	59.9 Å²	59.9	13%	0.133	32%	0.319	C	S	.	.	H	α-helix	trans	-68.5	-18.8	179.5	75.9	0	0	0	0	114.2	I123 R124 L125 T129 D130	I123-S127 WeakPolarHBondContact O-CB 3.44Å; I123-S127 PolarHBondContact O-N 3.34Å; R124-S127 PolarHBondContact O-N 2.85Å; R124-S127 PolarHBondContact O-OG 2.96Å; L125-S127 VanDerWaalsContact C-N 3.27Å; L125-S127 PolarHBondContact O-N 2.57Å; S127-T129 VanDerWaalsContact C-N 3.28Å; S127-D130 WeakPolarHBondContact CA-O 3.49Å; S127-D130 CarbonylContact O-C 3.54Å
128	L	83.1	Confident	77.5	Confident	111 Å²	111	63 Å²	63	58%	0.581	34%	0.339	S	S	*	.	H	α-helix	trans	-67	-32.1	169.8	-60.7	175.9	0	0	0	111.7	R124 L125 L126	R124-L128 PolarHBondContact O-N 3.42Å; L125-L128 HydrophobicContact CD2-CD1 4.22Å; L125-L128 WeakPolarHBondContact O-CB 3.41Å; L125-L128 PolarHBondContact O-N 2.93Å; L126-L128 PolarHBondContact O-N 2.95Å
129	T	80.9	Confident	75.6	Confident	105 Å²	105	68.3 Å²	68.3	64%	0.644	36%	0.364	S	S	*	.	H	α-helix	trans	-93.8	-33.2	177.6	50.9	0	0	0	0	113.4	L126 S127	L126-T129 PolarHBondContact O-N 3.13Å; L126-T129 PolarHBondContact O-OG1 2.85Å; S127-T129 VanDerWaalsContact C-N 3.28Å
130	D	80.6	Confident	73.5	Confident	72 Å²	72	69.2 Å²	69.2	39%	0.385	37%	0.366	S	S	.	.			trans	-140.4	93.7	-179.6	-177.9	2.5	0	0	0	110.5	L126 S127 S132 V133	L126-D130 PolarHBondContact O-N 3.09Å; S127-D130 WeakPolarHBondContact CA-O 3.49Å; S127-D130 CarbonylContact O-C 3.54Å; D130-S132 PolarHBondContact O-N 3.33Å; D130-S132 VanDerWaalsContact OD1-CB 3.28Å; D130-S132 WeakPolarHBondContact OD1-CB 3.29Å; D130-S132 PolarHBondContact OD1-N 3.4Å; D130-S132 PolarHBondContact OD1-OG 2.98Å; D130-S132 PolarHBondContact OD2-OG 3.09Å; D130-V133 HydrophobicContact CB-CG1 4.18Å; D130-V133 WeakPolarHBondContact O-CG1 3.22Å; D130-V133 VanDerWaalsContact O-CG2 3.26Å; D130-V133 WeakPolarHBondContact O-CG2 3.05Å; D130-V133 PolarHBondContact O-N 3.09Å
131	P	80.1	Confident	71.6	Confident	99 Å²	99	69.5 Å²	69.5	64%	0.643	37%	0.371	S	S	*	.	G	3₁₀ helix	trans	-59.6	-18.1	179.8	-26.6	35.8	0	0	0	114.8	V133	P131-V133 PolarHBondContact O-N 3.32Å
132	S	75.9	Confident	70	Confident	87 Å²	87	70.3 Å²	70.3	61%	0.608	38%	0.378	S	S	*	.	G	3₁₀ helix	trans	-67.7	-15	-177	73.8	0	0	0	0	113.6	D130 L134	D130-S132 PolarHBondContact O-N 3.33Å; D130-S132 VanDerWaalsContact OD1-CB 3.28Å; D130-S132 WeakPolarHBondContact OD1-CB 3.29Å; D130-S132 PolarHBondContact OD1-N 3.4Å; D130-S132 PolarHBondContact OD1-OG 2.98Å; D130-S132 PolarHBondContact OD2-OG 3.09Å; S132-L134 VanDerWaalsContact C-N 3.27Å; S132-L134 PolarHBondContact O-N 2.7Å
133	V	79.5	Confident	68.8	Low	19 Å²	19	71.2 Å²	71.2	12%	0.115	39%	0.385	C	S	.	.	G	3₁₀ helix	trans	-73.3	-9.9	-175.7	-56	0	0	0	0	114.8	I123 D130 P131 N218 R246	I123-V133 HydrophobicContact CD1-CB 3.78Å; I123-V133 HydrophobicContact CD1-CG2 3.61Å; I123-V133 HydrophobicContact CG1-CG2 4.18Å; D130-V133 HydrophobicContact CB-CG1 4.18Å; D130-V133 WeakPolarHBondContact O-CG1 3.22Å; D130-V133 VanDerWaalsContact O-CG2 3.26Å; D130-V133 WeakPolarHBondContact O-CG2 3.05Å; D130-V133 PolarHBondContact O-N 3.09Å; P131-V133 PolarHBondContact O-N 3.32Å; V133-N218 PolarHBondContact O-ND2 3.37Å; V133-R246 PolarHBondContact O-NH1 2.68Å
134	L	73.6	Confident	67.7	Low	89 Å²	89	74.9 Å²	74.9	47%	0.466	40%	0.4	S	S	.	.	G	3₁₀ helix	trans	-90.3	5.4	-163.6	-76.4	178.4	0	0	0	117.7	I123 S132 S136 R246	I123-L134 HydrophobicContact CG1-CD2 4.26Å; S132-L134 VanDerWaalsContact C-N 3.27Å; S132-L134 PolarHBondContact O-N 2.7Å; L134-S136 PolarHBondContact O-N 3.05Å; L134-R246 VanDerWaalsContact CA-NH1 3.34Å; L134-R246 PolarHBondContact O-NH1 2.94Å
135	E	57.1	Low	67	Low	180 Å²	180	78.7 Å²	78.7	84%	0.841	42%	0.422	S	S	*	.			trans	-74	80.8	-178.1	-66.5	-173.3	167.2	0	0	114.5
136	S	54.2	Low	66.7	Low	35 Å²	35	82.8 Å²	82.8	25%	0.245	44%	0.444	C	S	.	.			trans	-168.9	160.7	158.8	71.5	0	0	0	0	114.3	L134 R246	L134-S136 PolarHBondContact O-N 3.05Å; S136-R246 VanDerWaalsContact OG-CZ 3.25Å; S136-R246 PolarHBondContact OG-NH2 2.88Å; S136-R246 VanDerWaalsContact OG-NH2 3.1Å
137	K	47.9	Very low	66.9	Low	192 Å²	192	83.5 Å²	83.5	84%	0.835	45%	0.445	S	S	*	.			trans	-115.4	132.8	179.9	-68.9	-179.5	178.8	178.9	0	112.2	T154	K137-T154 WeakPolarHBondContact O-CG2 3.42Å
138	P	48.1	Very low	67.2	Low	71 Å²	71	83.6 Å²	83.6	46%	0.461	44%	0.444	S	S	.	.			trans	-87.5	152.3	178.9	22.8	-24.6	0	0	0	117.2	T154	P138-T154 HydrophobicContact CB-CG2 3.53Å; P138-T154 VanDerWaalsContact CB-OG1 3.23Å; P138-T154 WeakPolarHBondContact CB-OG1 3.4Å; P138-T154 HydrophobicContact CG-CG2 4.24Å; P138-T154 WeakPolarHBondContact CG-OG1 3.42Å
139	E	48.1	Very low	67.6	Low	113 Å²	113	78.6 Å²	78.6	53%	0.528	42%	0.418	S	S	.	.			trans	-149.2	170.9	176.7	-67.7	-172.5	-177.4	0	0	109.8	I152 W332	E139-I152 WeakPolarHBondContact O-CB 3.46Å; E139-I152 WeakPolarHBondContact O-CG2 3.44Å; E139-W332 HydrophobicContact CB-CH2 4.3Å; E139-W332 HydrophobicContact CB-CZ2 3.58Å; E139-W332 HydrophobicContact CG-CZ2 4.19Å
140	L	48.6	Very low	68.2	Low	32 Å²	32	75.1 Å²	75.1	17%	0.168	39%	0.394	C	S	.	.			trans	-157.4	79	-171.2	-140.6	162.9	0	0	0	116.9	I282 F283 W332	L140-I282 HydrophobicContact CD1-CG2 4.07Å; L140-F283 WeakPolarHBondContact CB-O 3.32Å; L140-W332 VanDerWaalsContact CA-CH2 3.49Å; L140-W332 HydrophobicContact CB-CH2 4.39Å; L140-W332 HydrophobicContact CB-CZ3 3.91Å; L140-W332 WeakPolarHBondContact O-CH2 3.5Å; L140-W332 WeakPolarHBondContact O-CZ3 3.49Å
141	S	47.4	Very low	68.7	Low	38 Å²	38	71.8 Å²	71.8	27%	0.266	38%	0.377	S	S	.	.			trans	-96.9	154.8	-163.2	58.4	0	0	0	0	117.7	H150	S141-H150 CarbonylContact O-C 3.53Å; S141-H150 WeakPolarHBondContact O-CA 3.41Å; S141-H150 WeakPolarHBondContact O-CB 3.27Å; S141-H150 PolarHBondContact O-N 2.84Å; S141-H150 VanDerWaalsContact O-N 3.1Å
142	A	53.8	Low	69.3	Low	20 Å²	20	68.6 Å²	68.6	17%	0.165	35%	0.354	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.9	132.3	167.5	0	0	0	0	0	110.6	L149 L267	A142-L149 HydrophobicContact CB-CD1 4Å; A142-L267 HydrophobicContact CB-CD1 4.32Å
143	D	62.7	Low	70.1	Confident	46 Å²	46	65 Å²	65	25%	0.246	33%	0.328	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.7	94.1	179.6	-175.7	-14.9	0	0	0	110	E145 N146 H147 I148	D143-E145 VanDerWaalsContact C-N 3.33Å; D143-E145 PolarHBondContact OD1-N 2.9Å; D143-E145 VanDerWaalsContact OD1-N 3.12Å; D143-N146 PolarHBondContact OD1-N 3.42Å; D143-N146 VanDerWaalsContact OD1-N 3.07Å; D143-N146 PolarHBondContact OD2-ND2 3.36Å; D143-H147 PolarHBondContact O-N 3.06Å; D143-I148 CarbonylContact C-O 3.58Å; D143-I148 HydrophobicContact CB-CB 4.5Å; D143-I148 PolarHBondContact N-O 2.62Å; D143-I148 PolarHBondContact O-N 2.7Å; D143-I148 VanDerWaalsContact O-O 3.09Å
144	K	64.8	Low	70.5	Confident	82 Å²	82	64.6 Å²	64.6	36%	0.357	33%	0.326	S	S	.	.	T	Hydrogen-bonded Turn	trans	-66.3	-34.9	-179.9	-73.9	-167	170.9	-156.4	0	112.6	H147 L262 E263	K144-H147 PolarHBondContact O-N 2.88Å; K144-H147 PolarHBondContact O-ND1 3.05Å; K144-H147 VanDerWaalsContact O-ND1 3.13Å; K144-L262 WeakPolarHBondContact CE-O 3.17Å; K144-L262 HydrophobicContact CG-CB 4.41Å; K144-E263 IonicContact NZ-OE1 3.38Å; K144-E263 PolarHBondContact NZ-OE1 2.9Å; K144-E263 IonicContact NZ-OE2 3.18Å; K144-E263 PolarHBondContact NZ-OE2 2.87Å
145	E	69.7	Low	71.3	Confident	172 Å²	172	60.4 Å²	60.4	80%	0.804	30%	0.304	S	S	*	.	T	Hydrogen-bonded Turn	trans	-66.9	-41	-174.3	-65.8	-177.4	177.6	0	0	111	D143	D143-E145 VanDerWaalsContact C-N 3.33Å; D143-E145 PolarHBondContact OD1-N 2.9Å; D143-E145 VanDerWaalsContact OD1-N 3.12Å
146	N	77.4	Confident	72.9	Confident	101 Å²	101	52.9 Å²	52.9	54%	0.54	27%	0.269	S	S	.	.	T	Hydrogen-bonded Turn	trans	-92.2	0.1	179.3	-65.7	-57.2	0	0	0	114	D143 I148	D143-N146 PolarHBondContact OD1-N 3.42Å; D143-N146 VanDerWaalsContact OD1-N 3.07Å; D143-N146 PolarHBondContact OD2-ND2 3.36Å; N146-I148 VanDerWaalsContact C-N 3.33Å; N146-I148 HydrophobicContact CB-CD1 3.86Å; N146-I148 HydrophobicContact CB-CG1 4.04Å; N146-I148 WeakPolarHBondContact O-CG1 3.4Å
147	H	88.1	Confident	74.7	Confident	70 Å²	70	51.5 Å²	51.5	32%	0.324	26%	0.26	S	S	.	.	T	Hydrogen-bonded Turn	trans	58.6	41.6	-174.7	-49.3	-41.6	0	0	0	113.2	D143 K144 M254 R259 L262	D143-H147 PolarHBondContact O-N 3.06Å; K144-H147 PolarHBondContact O-N 2.88Å; K144-H147 PolarHBondContact O-ND1 3.05Å; K144-H147 VanDerWaalsContact O-ND1 3.13Å; H147-M254 WeakPolarHBondContact O-CB 3.44Å; H147-M254 WeakPolarHBondContact O-CG 3.19Å; H147-M254 PolarHBondContact O-N 2.82Å; H147-M254 VanDerWaalsContact O-N 3.09Å; H147-R259 PolarHBondContact CD2-NH2 2.91Å; H147-L262 HydrophobicContact CB-CD1 4.16Å
148	I	89.9	Confident	77	Confident	22 Å²	22	43.9 Å²	43.9	11%	0.113	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.1	130.2	-177.6	-54.8	173.2	0	0	0	109.7	D143 N146 H150 L252 H253	D143-I148 CarbonylContact C-O 3.58Å; D143-I148 HydrophobicContact CB-CB 4.5Å; D143-I148 PolarHBondContact N-O 2.62Å; D143-I148 PolarHBondContact O-N 2.7Å; D143-I148 VanDerWaalsContact O-O 3.09Å; N146-I148 VanDerWaalsContact C-N 3.33Å; N146-I148 HydrophobicContact CB-CD1 3.86Å; N146-I148 HydrophobicContact CB-CG1 4.04Å; N146-I148 WeakPolarHBondContact O-CG1 3.4Å; I148-H150 WeakPolarHBondContact CG2-CE1 3.32Å; I148-L252 WeakPolarHBondContact CA-O 3.44Å; I148-H253 VanDerWaalsContact CD1-CE1 3.4Å; I148-H253 WeakPolarHBondContact CD1-CE1 3.23Å
149	L	91.9	Very high	79.2	Confident	6 Å²	6	41.7 Å²	41.7	3%	0.031	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.5	123.7	167.7	179.6	60.7	0	0	0	109	F108 A142 L252 M254 L262 L267	F108-L149 HydrophobicContact CE2-CD2 3.7Å; F108-L149 HydrophobicContact CZ-CD2 3.82Å; A142-L149 HydrophobicContact CB-CD1 4Å; L149-L252 HydrophobicContact CB-CB 4.34Å; L149-L252 HydrophobicContact CD2-CD1 4.25Å; L149-L252 PolarHBondContact N-O 3.49Å; L149-L252 VanDerWaalsContact N-O 3.13Å; L149-L252 PolarHBondContact O-N 3.28Å; L149-M254 HydrophobicContact CB-SD 4Å; L149-L262 HydrophobicContact CB-CD2 4.11Å; L149-L267 HydrophobicContact CD1-CD1 3.84Å; L149-L267 HydrophobicContact CD1-CD2 4.08Å; L149-L267 HydrophobicContact CD2-CD2 3.91Å
150	H	92.5	Very high	81.4	Confident	31 Å²	31	41.2 Å²	41.2	14%	0.144	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.2	130.2	174.3	-51	-82.4	0	0	0	110.8	S141 I148 I152 I249 V250 S251	S141-H150 CarbonylContact O-C 3.53Å; S141-H150 WeakPolarHBondContact O-CA 3.41Å; S141-H150 WeakPolarHBondContact O-CB 3.27Å; S141-H150 PolarHBondContact O-N 2.84Å; S141-H150 VanDerWaalsContact O-N 3.1Å; I148-H150 WeakPolarHBondContact CG2-CE1 3.32Å; H150-I152 HydrophobicContact CB-CD1 4.38Å; H150-I152 HydrophobicContact CB-CG1 4.14Å; H150-I249 HydrophobicContact CB-CG2 4.27Å; H150-V250 CarbonylContact C-O 3.58Å; H150-V250 WeakPolarHBondContact CA-O 3.29Å; H150-S251 PolarHBondContact CE1-OG 2.85Å; H150-S251 WeakPolarHBondContact ND1-CB 3.42Å; H150-S251 PolarHBondContact ND1-OG 3.46Å
151	V	92.3	Very high	83.6	Confident	3 Å²	3	45.9 Å²	45.9	2%	0.018	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.8	115.5	165.4	-177.3	0	0	0	0	106.9	L109 L112 V250	L109-V151 HydrophobicContact CD1-CG2 4.11Å; L112-V151 HydrophobicContact CB-CG1 4.39Å; L112-V151 HydrophobicContact CB-CG2 4.37Å; L112-V151 HydrophobicContact CD1-CG2 4.05Å; V151-V250 HydrophobicContact CB-CB 4.49Å; V151-V250 PolarHBondContact N-O 2.77Å; V151-V250 PolarHBondContact O-N 3.16Å
152	I	92	Very high	85.8	Confident	31 Å²	31	47 Å²	47	16%	0.159	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.2	131.6	-172.2	-54.9	171.7	0	0	0	108	E139 H150 T248 I249	E139-I152 WeakPolarHBondContact O-CB 3.46Å; E139-I152 WeakPolarHBondContact O-CG2 3.44Å; H150-I152 HydrophobicContact CB-CD1 4.38Å; H150-I152 HydrophobicContact CB-CG1 4.14Å; I152-T248 WeakPolarHBondContact CA-O 3.41Å; I152-I249 HydrophobicContact CB-CG1 4.36Å; I152-I249 HydrophobicContact CD1-CD1 4.25Å; I152-I249 HydrophobicContact CG1-CB 4.36Å; I152-I249 HydrophobicContact CG1-CD1 4.18Å; I152-I249 HydrophobicContact CG1-CG1 3.91Å; I152-I249 HydrophobicContact CG1-CG2 4.02Å; I152-I249 HydrophobicContact CG2-CG1 4.04Å
153	D	91.7	Very high	87.7	Confident	13 Å²	13	46 Å²	46	7%	0.07	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.6	153.9	175.2	77.4	80.2	0	0	0	111.6	G155 G247 T248	D153-G155 WeakPolarHBondContact OD1-CA 3.2Å; D153-G155 PolarHBondContact OD1-N 2.81Å; D153-G247 WeakPolarHBondContact O-CA 3.23Å; D153-T248 PolarHBondContact N-O 3.23Å; D153-T248 PolarHBondContact O-N 3.19Å; D153-T248 WeakPolarHBondContact OD2-CB 3.32Å
154	T	89.6	Confident	89.2	Confident	10 Å²	10	47 Å²	47	6%	0.061	24%	0.235	C	C	.	.			trans	-110.5	32.8	173	53.2	0	0	0	0	112.3	K137 P138 R246	K137-T154 WeakPolarHBondContact O-CG2 3.42Å; P138-T154 HydrophobicContact CB-CG2 3.53Å; P138-T154 VanDerWaalsContact CB-OG1 3.23Å; P138-T154 WeakPolarHBondContact CB-OG1 3.4Å; P138-T154 HydrophobicContact CG-CG2 4.24Å; P138-T154 WeakPolarHBondContact CG-OG1 3.42Å; T154-R246 PolarHBondContact O-NE 3.15Å; T154-R246 PolarHBondContact O-NH2 2.76Å
155	G	90.3	Very high	90.5	Very high	0 Å²	0	44.8 Å²	44.8	0%	0	23%	0.23	C	C	.	.	S	Bend	trans	-66.4	-161	173.6	0	0	0	0	0	112	A119 D153 G157 R246	A119-G155 VanDerWaalsContact C-CA 3.44Å; A119-G155 VanDerWaalsContact O-CA 3.27Å; A119-G155 WeakPolarHBondContact O-CA 3.4Å; D153-G155 WeakPolarHBondContact OD1-CA 3.2Å; D153-G155 PolarHBondContact OD1-N 2.81Å; G155-G157 PolarHBondContact O-N 3.32Å; G155-R246 WeakPolarHBondContact O-CD 3.42Å; G155-R246 VanDerWaalsContact O-CG 3.28Å; G155-R246 WeakPolarHBondContact O-CG 3.46Å; G155-R246 PolarHBondContact O-NE 2.99Å
156	I	90.6	Very high	91.6	Very high	23 Å²	23	38 Å²	38	12%	0.118	20%	0.199	C	C	.	.			trans	-64.4	-25.7	-177.6	-165.9	180	0	0	0	113.9	A119 K122 I123 L126 H217	A119-I156 PolarHBondContact O-N 3.18Å; K122-I156 HydrophobicContact CB-CB 4.29Å; K122-I156 HydrophobicContact CB-CD1 4.39Å; K122-I156 HydrophobicContact CB-CG2 4.06Å; K122-I156 HydrophobicContact CD-CG2 4.12Å; I123-I156 HydrophobicContact CB-CB 4.23Å; I123-I156 HydrophobicContact CD1-CG1 4.4Å; L126-I156 HydrophobicContact CD1-CD1 3.35Å; L126-I156 HydrophobicContact CD1-CG1 4.11Å; I156-H217 WeakPolarHBondContact CG1-NE2 3.16Å; I156-H217 PolarHBondContact O-CD2 3.35Å
157	G	92.1	Very high	92.2	Very high	5 Å²	5	34.1 Å²	34.1	5%	0.052	18%	0.178	C	C	.	.			trans	75.5	-174.8	-171.2	0	0	0	0	0	112.8	G155 S215	G155-G157 PolarHBondContact O-N 3.32Å; G157-S215 WeakPolarHBondContact CA-OG 3.35Å
158	M	95.1	Very high	92	Very high	33 Å²	33	32 Å²	32	16%	0.163	18%	0.176	C	C	.	.			trans	-135.2	136.5	178.4	-72.4	173.7	-75.9	0	0	110.7	E162 L163 L167 V213 S215 T248	M158-E162 HydrophobicContact CB-CB 4Å; M158-E162 HydrophobicContact CG-CB 4.22Å; M158-L163 HydrophobicContact CB-CD2 4.03Å; M158-L163 HydrophobicContact CB-CG 4Å; M158-L163 HydrophobicContact CE-CD2 3.79Å; M158-L163 HydrophobicContact SD-CD2 4.11Å; M158-L167 HydrophobicContact CE-CD1 3.93Å; M158-L167 HydrophobicContact CE-CG 4.37Å; M158-L167 HydrophobicContact SD-CD1 4.22Å; M158-L167 HydrophobicContact SD-CD2 4.31Å; M158-L167 HydrophobicContact SD-CG 4.06Å; M158-V213 HydrophobicContact CE-CG1 4.22Å; M158-S215 PolarHBondContact N-OG 3.34Å; M158-T248 HydrophobicContact CE-CG2 4.22Å
159	T	94.3	Very high	91.8	Very high	25 Å²	25	34 Å²	34	15%	0.153	19%	0.189	C	C	.	.			trans	-69.9	166.3	167.6	63.4	0	0	0	0	110.9	N161 E162 L163 H217 D220	T159-N161 PolarHBondContact O-N 3.22Å; T159-E162 WeakPolarHBondContact CG2-OE2 3.37Å; T159-E162 PolarHBondContact N-OE2 3.08Å; T159-E162 PolarHBondContact O-N 3.42Å; T159-E162 VanDerWaalsContact O-N 3.1Å; T159-E162 VanDerWaalsContact OG1-CG 3.31Å; T159-E162 WeakPolarHBondContact OG1-CG 3.39Å; T159-E162 PolarHBondContact OG1-N 3.18Å; T159-E162 PolarHBondContact OG1-OE2 2.96Å; T159-L163 PolarHBondContact O-N 2.83Å; T159-H217 HydrophobicContact CG2-CB 3.91Å; T159-D220 WeakPolarHBondContact CA-OD2 3.49Å; T159-D220 WeakPolarHBondContact CB-OD2 3.37Å; T159-D220 HydrophobicContact CG2-CB 3.86Å
160	K	95	Very high	91.4	Very high	103 Å²	103	35.1 Å²	35.1	45%	0.448	19%	0.194	S	C	.	.	H	α-helix	trans	-53.1	-42.6	173.7	-175.2	-179.9	178.2	177.8	0	112.2	L163 V164 D220 V234	K160-L163 PolarHBondContact O-N 2.83Å; K160-V164 WeakPolarHBondContact O-CG2 3.3Å; K160-V164 PolarHBondContact O-N 3.43Å; K160-D220 PolarHBondContact N-OD2 3.15Å; K160-V234 HydrophobicContact CG-CG1 4.11Å
161	N	94.5	Very high	90.9	Very high	129 Å²	129	37.1 Å²	37.1	69%	0.69	22%	0.216	S	C	*	.	H	α-helix	trans	-66.7	-39.8	-179.7	-72.5	-21.1	0	0	0	111.3	T159 V164 S165	T159-N161 PolarHBondContact O-N 3.22Å; N161-V164 PolarHBondContact O-N 2.79Å; N161-S165 VanDerWaalsContact O-CB 3.3Å; N161-S165 WeakPolarHBondContact O-CB 3.43Å; N161-S165 PolarHBondContact O-N 2.87Å; N161-S165 PolarHBondContact O-OG 3.08Å; N161-S165 VanDerWaalsContact O-OG 3.1Å
162	E	94	Very high	90.6	Very high	62 Å²	62	40.4 Å²	40.4	29%	0.29	23%	0.23	S	C	.	.	H	α-helix	trans	-70.3	-36.2	176.9	-71.7	170.1	135.4	0	0	112.7	M158 T159 V164 S165 N166	M158-E162 HydrophobicContact CB-CB 4Å; M158-E162 HydrophobicContact CG-CB 4.22Å; T159-E162 WeakPolarHBondContact CG2-OE2 3.37Å; T159-E162 PolarHBondContact N-OE2 3.08Å; T159-E162 PolarHBondContact O-N 3.42Å; T159-E162 VanDerWaalsContact O-N 3.1Å; T159-E162 VanDerWaalsContact OG1-CG 3.31Å; T159-E162 WeakPolarHBondContact OG1-CG 3.39Å; T159-E162 PolarHBondContact OG1-N 3.18Å; T159-E162 PolarHBondContact OG1-OE2 2.96Å; E162-V164 VanDerWaalsContact C-N 3.3Å; E162-V164 PolarHBondContact O-N 3.28Å; E162-S165 PolarHBondContact O-N 3.03Å; E162-N166 WeakPolarHBondContact O-CA 3.32Å; E162-N166 WeakPolarHBondContact O-CB 3.46Å; E162-N166 PolarHBondContact O-N 3.42Å
163	L	93.7	Very high	90.2	Very high	0 Å²	0	39.6 Å²	39.6	0%	0	23%	0.228	C	C	.	.	I	π-helix	trans	-58	-45.3	171.5	-73.6	170.9	0	0	0	110.7	M158 T159 K160 L167 G168 V213 H223 W225 V234	M158-L163 HydrophobicContact CB-CD2 4.03Å; M158-L163 HydrophobicContact CB-CG 4Å; M158-L163 HydrophobicContact CE-CD2 3.79Å; M158-L163 HydrophobicContact SD-CD2 4.11Å; T159-L163 PolarHBondContact O-N 2.83Å; K160-L163 PolarHBondContact O-N 2.83Å; L163-L167 HydrophobicContact CD2-CD1 3.75Å; L163-L167 WeakPolarHBondContact O-CB 3.39Å; L163-L167 PolarHBondContact O-N 3.34Å; L163-G168 PolarHBondContact O-N 3.14Å; L163-V213 HydrophobicContact CD2-CG1 4.28Å; L163-H223 HydrophobicContact CD1-CB 3.61Å; L163-W225 HydrophobicContact CD1-CB 4.38Å; L163-W225 HydrophobicContact CD2-CB 4.08Å; L163-V234 HydrophobicContact CD1-CG1 4.28Å
164	V	93.7	Very high	89.7	Confident	65 Å²	65	39.8 Å²	39.8	39%	0.394	23%	0.233	S	C	.	.	I	π-helix	trans	-69.4	-46.8	177.8	176.1	0	0	0	0	111.4	K160 N161 E162 G168 F232 V234	K160-V164 WeakPolarHBondContact O-CG2 3.3Å; K160-V164 PolarHBondContact O-N 3.43Å; N161-V164 PolarHBondContact O-N 2.79Å; E162-V164 VanDerWaalsContact C-N 3.3Å; E162-V164 PolarHBondContact O-N 3.28Å; V164-G168 VanDerWaalsContact O-CA 3.23Å; V164-G168 WeakPolarHBondContact O-CA 3.36Å; V164-G168 PolarHBondContact O-N 3.29Å; V164-F232 HydrophobicContact CG1-CZ 4.4Å; V164-F232 HydrophobicContact CG2-CE2 4.39Å; V164-V234 HydrophobicContact CG2-CG2 4Å
165	S	92.1	Very high	89.3	Confident	36 Å²	36	39.9 Å²	39.9	25%	0.252	23%	0.233	S	C	.	.	I	π-helix	trans	-81.1	-33.4	-171.5	73.4	0	0	0	0	113.9	N161 E162 T169 K172	N161-S165 VanDerWaalsContact O-CB 3.3Å; N161-S165 WeakPolarHBondContact O-CB 3.43Å; N161-S165 PolarHBondContact O-N 2.87Å; N161-S165 PolarHBondContact O-OG 3.08Å; N161-S165 VanDerWaalsContact O-OG 3.1Å; E162-S165 PolarHBondContact O-N 3.03Å; S165-T169 WeakPolarHBondContact O-CB 3.44Å; S165-T169 PolarHBondContact O-OG1 3.1Å; S165-K172 WeakPolarHBondContact O-CD 3.27Å
166	N	91.9	Very high	88.9	Confident	29 Å²	29	42.3 Å²	42.3	16%	0.155	25%	0.25	C	S	.	.	I	π-helix	trans	-97	-44.6	-173.1	-57.2	-15.9	0	0	0	111.6	E162	E162-N166 WeakPolarHBondContact O-CA 3.32Å; E162-N166 WeakPolarHBondContact O-CB 3.46Å; E162-N166 PolarHBondContact O-N 3.42Å
167	L	90.4	Very high	88.6	Confident	20 Å²	20	44.6 Å²	44.6	11%	0.105	26%	0.263	C	S	.	.	I	π-helix	trans	-85.2	-28.5	176.8	-56.5	-176.3	0	0	0	112.5	M158 L163 F201 Y202 V213 W225	M158-L167 HydrophobicContact CE-CD1 3.93Å; M158-L167 HydrophobicContact CE-CG 4.37Å; M158-L167 HydrophobicContact SD-CD1 4.22Å; M158-L167 HydrophobicContact SD-CD2 4.31Å; M158-L167 HydrophobicContact SD-CG 4.06Å; L163-L167 HydrophobicContact CD2-CD1 3.75Å; L163-L167 WeakPolarHBondContact O-CB 3.39Å; L163-L167 PolarHBondContact O-N 3.34Å; L167-F201 HydrophobicContact CB-CE1 4.37Å; L167-F201 HydrophobicContact CD1-CZ 4.28Å; L167-F201 HydrophobicContact CD2-CD1 4.02Å; L167-F201 HydrophobicContact CD2-CD2 4.23Å; L167-F201 HydrophobicContact CD2-CE1 4.26Å; L167-F201 HydrophobicContact CD2-CE2 4.47Å; L167-F201 HydrophobicContact CD2-CG 4Å; L167-F201 HydrophobicContact CD2-CZ 4.49Å; L167-Y202 PolarHBondContact O-OH 2.62Å; L167-V213 HydrophobicContact CD1-CB 4.37Å; L167-V213 HydrophobicContact CD1-CG1 4.11Å; L167-V213 HydrophobicContact CD1-CG2 4.22Å; L167-W225 HydrophobicContact CB-CZ2 4.36Å; L167-W225 HydrophobicContact CD1-CD2 4.41Å
168	G	84.8	Confident	88.1	Confident	27 Å²	27	46 Å²	46	28%	0.278	27%	0.267	S	S	.	.	S	Bend	trans	-83.3	-5.1	179.3	0	0	0	0	0	115.3	L163 V164 F232	L163-G168 PolarHBondContact O-N 3.14Å; V164-G168 VanDerWaalsContact O-CA 3.23Å; V164-G168 WeakPolarHBondContact O-CA 3.36Å; V164-G168 PolarHBondContact O-N 3.29Å; G168-F232 VanDerWaalsContact CA-CE1 3.43Å
169	T	84.7	Confident	87.3	Confident	62 Å²	62	45.8 Å²	45.8	38%	0.38	27%	0.268	S	S	.	.	S	Bend	trans	-120	116.5	-178.7	-54.5	0	0	0	0	110.8	S165 K172 Y202	S165-T169 WeakPolarHBondContact O-CB 3.44Å; S165-T169 PolarHBondContact O-OG1 3.1Å; T169-K172 HydrophobicContact CG2-CB 3.88Å; T169-K172 HydrophobicContact CG2-CD 4.32Å; T169-K172 PolarHBondContact O-N 3.27Å; T169-Y202 PolarHBondContact O-OH 3Å
170	I	84.5	Confident	86.5	Confident	30 Å²	30	48 Å²	48	15%	0.154	28%	0.282	C	S	.	.	T	Hydrogen-bonded Turn	trans	-65.1	140.5	175.7	-58.3	174.2	0	0	0	110	V90 M93 M94 I97 K172 V199 Y202	V90-I170 HydrophobicContact CG1-CD1 3.89Å; M93-I170 HydrophobicContact CB-CD1 4.1Å; M93-I170 HydrophobicContact CG-CD1 3.95Å; M93-I170 HydrophobicContact CG-CG2 4.25Å; M93-I170 HydrophobicContact SD-CB 4.1Å; M93-I170 HydrophobicContact SD-CD1 3.87Å; M93-I170 HydrophobicContact SD-CG2 3.6Å; M94-I170 HydrophobicContact CG-CD1 3.78Å; M94-I170 HydrophobicContact SD-CD1 3.62Å; M94-I170 HydrophobicContact SD-CG1 4.01Å; I97-I170 HydrophobicContact CD1-CD1 4.39Å; I97-I170 HydrophobicContact CD1-CG2 3.51Å; I170-K172 PolarHBondContact O-N 3.46Å; I170-V199 HydrophobicContact CG2-CG1 4.33Å; I170-Y202 HydrophobicContact CB-CE2 4.45Å; I170-Y202 HydrophobicContact CG1-CE2 4.05Å
171	A	82.6	Confident	85.8	Confident	73 Å²	73	50.4 Å²	50.4	60%	0.603	29%	0.292	S	S	*	.	T	Hydrogen-bonded Turn	trans	64.8	24.8	178.9	0	0	0	0	0	114.3	F197 G198	A171-F197 WeakPolarHBondContact CA-O 3.37Å; A171-G198 PolarHBondContact N-O 2.8Å
172	K	84.7	Confident	84.8	Confident	72 Å²	72	45.3 Å²	45.3	31%	0.313	26%	0.264	S	S	.	.			trans	-111.1	126	168.9	-178.3	158.5	170.2	177.6	0	110	S165 T169 I170 G198	S165-K172 WeakPolarHBondContact O-CD 3.27Å; T169-K172 HydrophobicContact CG2-CB 3.88Å; T169-K172 HydrophobicContact CG2-CD 4.32Å; T169-K172 PolarHBondContact O-N 3.27Å; I170-K172 PolarHBondContact O-N 3.46Å; K172-G198 WeakPolarHBondContact O-CA 3.28Å
173	S	83.8	Confident	83.6	Confident	15 Å²	15	47.3 Å²	47.3	11%	0.105	27%	0.274	C	S	.	.			trans	-115.7	111	178.2	178.2	0	0	0	0	110.3	T175 S176 D177 G195 Q196	S173-T175 PolarHBondContact O-N 3.27Å; S173-T175 VanDerWaalsContact O-N 3.15Å; S173-T175 PolarHBondContact OG-N 3.14Å; S173-S176 WeakPolarHBondContact O-CB 3.25Å; S173-S176 PolarHBondContact O-N 2.76Å; S173-S176 PolarHBondContact OG-N 3.11Å; S173-D177 PolarHBondContact O-N 2.71Å; S173-D177 VanDerWaalsContact O-N 3.11Å; S173-G195 PolarHBondContact OG-O 2.79Å; S173-Q196 WeakPolarHBondContact CB-O 3.5Å
174	G	81.3	Confident	82.6	Confident	17 Å²	17	54.7 Å²	54.7	18%	0.175	31%	0.309	C	S	.	.	H	α-helix	trans	-62.9	-16.3	170.5	0	0	0	0	0	113	K122 F178	K122-G174 VanDerWaalsContact NZ-C 3.28Å; K122-G174 PolarHBondContact NZ-O 3.27Å; K122-G174 VanDerWaalsContact NZ-O 3.13Å; G174-F178 WeakPolarHBondContact O-CB 3.41Å; G174-F178 PolarHBondContact O-N 3.21Å
175	T	81.9	Confident	81.3	Confident	12 Å²	12	55.2 Å²	55.2	7%	0.074	32%	0.32	C	S	.	.	H	α-helix	trans	-75	-43.2	170.9	-61.2	0	0	0	0	111	D118 K122 S173 D177 F178 V179 L193 G195	D118-T175 HydrophobicContact CB-CG2 4.37Å; D118-T175 WeakPolarHBondContact OD2-CG2 3.36Å; D118-T175 PolarHBondContact OD2-OG1 3.09Å; K122-T175 WeakPolarHBondContact CE-OG1 3.49Å; K122-T175 VanDerWaalsContact NZ-CA 3.3Å; K122-T175 PolarHBondContact NZ-OG1 3.26Å; S173-T175 PolarHBondContact O-N 3.27Å; S173-T175 VanDerWaalsContact O-N 3.15Å; S173-T175 PolarHBondContact OG-N 3.14Å; T175-D177 VanDerWaalsContact C-N 3.34Å; T175-D177 PolarHBondContact O-N 3.27Å; T175-F178 PolarHBondContact O-N 2.84Å; T175-V179 HydrophobicContact CG2-CG2 4.47Å; T175-V179 WeakPolarHBondContact O-CG2 3.35Å; T175-V179 PolarHBondContact O-N 3.45Å; T175-L193 HydrophobicContact CG2-CB 3.69Å; T175-L193 HydrophobicContact CG2-CD1 3.92Å; T175-L193 HydrophobicContact CG2-CD2 4Å; T175-L193 HydrophobicContact CG2-CG 4.07Å; T175-G195 VanDerWaalsContact CB-O 3.28Å; T175-G195 WeakPolarHBondContact CB-O 3.2Å; T175-G195 WeakPolarHBondContact CG2-O 3.47Å
176	S	81.2	Confident	80	Confident	51 Å²	51	56.4 Å²	56.4	36%	0.357	33%	0.326	S	S	.	.	H	α-helix	trans	-61.7	-42.8	174.5	-169.3	0	0	0	0	111.7	S173 F178 V179 T180	S173-S176 WeakPolarHBondContact O-CB 3.25Å; S173-S176 PolarHBondContact O-N 2.76Å; S173-S176 PolarHBondContact OG-N 3.11Å; S176-F178 VanDerWaalsContact C-N 3.32Å; S176-F178 PolarHBondContact O-N 3.44Å; S176-V179 WeakPolarHBondContact O-CB 3.33Å; S176-V179 PolarHBondContact O-N 3.14Å; S176-T180 PolarHBondContact O-N 3.05Å; S176-T180 VanDerWaalsContact O-N 3.11Å; S176-T180 PolarHBondContact O-OG1 3.08Å; S176-T180 VanDerWaalsContact O-OG1 3.08Å
177	D	83.8	Confident	78.4	Confident	70 Å²	70	61 Å²	61	37%	0.374	36%	0.357	S	S	.	.	H	α-helix	trans	-64.6	-38	178.1	-69.6	-12.5	0	0	0	111.7	S173 T175 K181	S173-D177 PolarHBondContact O-N 2.71Å; S173-D177 VanDerWaalsContact O-N 3.11Å; T175-D177 VanDerWaalsContact C-N 3.34Å; T175-D177 PolarHBondContact O-N 3.27Å; D177-K181 WeakPolarHBondContact O-CG 3.35Å; D177-K181 PolarHBondContact O-N 3.48Å
178	F	83.2	Confident	76.5	Confident	34 Å²	34	64.6 Å²	64.6	15%	0.149	39%	0.39	C	S	.	.	H	α-helix	trans	-66.2	-44.1	175.7	-174.2	-85.6	0	0	0	111.7	K122 L125 L126 G174 T175 S176 T180 K181 F182 L193	K122-F178 HydrophobicContact CB-CE1 4.42Å; K122-F178 HydrophobicContact CB-CE2 4.17Å; K122-F178 HydrophobicContact CB-CZ 4.13Å; K122-F178 HydrophobicContact CD-CB 4.35Å; K122-F178 HydrophobicContact CD-CD2 4.14Å; K122-F178 HydrophobicContact CD-CG 4.09Å; K122-F178 HydrophobicContact CG-CD1 3.85Å; K122-F178 HydrophobicContact CG-CD2 4.01Å; K122-F178 HydrophobicContact CG-CE1 3.97Å; K122-F178 HydrophobicContact CG-CE2 4.11Å; K122-F178 HydrophobicContact CG-CG 3.87Å; K122-F178 HydrophobicContact CG-CZ 4.09Å; L125-F178 HydrophobicContact CB-CE1 4.42Å; L125-F178 HydrophobicContact CB-CZ 4.35Å; L125-F178 HydrophobicContact CD1-CE1 3.81Å; L126-F178 HydrophobicContact CD1-CE2 4.47Å; L126-F178 HydrophobicContact CD2-CE2 4.38Å; L126-F178 HydrophobicContact CG-CE2 4.29Å; L126-F178 HydrophobicContact CG-CZ 4.32Å; G174-F178 WeakPolarHBondContact O-CB 3.41Å; G174-F178 PolarHBondContact O-N 3.21Å; T175-F178 PolarHBondContact O-N 2.84Å; S176-F178 VanDerWaalsContact C-N 3.32Å; S176-F178 PolarHBondContact O-N 3.44Å; F178-T180 PolarHBondContact O-N 3.42Å; F178-K181 PolarHBondContact O-N 2.97Å; F178-F182 HydrophobicContact CD1-CB 4.43Å; F178-F182 HydrophobicContact CE1-CB 4.23Å; F178-F182 HydrophobicContact CE1-CD2 4.21Å; F178-F182 HydrophobicContact CE1-CG 4.37Å; F178-F182 HydrophobicContact CZ-CD2 4.3Å; F178-F182 VanDerWaalsContact O-CB 3.29Å; F178-F182 WeakPolarHBondContact O-CB 3.49Å; F178-F182 PolarHBondContact O-N 3.31Å; F178-L193 HydrophobicContact CD1-CD1 4.19Å
179	V	77	Confident	75	Confident	29 Å²	29	68.1 Å²	68.1	18%	0.176	40%	0.399	C	S	.	.	H	α-helix	trans	-54.5	-52.4	176.4	170.1	0	0	0	0	110.2	T175 S176 K181 F182 M183 Q191 L193	T175-V179 HydrophobicContact CG2-CG2 4.47Å; T175-V179 WeakPolarHBondContact O-CG2 3.35Å; T175-V179 PolarHBondContact O-N 3.45Å; S176-V179 WeakPolarHBondContact O-CB 3.33Å; S176-V179 PolarHBondContact O-N 3.14Å; V179-K181 PolarHBondContact O-N 3.43Å; V179-F182 PolarHBondContact O-N 2.89Å; V179-M183 HydrophobicContact CG1-CE 3.79Å; V179-M183 HydrophobicContact CG1-CG 4.28Å; V179-M183 HydrophobicContact CG1-SD 3.86Å; V179-M183 WeakPolarHBondContact O-CB 3.16Å; V179-M183 WeakPolarHBondContact O-CG 3.24Å; V179-M183 PolarHBondContact O-N 2.94Å; V179-Q191 VanDerWaalsContact CG1-OE1 3.24Å; V179-L193 HydrophobicContact CG2-CB 4.33Å; V179-L193 HydrophobicContact CG2-CD1 3.44Å; V179-L193 VanDerWaalsContact CG2-CD1 3.44Å
180	T	78.6	Confident	73.5	Confident	72 Å²	72	74 Å²	74	44%	0.442	42%	0.423	S	S	.	.	H	α-helix	trans	-58.9	-49.5	-178.6	-53.8	0	0	0	0	111.2	S176 F178 F182 M183 E184	S176-T180 PolarHBondContact O-N 3.05Å; S176-T180 VanDerWaalsContact O-N 3.11Å; S176-T180 PolarHBondContact O-OG1 3.08Å; S176-T180 VanDerWaalsContact O-OG1 3.08Å; F178-T180 PolarHBondContact O-N 3.42Å; T180-F182 VanDerWaalsContact C-N 3.35Å; T180-F182 PolarHBondContact O-N 3.49Å; T180-M183 PolarHBondContact O-N 3.35Å; T180-E184 WeakPolarHBondContact O-CG 3.15Å; T180-E184 PolarHBondContact O-N 3.32Å; T180-E184 VanDerWaalsContact O-N 3.13Å
181	K	79.5	Confident	72.4	Confident	153 Å²	153	73.8 Å²	73.8	67%	0.665	42%	0.421	S	S	*	.	H	α-helix	trans	-63.2	-38.6	179.1	-71.4	176.5	-178.9	178.7	0	112.8	D177 F178 V179 A185	D177-K181 WeakPolarHBondContact O-CG 3.35Å; D177-K181 PolarHBondContact O-N 3.48Å; F178-K181 PolarHBondContact O-N 2.97Å; V179-K181 PolarHBondContact O-N 3.43Å; K181-A185 PolarHBondContact O-N 2.96Å
182	F	73.1	Confident	71.6	Confident	23 Å²	23	72.5 Å²	72.5	10%	0.101	40%	0.404	C	S	.	.	H	α-helix	trans	-75	-36.5	-179.7	-167.1	-88.6	0	0	0	112.1	L125 F178 V179 T180 E184 A185 T186 Q191	L125-F182 HydrophobicContact CB-CE2 4.07Å; L125-F182 HydrophobicContact CB-CZ 4.28Å; L125-F182 HydrophobicContact CD2-CE1 4.3Å; L125-F182 HydrophobicContact CD2-CZ 3.99Å; F178-F182 HydrophobicContact CD1-CB 4.43Å; F178-F182 HydrophobicContact CE1-CB 4.23Å; F178-F182 HydrophobicContact CE1-CD2 4.21Å; F178-F182 HydrophobicContact CE1-CG 4.37Å; F178-F182 HydrophobicContact CZ-CD2 4.3Å; F178-F182 VanDerWaalsContact O-CB 3.29Å; F178-F182 WeakPolarHBondContact O-CB 3.49Å; F178-F182 PolarHBondContact O-N 3.31Å; V179-F182 PolarHBondContact O-N 2.89Å; T180-F182 VanDerWaalsContact C-N 3.35Å; T180-F182 PolarHBondContact O-N 3.49Å; F182-E184 VanDerWaalsContact C-N 3.3Å; F182-E184 PolarHBondContact O-N 3.44Å; F182-A185 PolarHBondContact O-N 2.85Å; F182-A185 VanDerWaalsContact O-N 3.1Å; F182-T186 WeakPolarHBondContact CD1-OG1 3.49Å; F182-T186 WeakPolarHBondContact CE1-OG1 3.32Å; F182-T186 VanDerWaalsContact CZ-OG1 3.31Å; F182-T186 WeakPolarHBondContact CZ-OG1 3.49Å; F182-T186 PolarHBondContact O-N 3.49Å; F182-T186 PolarHBondContact O-OG1 3.4Å; F182-Q191 VanDerWaalsContact CD1-NE2 3.35Å
183	M	68.7	Low	71.3	Confident	103 Å²	103	69.3 Å²	69.3	51%	0.507	39%	0.39	S	S	.	.	H	α-helix	trans	-65.2	-34.3	174.8	-76.7	-173.8	172	0	0	112.3	V179 T180 A185	V179-M183 HydrophobicContact CG1-CE 3.79Å; V179-M183 HydrophobicContact CG1-CG 4.28Å; V179-M183 HydrophobicContact CG1-SD 3.86Å; V179-M183 WeakPolarHBondContact O-CB 3.16Å; V179-M183 WeakPolarHBondContact O-CG 3.24Å; V179-M183 PolarHBondContact O-N 2.94Å; T180-M183 PolarHBondContact O-N 3.35Å; M183-A185 VanDerWaalsContact C-N 3.27Å; M183-A185 PolarHBondContact O-N 3.47Å
184	E	72.3	Confident	70.8	Confident	156 Å²	156	69.1 Å²	69.1	73%	0.729	39%	0.388	S	S	*	.	H	α-helix	trans	-64.9	-30.7	171.5	-72.6	173.5	-179.9	0	0	112.3	T180 F182	T180-E184 WeakPolarHBondContact O-CG 3.15Å; T180-E184 PolarHBondContact O-N 3.32Å; T180-E184 VanDerWaalsContact O-N 3.13Å; F182-E184 VanDerWaalsContact C-N 3.3Å; F182-E184 PolarHBondContact O-N 3.44Å
185	A	67.3	Low	70.4	Confident	76 Å²	76	68.7 Å²	68.7	63%	0.628	38%	0.383	S	S	*	.	H	α-helix	trans	-87.4	-37.7	-179.5	0	0	0	0	0	113.9	K181 F182 M183	K181-A185 PolarHBondContact O-N 2.96Å; F182-A185 PolarHBondContact O-N 2.85Å; F182-A185 VanDerWaalsContact O-N 3.1Å; M183-A185 VanDerWaalsContact C-N 3.27Å; M183-A185 PolarHBondContact O-N 3.47Å
186	T	64.4	Low	70.1	Confident	60 Å²	60	73.6 Å²	73.6	37%	0.368	41%	0.405	S	S	.	.			trans	-147.2	94.9	-171.9	29.2	0	0	0	0	111.3	F182 A188	F182-T186 WeakPolarHBondContact CD1-OG1 3.49Å; F182-T186 WeakPolarHBondContact CE1-OG1 3.32Å; F182-T186 VanDerWaalsContact CZ-OG1 3.31Å; F182-T186 WeakPolarHBondContact CZ-OG1 3.49Å; F182-T186 PolarHBondContact O-N 3.49Å; F182-T186 PolarHBondContact O-OG1 3.4Å; T186-A188 VanDerWaalsContact C-N 3.25Å; T186-A188 PolarHBondContact O-N 2.9Å
187	P	58.3	Low	70	Confident	125 Å²	125	73.9 Å²	73.9	81%	0.812	40%	0.4	S	S	*	.	T	Hydrogen-bonded Turn	trans	-72.3	-3.8	-174.7	-21.1	32.9	0	0	0	116.6
188	A	51.6	Low	70	Confident	97 Å²	97	71.5 Å²	71.5	80%	0.802	39%	0.393	S	S	*	.	T	Hydrogen-bonded Turn	trans	-98.4	-8.7	-160.7	0	0	0	0	0	115.8	T186	T186-A188 VanDerWaalsContact C-N 3.25Å; T186-A188 PolarHBondContact O-N 2.9Å
189	E	53.1	Low	70.2	Confident	100 Å²	100	70.6 Å²	70.6	47%	0.467	39%	0.39	S	S	.	.			trans	-111.7	116.5	-172.7	-65.9	-172.8	162.1	0	0	111.8	Q191	E189-Q191 PolarHBondContact O-N 3.43Å
190	Q	52.5	Low	70.7	Confident	187 Å²	187	69.6 Å²	69.6	87%	0.874	39%	0.386	S	S	*	.			trans	-64.8	122.1	170.4	-83.9	-177.9	-43.8	0	0	109.4
191	Q	61.5	Low	71.4	Confident	24 Å²	24	67.1 Å²	67.1	11%	0.112	37%	0.369	C	S	.	.			trans	-91.9	134	-171.3	-67.1	177.9	-2	0	0	112.6	V179 F182 E189 L193 R412	V179-Q191 VanDerWaalsContact CG1-OE1 3.24Å; F182-Q191 VanDerWaalsContact CD1-NE2 3.35Å; E189-Q191 PolarHBondContact O-N 3.43Å; Q191-L193 HydrophobicContact CB-CG 4.47Å; Q191-L193 PolarHBondContact O-N 3.38Å; Q191-R412 PolarHBondContact O-NH1 3.31Å
192	D	67.1	Low	72	Confident	46 Å²	46	60.4 Å²	60.4	25%	0.246	34%	0.339	C	S	.	.			trans	-79.4	0.8	178.1	-66.8	-31.8	0	0	0	113.7	R124 R413	R124-D192 IonicContact NH2-OD2 2.87Å; R124-D192 PolarHBondContact NH2-OD2 3.42Å; D192-R413 VanDerWaalsContact CB-NH2 3.28Å; D192-R413 IonicContact OD1-CZ 2.8Å; D192-R413 IonicContact OD1-NH1 2.64Å; D192-R413 IonicContact OD1-NH2 3.92Å; D192-R413 PolarHBondContact OD1-NH2 3.1Å; D192-R413 IonicContact OD2-NH2 3.08Å; D192-R413 PolarHBondContact OD2-NH2 3.08Å
193	L	76.5	Confident	73	Confident	6 Å²	6	59.3 Å²	59.3	3%	0.031	34%	0.335	C	S	.	.			trans	-65.1	136.4	-173.3	-64.9	173.2	0	0	0	112.3	D118 D121 T175 F178 V179 Q191 R412	D118-L193 HydrophobicContact CB-CD2 4.12Å; D118-L193 WeakPolarHBondContact OD1-CA 3.23Å; D121-L193 HydrophobicContact CB-CD2 3.75Å; T175-L193 HydrophobicContact CG2-CB 3.69Å; T175-L193 HydrophobicContact CG2-CD1 3.92Å; T175-L193 HydrophobicContact CG2-CD2 4Å; T175-L193 HydrophobicContact CG2-CG 4.07Å; F178-L193 HydrophobicContact CD1-CD1 4.19Å; V179-L193 HydrophobicContact CG2-CB 4.33Å; V179-L193 HydrophobicContact CG2-CD1 3.44Å; V179-L193 VanDerWaalsContact CG2-CD1 3.44Å; Q191-L193 HydrophobicContact CB-CG 4.47Å; Q191-L193 PolarHBondContact O-N 3.38Å; L193-R412 WeakPolarHBondContact O-CD 2.97Å; L193-R412 PolarHBondContact O-NH1 3.48Å
194	I	74.6	Confident	74.1	Confident	10 Å²	10	54.4 Å²	54.4	5%	0.051	31%	0.31	C	S	.	.			trans	-102.6	-41.4	-169.8	-61.9	158.3	0	0	0	110.9	D118 Q196 V414 R446	D118-I194 PolarHBondContact OD1-N 3.2Å; I194-Q196 PolarHBondContact O-N 2.74Å; I194-V414 HydrophobicContact CD1-CG2 3.52Å; I194-V414 HydrophobicContact CG1-CG2 3.91Å; I194-V414 HydrophobicContact CG2-CG2 4Å; I194-R446 VanDerWaalsContact CG2-NH1 3.3Å; I194-R446 VanDerWaalsContact O-CZ 3.3Å; I194-R446 PolarHBondContact O-NH1 3.3Å; I194-R446 PolarHBondContact O-NH2 2.99Å
195	G	72.7	Confident	75.2	Confident	8 Å²	8	47.2 Å²	47.2	8%	0.082	28%	0.277	C	S	.	.			trans	-77.1	101.1	-169.5	0	0	0	0	0	115.8	D118 S173 T175	D118-G195 VanDerWaalsContact OD2-CA 3.25Å; D118-G195 WeakPolarHBondContact OD2-CA 3.48Å; D118-G195 PolarHBondContact OD2-N 2.82Å; S173-G195 PolarHBondContact OG-O 2.79Å; T175-G195 VanDerWaalsContact CB-O 3.28Å; T175-G195 WeakPolarHBondContact CB-O 3.2Å; T175-G195 WeakPolarHBondContact CG2-O 3.47Å
196	Q	76.3	Confident	76.5	Confident	115 Å²	115	44.2 Å²	44.2	54%	0.537	25%	0.25	S	S	.	.			trans	-107.9	-38.2	178.4	-64.7	-178.8	-4.4	0	0	114.2	S173 I194	S173-Q196 WeakPolarHBondContact CB-O 3.5Å; I194-Q196 PolarHBondContact O-N 2.74Å
197	F	78.8	Confident	77.9	Confident	57 Å²	57	41.4 Å²	41.4	25%	0.25	23%	0.233	C	C	.	.	S	Bend	trans	-80.7	-29	-167.5	-57.5	-71.5	0	0	0	115.9	A171 V199 V444 R446	A171-F197 WeakPolarHBondContact CA-O 3.37Å; F197-V199 HydrophobicContact CB-CG2 3.98Å; F197-V444 HydrophobicContact CD1-CG2 4.47Å; F197-V444 HydrophobicContact CE1-CG2 4.33Å; F197-R446 HydrophobicContact CE2-CG 4.2Å
198	G	82.9	Confident	79.7	Confident	21 Å²	21	35.5 Å²	35.5	22%	0.216	19%	0.194	C	C	.	.	S	Bend	trans	72.6	29.7	-175.1	0	0	0	0	0	114.9	A171 K172	A171-G198 PolarHBondContact N-O 2.8Å; K172-G198 WeakPolarHBondContact O-CA 3.28Å
199	V	87.4	Confident	81.7	Confident	14 Å²	14	35.6 Å²	35.6	9%	0.085	18%	0.182	C	C	.	.			trans	-126.4	-10.2	176.2	-60.5	0	0	0	0	114.3	I97 L101 I170 F197 F201 Y202 V444	I97-V199 HydrophobicContact CD1-CG1 4.1Å; I97-V199 HydrophobicContact CG2-CB 4.48Å; L101-V199 HydrophobicContact CD2-CG2 4.09Å; I170-V199 HydrophobicContact CG2-CG1 4.33Å; F197-V199 HydrophobicContact CB-CG2 3.98Å; V199-F201 PolarHBondContact O-N 3.34Å; V199-Y202 PolarHBondContact O-N 3.32Å; V199-V444 HydrophobicContact CG2-CG1 3.99Å
200	G	88.7	Confident	83.7	Confident	9 Å²	9	35.6 Å²	35.6	9%	0.093	18%	0.177	C	C	.	.	G	3₁₀ helix	trans	-62.7	-37.6	-173.9	0	0	0	0	0	113.7	E111 Y202 S203	E111-G200 WeakPolarHBondContact CB-O 3.2Å; E111-G200 WeakPolarHBondContact OE2-CA 3.46Å; G200-Y202 VanDerWaalsContact C-N 3.28Å; G200-Y202 PolarHBondContact O-N 2.88Å; G200-S203 VanDerWaalsContact O-CB 3.26Å; G200-S203 WeakPolarHBondContact O-CB 3.35Å; G200-S203 PolarHBondContact O-N 2.92Å; G200-S203 VanDerWaalsContact O-N 3.09Å; G200-S203 PolarHBondContact O-OG 2.91Å
201	F	92.9	Very high	85.8	Confident	20 Å²	20	26.7 Å²	26.7	9%	0.088	14%	0.136	C	C	.	.	G	3₁₀ helix	trans	-56.1	-40.5	177.7	171.4	-107.5	0	0	0	113	L112 L167 V199 S203 G204 I211 V213 W225 V250	L112-F201 HydrophobicContact CD2-CD2 4.35Å; L167-F201 HydrophobicContact CB-CE1 4.37Å; L167-F201 HydrophobicContact CD1-CZ 4.28Å; L167-F201 HydrophobicContact CD2-CD1 4.02Å; L167-F201 HydrophobicContact CD2-CD2 4.23Å; L167-F201 HydrophobicContact CD2-CE1 4.26Å; L167-F201 HydrophobicContact CD2-CE2 4.47Å; L167-F201 HydrophobicContact CD2-CG 4Å; L167-F201 HydrophobicContact CD2-CZ 4.49Å; V199-F201 PolarHBondContact O-N 3.34Å; F201-S203 PolarHBondContact O-N 3.04Å; F201-S203 VanDerWaalsContact O-N 3.12Å; F201-G204 PolarHBondContact O-N 3.06Å; F201-G204 VanDerWaalsContact O-N 3.15Å; F201-I211 HydrophobicContact CE2-CG2 4.19Å; F201-I211 HydrophobicContact CZ-CG2 3.99Å; F201-V213 HydrophobicContact CE2-CG2 3.73Å; F201-V213 HydrophobicContact CZ-CG2 3.7Å; F201-W225 AromaticContact CE1-CH2 3.66Å; F201-W225 HydrophobicContact CE1-CH2 3.66Å; F201-W225 HydrophobicContact CE1-CZ2 4.36Å; F201-W225 AromaticContact CE1-CZ3 3.94Å; F201-W225 HydrophobicContact CE1-CZ3 3.94Å; F201-W225 HydrophobicContact CZ-CE3 4.37Å; F201-W225 AromaticContact CZ-CH2 3.92Å; F201-W225 HydrophobicContact CZ-CH2 3.92Å; F201-W225 AromaticContact CZ-CZ3 3.68Å; F201-W225 HydrophobicContact CZ-CZ3 3.68Å; F201-V250 HydrophobicContact CE2-CG1 4.44Å
202	Y	92.5	Very high	87.5	Confident	12 Å²	12	26.4 Å²	26.4	5%	0.047	14%	0.136	C	C	.	.	G	3₁₀ helix	trans	-69.2	-11.5	-177.8	-53.4	-61.8	0	0	0	113.7	M94 L167 T169 I170 V199 G200 G204 F205	M94-Y202 HydrophobicContact CE-CD1 3.57Å; M94-Y202 HydrophobicContact CE-CE1 4.13Å; M94-Y202 HydrophobicContact CE-CG 3.99Å; M94-Y202 HydrophobicContact SD-CD1 3.94Å; M94-Y202 HydrophobicContact SD-CD2 4.44Å; M94-Y202 HydrophobicContact SD-CE1 4.14Å; M94-Y202 HydrophobicContact SD-CG 4.09Å; L167-Y202 PolarHBondContact O-OH 2.62Å; T169-Y202 PolarHBondContact O-OH 3Å; I170-Y202 HydrophobicContact CB-CE2 4.45Å; I170-Y202 HydrophobicContact CG1-CE2 4.05Å; V199-Y202 PolarHBondContact O-N 3.32Å; G200-Y202 VanDerWaalsContact C-N 3.28Å; G200-Y202 PolarHBondContact O-N 2.88Å; Y202-G204 PolarHBondContact O-N 3.35Å; Y202-F205 HydrophobicContact CD1-CE2 4.48Å; Y202-F205 PolarHBondContact O-N 3.39Å
203	S	92.2	Very high	88.9	Confident	0 Å²	0	24.3 Å²	24.3	0%	0	12%	0.124	C	C	.	.	G	3₁₀ helix	trans	-62.4	-21.3	171.4	69.3	0	0	0	0	112.9	I107 E111 G200 F201 F205 L206	I107-S203 VanDerWaalsContact CD1-CB 3.49Å; E111-S203 WeakPolarHBondContact CB-OG 3.43Å; G200-S203 VanDerWaalsContact O-CB 3.26Å; G200-S203 WeakPolarHBondContact O-CB 3.35Å; G200-S203 PolarHBondContact O-N 2.92Å; G200-S203 VanDerWaalsContact O-N 3.09Å; G200-S203 PolarHBondContact O-OG 2.91Å; F201-S203 PolarHBondContact O-N 3.04Å; F201-S203 VanDerWaalsContact O-N 3.12Å; S203-F205 PolarHBondContact O-N 3.18Å; S203-L206 WeakPolarHBondContact O-CB 3.43Å; S203-L206 WeakPolarHBondContact O-CD1 3.22Å; S203-L206 VanDerWaalsContact O-CG 3.24Å; S203-L206 WeakPolarHBondContact O-CG 3.45Å; S203-L206 PolarHBondContact O-N 3.1Å
204	G	93.6	Very high	89.8	Confident	0 Å²	0	24.4 Å²	24.4	0%	0	13%	0.125	C	C	.	.	G	3₁₀ helix	trans	-56.3	-32.6	172.8	0	0	0	0	0	113.1	F201 Y202 L206 V207 A208	F201-G204 PolarHBondContact O-N 3.06Å; F201-G204 VanDerWaalsContact O-N 3.15Å; Y202-G204 PolarHBondContact O-N 3.35Å; G204-L206 PolarHBondContact O-N 3.33Å; G204-V207 WeakPolarHBondContact O-CG2 3.46Å; G204-V207 PolarHBondContact O-N 3.14Å; G204-V207 VanDerWaalsContact O-N 3.14Å; G204-A208 WeakPolarHBondContact O-CB 3.38Å; G204-A208 PolarHBondContact O-N 2.93Å
205	F	95	Very high	90.7	Very high	5 Å²	5	23.9 Å²	23.9	2%	0.022	12%	0.123	C	C	.	.	G	3₁₀ helix	trans	-72.4	-5.1	177.6	-68.6	-71.9	0	0	0	114	M94 I98 Y202 S203 V207 A208 I211 A229 K255	M94-F205 HydrophobicContact CE-CD2 4.36Å; M94-F205 HydrophobicContact CE-CE2 4.44Å; I98-F205 HydrophobicContact CD1-CB 3.58Å; I98-F205 HydrophobicContact CD1-CD2 4.46Å; I98-F205 HydrophobicContact CD1-CG 4.21Å; I98-F205 HydrophobicContact CG1-CB 3.93Å; I98-F205 HydrophobicContact CG2-CB 4.43Å; Y202-F205 HydrophobicContact CD1-CE2 4.48Å; Y202-F205 PolarHBondContact O-N 3.39Å; S203-F205 PolarHBondContact O-N 3.18Å; F205-V207 PolarHBondContact O-N 2.61Å; F205-A208 WeakPolarHBondContact CA-O 3.4Å; F205-I211 HydrophobicContact CD1-CD1 4.06Å; F205-I211 HydrophobicContact CD1-CG1 4.07Å; F205-I211 HydrophobicContact CD2-CD1 3.79Å; F205-I211 HydrophobicContact CE1-CB 4.31Å; F205-I211 HydrophobicContact CE1-CD1 4Å; F205-I211 HydrophobicContact CE1-CG1 3.73Å; F205-I211 HydrophobicContact CE2-CD1 3.72Å; F205-I211 HydrophobicContact CE2-CG1 4.27Å; F205-I211 HydrophobicContact CG-CD1 3.97Å; F205-I211 HydrophobicContact CG-CG1 4.49Å; F205-I211 HydrophobicContact CZ-CB 4.1Å; F205-I211 HydrophobicContact CZ-CD1 3.82Å; F205-I211 HydrophobicContact CZ-CG1 3.84Å; F205-A229 HydrophobicContact CD1-CB 3.77Å; F205-A229 HydrophobicContact CD2-CB 3.92Å; F205-A229 HydrophobicContact CE1-CB 3.82Å; F205-A229 HydrophobicContact CE2-CB 3.98Å; F205-A229 HydrophobicContact CG-CB 3.82Å; F205-A229 HydrophobicContact CZ-CB 3.93Å; F205-K255 PolarHBondContact O-NZ 3.49Å
206	L	93.6	Very high	91.6	Very high	13 Å²	13	24.5 Å²	24.5	7%	0.068	12%	0.123	C	C	.	.	G	3₁₀ helix	trans	-61.4	-36.7	166.6	-71.8	167.3	0	0	0	111.3	I98 Y102 K105 I107 S203 G204	I98-L206 HydrophobicContact CG2-CD2 4.33Å; I98-L206 WeakPolarHBondContact O-CD2 3.39Å; Y102-L206 HydrophobicContact CD2-CD1 3.91Å; Y102-L206 HydrophobicContact CG-CD1 4.19Å; K105-L206 HydrophobicContact CG-CB 4.42Å; I107-L206 HydrophobicContact CD1-CD1 3.86Å; I107-L206 HydrophobicContact CG1-CD1 4.08Å; S203-L206 WeakPolarHBondContact O-CB 3.43Å; S203-L206 WeakPolarHBondContact O-CD1 3.22Å; S203-L206 VanDerWaalsContact O-CG 3.24Å; S203-L206 WeakPolarHBondContact O-CG 3.45Å; S203-L206 PolarHBondContact O-N 3.1Å; G204-L206 PolarHBondContact O-N 3.33Å
207	V	95	Very high	92.3	Very high	0 Å²	0	19.9 Å²	19.9	0%	0	10%	0.101	C	C	.	.	T	Hydrogen-bonded Turn	trans	-119.9	-14.1	-170.9	-61.4	0	0	0	0	113.6	K105 F108 G204 F205 L252 M254 K255 S258 F261	K105-V207 HydrophobicContact CB-CG1 4.11Å; F108-V207 HydrophobicContact CB-CG2 4.2Å; F108-V207 HydrophobicContact CD1-CB 4.38Å; F108-V207 HydrophobicContact CD1-CG1 3.73Å; F108-V207 HydrophobicContact CD1-CG2 3.76Å; F108-V207 HydrophobicContact CD2-CG2 3.67Å; F108-V207 HydrophobicContact CE1-CG1 4.04Å; F108-V207 HydrophobicContact CE1-CG2 4.03Å; F108-V207 HydrophobicContact CE2-CG2 3.96Å; F108-V207 HydrophobicContact CG-CG1 4.28Å; F108-V207 HydrophobicContact CG-CG2 3.57Å; F108-V207 HydrophobicContact CZ-CG2 4.13Å; G204-V207 WeakPolarHBondContact O-CG2 3.46Å; G204-V207 PolarHBondContact O-N 3.14Å; G204-V207 VanDerWaalsContact O-N 3.14Å; F205-V207 PolarHBondContact O-N 2.61Å; V207-L252 HydrophobicContact CG2-CD1 4.45Å; V207-M254 HydrophobicContact CB-CE 3.89Å; V207-M254 HydrophobicContact CG2-CE 3.98Å; V207-M254 HydrophobicContact CG2-SD 4.43Å; V207-K255 WeakPolarHBondContact O-CB 3.48Å; V207-K255 WeakPolarHBondContact O-CG 3.45Å; V207-K255 PolarHBondContact O-N 2.98Å; V207-S258 WeakPolarHBondContact O-CB 3.43Å; V207-F261 HydrophobicContact CB-CD2 4.37Å; V207-F261 HydrophobicContact CG1-CD2 3.84Å; V207-F261 HydrophobicContact CG1-CE2 3.6Å
208	A	95.5	Very high	92.7	Very high	1 Å²	1	20.4 Å²	20.4	1%	0.008	11%	0.107	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117	142	180	0	0	0	0	0	112.1	G204 F205 I211 L252 H253 K255	G204-A208 WeakPolarHBondContact O-CB 3.38Å; G204-A208 PolarHBondContact O-N 2.93Å; F205-A208 WeakPolarHBondContact CA-O 3.4Å; A208-I211 HydrophobicContact CB-CG1 4.16Å; A208-L252 HydrophobicContact CB-CB 3.97Å; A208-L252 HydrophobicContact CB-CD2 4.08Å; A208-H253 CarbonylContact C-O 3.48Å; A208-H253 WeakPolarHBondContact CA-O 3.46Å; A208-H253 WeakPolarHBondContact CB-O 3.48Å; A208-K255 WeakPolarHBondContact O-CE 3.39Å
209	D	94	Very high	93	Very high	100 Å²	100	26.1 Å²	26.1	54%	0.535	13%	0.132	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-79.9	-29.9	170.3	-71.2	-48.8	0	0	0	111.5	H253 K255	D209-H253 PolarHBondContact N-O 3.06Å; D209-K255 VanDerWaalsContact OD1-CE 3.28Å; D209-K255 WeakPolarHBondContact OD1-CE 3.42Å; D209-K255 WeakPolarHBondContact OD1-CG 3.28Å; D209-K255 WeakPolarHBondContact OD2-CG 3.45Å
210	R	95.4	Very high	93.2	Very high	99 Å²	99	27.6 Å²	27.6	37%	0.374	14%	0.14	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-144.5	138.9	-175.9	-171.4	175.8	74.3	149.8	10.2	110.3	E226 S227 H253	R210-E226 VanDerWaalsContact CD-OE1 3.24Å; R210-E226 WeakPolarHBondContact CD-OE1 3.41Å; R210-E226 HydrophobicContact CG-CG 4.36Å; R210-E226 IonicContact CZ-OE1 3.1Å; R210-E226 IonicContact NE-OE1 3.41Å; R210-E226 PolarHBondContact NE-OE1 3.29Å; R210-E226 IonicContact NH1-OE1 2.61Å; R210-E226 PolarHBondContact NH1-OE1 3.46Å; R210-E226 IonicContact NH2-OE1 2.67Å; R210-S227 WeakPolarHBondContact CA-O 3.33Å; R210-S227 WeakPolarHBondContact CG-O 3.24Å; R210-H253 HydrophobicContact CB-CB 4.07Å; R210-H253 PolarHBondContact NH2-CE1 2.82Å; R210-H253 PolarHBondContact NH2-NE2 3.05Å; R210-H253 WeakPolarHBondContact O-CB 3.5Å; R210-H253 PolarHBondContact O-N 2.71Å
211	I	96.6	Very high	93.3	Very high	0 Å²	0	29.3 Å²	29.3	0%	0	15%	0.148	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.8	129.5	177.7	-56.4	-176.8	0	0	0	108.9	F201 F205 A208 V213 W225 E226 S227 V250 S251 L252	F201-I211 HydrophobicContact CE2-CG2 4.19Å; F201-I211 HydrophobicContact CZ-CG2 3.99Å; F205-I211 HydrophobicContact CD1-CD1 4.06Å; F205-I211 HydrophobicContact CD1-CG1 4.07Å; F205-I211 HydrophobicContact CD2-CD1 3.79Å; F205-I211 HydrophobicContact CE1-CB 4.31Å; F205-I211 HydrophobicContact CE1-CD1 4Å; F205-I211 HydrophobicContact CE1-CG1 3.73Å; F205-I211 HydrophobicContact CE2-CD1 3.72Å; F205-I211 HydrophobicContact CE2-CG1 4.27Å; F205-I211 HydrophobicContact CG-CD1 3.97Å; F205-I211 HydrophobicContact CG-CG1 4.49Å; F205-I211 HydrophobicContact CZ-CB 4.1Å; F205-I211 HydrophobicContact CZ-CD1 3.82Å; F205-I211 HydrophobicContact CZ-CG1 3.84Å; A208-I211 HydrophobicContact CB-CG1 4.16Å; I211-V213 HydrophobicContact CG2-CG2 4.01Å; I211-W225 HydrophobicContact CB-CZ3 4.47Å; I211-E226 WeakPolarHBondContact O-CA 2.93Å; I211-S227 PolarHBondContact N-O 3.15Å; I211-S227 PolarHBondContact O-N 3.34Å; I211-V250 HydrophobicContact CG2-CG1 3.88Å; I211-S251 WeakPolarHBondContact CA-O 3.23Å; I211-L252 HydrophobicContact CD1-CD2 3.76Å; I211-L252 HydrophobicContact CG1-CD2 3.74Å; I211-L252 HydrophobicContact CG2-CD2 4.19Å
212	V	96.6	Very high	93.2	Very high	19 Å²	19	28.4 Å²	28.4	12%	0.115	14%	0.144	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.4	121.7	174.3	-177	0	0	0	0	108.5	I224 W225 E226 S251	V212-I224 HydrophobicContact CG1-CG2 3.59Å; V212-W225 CarbonylContact C-O 3.59Å; V212-W225 WeakPolarHBondContact CA-O 3.36Å; V212-E226 HydrophobicContact CG2-CB 4.43Å; V212-E226 HydrophobicContact CG2-CG 4.04Å; V212-S251 PolarHBondContact N-O 2.93Å; V212-S251 PolarHBondContact O-N 3.45Å
213	V	96.6	Very high	93.3	Very high	1 Å²	1	28.4 Å²	28.4	1%	0.006	15%	0.145	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.3	112.1	179.4	-177.9	0	0	0	0	108.7	M158 L163 L167 F201 I211 I224 W225 T248 I249 V250	M158-V213 HydrophobicContact CE-CG1 4.22Å; L163-V213 HydrophobicContact CD2-CG1 4.28Å; L167-V213 HydrophobicContact CD1-CB 4.37Å; L167-V213 HydrophobicContact CD1-CG1 4.11Å; L167-V213 HydrophobicContact CD1-CG2 4.22Å; F201-V213 HydrophobicContact CE2-CG2 3.73Å; F201-V213 HydrophobicContact CZ-CG2 3.7Å; I211-V213 HydrophobicContact CG2-CG2 4.01Å; V213-I224 CarbonylContact O-C 3.56Å; V213-I224 WeakPolarHBondContact O-CA 3.48Å; V213-W225 HydrophobicContact CB-CB 4.24Å; V213-W225 HydrophobicContact CB-CE3 4.17Å; V213-W225 HydrophobicContact CG2-CE3 3.82Å; V213-W225 HydrophobicContact CG2-CZ3 4.24Å; V213-W225 PolarHBondContact N-O 2.87Å; V213-W225 PolarHBondContact O-N 2.82Å; V213-T248 HydrophobicContact CG1-CG2 3.37Å; V213-I249 CarbonylContact C-O 3.35Å; V213-I249 WeakPolarHBondContact CA-O 3.46Å; V213-V250 HydrophobicContact CG2-CG1 4.46Å; V213-V250 HydrophobicContact CG2-CG2 4.39Å
214	T	94.4	Very high	93.5	Very high	8 Å²	8	29.4 Å²	29.4	5%	0.049	15%	0.15	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.6	119.4	172.6	-51.5	0	0	0	0	108.1	Q222 H223 I224 D237 L244 T248 I249	T214-Q222 HydrophobicContact CG2-CG 3.88Å; T214-H223 WeakPolarHBondContact CA-O 3.41Å; T214-I224 HydrophobicContact CG2-CG1 4.18Å; T214-D237 WeakPolarHBondContact CG2-OD2 3.13Å; T214-L244 HydrophobicContact CG2-CD1 3.84Å; T214-L244 WeakPolarHBondContact O-CD1 3.37Å; T214-T248 CarbonylContact O-C 3.47Å; T214-T248 VanDerWaalsContact O-CA 3.3Å; T214-T248 WeakPolarHBondContact O-CA 3.2Å; T214-I249 PolarHBondContact N-O 2.87Å; T214-I249 PolarHBondContact O-N 3.13Å
215	S	94	Very high	93.6	Very high	0 Å²	0	29.6 Å²	29.6	0%	0	15%	0.151	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.1	143.6	-176	-160.7	0	0	0	0	112.4	G157 M158 Q222 H223 G247 T248	G157-S215 WeakPolarHBondContact CA-OG 3.35Å; M158-S215 PolarHBondContact N-OG 3.34Å; S215-Q222 WeakPolarHBondContact O-CA 3.49Å; S215-H223 PolarHBondContact N-O 2.94Å; S215-H223 PolarHBondContact O-N 2.92Å; S215-G247 WeakPolarHBondContact CA-O 3.3Å; S215-G247 PolarHBondContact OG-O 3.21Å; S215-T248 PolarHBondContact OG-OG1 3.18Å
216	K	91.2	Very high	93.7	Very high	20 Å²	20	32.3 Å²	32.3	9%	0.087	16%	0.164	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.7	108.7	176.3	177.5	64.3	177.8	73.8	0	109.3	D220 Q222 D241 L244 G245 R246 G247	K216-D220 WeakPolarHBondContact CD-O 3.36Å; K216-D220 WeakPolarHBondContact CE-O 3.4Å; K216-D220 PolarHBondContact NZ-O 2.93Å; K216-Q222 HydrophobicContact CB-CB 4.42Å; K216-Q222 HydrophobicContact CB-CG 4.35Å; K216-Q222 HydrophobicContact CD-CB 4.1Å; K216-D241 WeakPolarHBondContact CE-O 3.39Å; K216-L244 HydrophobicContact CB-CB 4.12Å; K216-L244 HydrophobicContact CB-CD1 4.38Å; K216-G245 WeakPolarHBondContact CG-O 3.4Å; K216-R246 WeakPolarHBondContact O-CA 3.26Å; K216-G247 PolarHBondContact N-O 2.77Å; K216-G247 PolarHBondContact O-N 2.68Å
217	H	91.1	Very high	93.8	Very high	18 Å²	18	32.2 Å²	32.2	8%	0.083	16%	0.164	C	C	.	.			trans	-90.1	150.7	168.5	-169.5	-89.7	0	0	0	110.1	I156 T159 D219 D220	I156-H217 WeakPolarHBondContact CG1-NE2 3.16Å; I156-H217 PolarHBondContact O-CD2 3.35Å; T159-H217 HydrophobicContact CG2-CB 3.91Å; H217-D219 IonicContact CE1-OD2 3.19Å; H217-D219 PolarHBondContact CE1-OD2 2.87Å; H217-D219 VanDerWaalsContact CE1-OD2 3.24Å; H217-D219 WeakPolarHBondContact ND1-CB 3.42Å; H217-D219 PolarHBondContact ND1-N 2.91Å; H217-D219 IonicContact ND1-OD2 3.64Å; H217-D219 PolarHBondContact O-N 3.03Å; H217-D220 PolarHBondContact O-N 3.28Å
218	N	87.4	Confident	93.7	Very high	68 Å²	68	36.9 Å²	36.9	36%	0.364	19%	0.189	S	C	.	.	T	Hydrogen-bonded Turn	trans	-58	-38.1	179.4	-73.5	-8.6	0	0	0	112.1	V133 D220 R246	V133-N218 PolarHBondContact O-ND2 3.37Å; N218-D220 PolarHBondContact O-N 2.85Å; N218-R246 WeakPolarHBondContact OD1-CG 3.1Å
219	D	89.2	Confident	93.4	Very high	141 Å²	141	37.8 Å²	37.8	75%	0.754	20%	0.197	S	C	*	.	T	Hydrogen-bonded Turn	trans	-85.5	7	-177.9	-55.2	-29.7	0	0	0	115.5	H217	H217-D219 IonicContact CE1-OD2 3.19Å; H217-D219 PolarHBondContact CE1-OD2 2.87Å; H217-D219 VanDerWaalsContact CE1-OD2 3.24Å; H217-D219 WeakPolarHBondContact ND1-CB 3.42Å; H217-D219 PolarHBondContact ND1-N 2.91Å; H217-D219 IonicContact ND1-OD2 3.64Å; H217-D219 PolarHBondContact O-N 3.03Å
220	D	90.9	Very high	93	Very high	45 Å²	45	35.6 Å²	35.6	24%	0.241	20%	0.198	C	C	.	.	S	Bend	trans	-146.3	165.2	-179.4	-156.6	-5.8	0	0	0	112	T159 K160 K216 H217 N218 H223	T159-D220 WeakPolarHBondContact CA-OD2 3.49Å; T159-D220 WeakPolarHBondContact CB-OD2 3.37Å; T159-D220 HydrophobicContact CG2-CB 3.86Å; K160-D220 PolarHBondContact N-OD2 3.15Å; K216-D220 WeakPolarHBondContact CD-O 3.36Å; K216-D220 WeakPolarHBondContact CE-O 3.4Å; K216-D220 PolarHBondContact NZ-O 2.93Å; H217-D220 PolarHBondContact O-N 3.28Å; N218-D220 PolarHBondContact O-N 2.85Å; D220-H223 IonicContact OD1-CE1 3.8Å; D220-H223 PolarHBondContact OD1-CE1 3.11Å; D220-H223 IonicContact OD2-CE1 3.69Å; D220-H223 IonicContact OD2-ND1 2.84Å
221	V	90.7	Very high	92.8	Very high	45 Å²	45	34.7 Å²	34.7	27%	0.273	21%	0.206	S	C	.	.			trans	-74.7	163.4	171.9	-61	0	0	0	0	110.9	H223 K236	V221-H223 WeakPolarHBondContact CG2-CE1 3.23Å; V221-H223 PolarHBondContact O-CE1 2.68Å; V221-H223 PolarHBondContact O-N 2.88Å; V221-H223 PolarHBondContact O-ND1 2.88Å; V221-K236 HydrophobicContact CG2-CD 4.21Å; V221-K236 HydrophobicContact CG2-CG 4.18Å
222	Q	92.2	Very high	92.7	Very high	1 Å²	1	38.6 Å²	38.6	1%	0.005	22%	0.224	C	C	.	.			trans	-66.9	131.5	176.3	-167.8	168.2	-60.1	0	0	111.3	T214 S215 K216 D237 L244	T214-Q222 HydrophobicContact CG2-CG 3.88Å; S215-Q222 WeakPolarHBondContact O-CA 3.49Å; K216-Q222 HydrophobicContact CB-CB 4.42Å; K216-Q222 HydrophobicContact CB-CG 4.35Å; K216-Q222 HydrophobicContact CD-CB 4.1Å; Q222-D237 HydrophobicContact CB-CB 4.08Å; Q222-D237 HydrophobicContact CG-CB 3.86Å; Q222-D237 PolarHBondContact NE2-OD2 2.86Å; Q222-D237 PolarHBondContact O-N 3.14Å; Q222-L244 HydrophobicContact CG-CD1 4.44Å; Q222-L244 VanDerWaalsContact OE1-N 3.16Å
223	H	94.9	Very high	92.7	Very high	12 Å²	12	40.3 Å²	40.3	6%	0.056	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.4	151.2	178.6	-70.3	90.5	0	0	0	111.3	L163 T214 S215 D220 V221 V234 V235	L163-H223 HydrophobicContact CD1-CB 3.61Å; T214-H223 WeakPolarHBondContact CA-O 3.41Å; S215-H223 PolarHBondContact N-O 2.94Å; S215-H223 PolarHBondContact O-N 2.92Å; D220-H223 IonicContact OD1-CE1 3.8Å; D220-H223 PolarHBondContact OD1-CE1 3.11Å; D220-H223 IonicContact OD2-CE1 3.69Å; D220-H223 IonicContact OD2-ND1 2.84Å; V221-H223 WeakPolarHBondContact CG2-CE1 3.23Å; V221-H223 PolarHBondContact O-CE1 2.68Å; V221-H223 PolarHBondContact O-N 2.88Å; V221-H223 PolarHBondContact O-ND1 2.88Å; H223-V234 HydrophobicContact CB-CG1 4.43Å; H223-V235 CarbonylContact C-O 3.51Å; H223-V235 WeakPolarHBondContact CA-O 3.26Å
224	I	94.9	Very high	92.6	Very high	22 Å²	22	41.9 Å²	41.9	11%	0.113	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112	123.7	172	-57.5	172.9	0	0	0	107.8	V212 V213 T214 V234 V235 D237	V212-I224 HydrophobicContact CG1-CG2 3.59Å; V213-I224 CarbonylContact O-C 3.56Å; V213-I224 WeakPolarHBondContact O-CA 3.48Å; T214-I224 HydrophobicContact CG2-CG1 4.18Å; I224-V234 WeakPolarHBondContact O-CA 3.35Å; I224-V235 HydrophobicContact CB-CG2 3.93Å; I224-V235 PolarHBondContact N-O 3.49Å; I224-V235 PolarHBondContact O-N 3.18Å; I224-D237 HydrophobicContact CD1-CB 4.1Å; I224-D237 HydrophobicContact CG1-CB 3.96Å
225	W	96.9	Very high	92.6	Very high	3 Å²	3	45.1 Å²	45.1	1%	0.011	27%	0.266	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.6	134.6	168.9	178	107.9	0	0	0	108.6	L163 L167 F201 I211 V212 V213 S227 F232 S233 V234	L163-W225 HydrophobicContact CD1-CB 4.38Å; L163-W225 HydrophobicContact CD2-CB 4.08Å; L167-W225 HydrophobicContact CB-CZ2 4.36Å; L167-W225 HydrophobicContact CD1-CD2 4.41Å; F201-W225 AromaticContact CE1-CH2 3.66Å; F201-W225 HydrophobicContact CE1-CH2 3.66Å; F201-W225 HydrophobicContact CE1-CZ2 4.36Å; F201-W225 AromaticContact CE1-CZ3 3.94Å; F201-W225 HydrophobicContact CE1-CZ3 3.94Å; F201-W225 HydrophobicContact CZ-CE3 4.37Å; F201-W225 AromaticContact CZ-CH2 3.92Å; F201-W225 HydrophobicContact CZ-CH2 3.92Å; F201-W225 AromaticContact CZ-CZ3 3.68Å; F201-W225 HydrophobicContact CZ-CZ3 3.68Å; I211-W225 HydrophobicContact CB-CZ3 4.47Å; V212-W225 CarbonylContact C-O 3.59Å; V212-W225 WeakPolarHBondContact CA-O 3.36Å; V213-W225 HydrophobicContact CB-CB 4.24Å; V213-W225 HydrophobicContact CB-CE3 4.17Å; V213-W225 HydrophobicContact CG2-CE3 3.82Å; V213-W225 HydrophobicContact CG2-CZ3 4.24Å; V213-W225 PolarHBondContact N-O 2.87Å; V213-W225 PolarHBondContact O-N 2.82Å; W225-S227 VanDerWaalsContact CZ3-CB 3.4Å; W225-F232 AromaticContact CD1-CD2 3.69Å; W225-F232 HydrophobicContact CD2-CB 4.36Å; W225-F232 VanDerWaalsContact CE2-CB 3.49Å; W225-F232 AromaticContact CE2-CD2 3.96Å; W225-F232 AromaticContact CE2-CG 3.77Å; W225-F232 HydrophobicContact CH2-CB 4.33Å; W225-F232 HydrophobicContact CZ2-CB 3.48Å; W225-F232 VanDerWaalsContact CZ2-CB 3.48Å; W225-F232 HydrophobicContact CZ2-CD1 4.34Å; W225-F232 AromaticContact CZ2-CG 3.9Å; W225-F232 HydrophobicContact CZ2-CG 3.9Å; W225-F232 AromaticContact NE1-CD2 3.09Å; W225-F232 AromaticContact NE1-CE2 3.77Å; W225-F232 AromaticContact NE1-CG 3.34Å; W225-F232 VanDerWaalsContact NE1-CG 3.34Å; W225-S233 CarbonylContact C-O 3.59Å; W225-S233 VanDerWaalsContact CA-O 3.28Å; W225-S233 WeakPolarHBondContact CA-O 3.31Å; W225-V234 HydrophobicContact CB-CG2 4.43Å; W225-V234 HydrophobicContact CG-CG2 4.3Å
226	E	96.6	Very high	92.6	Very high	63 Å²	63	50.3 Å²	50.3	29%	0.294	29%	0.288	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.3	135.4	-177.9	176.1	173	-165.1	0	0	110.9	R210 I211 V212 F232 S233	R210-E226 VanDerWaalsContact CD-OE1 3.24Å; R210-E226 WeakPolarHBondContact CD-OE1 3.41Å; R210-E226 HydrophobicContact CG-CG 4.36Å; R210-E226 IonicContact CZ-OE1 3.1Å; R210-E226 IonicContact NE-OE1 3.41Å; R210-E226 PolarHBondContact NE-OE1 3.29Å; R210-E226 IonicContact NH1-OE1 2.61Å; R210-E226 PolarHBondContact NH1-OE1 3.46Å; R210-E226 IonicContact NH2-OE1 2.67Å; I211-E226 WeakPolarHBondContact O-CA 2.93Å; V212-E226 HydrophobicContact CG2-CB 4.43Å; V212-E226 HydrophobicContact CG2-CG 4.04Å; E226-F232 CarbonylContact O-C 3.58Å; E226-F232 WeakPolarHBondContact O-CA 3.3Å; E226-S233 PolarHBondContact N-O 3.32Å; E226-S233 PolarHBondContact O-N 2.92Å
227	S	95.4	Very high	92.6	Very high	11 Å²	11	49.6 Å²	49.6	8%	0.077	29%	0.285	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-150.3	151.4	-179.2	-176	0	0	0	0	113.7	R210 I211 W225 A229 S231	R210-S227 WeakPolarHBondContact CA-O 3.33Å; R210-S227 WeakPolarHBondContact CG-O 3.24Å; I211-S227 PolarHBondContact N-O 3.15Å; I211-S227 PolarHBondContact O-N 3.34Å; W225-S227 VanDerWaalsContact CZ3-CB 3.4Å; S227-A229 PolarHBondContact OG-N 2.99Å; S227-A229 VanDerWaalsContact OG-N 3.13Å; S227-S231 WeakPolarHBondContact CA-O 3.36Å; S227-S231 VanDerWaalsContact CB-O 3.26Å; S227-S231 WeakPolarHBondContact CB-O 3.43Å; S227-S231 PolarHBondContact OG-O 3.25Å
228	D	92.7	Very high	92.4	Very high	97 Å²	97	54.1 Å²	54.1	52%	0.519	32%	0.316	S	S	.	.			trans	-110.4	18.2	173.6	64.2	-3.1	0	0	0	112.8	G230 S231	D228-G230 PolarHBondContact O-N 3.47Å; D228-G230 VanDerWaalsContact O-N 3.15Å; D228-G230 WeakPolarHBondContact OD1-CA 3.32Å; D228-G230 PolarHBondContact OD1-N 3.42Å; D228-S231 PolarHBondContact OD1-N 2.75Å
229	A	90.1	Very high	91.9	Very high	21 Å²	21	57.7 Å²	57.7	17%	0.174	33%	0.325	C	S	.	.	S	Bend	trans	66.3	-3.6	-170.7	0	0	0	0	0	116.4	M94 I98 F205 S227	M94-A229 HydrophobicContact CE-CB 3.89Å; I98-A229 HydrophobicContact CD1-CB 3.88Å; F205-A229 HydrophobicContact CD1-CB 3.77Å; F205-A229 HydrophobicContact CD2-CB 3.92Å; F205-A229 HydrophobicContact CE1-CB 3.82Å; F205-A229 HydrophobicContact CE2-CB 3.98Å; F205-A229 HydrophobicContact CG-CB 3.82Å; F205-A229 HydrophobicContact CZ-CB 3.93Å; S227-A229 PolarHBondContact OG-N 2.99Å; S227-A229 VanDerWaalsContact OG-N 3.13Å
230	G	85.2	Confident	90.9	Very high	54 Å²	54	54.6 Å²	54.6	56%	0.557	31%	0.314	S	S	*	.	S	Bend	trans	-93.3	-46.1	171.2	0	0	0	0	0	112.3	D228	D228-G230 PolarHBondContact O-N 3.47Å; D228-G230 VanDerWaalsContact O-N 3.15Å; D228-G230 WeakPolarHBondContact OD1-CA 3.32Å; D228-G230 PolarHBondContact OD1-N 3.42Å
231	S	90.7	Very high	89.6	Confident	80 Å²	80	56.1 Å²	56.1	56%	0.559	32%	0.322	S	S	*	.			trans	-146.7	173.8	176	66.8	0	0	0	0	110.8	S227 D228	S227-S231 WeakPolarHBondContact CA-O 3.36Å; S227-S231 VanDerWaalsContact CB-O 3.26Å; S227-S231 WeakPolarHBondContact CB-O 3.43Å; S227-S231 PolarHBondContact OG-O 3.25Å; D228-S231 PolarHBondContact OD1-N 2.75Å
232	F	94.9	Very high	88.5	Confident	82 Å²	82	58.5 Å²	58.5	36%	0.36	33%	0.333	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.7	154.6	174.5	67.4	-92.8	0	0	0	111.8	V164 G168 W225 E226 V234	V164-F232 HydrophobicContact CG1-CZ 4.4Å; V164-F232 HydrophobicContact CG2-CE2 4.39Å; G168-F232 VanDerWaalsContact CA-CE1 3.43Å; W225-F232 AromaticContact CD1-CD2 3.69Å; W225-F232 HydrophobicContact CD2-CB 4.36Å; W225-F232 VanDerWaalsContact CE2-CB 3.49Å; W225-F232 AromaticContact CE2-CD2 3.96Å; W225-F232 AromaticContact CE2-CG 3.77Å; W225-F232 HydrophobicContact CH2-CB 4.33Å; W225-F232 HydrophobicContact CZ2-CB 3.48Å; W225-F232 VanDerWaalsContact CZ2-CB 3.48Å; W225-F232 HydrophobicContact CZ2-CD1 4.34Å; W225-F232 AromaticContact CZ2-CG 3.9Å; W225-F232 HydrophobicContact CZ2-CG 3.9Å; W225-F232 AromaticContact NE1-CD2 3.09Å; W225-F232 AromaticContact NE1-CE2 3.77Å; W225-F232 AromaticContact NE1-CG 3.34Å; W225-F232 VanDerWaalsContact NE1-CG 3.34Å; E226-F232 CarbonylContact O-C 3.58Å; E226-F232 WeakPolarHBondContact O-CA 3.3Å; F232-V234 HydrophobicContact CD2-CG2 4.04Å; F232-V234 HydrophobicContact CE2-CG2 4.17Å
233	S	96	Very high	87.8	Confident	55 Å²	55	64.4 Å²	64.4	39%	0.385	36%	0.361	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.1	151.8	174.5	69.6	0	0	0	0	110.4	W225 E226	W225-S233 CarbonylContact C-O 3.59Å; W225-S233 VanDerWaalsContact CA-O 3.28Å; W225-S233 WeakPolarHBondContact CA-O 3.31Å; E226-S233 PolarHBondContact N-O 3.32Å; E226-S233 PolarHBondContact O-N 2.92Å
234	V	95.7	Very high	87.1	Confident	33 Å²	33	65.7 Å²	65.7	20%	0.2	37%	0.368	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.9	120.6	177	-172.6	0	0	0	0	109.1	K160 L163 V164 H223 I224 W225 F232	K160-V234 HydrophobicContact CG-CG1 4.11Å; L163-V234 HydrophobicContact CD1-CG1 4.28Å; V164-V234 HydrophobicContact CG2-CG2 4Å; H223-V234 HydrophobicContact CB-CG1 4.43Å; I224-V234 WeakPolarHBondContact O-CA 3.35Å; W225-V234 HydrophobicContact CB-CG2 4.43Å; W225-V234 HydrophobicContact CG-CG2 4.3Å; F232-V234 HydrophobicContact CD2-CG2 4.04Å; F232-V234 HydrophobicContact CE2-CG2 4.17Å
235	V	94.3	Very high	86.5	Confident	77 Å²	77	65.6 Å²	65.6	47%	0.467	37%	0.372	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.8	154.6	-179.3	-61.3	0	0	0	0	110.6	H223 I224	H223-V235 CarbonylContact C-O 3.51Å; H223-V235 WeakPolarHBondContact CA-O 3.26Å; I224-V235 HydrophobicContact CB-CG2 3.93Å; I224-V235 PolarHBondContact N-O 3.49Å; I224-V235 PolarHBondContact O-N 3.18Å
236	K	93.6	Very high	86.1	Confident	109 Å²	109	65.9 Å²	65.9	47%	0.474	37%	0.373	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-69.7	136.6	169.4	-175.2	179.5	177.6	-175	0	108.6	V221 P238 D241	V221-K236 HydrophobicContact CG2-CD 4.21Å; V221-K236 HydrophobicContact CG2-CG 4.18Å; K236-P238 WeakPolarHBondContact O-CD 3.37Å; K236-D241 WeakPolarHBondContact CE-OD1 3.35Å; K236-D241 IonicContact NZ-OD1 3.93Å; K236-D241 PolarHBondContact NZ-OD1 3.49Å; K236-D241 IonicContact NZ-OD2 3.76Å; K236-D241 PolarHBondContact NZ-OD2 3.03Å
237	D	90.2	Very high	85.8	Confident	4 Å²	4	63 Å²	63	2%	0.021	36%	0.36	C	S	.	.			trans	-68	124.9	178.4	-163.9	-38.3	0	0	0	110.6	T214 Q222 I224 R239	T214-D237 WeakPolarHBondContact CG2-OD2 3.13Å; Q222-D237 HydrophobicContact CB-CB 4.08Å; Q222-D237 HydrophobicContact CG-CB 3.86Å; Q222-D237 PolarHBondContact NE2-OD2 2.86Å; Q222-D237 PolarHBondContact O-N 3.14Å; I224-D237 HydrophobicContact CD1-CB 4.1Å; I224-D237 HydrophobicContact CG1-CB 3.96Å; D237-R239 VanDerWaalsContact C-N 3.29Å; D237-R239 PolarHBondContact O-N 3.33Å; D237-R239 VanDerWaalsContact OD1-CB 3.31Å; D237-R239 WeakPolarHBondContact OD1-CB 3.11Å; D237-R239 IonicContact OD1-CZ 3.89Å; D237-R239 PolarHBondContact OD1-N 3.48Å; D237-R239 IonicContact OD1-NE 2.85Å; D237-R239 PolarHBondContact OD1-NE 3.32Å; D237-R239 IonicContact OD1-NH2 2.85Å; D237-R239 IonicContact OD2-CZ 2.64Å; D237-R239 IonicContact OD2-NE 2.77Å; D237-R239 PolarHBondContact OD2-NE 3.31Å; D237-R239 IonicContact OD2-NH2 3.67Å; D237-R239 PolarHBondContact OD2-NH2 3.44Å
238	P	88	Confident	85.7	Confident	114 Å²	114	62.8 Å²	62.8	74%	0.74	36%	0.358	S	S	*	.	T	Hydrogen-bonded Turn	trans	-74.9	-11.5	179.9	29.2	-34.7	0	0	0	114.4	K236 S240	K236-P238 WeakPolarHBondContact O-CD 3.37Å; P238-S240 PolarHBondContact O-N 3.44Å
239	R	77.5	Confident	85.8	Confident	143 Å²	143	59.8 Å²	59.8	54%	0.54	34%	0.342	S	S	.	.	T	Hydrogen-bonded Turn	trans	-88.6	15.7	-165.9	-64.1	169.4	-69.2	-176.6	3.8	116.1	D237	D237-R239 VanDerWaalsContact C-N 3.29Å; D237-R239 PolarHBondContact O-N 3.33Å; D237-R239 VanDerWaalsContact OD1-CB 3.31Å; D237-R239 WeakPolarHBondContact OD1-CB 3.11Å; D237-R239 IonicContact OD1-CZ 3.89Å; D237-R239 PolarHBondContact OD1-N 3.48Å; D237-R239 IonicContact OD1-NE 2.85Å; D237-R239 PolarHBondContact OD1-NE 3.32Å; D237-R239 IonicContact OD1-NH2 2.85Å; D237-R239 IonicContact OD2-CZ 2.64Å; D237-R239 IonicContact OD2-NE 2.77Å; D237-R239 PolarHBondContact OD2-NE 3.31Å; D237-R239 IonicContact OD2-NH2 3.67Å; D237-R239 PolarHBondContact OD2-NH2 3.44Å
240	S	67.5	Low	86	Confident	75 Å²	75	59.3 Å²	59.3	52%	0.524	34%	0.337	S	S	.	.			trans	108.8	142.4	-173.2	-175.9	0	0	0	0	111.9	P238 N242	P238-S240 PolarHBondContact O-N 3.44Å; S240-N242 PolarHBondContact O-N 3.27Å
241	D	63.5	Low	86.5	Confident	78 Å²	78	57.3 Å²	57.3	42%	0.417	31%	0.314	S	S	.	.	T	Hydrogen-bonded Turn	trans	-66.4	-10.1	-173.2	-72.5	-13.9	0	0	0	113.8	K216 K236	K216-D241 WeakPolarHBondContact CE-O 3.39Å; K236-D241 WeakPolarHBondContact CE-OD1 3.35Å; K236-D241 IonicContact NZ-OD1 3.93Å; K236-D241 PolarHBondContact NZ-OD1 3.49Å; K236-D241 IonicContact NZ-OD2 3.76Å; K236-D241 PolarHBondContact NZ-OD2 3.03Å
242	N	68.1	Low	86.8	Confident	94 Å²	94	53.5 Å²	53.5	50%	0.503	29%	0.288	S	S	.	.	T	Hydrogen-bonded Turn	trans	-147.7	38.9	-172	-157.2	30.8	0	0	0	115.5	S240 G245	S240-N242 PolarHBondContact O-N 3.27Å; N242-G245 PolarHBondContact O-N 3.12Å; N242-G245 VanDerWaalsContact OD1-CA 3.29Å; N242-G245 WeakPolarHBondContact OD1-CA 3.44Å; N242-G245 PolarHBondContact OD1-O 3.06Å
243	Q	76.4	Confident	86.8	Confident	126 Å²	126	51.7 Å²	51.7	59%	0.589	28%	0.28	S	S	*	.	S	Bend	trans	-64.8	-39.4	178.6	-171.8	178.7	12.1	0	0	112.4
244	L	80.7	Confident	86.7	Confident	39 Å²	39	49.6 Å²	49.6	20%	0.204	27%	0.265	C	S	.	.	S	Bend	trans	-78.2	-20.6	-179.4	-63.8	-179.7	0	0	0	113.9	T214 K216 Q222 R246 I249	T214-L244 HydrophobicContact CG2-CD1 3.84Å; T214-L244 WeakPolarHBondContact O-CD1 3.37Å; K216-L244 HydrophobicContact CB-CB 4.12Å; K216-L244 HydrophobicContact CB-CD1 4.38Å; Q222-L244 HydrophobicContact CG-CD1 4.44Å; Q222-L244 VanDerWaalsContact OE1-N 3.16Å; L244-R246 PolarHBondContact O-N 3.05Å; L244-I249 HydrophobicContact CD1-CG1 4.36Å; L244-I249 HydrophobicContact CD2-CD1 3.34Å; L244-I249 HydrophobicContact CD2-CG1 3.6Å
245	G	83	Confident	86.7	Confident	19 Å²	19	49.9 Å²	49.9	20%	0.196	26%	0.263	C	S	.	.	S	Bend	trans	70.7	-66.6	-164.9	0	0	0	0	0	112	K216 N242	K216-G245 WeakPolarHBondContact CG-O 3.4Å; N242-G245 PolarHBondContact O-N 3.12Å; N242-G245 VanDerWaalsContact OD1-CA 3.29Å; N242-G245 WeakPolarHBondContact OD1-CA 3.44Å; N242-G245 PolarHBondContact OD1-O 3.06Å
246	R	88	Confident	86.5	Confident	10 Å²	10	53.3 Å²	53.3	4%	0.038	27%	0.274	C	S	.	.	S	Bend	trans	-160.1	144.2	177.8	-169.9	-168	64.1	-118.3	-7	110.6	V133 L134 S136 T154 G155 K216 N218 L244	V133-R246 PolarHBondContact O-NH1 2.68Å; L134-R246 VanDerWaalsContact CA-NH1 3.34Å; L134-R246 PolarHBondContact O-NH1 2.94Å; S136-R246 VanDerWaalsContact OG-CZ 3.25Å; S136-R246 PolarHBondContact OG-NH2 2.88Å; S136-R246 VanDerWaalsContact OG-NH2 3.1Å; T154-R246 PolarHBondContact O-NE 3.15Å; T154-R246 PolarHBondContact O-NH2 2.76Å; G155-R246 WeakPolarHBondContact O-CD 3.42Å; G155-R246 VanDerWaalsContact O-CG 3.28Å; G155-R246 WeakPolarHBondContact O-CG 3.46Å; G155-R246 PolarHBondContact O-NE 2.99Å; K216-R246 WeakPolarHBondContact O-CA 3.26Å; N218-R246 WeakPolarHBondContact OD1-CG 3.1Å; L244-R246 PolarHBondContact O-N 3.05Å
247	G	91.2	Very high	86.5	Confident	1 Å²	1	53.7 Å²	53.7	1%	0.01	28%	0.278	C	S	.	.	E	Extended strand (participates in β ladder)	trans	116	-151.7	172.4	0	0	0	0	0	112.4	D153 S215 K216	D153-G247 WeakPolarHBondContact O-CA 3.23Å; S215-G247 WeakPolarHBondContact CA-O 3.3Å; S215-G247 PolarHBondContact OG-O 3.21Å; K216-G247 PolarHBondContact N-O 2.77Å; K216-G247 PolarHBondContact O-N 2.68Å
248	T	93.3	Very high	86.7	Confident	8 Å²	8	53.6 Å²	53.6	5%	0.049	28%	0.277	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-144.3	142.1	-172.2	-50.7	0	0	0	0	112.2	I152 D153 M158 V213 T214 S215 V250	I152-T248 WeakPolarHBondContact CA-O 3.41Å; D153-T248 PolarHBondContact N-O 3.23Å; D153-T248 PolarHBondContact O-N 3.19Å; D153-T248 WeakPolarHBondContact OD2-CB 3.32Å; M158-T248 HydrophobicContact CE-CG2 4.22Å; V213-T248 HydrophobicContact CG1-CG2 3.37Å; T214-T248 CarbonylContact O-C 3.47Å; T214-T248 VanDerWaalsContact O-CA 3.3Å; T214-T248 WeakPolarHBondContact O-CA 3.2Å; S215-T248 PolarHBondContact OG-OG1 3.18Å; T248-V250 HydrophobicContact CG2-CG2 4.22Å
249	I	93.3	Very high	86.8	Confident	34 Å²	34	52.9 Å²	52.9	17%	0.174	26%	0.26	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111	121.1	164.8	-57.8	-169.8	0	0	0	108.2	H150 I152 V213 T214 L244	H150-I249 HydrophobicContact CB-CG2 4.27Å; I152-I249 HydrophobicContact CB-CG1 4.36Å; I152-I249 HydrophobicContact CD1-CD1 4.25Å; I152-I249 HydrophobicContact CG1-CB 4.36Å; I152-I249 HydrophobicContact CG1-CD1 4.18Å; I152-I249 HydrophobicContact CG1-CG1 3.91Å; I152-I249 HydrophobicContact CG1-CG2 4.02Å; I152-I249 HydrophobicContact CG2-CG1 4.04Å; V213-I249 CarbonylContact C-O 3.35Å; V213-I249 WeakPolarHBondContact CA-O 3.46Å; T214-I249 PolarHBondContact N-O 2.87Å; T214-I249 PolarHBondContact O-N 3.13Å; L244-I249 HydrophobicContact CD1-CG1 4.36Å; L244-I249 HydrophobicContact CD2-CD1 3.34Å; L244-I249 HydrophobicContact CD2-CG1 3.6Å
250	V	95.4	Very high	87.5	Confident	11 Å²	11	49.9 Å²	49.9	7%	0.067	25%	0.254	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.1	111.2	169.7	-176.4	0	0	0	0	108.6	L112 H150 V151 F201 I211 V213 T248 L252	L112-V250 HydrophobicContact CD1-CG1 4.41Å; L112-V250 HydrophobicContact CD2-CG1 4.09Å; H150-V250 CarbonylContact C-O 3.58Å; H150-V250 WeakPolarHBondContact CA-O 3.29Å; V151-V250 HydrophobicContact CB-CB 4.49Å; V151-V250 PolarHBondContact N-O 2.77Å; V151-V250 PolarHBondContact O-N 3.16Å; F201-V250 HydrophobicContact CE2-CG1 4.44Å; I211-V250 HydrophobicContact CG2-CG1 3.88Å; V213-V250 HydrophobicContact CG2-CG1 4.46Å; V213-V250 HydrophobicContact CG2-CG2 4.39Å; T248-V250 HydrophobicContact CG2-CG2 4.22Å; V250-L252 HydrophobicContact CG1-CD2 4.2Å
251	S	95	Very high	88.7	Confident	12 Å²	12	47.2 Å²	47.2	8%	0.084	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.6	117.5	178.8	-53.4	0	0	0	0	109.8	H150 I211 V212	H150-S251 PolarHBondContact CE1-OG 2.85Å; H150-S251 WeakPolarHBondContact ND1-CB 3.42Å; H150-S251 PolarHBondContact ND1-OG 3.46Å; I211-S251 WeakPolarHBondContact CA-O 3.23Å; V212-S251 PolarHBondContact N-O 2.93Å; V212-S251 PolarHBondContact O-N 3.45Å
252	L	96.3	Very high	90.1	Very high	0 Å²	0	43.8 Å²	43.8	0%	0	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.4	111.7	179.5	-60.9	176.2	0	0	0	109.6	F108 L112 I148 L149 V207 A208 I211 V250 M254	F108-L252 HydrophobicContact CD2-CD1 3.68Å; F108-L252 HydrophobicContact CE2-CD1 3.55Å; L112-L252 HydrophobicContact CD1-CD1 3.74Å; L112-L252 HydrophobicContact CD1-CD2 4.29Å; L112-L252 HydrophobicContact CD1-CG 4.33Å; I148-L252 WeakPolarHBondContact CA-O 3.44Å; L149-L252 HydrophobicContact CB-CB 4.34Å; L149-L252 HydrophobicContact CD2-CD1 4.25Å; L149-L252 PolarHBondContact N-O 3.49Å; L149-L252 VanDerWaalsContact N-O 3.13Å; L149-L252 PolarHBondContact O-N 3.28Å; V207-L252 HydrophobicContact CG2-CD1 4.45Å; A208-L252 HydrophobicContact CB-CB 3.97Å; A208-L252 HydrophobicContact CB-CD2 4.08Å; I211-L252 HydrophobicContact CD1-CD2 3.76Å; I211-L252 HydrophobicContact CG1-CD2 3.74Å; I211-L252 HydrophobicContact CG2-CD2 4.19Å; V250-L252 HydrophobicContact CG1-CD2 4.2Å; L252-M254 HydrophobicContact CB-SD 3.79Å; L252-M254 HydrophobicContact CD1-SD 4.49Å; L252-M254 PolarHBondContact O-N 2.99Å
253	H	95	Very high	91.2	Very high	43 Å²	43	43.8 Å²	43.8	20%	0.199	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-77.9	103	170	-70.4	-89.5	0	0	0	108.9	I148 A208 D209 R210	I148-H253 VanDerWaalsContact CD1-CE1 3.4Å; I148-H253 WeakPolarHBondContact CD1-CE1 3.23Å; A208-H253 CarbonylContact C-O 3.48Å; A208-H253 WeakPolarHBondContact CA-O 3.46Å; A208-H253 WeakPolarHBondContact CB-O 3.48Å; D209-H253 PolarHBondContact N-O 3.06Å; R210-H253 HydrophobicContact CB-CB 4.07Å; R210-H253 PolarHBondContact NH2-CE1 2.82Å; R210-H253 PolarHBondContact NH2-NE2 3.05Å; R210-H253 WeakPolarHBondContact O-CB 3.5Å; R210-H253 PolarHBondContact O-N 2.71Å
254	M	94.7	Very high	91.8	Very high	12 Å²	12	38.7 Å²	38.7	6%	0.059	19%	0.188	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-70.6	137.3	-166.6	-58.2	-58.6	-68.4	0	0	111.9	H147 L149 V207 L252 S258 F261 L262	H147-M254 WeakPolarHBondContact O-CB 3.44Å; H147-M254 WeakPolarHBondContact O-CG 3.19Å; H147-M254 PolarHBondContact O-N 2.82Å; H147-M254 VanDerWaalsContact O-N 3.09Å; L149-M254 HydrophobicContact CB-SD 4Å; V207-M254 HydrophobicContact CB-CE 3.89Å; V207-M254 HydrophobicContact CG2-CE 3.98Å; V207-M254 HydrophobicContact CG2-SD 4.43Å; L252-M254 HydrophobicContact CB-SD 3.79Å; L252-M254 HydrophobicContact CD1-SD 4.49Å; L252-M254 PolarHBondContact O-N 2.99Å; M254-S258 VanDerWaalsContact CE-O 3.32Å; M254-S258 WeakPolarHBondContact CE-O 3.27Å; M254-F261 HydrophobicContact CE-CB 3.87Å; M254-F261 HydrophobicContact CE-CD2 4.27Å; M254-L262 HydrophobicContact CG-CD1 4.33Å; M254-L262 HydrophobicContact CG-CD2 3.82Å; M254-L262 HydrophobicContact CG-CG 4.12Å
255	K	94.9	Very high	92.3	Very high	38 Å²	38	41.7 Å²	41.7	17%	0.165	21%	0.205	C	C	.	.			trans	-61.3	150.2	167.1	-68.2	178	178.5	172.2	0	110.3	F205 V207 A208 D209 E257 S258 R259	F205-K255 PolarHBondContact O-NZ 3.49Å; V207-K255 WeakPolarHBondContact O-CB 3.48Å; V207-K255 WeakPolarHBondContact O-CG 3.45Å; V207-K255 PolarHBondContact O-N 2.98Å; A208-K255 WeakPolarHBondContact O-CE 3.39Å; D209-K255 VanDerWaalsContact OD1-CE 3.28Å; D209-K255 WeakPolarHBondContact OD1-CE 3.42Å; D209-K255 WeakPolarHBondContact OD1-CG 3.28Å; D209-K255 WeakPolarHBondContact OD2-CG 3.45Å; K255-E257 VanDerWaalsContact C-N 3.29Å; K255-E257 WeakPolarHBondContact CB-OE2 3.39Å; K255-E257 VanDerWaalsContact CD-OE1 3.27Å; K255-E257 WeakPolarHBondContact CD-OE1 3.49Å; K255-E257 PolarHBondContact O-N 3.41Å; K255-S258 PolarHBondContact O-N 3.1Å; K255-R259 PolarHBondContact O-N 2.94Å
256	E	92.1	Very high	92.7	Very high	149 Å²	149	42.7 Å²	42.7	70%	0.696	21%	0.207	S	C	*	.	G	3₁₀ helix	trans	-56.5	-43.2	-180	-169.4	172.5	-172	0	0	112.1	S258 R259	E256-S258 PolarHBondContact O-N 3.05Å; E256-R259 WeakPolarHBondContact O-CG 3.45Å; E256-R259 PolarHBondContact O-N 3.42Å
257	E	93.5	Very high	92.9	Very high	118 Å²	118	42.4 Å²	42.4	55%	0.551	21%	0.206	S	C	*	.	G	3₁₀ helix	trans	-74.5	-7.6	178.7	78.7	-78.1	-178.9	0	0	114.5	K105 K255	K105-E257 IonicContact NZ-OE1 3.52Å; K255-E257 VanDerWaalsContact C-N 3.29Å; K255-E257 WeakPolarHBondContact CB-OE2 3.39Å; K255-E257 VanDerWaalsContact CD-OE1 3.27Å; K255-E257 WeakPolarHBondContact CD-OE1 3.49Å; K255-E257 PolarHBondContact O-N 3.41Å
258	S	93.4	Very high	92.9	Very high	2 Å²	2	44 Å²	44	1%	0.014	21%	0.214	C	C	.	.	G	3₁₀ helix	trans	-110.2	8.3	-177.6	-58.6	0	0	0	0	112.9	V207 M254 K255 E256 N260 F261	V207-S258 WeakPolarHBondContact O-CB 3.43Å; M254-S258 VanDerWaalsContact CE-O 3.32Å; M254-S258 WeakPolarHBondContact CE-O 3.27Å; K255-S258 PolarHBondContact O-N 3.1Å; E256-S258 PolarHBondContact O-N 3.05Å; S258-N260 VanDerWaalsContact C-OD1 3.28Å; S258-N260 WeakPolarHBondContact CA-OD1 3.04Å; S258-N260 PolarHBondContact O-N 3.09Å; S258-N260 PolarHBondContact O-OD1 2.95Å; S258-F261 WeakPolarHBondContact O-CD2 3.35Å; S258-F261 PolarHBondContact O-N 3.32Å; S258-F261 VanDerWaalsContact O-N 3.13Å
259	R	91	Very high	92.8	Very high	99 Å²	99	49.2 Å²	49.2	37%	0.374	24%	0.237	S	C	.	.	G	3₁₀ helix	trans	-64.5	-18.3	178.4	-69.7	179.8	-178.7	-176.7	2.9	113.5	H147 K255 E256 F261 L262	H147-R259 PolarHBondContact CD2-NH2 2.91Å; K255-R259 PolarHBondContact O-N 2.94Å; E256-R259 WeakPolarHBondContact O-CG 3.45Å; E256-R259 PolarHBondContact O-N 3.42Å; R259-F261 PolarHBondContact O-N 3.11Å; R259-L262 HydrophobicContact CB-CD1 4.33Å; R259-L262 HydrophobicContact CG-CD1 4.33Å; R259-L262 VanDerWaalsContact O-CB 3.26Å; R259-L262 WeakPolarHBondContact O-CB 3.09Å; R259-L262 PolarHBondContact O-N 3.39Å
260	N	92.3	Very high	92.8	Very high	80 Å²	80	48.1 Å²	48.1	43%	0.428	23%	0.232	S	C	.	.	G	3₁₀ helix	trans	-58.7	-24.7	171.7	67.6	-56.3	0	0	0	113	S258 L262 E263 T266	S258-N260 VanDerWaalsContact C-OD1 3.28Å; S258-N260 WeakPolarHBondContact CA-OD1 3.04Å; S258-N260 PolarHBondContact O-N 3.09Å; S258-N260 PolarHBondContact O-OD1 2.95Å; N260-L262 PolarHBondContact O-N 3.39Å; N260-E263 WeakPolarHBondContact O-CB 3.25Å; N260-E263 PolarHBondContact O-N 3.05Å; N260-T266 PolarHBondContact O-OG1 2.87Å
261	F	92.4	Very high	92.5	Very high	19 Å²	19	48 Å²	48	8%	0.083	23%	0.231	C	C	.	.	G	3₁₀ helix	trans	-77.7	-3.5	173.7	-62.1	-64.4	0	0	0	113.7	K105 E106 F108 V207 M254 S258 R259 E263 T266 L267 L270	K105-F261 HydrophobicContact CB-CZ 4.49Å; E106-F261 HydrophobicContact CB-CE1 4.28Å; F108-F261 HydrophobicContact CE1-CB 4.33Å; F108-F261 AromaticContact CE1-CD1 3.92Å; F108-F261 HydrophobicContact CE1-CD1 3.92Å; F108-F261 HydrophobicContact CE1-CD2 4.07Å; F108-F261 HydrophobicContact CE1-CE1 4.2Å; F108-F261 HydrophobicContact CE1-CE2 4.34Å; F108-F261 AromaticContact CE1-CG 3.85Å; F108-F261 HydrophobicContact CE1-CG 3.85Å; F108-F261 HydrophobicContact CE1-CZ 4.4Å; F108-F261 HydrophobicContact CZ-CB 4.19Å; F108-F261 HydrophobicContact CZ-CD1 4.47Å; F108-F261 HydrophobicContact CZ-CG 4.21Å; V207-F261 HydrophobicContact CB-CD2 4.37Å; V207-F261 HydrophobicContact CG1-CD2 3.84Å; V207-F261 HydrophobicContact CG1-CE2 3.6Å; M254-F261 HydrophobicContact CE-CB 3.87Å; M254-F261 HydrophobicContact CE-CD2 4.27Å; S258-F261 WeakPolarHBondContact O-CD2 3.35Å; S258-F261 PolarHBondContact O-N 3.32Å; S258-F261 VanDerWaalsContact O-N 3.13Å; R259-F261 PolarHBondContact O-N 3.11Å; F261-E263 VanDerWaalsContact C-N 3.31Å; F261-T266 HydrophobicContact CD1-CG2 3.94Å; F261-T266 HydrophobicContact CE1-CG2 4.46Å; F261-L267 VanDerWaalsContact O-CD2 3.24Å; F261-L267 WeakPolarHBondContact O-CD2 3.43Å; F261-L267 VanDerWaalsContact O-CG 3.26Å; F261-L267 WeakPolarHBondContact O-CG 3.47Å; F261-L270 HydrophobicContact CD1-CD1 3.63Å; F261-L270 HydrophobicContact CE1-CD1 3.76Å
262	L	91.3	Very high	92.2	Very high	6 Å²	6	51.1 Å²	51.1	3%	0.031	24%	0.243	C	C	.	.	G	3₁₀ helix	trans	-83.6	-12.3	168.5	-61.5	171.3	0	0	0	111.7	K144 H147 L149 M254 R259 N260	K144-L262 WeakPolarHBondContact CE-O 3.17Å; K144-L262 HydrophobicContact CG-CB 4.41Å; H147-L262 HydrophobicContact CB-CD1 4.16Å; L149-L262 HydrophobicContact CB-CD2 4.11Å; M254-L262 HydrophobicContact CG-CD1 4.33Å; M254-L262 HydrophobicContact CG-CD2 3.82Å; M254-L262 HydrophobicContact CG-CG 4.12Å; R259-L262 HydrophobicContact CB-CD1 4.33Å; R259-L262 HydrophobicContact CG-CD1 4.33Å; R259-L262 VanDerWaalsContact O-CB 3.26Å; R259-L262 WeakPolarHBondContact O-CB 3.09Å; R259-L262 PolarHBondContact O-N 3.39Å; N260-L262 PolarHBondContact O-N 3.39Å
263	E	91.3	Very high	91.8	Very high	93 Å²	93	54.6 Å²	54.6	44%	0.435	26%	0.258	S	S	.	.	S	Bend	trans	-72	130.6	176.5	-65.9	-52.6	131.5	0	0	111.7	K144 N260 F261 D265 T266 L267	K144-E263 IonicContact NZ-OE1 3.38Å; K144-E263 PolarHBondContact NZ-OE1 2.9Å; K144-E263 IonicContact NZ-OE2 3.18Å; K144-E263 PolarHBondContact NZ-OE2 2.87Å; N260-E263 WeakPolarHBondContact O-CB 3.25Å; N260-E263 PolarHBondContact O-N 3.05Å; F261-E263 VanDerWaalsContact C-N 3.31Å; E263-D265 VanDerWaalsContact C-N 3.34Å; E263-D265 PolarHBondContact O-N 3.14Å; E263-T266 WeakPolarHBondContact O-CB 3.46Å; E263-T266 PolarHBondContact O-N 3.48Å; E263-L267 PolarHBondContact O-N 2.76Å
264	L	89.2	Confident	91.4	Very high	19 Å²	19	53 Å²	53	10%	0.099	25%	0.251	C	S	.	.	H	α-helix	trans	-64	-40.2	-171.3	-63.3	173.7	0	0	0	111.9	T266 L267 E268 W285 K286 W330	L264-T266 VanDerWaalsContact C-N 3.35Å; L264-L267 PolarHBondContact O-N 3.29Å; L264-E268 WeakPolarHBondContact O-CB 3.31Å; L264-E268 PolarHBondContact O-N 2.89Å; L264-W285 WeakPolarHBondContact CD2-O 3.04Å; L264-K286 HydrophobicContact CD1-CG 4.05Å; L264-W330 HydrophobicContact CD1-CH2 4.14Å; L264-W330 HydrophobicContact CD1-CZ3 3.98Å
265	D	91.1	Very high	91.1	Very high	103 Å²	103	52.5 Å²	52.5	55%	0.551	25%	0.248	S	C	*	.	H	α-helix	trans	-67.9	-36.8	178.2	-64.6	-23.6	0	0	0	111.3	E263 E268 E269 K286	E263-D265 VanDerWaalsContact C-N 3.34Å; E263-D265 PolarHBondContact O-N 3.14Å; D265-E268 PolarHBondContact O-N 3.31Å; D265-E269 WeakPolarHBondContact O-CB 3.47Å; D265-E269 WeakPolarHBondContact O-CG 3.4Å; D265-E269 PolarHBondContact O-N 2.87Å; D265-K286 IonicContact OD1-NZ 3.46Å; D265-K286 PolarHBondContact OD1-NZ 2.92Å
266	T	92.6	Very high	90.7	Very high	39 Å²	39	51.4 Å²	51.4	24%	0.239	24%	0.244	C	C	.	.	H	α-helix	trans	-61.2	-48.4	173.1	-53.7	0	0	0	0	110.7	N260 F261 E263 L264 E268 E269 L270	N260-T266 PolarHBondContact O-OG1 2.87Å; F261-T266 HydrophobicContact CD1-CG2 3.94Å; F261-T266 HydrophobicContact CE1-CG2 4.46Å; E263-T266 WeakPolarHBondContact O-CB 3.46Å; E263-T266 PolarHBondContact O-N 3.48Å; L264-T266 VanDerWaalsContact C-N 3.35Å; T266-E268 VanDerWaalsContact C-N 3.35Å; T266-E268 PolarHBondContact O-N 2.8Å; T266-E269 PolarHBondContact O-N 2.82Å; T266-L270 HydrophobicContact CG2-CD1 4.35Å; T266-L270 VanDerWaalsContact O-CG 3.28Å; T266-L270 WeakPolarHBondContact O-CG 3.47Å; T266-L270 PolarHBondContact O-N 3.29Å
267	L	91.9	Very high	90.4	Very high	5 Å²	5	44.4 Å²	44.4	3%	0.026	21%	0.211	C	C	.	.	H	α-helix	trans	-60.8	-44.4	178.2	-72	171.6	0	0	0	111.7	L109 A142 L149 F261 E263 L264 E269 L270 V271 L284	L109-L267 HydrophobicContact CD2-CD2 3.96Å; A142-L267 HydrophobicContact CB-CD1 4.32Å; L149-L267 HydrophobicContact CD1-CD1 3.84Å; L149-L267 HydrophobicContact CD1-CD2 4.08Å; L149-L267 HydrophobicContact CD2-CD2 3.91Å; F261-L267 VanDerWaalsContact O-CD2 3.24Å; F261-L267 WeakPolarHBondContact O-CD2 3.43Å; F261-L267 VanDerWaalsContact O-CG 3.26Å; F261-L267 WeakPolarHBondContact O-CG 3.47Å; E263-L267 PolarHBondContact O-N 2.76Å; L264-L267 PolarHBondContact O-N 3.29Å; L267-E269 PolarHBondContact O-N 3.46Å; L267-L270 PolarHBondContact O-N 2.54Å; L267-V271 WeakPolarHBondContact O-CG2 3.23Å; L267-V271 PolarHBondContact O-N 3.03Å; L267-L284 HydrophobicContact CB-CD1 4.17Å; L267-L284 HydrophobicContact CB-CD2 4.24Å; L267-L284 HydrophobicContact CD1-CD1 4.01Å
268	E	91.4	Very high	90.1	Very high	34 Å²	34	39.3 Å²	39.3	16%	0.159	19%	0.187	C	C	.	.	H	α-helix	trans	-59.2	-46.3	176.7	-177.8	176.8	165.2	0	0	111.7	L264 D265 T266 L270 V271 K272 L284 K286 I335	L264-E268 WeakPolarHBondContact O-CB 3.31Å; L264-E268 PolarHBondContact O-N 2.89Å; D265-E268 PolarHBondContact O-N 3.31Å; T266-E268 VanDerWaalsContact C-N 3.35Å; T266-E268 PolarHBondContact O-N 2.8Å; E268-L270 PolarHBondContact O-N 3.33Å; E268-V271 PolarHBondContact O-N 3.35Å; E268-K272 HydrophobicContact CG-CD 4.12Å; E268-K272 WeakPolarHBondContact O-CB 3.45Å; E268-K272 WeakPolarHBondContact O-CG 3.41Å; E268-K272 PolarHBondContact O-N 3.06Å; E268-K272 WeakPolarHBondContact OE1-CE 3.49Å; E268-K272 IonicContact OE1-NZ 2.77Å; E268-K272 PolarHBondContact OE1-NZ 2.97Å; E268-L284 HydrophobicContact CB-CD2 4.19Å; E268-K286 IonicContact OE2-NZ 3.47Å; E268-K286 PolarHBondContact OE2-NZ 2.96Å; E268-I335 HydrophobicContact CG-CD1 4.22Å; E268-I335 HydrophobicContact CG-CG2 4.18Å
269	E	91	Very high	89.5	Confident	118 Å²	118	43 Å²	43	55%	0.551	21%	0.207	S	C	*	.	H	α-helix	trans	-61.7	-41.5	176.6	-76.2	-171.3	167.2	0	0	112.5	D265 T266 L267 K272 K273	D265-E269 WeakPolarHBondContact O-CB 3.47Å; D265-E269 WeakPolarHBondContact O-CG 3.4Å; D265-E269 PolarHBondContact O-N 2.87Å; T266-E269 PolarHBondContact O-N 2.82Å; L267-E269 PolarHBondContact O-N 3.46Å; E269-K272 PolarHBondContact O-N 2.84Å; E269-K273 WeakPolarHBondContact O-CB 3.49Å; E269-K273 PolarHBondContact O-N 3.19Å
270	L	92.2	Very high	89.2	Confident	11 Å²	11	40.3 Å²	40.3	6%	0.058	20%	0.198	C	C	.	.	H	α-helix	trans	-66.4	-44.5	178.6	-69.9	-177.3	0	0	0	112.3	E106 L109 F261 T266 L267 E268 K273 Y274	E106-L270 HydrophobicContact CB-CD1 4.4Å; E106-L270 HydrophobicContact CB-CD2 3.63Å; E106-L270 HydrophobicContact CG-CD2 4.36Å; E106-L270 VanDerWaalsContact OE2-CD2 3.27Å; E106-L270 WeakPolarHBondContact OE2-CD2 3.29Å; L109-L270 HydrophobicContact CD2-CB 3.8Å; L109-L270 HydrophobicContact CD2-CD1 4.2Å; F261-L270 HydrophobicContact CD1-CD1 3.63Å; F261-L270 HydrophobicContact CE1-CD1 3.76Å; T266-L270 HydrophobicContact CG2-CD1 4.35Å; T266-L270 VanDerWaalsContact O-CG 3.28Å; T266-L270 WeakPolarHBondContact O-CG 3.47Å; T266-L270 PolarHBondContact O-N 3.29Å; L267-L270 PolarHBondContact O-N 2.54Å; E268-L270 PolarHBondContact O-N 3.33Å; L270-K273 PolarHBondContact O-N 2.92Å; L270-Y274 HydrophobicContact CD2-CD2 4.4Å; L270-Y274 HydrophobicContact CD2-CE2 4.09Å; L270-Y274 WeakPolarHBondContact O-CD2 3.46Å; L270-Y274 PolarHBondContact O-N 3.22Å
271	V	90.6	Very high	89.1	Confident	9 Å²	9	41.6 Å²	41.6	6%	0.055	21%	0.205	C	C	.	.	H	α-helix	trans	-62.5	-45.6	175.8	174.8	0	0	0	0	110.1	L109 I113 L267 E268 K273 Y274 S275 Q276 I282 I335	L109-V271 HydrophobicContact CD2-CG2 4.01Å; I113-V271 HydrophobicContact CD1-CG2 3.94Å; L267-V271 WeakPolarHBondContact O-CG2 3.23Å; L267-V271 PolarHBondContact O-N 3.03Å; E268-V271 PolarHBondContact O-N 3.35Å; V271-K273 VanDerWaalsContact C-N 3.26Å; V271-K273 PolarHBondContact O-N 3.48Å; V271-Y274 PolarHBondContact O-N 2.9Å; V271-S275 CarbonylContact O-C 3.6Å; V271-S275 WeakPolarHBondContact O-CA 3.18Å; V271-S275 PolarHBondContact O-N 2.76Å; V271-Q276 PolarHBondContact O-N 2.55Å; V271-Q276 VanDerWaalsContact O-N 3.08Å; V271-I282 HydrophobicContact CG1-CB 4.29Å; V271-I282 HydrophobicContact CG1-CD1 3.98Å; V271-I282 HydrophobicContact CG1-CG2 3.85Å; V271-I282 HydrophobicContact CG2-CG2 4.39Å; V271-I335 HydrophobicContact CB-CG2 3.82Å; V271-I335 HydrophobicContact CG1-CB 4Å; V271-I335 HydrophobicContact CG1-CG2 3.56Å
272	K	88.7	Confident	89	Confident	77 Å²	77	41.1 Å²	41.1	34%	0.335	20%	0.203	S	C	.	.	H	α-helix	trans	-64.2	-28.9	176.4	-75.7	178.3	173.9	172.2	0	113.1	E268 E269 Q276 I335	E268-K272 HydrophobicContact CG-CD 4.12Å; E268-K272 WeakPolarHBondContact O-CB 3.45Å; E268-K272 WeakPolarHBondContact O-CG 3.41Å; E268-K272 PolarHBondContact O-N 3.06Å; E268-K272 WeakPolarHBondContact OE1-CE 3.49Å; E268-K272 IonicContact OE1-NZ 2.77Å; E268-K272 PolarHBondContact OE1-NZ 2.97Å; E269-K272 PolarHBondContact O-N 2.84Å; K272-Q276 WeakPolarHBondContact O-CB 3.39Å; K272-I335 HydrophobicContact CG-CG2 3.94Å
273	K	86.7	Confident	89	Confident	72 Å²	72	43.5 Å²	43.5	31%	0.313	21%	0.213	S	C	.	.	H	α-helix	trans	-77.1	-49	177.9	-178.7	174.6	171.5	-169.7	0	111.9	E106 E269 L270 V271 F415	E106-K273 IonicContact OE1-NZ 3.03Å; E106-K273 PolarHBondContact OE1-NZ 3.17Å; E106-K273 IonicContact OE2-NZ 2.98Å; E106-K273 PolarHBondContact OE2-NZ 3.3Å; E269-K273 WeakPolarHBondContact O-CB 3.49Å; E269-K273 PolarHBondContact O-N 3.19Å; L270-K273 PolarHBondContact O-N 2.92Å; V271-K273 VanDerWaalsContact C-N 3.26Å; V271-K273 PolarHBondContact O-N 3.48Å; K273-F415 WeakPolarHBondContact O-CB 3.36Å
274	Y	87.6	Confident	89	Confident	11 Å²	11	39.8 Å²	39.8	4%	0.043	20%	0.196	C	C	.	.	H	α-helix	trans	-101.1	-32.5	-167.4	-70.7	-68.3	0	0	0	115.1	E106 R110 L270 V271 F415	E106-Y274 HydrophobicContact CB-CE2 4.36Å; E106-Y274 HydrophobicContact CG-CE2 3.77Å; E106-Y274 WeakPolarHBondContact CG-OH 3.23Å; E106-Y274 PolarHBondContact OE1-OH 3.28Å; E106-Y274 PolarHBondContact OE2-OH 3.06Å; R110-Y274 HydrophobicContact CB-CD1 4.23Å; R110-Y274 HydrophobicContact CB-CG 3.98Å; R110-Y274 HydrophobicContact CG-CD1 4.2Å; R110-Y274 HydrophobicContact CG-CG 4.28Å; L270-Y274 HydrophobicContact CD2-CD2 4.4Å; L270-Y274 HydrophobicContact CD2-CE2 4.09Å; L270-Y274 WeakPolarHBondContact O-CD2 3.46Å; L270-Y274 PolarHBondContact O-N 3.22Å; V271-Y274 PolarHBondContact O-N 2.9Å; Y274-F415 HydrophobicContact CD1-CB 4.46Å; Y274-F415 AromaticContact CD1-CD1 3.71Å; Y274-F415 HydrophobicContact CD1-CD1 3.71Å; Y274-F415 AromaticContact CE1-CD1 3.77Å; Y274-F415 HydrophobicContact CE1-CD1 3.77Å; Y274-F415 HydrophobicContact CE1-CE1 4.2Å; Y274-F415 PolarHBondContact O-N 3.24Å
275	S	87.7	Confident	88.9	Confident	1 Å²	1	42.6 Å²	42.6	1%	0.007	21%	0.206	C	C	.	.	S	Bend	trans	-125.5	11.1	-162.5	-62.6	0	0	0	0	113.1	V271 F277 I278	V271-S275 CarbonylContact O-C 3.6Å; V271-S275 WeakPolarHBondContact O-CA 3.18Å; V271-S275 PolarHBondContact O-N 2.76Å; S275-F277 PolarHBondContact O-N 2.96Å; S275-I278 PolarHBondContact O-N 2.85Å
276	Q	86.2	Confident	88.6	Confident	14 Å²	14	39.4 Å²	39.4	7%	0.065	19%	0.187	C	C	.	.	T	Hydrogen-bonded Turn	trans	-54.9	-29	-177.6	-175.8	175.8	20.4	0	0	113.7	V271 K272 N336 T338 S360	V271-Q276 PolarHBondContact O-N 2.55Å; V271-Q276 VanDerWaalsContact O-N 3.08Å; K272-Q276 WeakPolarHBondContact O-CB 3.39Å; Q276-N336 WeakPolarHBondContact O-CB 3.32Å; Q276-T338 PolarHBondContact NE2-OG1 3.17Å; Q276-T338 VanDerWaalsContact NE2-OG1 3.11Å; Q276-S360 PolarHBondContact NE2-OG 3.49Å
277	F	86.9	Confident	88.1	Confident	2 Å²	2	39.5 Å²	39.5	1%	0.009	19%	0.189	C	C	.	.	T	Hydrogen-bonded Turn	trans	-116	14.5	-173.2	-56.8	-66.5	0	0	0	113.6	S275 T338 P340 W342 F357 Y410 R413	S275-F277 PolarHBondContact O-N 2.96Å; F277-T338 WeakPolarHBondContact CD1-O 3.44Å; F277-T338 HydrophobicContact CE1-CG2 3.79Å; F277-T338 WeakPolarHBondContact CE1-O 3.34Å; F277-T338 HydrophobicContact CZ-CG2 4.34Å; F277-P340 HydrophobicContact CB-CB 4.35Å; F277-P340 HydrophobicContact CD1-CB 4.13Å; F277-W342 HydrophobicContact CB-CH2 3.82Å; F277-W342 HydrophobicContact CB-CZ2 4.22Å; F277-W342 AromaticContact CD1-CH2 3.54Å; F277-W342 HydrophobicContact CD1-CH2 3.54Å; F277-W342 AromaticContact CD1-CZ3 3.81Å; F277-W342 HydrophobicContact CD1-CZ3 3.81Å; F277-W342 AromaticContact CD2-CH2 3.46Å; F277-W342 HydrophobicContact CD2-CH2 3.46Å; F277-W342 VanDerWaalsContact CD2-CH2 3.46Å; F277-W342 HydrophobicContact CD2-CZ2 4.4Å; F277-W342 HydrophobicContact CD2-CZ3 4.23Å; F277-W342 AromaticContact CE1-CH2 3.87Å; F277-W342 HydrophobicContact CE1-CH2 3.87Å; F277-W342 AromaticContact CE1-CZ3 3.73Å; F277-W342 HydrophobicContact CE1-CZ3 3.73Å; F277-W342 AromaticContact CE2-CH2 3.76Å; F277-W342 HydrophobicContact CE2-CH2 3.76Å; F277-W342 HydrophobicContact CE2-CZ3 4.12Å; F277-W342 AromaticContact CG-CH2 3.31Å; F277-W342 HydrophobicContact CG-CH2 3.31Å; F277-W342 HydrophobicContact CG-CZ2 4.17Å; F277-W342 HydrophobicContact CG-CZ3 4.05Å; F277-W342 AromaticContact CZ-CH2 3.96Å; F277-W342 HydrophobicContact CZ-CH2 3.96Å; F277-W342 AromaticContact CZ-CZ3 3.88Å; F277-W342 HydrophobicContact CZ-CZ3 3.88Å; F277-F357 AromaticContact CE1-CE2 3.69Å; F277-F357 HydrophobicContact CE1-CE2 3.69Å; F277-F357 AromaticContact CZ-CE2 3.61Å; F277-F357 HydrophobicContact CZ-CE2 3.61Å; F277-F357 HydrophobicContact CZ-CZ 4.15Å; F277-Y410 HydrophobicContact CD2-CD1 4.31Å; F277-Y410 AromaticContact CD2-CE1 3.58Å; F277-Y410 HydrophobicContact CD2-CE1 3.58Å; F277-Y410 AromaticContact CD2-CZ 3.74Å; F277-Y410 HydrophobicContact CE2-CE1 4.1Å; F277-Y410 HydrophobicContact CE2-CE2 4.42Å; F277-Y410 AromaticContact CE2-CZ 3.75Å; F277-Y410 WeakPolarHBondContact CE2-OH 3.46Å; F277-R413 HydrophobicContact CB-CB 4.26Å; F277-R413 WeakPolarHBondContact O-CB 3.41Å; F277-R413 WeakPolarHBondContact O-CD 3.42Å
278	I	85.6	Confident	87.5	Confident	12 Å²	12	44.1 Å²	44.1	6%	0.062	21%	0.209	C	C	.	.			trans	-61.7	139.7	168.6	-71	-177.5	0	0	0	108.8	I113 S275 F280 I282 N336	I113-I278 HydrophobicContact CB-CD1 4.32Å; I113-I278 HydrophobicContact CG2-CD1 3.43Å; I113-I278 VanDerWaalsContact CG2-CD1 3.43Å; S275-I278 PolarHBondContact O-N 2.85Å; I278-F280 PolarHBondContact O-N 2.79Å; I278-I282 HydrophobicContact CB-CD1 4.3Å; I278-N336 PolarHBondContact O-ND2 2.92Å
279	N	81.1	Confident	86.9	Confident	78 Å²	78	47.1 Å²	47.1	42%	0.417	23%	0.23	S	C	.	.	S	Bend	trans	-71.5	-11.2	-168	-169.7	45.1	0	0	0	114.1
280	F	86.5	Confident	86.4	Confident	43 Å²	43	44.7 Å²	44.7	19%	0.189	22%	0.223	C	C	.	.	S	Bend	trans	-109.2	146	-179.4	-61.4	-77.5	0	0	0	110.9	S117 L120 D121 I278 I282 N336	S117-F280 WeakPolarHBondContact O-CE2 3.43Å; L120-F280 HydrophobicContact CB-CD1 3.95Å; L120-F280 HydrophobicContact CB-CD2 3.76Å; L120-F280 HydrophobicContact CB-CE1 3.72Å; L120-F280 HydrophobicContact CB-CE2 3.51Å; L120-F280 HydrophobicContact CB-CG 3.97Å; L120-F280 HydrophobicContact CB-CZ 3.5Å; L120-F280 VanDerWaalsContact CB-CZ 3.5Å; L120-F280 HydrophobicContact CD1-CB 3.71Å; L120-F280 HydrophobicContact CD1-CD1 3.94Å; L120-F280 HydrophobicContact CD1-CD2 3.87Å; L120-F280 HydrophobicContact CD1-CG 3.56Å; L120-F280 HydrophobicContact CG-CD1 4.44Å; L120-F280 HydrophobicContact CG-CD2 4.48Å; L120-F280 HydrophobicContact CG-CG 4.37Å; D121-F280 HydrophobicContact CB-CE2 4.45Å; D121-F280 WeakPolarHBondContact OD1-CZ 3.44Å; I278-F280 PolarHBondContact O-N 2.79Å; F280-I282 PolarHBondContact O-N 2.64Å; F280-N336 PolarHBondContact O-ND2 2.97Å
281	N	89.8	Confident	85.6	Confident	107 Å²	107	49.5 Å²	49.5	57%	0.572	25%	0.245	S	C	*	.			trans	-63.2	128.4	178.1	-69.2	-8.4	0	0	0	110.9	F283 L334	N281-F283 HydrophobicContact CB-CD2 4.27Å; N281-F283 HydrophobicContact CB-CE2 3.47Å; N281-F283 VanDerWaalsContact CB-CE2 3.47Å; N281-F283 HydrophobicContact CB-CZ 3.74Å; N281-L334 HydrophobicContact CB-CD1 3.66Å
282	I	90.3	Very high	84.9	Confident	10 Å²	10	51.5 Å²	51.5	5%	0.051	26%	0.257	C	S	.	.			trans	-108.8	116	176.1	-57	168.8	0	0	0	107.2	I113 L140 V271 I278 F280 I335 N336	I113-I282 HydrophobicContact CD1-CD1 4.49Å; I113-I282 HydrophobicContact CG2-CD1 3.69Å; I113-I282 HydrophobicContact CG2-CG1 4.31Å; L140-I282 HydrophobicContact CD1-CG2 4.07Å; V271-I282 HydrophobicContact CG1-CB 4.29Å; V271-I282 HydrophobicContact CG1-CD1 3.98Å; V271-I282 HydrophobicContact CG1-CG2 3.85Å; V271-I282 HydrophobicContact CG2-CG2 4.39Å; I278-I282 HydrophobicContact CB-CD1 4.3Å; F280-I282 PolarHBondContact O-N 2.64Å; I282-I335 PolarHBondContact O-N 3.31Å; I282-N336 HydrophobicContact CD1-CB 4.33Å; I282-N336 PolarHBondContact N-OD1 3.11Å
283	F	91	Very high	83.9	Confident	56 Å²	56	53 Å²	53	25%	0.246	27%	0.265	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.9	149.3	177.2	-60	-86.7	0	0	0	110.3	L140 N281 W332 E333 L334	L140-F283 WeakPolarHBondContact CB-O 3.32Å; N281-F283 HydrophobicContact CB-CD2 4.27Å; N281-F283 HydrophobicContact CB-CE2 3.47Å; N281-F283 VanDerWaalsContact CB-CE2 3.47Å; N281-F283 HydrophobicContact CB-CZ 3.74Å; F283-W332 HydrophobicContact CB-CB 4.18Å; F283-W332 HydrophobicContact CB-CD2 4.36Å; F283-W332 HydrophobicContact CB-CE3 3.7Å; F283-W332 HydrophobicContact CD1-CB 4.15Å; F283-W332 HydrophobicContact CG-CB 4.39Å; F283-E333 CarbonylContact C-O 3.54Å; F283-E333 VanDerWaalsContact CA-O 3.23Å; F283-E333 WeakPolarHBondContact CA-O 3.23Å; F283-L334 HydrophobicContact CD1-CB 4.21Å; F283-L334 HydrophobicContact CD1-CD1 4.48Å; F283-L334 HydrophobicContact CE1-CB 4.02Å; F283-L334 HydrophobicContact CE1-CD1 4.13Å; F283-L334 HydrophobicContact CZ-CD1 4.29Å
284	L	90.3	Very high	82.7	Confident	14 Å²	14	53.8 Å²	53.8	7%	0.073	27%	0.27	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.7	133.4	170.9	-178.7	64.6	0	0	0	108.8	L267 E268 K286 E333 I335	L267-L284 HydrophobicContact CB-CD1 4.17Å; L267-L284 HydrophobicContact CB-CD2 4.24Å; L267-L284 HydrophobicContact CD1-CD1 4.01Å; E268-L284 HydrophobicContact CB-CD2 4.19Å; L284-K286 PolarHBondContact O-N 2.63Å; L284-K286 VanDerWaalsContact O-N 3.14Å; L284-E333 PolarHBondContact N-O 2.87Å; L284-E333 PolarHBondContact O-N 2.89Å; L284-I335 HydrophobicContact CB-CD1 3.88Å; L284-I335 HydrophobicContact CB-CG1 3.61Å; L284-I335 HydrophobicContact CD2-CD1 4.36Å
285	W	87.9	Confident	81.1	Confident	78 Å²	78	57.3 Å²	57.3	30%	0.295	29%	0.294	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.9	100.2	175.3	-167.7	-115.2	0	0	0	109.4	L264 W330 W332	L264-W285 WeakPolarHBondContact CD2-O 3.04Å; W285-W330 AromaticContact CD1-CE3 3.56Å; W285-W330 HydrophobicContact CG-CE3 4.3Å; W285-W330 HydrophobicContact CH2-CB 4.21Å; W285-W330 WeakPolarHBondContact CH2-O 3.34Å; W285-W330 HydrophobicContact CZ2-CB 3.48Å; W285-W330 VanDerWaalsContact CZ2-CB 3.48Å; W285-W330 AromaticContact NE1-CE3 3.63Å; W285-W332 HydrophobicContact CB-CE3 4.23Å; W285-W332 HydrophobicContact CB-CH2 3.69Å; W285-W332 HydrophobicContact CB-CZ3 3.55Å; W285-W332 HydrophobicContact CD2-CH2 4.26Å; W285-W332 HydrophobicContact CD2-CZ2 4.24Å; W285-W332 AromaticContact CE3-CD1 3.95Å; W285-W332 AromaticContact CE3-CD2 3.56Å; W285-W332 HydrophobicContact CE3-CD2 3.56Å; W285-W332 AromaticContact CE3-CE2 3.41Å; W285-W332 VanDerWaalsContact CE3-CE2 3.41Å; W285-W332 AromaticContact CE3-CE3 3.98Å; W285-W332 HydrophobicContact CE3-CE3 3.98Å; W285-W332 AromaticContact CE3-CG 3.88Å; W285-W332 HydrophobicContact CE3-CG 3.88Å; W285-W332 AromaticContact CE3-CH2 3.97Å; W285-W332 HydrophobicContact CE3-CH2 3.97Å; W285-W332 AromaticContact CE3-CZ2 3.67Å; W285-W332 HydrophobicContact CE3-CZ2 3.67Å; W285-W332 HydrophobicContact CE3-CZ3 4.13Å; W285-W332 AromaticContact CE3-NE1 3.73Å; W285-W332 HydrophobicContact CG-CH2 4.2Å; W285-W332 HydrophobicContact CG-CZ3 4.4Å; W285-W332 AromaticContact CZ3-CD1 3.63Å; W285-W332 HydrophobicContact CZ3-CD2 4.06Å; W285-W332 AromaticContact CZ3-CE2 3.75Å; W285-W332 AromaticContact CZ3-CG 3.96Å; W285-W332 HydrophobicContact CZ3-CG 3.96Å; W285-W332 HydrophobicContact CZ3-CZ2 4.27Å; W285-W332 AromaticContact CZ3-NE1 3.54Å
286	K	84.4	Confident	79.5	Confident	36 Å²	36	62.8 Å²	62.8	16%	0.157	32%	0.32	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.8	147.3	-174.2	-168.9	170.3	-165.2	172.3	0	110.8	L264 D265 E268 L284 D331	L264-K286 HydrophobicContact CD1-CG 4.05Å; D265-K286 IonicContact OD1-NZ 3.46Å; D265-K286 PolarHBondContact OD1-NZ 2.92Å; E268-K286 IonicContact OE2-NZ 3.47Å; E268-K286 PolarHBondContact OE2-NZ 2.96Å; L284-K286 PolarHBondContact O-N 2.63Å; L284-K286 VanDerWaalsContact O-N 3.14Å; K286-D331 PolarHBondContact N-O 3Å; K286-D331 VanDerWaalsContact N-O 3.15Å; K286-D331 PolarHBondContact O-N 2.59Å; K286-D331 VanDerWaalsContact O-N 3.11Å
287	S	82.6	Confident	77.8	Confident	42 Å²	42	71.3 Å²	71.3	29%	0.294	36%	0.359	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.3	138.9	172.2	53.1	0	0	0	0	111.6	V329	S287-V329 CarbonylContact C-O 3.56Å; S287-V329 WeakPolarHBondContact CA-O 3.41Å
288	K	78.5	Confident	75.8	Confident	101 Å²	101	75.1 Å²	75.1	44%	0.439	39%	0.392	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.9	136.2	171.4	-66.3	-175.9	178.5	-175.7	0	109.4	V290 T328 V329 E333	K288-V290 PolarHBondContact O-N 3.06Å; K288-T328 WeakPolarHBondContact O-CA 3.45Å; K288-V329 PolarHBondContact N-O 3.25Å; K288-V329 PolarHBondContact O-N 3.17Å; K288-E333 VanDerWaalsContact CE-OE1 3.3Å; K288-E333 WeakPolarHBondContact CE-OE1 3.35Å; K288-E333 WeakPolarHBondContact CE-OE2 3.5Å; K288-E333 IonicContact NZ-OE1 3.41Å; K288-E333 PolarHBondContact NZ-OE1 2.87Å; K288-E333 IonicContact NZ-OE2 3.55Å; K288-E333 PolarHBondContact NZ-OE2 2.85Å
289	V	80.4	Confident	73.6	Confident	98 Å²	98	84 Å²	84	59%	0.594	43%	0.433	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-85.1	110.2	173.2	-178.1	0	0	0	0	107.9	K326	V289-K326 HydrophobicContact CG1-CB 3.74Å; V289-K326 HydrophobicContact CG1-CD 4.08Å; V289-K326 HydrophobicContact CG1-CG 4.04Å
290	V	79.6	Confident	71.6	Confident	67 Å²	67	89.5 Å²	89.5	41%	0.406	45%	0.453	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.4	130.9	178.5	-175.9	0	0	0	0	108.7	K288 V292 K327 V329	K288-V290 PolarHBondContact O-N 3.06Å; V290-V292 HydrophobicContact CG1-CG2 4.39Å; V290-V292 PolarHBondContact O-N 2.93Å; V290-K327 PolarHBondContact N-O 2.88Å; V290-K327 PolarHBondContact O-N 3.23Å; V290-V329 HydrophobicContact CB-CG2 4.46Å; V290-V329 HydrophobicContact CG2-CB 4.44Å; V290-V329 HydrophobicContact CG2-CG2 4.21Å
291	E	75.5	Confident	69.5	Low	112 Å²	112	97.4 Å²	97.4	52%	0.523	49%	0.487	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.1	113.1	169.7	-69.9	-172.4	173.3	0	0	108.7	K326	E291-K326 HydrophobicContact CG-CG 4.01Å; E291-K326 WeakPolarHBondContact OE1-CE 3.44Å
292	V	75.2	Confident	66.9	Low	51 Å²	51	101.2 Å²	101.2	31%	0.309	50%	0.502	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.9	134.1	175.6	-174.5	0	0	0	0	107.9	V290 E294 K324 T325 K327	V290-V292 HydrophobicContact CG1-CG2 4.39Å; V290-V292 PolarHBondContact O-N 2.93Å; V292-E294 HydrophobicContact CG1-CG 4.27Å; V292-K324 CarbonylContact O-C 3.53Å; V292-K324 WeakPolarHBondContact O-CA 3.38Å; V292-T325 PolarHBondContact N-O 3.42Å; V292-T325 PolarHBondContact O-N 3.04Å; V292-T325 PolarHBondContact O-OG1 3.39Å; V292-K327 HydrophobicContact CG2-CB 4.19Å
293	E	67.6	Low	64.5	Low	109 Å²	109	109.5 Å²	109.5	51%	0.509	54%	0.54	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.1	106.4	171.8	-79.7	-171.8	-166	0	0	109.2	T322 K324	E293-T322 HydrophobicContact CB-CG2 4.28Å; E293-T322 PolarHBondContact OE2-OG1 3.44Å; E293-K324 HydrophobicContact CG-CG 3.7Å; E293-K324 WeakPolarHBondContact OE1-CE 3.41Å; E293-K324 IonicContact OE1-NZ 3.3Å
294	E	62.3	Low	62.1	Low	87 Å²	87	115.2 Å²	115.2	41%	0.407	57%	0.572	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-101.3	139.9	173.8	-72.4	174.7	158.6	0	0	109.6	V292 K323 T325	V292-E294 HydrophobicContact CG1-CG 4.27Å; E294-K323 PolarHBondContact N-O 2.76Å; E294-K323 PolarHBondContact O-N 3.31Å; E294-T325 PolarHBondContact OE2-OG1 3.47Å
295	P	54.7	Low	59.7	Low	86 Å²	86	117.8 Å²	117.8	56%	0.558	60%	0.602	S	S	*	*	E	Extended strand (participates in β ladder)	trans	-66	135.8	175.7	25.8	-31.2	0	0	0	110.8	E297	P295-E297 PolarHBondContact O-N 2.77Å
296	E	53.3	Low	57.5	Low	116 Å²	116	121 Å²	121	54%	0.542	63%	0.625	S	S	.	*			trans	-63.3	114.1	173.6	-97.1	179.6	159.4	0	0	110.3	A298 K321 K323	E296-A298 PolarHBondContact O-N 2.96Å; E296-K321 PolarHBondContact N-O 2.94Å; E296-K323 HydrophobicContact CG-CB 4.18Å
297	E	50.5	Low	55.6	Low	192 Å²	192	127.1 Å²	127.1	90%	0.897	66%	0.655	S	S	*	*			trans	-66.5	112.9	165.6	-76.1	-170.6	162.8	0	0	109.1	P295 E299	P295-E297 PolarHBondContact O-N 2.77Å; E297-E299 PolarHBondContact O-N 3.34Å
298	A	45.8	Very low	53.8	Low	83 Å²	83	132.5 Å²	132.5	69%	0.686	68%	0.675	S	S	*	*			trans	-73.2	110.6	174.6	0	0	0	0	0	110	E296 K300	E296-A298 PolarHBondContact O-N 2.96Å; A298-K300 PolarHBondContact O-N 3.4Å
299	E	38.6	Very low	52.1	Low	198 Å²	198	136.4 Å²	136.4	93%	0.925	70%	0.695	S	S	*	*			trans	-56.4	103.4	165.8	-71	-178.1	165.5	0	0	109.9	E297	E297-E299 PolarHBondContact O-N 3.34Å
300	K	40.1	Very low	50.3	Low	194 Å²	194	135.3 Å²	135.3	84%	0.843	70%	0.703	S	S	*	*			trans	-111.4	112.3	169.4	-85.1	-173.8	177.6	178.9	0	110.5	A298	A298-K300 PolarHBondContact O-N 3.4Å
301	K	40.8	Very low	48.4	Very low	208 Å²	208	142 Å²	142	90%	0.904	73%	0.727	S	S	*	*			trans	-52	138.8	167.4	-70.4	173.4	172.4	177	0	111.6
302	E	36	Very low	46.6	Very low	187 Å²	187	143.1 Å²	143.1	87%	0.874	74%	0.741	S	S	*	*			trans	-67.2	134.4	171.3	-62.6	176.2	150	0	0	111.3
303	E	39.6	Very low	45	Very low	184 Å²	184	149.2 Å²	149.2	86%	0.86	77%	0.766	S	S	*	*			trans	-175.1	105.5	137.8	-103	176.2	-170.7	0	0	111.8
304	L	40.4	Very low	43.6	Very low	176 Å²	176	151.2 Å²	151.2	92%	0.921	78%	0.781	S	S	*	*			trans	39.2	124	141.1	-70.6	145.3	0	0	0	122.7
305	G	40	Very low	42.5	Very low	68 Å²	68	154 Å²	154	70%	0.701	80%	0.803	S	S	*	*				119.6	91.5	125.5	0	0	0	0	0	119.3
306	D	41	Very low	41.9	Very low	146 Å²	146	159 Å²	159	78%	0.781	82%	0.816	S	S	*	*			trans	50.3	126.8	136.4	-61.8	-15.9	0	0	0	124.5
307	E	45.9	Very low	41.1	Very low	165 Å²	165	163 Å²	163	77%	0.771	84%	0.835	S	S	*	*			trans	60.6	138.5	136	-60.7	177.7	179.4	0	0	119.3
308	E	44	Very low	40.7	Very low	154 Å²	154	162.8 Å²	162.8	72%	0.72	83%	0.834	S	S	*	*			cis	-166.5	148	2.6	-114.3	-176.4	172.2	0	0	107.8
309	E	42.3	Very low	40.6	Very low	183 Å²	183	168.6 Å²	168.6	86%	0.855	84%	0.843	S	S	*	*			trans	47	122.1	148.5	-56.7	-162.4	154.7	0	0	123.9
310	G	43	Very low	40.8	Very low	75 Å²	75	167.3 Å²	167.3	77%	0.773	84%	0.837	S	S	*	*			trans	150.5	95.7	134.5	0	0	0	0	0	119.7
311	K	40.1	Very low	41	Very low	207 Å²	207	165.8 Å²	165.8	90%	0.9	83%	0.831	S	S	*	*			trans	71.2	100.6	147.4	-84.9	178.1	172.7	174.4	0	122.6
312	V	37.3	Very low	41.5	Very low	137 Å²	137	159 Å²	159	83%	0.83	81%	0.807	S	S	*	*				23.7	118.1	129.4	-164.2	0	0	0	0	120.9
313	E	41.6	Very low	42.4	Very low	179 Å²	179	156 Å²	156	84%	0.836	79%	0.791	S	S	*	*				-170.3	128.1	127.5	-106.1	174.2	-170.5	0	0	112.1
314	D	38.6	Very low	43.8	Very low	151 Å²	151	153.3 Å²	153.3	81%	0.807	78%	0.777	S	S	*	*			trans	43.5	98.4	156.9	-63.8	-21	0	0	0	122.6
315	V	39.6	Very low	45.2	Very low	145 Å²	145	147 Å²	147	88%	0.879	75%	0.745	S	S	*	*			trans	-144.5	133.3	151.9	-170.6	0	0	0	0	112.2
316	K	41.1	Very low	47	Very low	192 Å²	192	151 Å²	151	84%	0.835	74%	0.743	S	S	*	*			trans	-43.3	138.4	179.9	-66.6	162.6	175.2	171.6	0	115.7	E318	K316-E318 PolarHBondContact O-N 3.02Å; K316-E318 VanDerWaalsContact O-N 3.13Å
317	E	37.6	Very low	48.8	Very low	199 Å²	199	149.7 Å²	149.7	93%	0.93	73%	0.731	S	S	*	*			trans	-60.8	107.7	164.8	-73.1	-179.4	160.2	0	0	110.9
318	E	40.8	Very low	50.6	Low	187 Å²	187	145.5 Å²	145.5	87%	0.874	72%	0.716	S	S	*	*	P	Polyproline II helix	trans	-71.8	125.4	164.2	-77.7	-176.5	145	0	0	109.7	K316 Q320	K316-E318 PolarHBondContact O-N 3.02Å; K316-E318 VanDerWaalsContact O-N 3.13Å; E318-Q320 PolarHBondContact O-N 3.17Å
319	K	44.1	Very low	52.6	Low	205 Å²	205	141.2 Å²	141.2	89%	0.891	70%	0.701	S	S	*	*	P	Polyproline II helix	trans	-60.9	117.9	169	-81.3	178.3	172.4	179.8	0	109.6	K321	K319-K321 PolarHBondContact O-N 3.38Å
320	Q	43.1	Very low	54.6	Low	171 Å²	171	138.3 Å²	138.3	80%	0.799	68%	0.682	S	S	*	*	P	Polyproline II helix	trans	-51.4	124.4	165	-87.3	175.4	-25.6	0	0	109.7	E318 T322	E318-Q320 PolarHBondContact O-N 3.17Å; Q320-T322 PolarHBondContact O-N 3.29Å
321	K	44.7	Very low	56.7	Low	162 Å²	162	139.6 Å²	139.6	70%	0.704	67%	0.671	S	S	*	*	P	Polyproline II helix	trans	-70.9	117.2	169.1	-81.7	178	174.6	176.4	0	108.4	E296 K319	E296-K321 PolarHBondContact N-O 2.94Å; K319-K321 PolarHBondContact O-N 3.38Å
322	T	50.8	Low	58.9	Low	67 Å²	67	132.4 Å²	132.4	41%	0.411	64%	0.638	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-88.6	136.7	166.2	48.4	0	0	0	0	109.2	E293 Q320	E293-T322 HydrophobicContact CB-CG2 4.28Å; E293-T322 PolarHBondContact OE2-OG1 3.44Å; Q320-T322 PolarHBondContact O-N 3.29Å
323	K	55.8	Low	61.4	Low	124 Å²	124	128.4 Å²	128.4	54%	0.539	61%	0.611	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-98.6	125.8	170.6	-173.6	175.6	179.8	-179.4	0	107.9	E294 E296 T325	E294-K323 PolarHBondContact N-O 2.76Å; E294-K323 PolarHBondContact O-N 3.31Å; E296-K323 HydrophobicContact CG-CB 4.18Å; K323-T325 HydrophobicContact CG-CG2 4.46Å; K323-T325 PolarHBondContact O-N 3.26Å
324	K	68.5	Low	63.6	Low	127 Å²	127	123 Å²	123	55%	0.552	59%	0.587	S	S	*	*	E	Extended strand (participates in β ladder)	trans	-73.6	106.8	172.4	-70	-176.9	175.7	-167.8	0	109	V292 E293	V292-K324 CarbonylContact O-C 3.53Å; V292-K324 WeakPolarHBondContact O-CA 3.38Å; E293-K324 HydrophobicContact CG-CG 3.7Å; E293-K324 WeakPolarHBondContact OE1-CE 3.41Å; E293-K324 IonicContact OE1-NZ 3.3Å
325	T	68.9	Low	66.1	Low	42 Å²	42	116 Å²	116	26%	0.258	55%	0.55	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.9	135.4	172.1	50	0	0	0	0	109.3	V292 E294 K323	V292-T325 PolarHBondContact N-O 3.42Å; V292-T325 PolarHBondContact O-N 3.04Å; V292-T325 PolarHBondContact O-OG1 3.39Å; E294-T325 PolarHBondContact OE2-OG1 3.47Å; K323-T325 HydrophobicContact CG-CG2 4.46Å; K323-T325 PolarHBondContact O-N 3.26Å
326	K	78.3	Confident	68.4	Low	152 Å²	152	109.7 Å²	109.7	66%	0.661	51%	0.511	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-84.7	114.8	176.3	-75	-177.2	-178.9	-175.2	0	108.5	V289 E291	V289-K326 HydrophobicContact CG1-CB 3.74Å; V289-K326 HydrophobicContact CG1-CD 4.08Å; V289-K326 HydrophobicContact CG1-CG 4.04Å; E291-K326 HydrophobicContact CG-CG 4.01Å; E291-K326 WeakPolarHBondContact OE1-CE 3.44Å
327	K	79.1	Confident	70.5	Confident	119 Å²	119	105.4 Å²	105.4	52%	0.517	50%	0.497	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.4	131.7	177.7	-168.5	172.2	-176	170.9	0	110.2	V290 V292	V290-K327 PolarHBondContact N-O 2.88Å; V290-K327 PolarHBondContact O-N 3.23Å; V292-K327 HydrophobicContact CG2-CB 4.19Å
328	T	83.5	Confident	72.7	Confident	77 Å²	77	97 Å²	97	47%	0.472	46%	0.459	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.7	117.7	173.8	-56.4	0	0	0	0	109.2	K288	K288-T328 WeakPolarHBondContact O-CA 3.45Å
329	V	85.1	Confident	74.8	Confident	65 Å²	65	95.3 Å²	95.3	39%	0.394	45%	0.449	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.9	131.7	176.6	-177.9	0	0	0	0	108.2	S287 K288 V290	S287-V329 CarbonylContact C-O 3.56Å; S287-V329 WeakPolarHBondContact CA-O 3.41Å; K288-V329 PolarHBondContact N-O 3.25Å; K288-V329 PolarHBondContact O-N 3.17Å; V290-V329 HydrophobicContact CB-CG2 4.46Å; V290-V329 HydrophobicContact CG2-CB 4.44Å; V290-V329 HydrophobicContact CG2-CG2 4.21Å
330	W	85.6	Confident	77	Confident	121 Å²	121	86.9 Å²	86.9	46%	0.458	42%	0.416	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-97	129.9	172.9	-69.1	83.9	0	0	0	109.2	L264 W285	L264-W330 HydrophobicContact CD1-CH2 4.14Å; L264-W330 HydrophobicContact CD1-CZ3 3.98Å; W285-W330 AromaticContact CD1-CE3 3.56Å; W285-W330 HydrophobicContact CG-CE3 4.3Å; W285-W330 HydrophobicContact CH2-CB 4.21Å; W285-W330 WeakPolarHBondContact CH2-O 3.34Å; W285-W330 HydrophobicContact CZ2-CB 3.48Å; W285-W330 VanDerWaalsContact CZ2-CB 3.48Å; W285-W330 AromaticContact NE1-CE3 3.63Å
331	D	87	Confident	79.3	Confident	102 Å²	102	79 Å²	79	55%	0.545	38%	0.379	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-149.9	165.3	179.4	-160.2	7.3	0	0	0	111.2	K286 E333	K286-D331 PolarHBondContact N-O 3Å; K286-D331 VanDerWaalsContact N-O 3.15Å; K286-D331 PolarHBondContact O-N 2.59Å; K286-D331 VanDerWaalsContact O-N 3.11Å; D331-E333 PolarHBondContact O-N 3.22Å
332	W	85.8	Confident	81.7	Confident	56 Å²	56	71.4 Å²	71.4	21%	0.212	35%	0.346	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.2	106.6	175	-70.4	112.8	0	0	0	110.9	E139 L140 F283 W285	E139-W332 HydrophobicContact CB-CH2 4.3Å; E139-W332 HydrophobicContact CB-CZ2 3.58Å; E139-W332 HydrophobicContact CG-CZ2 4.19Å; L140-W332 VanDerWaalsContact CA-CH2 3.49Å; L140-W332 HydrophobicContact CB-CH2 4.39Å; L140-W332 HydrophobicContact CB-CZ3 3.91Å; L140-W332 WeakPolarHBondContact O-CH2 3.5Å; L140-W332 WeakPolarHBondContact O-CZ3 3.49Å; F283-W332 HydrophobicContact CB-CB 4.18Å; F283-W332 HydrophobicContact CB-CD2 4.36Å; F283-W332 HydrophobicContact CB-CE3 3.7Å; F283-W332 HydrophobicContact CD1-CB 4.15Å; F283-W332 HydrophobicContact CG-CB 4.39Å; W285-W332 HydrophobicContact CB-CE3 4.23Å; W285-W332 HydrophobicContact CB-CH2 3.69Å; W285-W332 HydrophobicContact CB-CZ3 3.55Å; W285-W332 HydrophobicContact CD2-CH2 4.26Å; W285-W332 HydrophobicContact CD2-CZ2 4.24Å; W285-W332 AromaticContact CE3-CD1 3.95Å; W285-W332 AromaticContact CE3-CD2 3.56Å; W285-W332 HydrophobicContact CE3-CD2 3.56Å; W285-W332 AromaticContact CE3-CE2 3.41Å; W285-W332 VanDerWaalsContact CE3-CE2 3.41Å; W285-W332 AromaticContact CE3-CE3 3.98Å; W285-W332 HydrophobicContact CE3-CE3 3.98Å; W285-W332 AromaticContact CE3-CG 3.88Å; W285-W332 HydrophobicContact CE3-CG 3.88Å; W285-W332 AromaticContact CE3-CH2 3.97Å; W285-W332 HydrophobicContact CE3-CH2 3.97Å; W285-W332 AromaticContact CE3-CZ2 3.67Å; W285-W332 HydrophobicContact CE3-CZ2 3.67Å; W285-W332 HydrophobicContact CE3-CZ3 4.13Å; W285-W332 AromaticContact CE3-NE1 3.73Å; W285-W332 HydrophobicContact CG-CH2 4.2Å; W285-W332 HydrophobicContact CG-CZ3 4.4Å; W285-W332 AromaticContact CZ3-CD1 3.63Å; W285-W332 HydrophobicContact CZ3-CD2 4.06Å; W285-W332 AromaticContact CZ3-CE2 3.75Å; W285-W332 AromaticContact CZ3-CG 3.96Å; W285-W332 HydrophobicContact CZ3-CG 3.96Å; W285-W332 HydrophobicContact CZ3-CZ2 4.27Å; W285-W332 AromaticContact CZ3-NE1 3.54Å
333	E	89.1	Confident	83.6	Confident	54 Å²	54	70.5 Å²	70.5	25%	0.252	34%	0.338	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.2	128.1	176.5	-177.8	161.3	-146.1	0	0	111.8	F283 L284 K288 D331 I335	F283-E333 CarbonylContact C-O 3.54Å; F283-E333 VanDerWaalsContact CA-O 3.23Å; F283-E333 WeakPolarHBondContact CA-O 3.23Å; L284-E333 PolarHBondContact N-O 2.87Å; L284-E333 PolarHBondContact O-N 2.89Å; K288-E333 VanDerWaalsContact CE-OE1 3.3Å; K288-E333 WeakPolarHBondContact CE-OE1 3.35Å; K288-E333 WeakPolarHBondContact CE-OE2 3.5Å; K288-E333 IonicContact NZ-OE1 3.41Å; K288-E333 PolarHBondContact NZ-OE1 2.87Å; K288-E333 IonicContact NZ-OE2 3.55Å; K288-E333 PolarHBondContact NZ-OE2 2.85Å; D331-E333 PolarHBondContact O-N 3.22Å; E333-I335 HydrophobicContact CB-CD1 4.41Å; E333-I335 HydrophobicContact CG-CD1 4.09Å; E333-I335 PolarHBondContact O-N 3.37Å
334	L	89.2	Confident	85.3	Confident	64 Å²	64	68.2 Å²	68.2	34%	0.335	33%	0.326	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-70.9	120	174.6	179.7	67.8	0	0	0	110.3	N281 F283 N336 D337	N281-L334 HydrophobicContact CB-CD1 3.66Å; F283-L334 HydrophobicContact CD1-CB 4.21Å; F283-L334 HydrophobicContact CD1-CD1 4.48Å; F283-L334 HydrophobicContact CE1-CB 4.02Å; F283-L334 HydrophobicContact CE1-CD1 4.13Å; F283-L334 HydrophobicContact CZ-CD1 4.29Å; L334-N336 WeakPolarHBondContact CD1-OD1 3.46Å; L334-D337 HydrophobicContact CD2-CB 4.16Å; L334-D337 HydrophobicContact CG-CB 4.46Å
335	I	89.8	Confident	86.5	Confident	5 Å²	5	69 Å²	69	3%	0.026	33%	0.329	C	S	.	.	S	Bend	trans	-96.9	-33.8	-176	-55.8	-54.2	0	0	0	112.7	E268 V271 K272 I282 L284 E333 D337	E268-I335 HydrophobicContact CG-CD1 4.22Å; E268-I335 HydrophobicContact CG-CG2 4.18Å; V271-I335 HydrophobicContact CB-CG2 3.82Å; V271-I335 HydrophobicContact CG1-CB 4Å; V271-I335 HydrophobicContact CG1-CG2 3.56Å; K272-I335 HydrophobicContact CG-CG2 3.94Å; I282-I335 PolarHBondContact O-N 3.31Å; L284-I335 HydrophobicContact CB-CD1 3.88Å; L284-I335 HydrophobicContact CB-CG1 3.61Å; L284-I335 HydrophobicContact CD2-CD1 4.36Å; E333-I335 HydrophobicContact CB-CD1 4.41Å; E333-I335 HydrophobicContact CG-CD1 4.09Å; E333-I335 PolarHBondContact O-N 3.37Å; I335-D337 PolarHBondContact O-N 3.19Å
336	N	87.7	Confident	87.6	Confident	13 Å²	13	73.3 Å²	73.3	7%	0.07	34%	0.341	C	S	.	.			trans	-98.5	52.8	-179	70.9	-35.9	0	0	0	112.3	Q276 I278 F280 I282 L334 T338	Q276-N336 WeakPolarHBondContact O-CB 3.32Å; I278-N336 PolarHBondContact O-ND2 2.92Å; F280-N336 PolarHBondContact O-ND2 2.97Å; I282-N336 HydrophobicContact CD1-CB 4.33Å; I282-N336 PolarHBondContact N-OD1 3.11Å; L334-N336 WeakPolarHBondContact CD1-OD1 3.46Å; N336-T338 PolarHBondContact O-N 3.22Å
337	D	85.4	Confident	88.2	Confident	102 Å²	102	72.4 Å²	72.4	55%	0.545	34%	0.344	S	S	.	.			trans	-67.7	-20.9	-179.6	65.7	-9.4	0	0	0	114.3	L334 I335 K339	L334-D337 HydrophobicContact CD2-CB 4.16Å; L334-D337 HydrophobicContact CG-CB 4.46Å; I335-D337 PolarHBondContact O-N 3.19Å; D337-K339 PolarHBondContact O-N 3.45Å
338	T	83.7	Confident	88.8	Confident	21 Å²	21	72.1 Å²	72.1	13%	0.129	34%	0.344	C	S	.	.			trans	-81.6	113.2	-173.6	-51.5	0	0	0	0	110.9	Q276 F277 N336 F357 S360	Q276-T338 PolarHBondContact NE2-OG1 3.17Å; Q276-T338 VanDerWaalsContact NE2-OG1 3.11Å; F277-T338 WeakPolarHBondContact CD1-O 3.44Å; F277-T338 HydrophobicContact CE1-CG2 3.79Å; F277-T338 WeakPolarHBondContact CE1-O 3.34Å; F277-T338 HydrophobicContact CZ-CG2 4.34Å; N336-T338 PolarHBondContact O-N 3.22Å; T338-F357 HydrophobicContact CG2-CD2 4Å; T338-F357 HydrophobicContact CG2-CE2 4.36Å; T338-S360 PolarHBondContact OG1-OG 3.24Å
339	K	85.5	Confident	89.3	Confident	152 Å²	152	69 Å²	69	66%	0.661	33%	0.325	S	S	*	.			trans	-76.3	145.1	-177.9	-61.9	-174.7	-179	179.4	0	112.9	D337 I341	D337-K339 PolarHBondContact O-N 3.45Å; K339-I341 PolarHBondContact O-N 3.11Å
340	P	89.6	Confident	89.7	Confident	29 Å²	29	71.5 Å²	71.5	19%	0.188	34%	0.335	C	S	.	.			trans	-76.4	81.5	178.1	31	-35.6	0	0	0	112.1	F277 W342 L343	F277-P340 HydrophobicContact CB-CB 4.35Å; F277-P340 HydrophobicContact CD1-CB 4.13Å; P340-W342 VanDerWaalsContact CA-CZ3 3.5Å; P340-W342 HydrophobicContact CB-CD2 4.04Å; P340-W342 HydrophobicContact CB-CE3 3.94Å; P340-W342 HydrophobicContact CB-CH2 3.66Å; P340-W342 HydrophobicContact CB-CZ2 3.64Å; P340-W342 HydrophobicContact CB-CZ3 3.76Å; P340-W342 PolarHBondContact O-N 2.86Å; P340-W342 VanDerWaalsContact O-N 3.14Å; P340-L343 HydrophobicContact CB-CD1 3.99Å; P340-L343 HydrophobicContact CB-CG 4.28Å; P340-L343 HydrophobicContact CG-CD1 3.9Å; P340-L343 PolarHBondContact O-N 3.41Å
341	I	93.1	Very high	90.1	Very high	6 Å²	6	71.1 Å²	71.1	3%	0.031	34%	0.339	C	S	.	.	G	3₁₀ helix	trans	-64.1	-19.9	-174.1	60.7	160.7	0	0	0	114.1	K339 L343 R344 I349 Y354 F357 H373 I385	K339-I341 PolarHBondContact O-N 3.11Å; I341-L343 PolarHBondContact O-N 3.49Å; I341-R344 PolarHBondContact O-N 3.08Å; I341-I349 HydrophobicContact CB-CD1 4.33Å; I341-I349 WeakPolarHBondContact O-CD1 3.37Å; I341-Y354 HydrophobicContact CD1-CD1 3.63Å; I341-Y354 HydrophobicContact CD1-CE1 3.97Å; I341-Y354 HydrophobicContact CD1-CG 4.25Å; I341-F357 HydrophobicContact CD1-CB 3.52Å; I341-F357 HydrophobicContact CD1-CD1 3.79Å; I341-F357 HydrophobicContact CD1-CD2 4.21Å; I341-F357 HydrophobicContact CD1-CG 3.55Å; I341-F357 HydrophobicContact CG1-CB 4.11Å; I341-F357 HydrophobicContact CG1-CD1 4.05Å; I341-F357 HydrophobicContact CG1-CD2 3.87Å; I341-F357 HydrophobicContact CG1-CE1 4.49Å; I341-F357 HydrophobicContact CG1-CE2 4.34Å; I341-F357 HydrophobicContact CG1-CG 3.71Å; I341-H373 PolarHBondContact O-CE1 3.39Å; I341-I385 HydrophobicContact CD1-CD1 3.69Å; I341-I385 HydrophobicContact CG1-CD1 3.59Å
342	W	93.7	Very high	90.4	Very high	1 Å²	1	72.4 Å²	72.4	0%	0.004	35%	0.346	C	S	.	.	G	3₁₀ helix	trans	-70.9	-13.5	178.4	63.7	92.6	0	0	0	114.1	F277 P340 F357 H373 K383 I385 R413 I434 D436	F277-W342 HydrophobicContact CB-CH2 3.82Å; F277-W342 HydrophobicContact CB-CZ2 4.22Å; F277-W342 AromaticContact CD1-CH2 3.54Å; F277-W342 HydrophobicContact CD1-CH2 3.54Å; F277-W342 AromaticContact CD1-CZ3 3.81Å; F277-W342 HydrophobicContact CD1-CZ3 3.81Å; F277-W342 AromaticContact CD2-CH2 3.46Å; F277-W342 HydrophobicContact CD2-CH2 3.46Å; F277-W342 VanDerWaalsContact CD2-CH2 3.46Å; F277-W342 HydrophobicContact CD2-CZ2 4.4Å; F277-W342 HydrophobicContact CD2-CZ3 4.23Å; F277-W342 AromaticContact CE1-CH2 3.87Å; F277-W342 HydrophobicContact CE1-CH2 3.87Å; F277-W342 AromaticContact CE1-CZ3 3.73Å; F277-W342 HydrophobicContact CE1-CZ3 3.73Å; F277-W342 AromaticContact CE2-CH2 3.76Å; F277-W342 HydrophobicContact CE2-CH2 3.76Å; F277-W342 HydrophobicContact CE2-CZ3 4.12Å; F277-W342 AromaticContact CG-CH2 3.31Å; F277-W342 HydrophobicContact CG-CH2 3.31Å; F277-W342 HydrophobicContact CG-CZ2 4.17Å; F277-W342 HydrophobicContact CG-CZ3 4.05Å; F277-W342 AromaticContact CZ-CH2 3.96Å; F277-W342 HydrophobicContact CZ-CH2 3.96Å; F277-W342 AromaticContact CZ-CZ3 3.88Å; F277-W342 HydrophobicContact CZ-CZ3 3.88Å; P340-W342 VanDerWaalsContact CA-CZ3 3.5Å; P340-W342 HydrophobicContact CB-CD2 4.04Å; P340-W342 HydrophobicContact CB-CE3 3.94Å; P340-W342 HydrophobicContact CB-CH2 3.66Å; P340-W342 HydrophobicContact CB-CZ2 3.64Å; P340-W342 HydrophobicContact CB-CZ3 3.76Å; P340-W342 PolarHBondContact O-N 2.86Å; P340-W342 VanDerWaalsContact O-N 3.14Å; W342-F357 HydrophobicContact CE3-CE2 4.07Å; W342-F357 AromaticContact CE3-CZ 3.84Å; W342-F357 HydrophobicContact CE3-CZ 3.84Å; W342-F357 AromaticContact CZ3-CE2 3.6Å; W342-F357 HydrophobicContact CZ3-CE2 3.6Å; W342-F357 AromaticContact CZ3-CZ 3.56Å; W342-F357 HydrophobicContact CZ3-CZ 3.56Å; W342-H373 WeakPolarHBondContact CA-NE2 3.48Å; W342-H373 PolarHBondContact O-NE2 3.03Å; W342-K383 WeakPolarHBondContact O-CD 3.49Å; W342-I385 HydrophobicContact CB-CD1 3.74Å; W342-I385 HydrophobicContact CB-CG1 3.86Å; W342-R413 HydrophobicContact CZ2-CG 4.48Å; W342-I434 HydrophobicContact CB-CD1 3.94Å; W342-I434 HydrophobicContact CD2-CD1 3.19Å; W342-I434 HydrophobicContact CE3-CD1 2.98Å; W342-I434 HydrophobicContact CE3-CG1 4.46Å; W342-I434 HydrophobicContact CG-CD1 3.64Å; W342-I434 HydrophobicContact CH2-CD1 3.92Å; W342-I434 HydrophobicContact CZ2-CD1 4.2Å; W342-I434 HydrophobicContact CZ3-CD1 3.37Å; W342-D436 HydrophobicContact CZ2-CB 4.47Å; W342-D436 VanDerWaalsContact NE1-CB 3.3Å; W342-D436 PolarHBondContact NE1-OD2 3.43Å
343	L	91.1	Very high	90.8	Very high	48 Å²	48	72.6 Å²	72.6	25%	0.251	35%	0.349	S	S	.	.	G	3₁₀ helix	trans	-84	-27.2	176	-62.5	-179.7	0	0	0	112.2	P340 I341 K383 R413	P340-L343 HydrophobicContact CB-CD1 3.99Å; P340-L343 HydrophobicContact CB-CG 4.28Å; P340-L343 HydrophobicContact CG-CD1 3.9Å; P340-L343 PolarHBondContact O-N 3.41Å; I341-L343 PolarHBondContact O-N 3.49Å; L343-K383 HydrophobicContact CD2-CD 4.11Å; L343-R413 HydrophobicContact CD1-CG 4Å
344	R	92.6	Very high	91.2	Very high	76 Å²	76	70.3 Å²	70.3	29%	0.287	34%	0.338	S	S	.	.	S	Bend	trans	-75.2	152.7	178.6	-73.3	164.7	60.5	-164.5	-6.8	110.5	I341 Q348 I349 E353 H373	I341-R344 PolarHBondContact O-N 3.08Å; R344-Q348 PolarHBondContact NH2-O 3.49Å; R344-I349 HydrophobicContact CB-CD1 3.83Å; R344-I349 HydrophobicContact CB-CG1 3.91Å; R344-E353 IonicContact CZ-OE1 2.95Å; R344-E353 IonicContact CZ-OE2 2.69Å; R344-E353 IonicContact NH1-OE1 2.79Å; R344-E353 IonicContact NH1-OE2 3.64Å; R344-E353 PolarHBondContact NH1-OE2 3.3Å; R344-E353 IonicContact NH2-OE1 3.57Å; R344-E353 PolarHBondContact NH2-OE1 2.86Å; R344-E353 IonicContact NH2-OE2 3.74Å; R344-E353 PolarHBondContact NH2-OE2 2.87Å; R344-H373 PolarHBondContact O-CE1 3.13Å
345	K	91.7	Very high	91.5	Very high	143 Å²	143	68.4 Å²	68.4	62%	0.622	33%	0.329	S	S	*	.			trans	-69.8	144.7	173.1	-58.8	-179.1	176.6	176.5	0	109.4	D347 Q348	K345-D347 VanDerWaalsContact C-N 3.26Å; K345-D347 WeakPolarHBondContact CB-OD1 3.42Å; K345-D347 PolarHBondContact O-N 3.03Å; K345-Q348 HydrophobicContact CB-CG 4.4Å; K345-Q348 PolarHBondContact O-N 3.24Å
346	R	92.1	Very high	91.6	Very high	133 Å²	133	73.3 Å²	73.3	50%	0.502	35%	0.352	S	S	.	.	G	3₁₀ helix	trans	-62.1	-32.9	-171	-56	-172	-160.8	178.1	6	114	Q348 I349 H373	R346-Q348 PolarHBondContact O-N 3.22Å; R346-I349 PolarHBondContact O-N 2.77Å; R346-H373 HydrophobicContact CG-CB 4.27Å; R346-H373 PolarHBondContact NE-O 3.04Å; R346-H373 PolarHBondContact NH1-O 3.28Å; R346-H373 PolarHBondContact NH2-O 3.33Å
347	D	91.7	Very high	91.9	Very high	134 Å²	134	73 Å²	73	72%	0.717	35%	0.35	S	S	*	.	G	3₁₀ helix	trans	-68.9	-14.1	178.5	57.2	-43.2	0	0	0	113.3	K345	K345-D347 VanDerWaalsContact C-N 3.26Å; K345-D347 WeakPolarHBondContact CB-OD1 3.42Å; K345-D347 PolarHBondContact O-N 3.03Å
348	Q	92	Very high	92.3	Very high	112 Å²	112	68.5 Å²	68.5	52%	0.523	33%	0.325	S	S	.	.	G	3₁₀ helix	trans	-101.7	6.5	178.9	-59	178.5	-21.8	0	0	112.7	R344 K345 R346	R344-Q348 PolarHBondContact NH2-O 3.49Å; K345-Q348 HydrophobicContact CB-CG 4.4Å; K345-Q348 PolarHBondContact O-N 3.24Å; R346-Q348 PolarHBondContact O-N 3.22Å
349	I	94	Very high	92.8	Very high	13 Å²	13	70.5 Å²	70.5	7%	0.067	33%	0.332	C	S	.	.			trans	-121.4	120.7	-173.9	-54.5	163	0	0	0	108.7	I341 R344 R346 E353 Y354	I341-I349 HydrophobicContact CB-CD1 4.33Å; I341-I349 WeakPolarHBondContact O-CD1 3.37Å; R344-I349 HydrophobicContact CB-CD1 3.83Å; R344-I349 HydrophobicContact CB-CG1 3.91Å; R346-I349 PolarHBondContact O-N 2.77Å; I349-E353 HydrophobicContact CG2-CB 3.76Å; I349-Y354 HydrophobicContact CB-CE2 3.75Å; I349-Y354 WeakPolarHBondContact CD1-OH 3.25Å; I349-Y354 HydrophobicContact CG2-CD2 3.72Å; I349-Y354 HydrophobicContact CG2-CE1 4.39Å; I349-Y354 HydrophobicContact CG2-CE2 3.35Å; I349-Y354 HydrophobicContact CG2-CG 4.39Å
350	D	93.9	Very high	92.9	Very high	116 Å²	116	65.2 Å²	65.2	62%	0.62	32%	0.315	S	S	*	.			trans	-75.1	156.1	177.1	-68.7	-33.3	0	0	0	111.7	N352 E353 Y354	D350-N352 PolarHBondContact O-N 3.4Å; D350-E353 HydrophobicContact CB-CG 4.4Å; D350-E353 PolarHBondContact N-OE1 2.71Å; D350-E353 WeakPolarHBondContact O-CB 3.5Å; D350-E353 PolarHBondContact O-N 3.44Å; D350-Y354 WeakPolarHBondContact O-CD2 3.27Å; D350-Y354 PolarHBondContact O-N 3.46Å
351	E	93.1	Very high	92.8	Very high	114 Å²	114	64.4 Å²	64.4	53%	0.533	31%	0.308	S	S	.	.	H	α-helix	trans	-57.3	-38.6	178.7	-174	167.7	-169	0	0	112	E353 Y354 V355 Y371	E351-E353 VanDerWaalsContact C-N 3.27Å; E351-E353 PolarHBondContact O-N 3.1Å; E351-Y354 WeakPolarHBondContact O-CB 3.34Å; E351-Y354 PolarHBondContact O-N 3.35Å; E351-Y354 VanDerWaalsContact O-N 3.14Å; E351-V355 WeakPolarHBondContact O-CG2 3.5Å; E351-V355 PolarHBondContact O-N 3.38Å; E351-V355 VanDerWaalsContact O-N 3.12Å; E351-Y371 HydrophobicContact CG-CE1 4.29Å
352	N	94.2	Very high	92.6	Very high	128 Å²	128	65.7 Å²	65.7	68%	0.684	32%	0.317	S	S	*	.	H	α-helix	trans	-60.8	-34.5	176.7	-72.2	-19.5	0	0	0	112.6	D350 Y354 V355 E356	D350-N352 PolarHBondContact O-N 3.4Å; N352-Y354 VanDerWaalsContact C-N 3.34Å; N352-Y354 PolarHBondContact O-N 3.33Å; N352-V355 PolarHBondContact O-N 3.42Å; N352-E356 WeakPolarHBondContact O-CG 3.42Å; N352-E356 PolarHBondContact O-N 3.26Å
353	E	94.7	Very high	92.2	Very high	60 Å²	60	74.4 Å²	74.4	28%	0.28	35%	0.35	S	S	.	.	H	α-helix	trans	-67.9	-35.9	177.6	-63.2	-171.1	-94.5	0	0	111.6	R344 I349 D350 E351 V355 F357	R344-E353 IonicContact CZ-OE1 2.95Å; R344-E353 IonicContact CZ-OE2 2.69Å; R344-E353 IonicContact NH1-OE1 2.79Å; R344-E353 IonicContact NH1-OE2 3.64Å; R344-E353 PolarHBondContact NH1-OE2 3.3Å; R344-E353 IonicContact NH2-OE1 3.57Å; R344-E353 PolarHBondContact NH2-OE1 2.86Å; R344-E353 IonicContact NH2-OE2 3.74Å; R344-E353 PolarHBondContact NH2-OE2 2.87Å; I349-E353 HydrophobicContact CG2-CB 3.76Å; D350-E353 HydrophobicContact CB-CG 4.4Å; D350-E353 PolarHBondContact N-OE1 2.71Å; D350-E353 WeakPolarHBondContact O-CB 3.5Å; D350-E353 PolarHBondContact O-N 3.44Å; E351-E353 VanDerWaalsContact C-N 3.27Å; E351-E353 PolarHBondContact O-N 3.1Å; E353-V355 VanDerWaalsContact C-N 3.35Å; E353-F357 WeakPolarHBondContact O-CB 3.36Å; E353-F357 PolarHBondContact O-N 3.08Å
354	Y	95.8	Very high	91.9	Very high	7 Å²	7	73.7 Å²	73.7	3%	0.027	35%	0.349	C	S	.	.	H	α-helix	trans	-65.9	-38.4	172.3	-72.3	-78.3	0	0	0	112.1	I341 I349 D350 E351 N352 Y358 Y371 H373 I385 F387	I341-Y354 HydrophobicContact CD1-CD1 3.63Å; I341-Y354 HydrophobicContact CD1-CE1 3.97Å; I341-Y354 HydrophobicContact CD1-CG 4.25Å; I349-Y354 HydrophobicContact CB-CE2 3.75Å; I349-Y354 WeakPolarHBondContact CD1-OH 3.25Å; I349-Y354 HydrophobicContact CG2-CD2 3.72Å; I349-Y354 HydrophobicContact CG2-CE1 4.39Å; I349-Y354 HydrophobicContact CG2-CE2 3.35Å; I349-Y354 HydrophobicContact CG2-CG 4.39Å; D350-Y354 WeakPolarHBondContact O-CD2 3.27Å; D350-Y354 PolarHBondContact O-N 3.46Å; E351-Y354 WeakPolarHBondContact O-CB 3.34Å; E351-Y354 PolarHBondContact O-N 3.35Å; E351-Y354 VanDerWaalsContact O-N 3.14Å; N352-Y354 VanDerWaalsContact C-N 3.34Å; N352-Y354 PolarHBondContact O-N 3.33Å; Y354-Y358 WeakPolarHBondContact O-CB 3.45Å; Y354-Y358 PolarHBondContact O-N 3.35Å; Y354-Y371 AromaticContact CD1-CD2 3.76Å; Y354-Y371 HydrophobicContact CD1-CD2 3.76Å; Y354-Y371 AromaticContact CD1-CE2 3.73Å; Y354-Y371 HydrophobicContact CD1-CE2 3.73Å; Y354-Y371 HydrophobicContact CD1-CG 4.43Å; Y354-Y371 HydrophobicContact CD2-CD2 4.35Å; Y354-Y371 HydrophobicContact CD2-CE1 4.41Å; Y354-Y371 AromaticContact CD2-CE2 3.49Å; Y354-Y371 HydrophobicContact CD2-CE2 3.49Å; Y354-Y371 VanDerWaalsContact CD2-CE2 3.49Å; Y354-Y371 AromaticContact CD2-CZ 3.53Å; Y354-Y371 WeakPolarHBondContact CD2-OH 3.48Å; Y354-Y371 HydrophobicContact CE1-CD2 4.05Å; Y354-Y371 AromaticContact CE1-CE2 3.91Å; Y354-Y371 HydrophobicContact CE1-CE2 3.91Å; Y354-Y371 AromaticContact CE2-CE2 3.67Å; Y354-Y371 HydrophobicContact CE2-CE2 3.67Å; Y354-Y371 AromaticContact CG-CD2 3.92Å; Y354-Y371 HydrophobicContact CG-CD2 3.92Å; Y354-Y371 HydrophobicContact CG-CE1 4.25Å; Y354-Y371 AromaticContact CG-CE2 3.51Å; Y354-Y371 HydrophobicContact CG-CE2 3.51Å; Y354-Y371 HydrophobicContact CG-CG 4.45Å; Y354-Y371 AromaticContact CG-CZ 3.69Å; Y354-Y371 AromaticContact CZ-CE2 3.87Å; Y354-H373 HydrophobicContact CE1-CB 3.92Å; Y354-H373 AromaticContact CE1-ND1 3.77Å; Y354-H373 AromaticContact CZ-ND1 3.75Å; Y354-H373 PolarHBondContact OH-ND1 2.98Å; Y354-I385 HydrophobicContact CD1-CD1 4.39Å; Y354-I385 HydrophobicContact CD1-CG2 4.31Å; Y354-I385 HydrophobicContact CE1-CD1 4.03Å; Y354-I385 HydrophobicContact CE1-CG2 4.39Å; Y354-F387 HydrophobicContact CD1-CZ 4.47Å
355	V	95.5	Very high	91.8	Very high	24 Å²	24	75.5 Å²	75.5	15%	0.145	37%	0.37	C	S	.	.	H	α-helix	trans	-65.8	-49.5	177.9	174.4	0	0	0	0	110.7	E351 N352 E353 F357 Y358 K359 A367	E351-V355 WeakPolarHBondContact O-CG2 3.5Å; E351-V355 PolarHBondContact O-N 3.38Å; E351-V355 VanDerWaalsContact O-N 3.12Å; N352-V355 PolarHBondContact O-N 3.42Å; E353-V355 VanDerWaalsContact C-N 3.35Å; V355-F357 VanDerWaalsContact C-N 3.33Å; V355-F357 PolarHBondContact O-N 3.02Å; V355-Y358 WeakPolarHBondContact O-CB 3.29Å; V355-Y358 PolarHBondContact O-N 3.08Å; V355-K359 HydrophobicContact CG1-CD 4.43Å; V355-K359 WeakPolarHBondContact O-CG 3.32Å; V355-K359 PolarHBondContact O-N 2.97Å; V355-A367 HydrophobicContact CG1-CB 3.89Å
356	E	92.9	Very high	91.8	Very high	108 Å²	108	72.2 Å²	72.2	51%	0.505	36%	0.357	S	S	.	.	H	α-helix	trans	-64.5	-38.9	178.3	-67.6	-51.6	125.3	0	0	111.7	N352 Y358 K359 S360	N352-E356 WeakPolarHBondContact O-CG 3.42Å; N352-E356 PolarHBondContact O-N 3.26Å; E356-Y358 PolarHBondContact O-N 3.23Å; E356-K359 PolarHBondContact O-N 3.41Å; E356-K359 IonicContact OE1-NZ 3.18Å; E356-K359 PolarHBondContact OE1-NZ 2.9Å; E356-S360 WeakPolarHBondContact O-CB 3.5Å; E356-S360 PolarHBondContact O-N 3.5Å
357	F	93.8	Very high	91.9	Very high	6 Å²	6	68.1 Å²	68.1	3%	0.026	35%	0.352	C	S	.	.	H	α-helix	trans	-60.8	-43.5	172.3	-178.4	-100.3	0	0	0	112.4	F277 T338 I341 W342 E353 V355 S360 L361 F387 I434	F277-F357 AromaticContact CE1-CE2 3.69Å; F277-F357 HydrophobicContact CE1-CE2 3.69Å; F277-F357 AromaticContact CZ-CE2 3.61Å; F277-F357 HydrophobicContact CZ-CE2 3.61Å; F277-F357 HydrophobicContact CZ-CZ 4.15Å; T338-F357 HydrophobicContact CG2-CD2 4Å; T338-F357 HydrophobicContact CG2-CE2 4.36Å; I341-F357 HydrophobicContact CD1-CB 3.52Å; I341-F357 HydrophobicContact CD1-CD1 3.79Å; I341-F357 HydrophobicContact CD1-CD2 4.21Å; I341-F357 HydrophobicContact CD1-CG 3.55Å; I341-F357 HydrophobicContact CG1-CB 4.11Å; I341-F357 HydrophobicContact CG1-CD1 4.05Å; I341-F357 HydrophobicContact CG1-CD2 3.87Å; I341-F357 HydrophobicContact CG1-CE1 4.49Å; I341-F357 HydrophobicContact CG1-CE2 4.34Å; I341-F357 HydrophobicContact CG1-CG 3.71Å; W342-F357 HydrophobicContact CE3-CE2 4.07Å; W342-F357 AromaticContact CE3-CZ 3.84Å; W342-F357 HydrophobicContact CE3-CZ 3.84Å; W342-F357 AromaticContact CZ3-CE2 3.6Å; W342-F357 HydrophobicContact CZ3-CE2 3.6Å; W342-F357 AromaticContact CZ3-CZ 3.56Å; W342-F357 HydrophobicContact CZ3-CZ 3.56Å; E353-F357 WeakPolarHBondContact O-CB 3.36Å; E353-F357 PolarHBondContact O-N 3.08Å; V355-F357 VanDerWaalsContact C-N 3.33Å; V355-F357 PolarHBondContact O-N 3.02Å; F357-S360 PolarHBondContact O-N 3.23Å; F357-L361 HydrophobicContact CE1-CD2 4.1Å; F357-L361 VanDerWaalsContact O-CB 3.22Å; F357-L361 WeakPolarHBondContact O-CB 3.34Å; F357-L361 PolarHBondContact O-N 3.41Å; F357-F387 AromaticContact CD1-CE2 3.82Å; F357-F387 HydrophobicContact CD1-CE2 3.82Å; F357-F387 AromaticContact CD1-CZ 3.72Å; F357-F387 HydrophobicContact CD1-CZ 3.72Å; F357-F387 AromaticContact CE1-CE2 3.95Å; F357-F387 HydrophobicContact CE1-CE2 3.95Å; F357-F387 HydrophobicContact CE1-CZ 4.3Å; F357-I434 HydrophobicContact CE1-CD1 4.24Å; F357-I434 HydrophobicContact CE1-CG1 4.43Å; F357-I434 HydrophobicContact CZ-CD1 3.87Å; F357-I434 HydrophobicContact CZ-CG1 4.42Å; F357-I434 HydrophobicContact CZ-CG2 4.31Å
358	Y	94.9	Very high	92.2	Very high	8 Å²	8	62.5 Å²	62.5	3%	0.031	32%	0.323	C	S	.	.	H	α-helix	trans	-61.2	-45.4	176.3	171.7	-98.3	0	0	0	112.1	Y354 V355 E356 L361 T362 E366 P368 F387 P389 K432	Y354-Y358 WeakPolarHBondContact O-CB 3.45Å; Y354-Y358 PolarHBondContact O-N 3.35Å; V355-Y358 WeakPolarHBondContact O-CB 3.29Å; V355-Y358 PolarHBondContact O-N 3.08Å; E356-Y358 PolarHBondContact O-N 3.23Å; Y358-L361 PolarHBondContact O-N 3.46Å; Y358-T362 HydrophobicContact CD2-CG2 3.79Å; Y358-T362 HydrophobicContact CE2-CG2 3.49Å; Y358-T362 VanDerWaalsContact CE2-CG2 3.49Å; Y358-T362 HydrophobicContact CG-CG2 4.47Å; Y358-T362 WeakPolarHBondContact O-CB 3.37Å; Y358-T362 WeakPolarHBondContact O-CG2 3.09Å; Y358-T362 PolarHBondContact O-N 3.05Å; Y358-T362 PolarHBondContact O-OG1 3.16Å; Y358-E366 WeakPolarHBondContact CD1-O 3.38Å; Y358-E366 WeakPolarHBondContact CE1-O 3.34Å; Y358-P368 HydrophobicContact CD1-CB 4Å; Y358-P368 VanDerWaalsContact CD1-CD 3.43Å; Y358-P368 HydrophobicContact CD1-CG 4Å; Y358-P368 HydrophobicContact CD2-CB 3.89Å; Y358-P368 HydrophobicContact CD2-CG 4.27Å; Y358-P368 HydrophobicContact CE1-CB 4.14Å; Y358-P368 HydrophobicContact CE2-CB 4.02Å; Y358-P368 HydrophobicContact CG-CB 3.86Å; Y358-P368 HydrophobicContact CG-CG 3.8Å; Y358-F387 HydrophobicContact CD2-CB 3.51Å; Y358-F387 AromaticContact CD2-CD1 3.69Å; Y358-F387 HydrophobicContact CD2-CD1 3.69Å; Y358-F387 HydrophobicContact CD2-CD2 4.05Å; Y358-F387 HydrophobicContact CD2-CE1 4.41Å; Y358-F387 AromaticContact CD2-CG 3.49Å; Y358-F387 HydrophobicContact CD2-CG 3.49Å; Y358-F387 VanDerWaalsContact CD2-CG 3.49Å; Y358-F387 HydrophobicContact CE2-CB 3.7Å; Y358-F387 HydrophobicContact CE2-CG 4.21Å; Y358-F387 HydrophobicContact CG-CD1 4.12Å; Y358-F387 HydrophobicContact CG-CG 4.34Å; Y358-P389 WeakPolarHBondContact OH-CA 3.34Å; Y358-P389 WeakPolarHBondContact OH-CB 3.41Å; Y358-K432 HydrophobicContact CE2-CB 4.27Å; Y358-K432 HydrophobicContact CE2-CG 4.46Å
359	K	92.2	Very high	92.4	Very high	62 Å²	62	57.5 Å²	57.5	27%	0.27	30%	0.3	S	S	.	.	H	α-helix	trans	-60.9	-46.6	178	-68.7	176.1	-176.6	166.1	0	111.3	V355 E356 R363 S364 P365	V355-K359 HydrophobicContact CG1-CD 4.43Å; V355-K359 WeakPolarHBondContact O-CG 3.32Å; V355-K359 PolarHBondContact O-N 2.97Å; E356-K359 PolarHBondContact O-N 3.41Å; E356-K359 IonicContact OE1-NZ 3.18Å; E356-K359 PolarHBondContact OE1-NZ 2.9Å; K359-R363 VanDerWaalsContact O-CA 3.23Å; K359-R363 WeakPolarHBondContact O-CA 3.46Å; K359-R363 PolarHBondContact O-N 3.41Å; K359-S364 WeakPolarHBondContact CA-O 3.25Å; K359-S364 VanDerWaalsContact CB-O 3.29Å; K359-S364 WeakPolarHBondContact CB-O 3.5Å; K359-S364 VanDerWaalsContact CG-O 3.3Å; K359-S364 WeakPolarHBondContact CG-O 3.33Å; K359-S364 PolarHBondContact O-N 3.5Å; K359-P365 WeakPolarHBondContact CE-O 3.24Å
360	S	88	Confident	92.5	Very high	42 Å²	42	57.3 Å²	57.3	29%	0.294	30%	0.3	S	S	.	.	H	α-helix	trans	-61.1	-46.4	175.8	178.1	0	0	0	0	111.9	Q276 T338 E356 F357 T362	Q276-S360 PolarHBondContact NE2-OG 3.49Å; T338-S360 PolarHBondContact OG1-OG 3.24Å; E356-S360 WeakPolarHBondContact O-CB 3.5Å; E356-S360 PolarHBondContact O-N 3.5Å; F357-S360 PolarHBondContact O-N 3.23Å; S360-T362 PolarHBondContact O-N 3Å
361	L	88.8	Confident	92.7	Very high	11 Å²	11	54.9 Å²	54.9	6%	0.058	28%	0.282	C	S	.	.	H	α-helix	trans	-63.6	-42.4	-179	179.5	67.4	0	0	0	112.9	F357 Y358 F387 K408 I434	F357-L361 HydrophobicContact CE1-CD2 4.1Å; F357-L361 VanDerWaalsContact O-CB 3.22Å; F357-L361 WeakPolarHBondContact O-CB 3.34Å; F357-L361 PolarHBondContact O-N 3.41Å; Y358-L361 PolarHBondContact O-N 3.46Å; L361-F387 HydrophobicContact CD2-CD2 4.42Å; L361-F387 HydrophobicContact CD2-CE2 4.4Å; L361-K408 HydrophobicContact CD1-CD 3.83Å; L361-I434 HydrophobicContact CD1-CG2 3.65Å; L361-I434 HydrophobicContact CD2-CG2 3.91Å; L361-I434 HydrophobicContact CG-CG2 4.46Å
362	T	87.7	Confident	92.9	Very high	34 Å²	34	50.3 Å²	50.3	21%	0.209	26%	0.262	C	S	.	.	H	α-helix	trans	-97.1	-10	-172.5	62	0	0	0	0	114.1	Y358 S360 S364 K432	Y358-T362 HydrophobicContact CD2-CG2 3.79Å; Y358-T362 HydrophobicContact CE2-CG2 3.49Å; Y358-T362 VanDerWaalsContact CE2-CG2 3.49Å; Y358-T362 HydrophobicContact CG-CG2 4.47Å; Y358-T362 WeakPolarHBondContact O-CB 3.37Å; Y358-T362 WeakPolarHBondContact O-CG2 3.09Å; Y358-T362 PolarHBondContact O-N 3.05Å; Y358-T362 PolarHBondContact O-OG1 3.16Å; S360-T362 PolarHBondContact O-N 3Å; T362-S364 PolarHBondContact O-N 3.24Å; T362-S364 WeakPolarHBondContact OG1-CB 3.25Å; T362-S364 PolarHBondContact OG1-N 3.37Å; T362-K432 HydrophobicContact CG2-CB 3.91Å; T362-K432 HydrophobicContact CG2-CD 4.15Å; T362-K432 HydrophobicContact CG2-CG 3.87Å
363	R	84.9	Confident	93	Very high	184 Å²	184	44.6 Å²	44.6	69%	0.694	23%	0.232	S	C	*	.	T	Hydrogen-bonded Turn	trans	55.1	26.3	-169.9	-53	178.6	-179.5	-178.5	-2.6	112.6	K359	K359-R363 VanDerWaalsContact O-CA 3.23Å; K359-R363 WeakPolarHBondContact O-CA 3.46Å; K359-R363 PolarHBondContact O-N 3.41Å
364	S	86.1	Confident	93.1	Very high	33 Å²	33	41.8 Å²	41.8	23%	0.231	22%	0.218	C	C	.	.			trans	-98.9	139.8	176.9	-176.9	0	0	0	0	110.2	K359 T362 E366	K359-S364 WeakPolarHBondContact CA-O 3.25Å; K359-S364 VanDerWaalsContact CB-O 3.29Å; K359-S364 WeakPolarHBondContact CB-O 3.5Å; K359-S364 VanDerWaalsContact CG-O 3.3Å; K359-S364 WeakPolarHBondContact CG-O 3.33Å; K359-S364 PolarHBondContact O-N 3.5Å; T362-S364 PolarHBondContact O-N 3.24Å; T362-S364 WeakPolarHBondContact OG1-CB 3.25Å; T362-S364 PolarHBondContact OG1-N 3.37Å; S364-E366 VanDerWaalsContact C-N 3.26Å; S364-E366 PolarHBondContact OG-N 3.29Å
365	P	89.1	Confident	93.1	Very high	114 Å²	114	44.5 Å²	44.5	74%	0.74	24%	0.235	S	C	*	.	S	Bend	trans	-75.1	-17.2	170.3	31.9	-35.3	0	0	0	112.7	K359	K359-P365 WeakPolarHBondContact CE-O 3.24Å
366	E	92.1	Very high	93	Very high	73 Å²	73	43.9 Å²	43.9	34%	0.341	23%	0.233	S	C	.	.	S	Bend	trans	-78.4	149	-176.6	-61.8	-170.4	154.7	0	0	111.9	Y358 S364 K391	Y358-E366 WeakPolarHBondContact CD1-O 3.38Å; Y358-E366 WeakPolarHBondContact CE1-O 3.34Å; S364-E366 VanDerWaalsContact C-N 3.26Å; S364-E366 PolarHBondContact OG-N 3.29Å; E366-K391 IonicContact OE1-NZ 3.61Å; E366-K391 PolarHBondContact OE1-NZ 2.93Å
367	A	95.1	Very high	92.9	Very high	47 Å²	47	45.9 Å²	45.9	39%	0.388	24%	0.242	S	C	.	.	P	Polyproline II helix	trans	-77.6	154.1	171.7	0	0	0	0	0	110.9	V355	V355-A367 HydrophobicContact CG1-CB 3.89Å
368	P	96.8	Very high	92.6	Very high	17 Å²	17	48.9 Å²	48.9	11%	0.11	28%	0.275	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.1	148.8	173.1	31.6	-32	0	0	0	110.7	Y358 F387	Y358-P368 HydrophobicContact CD1-CB 4Å; Y358-P368 VanDerWaalsContact CD1-CD 3.43Å; Y358-P368 HydrophobicContact CD1-CG 4Å; Y358-P368 HydrophobicContact CD2-CB 3.89Å; Y358-P368 HydrophobicContact CD2-CG 4.27Å; Y358-P368 HydrophobicContact CE1-CB 4.14Å; Y358-P368 HydrophobicContact CE2-CB 4.02Å; Y358-P368 HydrophobicContact CG-CB 3.86Å; Y358-P368 HydrophobicContact CG-CG 3.8Å; P368-F387 HydrophobicContact CB-CB 4.29Å; P368-F387 HydrophobicContact CB-CD1 3.84Å; P368-F387 HydrophobicContact CG-CD1 3.79Å; P368-F387 HydrophobicContact CG-CE1 4.26Å
369	L	96.8	Very high	92.1	Very high	7 Å²	7	55.2 Å²	55.2	4%	0.037	30%	0.304	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-64.1	-44.2	173.1	179.8	62.3	0	0	0	111.6	I388 D390 K477 R480 F481	L369-I388 HydrophobicContact CB-CG2 4.39Å; L369-I388 HydrophobicContact CD2-CG2 4.26Å; L369-I388 PolarHBondContact N-O 2.92Å; L369-D390 HydrophobicContact CB-CB 4.49Å; L369-D390 WeakPolarHBondContact CD1-OD1 3.49Å; L369-K477 HydrophobicContact CD1-CB 4.35Å; L369-K477 HydrophobicContact CD1-CG 4.5Å; L369-R480 HydrophobicContact CD1-CB 4.08Å; L369-F481 HydrophobicContact CD2-CB 3.57Å; L369-F481 HydrophobicContact CD2-CD2 4.28Å; L369-F481 HydrophobicContact CD2-CG 4.43Å
370	A	97.4	Very high	91.9	Very high	8 Å²	8	52.5 Å²	52.5	7%	0.066	29%	0.293	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-157	159.6	-177.9	0	0	0	0	0	111.2	I388 L469 L473	A370-I388 PolarHBondContact O-N 3.48Å; A370-L469 HydrophobicContact CB-CD1 4.45Å; A370-L469 HydrophobicContact CB-CD2 4.23Å; A370-L473 HydrophobicContact CB-CD2 3.54Å
371	Y	97.2	Very high	92.1	Very high	65 Å²	65	52.6 Å²	52.6	26%	0.255	29%	0.294	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-143.5	157.4	176.8	61.5	-91.3	0	0	0	112	E351 Y354 L386 F387 L469	E351-Y371 HydrophobicContact CG-CE1 4.29Å; Y354-Y371 AromaticContact CD1-CD2 3.76Å; Y354-Y371 HydrophobicContact CD1-CD2 3.76Å; Y354-Y371 AromaticContact CD1-CE2 3.73Å; Y354-Y371 HydrophobicContact CD1-CE2 3.73Å; Y354-Y371 HydrophobicContact CD1-CG 4.43Å; Y354-Y371 HydrophobicContact CD2-CD2 4.35Å; Y354-Y371 HydrophobicContact CD2-CE1 4.41Å; Y354-Y371 AromaticContact CD2-CE2 3.49Å; Y354-Y371 HydrophobicContact CD2-CE2 3.49Å; Y354-Y371 VanDerWaalsContact CD2-CE2 3.49Å; Y354-Y371 AromaticContact CD2-CZ 3.53Å; Y354-Y371 WeakPolarHBondContact CD2-OH 3.48Å; Y354-Y371 HydrophobicContact CE1-CD2 4.05Å; Y354-Y371 AromaticContact CE1-CE2 3.91Å; Y354-Y371 HydrophobicContact CE1-CE2 3.91Å; Y354-Y371 AromaticContact CE2-CE2 3.67Å; Y354-Y371 HydrophobicContact CE2-CE2 3.67Å; Y354-Y371 AromaticContact CG-CD2 3.92Å; Y354-Y371 HydrophobicContact CG-CD2 3.92Å; Y354-Y371 HydrophobicContact CG-CE1 4.25Å; Y354-Y371 AromaticContact CG-CE2 3.51Å; Y354-Y371 HydrophobicContact CG-CE2 3.51Å; Y354-Y371 HydrophobicContact CG-CG 4.45Å; Y354-Y371 AromaticContact CG-CZ 3.69Å; Y354-Y371 AromaticContact CZ-CE2 3.87Å; Y371-L386 CarbonylContact C-O 3.49Å; Y371-L386 WeakPolarHBondContact CA-O 3.47Å; Y371-L386 WeakPolarHBondContact CB-O 3.13Å; Y371-F387 VanDerWaalsContact CB-CD1 3.48Å; Y371-F387 HydrophobicContact CG-CD1 4.42Å; Y371-F387 HydrophobicContact CG-CE1 4.19Å; Y371-L469 WeakPolarHBondContact O-CD1 3.3Å
372	T	96.8	Very high	92.4	Very high	19 Å²	19	52.2 Å²	52.2	12%	0.117	29%	0.292	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.4	117.7	168.4	178.1	0	0	0	0	109.4	F374 I385 L386 L469	T372-F374 HydrophobicContact CG2-CD1 4.39Å; T372-F374 HydrophobicContact CG2-CE1 4.39Å; T372-I385 WeakPolarHBondContact O-CA 3.42Å; T372-L386 HydrophobicContact CG2-CB 3.91Å; T372-L386 HydrophobicContact CG2-CD1 4.33Å; T372-L386 HydrophobicContact CG2-CG 4.43Å; T372-L386 PolarHBondContact N-O 2.93Å; T372-L386 PolarHBondContact O-N 3.04Å; T372-L469 HydrophobicContact CG2-CB 4.36Å; T372-L469 HydrophobicContact CG2-CD2 4Å
373	H	97.1	Very high	92.8	Very high	8 Å²	8	53.7 Å²	53.7	4%	0.037	30%	0.295	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.9	136.2	167.8	-176.5	173.6	0	0	0	107.3	I341 W342 R344 R346 Y354 S384 I385	I341-H373 PolarHBondContact O-CE1 3.39Å; W342-H373 WeakPolarHBondContact CA-NE2 3.48Å; W342-H373 PolarHBondContact O-NE2 3.03Å; R344-H373 PolarHBondContact O-CE1 3.13Å; R346-H373 HydrophobicContact CG-CB 4.27Å; R346-H373 PolarHBondContact NE-O 3.04Å; R346-H373 PolarHBondContact NH1-O 3.28Å; R346-H373 PolarHBondContact NH2-O 3.33Å; Y354-H373 HydrophobicContact CE1-CB 3.92Å; Y354-H373 AromaticContact CE1-ND1 3.77Å; Y354-H373 AromaticContact CZ-ND1 3.75Å; Y354-H373 PolarHBondContact OH-ND1 2.98Å; H373-S384 CarbonylContact C-O 3.55Å; H373-S384 WeakPolarHBondContact CA-O 3.47Å; H373-I385 HydrophobicContact CB-CG1 4.04Å; H373-I385 HydrophobicContact CB-CG2 4.49Å
374	F	96.2	Very high	93.3	Very high	1 Å²	1	44.9 Å²	44.9	0%	0.004	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-158.7	159.3	169.5	64	-81.5	0	0	0	114.8	T372 A376 F382 S384 L386 L462 K465	T372-F374 HydrophobicContact CG2-CD1 4.39Å; T372-F374 HydrophobicContact CG2-CE1 4.39Å; F374-A376 HydrophobicContact CD2-CB 4.18Å; F374-A376 HydrophobicContact CE2-CB 4.14Å; F374-F382 AromaticContact CE2-CE2 3.76Å; F374-F382 HydrophobicContact CE2-CE2 3.76Å; F374-F382 HydrophobicContact CE2-CZ 4.21Å; F374-F382 HydrophobicContact CZ-CE2 4.22Å; F374-S384 PolarHBondContact N-O 2.79Å; F374-S384 PolarHBondContact O-N 2.97Å; F374-L386 HydrophobicContact CE1-CD1 4Å; F374-L386 HydrophobicContact CE1-CG 4.19Å; F374-L386 HydrophobicContact CZ-CD1 4.43Å; F374-L462 HydrophobicContact CE2-CD2 4.44Å; F374-L462 HydrophobicContact CZ-CD2 3.67Å; F374-K465 HydrophobicContact CB-CD 4.48Å; F374-K465 HydrophobicContact CD1-CB 3.98Å; F374-K465 HydrophobicContact CD1-CD 4.33Å; F374-K465 HydrophobicContact CD1-CG 3.92Å; F374-K465 HydrophobicContact CD2-CD 4.22Å; F374-K465 HydrophobicContact CD2-CG 3.83Å; F374-K465 HydrophobicContact CE1-CB 3.65Å; F374-K465 HydrophobicContact CE1-CG 3.82Å; F374-K465 HydrophobicContact CE2-CB 4.41Å; F374-K465 HydrophobicContact CE2-CG 3.73Å; F374-K465 HydrophobicContact CG-CB 4.49Å; F374-K465 HydrophobicContact CG-CD 4.07Å; F374-K465 HydrophobicContact CG-CG 3.92Å; F374-K465 HydrophobicContact CZ-CB 3.87Å; F374-K465 HydrophobicContact CZ-CG 3.71Å
375	T	95.3	Very high	93.9	Very high	63 Å²	63	43.3 Å²	43.3	39%	0.387	25%	0.251	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.8	139.9	166.2	-51.9	0	0	0	0	108.2	F382 K383	T375-F382 CarbonylContact C-O 3.56Å; T375-F382 WeakPolarHBondContact CA-O 3.43Å; T375-K383 HydrophobicContact CG2-CG 4.09Å
376	A	94.3	Very high	94.3	Very high	11 Å²	11	37.9 Å²	37.9	9%	0.091	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127	118.6	177.5	0	0	0	0	0	110.1	F374 V380 S381 F382 K461	F374-A376 HydrophobicContact CD2-CB 4.18Å; F374-A376 HydrophobicContact CE2-CB 4.14Å; A376-V380 VanDerWaalsContact O-O 3.12Å; A376-S381 VanDerWaalsContact O-CA 3.26Å; A376-S381 WeakPolarHBondContact O-CA 3.42Å; A376-F382 HydrophobicContact CB-CD1 4.22Å; A376-F382 HydrophobicContact CB-CE1 3.81Å; A376-F382 HydrophobicContact CB-CE2 4.13Å; A376-F382 HydrophobicContact CB-CZ 3.76Å; A376-F382 PolarHBondContact N-O 2.93Å; A376-F382 PolarHBondContact O-N 3.37Å; A376-K461 HydrophobicContact CB-CD 3.77Å
377	E	90.5	Very high	94.5	Very high	151 Å²	151	34.4 Å²	34.4	71%	0.706	20%	0.2	S	C	*	.			trans	-102.1	170	-178.6	-63.2	168.4	-172.6	0	0	111.3	K461	E377-K461 PolarHBondContact O-NZ 3.08Å
378	G	86.5	Confident	94.6	Very high	68 Å²	68	32.2 Å²	32.2	70%	0.701	18%	0.181	S	C	*	.	S	Bend	trans	120.5	-135.7	179.2	0	0	0	0	0	112.1	V380	G378-V380 PolarHBondContact O-N 3.46Å
379	E	85.7	Confident	94.6	Very high	141 Å²	141	31.9 Å²	31.9	66%	0.659	18%	0.179	S	C	*	.	S	Bend	trans	-57.9	-31.1	179.5	-173.9	-179.1	174.3	0	0	113.4	L454	E379-L454 HydrophobicContact CG-CD2 4.41Å
380	V	88.3	Confident	94.5	Very high	5 Å²	5	33 Å²	33	3%	0.03	19%	0.185	C	C	.	.	S	Bend	trans	-133.4	126.4	170	-176	0	0	0	0	107.5	A376 G378 F382 L440 L454 I458 K461	A376-V380 VanDerWaalsContact O-O 3.12Å; G378-V380 PolarHBondContact O-N 3.46Å; V380-F382 HydrophobicContact CB-CD1 4.46Å; V380-F382 HydrophobicContact CG1-CD1 3.99Å; V380-L440 HydrophobicContact CG1-CD2 4.02Å; V380-L454 HydrophobicContact CG2-CB 3.85Å; V380-L454 HydrophobicContact CG2-CD1 4.37Å; V380-L454 HydrophobicContact CG2-CD2 3.62Å; V380-L454 HydrophobicContact CG2-CG 4.12Å; V380-I458 HydrophobicContact CG1-CD1 4.24Å; V380-I458 HydrophobicContact CG1-CG1 4.18Å; V380-K461 PolarHBondContact O-NZ 3.05Å
381	S	92	Very high	94.4	Very high	44 Å²	44	37.8 Å²	37.8	31%	0.308	21%	0.205	S	C	.	.			trans	-93.9	121.8	171.1	-170	0	0	0	0	110.1	A376 S437 D439	A376-S381 VanDerWaalsContact O-CA 3.26Å; A376-S381 WeakPolarHBondContact O-CA 3.42Å; S381-S437 PolarHBondContact O-OG 2.81Å; S381-D439 WeakPolarHBondContact CB-OD2 3.4Å
382	F	94.4	Very high	94.2	Very high	3 Å²	3	36 Å²	36	1%	0.013	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-151.7	156.9	175.9	66.8	-92.1	0	0	0	112.2	F374 T375 A376 V380 V435 D436 I458 K461 L462	F374-F382 AromaticContact CE2-CE2 3.76Å; F374-F382 HydrophobicContact CE2-CE2 3.76Å; F374-F382 HydrophobicContact CE2-CZ 4.21Å; F374-F382 HydrophobicContact CZ-CE2 4.22Å; T375-F382 CarbonylContact C-O 3.56Å; T375-F382 WeakPolarHBondContact CA-O 3.43Å; A376-F382 HydrophobicContact CB-CD1 4.22Å; A376-F382 HydrophobicContact CB-CE1 3.81Å; A376-F382 HydrophobicContact CB-CE2 4.13Å; A376-F382 HydrophobicContact CB-CZ 3.76Å; A376-F382 PolarHBondContact N-O 2.93Å; A376-F382 PolarHBondContact O-N 3.37Å; V380-F382 HydrophobicContact CB-CD1 4.46Å; V380-F382 HydrophobicContact CG1-CD1 3.99Å; F382-V435 HydrophobicContact CB-CG1 4.14Å; F382-V435 HydrophobicContact CD2-CG1 3.73Å; F382-V435 HydrophobicContact CE2-CG1 4.32Å; F382-V435 HydrophobicContact CG-CG1 4.04Å; F382-D436 CarbonylContact C-O 3.53Å; F382-D436 VanDerWaalsContact CA-O 3.3Å; F382-D436 WeakPolarHBondContact CA-O 3.44Å; F382-D436 WeakPolarHBondContact CB-O 3.47Å; F382-I458 HydrophobicContact CD1-CG1 4.02Å; F382-I458 HydrophobicContact CE1-CB 4.22Å; F382-I458 HydrophobicContact CE1-CG1 3.79Å; F382-I458 HydrophobicContact CE1-CG2 4.19Å; F382-I458 HydrophobicContact CE2-CG2 4.39Å; F382-I458 HydrophobicContact CZ-CB 4.43Å; F382-I458 HydrophobicContact CZ-CG1 4.43Å; F382-I458 HydrophobicContact CZ-CG2 3.98Å; F382-K461 HydrophobicContact CE1-CB 4.32Å; F382-K461 HydrophobicContact CE1-CD 3.57Å; F382-K461 HydrophobicContact CZ-CB 3.85Å; F382-K461 HydrophobicContact CZ-CD 3.94Å; F382-L462 HydrophobicContact CE2-CD2 3.76Å; F382-L462 HydrophobicContact CZ-CD2 4.09Å
383	K	96.1	Very high	93.7	Very high	65 Å²	65	37.9 Å²	37.9	28%	0.283	22%	0.216	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.7	143.7	170.9	-55.2	-171.5	-170	-170.4	0	109	W342 L343 T375 D436	W342-K383 WeakPolarHBondContact O-CD 3.49Å; L343-K383 HydrophobicContact CD2-CD 4.11Å; T375-K383 HydrophobicContact CG2-CG 4.09Å; K383-D436 PolarHBondContact N-O 2.96Å; K383-D436 PolarHBondContact O-N 2.93Å
384	S	96.5	Very high	93.2	Very high	0 Å²	0	44 Å²	44	0%	0	26%	0.259	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-150.7	146.9	-175.6	-179.5	0	0	0	0	111.6	H373 F374 I434	H373-S384 CarbonylContact C-O 3.55Å; H373-S384 WeakPolarHBondContact CA-O 3.47Å; F374-S384 PolarHBondContact N-O 2.79Å; F374-S384 PolarHBondContact O-N 2.97Å; S384-I434 WeakPolarHBondContact CA-O 3.45Å; S384-I434 WeakPolarHBondContact CB-O 3.46Å; S384-I434 PolarHBondContact OG-O 2.94Å
385	I	97.4	Very high	92.7	Very high	0 Å²	0	46.9 Å²	46.9	0%	0	28%	0.275	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126	125.5	164.4	-51.5	173.4	0	0	0	107.3	I341 W342 Y354 T372 H373 F387 G433 I434	I341-I385 HydrophobicContact CD1-CD1 3.69Å; I341-I385 HydrophobicContact CG1-CD1 3.59Å; W342-I385 HydrophobicContact CB-CD1 3.74Å; W342-I385 HydrophobicContact CB-CG1 3.86Å; Y354-I385 HydrophobicContact CD1-CD1 4.39Å; Y354-I385 HydrophobicContact CD1-CG2 4.31Å; Y354-I385 HydrophobicContact CE1-CD1 4.03Å; Y354-I385 HydrophobicContact CE1-CG2 4.39Å; T372-I385 WeakPolarHBondContact O-CA 3.42Å; H373-I385 HydrophobicContact CB-CG1 4.04Å; H373-I385 HydrophobicContact CB-CG2 4.49Å; I385-F387 HydrophobicContact CB-CE2 3.98Å; I385-F387 HydrophobicContact CB-CZ 4.34Å; I385-F387 HydrophobicContact CG2-CD2 4.1Å; I385-F387 HydrophobicContact CG2-CE1 4.1Å; I385-F387 HydrophobicContact CG2-CE2 3.34Å; I385-F387 HydrophobicContact CG2-CZ 3.34Å; I385-G433 WeakPolarHBondContact O-CA 3.18Å; I385-I434 HydrophobicContact CB-CG1 4.33Å; I385-I434 PolarHBondContact N-O 3.42Å; I385-I434 PolarHBondContact O-N 3.29Å
386	L	97.4	Very high	92.3	Very high	0 Å²	0	44.8 Å²	44.8	0%	0	26%	0.261	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.4	141.1	175.5	-55.3	177.7	0	0	0	109.3	Y371 T372 F374 I407 V431 K432 L462	Y371-L386 CarbonylContact C-O 3.49Å; Y371-L386 WeakPolarHBondContact CA-O 3.47Å; Y371-L386 WeakPolarHBondContact CB-O 3.13Å; T372-L386 HydrophobicContact CG2-CB 3.91Å; T372-L386 HydrophobicContact CG2-CD1 4.33Å; T372-L386 HydrophobicContact CG2-CG 4.43Å; T372-L386 PolarHBondContact N-O 2.93Å; T372-L386 PolarHBondContact O-N 3.04Å; F374-L386 HydrophobicContact CE1-CD1 4Å; F374-L386 HydrophobicContact CE1-CG 4.19Å; F374-L386 HydrophobicContact CZ-CD1 4.43Å; L386-I407 HydrophobicContact CD2-CD1 3.81Å; L386-V431 HydrophobicContact CB-CG1 4.1Å; L386-V431 HydrophobicContact CD2-CG1 4.42Å; L386-K432 CarbonylContact C-O 3.6Å; L386-L462 HydrophobicContact CD1-CB 4.18Å; L386-L462 HydrophobicContact CD1-CD2 4.29Å; L386-L462 HydrophobicContact CD2-CD2 4.4Å
387	F	97.6	Very high	91.8	Very high	0 Å²	0	49.2 Å²	49.2	0%	0	28%	0.276	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.3	140.5	-177.7	-63.3	-87.8	0	0	0	110.2	Y354 F357 Y358 L361 P368 Y371 I385 K432	Y354-F387 HydrophobicContact CD1-CZ 4.47Å; F357-F387 AromaticContact CD1-CE2 3.82Å; F357-F387 HydrophobicContact CD1-CE2 3.82Å; F357-F387 AromaticContact CD1-CZ 3.72Å; F357-F387 HydrophobicContact CD1-CZ 3.72Å; F357-F387 AromaticContact CE1-CE2 3.95Å; F357-F387 HydrophobicContact CE1-CE2 3.95Å; F357-F387 HydrophobicContact CE1-CZ 4.3Å; Y358-F387 HydrophobicContact CD2-CB 3.51Å; Y358-F387 AromaticContact CD2-CD1 3.69Å; Y358-F387 HydrophobicContact CD2-CD1 3.69Å; Y358-F387 HydrophobicContact CD2-CD2 4.05Å; Y358-F387 HydrophobicContact CD2-CE1 4.41Å; Y358-F387 AromaticContact CD2-CG 3.49Å; Y358-F387 HydrophobicContact CD2-CG 3.49Å; Y358-F387 VanDerWaalsContact CD2-CG 3.49Å; Y358-F387 HydrophobicContact CE2-CB 3.7Å; Y358-F387 HydrophobicContact CE2-CG 4.21Å; Y358-F387 HydrophobicContact CG-CD1 4.12Å; Y358-F387 HydrophobicContact CG-CG 4.34Å; L361-F387 HydrophobicContact CD2-CD2 4.42Å; L361-F387 HydrophobicContact CD2-CE2 4.4Å; P368-F387 HydrophobicContact CB-CB 4.29Å; P368-F387 HydrophobicContact CB-CD1 3.84Å; P368-F387 HydrophobicContact CG-CD1 3.79Å; P368-F387 HydrophobicContact CG-CE1 4.26Å; Y371-F387 VanDerWaalsContact CB-CD1 3.48Å; Y371-F387 HydrophobicContact CG-CD1 4.42Å; Y371-F387 HydrophobicContact CG-CE1 4.19Å; I385-F387 HydrophobicContact CB-CE2 3.98Å; I385-F387 HydrophobicContact CB-CZ 4.34Å; I385-F387 HydrophobicContact CG2-CD2 4.1Å; I385-F387 HydrophobicContact CG2-CE1 4.1Å; I385-F387 HydrophobicContact CG2-CE2 3.34Å; I385-F387 HydrophobicContact CG2-CZ 3.34Å; F387-K432 HydrophobicContact CB-CB 4.39Å; F387-K432 PolarHBondContact N-O 3.5Å; F387-K432 PolarHBondContact O-N 3.37Å
388	I	97.4	Very high	91.3	Very high	0 Å²	0	52.3 Å²	52.3	0%	0	28%	0.281	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.4	116.4	169.1	-60.4	175.6	0	0	0	106.5	L369 A370 F430 L466 L469 L470 F481 Y485	L369-I388 HydrophobicContact CB-CG2 4.39Å; L369-I388 HydrophobicContact CD2-CG2 4.26Å; L369-I388 PolarHBondContact N-O 2.92Å; A370-I388 PolarHBondContact O-N 3.48Å; I388-F430 HydrophobicContact CG2-CE2 4.22Å; I388-L466 HydrophobicContact CD1-CD1 4.04Å; I388-L466 HydrophobicContact CG1-CD1 3.99Å; I388-L469 HydrophobicContact CD1-CD2 3.92Å; I388-L469 HydrophobicContact CG1-CD2 4.43Å; I388-L470 HydrophobicContact CD1-CD2 3.52Å; I388-L470 HydrophobicContact CD1-CG 4.4Å; I388-F481 HydrophobicContact CD1-CD2 4.45Å; I388-F481 HydrophobicContact CD1-CE2 4.38Å; I388-F481 HydrophobicContact CG2-CD2 3.95Å; I388-F481 HydrophobicContact CG2-CE2 4.21Å; I388-Y485 HydrophobicContact CG2-CD2 4.27Å; I388-Y485 HydrophobicContact CG2-CE2 3.86Å
389	P	96.2	Very high	90.5	Very high	11 Å²	11	52.5 Å²	52.5	7%	0.071	27%	0.266	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-59.1	153.4	174	-20.7	32.5	0	0	0	111.5	Y358 F430 K432 Y485	Y358-P389 WeakPolarHBondContact OH-CA 3.34Å; Y358-P389 WeakPolarHBondContact OH-CB 3.41Å; P389-F430 WeakPolarHBondContact CD-O 3.38Å; P389-F430 WeakPolarHBondContact CG-O 3.16Å; P389-K432 HydrophobicContact CG-CG 3.97Å; P389-Y485 WeakPolarHBondContact CB-OH 3.42Å; P389-Y485 WeakPolarHBondContact O-CE2 3.49Å; P389-Y485 PolarHBondContact O-OH 3.42Å
390	D	95.3	Very high	90	Very high	31 Å²	31	48.9 Å²	48.9	17%	0.166	25%	0.247	C	C	.	.	S	Bend	trans	-73.3	-29.4	179.3	-168.2	53.1	0	0	0	113.8	L369 R480	L369-D390 HydrophobicContact CB-CB 4.49Å; L369-D390 WeakPolarHBondContact CD1-OD1 3.49Å; D390-R480 IonicContact OD1-CZ 3.85Å; D390-R480 VanDerWaalsContact OD1-CZ 3.3Å; D390-R480 IonicContact OD1-NE 3.78Å; D390-R480 PolarHBondContact OD1-NE 2.84Å; D390-R480 IonicContact OD1-NH2 3.14Å; D390-R480 PolarHBondContact OD1-NH2 3.42Å; D390-R480 IonicContact OD2-CZ 2.68Å; D390-R480 IonicContact OD2-NH2 3.3Å; D390-R480 PolarHBondContact OD2-NH2 3.02Å
391	K	93.8	Very high	89.1	Confident	108 Å²	108	53.2 Å²	53.2	47%	0.47	28%	0.278	S	S	.	.	S	Bend	trans	-125.2	142.8	177.6	-65.8	177	-171.9	153.9	0	110.8	E366 Y485	E366-K391 IonicContact OE1-NZ 3.61Å; E366-K391 PolarHBondContact OE1-NZ 2.93Å; K391-Y485 VanDerWaalsContact C-OH 3.26Å; K391-Y485 PolarHBondContact O-OH 2.87Å
392	A	92.8	Very high	88.1	Confident	28 Å²	28	58.3 Å²	58.3	23%	0.231	29%	0.29	C	S	.	.			trans	-65.4	135.5	170.3	0	0	0	0	0	110	L396 E484 Y485	A392-L396 HydrophobicContact CB-CD2 3.92Å; A392-E484 HydrophobicContact CB-CB 4.33Å; A392-E484 PolarHBondContact N-OE2 3.46Å; A392-Y485 HydrophobicContact CB-CD1 4.35Å; A392-Y485 HydrophobicContact CB-CE1 3.78Å; A392-Y485 PolarHBondContact N-OH 3.3Å
393	P	87.7	Confident	86.9	Confident	58 Å²	58	63.1 Å²	63.1	38%	0.377	31%	0.311	S	S	.	.			trans	-65.4	142.9	171.8	29.4	-33.5	0	0	0	109.4	D395 L396	P393-D395 WeakPolarHBondContact CB-OD1 3.31Å; P393-D395 PolarHBondContact O-N 3.19Å; P393-L396 HydrophobicContact CG-CB 4.09Å; P393-L396 HydrophobicContact CG-CD1 4.41Å; P393-L396 VanDerWaalsContact O-CB 3.27Å; P393-L396 WeakPolarHBondContact O-CB 3.26Å; P393-L396 PolarHBondContact O-N 3.15Å
394	S	86.3	Confident	85.9	Confident	135 Å²	135	62.7 Å²	62.7	94%	0.944	31%	0.314	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.2	-22.3	-174.5	55	0	0	0	0	113.9
395	D	86.3	Confident	85.3	Confident	63 Å²	63	68 Å²	68	34%	0.337	34%	0.339	S	S	.	.	T	Hydrogen-bonded Turn	trans	-95.2	4.5	179.5	68.7	-26.7	0	0	0	114.2	P393 Y397 R398 R402	P393-D395 WeakPolarHBondContact CB-OD1 3.31Å; P393-D395 PolarHBondContact O-N 3.19Å; D395-Y397 PolarHBondContact O-N 3.14Å; D395-R398 HydrophobicContact CB-CB 4.48Å; D395-R398 PolarHBondContact O-N 2.95Å; D395-R402 IonicContact OD2-NH1 3.39Å
396	L	86	Confident	84.9	Confident	19 Å²	19	69.4 Å²	69.4	10%	0.099	35%	0.346	C	S	.	.	T	Hydrogen-bonded Turn	trans	-48	-39.8	-174.2	-178.1	60.3	0	0	0	113.8	A392 P393 F430 Y485	A392-L396 HydrophobicContact CB-CD2 3.92Å; P393-L396 HydrophobicContact CG-CB 4.09Å; P393-L396 HydrophobicContact CG-CD1 4.41Å; P393-L396 VanDerWaalsContact O-CB 3.27Å; P393-L396 WeakPolarHBondContact O-CB 3.26Å; P393-L396 PolarHBondContact O-N 3.15Å; L396-F430 HydrophobicContact CD1-CB 3.92Å; L396-Y485 HydrophobicContact CD2-CD1 4.05Å; L396-Y485 HydrophobicContact CD2-CE1 4.13Å
397	Y	84.6	Confident	84.7	Confident	103 Å²	103	69.9 Å²	69.9	40%	0.404	35%	0.349	S	S	.	.	T	Hydrogen-bonded Turn	trans	-107.8	-6.1	-177.8	-56	-65.5	0	0	0	114.2	D395 D399 A488	D395-Y397 PolarHBondContact O-N 3.14Å; Y397-D399 PolarHBondContact O-N 3.33Å; Y397-A488 PolarHBondContact OH-N 3.18Å
398	R	78.4	Confident	84.3	Confident	216 Å²	216	71.8 Å²	71.8	82%	0.815	36%	0.357	S	S	*	.	T	Hydrogen-bonded Turn	trans	-68.3	-38.1	-174	-167.2	179.2	81.5	177.4	4.8	111.9	D395	D395-R398 HydrophobicContact CB-CB 4.48Å; D395-R398 PolarHBondContact O-N 2.95Å
399	D	69.5	Low	84.1	Confident	72 Å²	72	71.8 Å²	71.8	39%	0.385	36%	0.357	S	S	.	.	T	Hydrogen-bonded Turn	trans	-132.3	74	179.2	-168.2	-6.8	0	0	0	109.4	Y397 S401 R402	Y397-D399 PolarHBondContact O-N 3.33Å; D399-S401 PolarHBondContact O-N 3.25Å; D399-S401 WeakPolarHBondContact OD1-CB 3.37Å; D399-S401 PolarHBondContact OD1-N 3.27Å; D399-S401 PolarHBondContact OD1-OG 3.26Å; D399-R402 HydrophobicContact CB-CB 3.92Å; D399-R402 VanDerWaalsContact O-CB 3.27Å; D399-R402 WeakPolarHBondContact O-CB 3.49Å; D399-R402 PolarHBondContact O-N 3.03Å; D399-R402 PolarHBondContact OD1-N 3.04Å; D399-R402 VanDerWaalsContact OD1-N 3.09Å
400	Y	75.7	Confident	83.8	Confident	65 Å²	65	71.3 Å²	71.3	26%	0.255	35%	0.354	S	S	.	.	T	Hydrogen-bonded Turn	trans	-63.9	-7.6	176.6	-159	-109	0	0	0	112.9	K426 Y427 M491 E495	Y400-K426 HydrophobicContact CD1-CD 3.89Å; Y400-K426 HydrophobicContact CE1-CB 3.85Å; Y400-K426 HydrophobicContact CE1-CD 3.55Å; Y400-K426 HydrophobicContact CE1-CG 4.38Å; Y400-K426 HydrophobicContact CE2-CB 3.98Å; Y400-K426 VanDerWaalsContact CZ-CB 3.45Å; Y400-K426 PolarHBondContact O-NZ 3.17Å; Y400-K426 VanDerWaalsContact OH-CB 3.31Å; Y400-K426 WeakPolarHBondContact OH-CB 3.31Å; Y400-Y427 PolarHBondContact OH-N 3.48Å; Y400-M491 HydrophobicContact CE1-CE 4.49Å; Y400-E495 WeakPolarHBondContact CE1-OE1 2.91Å; Y400-E495 VanDerWaalsContact CZ-OE1 3.25Å; Y400-E495 PolarHBondContact OH-OE1 2.89Å; Y400-E495 PolarHBondContact OH-OE2 3.09Å
401	S	70.1	Confident	83.5	Confident	96 Å²	96	70.1 Å²	70.1	67%	0.671	35%	0.348	S	S	*	.	T	Hydrogen-bonded Turn	trans	-88.4	-17.4	169.4	30.6	0	0	0	0	114	D399	D399-S401 PolarHBondContact O-N 3.25Å; D399-S401 WeakPolarHBondContact OD1-CB 3.37Å; D399-S401 PolarHBondContact OD1-N 3.27Å; D399-S401 PolarHBondContact OD1-OG 3.26Å
402	R	70	Confident	83	Confident	152 Å²	152	67.8 Å²	67.8	57%	0.574	34%	0.336	S	S	*	.	S	Bend	trans	-65.3	137.9	-174.5	-159.1	174.3	174.4	-172.3	0.5	111.5	D395 D399 T404	D395-R402 IonicContact OD2-NH1 3.39Å; D399-R402 HydrophobicContact CB-CB 3.92Å; D399-R402 VanDerWaalsContact O-CB 3.27Å; D399-R402 WeakPolarHBondContact O-CB 3.49Å; D399-R402 PolarHBondContact O-N 3.03Å; D399-R402 PolarHBondContact OD1-N 3.04Å; D399-R402 VanDerWaalsContact OD1-N 3.09Å; R402-T404 PolarHBondContact O-N 3.3Å
403	K	69	Low	82.7	Confident	103 Å²	103	67.8 Å²	67.8	45%	0.448	33%	0.33	S	S	.	.	P	Polyproline II helix	trans	-67.7	131.2	167.6	-54.2	-169.2	-166.4	-162.8	0	109.3	D419 E421	K403-D419 VanDerWaalsContact CD-OD1 3.26Å; K403-D419 WeakPolarHBondContact CD-OD1 3.38Å; K403-E421 HydrophobicContact CD-CG 3.75Å; K403-E421 WeakPolarHBondContact CE-OE1 3.44Å; K403-E421 HydrophobicContact CG-CG 4.1Å; K403-E421 IonicContact NZ-OE1 2.74Å; K403-E421 PolarHBondContact NZ-OE1 3.14Å
404	T	75.4	Confident	82.6	Confident	57 Å²	57	65.2 Å²	65.2	35%	0.35	31%	0.313	S	S	.	.	P	Polyproline II helix	trans	-102.4	126	177.5	55.4	0	0	0	0	111.3	R402 N406	R402-T404 PolarHBondContact O-N 3.3Å; T404-N406 PolarHBondContact O-N 3.47Å
405	Q	83.4	Confident	82.7	Confident	110 Å²	110	59.2 Å²	59.2	51%	0.514	27%	0.27	S	S	.	.			trans	-90.2	38.3	178.2	-68.7	174.5	-41.1	0	0	112.4	D418	Q405-D418 WeakPolarHBondContact CA-O 3.49Å; Q405-D418 HydrophobicContact CB-CB 3.95Å; Q405-D418 HydrophobicContact CG-CB 4.33Å; Q405-D418 PolarHBondContact NE2-OD1 3.44Å
406	N	89.5	Confident	82.8	Confident	30 Å²	30	56.5 Å²	56.5	16%	0.16	26%	0.256	C	S	.	.			trans	-89.1	-21.3	-165.5	-70.9	-13.7	0	0	0	113.5	T404 S429 V431 K432 G433	T404-N406 PolarHBondContact O-N 3.47Å; N406-S429 PolarHBondContact ND2-O 3.27Å; N406-V431 VanDerWaalsContact CB-O 3.22Å; N406-V431 WeakPolarHBondContact CB-O 3.34Å; N406-K432 HydrophobicContact CB-CD 3.87Å; N406-K432 CarbonylContact O-C 3.51Å; N406-K432 VanDerWaalsContact O-CA 3.3Å; N406-K432 WeakPolarHBondContact O-CA 3.39Å; N406-K432 WeakPolarHBondContact OD1-CE 3.44Å; N406-K432 PolarHBondContact OD1-NZ 3.25Å; N406-G433 PolarHBondContact O-N 2.88Å
407	I	92.6	Very high	82.7	Confident	10 Å²	10	56.5 Å²	56.5	5%	0.051	26%	0.257	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111	117.4	174.3	-54.8	-57.5	0	0	0	108.6	L386 F423 M424 V431 G433 V435	L386-I407 HydrophobicContact CD2-CD1 3.81Å; I407-F423 HydrophobicContact CB-CB 4.47Å; I407-F423 HydrophobicContact CG2-CD1 3.95Å; I407-M424 HydrophobicContact CD1-CG 4.47Å; I407-M424 HydrophobicContact CG1-CG 3.84Å; I407-V431 HydrophobicContact CD1-CG1 4.27Å; I407-V431 WeakPolarHBondContact CD1-O 3.37Å; I407-G433 WeakPolarHBondContact CA-O 3.38Å; I407-V435 HydrophobicContact CG2-CG2 3.84Å
408	K	91.3	Very high	82.7	Confident	41 Å²	41	53.2 Å²	53.2	18%	0.178	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.3	127	176.7	-61.4	-171.4	-172.6	177.6	0	110.3	L361 Y410 F415 D418 G433 I434 V435	L361-K408 HydrophobicContact CD1-CD 3.83Å; K408-Y410 HydrophobicContact CB-CD2 4.29Å; K408-Y410 HydrophobicContact CB-CE2 3.56Å; K408-Y410 HydrophobicContact CD-CE2 4.42Å; K408-F415 HydrophobicContact CB-CD2 4.19Å; K408-F415 HydrophobicContact CB-CE2 3.84Å; K408-F415 HydrophobicContact CD-CD2 4.49Å; K408-F415 HydrophobicContact CD-CE2 4.12Å; K408-F415 HydrophobicContact CG-CE2 3.99Å; K408-D418 HydrophobicContact CG-CB 4.31Å; K408-G433 PolarHBondContact N-O 2.85Å; K408-I434 HydrophobicContact CB-CG2 4.36Å; K408-I434 CarbonylContact O-C 3.55Å; K408-I434 VanDerWaalsContact O-CA 3.32Å; K408-I434 WeakPolarHBondContact O-CA 3.34Å; K408-V435 PolarHBondContact O-N 3.01Å
409	L	91.5	Very high	82.6	Confident	0 Å²	0	46.3 Å²	46.3	0%	0	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.3	127.8	174.6	-177.4	66.2	0	0	0	110.4	I416 S417 F420 F423 V435 L440 L449	L409-I416 HydrophobicContact CD2-CB 4.42Å; L409-I416 HydrophobicContact CD2-CG2 4.44Å; L409-I416 HydrophobicContact CG-CB 4.48Å; L409-I416 PolarHBondContact O-N 2.78Å; L409-S417 WeakPolarHBondContact CB-O 3.42Å; L409-S417 PolarHBondContact N-O 3.06Å; L409-F420 HydrophobicContact CB-CD2 4.43Å; L409-F420 HydrophobicContact CB-CE2 3.65Å; L409-F420 HydrophobicContact CB-CZ 4.39Å; L409-F420 HydrophobicContact CD2-CE2 3.62Å; L409-F420 HydrophobicContact CD2-CZ 3.51Å; L409-F420 HydrophobicContact CG-CE2 4.29Å; L409-F423 HydrophobicContact CB-CZ 4.32Å; L409-F423 HydrophobicContact CD1-CE1 4.14Å; L409-F423 HydrophobicContact CD1-CZ 3.87Å; L409-F423 HydrophobicContact CD2-CZ 4.04Å; L409-F423 HydrophobicContact CG-CZ 4.3Å; L409-V435 CarbonylContact C-O 3.6Å; L409-V435 WeakPolarHBondContact CA-O 3.27Å; L409-V435 HydrophobicContact CD1-CB 4.02Å; L409-V435 HydrophobicContact CD1-CG1 3.88Å; L409-L440 HydrophobicContact CD1-CD1 3.86Å; L409-L440 HydrophobicContact CD2-CD1 4.3Å; L409-L449 HydrophobicContact CD2-CD1 3.78Å; L409-L449 HydrophobicContact CD2-CD2 4.13Å; L409-L449 HydrophobicContact CD2-CG 4.03Å
410	Y	91.1	Very high	82.6	Confident	0 Å²	0	44.2 Å²	44.2	0%	0	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.3	146.2	171.5	-66.5	-95.6	0	0	0	109.5	F277 K408 R413 V414 F415 I434 V435 D436 S437	F277-Y410 HydrophobicContact CD2-CD1 4.31Å; F277-Y410 AromaticContact CD2-CE1 3.58Å; F277-Y410 HydrophobicContact CD2-CE1 3.58Å; F277-Y410 AromaticContact CD2-CZ 3.74Å; F277-Y410 HydrophobicContact CE2-CE1 4.1Å; F277-Y410 HydrophobicContact CE2-CE2 4.42Å; F277-Y410 AromaticContact CE2-CZ 3.75Å; F277-Y410 WeakPolarHBondContact CE2-OH 3.46Å; K408-Y410 HydrophobicContact CB-CD2 4.29Å; K408-Y410 HydrophobicContact CB-CE2 3.56Å; K408-Y410 HydrophobicContact CD-CE2 4.42Å; Y410-R413 WeakPolarHBondContact CD1-O 3.11Å; Y410-V414 CarbonylContact C-O 3.53Å; Y410-V414 VanDerWaalsContact CA-O 3.23Å; Y410-V414 WeakPolarHBondContact CA-O 3.26Å; Y410-F415 HydrophobicContact CD1-CB 4.06Å; Y410-F415 HydrophobicContact CE1-CB 3.58Å; Y410-F415 HydrophobicContact CE1-CD2 4.12Å; Y410-F415 HydrophobicContact CE1-CG 4.34Å; Y410-F415 HydrophobicContact CE2-CD2 4.22Å; Y410-F415 AromaticContact CZ-CD2 3.83Å; Y410-I434 HydrophobicContact CD2-CB 4.37Å; Y410-I434 HydrophobicContact CD2-CG2 4.4Å; Y410-I434 HydrophobicContact CE2-CB 4.39Å; Y410-I434 HydrophobicContact CE2-CG2 3.93Å; Y410-V435 PolarHBondContact N-O 3.42Å; Y410-D436 WeakPolarHBondContact CB-OD1 3.08Å; Y410-D436 WeakPolarHBondContact O-CA 3.18Å; Y410-S437 PolarHBondContact O-N 3.03Å
411	V	88.1	Confident	82.2	Confident	7 Å²	7	47.7 Å²	47.7	4%	0.042	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.3	120.7	166.2	170.8	0	0	0	0	107.3	R413 V414 I416 S437 L440 L442	V411-R413 VanDerWaalsContact C-N 3.26Å; V411-R413 PolarHBondContact O-N 3Å; V411-V414 PolarHBondContact N-O 3.08Å; V411-V414 PolarHBondContact O-N 3.3Å; V411-I416 HydrophobicContact CB-CD1 4.12Å; V411-I416 HydrophobicContact CB-CG1 3.92Å; V411-I416 HydrophobicContact CG2-CD1 4.47Å; V411-I416 HydrophobicContact CG2-CG1 3.85Å; V411-S437 WeakPolarHBondContact CA-O 3.36Å; V411-S437 WeakPolarHBondContact CG1-O 3.39Å; V411-L440 HydrophobicContact CG2-CB 3.85Å; V411-L440 HydrophobicContact CG2-CD1 4.11Å; V411-L442 HydrophobicContact CB-CD1 4.18Å; V411-L442 HydrophobicContact CB-CD2 4.2Å; V411-L442 HydrophobicContact CB-CG 4.46Å; V411-L442 HydrophobicContact CG1-CD1 3.96Å; V411-L442 HydrophobicContact CG1-CD2 4.43Å; V411-L442 HydrophobicContact CG1-CG 4.2Å; V411-L442 HydrophobicContact CG2-CD2 3.8Å; V411-L442 HydrophobicContact CG2-CG 4.45Å
412	R	83.9	Confident	82.3	Confident	59 Å²	59	46.4 Å²	46.4	22%	0.223	22%	0.218	C	C	.	.	T	Hydrogen-bonded Turn	trans	52.4	45.4	-174.3	-58.6	172.8	176.7	-107.8	-18	111.7	Q191 L193 V414 D436 S437 D438	Q191-R412 PolarHBondContact O-NH1 3.31Å; L193-R412 WeakPolarHBondContact O-CD 2.97Å; L193-R412 PolarHBondContact O-NH1 3.48Å; R412-V414 PolarHBondContact O-N 3.4Å; R412-V414 VanDerWaalsContact O-N 3.11Å; R412-D436 PolarHBondContact N-OD1 3.39Å; R412-S437 PolarHBondContact N-O 2.84Å; R412-D438 PolarHBondContact NE-O 3.36Å; R412-D438 PolarHBondContact NH2-O 3.17Å
413	R	86.8	Confident	82.9	Confident	28 Å²	28	39.5 Å²	39.5	11%	0.106	19%	0.192	C	C	.	.	T	Hydrogen-bonded Turn	trans	63.6	4.5	-176.3	-57.9	168.3	-84.3	-94.9	-6.7	116.4	D192 F277 W342 L343 Y410 V411 D436	D192-R413 VanDerWaalsContact CB-NH2 3.28Å; D192-R413 IonicContact OD1-CZ 2.8Å; D192-R413 IonicContact OD1-NH1 2.64Å; D192-R413 IonicContact OD1-NH2 3.92Å; D192-R413 PolarHBondContact OD1-NH2 3.1Å; D192-R413 IonicContact OD2-NH2 3.08Å; D192-R413 PolarHBondContact OD2-NH2 3.08Å; F277-R413 HydrophobicContact CB-CB 4.26Å; F277-R413 WeakPolarHBondContact O-CB 3.41Å; F277-R413 WeakPolarHBondContact O-CD 3.42Å; W342-R413 HydrophobicContact CZ2-CG 4.48Å; L343-R413 HydrophobicContact CD1-CG 4Å; Y410-R413 WeakPolarHBondContact CD1-O 3.11Å; V411-R413 VanDerWaalsContact C-N 3.26Å; V411-R413 PolarHBondContact O-N 3Å; R413-D436 PolarHBondContact N-OD1 3.18Å; R413-D436 VanDerWaalsContact N-OD1 3.15Å
414	V	84.6	Confident	83.9	Confident	4 Å²	4	35.5 Å²	35.5	2%	0.024	18%	0.175	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.2	129.8	174.7	-178.3	0	0	0	0	109.7	R110 I194 Y410 V411 R412 I416	R110-V414 HydrophobicContact CG-CG1 4.11Å; I194-V414 HydrophobicContact CD1-CG2 3.52Å; I194-V414 HydrophobicContact CG1-CG2 3.91Å; I194-V414 HydrophobicContact CG2-CG2 4Å; Y410-V414 CarbonylContact C-O 3.53Å; Y410-V414 VanDerWaalsContact CA-O 3.23Å; Y410-V414 WeakPolarHBondContact CA-O 3.26Å; V411-V414 PolarHBondContact N-O 3.08Å; V411-V414 PolarHBondContact O-N 3.3Å; R412-V414 PolarHBondContact O-N 3.4Å; R412-V414 VanDerWaalsContact O-N 3.11Å; V414-I416 PolarHBondContact O-N 3.03Å
415	F	89.1	Confident	84.6	Confident	8 Å²	8	33.6 Å²	33.6	4%	0.035	16%	0.163	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-66.2	127.6	177.4	179.1	-107.6	0	0	0	110.6	K273 Y274 K408 Y410 D418	K273-F415 WeakPolarHBondContact O-CB 3.36Å; Y274-F415 HydrophobicContact CD1-CB 4.46Å; Y274-F415 AromaticContact CD1-CD1 3.71Å; Y274-F415 HydrophobicContact CD1-CD1 3.71Å; Y274-F415 AromaticContact CE1-CD1 3.77Å; Y274-F415 HydrophobicContact CE1-CD1 3.77Å; Y274-F415 HydrophobicContact CE1-CE1 4.2Å; Y274-F415 PolarHBondContact O-N 3.24Å; K408-F415 HydrophobicContact CB-CD2 4.19Å; K408-F415 HydrophobicContact CB-CE2 3.84Å; K408-F415 HydrophobicContact CD-CD2 4.49Å; K408-F415 HydrophobicContact CD-CE2 4.12Å; K408-F415 HydrophobicContact CG-CE2 3.99Å; Y410-F415 HydrophobicContact CD1-CB 4.06Å; Y410-F415 HydrophobicContact CE1-CB 3.58Å; Y410-F415 HydrophobicContact CE1-CD2 4.12Å; Y410-F415 HydrophobicContact CE1-CG 4.34Å; Y410-F415 HydrophobicContact CE2-CD2 4.22Å; Y410-F415 AromaticContact CZ-CD2 3.83Å; F415-D418 HydrophobicContact CE2-CB 4.2Å; F415-D418 HydrophobicContact CZ-CB 4.02Å
416	I	87.4	Confident	84.9	Confident	7 Å²	7	33.3 Å²	33.3	4%	0.036	16%	0.16	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.3	-61.7	178.8	-57.2	-55.3	0	0	0	109.9	L409 V411 V414 L442 R446	L409-I416 HydrophobicContact CD2-CB 4.42Å; L409-I416 HydrophobicContact CD2-CG2 4.44Å; L409-I416 HydrophobicContact CG-CB 4.48Å; L409-I416 PolarHBondContact O-N 2.78Å; V411-I416 HydrophobicContact CB-CD1 4.12Å; V411-I416 HydrophobicContact CB-CG1 3.92Å; V411-I416 HydrophobicContact CG2-CD1 4.47Å; V411-I416 HydrophobicContact CG2-CG1 3.85Å; V414-I416 PolarHBondContact O-N 3.03Å; I416-L442 HydrophobicContact CD1-CD1 3.69Å; I416-L442 HydrophobicContact CD1-CD2 3.73Å; I416-L442 HydrophobicContact CD1-CG 4.38Å; I416-L442 HydrophobicContact CG1-CD2 3.89Å; I416-L442 HydrophobicContact CG2-CD2 4.06Å; I416-R446 HydrophobicContact CD1-CB 4.48Å
417	S	84.4	Confident	85.1	Confident	19 Å²	19	32 Å²	32	13%	0.133	15%	0.153	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-166.8	157.3	-177.9	179.1	0	0	0	0	111.1	L409 D419 F420 E447	L409-S417 WeakPolarHBondContact CB-O 3.42Å; L409-S417 PolarHBondContact N-O 3.06Å; S417-D419 PolarHBondContact OG-N 3.33Å; S417-F420 WeakPolarHBondContact O-CE2 3.34Å; S417-E447 WeakPolarHBondContact CB-O 3.4Å
418	D	84.4	Confident	85.2	Confident	34 Å²	34	31.5 Å²	31.5	18%	0.182	15%	0.151	C	C	.	.	S	Bend	trans	-115.4	-3.8	165.6	56.1	16.6	0	0	0	112.1	Q405 K408 F415 F420	Q405-D418 WeakPolarHBondContact CA-O 3.49Å; Q405-D418 HydrophobicContact CB-CB 3.95Å; Q405-D418 HydrophobicContact CG-CB 4.33Å; Q405-D418 PolarHBondContact NE2-OD1 3.44Å; K408-D418 HydrophobicContact CG-CB 4.31Å; F415-D418 HydrophobicContact CE2-CB 4.2Å; F415-D418 HydrophobicContact CZ-CB 4.02Å; D418-F420 VanDerWaalsContact C-N 3.34Å; D418-F420 PolarHBondContact O-N 3.26Å; D418-F420 VanDerWaalsContact O-N 3.14Å
419	D	76.3	Confident	85.2	Confident	70 Å²	70	30.4 Å²	30.4	37%	0.374	15%	0.148	S	C	.	.			trans	-90.1	68.4	-178.6	-173.7	22.8	0	0	0	110.8	K403 S417	K403-D419 VanDerWaalsContact CD-OD1 3.26Å; K403-D419 WeakPolarHBondContact CD-OD1 3.38Å; S417-D419 PolarHBondContact OG-N 3.33Å
420	F	70.1	Confident	85.2	Confident	28 Å²	28	30.5 Å²	30.5	12%	0.123	15%	0.149	C	C	.	.			trans	-120.7	116.5	171.7	-60.9	-80.6	0	0	0	111	L409 S417 D418 D422 F423 L449 I455	L409-F420 HydrophobicContact CB-CD2 4.43Å; L409-F420 HydrophobicContact CB-CE2 3.65Å; L409-F420 HydrophobicContact CB-CZ 4.39Å; L409-F420 HydrophobicContact CD2-CE2 3.62Å; L409-F420 HydrophobicContact CD2-CZ 3.51Å; L409-F420 HydrophobicContact CG-CE2 4.29Å; S417-F420 WeakPolarHBondContact O-CE2 3.34Å; D418-F420 VanDerWaalsContact C-N 3.34Å; D418-F420 PolarHBondContact O-N 3.26Å; D418-F420 VanDerWaalsContact O-N 3.14Å; F420-D422 PolarHBondContact O-N 3.31Å; F420-F423 HydrophobicContact CB-CD2 3.25Å; F420-F423 HydrophobicContact CB-CE2 3.69Å; F420-F423 HydrophobicContact CB-CG 4.29Å; F420-F423 HydrophobicContact CD1-CD2 4.27Å; F420-F423 AromaticContact CD1-CE2 3.83Å; F420-F423 HydrophobicContact CD1-CE2 3.83Å; F420-F423 AromaticContact CD2-CD2 3.77Å; F420-F423 HydrophobicContact CD2-CD2 3.77Å; F420-F423 AromaticContact CD2-CE2 3.44Å; F420-F423 HydrophobicContact CD2-CE2 3.44Å; F420-F423 VanDerWaalsContact CD2-CE2 3.44Å; F420-F423 HydrophobicContact CD2-CZ 4.25Å; F420-F423 HydrophobicContact CE1-CE2 4.29Å; F420-F423 AromaticContact CE2-CE2 3.95Å; F420-F423 HydrophobicContact CE2-CE2 3.95Å; F420-F423 HydrophobicContact CE2-CZ 4.44Å; F420-F423 AromaticContact CG-CD2 3.53Å; F420-F423 HydrophobicContact CG-CD2 3.53Å; F420-F423 AromaticContact CG-CE2 3.38Å; F420-F423 HydrophobicContact CG-CE2 3.38Å; F420-F423 HydrophobicContact CZ-CE2 4.35Å; F420-L449 HydrophobicContact CE1-CD1 4.48Å; F420-L449 HydrophobicContact CE1-CG 4.43Å; F420-L449 HydrophobicContact CZ-CG 4.46Å; F420-I455 HydrophobicContact CD1-CD1 3.89Å; F420-I455 HydrophobicContact CE1-CD1 4.07Å
421	E	67.5	Low	85.4	Confident	138 Å²	138	30.5 Å²	30.5	65%	0.645	15%	0.149	S	C	*	.	T	Hydrogen-bonded Turn	trans	-61.1	-19	176.9	-69	179.1	-168.2	0	0	113.5	K403	K403-E421 HydrophobicContact CD-CG 3.75Å; K403-E421 WeakPolarHBondContact CE-OE1 3.44Å; K403-E421 HydrophobicContact CG-CG 4.1Å; K403-E421 IonicContact NZ-OE1 2.74Å; K403-E421 PolarHBondContact NZ-OE1 3.14Å
422	D	72.9	Confident	85.7	Confident	70 Å²	70	33.1 Å²	33.1	37%	0.374	16%	0.159	S	C	.	.	T	Hydrogen-bonded Turn	trans	-116.2	-0.6	-162.4	-103.9	-31.9	0	0	0	115.9	F420 M424 I455 K459	F420-D422 PolarHBondContact O-N 3.31Å; D422-M424 VanDerWaalsContact C-N 3.34Å; D422-M424 PolarHBondContact O-N 3.12Å; D422-I455 HydrophobicContact CB-CG2 3.98Å; D422-K459 WeakPolarHBondContact O-CB 3.48Å; D422-K459 WeakPolarHBondContact O-CD 3.31Å; D422-K459 WeakPolarHBondContact O-CE 3.32Å; D422-K459 VanDerWaalsContact O-CG 3.27Å; D422-K459 WeakPolarHBondContact O-CG 3.32Å; D422-K459 PolarHBondContact O-NZ 3.24Å; D422-K459 IonicContact OD1-NZ 2.87Å; D422-K459 PolarHBondContact OD1-NZ 3.46Å
423	F	81.2	Confident	86.2	Confident	6 Å²	6	30.3 Å²	30.3	3%	0.026	15%	0.149	C	C	.	.	S	Bend	trans	-68.4	-34.5	-178	-95.8	-106.6	0	0	0	113.1	I407 L409 F420 V435 I455 I458 K459 L462	I407-F423 HydrophobicContact CB-CB 4.47Å; I407-F423 HydrophobicContact CG2-CD1 3.95Å; L409-F423 HydrophobicContact CB-CZ 4.32Å; L409-F423 HydrophobicContact CD1-CE1 4.14Å; L409-F423 HydrophobicContact CD1-CZ 3.87Å; L409-F423 HydrophobicContact CD2-CZ 4.04Å; L409-F423 HydrophobicContact CG-CZ 4.3Å; F420-F423 HydrophobicContact CB-CD2 3.25Å; F420-F423 HydrophobicContact CB-CE2 3.69Å; F420-F423 HydrophobicContact CB-CG 4.29Å; F420-F423 HydrophobicContact CD1-CD2 4.27Å; F420-F423 AromaticContact CD1-CE2 3.83Å; F420-F423 HydrophobicContact CD1-CE2 3.83Å; F420-F423 AromaticContact CD2-CD2 3.77Å; F420-F423 HydrophobicContact CD2-CD2 3.77Å; F420-F423 AromaticContact CD2-CE2 3.44Å; F420-F423 HydrophobicContact CD2-CE2 3.44Å; F420-F423 VanDerWaalsContact CD2-CE2 3.44Å; F420-F423 HydrophobicContact CD2-CZ 4.25Å; F420-F423 HydrophobicContact CE1-CE2 4.29Å; F420-F423 AromaticContact CE2-CE2 3.95Å; F420-F423 HydrophobicContact CE2-CE2 3.95Å; F420-F423 HydrophobicContact CE2-CZ 4.44Å; F420-F423 AromaticContact CG-CD2 3.53Å; F420-F423 HydrophobicContact CG-CD2 3.53Å; F420-F423 AromaticContact CG-CE2 3.38Å; F420-F423 HydrophobicContact CG-CE2 3.38Å; F420-F423 HydrophobicContact CZ-CE2 4.35Å; F423-V435 HydrophobicContact CD1-CG2 4.33Å; F423-V435 HydrophobicContact CE1-CB 4.27Å; F423-V435 HydrophobicContact CE1-CG1 4.42Å; F423-V435 HydrophobicContact CE1-CG2 4.11Å; F423-I455 HydrophobicContact CD2-CG2 3.82Å; F423-I455 HydrophobicContact CE2-CD1 4.45Å; F423-I455 HydrophobicContact CE2-CG1 4.22Å; F423-I455 HydrophobicContact CE2-CG2 3.82Å; F423-I458 HydrophobicContact CD1-CG2 4.08Å; F423-I458 HydrophobicContact CE1-CG2 3.74Å; F423-I458 HydrophobicContact CZ-CD1 4.48Å; F423-K459 WeakPolarHBondContact O-CG 3.46Å; F423-L462 HydrophobicContact CD1-CD1 3.99Å
424	M	90	Very high	86.6	Confident	19 Å²	19	29 Å²	29	9%	0.094	14%	0.144	C	C	.	.	S	Bend	trans	-133.1	143.4	178.4	-68.8	-62.1	-82.9	0	0	110.1	I407 D422 L428 V431 L462 V463 L466	I407-M424 HydrophobicContact CD1-CG 4.47Å; I407-M424 HydrophobicContact CG1-CG 3.84Å; D422-M424 VanDerWaalsContact C-N 3.34Å; D422-M424 PolarHBondContact O-N 3.12Å; M424-L428 HydrophobicContact CE-CB 3.58Å; M424-L428 HydrophobicContact CE-CD1 3.89Å; M424-L428 HydrophobicContact CE-CG 4.36Å; M424-V431 HydrophobicContact CE-CB 3.89Å; M424-V431 HydrophobicContact CE-CG1 4.07Å; M424-V431 HydrophobicContact CE-CG2 3.89Å; M424-L462 HydrophobicContact SD-CB 3.88Å; M424-L462 HydrophobicContact SD-CD1 4.13Å; M424-V463 HydrophobicContact SD-CG2 4.49Å; M424-L466 HydrophobicContact CE-CD2 4.01Å
425	P	91.2	Very high	87.1	Confident	17 Å²	17	28.8 Å²	28.8	11%	0.11	14%	0.143	C	C	.	.			trans	-67.5	154	169.1	32	-35.2	0	0	0	109.9	Y427 L428 S429 V463	P425-Y427 VanDerWaalsContact C-N 3.27Å; P425-Y427 HydrophobicContact CB-CD1 3.62Å; P425-Y427 HydrophobicContact CB-CE1 3.4Å; P425-Y427 HydrophobicContact CG-CD1 3.77Å; P425-Y427 HydrophobicContact CG-CE1 3.25Å; P425-Y427 PolarHBondContact O-N 2.9Å; P425-L428 HydrophobicContact CG-CB 4.19Å; P425-L428 HydrophobicContact CG-CD1 3.81Å; P425-L428 HydrophobicContact CG-CG 4.06Å; P425-L428 CarbonylContact O-C 3.59Å; P425-L428 WeakPolarHBondContact O-CA 3.41Å; P425-L428 PolarHBondContact O-N 2.68Å; P425-S429 PolarHBondContact O-N 3.46Å; P425-V463 VanDerWaalsContact CD-CG2 3.44Å; P425-V463 HydrophobicContact CG-CG2 3.84Å
426	K	90	Very high	87.3	Confident	104 Å²	104	28.7 Å²	28.7	45%	0.452	14%	0.143	S	C	.	.	G	3₁₀ helix	trans	-56.5	-38.5	-173.6	-65.1	-172.6	173.2	-160.7	0	113.5	Y400 L428 S429	Y400-K426 HydrophobicContact CD1-CD 3.89Å; Y400-K426 HydrophobicContact CE1-CB 3.85Å; Y400-K426 HydrophobicContact CE1-CD 3.55Å; Y400-K426 HydrophobicContact CE1-CG 4.38Å; Y400-K426 HydrophobicContact CE2-CB 3.98Å; Y400-K426 VanDerWaalsContact CZ-CB 3.45Å; Y400-K426 PolarHBondContact O-NZ 3.17Å; Y400-K426 VanDerWaalsContact OH-CB 3.31Å; Y400-K426 WeakPolarHBondContact OH-CB 3.31Å; K426-L428 PolarHBondContact O-N 2.84Å; K426-L428 VanDerWaalsContact O-N 3.08Å; K426-S429 WeakPolarHBondContact O-CB 3.29Å; K426-S429 PolarHBondContact O-N 2.88Å; K426-S429 PolarHBondContact O-OG 2.72Å; K426-S429 VanDerWaalsContact O-OG 3.05Å
427	Y	92.8	Very high	87.5	Confident	3 Å²	3	28.4 Å²	28.4	1%	0.012	14%	0.141	C	C	.	.	G	3₁₀ helix	trans	-64.8	-10.5	176.3	77.8	-91.8	0	0	0	114.9	Y400 P425 F430 A488 L489 D496 L503	Y400-Y427 PolarHBondContact OH-N 3.48Å; P425-Y427 VanDerWaalsContact C-N 3.27Å; P425-Y427 HydrophobicContact CB-CD1 3.62Å; P425-Y427 HydrophobicContact CB-CE1 3.4Å; P425-Y427 HydrophobicContact CG-CD1 3.77Å; P425-Y427 HydrophobicContact CG-CE1 3.25Å; P425-Y427 PolarHBondContact O-N 2.9Å; Y427-F430 VanDerWaalsContact O-CE1 3.26Å; Y427-F430 WeakPolarHBondContact O-CE1 3.42Å; Y427-A488 WeakPolarHBondContact CB-O 3.42Å; Y427-A488 WeakPolarHBondContact O-CB 3.38Å; Y427-L489 HydrophobicContact CD2-CD2 4.5Å; Y427-D496 HydrophobicContact CD1-CB 4.47Å; Y427-D496 HydrophobicContact CE1-CB 3.64Å; Y427-D496 PolarHBondContact OH-OD2 3.2Å; Y427-L503 HydrophobicContact CE2-CD1 4.15Å; Y427-L503 HydrophobicContact CE2-CD2 3.81Å
428	L	94.3	Very high	87.5	Confident	0 Å²	0	30.6 Å²	30.6	0%	0	15%	0.152	C	C	.	.	G	3₁₀ helix	trans	-118.2	20	173.6	-58.9	175	0	0	0	111.8	M424 P425 K426 F430 V431 V463 L466 L489	M424-L428 HydrophobicContact CE-CB 3.58Å; M424-L428 HydrophobicContact CE-CD1 3.89Å; M424-L428 HydrophobicContact CE-CG 4.36Å; P425-L428 HydrophobicContact CG-CB 4.19Å; P425-L428 HydrophobicContact CG-CD1 3.81Å; P425-L428 HydrophobicContact CG-CG 4.06Å; P425-L428 CarbonylContact O-C 3.59Å; P425-L428 WeakPolarHBondContact O-CA 3.41Å; P425-L428 PolarHBondContact O-N 2.68Å; K426-L428 PolarHBondContact O-N 2.84Å; K426-L428 VanDerWaalsContact O-N 3.08Å; L428-F430 HydrophobicContact CD2-CE1 4.29Å; L428-F430 HydrophobicContact CD2-CZ 4.01Å; L428-F430 PolarHBondContact O-N 3.15Å; L428-V431 HydrophobicContact CB-CG2 4.16Å; L428-V431 WeakPolarHBondContact O-CB 3.4Å; L428-V431 VanDerWaalsContact O-CG2 3.31Å; L428-V431 WeakPolarHBondContact O-CG2 3.44Å; L428-V431 PolarHBondContact O-N 3.37Å; L428-V431 VanDerWaalsContact O-N 3.14Å; L428-V463 HydrophobicContact CD1-CG1 4.16Å; L428-V463 HydrophobicContact CD1-CG2 4.14Å; L428-L466 HydrophobicContact CB-CD2 4.21Å; L428-L466 HydrophobicContact CD1-CD2 3.57Å; L428-L466 HydrophobicContact CD2-CD2 3.52Å; L428-L466 HydrophobicContact CG-CD2 3.94Å; L428-L489 HydrophobicContact CD2-CD2 4.29Å
429	S	91.1	Very high	87.3	Confident	17 Å²	17	34 Å²	34	12%	0.119	17%	0.17	C	C	.	.	T	Hydrogen-bonded Turn	trans	-60.9	-26	-177.1	65.9	0	0	0	0	112.4	N406 P425 K426 V431	N406-S429 PolarHBondContact ND2-O 3.27Å; P425-S429 PolarHBondContact O-N 3.46Å; K426-S429 WeakPolarHBondContact O-CB 3.29Å; K426-S429 PolarHBondContact O-N 2.88Å; K426-S429 PolarHBondContact O-OG 2.72Å; K426-S429 VanDerWaalsContact O-OG 3.05Å; S429-V431 PolarHBondContact O-N 3.06Å
430	F	92.3	Very high	87.7	Confident	2 Å²	2	31.1 Å²	31.1	1%	0.009	16%	0.155	C	C	.	.	T	Hydrogen-bonded Turn	trans	-67.3	-16.6	177.8	58.7	-97.2	0	0	0	114.7	I388 P389 L396 Y427 L428 K432 F481 Y485 A488	I388-F430 HydrophobicContact CG2-CE2 4.22Å; P389-F430 WeakPolarHBondContact CD-O 3.38Å; P389-F430 WeakPolarHBondContact CG-O 3.16Å; L396-F430 HydrophobicContact CD1-CB 3.92Å; Y427-F430 VanDerWaalsContact O-CE1 3.26Å; Y427-F430 WeakPolarHBondContact O-CE1 3.42Å; L428-F430 HydrophobicContact CD2-CE1 4.29Å; L428-F430 HydrophobicContact CD2-CZ 4.01Å; L428-F430 PolarHBondContact O-N 3.15Å; F430-K432 PolarHBondContact O-N 3.43Å; F430-F481 HydrophobicContact CE2-CE2 4.17Å; F430-F481 HydrophobicContact CZ-CE2 4.06Å; F430-F481 HydrophobicContact CZ-CZ 4.39Å; F430-Y485 HydrophobicContact CB-CD1 4.11Å; F430-Y485 HydrophobicContact CB-CE1 3.57Å; F430-Y485 AromaticContact CD1-CD1 3.5Å; F430-Y485 HydrophobicContact CD1-CD1 3.5Å; F430-Y485 AromaticContact CD1-CE1 3.89Å; F430-Y485 HydrophobicContact CD1-CE1 3.89Å; F430-Y485 HydrophobicContact CD1-CG 4.25Å; F430-Y485 AromaticContact CD2-CD1 3.8Å; F430-Y485 HydrophobicContact CD2-CD1 3.8Å; F430-Y485 HydrophobicContact CD2-CD2 4.47Å; F430-Y485 AromaticContact CD2-CE1 3.65Å; F430-Y485 HydrophobicContact CD2-CE1 3.65Å; F430-Y485 HydrophobicContact CD2-CE2 4.32Å; F430-Y485 HydrophobicContact CD2-CG 4.21Å; F430-Y485 AromaticContact CD2-CZ 3.91Å; F430-Y485 AromaticContact CE1-CD1 3.75Å; F430-Y485 HydrophobicContact CE1-CD1 3.75Å; F430-Y485 HydrophobicContact CE1-CE1 4.49Å; F430-Y485 HydrophobicContact CE1-CG 4.05Å; F430-Y485 HydrophobicContact CE2-CD1 4.05Å; F430-Y485 HydrophobicContact CE2-CD2 4.27Å; F430-Y485 HydrophobicContact CE2-CE1 4.3Å; F430-Y485 HydrophobicContact CE2-CE2 4.47Å; F430-Y485 HydrophobicContact CE2-CG 4.03Å; F430-Y485 AromaticContact CG-CD1 3.53Å; F430-Y485 HydrophobicContact CG-CD1 3.53Å; F430-Y485 AromaticContact CG-CE1 3.42Å; F430-Y485 HydrophobicContact CG-CE1 3.42Å; F430-Y485 VanDerWaalsContact CG-CE1 3.42Å; F430-Y485 HydrophobicContact CG-CG 4.33Å; F430-Y485 HydrophobicContact CZ-CD1 4.03Å; F430-Y485 AromaticContact CZ-CG 3.95Å; F430-Y485 HydrophobicContact CZ-CG 3.95Å; F430-A488 HydrophobicContact CD1-CB 4.37Å; F430-A488 HydrophobicContact CE1-CB 3.91Å
431	V	95.1	Very high	88.3	Confident	1 Å²	1	31.7 Å²	31.7	1%	0.006	16%	0.161	C	C	.	.			trans	-70.8	126.6	-174.7	178.7	0	0	0	0	110.3	L386 N406 I407 M424 L428 S429 L466	L386-V431 HydrophobicContact CB-CG1 4.1Å; L386-V431 HydrophobicContact CD2-CG1 4.42Å; N406-V431 VanDerWaalsContact CB-O 3.22Å; N406-V431 WeakPolarHBondContact CB-O 3.34Å; I407-V431 HydrophobicContact CD1-CG1 4.27Å; I407-V431 WeakPolarHBondContact CD1-O 3.37Å; M424-V431 HydrophobicContact CE-CB 3.89Å; M424-V431 HydrophobicContact CE-CG1 4.07Å; M424-V431 HydrophobicContact CE-CG2 3.89Å; L428-V431 HydrophobicContact CB-CG2 4.16Å; L428-V431 WeakPolarHBondContact O-CB 3.4Å; L428-V431 VanDerWaalsContact O-CG2 3.31Å; L428-V431 WeakPolarHBondContact O-CG2 3.44Å; L428-V431 PolarHBondContact O-N 3.37Å; L428-V431 VanDerWaalsContact O-N 3.14Å; S429-V431 PolarHBondContact O-N 3.06Å; V431-L466 HydrophobicContact CG1-CD1 4.13Å; V431-L466 HydrophobicContact CG2-CD1 4.01Å; V431-L466 HydrophobicContact CG2-CD2 3.48Å; V431-L466 VanDerWaalsContact CG2-CD2 3.48Å; V431-L466 HydrophobicContact CG2-CG 4.4Å
432	K	94.8	Very high	88.9	Confident	61 Å²	61	26 Å²	26	27%	0.265	14%	0.135	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.1	152.6	177.2	-58.9	-73.9	177.7	168.4	0	109.8	Y358 T362 L386 F387 P389 N406 F430	Y358-K432 HydrophobicContact CE2-CB 4.27Å; Y358-K432 HydrophobicContact CE2-CG 4.46Å; T362-K432 HydrophobicContact CG2-CB 3.91Å; T362-K432 HydrophobicContact CG2-CD 4.15Å; T362-K432 HydrophobicContact CG2-CG 3.87Å; L386-K432 CarbonylContact C-O 3.6Å; F387-K432 HydrophobicContact CB-CB 4.39Å; F387-K432 PolarHBondContact N-O 3.5Å; F387-K432 PolarHBondContact O-N 3.37Å; P389-K432 HydrophobicContact CG-CG 3.97Å; N406-K432 HydrophobicContact CB-CD 3.87Å; N406-K432 CarbonylContact O-C 3.51Å; N406-K432 VanDerWaalsContact O-CA 3.3Å; N406-K432 WeakPolarHBondContact O-CA 3.39Å; N406-K432 WeakPolarHBondContact OD1-CE 3.44Å; N406-K432 PolarHBondContact OD1-NZ 3.25Å; F430-K432 PolarHBondContact O-N 3.43Å
433	G	95.1	Very high	89.3	Confident	1 Å²	1	24 Å²	24	1%	0.01	12%	0.124	C	C	.	.	E	Extended strand (participates in β ladder)	trans	163.9	-168	174.4	0	0	0	0	0	115.1	I385 N406 I407 K408	I385-G433 WeakPolarHBondContact O-CA 3.18Å; N406-G433 PolarHBondContact O-N 2.88Å; I407-G433 WeakPolarHBondContact CA-O 3.38Å; K408-G433 PolarHBondContact N-O 2.85Å
434	I	94.9	Very high	89.3	Confident	0 Å²	0	26.7 Å²	26.7	0%	0	14%	0.141	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.8	152.5	-178.7	59.1	157.8	0	0	0	110.8	W342 F357 L361 S384 I385 K408 Y410	W342-I434 HydrophobicContact CB-CD1 3.94Å; W342-I434 HydrophobicContact CD2-CD1 3.19Å; W342-I434 HydrophobicContact CE3-CD1 2.98Å; W342-I434 HydrophobicContact CE3-CG1 4.46Å; W342-I434 HydrophobicContact CG-CD1 3.64Å; W342-I434 HydrophobicContact CH2-CD1 3.92Å; W342-I434 HydrophobicContact CZ2-CD1 4.2Å; W342-I434 HydrophobicContact CZ3-CD1 3.37Å; F357-I434 HydrophobicContact CE1-CD1 4.24Å; F357-I434 HydrophobicContact CE1-CG1 4.43Å; F357-I434 HydrophobicContact CZ-CD1 3.87Å; F357-I434 HydrophobicContact CZ-CG1 4.42Å; F357-I434 HydrophobicContact CZ-CG2 4.31Å; L361-I434 HydrophobicContact CD1-CG2 3.65Å; L361-I434 HydrophobicContact CD2-CG2 3.91Å; L361-I434 HydrophobicContact CG-CG2 4.46Å; S384-I434 WeakPolarHBondContact CA-O 3.45Å; S384-I434 WeakPolarHBondContact CB-O 3.46Å; S384-I434 PolarHBondContact OG-O 2.94Å; I385-I434 HydrophobicContact CB-CG1 4.33Å; I385-I434 PolarHBondContact N-O 3.42Å; I385-I434 PolarHBondContact O-N 3.29Å; K408-I434 HydrophobicContact CB-CG2 4.36Å; K408-I434 CarbonylContact O-C 3.55Å; K408-I434 VanDerWaalsContact O-CA 3.32Å; K408-I434 WeakPolarHBondContact O-CA 3.34Å; Y410-I434 HydrophobicContact CD2-CB 4.37Å; Y410-I434 HydrophobicContact CD2-CG2 4.4Å; Y410-I434 HydrophobicContact CE2-CB 4.39Å; Y410-I434 HydrophobicContact CE2-CG2 3.93Å
435	V	94.6	Very high	88.9	Confident	0 Å²	0	26.3 Å²	26.3	0%	0	14%	0.14	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.7	122.4	168.3	176.3	0	0	0	0	106.8	F382 I407 K408 L409 Y410 F423 I458 L462	F382-V435 HydrophobicContact CB-CG1 4.14Å; F382-V435 HydrophobicContact CD2-CG1 3.73Å; F382-V435 HydrophobicContact CE2-CG1 4.32Å; F382-V435 HydrophobicContact CG-CG1 4.04Å; I407-V435 HydrophobicContact CG2-CG2 3.84Å; K408-V435 PolarHBondContact O-N 3.01Å; L409-V435 CarbonylContact C-O 3.6Å; L409-V435 WeakPolarHBondContact CA-O 3.27Å; L409-V435 HydrophobicContact CD1-CB 4.02Å; L409-V435 HydrophobicContact CD1-CG1 3.88Å; Y410-V435 PolarHBondContact N-O 3.42Å; F423-V435 HydrophobicContact CD1-CG2 4.33Å; F423-V435 HydrophobicContact CE1-CB 4.27Å; F423-V435 HydrophobicContact CE1-CG1 4.42Å; F423-V435 HydrophobicContact CE1-CG2 4.11Å; V435-I458 HydrophobicContact CG1-CG2 4.22Å; V435-I458 HydrophobicContact CG2-CG2 4.42Å; V435-L462 HydrophobicContact CG2-CD1 4.01Å; V435-L462 HydrophobicContact CG2-CD2 4.01Å
436	D	93.8	Very high	88.4	Confident	5 Å²	5	26.4 Å²	26.4	3%	0.027	14%	0.138	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.8	130.2	176.1	-171.4	24.3	0	0	0	109.8	W342 F382 K383 Y410 R412 R413	W342-D436 HydrophobicContact CZ2-CB 4.47Å; W342-D436 VanDerWaalsContact NE1-CB 3.3Å; W342-D436 PolarHBondContact NE1-OD2 3.43Å; F382-D436 CarbonylContact C-O 3.53Å; F382-D436 VanDerWaalsContact CA-O 3.3Å; F382-D436 WeakPolarHBondContact CA-O 3.44Å; F382-D436 WeakPolarHBondContact CB-O 3.47Å; K383-D436 PolarHBondContact N-O 2.96Å; K383-D436 PolarHBondContact O-N 2.93Å; Y410-D436 WeakPolarHBondContact CB-OD1 3.08Å; Y410-D436 WeakPolarHBondContact O-CA 3.18Å; R412-D436 PolarHBondContact N-OD1 3.39Å; R413-D436 PolarHBondContact N-OD1 3.18Å; R413-D436 VanDerWaalsContact N-OD1 3.15Å
437	S	90.9	Very high	87.9	Confident	1 Å²	1	22.8 Å²	22.8	1%	0.007	12%	0.123	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.1	137.1	-173.8	-171.5	0	0	0	0	110.5	S381 Y410 V411 R412 L440	S381-S437 PolarHBondContact O-OG 2.81Å; Y410-S437 PolarHBondContact O-N 3.03Å; V411-S437 WeakPolarHBondContact CA-O 3.36Å; V411-S437 WeakPolarHBondContact CG1-O 3.39Å; R412-S437 PolarHBondContact N-O 2.84Å; S437-L440 WeakPolarHBondContact OG-CG 3.45Å
438	D	84.9	Confident	87.2	Confident	65 Å²	65	26.1 Å²	26.1	35%	0.348	14%	0.144	S	C	.	.	S	Bend	trans	-90.3	-16.9	179.5	-59.9	-42.4	0	0	0	113.2	R412	R412-D438 PolarHBondContact NE-O 3.36Å; R412-D438 PolarHBondContact NH2-O 3.17Å
439	D	80.5	Confident	86.4	Confident	107 Å²	107	26.6 Å²	26.6	57%	0.572	15%	0.146	S	C	*	.	S	Bend	trans	-110.5	4.7	-167.2	-54.4	-33.7	0	0	0	114.8	S381	S381-D439 WeakPolarHBondContact CB-OD2 3.4Å
440	L	84.5	Confident	85.7	Confident	9 Å²	9	31.4 Å²	31.4	5%	0.047	17%	0.167	C	C	.	.			trans	-77.3	127.2	-176.2	-78	175.6	0	0	0	111.8	V380 L409 V411 S437 L442 L449 L454 I458	V380-L440 HydrophobicContact CG1-CD2 4.02Å; L409-L440 HydrophobicContact CD1-CD1 3.86Å; L409-L440 HydrophobicContact CD2-CD1 4.3Å; V411-L440 HydrophobicContact CG2-CB 3.85Å; V411-L440 HydrophobicContact CG2-CD1 4.11Å; S437-L440 WeakPolarHBondContact OG-CG 3.45Å; L440-L442 PolarHBondContact O-N 2.89Å; L440-L442 VanDerWaalsContact O-N 3.07Å; L440-L449 HydrophobicContact CB-CD2 3.94Å; L440-L449 HydrophobicContact CD1-CD1 4.22Å; L440-L449 HydrophobicContact CD1-CD2 4.2Å; L440-L449 HydrophobicContact CD2-CD1 4.49Å; L440-L449 HydrophobicContact CG-CD2 4.5Å; L440-L454 HydrophobicContact CD2-CB 4.11Å; L440-L454 HydrophobicContact CD2-CD1 3.85Å; L440-I458 HydrophobicContact CD1-CD1 4.16Å; L440-I458 HydrophobicContact CD2-CD1 4.27Å
441	P	81.5	Confident	84.8	Confident	40 Å²	40	36 Å²	36	26%	0.26	19%	0.189	S	C	.	.			trans	-72.3	105.1	177.5	29	-33.2	0	0	0	110.5	Q450 Q451 L454	P441-Q450 HydrophobicContact CB-CB 4.47Å; P441-Q450 PolarHBondContact O-N 2.88Å; P441-Q451 HydrophobicContact CG-CG 4.41Å; P441-L454 HydrophobicContact CG-CD1 3.98Å
442	L	81.7	Confident	83.9	Confident	17 Å²	17	41.6 Å²	41.6	9%	0.089	22%	0.218	C	C	.	.	B	Isolated β-bridge	trans	-77.5	146	176.6	-63.3	-178.4	0	0	0	111.5	V411 I416 L440 R446 L449 Q450	V411-L442 HydrophobicContact CB-CD1 4.18Å; V411-L442 HydrophobicContact CB-CD2 4.2Å; V411-L442 HydrophobicContact CB-CG 4.46Å; V411-L442 HydrophobicContact CG1-CD1 3.96Å; V411-L442 HydrophobicContact CG1-CD2 4.43Å; V411-L442 HydrophobicContact CG1-CG 4.2Å; V411-L442 HydrophobicContact CG2-CD2 3.8Å; V411-L442 HydrophobicContact CG2-CG 4.45Å; I416-L442 HydrophobicContact CD1-CD1 3.69Å; I416-L442 HydrophobicContact CD1-CD2 3.73Å; I416-L442 HydrophobicContact CD1-CG 4.38Å; I416-L442 HydrophobicContact CG1-CD2 3.89Å; I416-L442 HydrophobicContact CG2-CD2 4.06Å; L440-L442 PolarHBondContact O-N 2.89Å; L440-L442 VanDerWaalsContact O-N 3.07Å; L442-R446 HydrophobicContact CD1-CB 4.29Å; L442-R446 HydrophobicContact CD1-CG 4.12Å; L442-L449 HydrophobicContact CD2-CD2 3.81Å; L442-Q450 WeakPolarHBondContact O-CG 3.22Å; L442-Q450 PolarHBondContact O-NE2 2.73Å
443	N	81.2	Confident	83.4	Confident	30 Å²	30	46.6 Å²	46.6	16%	0.16	24%	0.24	C	C	.	.			trans	-68.3	169.2	164.5	76.4	-11.1	0	0	0	110.7	S445 R446 E447 T448 Q450	N443-S445 PolarHBondContact ND2-OG 2.84Å; N443-S445 PolarHBondContact O-N 2.98Å; N443-S445 PolarHBondContact OD1-N 2.97Å; N443-S445 PolarHBondContact OD1-OG 2.71Å; N443-R446 PolarHBondContact O-N 3.45Å; N443-R446 VanDerWaalsContact OD1-CA 3.26Å; N443-R446 WeakPolarHBondContact OD1-CA 3.17Å; N443-R446 PolarHBondContact OD1-N 3.1Å; N443-E447 PolarHBondContact OD1-N 2.88Å; N443-E447 VanDerWaalsContact OD1-N 3.08Å; N443-T448 VanDerWaalsContact CB-O 3.31Å; N443-T448 WeakPolarHBondContact CB-O 3.47Å; N443-T448 PolarHBondContact N-O 2.74Å; N443-T448 PolarHBondContact ND2-N 3.06Å; N443-T448 PolarHBondContact ND2-OG1 2.89Å; N443-T448 PolarHBondContact OD1-N 2.65Å; N443-T448 PolarHBondContact OD1-O 3.46Å; N443-Q450 HydrophobicContact CB-CG 4.35Å
444	V	81	Confident	83	Confident	61 Å²	61	47.4 Å²	47.4	37%	0.37	24%	0.244	S	C	.	.	T	Hydrogen-bonded Turn	trans	-64.7	-29.7	-178.2	-174.5	0	0	0	0	112	L101 F197 V199 R446	L101-V444 HydrophobicContact CD1-CB 3.95Å; L101-V444 HydrophobicContact CD1-CG1 3.78Å; L101-V444 HydrophobicContact CD2-CG1 3.96Å; L101-V444 HydrophobicContact CG-CG1 4.43Å; F197-V444 HydrophobicContact CD1-CG2 4.47Å; F197-V444 HydrophobicContact CE1-CG2 4.33Å; V199-V444 HydrophobicContact CG2-CG1 3.99Å; V444-R446 VanDerWaalsContact C-N 3.25Å; V444-R446 PolarHBondContact O-N 2.94Å
445	S	81.5	Confident	82.6	Confident	11 Å²	11	47.8 Å²	47.8	8%	0.077	25%	0.246	C	C	.	.	T	Hydrogen-bonded Turn	trans	-75.2	-12.3	176	76.5	0	0	0	0	114	L101 R110 N443 E447	L101-S445 WeakPolarHBondContact O-CB 3.13Å; R110-S445 PolarHBondContact NH2-O 2.78Å; N443-S445 PolarHBondContact ND2-OG 2.84Å; N443-S445 PolarHBondContact O-N 2.98Å; N443-S445 PolarHBondContact OD1-N 2.97Å; N443-S445 PolarHBondContact OD1-OG 2.71Å; S445-E447 PolarHBondContact O-N 3.35Å; S445-E447 WeakPolarHBondContact OG-CB 3.3Å; S445-E447 PolarHBondContact OG-N 3.19Å
446	R	80.8	Confident	82.3	Confident	20 Å²	20	53.6 Å²	53.6	8%	0.075	27%	0.271	C	S	.	.	S	Bend	trans	51	30.9	-169.6	-53.7	173.2	180	-106.6	4.8	113.7	R110 E111 I194 F197 I416 L442 N443 V444	R110-R446 PolarHBondContact NH1-O 3.25Å; R110-R446 VanDerWaalsContact NH1-O 3.09Å; E111-R446 IonicContact OE2-NE 3.85Å; I194-R446 VanDerWaalsContact CG2-NH1 3.3Å; I194-R446 VanDerWaalsContact O-CZ 3.3Å; I194-R446 PolarHBondContact O-NH1 3.3Å; I194-R446 PolarHBondContact O-NH2 2.99Å; F197-R446 HydrophobicContact CE2-CG 4.2Å; I416-R446 HydrophobicContact CD1-CB 4.48Å; L442-R446 HydrophobicContact CD1-CB 4.29Å; L442-R446 HydrophobicContact CD1-CG 4.12Å; N443-R446 PolarHBondContact O-N 3.45Å; N443-R446 VanDerWaalsContact OD1-CA 3.26Å; N443-R446 WeakPolarHBondContact OD1-CA 3.17Å; N443-R446 PolarHBondContact OD1-N 3.1Å; V444-R446 VanDerWaalsContact C-N 3.25Å; V444-R446 PolarHBondContact O-N 2.94Å
447	E	79.2	Confident	82.2	Confident	27 Å²	27	54.9 Å²	54.9	13%	0.126	28%	0.279	C	S	.	.	S	Bend	trans	-109.5	-24.1	175.8	-65.4	-179.1	177.8	0	0	112	I107 S417 N443 S445	I107-E447 WeakPolarHBondContact CG2-OE1 3.39Å; S417-E447 WeakPolarHBondContact CB-O 3.4Å; N443-E447 PolarHBondContact OD1-N 2.88Å; N443-E447 VanDerWaalsContact OD1-N 3.08Å; S445-E447 PolarHBondContact O-N 3.35Å; S445-E447 WeakPolarHBondContact OG-CB 3.3Å; S445-E447 PolarHBondContact OG-N 3.19Å
448	T	76.7	Confident	82.3	Confident	73 Å²	73	54.9 Å²	54.9	45%	0.448	28%	0.279	S	S	.	.	S	Bend	trans	-133.5	159.8	178.3	73.3	0	0	0	0	111.6	N443	N443-T448 VanDerWaalsContact CB-O 3.31Å; N443-T448 WeakPolarHBondContact CB-O 3.47Å; N443-T448 PolarHBondContact N-O 2.74Å; N443-T448 PolarHBondContact ND2-N 3.06Å; N443-T448 PolarHBondContact ND2-OG1 2.89Å; N443-T448 PolarHBondContact OD1-N 2.65Å; N443-T448 PolarHBondContact OD1-O 3.46Å
449	L	78.6	Confident	82.6	Confident	10 Å²	10	54 Å²	54	5%	0.052	27%	0.272	C	S	.	.	B	Isolated β-bridge	trans	-85	143.6	174.9	-64.6	177.8	0	0	0	110.3	L409 F420 L440 L442 Q451 I455	L409-L449 HydrophobicContact CD2-CD1 3.78Å; L409-L449 HydrophobicContact CD2-CD2 4.13Å; L409-L449 HydrophobicContact CD2-CG 4.03Å; F420-L449 HydrophobicContact CE1-CD1 4.48Å; F420-L449 HydrophobicContact CE1-CG 4.43Å; F420-L449 HydrophobicContact CZ-CG 4.46Å; L440-L449 HydrophobicContact CB-CD2 3.94Å; L440-L449 HydrophobicContact CD1-CD1 4.22Å; L440-L449 HydrophobicContact CD1-CD2 4.2Å; L440-L449 HydrophobicContact CD2-CD1 4.49Å; L440-L449 HydrophobicContact CG-CD2 4.5Å; L442-L449 HydrophobicContact CD2-CD2 3.81Å; L449-Q451 VanDerWaalsContact C-N 3.32Å; L449-Q451 PolarHBondContact O-N 3.18Å; L449-I455 HydrophobicContact CD1-CD1 3.93Å; L449-I455 HydrophobicContact CD1-CG1 3.64Å
450	Q	76.2	Confident	83.2	Confident	119 Å²	119	56.4 Å²	56.4	56%	0.556	28%	0.277	S	S	*	.	S	Bend	trans	-68.9	-31	176.9	-63.8	-175.6	1.8	0	0	112.6	P441 L442 N443	P441-Q450 HydrophobicContact CB-CB 4.47Å; P441-Q450 PolarHBondContact O-N 2.88Å; L442-Q450 WeakPolarHBondContact O-CG 3.22Å; L442-Q450 PolarHBondContact O-NE2 2.73Å; N443-Q450 HydrophobicContact CB-CG 4.35Å
451	Q	72.5	Confident	83.7	Confident	99 Å²	99	58.1 Å²	58.1	46%	0.463	28%	0.284	S	S	.	.			trans	-122.5	107.7	-172	-64.1	-171.9	2.5	0	0	113.2	P441 L449 K453 L454	P441-Q451 HydrophobicContact CG-CG 4.41Å; L449-Q451 VanDerWaalsContact C-N 3.32Å; L449-Q451 PolarHBondContact O-N 3.18Å; Q451-K453 PolarHBondContact O-N 2.85Å; Q451-K453 VanDerWaalsContact O-N 3.15Å; Q451-L454 HydrophobicContact CB-CG 4.37Å; Q451-L454 PolarHBondContact O-N 3.19Å
452	N	76.1	Confident	84.4	Confident	118 Å²	118	56.2 Å²	56.2	63%	0.631	27%	0.272	S	S	*	.	H	α-helix	trans	-65.1	-16.3	176.1	-73.1	-19.2	0	0	0	114.4
453	K	84.9	Confident	85.1	Confident	165 Å²	165	55.6 Å²	55.6	72%	0.717	27%	0.269	S	S	*	.	H	α-helix	trans	-65.3	-41	179	-70.4	-176.1	-178.4	177	0	112	Q451 I455 K456 V457	Q451-K453 PolarHBondContact O-N 2.85Å; Q451-K453 VanDerWaalsContact O-N 3.15Å; K453-I455 VanDerWaalsContact C-N 3.3Å; K453-I455 PolarHBondContact O-N 3.43Å; K453-K456 WeakPolarHBondContact O-CB 3.14Å; K453-K456 PolarHBondContact O-N 3.16Å; K453-K456 VanDerWaalsContact O-N 3.16Å; K453-V457 PolarHBondContact O-N 3.23Å
454	L	87	Confident	85.8	Confident	19 Å²	19	60.9 Å²	60.9	10%	0.099	29%	0.287	C	S	.	.	H	α-helix	trans	-64.7	-35.7	-178.6	-57.3	-176.3	0	0	0	111.6	E379 V380 L440 P441 Q451 K456 V457 I458	E379-L454 HydrophobicContact CG-CD2 4.41Å; V380-L454 HydrophobicContact CG2-CB 3.85Å; V380-L454 HydrophobicContact CG2-CD1 4.37Å; V380-L454 HydrophobicContact CG2-CD2 3.62Å; V380-L454 HydrophobicContact CG2-CG 4.12Å; L440-L454 HydrophobicContact CD2-CB 4.11Å; L440-L454 HydrophobicContact CD2-CD1 3.85Å; P441-L454 HydrophobicContact CG-CD1 3.98Å; Q451-L454 HydrophobicContact CB-CG 4.37Å; Q451-L454 PolarHBondContact O-N 3.19Å; L454-K456 VanDerWaalsContact C-N 3.3Å; L454-K456 PolarHBondContact O-N 2.95Å; L454-V457 WeakPolarHBondContact O-CB 3.44Å; L454-V457 PolarHBondContact O-N 3.01Å; L454-V457 VanDerWaalsContact O-N 3.09Å; L454-I458 WeakPolarHBondContact O-CG1 3.45Å; L454-I458 PolarHBondContact O-N 2.77Å
455	I	86.8	Confident	86.5	Confident	7 Å²	7	61.7 Å²	61.7	4%	0.036	29%	0.285	C	S	.	.	H	α-helix	trans	-58.2	-42.4	174.8	-60.9	176.5	0	0	0	111	F420 D422 F423 L449 K453 V457 I458 K459	F420-I455 HydrophobicContact CD1-CD1 3.89Å; F420-I455 HydrophobicContact CE1-CD1 4.07Å; D422-I455 HydrophobicContact CB-CG2 3.98Å; F423-I455 HydrophobicContact CD2-CG2 3.82Å; F423-I455 HydrophobicContact CE2-CD1 4.45Å; F423-I455 HydrophobicContact CE2-CG1 4.22Å; F423-I455 HydrophobicContact CE2-CG2 3.82Å; L449-I455 HydrophobicContact CD1-CD1 3.93Å; L449-I455 HydrophobicContact CD1-CG1 3.64Å; K453-I455 VanDerWaalsContact C-N 3.3Å; K453-I455 PolarHBondContact O-N 3.43Å; I455-V457 VanDerWaalsContact C-N 3.29Å; I455-V457 PolarHBondContact O-N 2.86Å; I455-I458 PolarHBondContact O-N 3.18Å; I455-K459 WeakPolarHBondContact O-CB 3.35Å; I455-K459 PolarHBondContact O-N 3.5Å
456	K	88.3	Confident	87.3	Confident	123 Å²	123	61.2 Å²	61.2	54%	0.535	28%	0.282	S	S	.	.	H	α-helix	trans	-64.7	-33.7	178	-64.7	-176.2	179.9	-177.9	0	112.3	K453 L454 K460	K453-K456 WeakPolarHBondContact O-CB 3.14Å; K453-K456 PolarHBondContact O-N 3.16Å; K453-K456 VanDerWaalsContact O-N 3.16Å; L454-K456 VanDerWaalsContact C-N 3.3Å; L454-K456 PolarHBondContact O-N 2.95Å; K456-K460 WeakPolarHBondContact O-CG 3.3Å; K456-K460 PolarHBondContact O-N 3.18Å; K456-K460 VanDerWaalsContact O-N 3.16Å
457	V	91.2	Very high	88	Confident	32 Å²	32	60.5 Å²	60.5	19%	0.194	28%	0.279	C	S	.	.	H	α-helix	trans	-69.8	-44.7	175.9	179.2	0	0	0	0	110.5	K453 L454 I455 K460 K461	K453-V457 PolarHBondContact O-N 3.23Å; L454-V457 WeakPolarHBondContact O-CB 3.44Å; L454-V457 PolarHBondContact O-N 3.01Å; L454-V457 VanDerWaalsContact O-N 3.09Å; I455-V457 VanDerWaalsContact C-N 3.29Å; I455-V457 PolarHBondContact O-N 2.86Å; V457-K460 PolarHBondContact O-N 2.97Å; V457-K461 HydrophobicContact CG1-CD 4.4Å; V457-K461 PolarHBondContact O-N 3Å
458	I	92.4	Very high	88.9	Confident	0 Å²	0	61.4 Å²	61.4	0%	0	29%	0.285	C	S	.	.	H	α-helix	trans	-57.6	-53.9	173.4	-64.7	170.4	0	0	0	109.7	V380 F382 F423 V435 L440 L454 I455 K460 K461 L462	V380-I458 HydrophobicContact CG1-CD1 4.24Å; V380-I458 HydrophobicContact CG1-CG1 4.18Å; F382-I458 HydrophobicContact CD1-CG1 4.02Å; F382-I458 HydrophobicContact CE1-CB 4.22Å; F382-I458 HydrophobicContact CE1-CG1 3.79Å; F382-I458 HydrophobicContact CE1-CG2 4.19Å; F382-I458 HydrophobicContact CE2-CG2 4.39Å; F382-I458 HydrophobicContact CZ-CB 4.43Å; F382-I458 HydrophobicContact CZ-CG1 4.43Å; F382-I458 HydrophobicContact CZ-CG2 3.98Å; F423-I458 HydrophobicContact CD1-CG2 4.08Å; F423-I458 HydrophobicContact CE1-CG2 3.74Å; F423-I458 HydrophobicContact CZ-CD1 4.48Å; V435-I458 HydrophobicContact CG1-CG2 4.22Å; V435-I458 HydrophobicContact CG2-CG2 4.42Å; L440-I458 HydrophobicContact CD1-CD1 4.16Å; L440-I458 HydrophobicContact CD2-CD1 4.27Å; L454-I458 WeakPolarHBondContact O-CG1 3.45Å; L454-I458 PolarHBondContact O-N 2.77Å; I455-I458 PolarHBondContact O-N 3.18Å; I458-K460 VanDerWaalsContact C-N 3.34Å; I458-K460 PolarHBondContact O-N 2.8Å; I458-K461 WeakPolarHBondContact O-CA 3.39Å; I458-K461 WeakPolarHBondContact O-CB 3.44Å; I458-K461 PolarHBondContact O-N 3.03Å; I458-L462 HydrophobicContact CG2-CD1 4.01Å; I458-L462 HydrophobicContact CG2-CD2 4.27Å; I458-L462 HydrophobicContact CG2-CG 3.94Å; I458-L462 WeakPolarHBondContact O-CG 3.41Å; I458-L462 PolarHBondContact O-N 3Å
459	K	92.7	Very high	89.9	Confident	47 Å²	47	59.2 Å²	59.2	20%	0.204	27%	0.271	C	S	.	.	H	α-helix	trans	-47.3	-52.5	177.2	-177.2	-172.1	-149.8	160	0	112.3	D422 F423 I455 K461 L462 V463	D422-K459 WeakPolarHBondContact O-CB 3.48Å; D422-K459 WeakPolarHBondContact O-CD 3.31Å; D422-K459 WeakPolarHBondContact O-CE 3.32Å; D422-K459 VanDerWaalsContact O-CG 3.27Å; D422-K459 WeakPolarHBondContact O-CG 3.32Å; D422-K459 PolarHBondContact O-NZ 3.24Å; D422-K459 IonicContact OD1-NZ 2.87Å; D422-K459 PolarHBondContact OD1-NZ 3.46Å; F423-K459 WeakPolarHBondContact O-CG 3.46Å; I455-K459 WeakPolarHBondContact O-CB 3.35Å; I455-K459 PolarHBondContact O-N 3.5Å; K459-K461 VanDerWaalsContact C-N 3.31Å; K459-K461 PolarHBondContact O-N 2.92Å; K459-L462 PolarHBondContact O-N 3.18Å; K459-V463 HydrophobicContact CG-CG2 4.45Å; K459-V463 VanDerWaalsContact O-CG2 3.31Å; K459-V463 WeakPolarHBondContact O-CG2 3.33Å; K459-V463 PolarHBondContact O-N 2.91Å
460	K	93.2	Very high	90.8	Very high	157 Å²	157	58.8 Å²	58.8	68%	0.683	27%	0.269	S	S	*	.	H	α-helix	trans	-58.4	-41.4	179.3	-75.9	178.9	179.9	-178.8	0	112.4	K456 V457 I458 R464	K456-K460 WeakPolarHBondContact O-CG 3.3Å; K456-K460 PolarHBondContact O-N 3.18Å; K456-K460 VanDerWaalsContact O-N 3.16Å; V457-K460 PolarHBondContact O-N 2.97Å; I458-K460 VanDerWaalsContact C-N 3.34Å; I458-K460 PolarHBondContact O-N 2.8Å; K460-R464 WeakPolarHBondContact O-CB 3.14Å; K460-R464 PolarHBondContact O-N 3.49Å; K460-R464 VanDerWaalsContact O-N 3.1Å
461	K	95	Very high	91.7	Very high	45 Å²	45	60.9 Å²	60.9	20%	0.196	28%	0.276	C	S	.	.	H	α-helix	trans	-67.9	-44.1	177.5	-75.6	170.5	160.9	-167.3	0	111.4	A376 E377 V380 F382 V457 I458 K459 R464 K465	A376-K461 HydrophobicContact CB-CD 3.77Å; E377-K461 PolarHBondContact O-NZ 3.08Å; V380-K461 PolarHBondContact O-NZ 3.05Å; F382-K461 HydrophobicContact CE1-CB 4.32Å; F382-K461 HydrophobicContact CE1-CD 3.57Å; F382-K461 HydrophobicContact CZ-CB 3.85Å; F382-K461 HydrophobicContact CZ-CD 3.94Å; V457-K461 HydrophobicContact CG1-CD 4.4Å; V457-K461 PolarHBondContact O-N 3Å; I458-K461 WeakPolarHBondContact O-CA 3.39Å; I458-K461 WeakPolarHBondContact O-CB 3.44Å; I458-K461 PolarHBondContact O-N 3.03Å; K459-K461 VanDerWaalsContact C-N 3.31Å; K459-K461 PolarHBondContact O-N 2.92Å; K461-R464 PolarHBondContact O-N 3.01Å; K461-K465 WeakPolarHBondContact O-CG 3.01Å; K461-K465 PolarHBondContact O-N 3.22Å
462	L	95.8	Very high	92.8	Very high	0 Å²	0	64.4 Å²	64.4	0%	0	29%	0.29	C	S	.	.	H	α-helix	trans	-59.9	-52.7	176.9	-59.6	-170.7	0	0	0	111.3	F374 F382 L386 F423 M424 V435 I458 K459 R464 K465 L466	F374-L462 HydrophobicContact CE2-CD2 4.44Å; F374-L462 HydrophobicContact CZ-CD2 3.67Å; F382-L462 HydrophobicContact CE2-CD2 3.76Å; F382-L462 HydrophobicContact CZ-CD2 4.09Å; L386-L462 HydrophobicContact CD1-CB 4.18Å; L386-L462 HydrophobicContact CD1-CD2 4.29Å; L386-L462 HydrophobicContact CD2-CD2 4.4Å; F423-L462 HydrophobicContact CD1-CD1 3.99Å; M424-L462 HydrophobicContact SD-CB 3.88Å; M424-L462 HydrophobicContact SD-CD1 4.13Å; V435-L462 HydrophobicContact CG2-CD1 4.01Å; V435-L462 HydrophobicContact CG2-CD2 4.01Å; I458-L462 HydrophobicContact CG2-CD1 4.01Å; I458-L462 HydrophobicContact CG2-CD2 4.27Å; I458-L462 HydrophobicContact CG2-CG 3.94Å; I458-L462 WeakPolarHBondContact O-CG 3.41Å; I458-L462 PolarHBondContact O-N 3Å; K459-L462 PolarHBondContact O-N 3.18Å; L462-R464 VanDerWaalsContact C-N 3.33Å; L462-R464 PolarHBondContact O-N 2.64Å; L462-K465 PolarHBondContact O-N 2.77Å; L462-K465 VanDerWaalsContact O-N 3.17Å; L462-L466 PolarHBondContact O-N 3.5Å
463	V	96	Very high	93.8	Very high	5 Å²	5	59.9 Å²	59.9	3%	0.03	27%	0.265	C	S	.	.	H	α-helix	trans	-57.4	-46.3	179.4	174	0	0	0	0	110.8	M424 P425 L428 K459 K465 L466 L467	M424-V463 HydrophobicContact SD-CG2 4.49Å; P425-V463 VanDerWaalsContact CD-CG2 3.44Å; P425-V463 HydrophobicContact CG-CG2 3.84Å; L428-V463 HydrophobicContact CD1-CG1 4.16Å; L428-V463 HydrophobicContact CD1-CG2 4.14Å; K459-V463 HydrophobicContact CG-CG2 4.45Å; K459-V463 VanDerWaalsContact O-CG2 3.31Å; K459-V463 WeakPolarHBondContact O-CG2 3.33Å; K459-V463 PolarHBondContact O-N 2.91Å; V463-K465 PolarHBondContact O-N 3.42Å; V463-L466 PolarHBondContact O-N 3.27Å; V463-L467 HydrophobicContact CG1-CD1 4.06Å; V463-L467 HydrophobicContact CG1-CG 4.29Å; V463-L467 WeakPolarHBondContact O-CG 3.48Å; V463-L467 PolarHBondContact O-N 2.74Å
464	R	95.8	Very high	94.3	Very high	141 Å²	141	55.4 Å²	55.4	53%	0.532	25%	0.253	S	S	.	.	H	α-helix	trans	-58	-47.7	177.6	179.5	175.1	177.8	159.8	-0.8	112	K460 K461 L462 L466 L467 D468	K460-R464 WeakPolarHBondContact O-CB 3.14Å; K460-R464 PolarHBondContact O-N 3.49Å; K460-R464 VanDerWaalsContact O-N 3.1Å; K461-R464 PolarHBondContact O-N 3.01Å; L462-R464 VanDerWaalsContact C-N 3.33Å; L462-R464 PolarHBondContact O-N 2.64Å; R464-L466 VanDerWaalsContact C-N 3.33Å; R464-L466 PolarHBondContact O-N 3.27Å; R464-L467 PolarHBondContact O-N 3Å; R464-D468 WeakPolarHBondContact O-CB 3.27Å; R464-D468 PolarHBondContact O-N 2.98Å
465	K	96.7	Very high	94.6	Very high	78 Å²	78	57.9 Å²	57.9	34%	0.339	28%	0.276	S	S	.	.	H	α-helix	trans	-66.2	-36	-179.1	-70.4	-69.1	-173.5	-176.9	0	112.2	F374 K461 L462 V463 D468 L469	F374-K465 HydrophobicContact CB-CD 4.48Å; F374-K465 HydrophobicContact CD1-CB 3.98Å; F374-K465 HydrophobicContact CD1-CD 4.33Å; F374-K465 HydrophobicContact CD1-CG 3.92Å; F374-K465 HydrophobicContact CD2-CD 4.22Å; F374-K465 HydrophobicContact CD2-CG 3.83Å; F374-K465 HydrophobicContact CE1-CB 3.65Å; F374-K465 HydrophobicContact CE1-CG 3.82Å; F374-K465 HydrophobicContact CE2-CB 4.41Å; F374-K465 HydrophobicContact CE2-CG 3.73Å; F374-K465 HydrophobicContact CG-CB 4.49Å; F374-K465 HydrophobicContact CG-CD 4.07Å; F374-K465 HydrophobicContact CG-CG 3.92Å; F374-K465 HydrophobicContact CZ-CB 3.87Å; F374-K465 HydrophobicContact CZ-CG 3.71Å; K461-K465 WeakPolarHBondContact O-CG 3.01Å; K461-K465 PolarHBondContact O-N 3.22Å; L462-K465 PolarHBondContact O-N 2.77Å; L462-K465 VanDerWaalsContact O-N 3.17Å; V463-K465 PolarHBondContact O-N 3.42Å; K465-D468 PolarHBondContact O-N 3.14Å; K465-L469 PolarHBondContact O-N 3.14Å
466	L	96.9	Very high	95	Very high	0 Å²	0	62.1 Å²	62.1	0%	0	30%	0.299	C	S	.	.	H	α-helix	trans	-68.1	-45.7	175	-169.1	80.1	0	0	0	112.1	I388 M424 L428 V431 L462 V463 R464 D468 L469 L470	I388-L466 HydrophobicContact CD1-CD1 4.04Å; I388-L466 HydrophobicContact CG1-CD1 3.99Å; M424-L466 HydrophobicContact CE-CD2 4.01Å; L428-L466 HydrophobicContact CB-CD2 4.21Å; L428-L466 HydrophobicContact CD1-CD2 3.57Å; L428-L466 HydrophobicContact CD2-CD2 3.52Å; L428-L466 HydrophobicContact CG-CD2 3.94Å; V431-L466 HydrophobicContact CG1-CD1 4.13Å; V431-L466 HydrophobicContact CG2-CD1 4.01Å; V431-L466 HydrophobicContact CG2-CD2 3.48Å; V431-L466 VanDerWaalsContact CG2-CD2 3.48Å; V431-L466 HydrophobicContact CG2-CG 4.4Å; L462-L466 PolarHBondContact O-N 3.5Å; V463-L466 PolarHBondContact O-N 3.27Å; R464-L466 VanDerWaalsContact C-N 3.33Å; R464-L466 PolarHBondContact O-N 3.27Å; L466-D468 VanDerWaalsContact C-N 3.25Å; L466-D468 PolarHBondContact O-N 3.27Å; L466-L469 HydrophobicContact CD1-CD2 4.38Å; L466-L469 WeakPolarHBondContact O-CA 3.46Å; L466-L469 WeakPolarHBondContact O-CB 3.42Å; L466-L469 PolarHBondContact O-N 3.17Å; L466-L469 VanDerWaalsContact O-N 3.08Å; L466-L470 WeakPolarHBondContact O-CG 3.45Å; L466-L470 PolarHBondContact O-N 2.66Å
467	L	97.2	Very high	95.3	Very high	5 Å²	5	59.3 Å²	59.3	3%	0.026	29%	0.287	C	S	.	.	H	α-helix	trans	-63.2	-34.9	175.9	-63.9	-177.4	0	0	0	111.7	V463 R464 L470 K471 N499 R502 L503 L506	V463-L467 HydrophobicContact CG1-CD1 4.06Å; V463-L467 HydrophobicContact CG1-CG 4.29Å; V463-L467 WeakPolarHBondContact O-CG 3.48Å; V463-L467 PolarHBondContact O-N 2.74Å; R464-L467 PolarHBondContact O-N 3Å; L467-L470 HydrophobicContact CD2-CD1 4.24Å; L467-L470 PolarHBondContact O-N 3.4Å; L467-K471 WeakPolarHBondContact O-CB 3.26Å; L467-K471 PolarHBondContact O-N 2.99Å; L467-N499 HydrophobicContact CD1-CB 3.83Å; L467-R502 HydrophobicContact CD1-CB 4.09Å; L467-L503 HydrophobicContact CD1-CD2 4.46Å; L467-L503 HydrophobicContact CD2-CD2 3.6Å; L467-L503 HydrophobicContact CD2-CG 4.48Å; L467-L506 HydrophobicContact CD2-CD1 4.09Å
468	D	97	Very high	95.6	Very high	46 Å²	46	58.6 Å²	58.6	25%	0.246	28%	0.281	C	S	.	.	H	α-helix	trans	-67.3	-35	173	-68.5	-16.3	0	0	0	111.8	R464 K465 L466 K472 R502	R464-D468 WeakPolarHBondContact O-CB 3.27Å; R464-D468 PolarHBondContact O-N 2.98Å; K465-D468 PolarHBondContact O-N 3.14Å; L466-D468 VanDerWaalsContact C-N 3.25Å; L466-D468 PolarHBondContact O-N 3.27Å; D468-K472 VanDerWaalsContact O-CG 3.31Å; D468-K472 WeakPolarHBondContact O-CG 3.47Å; D468-K472 PolarHBondContact O-N 3.08Å; D468-R502 IonicContact OD1-NH1 2.76Å; D468-R502 PolarHBondContact OD1-NH1 3.17Å; D468-R502 VanDerWaalsContact OD1-NH1 3.08Å
469	L	97.3	Very high	95.7	Very high	27 Å²	27	65.4 Å²	65.4	14%	0.141	31%	0.313	C	S	.	.	H	α-helix	trans	-64.2	-51.7	171.6	172.7	66	0	0	0	110.7	A370 Y371 T372 I388 K465 L466 K471 K472 L473	A370-L469 HydrophobicContact CB-CD1 4.45Å; A370-L469 HydrophobicContact CB-CD2 4.23Å; Y371-L469 WeakPolarHBondContact O-CD1 3.3Å; T372-L469 HydrophobicContact CG2-CB 4.36Å; T372-L469 HydrophobicContact CG2-CD2 4Å; I388-L469 HydrophobicContact CD1-CD2 3.92Å; I388-L469 HydrophobicContact CG1-CD2 4.43Å; K465-L469 PolarHBondContact O-N 3.14Å; L466-L469 HydrophobicContact CD1-CD2 4.38Å; L466-L469 WeakPolarHBondContact O-CA 3.46Å; L466-L469 WeakPolarHBondContact O-CB 3.42Å; L466-L469 PolarHBondContact O-N 3.17Å; L466-L469 VanDerWaalsContact O-N 3.08Å; L469-K471 VanDerWaalsContact C-N 3.28Å; L469-K471 PolarHBondContact O-N 3.05Å; L469-K472 CarbonylContact O-C 3.59Å; L469-K472 WeakPolarHBondContact O-CA 3.49Å; L469-K472 PolarHBondContact O-N 3.36Å; L469-L473 HydrophobicContact CD1-CD2 4.37Å; L469-L473 PolarHBondContact O-N 3.26Å; L469-L473 VanDerWaalsContact O-N 3.17Å
470	L	97.4	Very high	95.9	Very high	2 Å²	2	69.3 Å²	69.3	1%	0.01	33%	0.326	C	S	.	.	H	α-helix	trans	-57.7	-40.6	-179.7	-68.6	178.7	0	0	0	112.2	I388 L466 L467 K472 L473 F481 L489 L506	I388-L470 HydrophobicContact CD1-CD2 3.52Å; I388-L470 HydrophobicContact CD1-CG 4.4Å; L466-L470 WeakPolarHBondContact O-CG 3.45Å; L466-L470 PolarHBondContact O-N 2.66Å; L467-L470 HydrophobicContact CD2-CD1 4.24Å; L467-L470 PolarHBondContact O-N 3.4Å; L470-K472 PolarHBondContact O-N 3.27Å; L470-L473 HydrophobicContact CD2-CD1 3.83Å; L470-L473 PolarHBondContact O-N 3.37Å; L470-F481 HydrophobicContact CD1-CE1 4.26Å; L470-F481 HydrophobicContact CD1-CE2 4.48Å; L470-F481 HydrophobicContact CD1-CZ 3.82Å; L470-F481 HydrophobicContact CD2-CD1 4.06Å; L470-F481 HydrophobicContact CD2-CD2 3.82Å; L470-F481 HydrophobicContact CD2-CE1 3.77Å; L470-F481 HydrophobicContact CD2-CE2 3.5Å; L470-F481 VanDerWaalsContact CD2-CE2 3.5Å; L470-F481 HydrophobicContact CD2-CG 4.1Å; L470-F481 HydrophobicContact CD2-CZ 3.47Å; L470-F481 VanDerWaalsContact CD2-CZ 3.47Å; L470-F481 HydrophobicContact CG-CZ 4.31Å; L470-L489 HydrophobicContact CD1-CD1 4.32Å; L470-L489 HydrophobicContact CD1-CD2 4.09Å; L470-L506 HydrophobicContact CB-CD1 3.86Å; L470-L506 HydrophobicContact CB-CD2 4.25Å; L470-L506 HydrophobicContact CD1-CD1 4Å
471	K	95.9	Very high	96.1	Very high	163 Å²	163	61.8 Å²	61.8	71%	0.709	29%	0.294	S	S	*	.	H	α-helix	trans	-62.1	-28.3	175.7	-175.4	-178.7	176.5	-172.2	0	113	L467 L469 L506	L467-K471 WeakPolarHBondContact O-CB 3.26Å; L467-K471 PolarHBondContact O-N 2.99Å; L469-K471 VanDerWaalsContact C-N 3.28Å; L469-K471 PolarHBondContact O-N 3.05Å; K471-L506 HydrophobicContact CB-CD2 4.36Å
472	K	96.2	Very high	96.2	Very high	173 Å²	173	60.8 Å²	60.8	75%	0.752	29%	0.289	S	S	*	.	T	Hydrogen-bonded Turn	trans	-98.7	-0.2	-175.6	-70	177.1	-179.9	-175.2	0	113.6	D468 L469 L470	D468-K472 VanDerWaalsContact O-CG 3.31Å; D468-K472 WeakPolarHBondContact O-CG 3.47Å; D468-K472 PolarHBondContact O-N 3.08Å; L469-K472 CarbonylContact O-C 3.59Å; L469-K472 WeakPolarHBondContact O-CA 3.49Å; L469-K472 PolarHBondContact O-N 3.36Å; L470-K472 PolarHBondContact O-N 3.27Å
473	L	96.2	Very high	96.2	Very high	23 Å²	23	69.1 Å²	69.1	12%	0.12	33%	0.325	C	S	.	.			trans	-62.5	136.8	178.4	-72	179.1	0	0	0	110.4	A370 L469 L470 F478 F481	A370-L473 HydrophobicContact CB-CD2 3.54Å; L469-L473 HydrophobicContact CD1-CD2 4.37Å; L469-L473 PolarHBondContact O-N 3.26Å; L469-L473 VanDerWaalsContact O-N 3.17Å; L470-L473 HydrophobicContact CD2-CD1 3.83Å; L470-L473 PolarHBondContact O-N 3.37Å; L473-F478 HydrophobicContact CB-CB 4.15Å; L473-F478 HydrophobicContact CB-CD2 4.3Å; L473-F478 HydrophobicContact CD1-CD2 4.31Å; L473-F481 HydrophobicContact CD1-CB 4.27Å; L473-F481 HydrophobicContact CD1-CG 4.38Å
474	P	96	Very high	96.2	Very high	70 Å²	70	71.6 Å²	71.6	46%	0.455	34%	0.336	S	S	.	.			trans	-54.2	151.9	165.1	-26.3	36.4	0	0	0	111.6	D476 K477 F478	P474-D476 VanDerWaalsContact C-N 3.33Å; P474-D476 WeakPolarHBondContact CB-OD1 3.29Å; P474-D476 PolarHBondContact O-N 3.38Å; P474-K477 PolarHBondContact O-N 3.44Å; P474-F478 WeakPolarHBondContact O-CB 3.32Å; P474-F478 PolarHBondContact O-N 3.31Å
475	A	93.6	Very high	96.3	Very high	72 Å²	72	64.9 Å²	64.9	60%	0.595	31%	0.311	S	S	*	.	H	α-helix	trans	-56.9	-43.8	-173.9	0	0	0	0	0	112.8	F478 E479	A475-F478 PolarHBondContact O-N 3.34Å; A475-E479 WeakPolarHBondContact O-CG 3.49Å; A475-E479 PolarHBondContact O-N 3.23Å
476	D	93.9	Very high	96.2	Very high	96 Å²	96	61.3 Å²	61.3	51%	0.513	30%	0.296	S	S	.	.	H	α-helix	trans	-61.9	-43.5	177.8	62.4	-61.1	0	0	0	112.6	P474 R480	P474-D476 VanDerWaalsContact C-N 3.33Å; P474-D476 WeakPolarHBondContact CB-OD1 3.29Å; P474-D476 PolarHBondContact O-N 3.38Å; D476-R480 PolarHBondContact O-N 2.68Å
477	K	95.7	Very high	96.1	Very high	64 Å²	64	64.2 Å²	64.2	28%	0.278	31%	0.312	S	S	.	.	H	α-helix	trans	-69.6	-35.7	175.2	-68.7	-165.5	176.8	-167.9	0	111.6	L369 P474 R480 F481	L369-K477 HydrophobicContact CD1-CB 4.35Å; L369-K477 HydrophobicContact CD1-CG 4.5Å; P474-K477 PolarHBondContact O-N 3.44Å; K477-R480 PolarHBondContact O-N 3.21Å; K477-F481 WeakPolarHBondContact O-CB 3.3Å; K477-F481 PolarHBondContact O-N 3.42Å
478	F	96.7	Very high	96	Very high	17 Å²	17	64.2 Å²	64.2	8%	0.075	31%	0.312	C	S	.	.	H	α-helix	trans	-68.3	-38	178.1	-170.4	-90.7	0	0	0	111.9	L473 P474 A475 F481 W482 L506 R508	L473-F478 HydrophobicContact CB-CB 4.15Å; L473-F478 HydrophobicContact CB-CD2 4.3Å; L473-F478 HydrophobicContact CD1-CD2 4.31Å; P474-F478 WeakPolarHBondContact O-CB 3.32Å; P474-F478 PolarHBondContact O-N 3.31Å; A475-F478 PolarHBondContact O-N 3.34Å; F478-F481 HydrophobicContact CD2-CD1 4.38Å; F478-F481 HydrophobicContact CE2-CD1 4.17Å; F478-F481 WeakPolarHBondContact O-CB 3.35Å; F478-F481 PolarHBondContact O-N 3.28Å; F478-W482 HydrophobicContact CE1-CB 4.4Å; F478-W482 HydrophobicContact CE1-CE3 4.16Å; F478-W482 HydrophobicContact CZ-CE3 4.11Å; F478-W482 VanDerWaalsContact O-CB 3.27Å; F478-W482 WeakPolarHBondContact O-CB 3.22Å; F478-W482 PolarHBondContact O-N 2.98Å; F478-L506 HydrophobicContact CE2-CD2 4.19Å; F478-L506 HydrophobicContact CZ-CB 4.43Å; F478-L506 WeakPolarHBondContact CZ-O 3.23Å; F478-R508 HydrophobicContact CE1-CG 3.85Å
479	E	95.1	Very high	96	Very high	142 Å²	142	62 Å²	62	66%	0.664	30%	0.301	S	S	*	.	H	α-helix	trans	-62.4	-44.6	174.4	-75.8	177.2	-173.1	0	0	111.8	A475 W482 K483	A475-E479 WeakPolarHBondContact O-CG 3.49Å; A475-E479 PolarHBondContact O-N 3.23Å; E479-W482 PolarHBondContact O-N 2.85Å; E479-K483 PolarHBondContact O-N 2.82Å
480	R	95.9	Very high	96	Very high	129 Å²	129	60.9 Å²	60.9	49%	0.487	30%	0.295	S	S	.	.	H	α-helix	trans	-60	-48.4	172.7	-70.5	173.2	65.4	170.2	7	111.6	L369 D390 D476 K477 W482 K483 E484	L369-R480 HydrophobicContact CD1-CB 4.08Å; D390-R480 IonicContact OD1-CZ 3.85Å; D390-R480 VanDerWaalsContact OD1-CZ 3.3Å; D390-R480 IonicContact OD1-NE 3.78Å; D390-R480 PolarHBondContact OD1-NE 2.84Å; D390-R480 IonicContact OD1-NH2 3.14Å; D390-R480 PolarHBondContact OD1-NH2 3.42Å; D390-R480 IonicContact OD2-CZ 2.68Å; D390-R480 IonicContact OD2-NH2 3.3Å; D390-R480 PolarHBondContact OD2-NH2 3.02Å; D476-R480 PolarHBondContact O-N 2.68Å; K477-R480 PolarHBondContact O-N 3.21Å; R480-W482 VanDerWaalsContact C-N 3.3Å; R480-W482 PolarHBondContact O-N 2.84Å; R480-K483 PolarHBondContact O-N 2.97Å; R480-E484 PolarHBondContact O-N 3.26Å
481	F	97.9	Very high	95.9	Very high	0 Å²	0	63 Å²	63	0%	0	31%	0.305	C	S	.	.	H	α-helix	trans	-55.5	-46.1	174.9	170.8	-97.6	0	0	0	111.8	L369 I388 F430 L470 L473 K477 F478 K483 E484 Y485 L489	L369-F481 HydrophobicContact CD2-CB 3.57Å; L369-F481 HydrophobicContact CD2-CD2 4.28Å; L369-F481 HydrophobicContact CD2-CG 4.43Å; I388-F481 HydrophobicContact CD1-CD2 4.45Å; I388-F481 HydrophobicContact CD1-CE2 4.38Å; I388-F481 HydrophobicContact CG2-CD2 3.95Å; I388-F481 HydrophobicContact CG2-CE2 4.21Å; F430-F481 HydrophobicContact CE2-CE2 4.17Å; F430-F481 HydrophobicContact CZ-CE2 4.06Å; F430-F481 HydrophobicContact CZ-CZ 4.39Å; L470-F481 HydrophobicContact CD1-CE1 4.26Å; L470-F481 HydrophobicContact CD1-CE2 4.48Å; L470-F481 HydrophobicContact CD1-CZ 3.82Å; L470-F481 HydrophobicContact CD2-CD1 4.06Å; L470-F481 HydrophobicContact CD2-CD2 3.82Å; L470-F481 HydrophobicContact CD2-CE1 3.77Å; L470-F481 HydrophobicContact CD2-CE2 3.5Å; L470-F481 VanDerWaalsContact CD2-CE2 3.5Å; L470-F481 HydrophobicContact CD2-CG 4.1Å; L470-F481 HydrophobicContact CD2-CZ 3.47Å; L470-F481 VanDerWaalsContact CD2-CZ 3.47Å; L470-F481 HydrophobicContact CG-CZ 4.31Å; L473-F481 HydrophobicContact CD1-CB 4.27Å; L473-F481 HydrophobicContact CD1-CG 4.38Å; K477-F481 WeakPolarHBondContact O-CB 3.3Å; K477-F481 PolarHBondContact O-N 3.42Å; F478-F481 HydrophobicContact CD2-CD1 4.38Å; F478-F481 HydrophobicContact CE2-CD1 4.17Å; F478-F481 WeakPolarHBondContact O-CB 3.35Å; F478-F481 PolarHBondContact O-N 3.28Å; F481-K483 VanDerWaalsContact C-N 3.33Å; F481-K483 PolarHBondContact O-N 3.37Å; F481-E484 PolarHBondContact O-N 3.09Å; F481-Y485 AromaticContact CD2-CD2 3.55Å; F481-Y485 HydrophobicContact CD2-CD2 3.55Å; F481-Y485 HydrophobicContact CD2-CE2 4.4Å; F481-Y485 HydrophobicContact CD2-CG 4.3Å; F481-Y485 AromaticContact CE2-CD2 3.61Å; F481-Y485 HydrophobicContact CE2-CD2 3.61Å; F481-Y485 AromaticContact CE2-CG 3.95Å; F481-Y485 HydrophobicContact CE2-CG 3.95Å; F481-Y485 HydrophobicContact CG-CD2 4.47Å; F481-Y485 PolarHBondContact O-N 2.96Å; F481-L489 HydrophobicContact CE1-CD1 3.53Å; F481-L489 HydrophobicContact CE1-CG 4.02Å; F481-L489 HydrophobicContact CZ-CD1 3.93Å; F481-L489 HydrophobicContact CZ-CD2 4.22Å; F481-L489 HydrophobicContact CZ-CG 3.99Å
482	W	97.2	Very high	95.8	Very high	24 Å²	24	55.2 Å²	55.2	9%	0.091	27%	0.271	C	S	.	.	H	α-helix	trans	-64.8	-38.4	-175.8	-174.9	-95.2	0	0	0	111.9	F478 E479 R480 E484 G486 L489 K490 L506 I507 R508 L518	F478-W482 HydrophobicContact CE1-CB 4.4Å; F478-W482 HydrophobicContact CE1-CE3 4.16Å; F478-W482 HydrophobicContact CZ-CE3 4.11Å; F478-W482 VanDerWaalsContact O-CB 3.27Å; F478-W482 WeakPolarHBondContact O-CB 3.22Å; F478-W482 PolarHBondContact O-N 2.98Å; E479-W482 PolarHBondContact O-N 2.85Å; R480-W482 VanDerWaalsContact C-N 3.3Å; R480-W482 PolarHBondContact O-N 2.84Å; W482-E484 VanDerWaalsContact C-N 3.3Å; W482-E484 PolarHBondContact O-N 3.39Å; W482-G486 VanDerWaalsContact O-CA 3.23Å; W482-G486 WeakPolarHBondContact O-CA 3.27Å; W482-G486 PolarHBondContact O-N 2.96Å; W482-L489 HydrophobicContact CZ3-CB 4.49Å; W482-L489 HydrophobicContact CZ3-CD1 4.25Å; W482-K490 HydrophobicContact CH2-CG 4.39Å; W482-L506 VanDerWaalsContact CZ3-O 3.23Å; W482-L506 WeakPolarHBondContact CZ3-O 3.5Å; W482-I507 HydrophobicContact CH2-CB 4.23Å; W482-I507 HydrophobicContact CH2-CD1 3.96Å; W482-I507 HydrophobicContact CH2-CG2 3.97Å; W482-I507 HydrophobicContact CZ3-CD1 4.26Å; W482-R508 HydrophobicContact CD2-CB 3.96Å; W482-R508 HydrophobicContact CD2-CG 4.02Å; W482-R508 HydrophobicContact CE3-CB 4.36Å; W482-R508 HydrophobicContact CE3-CG 4.13Å; W482-R508 HydrophobicContact CH2-CB 4.29Å; W482-R508 HydrophobicContact CZ2-CB 3.81Å; W482-R508 VanDerWaalsContact CZ2-N 3.34Å; W482-R508 WeakPolarHBondContact CZ2-O 3.45Å; W482-R508 HydrophobicContact CZ3-CG 4.48Å; W482-L518 HydrophobicContact CG-CD1 4.29Å
483	K	95.5	Very high	95.9	Very high	174 Å²	174	47 Å²	47	76%	0.757	24%	0.235	S	C	*	.	H	α-helix	trans	-60.3	-39.5	176.3	-172.9	-178.7	176.4	-173.9	0	112.4	E479 R480 F481	E479-K483 PolarHBondContact O-N 2.82Å; R480-K483 PolarHBondContact O-N 2.97Å; F481-K483 VanDerWaalsContact C-N 3.33Å; F481-K483 PolarHBondContact O-N 3.37Å
484	E	96	Very high	95.7	Very high	58 Å²	58	48.7 Å²	48.7	27%	0.271	24%	0.242	S	C	.	.	H	α-helix	trans	-87.4	-38.7	-176.2	-61.6	-63.5	140.6	0	0	113	A392 R480 F481 W482	A392-E484 HydrophobicContact CB-CB 4.33Å; A392-E484 PolarHBondContact N-OE2 3.46Å; R480-E484 PolarHBondContact O-N 3.26Å; F481-E484 PolarHBondContact O-N 3.09Å; W482-E484 VanDerWaalsContact C-N 3.3Å; W482-E484 PolarHBondContact O-N 3.39Å
485	Y	96.9	Very high	95.5	Very high	0 Å²	0	48.8 Å²	48.8	0%	0	24%	0.236	C	C	.	.	H	α-helix	trans	-126.2	5.8	-167.9	-53.8	-68.7	0	0	0	114.6	I388 P389 K391 A392 L396 F430 F481 N487 A488 L489	I388-Y485 HydrophobicContact CG2-CD2 4.27Å; I388-Y485 HydrophobicContact CG2-CE2 3.86Å; P389-Y485 WeakPolarHBondContact CB-OH 3.42Å; P389-Y485 WeakPolarHBondContact O-CE2 3.49Å; P389-Y485 PolarHBondContact O-OH 3.42Å; K391-Y485 VanDerWaalsContact C-OH 3.26Å; K391-Y485 PolarHBondContact O-OH 2.87Å; A392-Y485 HydrophobicContact CB-CD1 4.35Å; A392-Y485 HydrophobicContact CB-CE1 3.78Å; A392-Y485 PolarHBondContact N-OH 3.3Å; L396-Y485 HydrophobicContact CD2-CD1 4.05Å; L396-Y485 HydrophobicContact CD2-CE1 4.13Å; F430-Y485 HydrophobicContact CB-CD1 4.11Å; F430-Y485 HydrophobicContact CB-CE1 3.57Å; F430-Y485 AromaticContact CD1-CD1 3.5Å; F430-Y485 HydrophobicContact CD1-CD1 3.5Å; F430-Y485 AromaticContact CD1-CE1 3.89Å; F430-Y485 HydrophobicContact CD1-CE1 3.89Å; F430-Y485 HydrophobicContact CD1-CG 4.25Å; F430-Y485 AromaticContact CD2-CD1 3.8Å; F430-Y485 HydrophobicContact CD2-CD1 3.8Å; F430-Y485 HydrophobicContact CD2-CD2 4.47Å; F430-Y485 AromaticContact CD2-CE1 3.65Å; F430-Y485 HydrophobicContact CD2-CE1 3.65Å; F430-Y485 HydrophobicContact CD2-CE2 4.32Å; F430-Y485 HydrophobicContact CD2-CG 4.21Å; F430-Y485 AromaticContact CD2-CZ 3.91Å; F430-Y485 AromaticContact CE1-CD1 3.75Å; F430-Y485 HydrophobicContact CE1-CD1 3.75Å; F430-Y485 HydrophobicContact CE1-CE1 4.49Å; F430-Y485 HydrophobicContact CE1-CG 4.05Å; F430-Y485 HydrophobicContact CE2-CD1 4.05Å; F430-Y485 HydrophobicContact CE2-CD2 4.27Å; F430-Y485 HydrophobicContact CE2-CE1 4.3Å; F430-Y485 HydrophobicContact CE2-CE2 4.47Å; F430-Y485 HydrophobicContact CE2-CG 4.03Å; F430-Y485 AromaticContact CG-CD1 3.53Å; F430-Y485 HydrophobicContact CG-CD1 3.53Å; F430-Y485 AromaticContact CG-CE1 3.42Å; F430-Y485 HydrophobicContact CG-CE1 3.42Å; F430-Y485 VanDerWaalsContact CG-CE1 3.42Å; F430-Y485 HydrophobicContact CG-CG 4.33Å; F430-Y485 HydrophobicContact CZ-CD1 4.03Å; F430-Y485 AromaticContact CZ-CG 3.95Å; F430-Y485 HydrophobicContact CZ-CG 3.95Å; F481-Y485 AromaticContact CD2-CD2 3.55Å; F481-Y485 HydrophobicContact CD2-CD2 3.55Å; F481-Y485 HydrophobicContact CD2-CE2 4.4Å; F481-Y485 HydrophobicContact CD2-CG 4.3Å; F481-Y485 AromaticContact CE2-CD2 3.61Å; F481-Y485 HydrophobicContact CE2-CD2 3.61Å; F481-Y485 AromaticContact CE2-CG 3.95Å; F481-Y485 HydrophobicContact CE2-CG 3.95Å; F481-Y485 HydrophobicContact CG-CD2 4.47Å; F481-Y485 PolarHBondContact O-N 2.96Å; Y485-N487 VanDerWaalsContact C-N 3.28Å; Y485-N487 PolarHBondContact O-N 3.46Å; Y485-A488 WeakPolarHBondContact O-CA 3.41Å; Y485-A488 WeakPolarHBondContact O-CB 3.43Å; Y485-A488 PolarHBondContact O-N 3.21Å; Y485-L489 PolarHBondContact O-N 2.91Å; Y485-L489 VanDerWaalsContact O-N 3.08Å
486	G	96.4	Very high	95.5	Very high	3 Å²	3	46.4 Å²	46.4	3%	0.031	21%	0.214	C	C	.	.	H	α-helix	trans	-56.1	-42.2	179.5	0	0	0	0	0	112.5	W482 A488 L489 K490	W482-G486 VanDerWaalsContact O-CA 3.23Å; W482-G486 WeakPolarHBondContact O-CA 3.27Å; W482-G486 PolarHBondContact O-N 2.96Å; G486-A488 VanDerWaalsContact C-N 3.34Å; G486-A488 PolarHBondContact O-N 3.44Å; G486-L489 PolarHBondContact O-N 3.38Å; G486-K490 WeakPolarHBondContact O-CG 3.49Å; G486-K490 PolarHBondContact O-N 2.95Å
487	N	94.8	Very high	95.6	Very high	61 Å²	61	45.7 Å²	45.7	33%	0.326	21%	0.214	S	C	.	.	H	α-helix	trans	-64.5	-37.2	175.4	-73.6	-17.7	0	0	0	112.5	Y485 L489 K490 M491 V569	Y485-N487 VanDerWaalsContact C-N 3.28Å; Y485-N487 PolarHBondContact O-N 3.46Å; N487-L489 PolarHBondContact O-N 3.43Å; N487-K490 WeakPolarHBondContact O-CB 3.45Å; N487-K490 PolarHBondContact O-N 2.83Å; N487-M491 WeakPolarHBondContact O-CG 3.32Å; N487-M491 PolarHBondContact O-N 3.46Å; N487-V569 HydrophobicContact CB-CG1 4.37Å
488	A	95	Very high	95.5	Very high	5 Å²	5	48.7 Å²	48.7	4%	0.041	24%	0.238	C	C	.	.	H	α-helix	trans	-61.9	-44.5	174.5	0	0	0	0	0	110.8	Y397 Y427 F430 Y485 G486 K490 M491 G492	Y397-A488 PolarHBondContact OH-N 3.18Å; Y427-A488 WeakPolarHBondContact CB-O 3.42Å; Y427-A488 WeakPolarHBondContact O-CB 3.38Å; F430-A488 HydrophobicContact CD1-CB 4.37Å; F430-A488 HydrophobicContact CE1-CB 3.91Å; Y485-A488 WeakPolarHBondContact O-CA 3.41Å; Y485-A488 WeakPolarHBondContact O-CB 3.43Å; Y485-A488 PolarHBondContact O-N 3.21Å; G486-A488 VanDerWaalsContact C-N 3.34Å; G486-A488 PolarHBondContact O-N 3.44Å; A488-K490 VanDerWaalsContact C-N 3.32Å; A488-K490 PolarHBondContact O-N 2.86Å; A488-M491 WeakPolarHBondContact O-CB 3.43Å; A488-M491 PolarHBondContact O-N 3.34Å; A488-M491 VanDerWaalsContact O-N 3.16Å; A488-G492 PolarHBondContact O-N 3.34Å
489	L	96.7	Very high	95.5	Very high	0 Å²	0	49.3 Å²	49.3	0%	0	24%	0.242	C	C	.	.	H	α-helix	trans	-62	-38.2	175.4	-67.8	-163.4	0	0	0	113.2	Y427 L428 L470 F481 W482 Y485 G486 N487 M491 G492 V493 L503 L506 I507	Y427-L489 HydrophobicContact CD2-CD2 4.5Å; L428-L489 HydrophobicContact CD2-CD2 4.29Å; L470-L489 HydrophobicContact CD1-CD1 4.32Å; L470-L489 HydrophobicContact CD1-CD2 4.09Å; F481-L489 HydrophobicContact CE1-CD1 3.53Å; F481-L489 HydrophobicContact CE1-CG 4.02Å; F481-L489 HydrophobicContact CZ-CD1 3.93Å; F481-L489 HydrophobicContact CZ-CD2 4.22Å; F481-L489 HydrophobicContact CZ-CG 3.99Å; W482-L489 HydrophobicContact CZ3-CB 4.49Å; W482-L489 HydrophobicContact CZ3-CD1 4.25Å; Y485-L489 PolarHBondContact O-N 2.91Å; Y485-L489 VanDerWaalsContact O-N 3.08Å; G486-L489 PolarHBondContact O-N 3.38Å; N487-L489 PolarHBondContact O-N 3.43Å; L489-M491 VanDerWaalsContact C-N 3.33Å; L489-M491 PolarHBondContact O-N 2.71Å; L489-G492 PolarHBondContact O-N 3.23Å; L489-G492 VanDerWaalsContact O-N 3.15Å; L489-V493 PolarHBondContact O-N 2.72Å; L489-L503 HydrophobicContact CD2-CD2 4.11Å; L489-L506 HydrophobicContact CD1-CB 3.85Å; L489-L506 HydrophobicContact CD1-CD1 4.14Å; L489-I507 HydrophobicContact CB-CD1 3.99Å
490	K	96.7	Very high	95.5	Very high	3 Å²	3	45.5 Å²	45.5	1%	0.013	22%	0.221	C	C	.	.	H	α-helix	trans	-61.7	-40	174.6	-66.6	171.7	-172	-178.2	0	111.7	W482 G486 N487 A488 G492 V493 F494 I507 D567 V569 D570 C573	W482-K490 HydrophobicContact CH2-CG 4.39Å; G486-K490 WeakPolarHBondContact O-CG 3.49Å; G486-K490 PolarHBondContact O-N 2.95Å; N487-K490 WeakPolarHBondContact O-CB 3.45Å; N487-K490 PolarHBondContact O-N 2.83Å; A488-K490 VanDerWaalsContact C-N 3.32Å; A488-K490 PolarHBondContact O-N 2.86Å; K490-G492 VanDerWaalsContact C-N 3.34Å; K490-V493 WeakPolarHBondContact O-CB 3.41Å; K490-V493 PolarHBondContact O-N 2.98Å; K490-F494 VanDerWaalsContact O-CD1 3.24Å; K490-F494 WeakPolarHBondContact O-CD1 3.36Å; K490-I507 HydrophobicContact CG-CD1 3.98Å; K490-D567 IonicContact NZ-OD2 3.24Å; K490-D567 PolarHBondContact NZ-OD2 3.37Å; K490-V569 HydrophobicContact CB-CG1 3.92Å; K490-V569 HydrophobicContact CB-CG2 3.96Å; K490-V569 HydrophobicContact CD-CG1 3.57Å; K490-V569 HydrophobicContact CG-CG1 4.41Å; K490-D570 WeakPolarHBondContact CD-OD1 3.16Å; K490-D570 WeakPolarHBondContact CE-OD1 3.49Å; K490-D570 IonicContact NZ-OD1 3.26Å; K490-D570 PolarHBondContact NZ-OD1 2.92Å; K490-D570 IonicContact NZ-OD2 3.44Å; K490-C573 HydrophobicContact CB-CB 4.1Å
491	M	94.4	Very high	95.4	Very high	46 Å²	46	44.1 Å²	44.1	23%	0.227	23%	0.228	C	C	.	.	H	α-helix	trans	-59.5	-45.5	171	-60.8	-67.1	-61.9	0	0	111.3	Y400 N487 A488 L489 V493 F494 E495 V569	Y400-M491 HydrophobicContact CE1-CE 4.49Å; N487-M491 WeakPolarHBondContact O-CG 3.32Å; N487-M491 PolarHBondContact O-N 3.46Å; A488-M491 WeakPolarHBondContact O-CB 3.43Å; A488-M491 PolarHBondContact O-N 3.34Å; A488-M491 VanDerWaalsContact O-N 3.16Å; L489-M491 VanDerWaalsContact C-N 3.33Å; L489-M491 PolarHBondContact O-N 2.71Å; M491-V493 PolarHBondContact O-N 3.24Å; M491-F494 VanDerWaalsContact CA-CE1 3.46Å; M491-F494 HydrophobicContact CB-CE1 4.4Å; M491-F494 HydrophobicContact CB-CZ 4.2Å; M491-F494 HydrophobicContact CE-CE1 4.46Å; M491-F494 HydrophobicContact CE-CE2 3.68Å; M491-F494 HydrophobicContact CE-CZ 3.37Å; M491-F494 HydrophobicContact CG-CZ 4.31Å; M491-F494 WeakPolarHBondContact O-CD1 3.23Å; M491-F494 WeakPolarHBondContact O-CG 3.42Å; M491-F494 PolarHBondContact O-N 3.5Å; M491-F494 VanDerWaalsContact O-N 3.14Å; M491-F494 HydrophobicContact SD-CE1 3.86Å; M491-F494 HydrophobicContact SD-CE2 4.17Å; M491-F494 HydrophobicContact SD-CZ 3.26Å; M491-F494 WeakPolarHBondContact SD-CZ 3.47Å; M491-E495 WeakPolarHBondContact CE-OE1 3.49Å; M491-E495 WeakPolarHBondContact O-CG 3.39Å; M491-E495 PolarHBondContact O-N 3.03Å; M491-V569 HydrophobicContact CG-CG2 4.18Å; M491-V569 HydrophobicContact SD-CG2 3.5Å; M491-V569 WeakPolarHBondContact SD-CG2 3.27Å
492	G	95.7	Very high	95.3	Very high	0 Å²	0	48.8 Å²	48.8	0%	0	25%	0.245	C	C	.	.	H	α-helix	trans	-56.7	-33.4	178.9	0	0	0	0	0	113.9	A488 L489 K490 F494 E495 D496 L503	A488-G492 PolarHBondContact O-N 3.34Å; L489-G492 PolarHBondContact O-N 3.23Å; L489-G492 VanDerWaalsContact O-N 3.15Å; K490-G492 VanDerWaalsContact C-N 3.34Å; G492-F494 VanDerWaalsContact C-N 3.25Å; G492-F494 PolarHBondContact O-N 2.93Å; G492-E495 PolarHBondContact O-N 3.21Å; G492-D496 WeakPolarHBondContact O-CA 3.46Å; G492-D496 WeakPolarHBondContact O-CB 3.4Å; G492-D496 PolarHBondContact O-N 2.97Å; G492-L503 VanDerWaalsContact C-CD1 3.42Å; G492-L503 WeakPolarHBondContact O-CD1 3.4Å
493	V	96.6	Very high	95.3	Very high	0 Å²	0	47.7 Å²	47.7	0%	0	24%	0.241	C	C	.	.	H	α-helix	trans	-59.2	-37	179.6	168.1	0	0	0	0	112.2	L489 K490 M491 R500 L503 I507 L577	L489-V493 PolarHBondContact O-N 2.72Å; K490-V493 WeakPolarHBondContact O-CB 3.41Å; K490-V493 PolarHBondContact O-N 2.98Å; M491-V493 PolarHBondContact O-N 3.24Å; V493-R500 HydrophobicContact CG1-CG 4.12Å; V493-R500 WeakPolarHBondContact O-CG 3.4Å; V493-R500 PolarHBondContact O-NE 3.18Å; V493-L503 HydrophobicContact CG2-CB 3.82Å; V493-I507 HydrophobicContact CG2-CD1 3.89Å; V493-I507 HydrophobicContact CG2-CG1 3.92Å; V493-L577 HydrophobicContact CG1-CD1 4.02Å; V493-L577 HydrophobicContact CG1-CD2 3.56Å; V493-L577 HydrophobicContact CG1-CG 3.55Å
494	F	91.9	Very high	95.4	Very high	58 Å²	58	39.6 Å²	39.6	25%	0.254	21%	0.206	S	C	.	.	H	α-helix	trans	-97	-27.2	179.6	60.5	-104.5	0	0	0	113.8	K490 M491 G492 V569 S576	K490-F494 VanDerWaalsContact O-CD1 3.24Å; K490-F494 WeakPolarHBondContact O-CD1 3.36Å; M491-F494 VanDerWaalsContact CA-CE1 3.46Å; M491-F494 HydrophobicContact CB-CE1 4.4Å; M491-F494 HydrophobicContact CB-CZ 4.2Å; M491-F494 HydrophobicContact CE-CE1 4.46Å; M491-F494 HydrophobicContact CE-CE2 3.68Å; M491-F494 HydrophobicContact CE-CZ 3.37Å; M491-F494 HydrophobicContact CG-CZ 4.31Å; M491-F494 WeakPolarHBondContact O-CD1 3.23Å; M491-F494 WeakPolarHBondContact O-CG 3.42Å; M491-F494 PolarHBondContact O-N 3.5Å; M491-F494 VanDerWaalsContact O-N 3.14Å; M491-F494 HydrophobicContact SD-CE1 3.86Å; M491-F494 HydrophobicContact SD-CE2 4.17Å; M491-F494 HydrophobicContact SD-CZ 3.26Å; M491-F494 WeakPolarHBondContact SD-CZ 3.47Å; G492-F494 VanDerWaalsContact C-N 3.25Å; G492-F494 PolarHBondContact O-N 2.93Å; F494-V569 HydrophobicContact CE1-CG2 3.75Å; F494-V569 HydrophobicContact CZ-CG2 4.27Å; F494-S576 VanDerWaalsContact CB-CB 3.5Å; F494-S576 WeakPolarHBondContact CB-OG 3.48Å
495	E	92.6	Very high	95.4	Very high	72 Å²	72	41.8 Å²	41.8	34%	0.336	22%	0.215	S	C	.	.	H	α-helix	trans	-79.6	-28.5	176.3	-68.9	-176.8	-178.3	0	0	114.4	Y400 M491 G492 P497	Y400-E495 WeakPolarHBondContact CE1-OE1 2.91Å; Y400-E495 VanDerWaalsContact CZ-OE1 3.25Å; Y400-E495 PolarHBondContact OH-OE1 2.89Å; Y400-E495 PolarHBondContact OH-OE2 3.09Å; M491-E495 WeakPolarHBondContact CE-OE1 3.49Å; M491-E495 WeakPolarHBondContact O-CG 3.39Å; M491-E495 PolarHBondContact O-N 3.03Å; G492-E495 PolarHBondContact O-N 3.21Å; E495-P497 VanDerWaalsContact C-CD 3.49Å; E495-P497 VanDerWaalsContact O-CD 3.29Å; E495-P497 WeakPolarHBondContact O-CD 3.44Å
496	D	94.5	Very high	95.4	Very high	23 Å²	23	42.2 Å²	42.2	12%	0.123	22%	0.217	C	C	.	.			trans	-121.3	79.4	-176.6	-171.7	-9.1	0	0	0	111.7	Y427 G492 T498 N499 R500 L503	Y427-D496 HydrophobicContact CD1-CB 4.47Å; Y427-D496 HydrophobicContact CE1-CB 3.64Å; Y427-D496 PolarHBondContact OH-OD2 3.2Å; G492-D496 WeakPolarHBondContact O-CA 3.46Å; G492-D496 WeakPolarHBondContact O-CB 3.4Å; G492-D496 PolarHBondContact O-N 2.97Å; D496-T498 PolarHBondContact O-N 3.04Å; D496-T498 VanDerWaalsContact O-N 3.08Å; D496-T498 WeakPolarHBondContact OD1-CB 3.26Å; D496-T498 PolarHBondContact OD1-N 3.31Å; D496-N499 PolarHBondContact O-N 2.77Å; D496-N499 PolarHBondContact OD1-N 2.75Å; D496-N499 VanDerWaalsContact OD1-N 3.1Å; D496-N499 PolarHBondContact OD1-ND2 2.95Å; D496-N499 WeakPolarHBondContact OD2-CB 3.21Å; D496-N499 PolarHBondContact OD2-ND2 3.06Å; D496-R500 PolarHBondContact O-N 2.94Å; D496-L503 HydrophobicContact CB-CD1 4.41Å
497	P	94.5	Very high	95.4	Very high	81 Å²	81	42.1 Å²	42.1	53%	0.526	22%	0.216	S	C	.	.	T	Hydrogen-bonded Turn	trans	-55.4	-27.5	176.1	-24	31.9	0	0	0	113.6	E495	E495-P497 VanDerWaalsContact C-CD 3.49Å; E495-P497 VanDerWaalsContact O-CD 3.29Å; E495-P497 WeakPolarHBondContact O-CD 3.44Å
498	T	95	Very high	95.5	Very high	126 Å²	126	41.6 Å²	41.6	77%	0.773	21%	0.21	S	C	*	.	T	Hydrogen-bonded Turn	trans	-71.6	-36.3	-176.9	-52.2	0	0	0	0	111.4	D496	D496-T498 PolarHBondContact O-N 3.04Å; D496-T498 VanDerWaalsContact O-N 3.08Å; D496-T498 WeakPolarHBondContact OD1-CB 3.26Å; D496-T498 PolarHBondContact OD1-N 3.31Å
499	N	96.1	Very high	95.6	Very high	30 Å²	30	41.6 Å²	41.6	16%	0.16	21%	0.208	C	C	.	.	T	Hydrogen-bonded Turn	trans	-101.8	1.6	178.2	-68.6	-64.1	0	0	0	114	L467 D496 T501 R502 L503	L467-N499 HydrophobicContact CD1-CB 3.83Å; D496-N499 PolarHBondContact O-N 2.77Å; D496-N499 PolarHBondContact OD1-N 2.75Å; D496-N499 VanDerWaalsContact OD1-N 3.1Å; D496-N499 PolarHBondContact OD1-ND2 2.95Å; D496-N499 WeakPolarHBondContact OD2-CB 3.21Å; D496-N499 PolarHBondContact OD2-ND2 3.06Å; N499-T501 VanDerWaalsContact C-N 3.29Å; N499-T501 PolarHBondContact O-N 3.35Å; N499-T501 VanDerWaalsContact O-N 3.13Å; N499-R502 WeakPolarHBondContact O-CA 3.43Å; N499-R502 WeakPolarHBondContact O-CB 3.35Å; N499-R502 PolarHBondContact O-N 3.16Å; N499-L503 HydrophobicContact CB-CD1 4.15Å; N499-L503 HydrophobicContact CB-CG 4.35Å; N499-L503 PolarHBondContact O-N 3.43Å
500	R	95.4	Very high	95.6	Very high	62 Å²	62	43.9 Å²	43.9	23%	0.234	22%	0.219	C	C	.	.	H	α-helix	trans	-45.6	-47.5	-177.4	-174.1	-179.9	-64.2	157.4	1	114.1	V493 D496 R502 L503 S504 S576 L577	V493-R500 HydrophobicContact CG1-CG 4.12Å; V493-R500 WeakPolarHBondContact O-CG 3.4Å; V493-R500 PolarHBondContact O-NE 3.18Å; D496-R500 PolarHBondContact O-N 2.94Å; R500-R502 VanDerWaalsContact C-N 3.3Å; R500-R502 PolarHBondContact O-N 3.4Å; R500-L503 PolarHBondContact O-N 3.15Å; R500-S504 WeakPolarHBondContact O-CB 3.5Å; R500-S504 PolarHBondContact O-N 2.83Å; R500-S504 PolarHBondContact O-OG 3.39Å; R500-S576 WeakPolarHBondContact CD-O 3.48Å; R500-S576 VanDerWaalsContact CZ-O 3.31Å; R500-S576 PolarHBondContact NE-O 2.85Å; R500-S576 PolarHBondContact NH1-O 3.47Å; R500-L577 HydrophobicContact CG-CD2 3.69Å
501	T	94.4	Very high	95.7	Very high	101 Å²	101	43.8 Å²	43.8	62%	0.62	22%	0.219	S	C	*	.	H	α-helix	trans	-67	-28.9	179.8	-51	0	0	0	0	113.4	N499 S504	N499-T501 VanDerWaalsContact C-N 3.29Å; N499-T501 PolarHBondContact O-N 3.35Å; N499-T501 VanDerWaalsContact O-N 3.13Å; T501-S504 PolarHBondContact O-OG 2.99Å; T501-S504 VanDerWaalsContact O-OG 3.05Å
502	R	95.8	Very high	95.8	Very high	98 Å²	98	43.1 Å²	43.1	37%	0.37	22%	0.219	S	C	.	.	H	α-helix	trans	-77.3	-43.3	174.3	-68.2	177.9	172.5	-121.6	-2.6	110.4	L467 D468 N499 R500 K505	L467-R502 HydrophobicContact CD1-CB 4.09Å; D468-R502 IonicContact OD1-NH1 2.76Å; D468-R502 PolarHBondContact OD1-NH1 3.17Å; D468-R502 VanDerWaalsContact OD1-NH1 3.08Å; N499-R502 WeakPolarHBondContact O-CA 3.43Å; N499-R502 WeakPolarHBondContact O-CB 3.35Å; N499-R502 PolarHBondContact O-N 3.16Å; R500-R502 VanDerWaalsContact C-N 3.3Å; R500-R502 PolarHBondContact O-N 3.4Å; R502-K505 PolarHBondContact O-N 3.11Å
503	L	97.2	Very high	95.8	Very high	0 Å²	0	48.5 Å²	48.5	0%	0	24%	0.244	C	C	.	.	H	α-helix	trans	-62.9	-43.1	178.7	-70.2	167.9	0	0	0	111.7	Y427 L467 L489 G492 V493 D496 N499 R500 K505 L506 I507	Y427-L503 HydrophobicContact CE2-CD1 4.15Å; Y427-L503 HydrophobicContact CE2-CD2 3.81Å; L467-L503 HydrophobicContact CD1-CD2 4.46Å; L467-L503 HydrophobicContact CD2-CD2 3.6Å; L467-L503 HydrophobicContact CD2-CG 4.48Å; L489-L503 HydrophobicContact CD2-CD2 4.11Å; G492-L503 VanDerWaalsContact C-CD1 3.42Å; G492-L503 WeakPolarHBondContact O-CD1 3.4Å; V493-L503 HydrophobicContact CG2-CB 3.82Å; D496-L503 HydrophobicContact CB-CD1 4.41Å; N499-L503 HydrophobicContact CB-CD1 4.15Å; N499-L503 HydrophobicContact CB-CG 4.35Å; N499-L503 PolarHBondContact O-N 3.43Å; R500-L503 PolarHBondContact O-N 3.15Å; L503-K505 PolarHBondContact O-N 3.34Å; L503-K505 VanDerWaalsContact O-N 3.11Å; L503-L506 WeakPolarHBondContact O-CA 3.33Å; L503-L506 WeakPolarHBondContact O-CB 3.4Å; L503-L506 PolarHBondContact O-N 3.03Å; L503-I507 WeakPolarHBondContact O-CG1 3.33Å; L503-I507 PolarHBondContact O-N 2.58Å
504	S	96.6	Very high	95.7	Very high	4 Å²	4	51.7 Å²	51.7	3%	0.028	26%	0.258	C	S	.	.	H	α-helix	trans	-57.3	-30.1	180	65.5	0	0	0	0	113.5	R500 T501 L506 I507	R500-S504 WeakPolarHBondContact O-CB 3.5Å; R500-S504 PolarHBondContact O-N 2.83Å; R500-S504 PolarHBondContact O-OG 3.39Å; T501-S504 PolarHBondContact O-OG 2.99Å; T501-S504 VanDerWaalsContact O-OG 3.05Å; S504-L506 VanDerWaalsContact C-N 3.3Å; S504-L506 PolarHBondContact O-N 3.28Å; S504-I507 PolarHBondContact O-N 2.91Å
505	K	96	Very high	95.7	Very high	105 Å²	105	53.8 Å²	53.8	46%	0.457	28%	0.278	S	S	.	.	T	Hydrogen-bonded Turn	trans	-72.9	-21.6	176	-63.6	-175.8	179.4	-159.4	0	113.4	R502 L503 R508 F580	R502-K505 PolarHBondContact O-N 3.11Å; L503-K505 PolarHBondContact O-N 3.34Å; L503-K505 VanDerWaalsContact O-N 3.11Å; K505-R508 PolarHBondContact O-NH1 2.93Å; K505-F580 HydrophobicContact CG-CE2 3.86Å; K505-F580 HydrophobicContact CG-CZ 4.16Å
506	L	96.9	Very high	95.6	Very high	9 Å²	9	53.9 Å²	53.9	5%	0.047	29%	0.286	C	S	.	.	T	Hydrogen-bonded Turn	trans	-89.3	-18.6	176.8	-58.3	175.2	0	0	0	111.9	L467 L470 K471 F478 W482 L489 L503 S504 R508	L467-L506 HydrophobicContact CD2-CD1 4.09Å; L470-L506 HydrophobicContact CB-CD1 3.86Å; L470-L506 HydrophobicContact CB-CD2 4.25Å; L470-L506 HydrophobicContact CD1-CD1 4Å; K471-L506 HydrophobicContact CB-CD2 4.36Å; F478-L506 HydrophobicContact CE2-CD2 4.19Å; F478-L506 HydrophobicContact CZ-CB 4.43Å; F478-L506 WeakPolarHBondContact CZ-O 3.23Å; W482-L506 VanDerWaalsContact CZ3-O 3.23Å; W482-L506 WeakPolarHBondContact CZ3-O 3.5Å; L489-L506 HydrophobicContact CD1-CB 3.85Å; L489-L506 HydrophobicContact CD1-CD1 4.14Å; L503-L506 WeakPolarHBondContact O-CA 3.33Å; L503-L506 WeakPolarHBondContact O-CB 3.4Å; L503-L506 PolarHBondContact O-N 3.03Å; S504-L506 VanDerWaalsContact C-N 3.3Å; S504-L506 PolarHBondContact O-N 3.28Å; L506-R508 VanDerWaalsContact C-NH1 3.31Å; L506-R508 PolarHBondContact O-NH1 2.97Å; L506-R508 VanDerWaalsContact O-NH1 3.1Å
507	I	97.1	Very high	95.5	Very high	0 Å²	0	57.3 Å²	57.3	0%	0	31%	0.305	C	S	.	.			trans	-65	142.4	-179	-56.4	-55.5	0	0	0	111	W482 L489 K490 V493 L503 S504 F509	W482-I507 HydrophobicContact CH2-CB 4.23Å; W482-I507 HydrophobicContact CH2-CD1 3.96Å; W482-I507 HydrophobicContact CH2-CG2 3.97Å; W482-I507 HydrophobicContact CZ3-CD1 4.26Å; L489-I507 HydrophobicContact CB-CD1 3.99Å; K490-I507 HydrophobicContact CG-CD1 3.98Å; V493-I507 HydrophobicContact CG2-CD1 3.89Å; V493-I507 HydrophobicContact CG2-CG1 3.92Å; L503-I507 WeakPolarHBondContact O-CG1 3.33Å; L503-I507 PolarHBondContact O-N 2.58Å; S504-I507 PolarHBondContact O-N 2.91Å; I507-F509 HydrophobicContact CB-CE2 4.34Å; I507-F509 HydrophobicContact CG2-CD2 3.94Å; I507-F509 HydrophobicContact CG2-CE1 3.98Å; I507-F509 HydrophobicContact CG2-CE2 3.26Å; I507-F509 HydrophobicContact CG2-CZ 3.29Å
508	R	96.5	Very high	95.6	Very high	51 Å²	51	57 Å²	57	19%	0.192	30%	0.298	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.3	142.9	173.4	-56.7	-68	-179.5	-89.8	2.4	110.2	F478 W482 K505 L506 L518 T519 S520	F478-R508 HydrophobicContact CE1-CG 3.85Å; W482-R508 HydrophobicContact CD2-CB 3.96Å; W482-R508 HydrophobicContact CD2-CG 4.02Å; W482-R508 HydrophobicContact CE3-CB 4.36Å; W482-R508 HydrophobicContact CE3-CG 4.13Å; W482-R508 HydrophobicContact CH2-CB 4.29Å; W482-R508 HydrophobicContact CZ2-CB 3.81Å; W482-R508 VanDerWaalsContact CZ2-N 3.34Å; W482-R508 WeakPolarHBondContact CZ2-O 3.45Å; W482-R508 HydrophobicContact CZ3-CG 4.48Å; K505-R508 PolarHBondContact O-NH1 2.93Å; L506-R508 VanDerWaalsContact C-NH1 3.31Å; L506-R508 PolarHBondContact O-NH1 2.97Å; L506-R508 VanDerWaalsContact O-NH1 3.1Å; R508-L518 HydrophobicContact CB-CB 3.9Å; R508-L518 HydrophobicContact CB-CD1 4.23Å; R508-T519 CarbonylContact C-O 3.5Å; R508-T519 WeakPolarHBondContact CA-O 3.42Å; R508-S520 VanDerWaalsContact CZ-CB 3.5Å; R508-S520 VanDerWaalsContact NH1-CB 3.27Å
509	F	97.2	Very high	95.6	Very high	4 Å²	4	51.3 Å²	51.3	2%	0.018	26%	0.263	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.2	160.9	177.1	-64.7	-72	0	0	0	110.5	I507 L518 T519 L521 L563 L565 D570 M574	I507-F509 HydrophobicContact CB-CE2 4.34Å; I507-F509 HydrophobicContact CG2-CD2 3.94Å; I507-F509 HydrophobicContact CG2-CE1 3.98Å; I507-F509 HydrophobicContact CG2-CE2 3.26Å; I507-F509 HydrophobicContact CG2-CZ 3.29Å; F509-L518 CarbonylContact O-C 3.6Å; F509-L518 WeakPolarHBondContact O-CA 3.35Å; F509-T519 PolarHBondContact N-O 2.83Å; F509-T519 PolarHBondContact O-N 3.2Å; F509-L521 HydrophobicContact CD2-CD2 4.16Å; F509-L521 HydrophobicContact CE2-CD2 4.08Å; F509-L521 HydrophobicContact CE2-CG 4.42Å; F509-L563 HydrophobicContact CB-CB 4.49Å; F509-L563 HydrophobicContact CB-CD2 4.32Å; F509-L563 HydrophobicContact CD2-CD1 4.14Å; F509-L565 HydrophobicContact CD1-CD1 4.23Å; F509-L565 HydrophobicContact CD1-CG 4.1Å; F509-L565 HydrophobicContact CE1-CG 4.13Å; F509-D570 HydrophobicContact CE1-CB 4.33Å; F509-M574 HydrophobicContact CE2-SD 3.73Å; F509-M574 HydrophobicContact CZ-CG 4.01Å; F509-M574 HydrophobicContact CZ-SD 3.53Å; F509-M574 VanDerWaalsContact CZ-SD 3.53Å
510	Q	97.1	Very high	95.6	Very high	49 Å²	49	50.4 Å²	50.4	23%	0.229	26%	0.259	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-71.2	154.1	163.8	-62	-175.3	24.5	0	0	109.2	L518 R543 F564	Q510-L518 HydrophobicContact CG-CD2 3.68Å; Q510-R543 VanDerWaalsContact OE1-CD 3.28Å; Q510-F564 HydrophobicContact CB-CB 4.05Å; Q510-F564 PolarHBondContact N-O 3.14Å; Q510-F564 PolarHBondContact O-N 2.69Å
511	S	97.4	Very high	95.7	Very high	0 Å²	0	47.4 Å²	47.4	0%	0	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.3	153.5	-178.8	173.9	0	0	0	0	111.4	H513 H514 R543 E561 V562	S511-H513 PolarHBondContact O-N 2.65Å; S511-H513 PolarHBondContact OG-N 3.15Å; S511-H513 VanDerWaalsContact OG-N 3.09Å; S511-H514 PolarHBondContact O-N 3.34Å; S511-R543 PolarHBondContact O-NH1 3.06Å; S511-R543 PolarHBondContact O-NH2 3.42Å; S511-E561 WeakPolarHBondContact CB-OE1 3.35Å; S511-E561 WeakPolarHBondContact OG-CG 3.5Å; S511-E561 PolarHBondContact OG-OE1 3.43Å; S511-V562 WeakPolarHBondContact CA-O 3.46Å
512	S	97.3	Very high	95.8	Very high	33 Å²	33	43.6 Å²	43.6	23%	0.231	23%	0.229	C	C	.	.	T	Hydrogen-bonded Turn	trans	-65.1	-11.5	168.7	71.5	0	0	0	0	113.7	E561 V562	S512-E561 WeakPolarHBondContact OG-CA 3.47Å; S512-V562 PolarHBondContact N-O 3.47Å; S512-V562 PolarHBondContact OG-N 3.21Å
513	H	95.6	Very high	95.9	Very high	113 Å²	113	42.6 Å²	42.6	52%	0.523	23%	0.228	S	C	.	.	T	Hydrogen-bonded Turn	trans	-71.5	-30.4	177.6	-176.4	69.3	0	0	0	113.2	S511 E561	S511-H513 PolarHBondContact O-N 2.65Å; S511-H513 PolarHBondContact OG-N 3.15Å; S511-H513 VanDerWaalsContact OG-N 3.09Å; H513-E561 HydrophobicContact CB-CG 4.01Å
514	H	94.5	Very high	95.9	Very high	66 Å²	66	42.6 Å²	42.6	31%	0.306	23%	0.229	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.2	142.6	179.8	-162.1	-79	0	0	0	111.1	S511 S516 N517 R543	S511-H514 PolarHBondContact O-N 3.34Å; H514-S516 PolarHBondContact CE1-OG 3.41Å; H514-S516 VanDerWaalsContact CE1-OG 3.29Å; H514-S516 PolarHBondContact ND1-N 3.32Å; H514-S516 PolarHBondContact ND1-OG 3.33Å; H514-S516 PolarHBondContact O-N 2.93Å; H514-S516 VanDerWaalsContact O-N 3.14Å; H514-N517 HydrophobicContact CB-CB 4.18Å; H514-N517 PolarHBondContact CE1-ND2 3.34Å; H514-N517 PolarHBondContact CE1-OD1 2.93Å; H514-N517 PolarHBondContact ND1-N 2.67Å; H514-N517 VanDerWaalsContact ND1-N 3.11Å; H514-N517 PolarHBondContact NE2-ND2 3.36Å; H514-R543 PolarHBondContact O-NH2 3.31Å
515	P	91.9	Very high	95.9	Very high	102 Å²	102	44 Å²	44	66%	0.662	24%	0.237	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-66.3	-12.4	-178.6	24.2	-36.5	0	0	0	115.7
516	S	90.1	Very high	95.9	Very high	74 Å²	74	46.8 Å²	46.8	52%	0.517	25%	0.251	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-153.2	-45.1	-167	59.5	0	0	0	0	113.7	H514 L518	H514-S516 PolarHBondContact CE1-OG 3.41Å; H514-S516 VanDerWaalsContact CE1-OG 3.29Å; H514-S516 PolarHBondContact ND1-N 3.32Å; H514-S516 PolarHBondContact ND1-OG 3.33Å; H514-S516 PolarHBondContact O-N 2.93Å; H514-S516 VanDerWaalsContact O-N 3.14Å; S516-L518 PolarHBondContact O-N 3.07Å
517	N	93.2	Very high	95.8	Very high	95 Å²	95	50.5 Å²	50.5	51%	0.508	27%	0.265	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-61.9	135.6	-178.4	-62.9	2.4	0	0	0	110.9	H514	H514-N517 HydrophobicContact CB-CB 4.18Å; H514-N517 PolarHBondContact CE1-ND2 3.34Å; H514-N517 PolarHBondContact CE1-OD1 2.93Å; H514-N517 PolarHBondContact ND1-N 2.67Å; H514-N517 VanDerWaalsContact ND1-N 3.11Å; H514-N517 PolarHBondContact NE2-ND2 3.36Å
518	L	95.5	Very high	95.7	Very high	74 Å²	74	51.7 Å²	51.7	39%	0.387	27%	0.271	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.3	151.7	174.8	-56.8	174.7	0	0	0	110.3	W482 R508 F509 Q510 S516	W482-L518 HydrophobicContact CG-CD1 4.29Å; R508-L518 HydrophobicContact CB-CB 3.9Å; R508-L518 HydrophobicContact CB-CD1 4.23Å; F509-L518 CarbonylContact O-C 3.6Å; F509-L518 WeakPolarHBondContact O-CA 3.35Å; Q510-L518 HydrophobicContact CG-CD2 3.68Å; S516-L518 PolarHBondContact O-N 3.07Å
519	T	96	Very high	95.4	Very high	7 Å²	7	52.5 Å²	52.5	4%	0.043	28%	0.284	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124	134.7	-177.8	-82.5	0	0	0	0	109.5	R508 F509 E523 R527 L563	R508-T519 CarbonylContact C-O 3.5Å; R508-T519 WeakPolarHBondContact CA-O 3.42Å; F509-T519 PolarHBondContact N-O 2.83Å; F509-T519 PolarHBondContact O-N 3.2Å; T519-E523 HydrophobicContact CG2-CB 4.32Å; T519-R527 PolarHBondContact OG1-NH2 3.18Å; T519-R527 VanDerWaalsContact OG1-NH2 3.13Å; T519-L563 HydrophobicContact CG2-CD2 4.19Å
520	S	96.7	Very high	94.9	Very high	11 Å²	11	61.8 Å²	61.8	8%	0.077	33%	0.328	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.9	158.5	167.3	70.7	0	0	0	0	112	R508 G522 E523 Y524	R508-S520 VanDerWaalsContact CZ-CB 3.5Å; R508-S520 VanDerWaalsContact NH1-CB 3.27Å; S520-G522 PolarHBondContact O-N 3.17Å; S520-E523 WeakPolarHBondContact CB-OE2 3.5Å; S520-E523 PolarHBondContact N-OE2 3Å; S520-E523 PolarHBondContact O-N 2.6Å; S520-E523 WeakPolarHBondContact OG-CB 3.36Å; S520-E523 WeakPolarHBondContact OG-CG 3.35Å; S520-E523 PolarHBondContact OG-N 3.47Å; S520-E523 VanDerWaalsContact OG-N 3.1Å; S520-E523 PolarHBondContact OG-OE2 3.3Å; S520-Y524 PolarHBondContact O-N 3.01Å
521	L	97.2	Very high	94.4	Very high	0 Å²	0	70.7 Å²	70.7	0%	0	36%	0.359	C	S	.	.	H	α-helix	trans	-62.5	-31.4	173.5	-65.6	179.2	0	0	0	112.4	F509 V525 L563 L577 F580 F585	F509-L521 HydrophobicContact CD2-CD2 4.16Å; F509-L521 HydrophobicContact CE2-CD2 4.08Å; F509-L521 HydrophobicContact CE2-CG 4.42Å; L521-V525 WeakPolarHBondContact O-CG2 3.37Å; L521-V525 PolarHBondContact O-N 2.91Å; L521-V525 VanDerWaalsContact O-N 3.09Å; L521-L563 HydrophobicContact CD2-CD1 3.63Å; L521-L577 HydrophobicContact CD1-CD1 4.4Å; L521-F580 VanDerWaalsContact C-CE1 3.42Å; L521-F580 HydrophobicContact CB-CD1 3.7Å; L521-F580 HydrophobicContact CB-CD2 3.81Å; L521-F580 HydrophobicContact CB-CE1 3.55Å; L521-F580 HydrophobicContact CB-CE2 3.65Å; L521-F580 HydrophobicContact CB-CG 3.83Å; L521-F580 HydrophobicContact CB-CZ 3.53Å; L521-F580 HydrophobicContact CD1-CB 4.28Å; L521-F580 HydrophobicContact CD1-CD2 3.56Å; L521-F580 HydrophobicContact CD1-CE2 4Å; L521-F580 HydrophobicContact CD1-CG 3.91Å; L521-F580 HydrophobicContact CG-CD2 4.35Å; L521-F580 HydrophobicContact CG-CE2 4.47Å; L521-F580 HydrophobicContact CG-CG 4.5Å; L521-F585 HydrophobicContact CD1-CE1 4.36Å; L521-F585 HydrophobicContact CD1-CZ 4.14Å; L521-F585 HydrophobicContact CD2-CE1 4.08Å
522	G	96.5	Very high	94	Very high	21 Å²	21	71.4 Å²	71.4	22%	0.216	36%	0.362	C	S	.	.	H	α-helix	trans	-64.5	-49.9	175.5	0	0	0	0	0	112.1	S520 Y524 V525 E526	S520-G522 PolarHBondContact O-N 3.17Å; G522-Y524 VanDerWaalsContact C-N 3.3Å; G522-Y524 PolarHBondContact O-N 3.49Å; G522-V525 PolarHBondContact O-N 2.65Å; G522-V525 VanDerWaalsContact O-N 3.09Å; G522-E526 WeakPolarHBondContact O-CG 3.37Å; G522-E526 PolarHBondContact O-N 2.76Å
523	E	96.7	Very high	93.7	Very high	76 Å²	76	77.9 Å²	77.9	36%	0.355	39%	0.387	S	S	.	.	H	α-helix	trans	-60.9	-37.2	176.7	-74.7	162.1	154.1	0	0	112.5	T519 S520 R527	T519-E523 HydrophobicContact CG2-CB 4.32Å; S520-E523 WeakPolarHBondContact CB-OE2 3.5Å; S520-E523 PolarHBondContact N-OE2 3Å; S520-E523 PolarHBondContact O-N 2.6Å; S520-E523 WeakPolarHBondContact OG-CB 3.36Å; S520-E523 WeakPolarHBondContact OG-CG 3.35Å; S520-E523 PolarHBondContact OG-N 3.47Å; S520-E523 VanDerWaalsContact OG-N 3.1Å; S520-E523 PolarHBondContact OG-OE2 3.3Å; E523-R527 VanDerWaalsContact O-CZ 3.29Å; E523-R527 PolarHBondContact O-N 2.87Å; E523-R527 PolarHBondContact O-NH1 3.22Å
524	Y	97.9	Very high	93.7	Very high	1 Å²	1	74.1 Å²	74.1	0%	0.004	37%	0.371	C	S	.	.	H	α-helix	trans	-60.5	-48.7	172.3	-178.1	-78.3	0	0	0	110.9	S520 G522 E526 R527 M528 Q532 I535 Y536 E561 L563	S520-Y524 PolarHBondContact O-N 3.01Å; G522-Y524 VanDerWaalsContact C-N 3.3Å; G522-Y524 PolarHBondContact O-N 3.49Å; Y524-E526 VanDerWaalsContact C-N 3.31Å; Y524-E526 PolarHBondContact O-N 3.4Å; Y524-R527 CarbonylContact O-C 3.52Å; Y524-R527 PolarHBondContact O-N 3.23Å; Y524-R527 VanDerWaalsContact O-N 3.09Å; Y524-M528 HydrophobicContact CD1-CG 3.76Å; Y524-M528 HydrophobicContact CD1-SD 3.94Å; Y524-M528 HydrophobicContact CE1-CG 3.55Å; Y524-M528 HydrophobicContact CE1-SD 3.8Å; Y524-M528 WeakPolarHBondContact O-CG 3.36Å; Y524-M528 PolarHBondContact O-N 3.06Å; Y524-M528 VanDerWaalsContact O-N 3.12Å; Y524-Q532 PolarHBondContact OH-NE2 3.21Å; Y524-I535 HydrophobicContact CD1-CB 4.25Å; Y524-I535 HydrophobicContact CD1-CD1 4.35Å; Y524-I535 HydrophobicContact CD1-CG1 3.8Å; Y524-I535 HydrophobicContact CD1-CG2 3.83Å; Y524-I535 HydrophobicContact CE1-CB 3.82Å; Y524-I535 HydrophobicContact CE1-CG1 3.68Å; Y524-I535 HydrophobicContact CE1-CG2 3.6Å; Y524-I535 HydrophobicContact CE2-CG2 4.29Å; Y524-I535 HydrophobicContact CG-CG2 4.32Å; Y524-Y536 PolarHBondContact OH-N 3.08Å; Y524-E561 HydrophobicContact CD2-CB 4.26Å; Y524-E561 VanDerWaalsContact CD2-CD 3.5Å; Y524-E561 HydrophobicContact CD2-CG 3.78Å; Y524-E561 HydrophobicContact CE2-CB 3.71Å; Y524-E561 HydrophobicContact CE2-CG 3.6Å; Y524-E561 WeakPolarHBondContact CE2-O 3.5Å; Y524-E561 PolarHBondContact OH-O 2.84Å; Y524-L563 HydrophobicContact CD2-CD1 4.31Å; Y524-L563 HydrophobicContact CD2-CD2 3.56Å; Y524-L563 HydrophobicContact CD2-CG 3.76Å; Y524-L563 HydrophobicContact CE2-CD2 4.16Å; Y524-L563 HydrophobicContact CE2-CG 3.95Å; Y524-L563 HydrophobicContact CG-CD2 4.38Å
525	V	96.6	Very high	93.8	Very high	33 Å²	33	71 Å²	71	20%	0.2	36%	0.357	C	S	.	.	H	α-helix	trans	-62.5	-38.1	-178.6	171.2	0	0	0	0	111.7	L521 G522 R527 M528 I535 F580 K583	L521-V525 WeakPolarHBondContact O-CG2 3.37Å; L521-V525 PolarHBondContact O-N 2.91Å; L521-V525 VanDerWaalsContact O-N 3.09Å; G522-V525 PolarHBondContact O-N 2.65Å; G522-V525 VanDerWaalsContact O-N 3.09Å; V525-R527 PolarHBondContact O-N 3.34Å; V525-M528 HydrophobicContact CB-SD 4.28Å; V525-M528 HydrophobicContact CG1-SD 4.44Å; V525-M528 HydrophobicContact CG2-SD 3.95Å; V525-M528 WeakPolarHBondContact O-CB 3.41Å; V525-M528 PolarHBondContact O-N 3.08Å; V525-I535 HydrophobicContact CG2-CD1 3.95Å; V525-F580 HydrophobicContact CG2-CD1 3.92Å; V525-F580 HydrophobicContact CG2-CE1 4.18Å; V525-K583 HydrophobicContact CG2-CG 4.42Å
526	E	96.2	Very high	94	Very high	163 Å²	163	67 Å²	67	76%	0.762	33%	0.329	S	S	*	.	H	α-helix	trans	-61.8	-30.3	175.2	-72.5	173.8	-178.1	0	0	112.9	G522 Y524	G522-E526 WeakPolarHBondContact O-CG 3.37Å; G522-E526 PolarHBondContact O-N 2.76Å; Y524-E526 VanDerWaalsContact C-N 3.31Å; Y524-E526 PolarHBondContact O-N 3.4Å
527	R	95.8	Very high	94.4	Very high	87 Å²	87	64.1 Å²	64.1	33%	0.328	31%	0.306	S	S	.	.	H	α-helix	trans	-91.7	-5.2	177.7	-67.2	-173.6	-63.4	-95.7	6	114.3	T519 E523 Y524 V525 S529 E561	T519-R527 PolarHBondContact OG1-NH2 3.18Å; T519-R527 VanDerWaalsContact OG1-NH2 3.13Å; E523-R527 VanDerWaalsContact O-CZ 3.29Å; E523-R527 PolarHBondContact O-N 2.87Å; E523-R527 PolarHBondContact O-NH1 3.22Å; Y524-R527 CarbonylContact O-C 3.52Å; Y524-R527 PolarHBondContact O-N 3.23Å; Y524-R527 VanDerWaalsContact O-N 3.09Å; V525-R527 PolarHBondContact O-N 3.34Å; R527-S529 PolarHBondContact O-N 2.85Å; R527-E561 IonicContact CZ-OE1 3.66Å; R527-E561 IonicContact CZ-OE2 3.68Å; R527-E561 IonicContact NE-OE1 3.94Å; R527-E561 IonicContact NE-OE2 3.74Å; R527-E561 PolarHBondContact NE-OE2 2.76Å; R527-E561 IonicContact NH2-OE1 3.96Å; R527-E561 PolarHBondContact NH2-OE1 3.21Å; R527-E561 IonicContact NH2-OE2 2.85Å
528	M	94.6	Very high	94.6	Very high	25 Å²	25	59.9 Å²	59.9	12%	0.123	28%	0.284	C	S	.	.	S	Bend	trans	-64.3	136.2	177.2	-72.6	175.9	71.3	0	0	110.7	Y524 V525 Q532 V534 I535 K583	Y524-M528 HydrophobicContact CD1-CG 3.76Å; Y524-M528 HydrophobicContact CD1-SD 3.94Å; Y524-M528 HydrophobicContact CE1-CG 3.55Å; Y524-M528 HydrophobicContact CE1-SD 3.8Å; Y524-M528 WeakPolarHBondContact O-CG 3.36Å; Y524-M528 PolarHBondContact O-N 3.06Å; Y524-M528 VanDerWaalsContact O-N 3.12Å; V525-M528 HydrophobicContact CB-SD 4.28Å; V525-M528 HydrophobicContact CG1-SD 4.44Å; V525-M528 HydrophobicContact CG2-SD 3.95Å; V525-M528 WeakPolarHBondContact O-CB 3.41Å; V525-M528 PolarHBondContact O-N 3.08Å; M528-Q532 HydrophobicContact CB-CB 4.49Å; M528-Q532 HydrophobicContact CE-CB 4Å; M528-Q532 HydrophobicContact CE-CG 3.64Å; M528-Q532 WeakPolarHBondContact CE-O 3.5Å; M528-V534 WeakPolarHBondContact CE-O 3.42Å; M528-I535 HydrophobicContact SD-CG1 4.05Å; M528-K583 HydrophobicContact CE-CD 4.04Å; M528-K583 HydrophobicContact CE-CG 4.18Å; M528-K583 HydrophobicContact SD-CD 4.49Å; M528-K583 HydrophobicContact SD-CG 4.11Å
529	S	90.2	Very high	94.6	Very high	68 Å²	68	56.9 Å²	56.9	48%	0.476	27%	0.27	S	S	.	.			trans	-64.3	152.3	169.5	71.1	0	0	0	0	111.3	R527 R531 Q532	R527-S529 PolarHBondContact O-N 2.85Å; S529-R531 PolarHBondContact O-N 3.25Å; S529-Q532 WeakPolarHBondContact O-CB 3.48Å; S529-Q532 PolarHBondContact O-N 3.5Å; S529-Q532 WeakPolarHBondContact OG-CB 3.29Å; S529-Q532 PolarHBondContact OG-N 2.94Å
530	E	86.7	Confident	94.6	Very high	200 Å²	200	56.6 Å²	56.6	94%	0.935	27%	0.269	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56.1	-29.3	179.2	-63.8	-177	167.8	0	0	113.5
531	R	85.4	Confident	94.4	Very high	235 Å²	235	59.8 Å²	59.8	89%	0.887	29%	0.287	S	S	*	.	T	Hydrogen-bonded Turn	trans	-81.9	-17.6	179.9	-62.6	-177.3	-177.5	-178	1	113	S529	S529-R531 PolarHBondContact O-N 3.25Å
532	Q	90.4	Very high	94.4	Very high	15 Å²	15	61.5 Å²	61.5	7%	0.07	30%	0.299	C	S	.	.			trans	-79.2	122.5	-177.6	-168.5	-178.9	-26.9	0	0	110.5	Y524 M528 S529 V534 Y536	Y524-Q532 PolarHBondContact OH-NE2 3.21Å; M528-Q532 HydrophobicContact CB-CB 4.49Å; M528-Q532 HydrophobicContact CE-CB 4Å; M528-Q532 HydrophobicContact CE-CG 3.64Å; M528-Q532 WeakPolarHBondContact CE-O 3.5Å; S529-Q532 WeakPolarHBondContact O-CB 3.48Å; S529-Q532 PolarHBondContact O-N 3.5Å; S529-Q532 WeakPolarHBondContact OG-CB 3.29Å; S529-Q532 PolarHBondContact OG-N 2.94Å; Q532-V534 WeakPolarHBondContact CG-O 3.31Å; Q532-V534 PolarHBondContact NE2-O 3.47Å; Q532-Y536 HydrophobicContact CG-CE2 3.96Å
533	K	90.1	Very high	94.3	Very high	170 Å²	170	61.6 Å²	61.6	74%	0.739	29%	0.293	S	S	*	.			trans	-103.5	-11.2	-176.7	-62.2	-173.6	-179.3	-177.3	0	114
534	V	94.9	Very high	94.2	Very high	33 Å²	33	64.2 Å²	64.2	20%	0.2	31%	0.306	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.7	152.8	-173.4	-59.3	0	0	0	0	111.5	M528 Q532 Y536 K584 Q586	M528-V534 WeakPolarHBondContact CE-O 3.42Å; Q532-V534 WeakPolarHBondContact CG-O 3.31Å; Q532-V534 PolarHBondContact NE2-O 3.47Å; V534-Y536 HydrophobicContact CG2-CD1 4.11Å; V534-Y536 HydrophobicContact CG2-CE1 3.47Å; V534-Y536 VanDerWaalsContact CG2-CE1 3.47Å; V534-Y536 HydrophobicContact CG2-CE2 4.06Å; V534-Y536 VanDerWaalsContact CG2-CZ 3.46Å; V534-K584 CarbonylContact C-O 3.54Å; V534-K584 WeakPolarHBondContact CA-O 3.1Å; V534-K584 WeakPolarHBondContact CB-O 3.31Å; V534-K584 HydrophobicContact CG1-CB 4.31Å; V534-Q586 HydrophobicContact CB-CB 4.25Å; V534-Q586 HydrophobicContact CG2-CB 3.93Å
535	I	96.6	Very high	94	Very high	0 Å²	0	67.3 Å²	67.3	0%	0	32%	0.32	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90	119.2	173.5	-61.5	173.3	0	0	0	108	Y524 V525 M528 L563 F580 K583 K584 F585 Q586	Y524-I535 HydrophobicContact CD1-CB 4.25Å; Y524-I535 HydrophobicContact CD1-CD1 4.35Å; Y524-I535 HydrophobicContact CD1-CG1 3.8Å; Y524-I535 HydrophobicContact CD1-CG2 3.83Å; Y524-I535 HydrophobicContact CE1-CB 3.82Å; Y524-I535 HydrophobicContact CE1-CG1 3.68Å; Y524-I535 HydrophobicContact CE1-CG2 3.6Å; Y524-I535 HydrophobicContact CE2-CG2 4.29Å; Y524-I535 HydrophobicContact CG-CG2 4.32Å; V525-I535 HydrophobicContact CG2-CD1 3.95Å; M528-I535 HydrophobicContact SD-CG1 4.05Å; I535-L563 HydrophobicContact CG2-CD1 3.72Å; I535-L563 HydrophobicContact CG2-CG 4.4Å; I535-F580 HydrophobicContact CD1-CB 4.24Å; I535-F580 HydrophobicContact CD1-CD1 4.47Å; I535-K583 HydrophobicContact CD1-CB 4.13Å; I535-K583 HydrophobicContact CG1-CB 4.07Å; I535-K584 PolarHBondContact N-O 2.96Å; I535-F585 HydrophobicContact CB-CD1 3.71Å; I535-F585 HydrophobicContact CB-CE1 4.09Å; I535-F585 HydrophobicContact CD1-CD1 4.14Å; I535-F585 HydrophobicContact CD1-CE1 3.66Å; I535-F585 HydrophobicContact CD1-CZ 4.32Å; I535-F585 HydrophobicContact CG1-CD1 4.47Å; I535-F585 HydrophobicContact CG1-CE1 4.45Å; I535-F585 HydrophobicContact CG2-CD1 3.81Å; I535-F585 HydrophobicContact CG2-CE1 4.03Å; I535-F585 WeakPolarHBondContact O-CA 3.29Å; I535-Q586 PolarHBondContact O-N 3.38Å
536	Y	97	Very high	94	Very high	20 Å²	20	65.9 Å²	65.9	8%	0.078	31%	0.311	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.7	135.8	-179.7	-62.6	-70.7	0	0	0	111.1	Y524 Q532 V534 L555 I560 V562 L563 Q586 V588 L593	Y524-Y536 PolarHBondContact OH-N 3.08Å; Q532-Y536 HydrophobicContact CG-CE2 3.96Å; V534-Y536 HydrophobicContact CG2-CD1 4.11Å; V534-Y536 HydrophobicContact CG2-CE1 3.47Å; V534-Y536 VanDerWaalsContact CG2-CE1 3.47Å; V534-Y536 HydrophobicContact CG2-CE2 4.06Å; V534-Y536 VanDerWaalsContact CG2-CZ 3.46Å; Y536-L555 HydrophobicContact CD1-CD2 4.29Å; Y536-L555 HydrophobicContact CD2-CD2 4.02Å; Y536-L555 HydrophobicContact CE1-CD2 4.39Å; Y536-L555 HydrophobicContact CE2-CD2 4.1Å; Y536-L555 HydrophobicContact CG-CD2 4.1Å; Y536-I560 HydrophobicContact CD2-CG2 3.44Å; Y536-I560 VanDerWaalsContact CD2-CG2 3.44Å; Y536-I560 HydrophobicContact CE2-CG2 3.63Å; Y536-V562 WeakPolarHBondContact O-CA 3.21Å; Y536-L563 PolarHBondContact O-N 3.06Å; Y536-Q586 HydrophobicContact CD1-CB 3.95Å; Y536-Q586 HydrophobicContact CD1-CG 4.03Å; Y536-Q586 HydrophobicContact CE1-CB 4.13Å; Y536-Q586 HydrophobicContact CE1-CG 4.05Å; Y536-V588 HydrophobicContact CD1-CG1 3.95Å; Y536-V588 HydrophobicContact CG-CG1 4.34Å; Y536-L593 HydrophobicContact CD1-CD1 3.86Å; Y536-L593 HydrophobicContact CE1-CD1 3.37Å
537	Y	97.4	Very high	94	Very high	12 Å²	12	62.5 Å²	62.5	5%	0.047	30%	0.296	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-146.1	154.8	177.7	74.2	-87.5	0	0	0	112.6	L563 L565 M574 F585 Q586 N587 V588	Y537-L563 CarbonylContact C-O 3.51Å; Y537-L563 VanDerWaalsContact CA-O 3.24Å; Y537-L563 WeakPolarHBondContact CA-O 3.34Å; Y537-L565 HydrophobicContact CD2-CD1 4.15Å; Y537-L565 HydrophobicContact CD2-CD2 3.38Å; Y537-L565 HydrophobicContact CD2-CG 4.42Å; Y537-L565 HydrophobicContact CE2-CD2 3.83Å; Y537-L565 HydrophobicContact CG-CD1 4.41Å; Y537-L565 HydrophobicContact CG-CD2 4.25Å; Y537-M574 HydrophobicContact CD1-CE 4.09Å; Y537-M574 HydrophobicContact CE1-CE 4.33Å; Y537-M574 HydrophobicContact CE2-CB 4.26Å; Y537-M574 HydrophobicContact CG-CE 4.32Å; Y537-F585 HydrophobicContact CD1-CB 4.08Å; Y537-F585 HydrophobicContact CE1-CB 3.7Å; Y537-Q586 WeakPolarHBondContact CD1-O 3.25Å; Y537-Q586 PolarHBondContact N-O 3.03Å; Y537-Q586 VanDerWaalsContact N-O 3.14Å; Y537-N587 HydrophobicContact CE1-CB 3.93Å; Y537-N587 VanDerWaalsContact CE1-N 3.34Å; Y537-N587 HydrophobicContact CE2-CB 3.87Å; Y537-N587 WeakPolarHBondContact O-CA 3.33Å; Y537-V588 WeakPolarHBondContact O-CG2 3.26Å; Y537-V588 PolarHBondContact O-N 2.93Å
538	L	97.5	Very high	93.9	Very high	6 Å²	6	61.7 Å²	61.7	3%	0.031	30%	0.303	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.1	134.9	172.7	-177.3	58.5	0	0	0	110.2	V546 S549 F551 V552 V562 L563 L565 V588 A589	L538-V546 HydrophobicContact CD2-CB 3.84Å; L538-V546 HydrophobicContact CD2-CG1 4.17Å; L538-V546 WeakPolarHBondContact CD2-O 3.38Å; L538-V546 HydrophobicContact CG-CB 4.12Å; L538-V546 HydrophobicContact CG-CG1 4.04Å; L538-S549 VanDerWaalsContact CD2-CB 3.46Å; L538-F551 HydrophobicContact CD1-CD2 3.9Å; L538-F551 HydrophobicContact CD2-CB 4.41Å; L538-F551 HydrophobicContact CD2-CD2 4.44Å; L538-V552 HydrophobicContact CB-CG1 4.32Å; L538-V552 HydrophobicContact CD2-CG1 3.74Å; L538-V562 HydrophobicContact CB-CG1 4.39Å; L538-L563 PolarHBondContact N-O 2.95Å; L538-L565 PolarHBondContact O-N 3.44Å; L538-V588 HydrophobicContact CB-CG2 3.66Å; L538-V588 HydrophobicContact CD1-CG2 3.97Å; L538-V588 HydrophobicContact CD2-CG2 4.41Å; L538-V588 HydrophobicContact CG-CG2 4.21Å; L538-A589 HydrophobicContact CD1-CB 3.85Å
539	A	97.1	Very high	94	Very high	11 Å²	11	61 Å²	61	9%	0.091	30%	0.301	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.4	142.6	172.9	0	0	0	0	0	111.7	L565 E571 N654	A539-L565 CarbonylContact C-O 3.59Å; A539-L565 VanDerWaalsContact CA-O 3.26Å; A539-L565 WeakPolarHBondContact CA-O 3.29Å; A539-L565 HydrophobicContact CB-CB 3.9Å; A539-L565 HydrophobicContact CB-CD2 4.28Å; A539-E571 HydrophobicContact CB-CB 4.22Å; A539-E571 HydrophobicContact CB-CG 4.22Å; A539-N654 HydrophobicContact CB-CB 4.19Å; A539-N654 WeakPolarHBondContact CB-ND2 3.39Å
540	G	95.3	Very high	94.2	Very high	2 Å²	2	57.9 Å²	57.9	2%	0.021	28%	0.279	C	S	.	.			trans	-163.6	-167.1	178.7	0	0	0	0	0	111.7	L565	G540-L565 PolarHBondContact N-O 3.07Å
541	T	93.3	Very high	94.7	Very high	77 Å²	77	48.5 Å²	48.5	47%	0.472	24%	0.235	S	C	.	.	S	Bend	trans	-91.8	-24.9	-177.2	66.9	0	0	0	0	113.8	E545	T541-E545 WeakPolarHBondContact CA-OE2 3.39Å; T541-E545 VanDerWaalsContact CB-OE2 3.28Å; T541-E545 WeakPolarHBondContact CB-OE2 3.09Å; T541-E545 PolarHBondContact N-OE2 3.11Å; T541-E545 PolarHBondContact OG1-OE2 2.79Å
542	S	95.3	Very high	95.3	Very high	36 Å²	36	37.4 Å²	37.4	25%	0.252	19%	0.193	S	C	.	.	S	Bend	trans	-149.7	166.2	177.5	89	0	0	0	0	112.1	E544 E545 V546	S542-E544 VanDerWaalsContact C-N 3.31Å; S542-E544 VanDerWaalsContact CB-OE2 3.23Å; S542-E544 WeakPolarHBondContact CB-OE2 3.44Å; S542-E544 PolarHBondContact O-N 2.82Å; S542-E544 PolarHBondContact OG-N 3.27Å; S542-E544 PolarHBondContact OG-OE2 2.87Å; S542-E545 PolarHBondContact O-N 2.91Å; S542-E545 PolarHBondContact OG-N 3.39Å; S542-V546 WeakPolarHBondContact O-CG2 3.42Å; S542-V546 PolarHBondContact O-N 3.01Å
543	R	95.1	Very high	95.5	Very high	23 Å²	23	37.3 Å²	37.3	9%	0.087	19%	0.193	C	C	.	.	H	α-helix	trans	-60.7	-42.5	175.5	173.3	55.6	-176.2	-130.6	7.6	111.1	Q510 S511 H514 E545 V546 E547 F564	Q510-R543 VanDerWaalsContact OE1-CD 3.28Å; S511-R543 PolarHBondContact O-NH1 3.06Å; S511-R543 PolarHBondContact O-NH2 3.42Å; H514-R543 PolarHBondContact O-NH2 3.31Å; R543-E545 VanDerWaalsContact C-N 3.35Å; R543-E545 PolarHBondContact O-N 3.46Å; R543-V546 VanDerWaalsContact O-CG2 3.3Å; R543-V546 WeakPolarHBondContact O-CG2 3.48Å; R543-V546 PolarHBondContact O-N 3.41Å; R543-E547 IonicContact CZ-OE2 3.9Å; R543-E547 IonicContact NE-OE2 2.81Å; R543-E547 PolarHBondContact NE-OE2 3.3Å; R543-E547 IonicContact NH2-OE1 2.74Å; R543-E547 IonicContact NH2-OE2 2.9Å; R543-E547 PolarHBondContact NH2-OE2 2.87Å; R543-E547 WeakPolarHBondContact O-CB 3.32Å; R543-E547 PolarHBondContact O-N 3.49Å; R543-F564 VanDerWaalsContact NH1-CD2 3.29Å
544	E	95	Very high	95.7	Very high	132 Å²	132	30.7 Å²	30.7	62%	0.617	16%	0.163	S	C	*	.	H	α-helix	trans	-63.6	-40.9	-178.6	-58.6	71.5	-153.9	0	0	111.4	S542 S548	S542-E544 VanDerWaalsContact C-N 3.31Å; S542-E544 VanDerWaalsContact CB-OE2 3.23Å; S542-E544 WeakPolarHBondContact CB-OE2 3.44Å; S542-E544 PolarHBondContact O-N 2.82Å; S542-E544 PolarHBondContact OG-N 3.27Å; S542-E544 PolarHBondContact OG-OE2 2.87Å; E544-S548 VanDerWaalsContact O-CB 3.27Å; E544-S548 WeakPolarHBondContact O-CB 3.49Å; E544-S548 PolarHBondContact O-N 3.22Å; E544-S548 VanDerWaalsContact O-N 3.08Å; E544-S548 PolarHBondContact O-OG 3.48Å
545	E	94.5	Very high	95.7	Very high	66 Å²	66	29.1 Å²	29.1	31%	0.308	15%	0.154	S	C	.	.	H	α-helix	trans	-63	-51.3	177.5	-174.2	-167	169.7	0	0	111.2	T541 S542 R543 S548 S549	T541-E545 WeakPolarHBondContact CA-OE2 3.39Å; T541-E545 VanDerWaalsContact CB-OE2 3.28Å; T541-E545 WeakPolarHBondContact CB-OE2 3.09Å; T541-E545 PolarHBondContact N-OE2 3.11Å; T541-E545 PolarHBondContact OG1-OE2 2.79Å; S542-E545 PolarHBondContact O-N 2.91Å; S542-E545 PolarHBondContact OG-N 3.39Å; R543-E545 VanDerWaalsContact C-N 3.35Å; R543-E545 PolarHBondContact O-N 3.46Å; E545-S548 PolarHBondContact O-N 3.1Å; E545-S548 PolarHBondContact O-OG 3.29Å; E545-S549 PolarHBondContact O-N 3.49Å
546	V	96	Very high	95.6	Very high	2 Å²	2	32 Å²	32	1%	0.012	17%	0.169	C	C	.	.	H	α-helix	trans	-71.8	-33.1	-175.5	-61.8	0	0	0	0	112.5	L538 S542 R543 S549 V552 F564 V566	L538-V546 HydrophobicContact CD2-CB 3.84Å; L538-V546 HydrophobicContact CD2-CG1 4.17Å; L538-V546 WeakPolarHBondContact CD2-O 3.38Å; L538-V546 HydrophobicContact CG-CB 4.12Å; L538-V546 HydrophobicContact CG-CG1 4.04Å; S542-V546 WeakPolarHBondContact O-CG2 3.42Å; S542-V546 PolarHBondContact O-N 3.01Å; R543-V546 VanDerWaalsContact O-CG2 3.3Å; R543-V546 WeakPolarHBondContact O-CG2 3.48Å; R543-V546 PolarHBondContact O-N 3.41Å; V546-S549 VanDerWaalsContact O-CB 3.25Å; V546-S549 WeakPolarHBondContact O-CB 3.43Å; V546-S549 PolarHBondContact O-N 2.97Å; V546-V552 WeakPolarHBondContact O-CG2 3.37Å; V546-F564 HydrophobicContact CB-CD1 4.1Å; V546-F564 HydrophobicContact CB-CG 4.41Å; V546-F564 HydrophobicContact CG2-CB 3.67Å; V546-F564 HydrophobicContact CG2-CD1 3.71Å; V546-F564 HydrophobicContact CG2-CD2 4.04Å; V546-F564 HydrophobicContact CG2-CE1 4.38Å; V546-F564 HydrophobicContact CG2-CG 3.53Å; V546-V566 HydrophobicContact CG2-CG1 4.44Å
547	E	95	Very high	95.5	Very high	93 Å²	93	39 Å²	39	44%	0.435	20%	0.199	S	C	.	.	H	α-helix	trans	-72.8	-33.9	177.3	-174.2	162.6	-168.4	0	0	112.3	R543 S549 F564	R543-E547 IonicContact CZ-OE2 3.9Å; R543-E547 IonicContact NE-OE2 2.81Å; R543-E547 PolarHBondContact NE-OE2 3.3Å; R543-E547 IonicContact NH2-OE1 2.74Å; R543-E547 IonicContact NH2-OE2 2.9Å; R543-E547 PolarHBondContact NH2-OE2 2.87Å; R543-E547 WeakPolarHBondContact O-CB 3.32Å; R543-E547 PolarHBondContact O-N 3.49Å; E547-S549 VanDerWaalsContact C-N 3.33Å; E547-F564 HydrophobicContact CB-CE2 4.07Å; E547-F564 HydrophobicContact CB-CZ 4.28Å; E547-F564 HydrophobicContact CG-CE2 4.32Å
548	S	94.4	Very high	95.2	Very high	69 Å²	69	42.8 Å²	42.8	48%	0.483	22%	0.216	S	C	.	.	H	α-helix	trans	-86.6	-2.8	175.8	67.3	0	0	0	0	114.1	E544 E545	E544-S548 VanDerWaalsContact O-CB 3.27Å; E544-S548 WeakPolarHBondContact O-CB 3.49Å; E544-S548 PolarHBondContact O-N 3.22Å; E544-S548 VanDerWaalsContact O-N 3.08Å; E544-S548 PolarHBondContact O-OG 3.48Å; E545-S548 PolarHBondContact O-N 3.1Å; E545-S548 PolarHBondContact O-OG 3.29Å
549	S	96.2	Very high	95	Very high	12 Å²	12	45.9 Å²	45.9	8%	0.084	25%	0.249	C	C	.	.			trans	-61.5	140.9	-176.2	-178.4	0	0	0	0	112.8	L538 E545 V546 E547 F551 V552	L538-S549 VanDerWaalsContact CD2-CB 3.46Å; E545-S549 PolarHBondContact O-N 3.49Å; V546-S549 VanDerWaalsContact O-CB 3.25Å; V546-S549 WeakPolarHBondContact O-CB 3.43Å; V546-S549 PolarHBondContact O-N 2.97Å; E547-S549 VanDerWaalsContact C-N 3.33Å; S549-F551 PolarHBondContact O-N 3.09Å; S549-F551 VanDerWaalsContact O-N 3.14Å; S549-F551 WeakPolarHBondContact OG-CD2 3.33Å; S549-F551 PolarHBondContact OG-N 3.27Å; S549-V552 WeakPolarHBondContact O-CG2 3.06Å; S549-V552 PolarHBondContact O-N 3.39Å
550	P	95.7	Very high	94.8	Very high	1 Å²	1	46.9 Å²	46.9	1%	0.006	25%	0.253	C	S	.	.	T	Hydrogen-bonded Turn	trans	-59.3	-23.8	173.3	25.1	-34.5	0	0	0	113.4	V552 L637 A643 R721	P550-V552 VanDerWaalsContact C-N 3.34Å; P550-V552 PolarHBondContact O-N 2.98Å; P550-L637 HydrophobicContact CB-CD2 3.64Å; P550-A643 HydrophobicContact CB-CB 4.13Å; P550-A643 HydrophobicContact CG-CB 4.09Å; P550-R721 HydrophobicContact CG-CB 4.43Å
551	F	97	Very high	94.9	Very high	4 Å²	4	47.7 Å²	47.7	2%	0.018	26%	0.256	C	S	.	.	T	Hydrogen-bonded Turn	trans	-70.2	-26.5	-174.9	-61.2	-51.1	0	0	0	114.6	L538 S549 V588 A589 A643 L644 V645	L538-F551 HydrophobicContact CD1-CD2 3.9Å; L538-F551 HydrophobicContact CD2-CB 4.41Å; L538-F551 HydrophobicContact CD2-CD2 4.44Å; S549-F551 PolarHBondContact O-N 3.09Å; S549-F551 VanDerWaalsContact O-N 3.14Å; S549-F551 WeakPolarHBondContact OG-CD2 3.33Å; S549-F551 PolarHBondContact OG-N 3.27Å; F551-V588 HydrophobicContact CB-CB 4.43Å; F551-V588 HydrophobicContact CB-CG2 3.89Å; F551-V588 WeakPolarHBondContact CB-O 3.38Å; F551-V588 WeakPolarHBondContact CD1-O 3.42Å; F551-V588 WeakPolarHBondContact CG-O 3.25Å; F551-A589 HydrophobicContact CD2-CB 3.85Å; F551-A589 HydrophobicContact CE2-CB 3.74Å; F551-A589 HydrophobicContact CG-CB 4.35Å; F551-A589 HydrophobicContact CZ-CB 4.14Å; F551-A643 HydrophobicContact CD1-CB 4.38Å; F551-A643 HydrophobicContact CE1-CB 3.88Å; F551-L644 VanDerWaalsContact CZ-O 3.28Å; F551-L644 WeakPolarHBondContact CZ-O 3.08Å; F551-V645 HydrophobicContact CD1-CG2 4.37Å; F551-V645 HydrophobicContact CE1-CG2 3.76Å
552	V	96.7	Very high	95.1	Very high	1 Å²	1	44 Å²	44	1%	0.006	23%	0.234	C	C	.	.	T	Hydrogen-bonded Turn	trans	-96.8	-13	-174.4	-60.5	0	0	0	0	112.8	L538 V546 S549 P550 R554 L555 L556 V562 F564 V588	L538-V552 HydrophobicContact CB-CG1 4.32Å; L538-V552 HydrophobicContact CD2-CG1 3.74Å; V546-V552 WeakPolarHBondContact O-CG2 3.37Å; S549-V552 WeakPolarHBondContact O-CG2 3.06Å; S549-V552 PolarHBondContact O-N 3.39Å; P550-V552 VanDerWaalsContact C-N 3.34Å; P550-V552 PolarHBondContact O-N 2.98Å; V552-R554 PolarHBondContact O-N 2.79Å; V552-L555 WeakPolarHBondContact O-CB 3.3Å; V552-L555 PolarHBondContact O-N 3.4Å; V552-L555 VanDerWaalsContact O-N 3.08Å; V552-L556 HydrophobicContact CB-CD1 4.09Å; V552-L556 HydrophobicContact CB-CG 4.11Å; V552-L556 HydrophobicContact CG2-CD1 3.73Å; V552-L556 HydrophobicContact CG2-CG 4.3Å; V552-L556 WeakPolarHBondContact O-CG 3.47Å; V552-L556 PolarHBondContact O-N 3.28Å; V552-V562 HydrophobicContact CG1-CG1 4.04Å; V552-V562 HydrophobicContact CG1-CG2 4.42Å; V552-F564 HydrophobicContact CG1-CE1 4.13Å; V552-V588 HydrophobicContact CG1-CG2 4.05Å
553	E	96	Very high	95.2	Very high	14 Å²	14	42.3 Å²	42.3	7%	0.065	22%	0.222	C	C	.	.	H	α-helix	trans	-51.2	-54.7	-169	-67.9	-177.3	177.7	0	0	114.3	K557 T638 K639 S640 R721	E553-K557 WeakPolarHBondContact O-CB 3.23Å; E553-K557 PolarHBondContact O-N 3.47Å; E553-T638 HydrophobicContact CB-CG2 4.15Å; E553-T638 WeakPolarHBondContact CB-OG1 3.49Å; E553-T638 WeakPolarHBondContact OE2-CA 3.4Å; E553-T638 PolarHBondContact OE2-N 3.48Å; E553-T638 PolarHBondContact OE2-OG1 3.11Å; E553-T638 VanDerWaalsContact OE2-OG1 3.11Å; E553-K639 HydrophobicContact CG-CG 4.34Å; E553-K639 VanDerWaalsContact OE1-CE 3.23Å; E553-K639 WeakPolarHBondContact OE1-CE 3.12Å; E553-K639 WeakPolarHBondContact OE1-CG 3.31Å; E553-K639 WeakPolarHBondContact OE2-CG 3.43Å; E553-K639 PolarHBondContact OE2-N 3.08Å; E553-S640 WeakPolarHBondContact OE1-CB 3.49Å; E553-S640 PolarHBondContact OE1-OG 2.98Å; E553-S640 PolarHBondContact OE2-N 3.41Å; E553-R721 IonicContact OE1-NH2 2.9Å
554	R	94.6	Very high	95.4	Very high	31 Å²	31	41.2 Å²	41.2	12%	0.117	22%	0.218	C	C	.	.	H	α-helix	trans	-74.5	-29.5	-178.6	-162.6	173.9	-55.4	175.9	-2.5	112.4	V552 K557 K558 L595 S634 Q635 R636 L637 T638	V552-R554 PolarHBondContact O-N 2.79Å; R554-K557 PolarHBondContact O-N 2.82Å; R554-K558 HydrophobicContact CG-CG 4.43Å; R554-K558 WeakPolarHBondContact O-CB 3.39Å; R554-K558 WeakPolarHBondContact O-CG 3.35Å; R554-K558 PolarHBondContact O-N 3.37Å; R554-L595 HydrophobicContact CB-CD1 4.26Å; R554-L595 HydrophobicContact CG-CD1 4.32Å; R554-S634 PolarHBondContact NH2-O 2.85Å; R554-Q635 WeakPolarHBondContact CD-O 3.35Å; R554-Q635 PolarHBondContact NE-O 3.04Å; R554-Q635 VanDerWaalsContact NE-O 3.14Å; R554-Q635 PolarHBondContact NH1-O 3.47Å; R554-Q635 VanDerWaalsContact NH1-O 3.12Å; R554-R636 WeakPolarHBondContact CB-O 3.28Å; R554-R636 PolarHBondContact N-O 2.94Å; R554-L637 PolarHBondContact NE-O 3.1Å; R554-L637 VanDerWaalsContact NE-O 3.15Å; R554-L637 PolarHBondContact NH2-O 3.19Å; R554-T638 HydrophobicContact CB-CG2 3.67Å; R554-T638 HydrophobicContact CG-CG2 4.01Å
555	L	94.7	Very high	95.5	Very high	0 Å²	0	35 Å²	35	0%	0	19%	0.189	C	C	.	.	H	α-helix	trans	-62.3	-52.4	175.2	-74.9	159.5	0	0	0	110.2	Y536 V552 K557 K558 G559 I560 V562 V588 L593 L595	Y536-L555 HydrophobicContact CD1-CD2 4.29Å; Y536-L555 HydrophobicContact CD2-CD2 4.02Å; Y536-L555 HydrophobicContact CE1-CD2 4.39Å; Y536-L555 HydrophobicContact CE2-CD2 4.1Å; Y536-L555 HydrophobicContact CG-CD2 4.1Å; V552-L555 WeakPolarHBondContact O-CB 3.3Å; V552-L555 PolarHBondContact O-N 3.4Å; V552-L555 VanDerWaalsContact O-N 3.08Å; L555-K557 VanDerWaalsContact C-N 3.35Å; L555-K557 PolarHBondContact O-N 3.04Å; L555-K558 CarbonylContact O-C 3.53Å; L555-K558 PolarHBondContact O-N 3.13Å; L555-K558 VanDerWaalsContact O-N 3.08Å; L555-G559 PolarHBondContact O-N 3.2Å; L555-G559 VanDerWaalsContact O-N 3.17Å; L555-I560 HydrophobicContact CB-CB 4.41Å; L555-I560 HydrophobicContact CD2-CB 4Å; L555-I560 HydrophobicContact CD2-CD1 3.96Å; L555-I560 HydrophobicContact CD2-CG2 3.85Å; L555-I560 PolarHBondContact O-N 3.49Å; L555-V562 HydrophobicContact CB-CG2 3.95Å; L555-V562 HydrophobicContact CD1-CG2 3.97Å; L555-V562 HydrophobicContact CG-CG2 4.5Å; L555-V588 HydrophobicContact CD1-CB 4.02Å; L555-V588 HydrophobicContact CD1-CG1 3.43Å; L555-V588 VanDerWaalsContact CD1-CG1 3.43Å; L555-L593 HydrophobicContact CD1-CD1 4.41Å; L555-L593 HydrophobicContact CD2-CD1 4.31Å; L555-L595 HydrophobicContact CD2-CD1 4.27Å; L555-L595 HydrophobicContact CD2-CD2 3.73Å; L555-L595 HydrophobicContact CG-CD1 4.29Å
556	L	95	Very high	95.6	Very high	61 Å²	61	33.1 Å²	33.1	32%	0.319	18%	0.182	S	C	.	.	H	α-helix	trans	-61.8	-42.4	177	-61.3	-177.2	0	0	0	111.5	V552 K558 G559 V562	V552-L556 HydrophobicContact CB-CD1 4.09Å; V552-L556 HydrophobicContact CB-CG 4.11Å; V552-L556 HydrophobicContact CG2-CD1 3.73Å; V552-L556 HydrophobicContact CG2-CG 4.3Å; V552-L556 WeakPolarHBondContact O-CG 3.47Å; V552-L556 PolarHBondContact O-N 3.28Å; L556-K558 VanDerWaalsContact C-N 3.25Å; L556-K558 PolarHBondContact O-N 2.88Å; L556-G559 PolarHBondContact O-N 3.42Å; L556-V562 HydrophobicContact CD2-CG2 4.43Å
557	K	93.8	Very high	95.5	Very high	165 Å²	165	35.8 Å²	35.8	72%	0.717	20%	0.196	S	C	*	.	H	α-helix	trans	-61.5	-31.5	175.1	-172.7	174.1	-177.7	173.4	0	113.1	E553 R554 L555 G559 T638	E553-K557 WeakPolarHBondContact O-CB 3.23Å; E553-K557 PolarHBondContact O-N 3.47Å; R554-K557 PolarHBondContact O-N 2.82Å; L555-K557 VanDerWaalsContact C-N 3.35Å; L555-K557 PolarHBondContact O-N 3.04Å; K557-G559 VanDerWaalsContact C-N 3.28Å; K557-T638 HydrophobicContact CD-CG2 3.94Å
558	K	91.3	Very high	95.3	Very high	93 Å²	93	35.1 Å²	35.1	40%	0.404	20%	0.199	S	C	.	.	T	Hydrogen-bonded Turn	trans	-84.4	1.4	174.4	-73.5	-170.8	179.5	-172.9	0	112.8	R554 L555 L556 I560 L595 E596	R554-K558 HydrophobicContact CG-CG 4.43Å; R554-K558 WeakPolarHBondContact O-CB 3.39Å; R554-K558 WeakPolarHBondContact O-CG 3.35Å; R554-K558 PolarHBondContact O-N 3.37Å; L555-K558 CarbonylContact O-C 3.53Å; L555-K558 PolarHBondContact O-N 3.13Å; L555-K558 VanDerWaalsContact O-N 3.08Å; L556-K558 VanDerWaalsContact C-N 3.25Å; L556-K558 PolarHBondContact O-N 2.88Å; K558-I560 VanDerWaalsContact C-N 3.3Å; K558-I560 HydrophobicContact CB-CD1 4Å; K558-I560 HydrophobicContact CB-CG1 4.05Å; K558-L595 PolarHBondContact NZ-O 2.85Å; K558-E596 IonicContact NZ-OE1 3.1Å; K558-E596 PolarHBondContact NZ-OE1 3.05Å
559	G	92.5	Very high	95.3	Very high	70 Å²	70	32.6 Å²	32.6	72%	0.722	18%	0.181	S	C	*	.	T	Hydrogen-bonded Turn	trans	70.9	23.1	-177.9	0	0	0	0	0	113.8	L555 L556 K557	L555-G559 PolarHBondContact O-N 3.2Å; L555-G559 VanDerWaalsContact O-N 3.17Å; L556-G559 PolarHBondContact O-N 3.42Å; K557-G559 VanDerWaalsContact C-N 3.28Å
560	I	94.1	Very high	95.3	Very high	32 Å²	32	32.1 Å²	32.1	16%	0.164	18%	0.178	C	C	.	.			trans	-90	125.5	179.6	-57.3	173.5	0	0	0	108.8	Y536 L555 K558 L595	Y536-I560 HydrophobicContact CD2-CG2 3.44Å; Y536-I560 VanDerWaalsContact CD2-CG2 3.44Å; Y536-I560 HydrophobicContact CE2-CG2 3.63Å; L555-I560 HydrophobicContact CB-CB 4.41Å; L555-I560 HydrophobicContact CD2-CB 4Å; L555-I560 HydrophobicContact CD2-CD1 3.96Å; L555-I560 HydrophobicContact CD2-CG2 3.85Å; L555-I560 PolarHBondContact O-N 3.49Å; K558-I560 VanDerWaalsContact C-N 3.3Å; K558-I560 HydrophobicContact CB-CD1 4Å; K558-I560 HydrophobicContact CB-CG1 4.05Å; I560-L595 HydrophobicContact CD1-CD2 4Å
561	E	97	Very high	95.2	Very high	19 Å²	19	32.1 Å²	32.1	9%	0.089	18%	0.178	C	C	.	.			trans	-67.6	135.9	179.9	-169.5	176.4	166.9	0	0	111.6	S511 S512 H513 Y524 R527	S511-E561 WeakPolarHBondContact CB-OE1 3.35Å; S511-E561 WeakPolarHBondContact OG-CG 3.5Å; S511-E561 PolarHBondContact OG-OE1 3.43Å; S512-E561 WeakPolarHBondContact OG-CA 3.47Å; H513-E561 HydrophobicContact CB-CG 4.01Å; Y524-E561 HydrophobicContact CD2-CB 4.26Å; Y524-E561 VanDerWaalsContact CD2-CD 3.5Å; Y524-E561 HydrophobicContact CD2-CG 3.78Å; Y524-E561 HydrophobicContact CE2-CB 3.71Å; Y524-E561 HydrophobicContact CE2-CG 3.6Å; Y524-E561 WeakPolarHBondContact CE2-O 3.5Å; Y524-E561 PolarHBondContact OH-O 2.84Å; R527-E561 IonicContact CZ-OE1 3.66Å; R527-E561 IonicContact CZ-OE2 3.68Å; R527-E561 IonicContact NE-OE1 3.94Å; R527-E561 IonicContact NE-OE2 3.74Å; R527-E561 PolarHBondContact NE-OE2 2.76Å; R527-E561 IonicContact NH2-OE1 3.96Å; R527-E561 PolarHBondContact NH2-OE1 3.21Å; R527-E561 IonicContact NH2-OE2 2.85Å
562	V	97.6	Very high	95	Very high	0 Å²	0	35.4 Å²	35.4	0%	0	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.1	129	175.5	-175	0	0	0	0	109.4	S511 S512 Y536 L538 V552 L555 L556 F564	S511-V562 WeakPolarHBondContact CA-O 3.46Å; S512-V562 PolarHBondContact N-O 3.47Å; S512-V562 PolarHBondContact OG-N 3.21Å; Y536-V562 WeakPolarHBondContact O-CA 3.21Å; L538-V562 HydrophobicContact CB-CG1 4.39Å; V552-V562 HydrophobicContact CG1-CG1 4.04Å; V552-V562 HydrophobicContact CG1-CG2 4.42Å; L555-V562 HydrophobicContact CB-CG2 3.95Å; L555-V562 HydrophobicContact CD1-CG2 3.97Å; L555-V562 HydrophobicContact CG-CG2 4.5Å; L556-V562 HydrophobicContact CD2-CG2 4.43Å; V562-F564 HydrophobicContact CB-CE1 3.96Å; V562-F564 HydrophobicContact CG1-CD1 4.12Å; V562-F564 HydrophobicContact CG1-CE1 3.84Å
563	L	98.1	Very high	94.9	Very high	0 Å²	0	35.4 Å²	35.4	0%	0	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-76.4	136.6	170.9	-61.4	178.3	0	0	0	110.4	F509 T519 L521 Y524 I535 Y536 Y537 L538 L565	F509-L563 HydrophobicContact CB-CB 4.49Å; F509-L563 HydrophobicContact CB-CD2 4.32Å; F509-L563 HydrophobicContact CD2-CD1 4.14Å; T519-L563 HydrophobicContact CG2-CD2 4.19Å; L521-L563 HydrophobicContact CD2-CD1 3.63Å; Y524-L563 HydrophobicContact CD2-CD1 4.31Å; Y524-L563 HydrophobicContact CD2-CD2 3.56Å; Y524-L563 HydrophobicContact CD2-CG 3.76Å; Y524-L563 HydrophobicContact CE2-CD2 4.16Å; Y524-L563 HydrophobicContact CE2-CG 3.95Å; Y524-L563 HydrophobicContact CG-CD2 4.38Å; I535-L563 HydrophobicContact CG2-CD1 3.72Å; I535-L563 HydrophobicContact CG2-CG 4.4Å; Y536-L563 PolarHBondContact O-N 3.06Å; Y537-L563 CarbonylContact C-O 3.51Å; Y537-L563 VanDerWaalsContact CA-O 3.24Å; Y537-L563 WeakPolarHBondContact CA-O 3.34Å; L538-L563 PolarHBondContact N-O 2.95Å; L563-L565 HydrophobicContact CB-CD1 3.9Å
564	F	98	Very high	94.9	Very high	1 Å²	1	34.8 Å²	34.8	0%	0.004	19%	0.188	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.6	120.3	179.9	-65.9	-26.3	0	0	0	110.2	Q510 R543 V546 E547 V552 V562	Q510-F564 HydrophobicContact CB-CB 4.05Å; Q510-F564 PolarHBondContact N-O 3.14Å; Q510-F564 PolarHBondContact O-N 2.69Å; R543-F564 VanDerWaalsContact NH1-CD2 3.29Å; V546-F564 HydrophobicContact CB-CD1 4.1Å; V546-F564 HydrophobicContact CB-CG 4.41Å; V546-F564 HydrophobicContact CG2-CB 3.67Å; V546-F564 HydrophobicContact CG2-CD1 3.71Å; V546-F564 HydrophobicContact CG2-CD2 4.04Å; V546-F564 HydrophobicContact CG2-CE1 4.38Å; V546-F564 HydrophobicContact CG2-CG 3.53Å; E547-F564 HydrophobicContact CB-CE2 4.07Å; E547-F564 HydrophobicContact CB-CZ 4.28Å; E547-F564 HydrophobicContact CG-CE2 4.32Å; V552-F564 HydrophobicContact CG1-CE1 4.13Å; V562-F564 HydrophobicContact CB-CE1 3.96Å; V562-F564 HydrophobicContact CG1-CD1 4.12Å; V562-F564 HydrophobicContact CG1-CE1 3.84Å
565	L	97.5	Very high	94.7	Very high	1 Å²	1	37.3 Å²	37.3	1%	0.005	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.2	109.8	-172.4	-74.4	57.8	0	0	0	106.8	F509 Y537 L538 A539 G540 L563 D570 M574	F509-L565 HydrophobicContact CD1-CD1 4.23Å; F509-L565 HydrophobicContact CD1-CG 4.1Å; F509-L565 HydrophobicContact CE1-CG 4.13Å; Y537-L565 HydrophobicContact CD2-CD1 4.15Å; Y537-L565 HydrophobicContact CD2-CD2 3.38Å; Y537-L565 HydrophobicContact CD2-CG 4.42Å; Y537-L565 HydrophobicContact CE2-CD2 3.83Å; Y537-L565 HydrophobicContact CG-CD1 4.41Å; Y537-L565 HydrophobicContact CG-CD2 4.25Å; L538-L565 PolarHBondContact O-N 3.44Å; A539-L565 CarbonylContact C-O 3.59Å; A539-L565 VanDerWaalsContact CA-O 3.26Å; A539-L565 WeakPolarHBondContact CA-O 3.29Å; A539-L565 HydrophobicContact CB-CB 3.9Å; A539-L565 HydrophobicContact CB-CD2 4.28Å; G540-L565 PolarHBondContact N-O 3.07Å; L563-L565 HydrophobicContact CB-CD1 3.9Å; L565-D570 VanDerWaalsContact CA-OD2 3.31Å; L565-D570 WeakPolarHBondContact CA-OD2 3.41Å; L565-D570 HydrophobicContact CB-CB 3.58Å; L565-D570 HydrophobicContact CD2-CB 4.08Å; L565-D570 HydrophobicContact CG-CB 3.82Å; L565-M574 HydrophobicContact CD2-CB 4.22Å; L565-M574 HydrophobicContact CD2-CG 3.56Å; L565-M574 HydrophobicContact CG-CG 4.45Å
566	V	95.6	Very high	94.7	Very high	27 Å²	27	39 Å²	39	16%	0.164	22%	0.215	C	C	.	.			trans	-119	-14.9	-169.7	-61.6	0	0	0	0	112.1	V546 D570	V546-V566 HydrophobicContact CG2-CG1 4.44Å; V566-D570 PolarHBondContact N-OD2 3.39Å
567	D	94.7	Very high	94.6	Very high	57 Å²	57	36.6 Å²	36.6	31%	0.305	20%	0.203	S	C	.	.	S	Bend	trans	-86.5	141.5	175.9	-62.7	-44.1	0	0	0	110.1	K490 V569 D570	K490-D567 IonicContact NZ-OD2 3.24Å; K490-D567 PolarHBondContact NZ-OD2 3.37Å; D567-V569 HydrophobicContact CB-CG1 4.17Å; D567-V569 PolarHBondContact O-N 3.13Å; D567-D570 PolarHBondContact N-OD2 3.44Å; D567-D570 VanDerWaalsContact O-CB 3.25Å; D567-D570 WeakPolarHBondContact O-CB 3.33Å; D567-D570 PolarHBondContact O-N 3.22Å
568	P	91.9	Very high	94.5	Very high	79 Å²	79	33.2 Å²	33.2	51%	0.513	20%	0.197	S	C	.	.	H	α-helix	trans	-52.3	-33.1	177.8	-31	36.9	0	0	0	114.8	D570 Y572 L658	P568-D570 VanDerWaalsContact C-N 3.32Å; P568-Y572 WeakPolarHBondContact O-CD2 3.36Å; P568-L658 HydrophobicContact CB-CD2 3.7Å; P568-L658 HydrophobicContact CG-CD2 4.45Å; P568-L658 WeakPolarHBondContact O-CD1 3.28Å
569	V	93.9	Very high	94.7	Very high	16 Å²	16	33.6 Å²	33.6	10%	0.097	20%	0.201	C	C	.	.	H	α-helix	trans	-75.9	-18.5	-179.6	67.5	0	0	0	0	113.1	N487 K490 M491 F494 D567 E571 Y572 C573	N487-V569 HydrophobicContact CB-CG1 4.37Å; K490-V569 HydrophobicContact CB-CG1 3.92Å; K490-V569 HydrophobicContact CB-CG2 3.96Å; K490-V569 HydrophobicContact CD-CG1 3.57Å; K490-V569 HydrophobicContact CG-CG1 4.41Å; M491-V569 HydrophobicContact CG-CG2 4.18Å; M491-V569 HydrophobicContact SD-CG2 3.5Å; M491-V569 WeakPolarHBondContact SD-CG2 3.27Å; F494-V569 HydrophobicContact CE1-CG2 3.75Å; F494-V569 HydrophobicContact CZ-CG2 4.27Å; D567-V569 HydrophobicContact CB-CG1 4.17Å; D567-V569 PolarHBondContact O-N 3.13Å; V569-E571 PolarHBondContact O-N 3.42Å; V569-Y572 PolarHBondContact O-N 2.83Å; V569-C573 WeakPolarHBondContact O-CB 3.47Å; V569-C573 PolarHBondContact O-N 3.27Å
570	D	96.1	Very high	94.8	Very high	3 Å²	3	30.6 Å²	30.6	2%	0.016	17%	0.168	C	C	.	.	H	α-helix	trans	-61.4	-44.9	-171.6	-75.4	-23.6	0	0	0	112.5	K490 F509 L565 V566 D567 P568 Y572 C573 M574	K490-D570 WeakPolarHBondContact CD-OD1 3.16Å; K490-D570 WeakPolarHBondContact CE-OD1 3.49Å; K490-D570 IonicContact NZ-OD1 3.26Å; K490-D570 PolarHBondContact NZ-OD1 2.92Å; K490-D570 IonicContact NZ-OD2 3.44Å; F509-D570 HydrophobicContact CE1-CB 4.33Å; L565-D570 VanDerWaalsContact CA-OD2 3.31Å; L565-D570 WeakPolarHBondContact CA-OD2 3.41Å; L565-D570 HydrophobicContact CB-CB 3.58Å; L565-D570 HydrophobicContact CD2-CB 4.08Å; L565-D570 HydrophobicContact CG-CB 3.82Å; V566-D570 PolarHBondContact N-OD2 3.39Å; D567-D570 PolarHBondContact N-OD2 3.44Å; D567-D570 VanDerWaalsContact O-CB 3.25Å; D567-D570 WeakPolarHBondContact O-CB 3.33Å; D567-D570 PolarHBondContact O-N 3.22Å; P568-D570 VanDerWaalsContact C-N 3.32Å; D570-Y572 VanDerWaalsContact C-N 3.33Å; D570-Y572 PolarHBondContact O-N 2.89Å; D570-C573 WeakPolarHBondContact O-CB 3.49Å; D570-C573 PolarHBondContact O-N 3.27Å; D570-M574 WeakPolarHBondContact O-CG 3.44Å; D570-M574 PolarHBondContact O-N 2.95Å
571	E	93.8	Very high	94.8	Very high	1 Å²	1	33.7 Å²	33.7	1%	0.005	18%	0.184	C	C	.	.	H	α-helix	trans	-70.6	-33.2	-176.5	-158.5	171.4	179.5	0	0	111.5	A539 V569 N575 N587 S652 N654 M655	A539-E571 HydrophobicContact CB-CB 4.22Å; A539-E571 HydrophobicContact CB-CG 4.22Å; V569-E571 PolarHBondContact O-N 3.42Å; E571-N575 VanDerWaalsContact O-CB 3.32Å; E571-N575 WeakPolarHBondContact O-CB 3.27Å; E571-N575 PolarHBondContact O-N 2.91Å; E571-N575 PolarHBondContact O-ND2 2.93Å; E571-N587 PolarHBondContact OE1-ND2 2.95Å; E571-S652 VanDerWaalsContact CD-OG 3.3Å; E571-S652 WeakPolarHBondContact OE1-CB 3.29Å; E571-S652 PolarHBondContact OE1-OG 2.74Å; E571-S652 PolarHBondContact OE2-OG 2.9Å; E571-N654 WeakPolarHBondContact OE2-CB 3.2Å; E571-N654 PolarHBondContact OE2-ND2 3.4Å; E571-M655 HydrophobicContact CB-CE 3.7Å; E571-M655 HydrophobicContact CG-CE 3.54Å; E571-M655 PolarHBondContact OE2-N 2.73Å; E571-M655 VanDerWaalsContact OE2-N 3.17Å
572	Y	92.5	Very high	94.7	Very high	73 Å²	73	35.3 Å²	35.3	29%	0.286	21%	0.206	S	C	.	.	H	α-helix	trans	-65	-43.7	170.2	-68.6	-87.3	0	0	0	112.1	P568 V569 D570 S576 L658 M659	P568-Y572 WeakPolarHBondContact O-CD2 3.36Å; V569-Y572 PolarHBondContact O-N 2.83Å; D570-Y572 VanDerWaalsContact C-N 3.33Å; D570-Y572 PolarHBondContact O-N 2.89Å; Y572-S576 PolarHBondContact O-N 2.92Å; Y572-S576 PolarHBondContact O-OG 3.46Å; Y572-L658 HydrophobicContact CE2-CB 4.47Å; Y572-L658 HydrophobicContact CE2-CD1 4.14Å; Y572-M659 HydrophobicContact CD1-CE 4.45Å; Y572-M659 HydrophobicContact CE1-CE 3.34Å; Y572-M659 VanDerWaalsContact CZ-CE 3.43Å; Y572-M659 WeakPolarHBondContact OH-CE 3.3Å
573	C	95.4	Very high	94.5	Very high	0 Å²	0	38.2 Å²	38.2	0%	0	22%	0.219	C	C	.	.	H	α-helix	trans	-58.1	-49.6	175.9	174.8	0	0	0	0	110.8	K490 V569 D570 S576 L577	K490-C573 HydrophobicContact CB-CB 4.1Å; V569-C573 WeakPolarHBondContact O-CB 3.47Å; V569-C573 PolarHBondContact O-N 3.27Å; D570-C573 WeakPolarHBondContact O-CB 3.49Å; D570-C573 PolarHBondContact O-N 3.27Å; C573-S576 PolarHBondContact O-N 2.84Å; C573-L577 PolarHBondContact O-N 2.89Å
574	M	94.6	Very high	94.4	Very high	2 Å²	2	44.7 Å²	44.7	1%	0.01	25%	0.247	C	C	.	.	H	α-helix	trans	-69.8	-37.6	-177.7	-68.9	-62.3	-66.5	0	0	113.1	F509 Y537 L565 D570 S576 L577 F585	F509-M574 HydrophobicContact CE2-SD 3.73Å; F509-M574 HydrophobicContact CZ-CG 4.01Å; F509-M574 HydrophobicContact CZ-SD 3.53Å; F509-M574 VanDerWaalsContact CZ-SD 3.53Å; Y537-M574 HydrophobicContact CD1-CE 4.09Å; Y537-M574 HydrophobicContact CE1-CE 4.33Å; Y537-M574 HydrophobicContact CE2-CB 4.26Å; Y537-M574 HydrophobicContact CG-CE 4.32Å; L565-M574 HydrophobicContact CD2-CB 4.22Å; L565-M574 HydrophobicContact CD2-CG 3.56Å; L565-M574 HydrophobicContact CG-CG 4.45Å; D570-M574 WeakPolarHBondContact O-CG 3.44Å; D570-M574 PolarHBondContact O-N 2.95Å; M574-S576 PolarHBondContact O-N 3.39Å; M574-L577 PolarHBondContact O-N 2.96Å; M574-L577 VanDerWaalsContact O-N 3.11Å; M574-L577 HydrophobicContact SD-CD1 4.01Å; M574-F585 HydrophobicContact CE-CB 4.33Å; M574-F585 HydrophobicContact CE-CD1 3.21Å; M574-F585 HydrophobicContact CE-CD2 4.43Å; M574-F585 HydrophobicContact CE-CE1 3.41Å; M574-F585 VanDerWaalsContact CE-CE1 3.41Å; M574-F585 HydrophobicContact CE-CG 3.75Å; M574-F585 HydrophobicContact CE-CZ 4.11Å; M574-F585 HydrophobicContact SD-CE1 4.48Å
575	N	91.5	Very high	94.3	Very high	84 Å²	84	46 Å²	46	45%	0.449	25%	0.253	S	S	.	.	H	α-helix	trans	-64.4	-21	174.8	-71.6	-19.6	0	0	0	113	E571 M655	E571-N575 VanDerWaalsContact O-CB 3.32Å; E571-N575 WeakPolarHBondContact O-CB 3.27Å; E571-N575 PolarHBondContact O-N 2.91Å; E571-N575 PolarHBondContact O-ND2 2.93Å; N575-M655 WeakPolarHBondContact ND2-CE 3.35Å
576	S	93.1	Very high	94.2	Very high	36 Å²	36	47.7 Å²	47.7	25%	0.252	26%	0.261	S	S	.	.	T	Hydrogen-bonded Turn	trans	-89.8	-8	178	-58.1	0	0	0	0	113.6	F494 R500 Y572 C573 M574 P578	F494-S576 VanDerWaalsContact CB-CB 3.5Å; F494-S576 WeakPolarHBondContact CB-OG 3.48Å; R500-S576 WeakPolarHBondContact CD-O 3.48Å; R500-S576 VanDerWaalsContact CZ-O 3.31Å; R500-S576 PolarHBondContact NE-O 2.85Å; R500-S576 PolarHBondContact NH1-O 3.47Å; Y572-S576 PolarHBondContact O-N 2.92Å; Y572-S576 PolarHBondContact O-OG 3.46Å; C573-S576 PolarHBondContact O-N 2.84Å; M574-S576 PolarHBondContact O-N 3.39Å; S576-P578 WeakPolarHBondContact O-CD 3.28Å
577	L	94	Very high	94.2	Very high	10 Å²	10	46.6 Å²	46.6	5%	0.052	25%	0.254	C	S	.	.			trans	-98.9	107.5	176.9	-71.1	171.7	0	0	0	110	V493 R500 L521 C573 M574 F585	V493-L577 HydrophobicContact CG1-CD1 4.02Å; V493-L577 HydrophobicContact CG1-CD2 3.56Å; V493-L577 HydrophobicContact CG1-CG 3.55Å; R500-L577 HydrophobicContact CG-CD2 3.69Å; L521-L577 HydrophobicContact CD1-CD1 4.4Å; C573-L577 PolarHBondContact O-N 2.89Å; M574-L577 PolarHBondContact O-N 2.96Å; M574-L577 VanDerWaalsContact O-N 3.11Å; M574-L577 HydrophobicContact SD-CD1 4.01Å; L577-F585 HydrophobicContact CB-CD2 4.28Å; L577-F585 HydrophobicContact CB-CE2 3.64Å; L577-F585 HydrophobicContact CB-CZ 4.23Å; L577-F585 HydrophobicContact CD1-CZ 4.4Å; L577-F585 VanDerWaalsContact O-CD2 3.3Å; L577-F585 WeakPolarHBondContact O-CD2 3.44Å
578	P	91.3	Very high	94.3	Very high	93 Å²	93	43.9 Å²	43.9	60%	0.604	24%	0.239	S	C	*	.			trans	-69.4	-39.5	179.4	26	-32.9	0	0	0	112.6	S576	S576-P578 WeakPolarHBondContact O-CD 3.28Å
579	E	94.8	Very high	94.4	Very high	102 Å²	102	40.4 Å²	40.4	48%	0.477	22%	0.217	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-160.3	164.6	-179.7	59	-179.9	-144.6	0	0	110.7	K583	E579-K583 CarbonylContact C-O 3.56Å; E579-K583 VanDerWaalsContact CA-O 3.24Å; E579-K583 WeakPolarHBondContact CA-O 3.48Å; E579-K583 WeakPolarHBondContact CB-O 3.41Å
580	F	96.3	Very high	94.5	Very high	7 Å²	7	41 Å²	41	3%	0.031	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.7	124.1	172	-178.9	-87.1	0	0	0	109.4	K505 L521 V525 I535 G582 K583 F585	K505-F580 HydrophobicContact CG-CE2 3.86Å; K505-F580 HydrophobicContact CG-CZ 4.16Å; L521-F580 VanDerWaalsContact C-CE1 3.42Å; L521-F580 HydrophobicContact CB-CD1 3.7Å; L521-F580 HydrophobicContact CB-CD2 3.81Å; L521-F580 HydrophobicContact CB-CE1 3.55Å; L521-F580 HydrophobicContact CB-CE2 3.65Å; L521-F580 HydrophobicContact CB-CG 3.83Å; L521-F580 HydrophobicContact CB-CZ 3.53Å; L521-F580 HydrophobicContact CD1-CB 4.28Å; L521-F580 HydrophobicContact CD1-CD2 3.56Å; L521-F580 HydrophobicContact CD1-CE2 4Å; L521-F580 HydrophobicContact CD1-CG 3.91Å; L521-F580 HydrophobicContact CG-CD2 4.35Å; L521-F580 HydrophobicContact CG-CE2 4.47Å; L521-F580 HydrophobicContact CG-CG 4.5Å; V525-F580 HydrophobicContact CG2-CD1 3.92Å; V525-F580 HydrophobicContact CG2-CE1 4.18Å; I535-F580 HydrophobicContact CD1-CB 4.24Å; I535-F580 HydrophobicContact CD1-CD1 4.47Å; F580-G582 PolarHBondContact O-N 2.92Å; F580-G582 VanDerWaalsContact O-N 3.15Å; F580-K583 PolarHBondContact N-O 3.15Å; F580-K583 WeakPolarHBondContact O-CB 3.26Å; F580-K583 PolarHBondContact O-N 3.16Å; F580-F585 HydrophobicContact CB-CE1 4.33Å; F580-F585 HydrophobicContact CB-CE2 4.17Å; F580-F585 HydrophobicContact CB-CZ 3.55Å
581	D	93.9	Very high	94.3	Very high	96 Å²	96	43.1 Å²	43.1	51%	0.513	23%	0.228	S	C	.	.	T	Hydrogen-bonded Turn	trans	45.6	44	-175	-68.5	-12.1	0	0	0	113.2	K583	D581-K583 PolarHBondContact O-N 3.4Å
582	G	93.3	Very high	94	Very high	53 Å²	53	45.8 Å²	45.8	55%	0.546	26%	0.256	S	S	.	.	T	Hydrogen-bonded Turn	trans	75.1	3.3	179.9	0	0	0	0	0	115.3	F580	F580-G582 PolarHBondContact O-N 2.92Å; F580-G582 VanDerWaalsContact O-N 3.15Å
583	K	95.1	Very high	93.8	Very high	62 Å²	62	42.9 Å²	42.9	27%	0.27	25%	0.245	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-99	127.1	175.7	-53	-61.1	-175.1	169	0	109.9	V525 M528 I535 E579 F580 D581	V525-K583 HydrophobicContact CG2-CG 4.42Å; M528-K583 HydrophobicContact CE-CD 4.04Å; M528-K583 HydrophobicContact CE-CG 4.18Å; M528-K583 HydrophobicContact SD-CD 4.49Å; M528-K583 HydrophobicContact SD-CG 4.11Å; I535-K583 HydrophobicContact CD1-CB 4.13Å; I535-K583 HydrophobicContact CG1-CB 4.07Å; E579-K583 CarbonylContact C-O 3.56Å; E579-K583 VanDerWaalsContact CA-O 3.24Å; E579-K583 WeakPolarHBondContact CA-O 3.48Å; E579-K583 WeakPolarHBondContact CB-O 3.41Å; F580-K583 PolarHBondContact N-O 3.15Å; F580-K583 WeakPolarHBondContact O-CB 3.26Å; F580-K583 PolarHBondContact O-N 3.16Å; D581-K583 PolarHBondContact O-N 3.4Å
584	K	95.4	Very high	93.3	Very high	135 Å²	135	46.8 Å²	46.8	59%	0.587	27%	0.266	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-76.7	161.1	173.4	-64.3	-174.1	178.7	-175	0	110.9	V534 I535	V534-K584 CarbonylContact C-O 3.54Å; V534-K584 WeakPolarHBondContact CA-O 3.1Å; V534-K584 WeakPolarHBondContact CB-O 3.31Å; V534-K584 HydrophobicContact CG1-CB 4.31Å; I535-K584 PolarHBondContact N-O 2.96Å
585	F	95.4	Very high	92.8	Very high	30 Å²	30	47.6 Å²	47.6	13%	0.132	27%	0.27	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.1	143.5	174.1	-57.3	-81.9	0	0	0	111.3	L521 I535 Y537 M574 L577 F580	L521-F585 HydrophobicContact CD1-CE1 4.36Å; L521-F585 HydrophobicContact CD1-CZ 4.14Å; L521-F585 HydrophobicContact CD2-CE1 4.08Å; I535-F585 HydrophobicContact CB-CD1 3.71Å; I535-F585 HydrophobicContact CB-CE1 4.09Å; I535-F585 HydrophobicContact CD1-CD1 4.14Å; I535-F585 HydrophobicContact CD1-CE1 3.66Å; I535-F585 HydrophobicContact CD1-CZ 4.32Å; I535-F585 HydrophobicContact CG1-CD1 4.47Å; I535-F585 HydrophobicContact CG1-CE1 4.45Å; I535-F585 HydrophobicContact CG2-CD1 3.81Å; I535-F585 HydrophobicContact CG2-CE1 4.03Å; I535-F585 WeakPolarHBondContact O-CA 3.29Å; Y537-F585 HydrophobicContact CD1-CB 4.08Å; Y537-F585 HydrophobicContact CE1-CB 3.7Å; M574-F585 HydrophobicContact CE-CB 4.33Å; M574-F585 HydrophobicContact CE-CD1 3.21Å; M574-F585 HydrophobicContact CE-CD2 4.43Å; M574-F585 HydrophobicContact CE-CE1 3.41Å; M574-F585 VanDerWaalsContact CE-CE1 3.41Å; M574-F585 HydrophobicContact CE-CG 3.75Å; M574-F585 HydrophobicContact CE-CZ 4.11Å; M574-F585 HydrophobicContact SD-CE1 4.48Å; L577-F585 HydrophobicContact CB-CD2 4.28Å; L577-F585 HydrophobicContact CB-CE2 3.64Å; L577-F585 HydrophobicContact CB-CZ 4.23Å; L577-F585 HydrophobicContact CD1-CZ 4.4Å; L577-F585 VanDerWaalsContact O-CD2 3.3Å; L577-F585 WeakPolarHBondContact O-CD2 3.44Å; F580-F585 HydrophobicContact CB-CE1 4.33Å; F580-F585 HydrophobicContact CB-CE2 4.17Å; F580-F585 HydrophobicContact CB-CZ 3.55Å
586	Q	95.2	Very high	91.9	Very high	35 Å²	35	45.2 Å²	45.2	16%	0.164	26%	0.257	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.5	112.6	174.1	177.5	65.2	59.6	0	0	109.6	V534 I535 Y536 Y537 V588 E591	V534-Q586 HydrophobicContact CB-CB 4.25Å; V534-Q586 HydrophobicContact CG2-CB 3.93Å; I535-Q586 PolarHBondContact O-N 3.38Å; Y536-Q586 HydrophobicContact CD1-CB 3.95Å; Y536-Q586 HydrophobicContact CD1-CG 4.03Å; Y536-Q586 HydrophobicContact CE1-CB 4.13Å; Y536-Q586 HydrophobicContact CE1-CG 4.05Å; Y537-Q586 WeakPolarHBondContact CD1-O 3.25Å; Y537-Q586 PolarHBondContact N-O 3.03Å; Y537-Q586 VanDerWaalsContact N-O 3.14Å; Q586-V588 PolarHBondContact O-N 3.39Å; Q586-E591 PolarHBondContact NE2-O 3.48Å
587	N	95.7	Very high	90.9	Very high	5 Å²	5	48.4 Å²	48.4	3%	0.027	27%	0.274	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-70.7	121.6	169.7	-170.1	-32.8	0	0	0	108.9	Y537 E571 A589 K590	Y537-N587 HydrophobicContact CE1-CB 3.93Å; Y537-N587 VanDerWaalsContact CE1-N 3.34Å; Y537-N587 HydrophobicContact CE2-CB 3.87Å; Y537-N587 WeakPolarHBondContact O-CA 3.33Å; E571-N587 PolarHBondContact OE1-ND2 2.95Å; N587-A589 PolarHBondContact O-N 2.95Å; N587-A589 WeakPolarHBondContact OD1-CB 3.48Å; N587-A589 PolarHBondContact OD1-N 3.46Å; N587-K590 HydrophobicContact CB-CB 4.32Å; N587-K590 HydrophobicContact CB-CD 4.23Å; N587-K590 HydrophobicContact CB-CG 3.89Å; N587-K590 PolarHBondContact O-N 2.95Å; N587-K590 VanDerWaalsContact O-N 3.15Å
588	V	96.3	Very high	90.1	Very high	0 Å²	0	50.1 Å²	50.1	0%	0	30%	0.295	C	S	.	.	T	Hydrogen-bonded Turn	trans	-79.1	-2.5	-177.4	-53.5	0	0	0	0	113	Y536 Y537 L538 F551 V552 L555 Q586 R636	Y536-V588 HydrophobicContact CD1-CG1 3.95Å; Y536-V588 HydrophobicContact CG-CG1 4.34Å; Y537-V588 WeakPolarHBondContact O-CG2 3.26Å; Y537-V588 PolarHBondContact O-N 2.93Å; L538-V588 HydrophobicContact CB-CG2 3.66Å; L538-V588 HydrophobicContact CD1-CG2 3.97Å; L538-V588 HydrophobicContact CD2-CG2 4.41Å; L538-V588 HydrophobicContact CG-CG2 4.21Å; F551-V588 HydrophobicContact CB-CB 4.43Å; F551-V588 HydrophobicContact CB-CG2 3.89Å; F551-V588 WeakPolarHBondContact CB-O 3.38Å; F551-V588 WeakPolarHBondContact CD1-O 3.42Å; F551-V588 WeakPolarHBondContact CG-O 3.25Å; V552-V588 HydrophobicContact CG1-CG2 4.05Å; L555-V588 HydrophobicContact CD1-CB 4.02Å; L555-V588 HydrophobicContact CD1-CG1 3.43Å; L555-V588 VanDerWaalsContact CD1-CG1 3.43Å; Q586-V588 PolarHBondContact O-N 3.39Å; V588-R636 PolarHBondContact O-NH1 3.36Å
589	A	95.9	Very high	89.7	Confident	5 Å²	5	53.5 Å²	53.5	4%	0.041	30%	0.302	C	S	.	.	T	Hydrogen-bonded Turn	trans	-92.1	-1.2	166.8	0	0	0	0	0	113.2	L538 F551 N587 A646	L538-A589 HydrophobicContact CD1-CB 3.85Å; F551-A589 HydrophobicContact CD2-CB 3.85Å; F551-A589 HydrophobicContact CE2-CB 3.74Å; F551-A589 HydrophobicContact CG-CB 4.35Å; F551-A589 HydrophobicContact CZ-CB 4.14Å; N587-A589 PolarHBondContact O-N 2.95Å; N587-A589 WeakPolarHBondContact OD1-CB 3.48Å; N587-A589 PolarHBondContact OD1-N 3.46Å; A589-A646 PolarHBondContact O-N 3.45Å
590	K	95	Very high	89.4	Confident	29 Å²	29	57.2 Å²	57.2	13%	0.126	32%	0.317	C	S	.	.	B	Isolated β-bridge	trans	-108.6	164.2	177	-58.6	-162.5	-179	-166.2	0	112.4	N587 R636 A646 G650	N587-K590 HydrophobicContact CB-CB 4.32Å; N587-K590 HydrophobicContact CB-CD 4.23Å; N587-K590 HydrophobicContact CB-CG 3.89Å; N587-K590 PolarHBondContact O-N 2.95Å; N587-K590 VanDerWaalsContact O-N 3.15Å; K590-R636 PolarHBondContact O-NH1 3.21Å; K590-R636 PolarHBondContact O-NH2 3.46Å; K590-R636 VanDerWaalsContact O-NH2 3.16Å; K590-A646 CarbonylContact C-O 3.33Å; K590-A646 WeakPolarHBondContact CA-O 3.5Å; K590-A646 HydrophobicContact CG-CB 4.2Å; K590-G650 WeakPolarHBondContact CE-O 3.38Å; K590-G650 PolarHBondContact NZ-O 3.47Å
591	E	92.6	Very high	88.9	Confident	48 Å²	48	57.2 Å²	57.2	22%	0.224	32%	0.319	C	S	.	.	S	Bend	trans	-59.3	162.4	166.8	-72.3	-167	121.8	0	0	111.8	Q586 K630 V645 A646 V681	Q586-E591 PolarHBondContact NE2-O 3.48Å; E591-K630 WeakPolarHBondContact OE1-CE 3.45Å; E591-K630 IonicContact OE1-NZ 2.95Å; E591-K630 PolarHBondContact OE1-NZ 2.99Å; E591-V645 HydrophobicContact CG-CG1 4.08Å; E591-V645 VanDerWaalsContact N-CG1 3.31Å; E591-A646 PolarHBondContact N-O 3.27Å; E591-V681 HydrophobicContact CG-CG2 4.22Å
592	G	86.4	Confident	88.6	Confident	56 Å²	56	57.9 Å²	57.9	58%	0.577	32%	0.317	S	S	*	.			trans	101.6	-2	178.1	0	0	0	0	0	115.1	N594	G592-N594 PolarHBondContact O-N 3.32Å
593	L	89.5	Confident	88.5	Confident	13 Å²	13	61.1 Å²	61.1	7%	0.068	32%	0.318	C	S	.	.			trans	-70.7	112.9	173.6	-173.2	74.4	0	0	0	110.8	Y536 L555 L595 R636	Y536-L593 HydrophobicContact CD1-CD1 3.86Å; Y536-L593 HydrophobicContact CE1-CD1 3.37Å; L555-L593 HydrophobicContact CD1-CD1 4.41Å; L555-L593 HydrophobicContact CD2-CD1 4.31Å; L593-L595 HydrophobicContact CD1-CD2 4.15Å; L593-L595 HydrophobicContact CD1-CG 4.25Å; L593-L595 HydrophobicContact CD2-CD1 3.88Å; L593-L595 HydrophobicContact CD2-CG 4.04Å; L593-L595 HydrophobicContact CG-CD1 4.37Å; L593-L595 HydrophobicContact CG-CD2 4.42Å; L593-L595 HydrophobicContact CG-CG 3.98Å; L593-R636 HydrophobicContact CD2-CB 3.46Å; L593-R636 VanDerWaalsContact CD2-CB 3.46Å
594	N	84.6	Confident	88.3	Confident	81 Å²	81	64.8 Å²	64.8	43%	0.433	33%	0.33	S	S	.	.			trans	-116.3	107.2	174.5	-173.1	-4.8	0	0	0	110.3	G592 E596	G592-N594 PolarHBondContact O-N 3.32Å; N594-E596 PolarHBondContact OD1-N 3.08Å
595	L	83.3	Confident	88.1	Confident	19 Å²	19	59.1 Å²	59.1	10%	0.099	31%	0.306	C	S	.	.			trans	-107.1	-13	179.1	-64.9	-178.3	0	0	0	113.2	R554 L555 K558 I560 L593	R554-L595 HydrophobicContact CB-CD1 4.26Å; R554-L595 HydrophobicContact CG-CD1 4.32Å; L555-L595 HydrophobicContact CD2-CD1 4.27Å; L555-L595 HydrophobicContact CD2-CD2 3.73Å; L555-L595 HydrophobicContact CG-CD1 4.29Å; K558-L595 PolarHBondContact NZ-O 2.85Å; I560-L595 HydrophobicContact CD1-CD2 4Å; L593-L595 HydrophobicContact CD1-CD2 4.15Å; L593-L595 HydrophobicContact CD1-CG 4.25Å; L593-L595 HydrophobicContact CD2-CD1 3.88Å; L593-L595 HydrophobicContact CD2-CG 4.04Å; L593-L595 HydrophobicContact CG-CD1 4.37Å; L593-L595 HydrophobicContact CG-CD2 4.42Å; L593-L595 HydrophobicContact CG-CG 3.98Å
596	E	72.3	Confident	87.9	Confident	35 Å²	35	63.7 Å²	63.7	16%	0.164	33%	0.328	C	S	.	.			trans	-104.6	61.3	-177.5	-63.5	-55.2	140.4	0	0	110.5	K558 N594 G601 K602 Q635	K558-E596 IonicContact NZ-OE1 3.1Å; K558-E596 PolarHBondContact NZ-OE1 3.05Å; N594-E596 PolarHBondContact OD1-N 3.08Å; E596-G601 WeakPolarHBondContact OE2-CA 3.36Å; E596-K602 WeakPolarHBondContact O-CG 3.28Å; E596-Q635 HydrophobicContact CG-CG 4.47Å
597	V	72.2	Confident	87.9	Confident	102 Å²	102	70 Å²	70	62%	0.618	35%	0.354	S	S	*	.			trans	-76.2	-27	-171.8	-172.1	0	0	0	0	112.9	K602	V597-K602 WeakPolarHBondContact O-CE 3.32Å
598	G	78.3	Confident	87.9	Confident	47 Å²	47	70.8 Å²	70.8	49%	0.485	36%	0.359	S	S	.	.	S	Bend	trans	-81.1	156.8	-179.7	0	0	0	0	0	113.6	K600 G601 K602	G598-K600 PolarHBondContact O-N 3.02Å; G598-G601 WeakPolarHBondContact O-CA 3.48Å; G598-G601 PolarHBondContact O-N 2.89Å; G598-K602 PolarHBondContact O-N 3.43Å
599	E	83	Confident	87.9	Confident	163 Å²	163	74.8 Å²	74.8	76%	0.762	38%	0.378	S	S	*	.	H	α-helix	trans	-51.5	-50.7	-178.1	-70.1	-178.8	156.1	0	0	112.9	G601 K602 E603	E599-G601 PolarHBondContact O-N 3.38Å; E599-K602 PolarHBondContact O-N 2.79Å; E599-K602 VanDerWaalsContact O-N 3.12Å; E599-E603 WeakPolarHBondContact O-CG 3.34Å; E599-E603 PolarHBondContact O-N 3.04Å
600	K	87.2	Confident	87.9	Confident	180 Å²	180	82.7 Å²	82.7	78%	0.783	41%	0.411	S	S	*	.	H	α-helix	trans	-57.7	-33.7	176.8	-66.9	-173.4	177.8	-177.7	0	113.7	G598 R604	G598-K600 PolarHBondContact O-N 3.02Å; K600-R604 VanDerWaalsContact O-CB 3.32Å; K600-R604 WeakPolarHBondContact O-CB 3.38Å; K600-R604 PolarHBondContact O-N 2.76Å
601	G	86	Confident	87.9	Confident	8 Å²	8	85.6 Å²	85.6	8%	0.082	43%	0.428	C	S	.	.	H	α-helix	trans	-71.2	-43.9	178.3	0	0	0	0	0	111.4	E596 G598 E599 R604 Q605	E596-G601 WeakPolarHBondContact OE2-CA 3.36Å; G598-G601 WeakPolarHBondContact O-CA 3.48Å; G598-G601 PolarHBondContact O-N 2.89Å; E599-G601 PolarHBondContact O-N 3.38Å; G601-R604 PolarHBondContact O-N 2.72Å; G601-Q605 WeakPolarHBondContact O-CB 3.48Å; G601-Q605 PolarHBondContact O-N 3.2Å
602	K	87.1	Confident	88.2	Confident	109 Å²	109	84 Å²	84	47%	0.474	42%	0.42	S	S	.	.	H	α-helix	trans	-63.2	-48.8	176.2	-65.4	-177.4	-178.9	179.7	0	112.1	E596 V597 G598 E599 R604 Q605 E606	E596-K602 WeakPolarHBondContact O-CG 3.28Å; V597-K602 WeakPolarHBondContact O-CE 3.32Å; G598-K602 PolarHBondContact O-N 3.43Å; E599-K602 PolarHBondContact O-N 2.79Å; E599-K602 VanDerWaalsContact O-N 3.12Å; K602-R604 VanDerWaalsContact C-N 3.27Å; K602-R604 PolarHBondContact O-N 3.19Å; K602-Q605 WeakPolarHBondContact O-CB 3.48Å; K602-Q605 PolarHBondContact O-N 2.99Å; K602-Q605 VanDerWaalsContact O-N 3.07Å; K602-E606 WeakPolarHBondContact O-CG 3.5Å; K602-E606 PolarHBondContact O-N 3.29Å
603	E	92	Very high	88.6	Confident	121 Å²	121	83.6 Å²	83.6	57%	0.565	41%	0.408	S	S	*	.	H	α-helix	trans	-57.7	-41.6	176.6	-71.3	174.6	177.3	0	0	111.9	E599 K607	E599-E603 WeakPolarHBondContact O-CG 3.34Å; E599-E603 PolarHBondContact O-N 3.04Å; E603-K607 WeakPolarHBondContact O-CB 3.45Å; E603-K607 PolarHBondContact O-N 3.39Å
604	R	91.4	Very high	88.9	Confident	140 Å²	140	86.8 Å²	86.8	53%	0.528	43%	0.425	S	S	.	.	H	α-helix	trans	-63.3	-43.7	175.8	179.2	-179.1	177.7	169	3.1	111.5	K600 G601 K602 K607 L608 Y687	K600-R604 VanDerWaalsContact O-CB 3.32Å; K600-R604 WeakPolarHBondContact O-CB 3.38Å; K600-R604 PolarHBondContact O-N 2.76Å; G601-R604 PolarHBondContact O-N 2.72Å; K602-R604 VanDerWaalsContact C-N 3.27Å; K602-R604 PolarHBondContact O-N 3.19Å; R604-K607 PolarHBondContact O-N 3.39Å; R604-L608 HydrophobicContact CG-CD1 4.15Å; R604-L608 VanDerWaalsContact O-CG 3.27Å; R604-L608 WeakPolarHBondContact O-CG 3.5Å; R604-L608 PolarHBondContact O-N 3.25Å; R604-L608 VanDerWaalsContact O-N 3.1Å; R604-Y687 VanDerWaalsContact CZ-OH 3.24Å; R604-Y687 PolarHBondContact NE-OH 3.23Å; R604-Y687 PolarHBondContact NH2-OH 2.96Å
605	Q	90.8	Very high	89.5	Confident	16 Å²	16	83 Å²	83	8%	0.075	41%	0.405	C	S	.	.	H	α-helix	trans	-63.2	-48.6	178.5	-177.5	69.3	18.5	0	0	111	G601 K602 K607 L608 E609 I633	G601-Q605 WeakPolarHBondContact O-CB 3.48Å; G601-Q605 PolarHBondContact O-N 3.2Å; K602-Q605 WeakPolarHBondContact O-CB 3.48Å; K602-Q605 PolarHBondContact O-N 2.99Å; K602-Q605 VanDerWaalsContact O-N 3.07Å; Q605-K607 VanDerWaalsContact C-N 3.31Å; Q605-K607 PolarHBondContact O-N 2.93Å; Q605-L608 PolarHBondContact O-N 3.17Å; Q605-L608 VanDerWaalsContact O-N 3.13Å; Q605-E609 WeakPolarHBondContact CG-OE1 3.02Å; Q605-E609 PolarHBondContact NE2-OE1 3.31Å; Q605-E609 WeakPolarHBondContact O-CG 3.33Å; Q605-E609 PolarHBondContact O-N 3.05Å; Q605-I633 PolarHBondContact NE2-O 2.84Å; Q605-I633 VanDerWaalsContact NE2-O 3.09Å
606	E	92.3	Very high	90.2	Very high	125 Å²	125	83.4 Å²	83.4	58%	0.584	41%	0.407	S	S	*	.	H	α-helix	trans	-59.6	-40.9	177.8	-71.4	172.1	-173.2	0	0	111.9	K602 L608 E609 K610	K602-E606 WeakPolarHBondContact O-CG 3.5Å; K602-E606 PolarHBondContact O-N 3.29Å; E606-L608 PolarHBondContact O-N 2.62Å; E606-E609 PolarHBondContact O-N 3.05Å; E606-K610 WeakPolarHBondContact O-CB 3.39Å; E606-K610 PolarHBondContact O-N 2.7Å
607	K	95.1	Very high	91.3	Very high	167 Å²	167	86.2 Å²	86.2	73%	0.726	42%	0.422	S	S	*	.	H	α-helix	trans	-62.1	-42.8	175.4	-174.2	-180	179.2	-179.5	0	112	E603 R604 Q605 K610 D611	E603-K607 WeakPolarHBondContact O-CB 3.45Å; E603-K607 PolarHBondContact O-N 3.39Å; R604-K607 PolarHBondContact O-N 3.39Å; Q605-K607 VanDerWaalsContact C-N 3.31Å; Q605-K607 PolarHBondContact O-N 2.93Å; K607-K610 PolarHBondContact O-N 3.48Å; K607-D611 WeakPolarHBondContact O-CB 3.37Å; K607-D611 PolarHBondContact O-N 3.27Å
608	L	95.1	Very high	92.6	Very high	23 Å²	23	81.9 Å²	81.9	12%	0.12	40%	0.395	C	S	.	.	H	α-helix	trans	-68.5	-42	178.2	-68.1	164.4	0	0	0	111.5	R604 Q605 E606 K610 D611 Y612 I633 P686 Y687	R604-L608 HydrophobicContact CG-CD1 4.15Å; R604-L608 VanDerWaalsContact O-CG 3.27Å; R604-L608 WeakPolarHBondContact O-CG 3.5Å; R604-L608 PolarHBondContact O-N 3.25Å; R604-L608 VanDerWaalsContact O-N 3.1Å; Q605-L608 PolarHBondContact O-N 3.17Å; Q605-L608 VanDerWaalsContact O-N 3.13Å; E606-L608 PolarHBondContact O-N 2.62Å; L608-K610 VanDerWaalsContact C-N 3.26Å; L608-K610 PolarHBondContact O-N 3.26Å; L608-D611 PolarHBondContact O-N 2.86Å; L608-Y612 HydrophobicContact CD2-CE2 4.39Å; L608-Y612 WeakPolarHBondContact O-CB 3.44Å; L608-Y612 WeakPolarHBondContact O-CD2 3.38Å; L608-Y612 PolarHBondContact O-N 3.07Å; L608-I633 HydrophobicContact CB-CG1 4.39Å; L608-I633 HydrophobicContact CB-CG2 4.19Å; L608-I633 HydrophobicContact CD1-CG2 4.39Å; L608-P686 HydrophobicContact CD1-CG 4.09Å; L608-P686 HydrophobicContact CD2-CB 4.14Å; L608-P686 HydrophobicContact CD2-CG 4.15Å; L608-Y687 HydrophobicContact CD1-CE2 4.42Å; L608-Y687 WeakPolarHBondContact CD1-OH 3.41Å
609	E	95.1	Very high	93.5	Very high	84 Å²	84	79.8 Å²	79.8	39%	0.393	37%	0.373	S	S	.	.	H	α-helix	trans	-61.1	-37.4	176.8	-73.9	173.1	-176.9	0	0	111.6	Q605 E606 S613 I633	Q605-E609 WeakPolarHBondContact CG-OE1 3.02Å; Q605-E609 PolarHBondContact NE2-OE1 3.31Å; Q605-E609 WeakPolarHBondContact O-CG 3.33Å; Q605-E609 PolarHBondContact O-N 3.05Å; E606-E609 PolarHBondContact O-N 3.05Å; E609-S613 PolarHBondContact O-N 3.37Å; E609-S613 VanDerWaalsContact O-N 3.14Å; E609-I633 HydrophobicContact CG-CB 4.11Å; E609-I633 HydrophobicContact CG-CG1 3.95Å
610	K	96	Very high	94.1	Very high	171 Å²	171	76.2 Å²	76.2	74%	0.743	36%	0.355	S	S	*	.	H	α-helix	trans	-69.7	-44.1	173.4	-174.5	175.7	179.8	177.5	0	112.9	E606 K607 L608 Y612 S613	E606-K610 WeakPolarHBondContact O-CB 3.39Å; E606-K610 PolarHBondContact O-N 2.7Å; K607-K610 PolarHBondContact O-N 3.48Å; L608-K610 VanDerWaalsContact C-N 3.26Å; L608-K610 PolarHBondContact O-N 3.26Å; K610-Y612 VanDerWaalsContact C-N 3.27Å; K610-Y612 PolarHBondContact O-N 3.37Å; K610-S613 PolarHBondContact O-N 2.97Å; K610-S613 PolarHBondContact O-OG 3.39Å
611	D	96.4	Very high	94.5	Very high	90 Å²	90	71.6 Å²	71.6	48%	0.481	34%	0.339	S	S	.	.	H	α-helix	trans	-65.2	-32.9	-179.8	-174.7	31.1	0	0	0	112	K607 L608 K695	K607-D611 WeakPolarHBondContact O-CB 3.37Å; K607-D611 PolarHBondContact O-N 3.27Å; L608-D611 PolarHBondContact O-N 2.86Å; D611-K695 WeakPolarHBondContact O-CE 3.32Å; D611-K695 PolarHBondContact O-NZ 2.93Å; D611-K695 IonicContact OD1-NZ 3.98Å
612	Y	97.3	Very high	94.8	Very high	14 Å²	14	74.4 Å²	74.4	6%	0.055	36%	0.357	C	S	.	.	T	Hydrogen-bonded Turn	trans	-101.9	11.8	-178.3	-75	-100.4	0	0	0	114.1	L608 K610 D614 L615 I616 I633 P686 I691 K695	L608-Y612 HydrophobicContact CD2-CE2 4.39Å; L608-Y612 WeakPolarHBondContact O-CB 3.44Å; L608-Y612 WeakPolarHBondContact O-CD2 3.38Å; L608-Y612 PolarHBondContact O-N 3.07Å; K610-Y612 VanDerWaalsContact C-N 3.27Å; K610-Y612 PolarHBondContact O-N 3.37Å; Y612-D614 VanDerWaalsContact C-N 3.27Å; Y612-D614 PolarHBondContact O-N 2.99Å; Y612-L615 HydrophobicContact CD1-CD2 3.95Å; Y612-L615 HydrophobicContact CE1-CD2 4.41Å; Y612-L615 PolarHBondContact O-N 3.23Å; Y612-I616 WeakPolarHBondContact O-CB 3.41Å; Y612-I616 WeakPolarHBondContact O-CG1 3.4Å; Y612-I616 PolarHBondContact O-N 2.82Å; Y612-I633 HydrophobicContact CD1-CD1 4.44Å; Y612-I633 HydrophobicContact CD2-CD1 4.39Å; Y612-I633 HydrophobicContact CG-CD1 3.95Å; Y612-P686 HydrophobicContact CD2-CB 4.11Å; Y612-P686 HydrophobicContact CE1-CB 4.11Å; Y612-P686 HydrophobicContact CE2-CB 3.55Å; Y612-P686 PolarHBondContact OH-O 3.27Å; Y612-I691 HydrophobicContact CE1-CG2 3.99Å; Y612-K695 HydrophobicContact CD1-CD 3.99Å; Y612-K695 HydrophobicContact CD1-CG 4.38Å; Y612-K695 HydrophobicContact CE1-CB 4.2Å; Y612-K695 HydrophobicContact CE1-CD 3.77Å; Y612-K695 HydrophobicContact CE1-CG 4.34Å; Y612-K695 HydrophobicContact CE2-CD 4.46Å; Y612-K695 HydrophobicContact CG-CD 4.44Å
613	S	96.3	Very high	95.2	Very high	47 Å²	47	69.4 Å²	69.4	33%	0.329	34%	0.336	S	S	.	.	H	α-helix	trans	-55.5	-42.6	-175.5	59.6	0	0	0	0	112.8	E609 K610 I616 L617	E609-S613 PolarHBondContact O-N 3.37Å; E609-S613 VanDerWaalsContact O-N 3.14Å; K610-S613 PolarHBondContact O-N 2.97Å; K610-S613 PolarHBondContact O-OG 3.39Å; S613-I616 PolarHBondContact O-N 3.21Å; S613-L617 WeakPolarHBondContact O-CG 3.21Å; S613-L617 PolarHBondContact O-N 2.78Å
614	D	95.9	Very high	95.3	Very high	80 Å²	80	63.7 Å²	63.7	43%	0.428	31%	0.31	S	S	.	.	H	α-helix	trans	-70.5	-40.8	-175.5	-70.7	8.9	0	0	0	111.2	Y612 W618	Y612-D614 VanDerWaalsContact C-N 3.27Å; Y612-D614 PolarHBondContact O-N 2.99Å; D614-W618 VanDerWaalsContact O-CB 3.23Å; D614-W618 WeakPolarHBondContact O-CB 3.44Å; D614-W618 PolarHBondContact O-N 3.35Å
615	L	97.5	Very high	95.4	Very high	1 Å²	1	63.4 Å²	63.4	1%	0.005	31%	0.312	C	S	.	.	H	α-helix	trans	-64.3	-42.5	173.2	179.8	64.7	0	0	0	111.3	Y612 W618 L619 I684 I691 L694 K695 V698	Y612-L615 HydrophobicContact CD1-CD2 3.95Å; Y612-L615 HydrophobicContact CE1-CD2 4.41Å; Y612-L615 PolarHBondContact O-N 3.23Å; L615-W618 HydrophobicContact CD1-CE3 4.01Å; L615-W618 HydrophobicContact CD1-CZ3 4.4Å; L615-W618 PolarHBondContact O-N 2.95Å; L615-L619 HydrophobicContact CD1-CD1 4.36Å; L615-L619 HydrophobicContact CD1-CG 4.22Å; L615-L619 HydrophobicContact CG-CD1 4.06Å; L615-L619 HydrophobicContact CG-CG 4.37Å; L615-L619 WeakPolarHBondContact O-CB 3.46Å; L615-L619 VanDerWaalsContact O-CG 3.27Å; L615-L619 WeakPolarHBondContact O-CG 3.13Å; L615-L619 PolarHBondContact O-N 2.9Å; L615-I684 HydrophobicContact CD2-CD1 4.02Å; L615-I691 HydrophobicContact CD2-CG2 4.15Å; L615-L694 HydrophobicContact CD1-CD2 4.08Å; L615-L694 HydrophobicContact CD1-CG 3.91Å; L615-K695 HydrophobicContact CD2-CB 4.12Å; L615-V698 HydrophobicContact CD1-CB 4.37Å; L615-V698 HydrophobicContact CD1-CG2 3.98Å
616	I	97.1	Very high	95.4	Very high	29 Å²	29	67.4 Å²	67.4	15%	0.149	33%	0.334	C	S	.	.	H	α-helix	trans	-60.7	-47.1	178.9	-75.4	166.5	0	0	0	111	Y612 S613 K620 A631 I633 I684	Y612-I616 WeakPolarHBondContact O-CB 3.41Å; Y612-I616 WeakPolarHBondContact O-CG1 3.4Å; Y612-I616 PolarHBondContact O-N 2.82Å; S613-I616 PolarHBondContact O-N 3.21Å; I616-K620 PolarHBondContact O-N 2.91Å; I616-A631 HydrophobicContact CG2-CB 4.25Å; I616-A631 WeakPolarHBondContact CG2-O 3.23Å; I616-I633 HydrophobicContact CD1-CD1 4.13Å; I616-I633 HydrophobicContact CD1-CG1 4.05Å; I616-I684 HydrophobicContact CG1-CD1 4.25Å
617	L	96.5	Very high	95.4	Very high	93 Å²	93	65.1 Å²	65.1	49%	0.487	32%	0.322	S	S	.	.	H	α-helix	trans	-64.8	-44.8	176.8	-71.8	172.3	0	0	0	111.2	S613 L619 K620 D621	S613-L617 WeakPolarHBondContact O-CG 3.21Å; S613-L617 PolarHBondContact O-N 2.78Å; L617-L619 PolarHBondContact O-N 2.76Å; L617-K620 PolarHBondContact O-N 3.4Å; L617-D621 WeakPolarHBondContact O-CB 2.9Å; L617-D621 PolarHBondContact O-N 3.08Å
618	W	97.6	Very high	95.4	Very high	11 Å²	11	57.4 Å²	57.4	4%	0.042	29%	0.289	C	S	.	.	H	α-helix	trans	-61.8	-40.6	178.2	178.4	88.5	0	0	0	112.7	D614 L615 K620 S622 A623 L694 V698 K702 A707 A711	D614-W618 VanDerWaalsContact O-CB 3.23Å; D614-W618 WeakPolarHBondContact O-CB 3.44Å; D614-W618 PolarHBondContact O-N 3.35Å; L615-W618 HydrophobicContact CD1-CE3 4.01Å; L615-W618 HydrophobicContact CD1-CZ3 4.4Å; L615-W618 PolarHBondContact O-N 2.95Å; W618-K620 PolarHBondContact O-N 3.36Å; W618-S622 CarbonylContact O-C 3.46Å; W618-S622 WeakPolarHBondContact O-CA 3.38Å; W618-S622 VanDerWaalsContact O-CB 3.32Å; W618-S622 WeakPolarHBondContact O-CB 3.42Å; W618-S622 PolarHBondContact O-N 2.87Å; W618-A623 HydrophobicContact CD2-CB 4.07Å; W618-A623 HydrophobicContact CE3-CB 3.78Å; W618-A623 HydrophobicContact CH2-CB 3.41Å; W618-A623 VanDerWaalsContact CH2-CB 3.41Å; W618-A623 HydrophobicContact CZ2-CB 3.7Å; W618-A623 HydrophobicContact CZ3-CB 3.45Å; W618-A623 VanDerWaalsContact CZ3-CB 3.45Å; W618-A623 PolarHBondContact O-N 3.03Å; W618-L694 HydrophobicContact CH2-CD1 4.45Å; W618-L694 HydrophobicContact CZ3-CD1 4.34Å; W618-V698 HydrophobicContact CB-CG1 3.81Å; W618-V698 HydrophobicContact CD2-CB 4.45Å; W618-V698 HydrophobicContact CD2-CG1 3.84Å; W618-V698 HydrophobicContact CD2-CG2 3.65Å; W618-V698 HydrophobicContact CE3-CG1 4.4Å; W618-V698 HydrophobicContact CE3-CG2 3.65Å; W618-V698 HydrophobicContact CG-CG1 3.55Å; W618-V698 HydrophobicContact CG-CG2 4.28Å; W618-V698 HydrophobicContact CH2-CG2 3.91Å; W618-V698 HydrophobicContact CZ2-CG2 3.92Å; W618-V698 HydrophobicContact CZ3-CG2 3.78Å; W618-K702 PolarHBondContact NE1-O 3.33Å; W618-A707 HydrophobicContact CH2-CB 4.04Å; W618-A707 HydrophobicContact CZ2-CB 4.23Å; W618-A711 HydrophobicContact CH2-CB 3.88Å; W618-A711 HydrophobicContact CZ3-CB 3.77Å
619	L	97.4	Very high	95.3	Very high	4 Å²	4	61.4 Å²	61.4	2%	0.021	31%	0.307	C	S	.	.	I	π-helix	trans	-60.7	-45.9	175.2	-76.4	169.8	0	0	0	111.3	L615 L617 L624 A631 L682 I684 L694 A711	L615-L619 HydrophobicContact CD1-CD1 4.36Å; L615-L619 HydrophobicContact CD1-CG 4.22Å; L615-L619 HydrophobicContact CG-CD1 4.06Å; L615-L619 HydrophobicContact CG-CG 4.37Å; L615-L619 WeakPolarHBondContact O-CB 3.46Å; L615-L619 VanDerWaalsContact O-CG 3.27Å; L615-L619 WeakPolarHBondContact O-CG 3.13Å; L615-L619 PolarHBondContact O-N 2.9Å; L617-L619 PolarHBondContact O-N 2.76Å; L619-L624 HydrophobicContact CD2-CD1 4.08Å; L619-L624 HydrophobicContact CD2-CG 4.48Å; L619-L624 WeakPolarHBondContact O-CA 3.24Å; L619-L624 VanDerWaalsContact O-CB 3.22Å; L619-L624 WeakPolarHBondContact O-CB 3.26Å; L619-L624 PolarHBondContact O-N 2.78Å; L619-A631 HydrophobicContact CB-CB 3.99Å; L619-A631 HydrophobicContact CD1-CB 4.1Å; L619-L682 HydrophobicContact CD1-CD2 4.36Å; L619-I684 HydrophobicContact CD1-CD1 4.27Å; L619-I684 HydrophobicContact CD1-CG2 4.03Å; L619-L694 HydrophobicContact CD2-CD2 4.48Å; L619-A711 HydrophobicContact CD2-CB 3.94Å
620	K	95.8	Very high	95.3	Very high	87 Å²	87	61.2 Å²	61.2	38%	0.378	31%	0.305	S	S	.	.	I	π-helix	trans	-72.9	-50.6	-177.1	-177.1	-165.9	171.3	-166.7	0	112.8	I616 L617 W618 K625 E629	I616-K620 PolarHBondContact O-N 2.91Å; L617-K620 PolarHBondContact O-N 3.4Å; W618-K620 PolarHBondContact O-N 3.36Å; K620-K625 WeakPolarHBondContact O-CA 3.05Å; K620-E629 WeakPolarHBondContact CE-O 3.39Å
621	D	95.5	Very high	95.3	Very high	83 Å²	83	53.2 Å²	53.2	44%	0.444	27%	0.271	S	S	.	.	I	π-helix	trans	-93.6	-18.6	-164.8	-61.5	-22.7	0	0	0	112.4	L617	L617-D621 WeakPolarHBondContact O-CB 2.9Å; L617-D621 PolarHBondContact O-N 3.08Å
622	S	93.9	Very high	95.3	Very high	67 Å²	67	50.9 Å²	50.9	47%	0.469	26%	0.26	S	S	.	.	I	π-helix	trans	-120.7	-78.9	-179	-54.6	0	0	0	0	111.8	W618 L624 K625	W618-S622 CarbonylContact O-C 3.46Å; W618-S622 WeakPolarHBondContact O-CA 3.38Å; W618-S622 VanDerWaalsContact O-CB 3.32Å; W618-S622 WeakPolarHBondContact O-CB 3.42Å; W618-S622 PolarHBondContact O-N 2.87Å; S622-L624 PolarHBondContact O-N 3.06Å; S622-K625 WeakPolarHBondContact O-CB 3.35Å; S622-K625 PolarHBondContact O-N 3.3Å
623	A	93.5	Very high	95.2	Very high	5 Å²	5	50.5 Å²	50.5	4%	0.041	26%	0.259	C	S	.	.	I	π-helix	trans	-62.7	-39.8	-163.9	0	0	0	0	0	114.2	W618 L708 A711	W618-A623 HydrophobicContact CD2-CB 4.07Å; W618-A623 HydrophobicContact CE3-CB 3.78Å; W618-A623 HydrophobicContact CH2-CB 3.41Å; W618-A623 VanDerWaalsContact CH2-CB 3.41Å; W618-A623 HydrophobicContact CZ2-CB 3.7Å; W618-A623 HydrophobicContact CZ3-CB 3.45Å; W618-A623 VanDerWaalsContact CZ3-CB 3.45Å; W618-A623 PolarHBondContact O-N 3.03Å; A623-L708 HydrophobicContact CB-CD1 4.2Å; A623-A711 HydrophobicContact CB-CB 3.91Å
624	L	94.8	Very high	95.2	Very high	1 Å²	1	48.4 Å²	48.4	1%	0.005	24%	0.244	C	C	.	.	T	Hydrogen-bonded Turn	trans	-119.5	27.8	-177.5	-50.4	176.7	0	0	0	111.8	L619 S622 D626 K627 I628 L682 A711 R712 L715	L619-L624 HydrophobicContact CD2-CD1 4.08Å; L619-L624 HydrophobicContact CD2-CG 4.48Å; L619-L624 WeakPolarHBondContact O-CA 3.24Å; L619-L624 VanDerWaalsContact O-CB 3.22Å; L619-L624 WeakPolarHBondContact O-CB 3.26Å; L619-L624 PolarHBondContact O-N 2.78Å; S622-L624 PolarHBondContact O-N 3.06Å; L624-D626 PolarHBondContact O-N 3.41Å; L624-K627 HydrophobicContact CB-CB 4.41Å; L624-K627 WeakPolarHBondContact O-CB 3.28Å; L624-K627 PolarHBondContact O-N 3.17Å; L624-I628 HydrophobicContact CB-CD1 4.1Å; L624-I628 HydrophobicContact CB-CG1 4.03Å; L624-I628 HydrophobicContact CB-CG2 4.4Å; L624-I628 HydrophobicContact CD1-CD1 4.13Å; L624-I628 HydrophobicContact CD1-CG2 4.36Å; L624-I628 PolarHBondContact O-N 3.46Å; L624-L682 HydrophobicContact CD1-CD2 3.57Å; L624-A711 HydrophobicContact CD2-CB 4.46Å; L624-R712 HydrophobicContact CD2-CG 4.16Å; L624-L715 HydrophobicContact CB-CD2 4.48Å; L624-L715 HydrophobicContact CD1-CB 4.05Å; L624-L715 HydrophobicContact CD1-CD1 4.44Å; L624-L715 HydrophobicContact CD1-CD2 4.22Å; L624-L715 HydrophobicContact CD1-CG 4.46Å; L624-L715 HydrophobicContact CD2-CB 4.01Å; L624-L715 HydrophobicContact CD2-CD2 3.82Å; L624-L715 HydrophobicContact CG-CD2 4.4Å
625	K	93.6	Very high	94.9	Very high	134 Å²	134	46.3 Å²	46.3	58%	0.583	23%	0.231	S	C	*	.	T	Hydrogen-bonded Turn	trans	-50	132.6	174.6	-170.8	-177.1	177.2	179.2	0	110	K620 S622 K627	K620-K625 WeakPolarHBondContact O-CA 3.05Å; S622-K625 WeakPolarHBondContact O-CB 3.35Å; S622-K625 PolarHBondContact O-N 3.3Å; K625-K627 PolarHBondContact O-N 2.84Å; K625-K627 VanDerWaalsContact O-N 3.09Å
626	D	91.1	Very high	94.7	Very high	99 Å²	99	46.5 Å²	46.5	53%	0.529	23%	0.232	S	C	.	.	T	Hydrogen-bonded Turn	trans	65.1	1.2	-177.2	-61.5	-52.1	0	0	0	117.7	L624 K679	L624-D626 PolarHBondContact O-N 3.41Å; D626-K679 VanDerWaalsContact O-CE 3.29Å; D626-K679 WeakPolarHBondContact O-CE 3.46Å; D626-K679 IonicContact OD1-NZ 3.06Å; D626-K679 PolarHBondContact OD1-NZ 3.23Å
627	K	92	Very high	94.7	Very high	77 Å²	77	45.1 Å²	45.1	34%	0.335	23%	0.225	S	C	.	.	T	Hydrogen-bonded Turn	trans	-99.5	-30.2	175.1	-58	-170.5	174.8	-167.2	0	113.1	L624 K625 L715	L624-K627 HydrophobicContact CB-CB 4.41Å; L624-K627 WeakPolarHBondContact O-CB 3.28Å; L624-K627 PolarHBondContact O-N 3.17Å; K625-K627 PolarHBondContact O-N 2.84Å; K625-K627 VanDerWaalsContact O-N 3.09Å; K627-L715 HydrophobicContact CB-CD2 3.62Å; K627-L715 HydrophobicContact CD-CD2 3.76Å; K627-L715 HydrophobicContact CG-CD2 4.33Å
628	I	94.7	Very high	94.6	Very high	5 Å²	5	42.9 Å²	42.9	3%	0.026	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.1	156.9	-179.9	65.9	171.6	0	0	0	111.4	L624 A631 L644 K680 L682 L715	L624-I628 HydrophobicContact CB-CD1 4.1Å; L624-I628 HydrophobicContact CB-CG1 4.03Å; L624-I628 HydrophobicContact CB-CG2 4.4Å; L624-I628 HydrophobicContact CD1-CD1 4.13Å; L624-I628 HydrophobicContact CD1-CG2 4.36Å; L624-I628 PolarHBondContact O-N 3.46Å; I628-A631 HydrophobicContact CD1-CB 4.14Å; I628-L644 HydrophobicContact CG2-CD1 4.46Å; I628-K680 WeakPolarHBondContact CA-O 3.3Å; I628-L682 HydrophobicContact CD1-CB 3.96Å; I628-L682 HydrophobicContact CD1-CD2 4.23Å; I628-L682 HydrophobicContact CG2-CB 4.18Å; I628-L715 HydrophobicContact CG2-CD1 3.68Å; I628-L715 HydrophobicContact CG2-CD2 4.27Å
629	E	94.1	Very high	94.4	Very high	108 Å²	108	48.9 Å²	48.9	51%	0.505	24%	0.241	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-80.4	-47.2	175.8	-179.4	59.9	-160.6	0	0	110.7	K620 K679 K680	K620-E629 WeakPolarHBondContact CE-O 3.39Å; E629-K679 HydrophobicContact CB-CB 3.9Å; E629-K680 PolarHBondContact N-O 3.25Å
630	K	95	Very high	94.4	Very high	79 Å²	79	48.8 Å²	48.8	34%	0.343	24%	0.241	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-158.5	159	175.4	62.6	-174.7	178.5	-175.5	0	110.1	E591 V632 V681 L682	E591-K630 WeakPolarHBondContact OE1-CE 3.45Å; E591-K630 IonicContact OE1-NZ 2.95Å; E591-K630 PolarHBondContact OE1-NZ 2.99Å; K630-V632 HydrophobicContact CD-CG1 4.08Å; K630-V632 HydrophobicContact CG-CG1 4.18Å; K630-V681 HydrophobicContact CD-CG2 4.46Å; K630-V681 HydrophobicContact CG-CB 4.45Å; K630-V681 HydrophobicContact CG-CG1 3.91Å; K630-V681 HydrophobicContact CG-CG2 3.98Å; K630-L682 PolarHBondContact O-N 3.19Å
631	A	96.4	Very high	94.5	Very high	4 Å²	4	45.9 Å²	45.9	3%	0.033	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.4	142.2	166.3	0	0	0	0	0	109.7	I616 L619 I628 L682	I616-A631 HydrophobicContact CG2-CB 4.25Å; I616-A631 WeakPolarHBondContact CG2-O 3.23Å; L619-A631 HydrophobicContact CB-CB 3.99Å; L619-A631 HydrophobicContact CD1-CB 4.1Å; I628-A631 HydrophobicContact CD1-CB 4.14Å; A631-L682 CarbonylContact C-O 3.6Å; A631-L682 VanDerWaalsContact CA-O 3.23Å; A631-L682 WeakPolarHBondContact CA-O 3.24Å; A631-L682 HydrophobicContact CB-CB 4.49Å
632	V	95.7	Very high	94.5	Very high	41 Å²	41	42.2 Å²	42.2	25%	0.248	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-144.3	157.1	179.2	-59.8	0	0	0	0	111.9	K630 S634 V681 L682 E683 I684	K630-V632 HydrophobicContact CD-CG1 4.08Å; K630-V632 HydrophobicContact CG-CG1 4.18Å; V632-S634 PolarHBondContact O-N 3.11Å; V632-V681 HydrophobicContact CG1-CG1 4.47Å; V632-V681 HydrophobicContact CG2-CG1 3.84Å; V632-L682 PolarHBondContact N-O 2.97Å; V632-E683 HydrophobicContact CG2-CG 3.76Å; V632-E683 WeakPolarHBondContact O-CA 3.14Å; V632-I684 WeakPolarHBondContact O-CG1 3.49Å; V632-I684 PolarHBondContact O-N 3.22Å
633	I	96	Very high	94.7	Very high	6 Å²	6	39 Å²	39	3%	0.031	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-72	122.4	173.1	-64.2	-51.3	0	0	0	110.2	Q605 L608 E609 Y612 I616 I684 P686	Q605-I633 PolarHBondContact NE2-O 2.84Å; Q605-I633 VanDerWaalsContact NE2-O 3.09Å; L608-I633 HydrophobicContact CB-CG1 4.39Å; L608-I633 HydrophobicContact CB-CG2 4.19Å; L608-I633 HydrophobicContact CD1-CG2 4.39Å; E609-I633 HydrophobicContact CG-CB 4.11Å; E609-I633 HydrophobicContact CG-CG1 3.95Å; Y612-I633 HydrophobicContact CD1-CD1 4.44Å; Y612-I633 HydrophobicContact CD2-CD1 4.39Å; Y612-I633 HydrophobicContact CG-CD1 3.95Å; I616-I633 HydrophobicContact CD1-CD1 4.13Å; I616-I633 HydrophobicContact CD1-CG1 4.05Å; I633-I684 HydrophobicContact CD1-CD1 3.9Å; I633-I684 HydrophobicContact CD1-CG1 3.82Å; I633-P686 HydrophobicContact CD1-CB 4.35Å; I633-P686 HydrophobicContact CD1-CG 4.44Å; I633-P686 HydrophobicContact CG2-CG 3.84Å
634	S	94.7	Very high	94.8	Very high	2 Å²	2	39.2 Å²	39.2	1%	0.014	19%	0.19	C	C	.	.			trans	-72.4	133	-177	-169.6	0	0	0	0	113.6	R554 V632 R636 L637 E683 I684	R554-S634 PolarHBondContact NH2-O 2.85Å; V632-S634 PolarHBondContact O-N 3.11Å; S634-R636 PolarHBondContact OG-N 3.34Å; S634-L637 VanDerWaalsContact OG-CG 3.29Å; S634-L637 WeakPolarHBondContact OG-CG 3.37Å; S634-L637 PolarHBondContact OG-N 3.27Å; S634-E683 WeakPolarHBondContact CB-OE2 3.22Å; S634-E683 PolarHBondContact OG-OE2 3.25Å; S634-I684 WeakPolarHBondContact CB-O 3.46Å; S634-I684 PolarHBondContact N-O 2.9Å
635	Q	90.8	Very high	94.9	Very high	37 Å²	37	39.2 Å²	39.2	17%	0.173	19%	0.19	C	C	.	.	S	Bend	trans	-90.2	-9.5	164.8	-62.1	-172.3	23.7	0	0	113.3	R554 E596	R554-Q635 WeakPolarHBondContact CD-O 3.35Å; R554-Q635 PolarHBondContact NE-O 3.04Å; R554-Q635 VanDerWaalsContact NE-O 3.14Å; R554-Q635 PolarHBondContact NH1-O 3.47Å; R554-Q635 VanDerWaalsContact NH1-O 3.12Å; E596-Q635 HydrophobicContact CG-CG 4.47Å
636	R	93.8	Very high	94.9	Very high	5 Å²	5	32.9 Å²	32.9	2%	0.019	16%	0.163	C	C	.	.	S	Bend	trans	-106.3	-23.4	-171.7	77.5	-165.6	69.6	-153.6	6.9	115.1	R554 V588 K590 L593 S634 E683	R554-R636 WeakPolarHBondContact CB-O 3.28Å; R554-R636 PolarHBondContact N-O 2.94Å; V588-R636 PolarHBondContact O-NH1 3.36Å; K590-R636 PolarHBondContact O-NH1 3.21Å; K590-R636 PolarHBondContact O-NH2 3.46Å; K590-R636 VanDerWaalsContact O-NH2 3.16Å; L593-R636 HydrophobicContact CD2-CB 3.46Å; L593-R636 VanDerWaalsContact CD2-CB 3.46Å; S634-R636 PolarHBondContact OG-N 3.34Å; R636-E683 WeakPolarHBondContact CD-OE2 3.27Å; R636-E683 WeakPolarHBondContact CG-OE2 3.43Å; R636-E683 IonicContact CZ-OE1 3.7Å; R636-E683 IonicContact CZ-OE2 3.63Å; R636-E683 VanDerWaalsContact NE-CD 3.28Å; R636-E683 IonicContact NE-OE1 2.72Å; R636-E683 PolarHBondContact NE-OE1 3.28Å; R636-E683 IonicContact NE-OE2 2.73Å; R636-E683 PolarHBondContact NE-OE2 3.13Å; R636-E683 IonicContact NH2-OE1 3.85Å; R636-E683 PolarHBondContact NH2-OE1 3.15Å; R636-E683 IonicContact NH2-OE2 2.76Å
637	L	95.5	Very high	95	Very high	0 Å²	0	29.2 Å²	29.2	0%	0	15%	0.145	C	C	.	.			trans	-79.7	149.2	-176.9	-58.7	173	0	0	0	112.3	P550 R554 S634 A643 N685	P550-L637 HydrophobicContact CB-CD2 3.64Å; R554-L637 PolarHBondContact NE-O 3.1Å; R554-L637 VanDerWaalsContact NE-O 3.15Å; R554-L637 PolarHBondContact NH2-O 3.19Å; S634-L637 VanDerWaalsContact OG-CG 3.29Å; S634-L637 WeakPolarHBondContact OG-CG 3.37Å; S634-L637 PolarHBondContact OG-N 3.27Å; L637-A643 HydrophobicContact CD1-CB 4.39Å; L637-A643 HydrophobicContact CD2-CB 3.78Å; L637-N685 HydrophobicContact CB-CB 3.92Å; L637-N685 HydrophobicContact CD1-CB 4.01Å
638	T	94.2	Very high	94.8	Very high	45 Å²	45	28 Å²	28	28%	0.276	15%	0.149	S	C	.	.	S	Bend	trans	-129.3	-57.8	170.8	66.4	0	0	0	0	112.1	E553 R554 K557 N685	E553-T638 HydrophobicContact CB-CG2 4.15Å; E553-T638 WeakPolarHBondContact CB-OG1 3.49Å; E553-T638 WeakPolarHBondContact OE2-CA 3.4Å; E553-T638 PolarHBondContact OE2-N 3.48Å; E553-T638 PolarHBondContact OE2-OG1 3.11Å; E553-T638 VanDerWaalsContact OE2-OG1 3.11Å; R554-T638 HydrophobicContact CB-CG2 3.67Å; R554-T638 HydrophobicContact CG-CG2 4.01Å; K557-T638 HydrophobicContact CD-CG2 3.94Å; T638-N685 PolarHBondContact O-ND2 3.46Å
639	K	94.9	Very high	94.3	Very high	137 Å²	137	38.6 Å²	38.6	60%	0.596	19%	0.189	S	C	*	.	S	Bend	trans	-101.2	-24.2	-176.9	60	176.2	178.7	-179.9	0	112	E553 H688	E553-K639 HydrophobicContact CG-CG 4.34Å; E553-K639 VanDerWaalsContact OE1-CE 3.23Å; E553-K639 WeakPolarHBondContact OE1-CE 3.12Å; E553-K639 WeakPolarHBondContact OE1-CG 3.31Å; E553-K639 WeakPolarHBondContact OE2-CG 3.43Å; E553-K639 PolarHBondContact OE2-N 3.08Å; K639-H688 PolarHBondContact O-CD2 3.05Å; K639-H688 PolarHBondContact O-NE2 2.91Å
640	S	96.7	Very high	94.1	Very high	2 Å²	2	33.4 Å²	33.4	1%	0.014	17%	0.165	C	C	.	.			trans	-82.7	145.1	-179.2	-65.7	0	0	0	0	112.4	E553 N685 R721	E553-S640 WeakPolarHBondContact OE1-CB 3.49Å; E553-S640 PolarHBondContact OE1-OG 2.98Å; E553-S640 PolarHBondContact OE2-N 3.41Å; S640-N685 WeakPolarHBondContact O-CB 3.43Å; S640-N685 PolarHBondContact O-ND2 3.38Å; S640-R721 VanDerWaalsContact OG-CZ 3.28Å; S640-R721 PolarHBondContact OG-NH1 2.83Å; S640-R721 PolarHBondContact OG-NH2 3.09Å
641	P	97.1	Very high	93.9	Very high	26 Å²	26	31.5 Å²	31.5	17%	0.169	16%	0.155	C	C	.	.	S	Bend	trans	-71.1	-41.6	-179.9	24.5	-32	0	0	0	112.9	N685 H688 I691 L714	P641-N685 WeakPolarHBondContact O-CB 3.31Å; P641-N685 PolarHBondContact O-N 3.31Å; P641-H688 HydrophobicContact CB-CB 4.4Å; P641-I691 HydrophobicContact CB-CD1 4.29Å; P641-I691 HydrophobicContact CB-CG1 4.18Å; P641-I691 WeakPolarHBondContact O-CG1 3.43Å; P641-L714 HydrophobicContact CB-CD2 3.94Å; P641-L714 HydrophobicContact CG-CD2 3.89Å
642	C	97	Very high	93.8	Very high	7 Å²	7	31.4 Å²	31.4	5%	0.047	16%	0.155	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-156.3	164.7	-179.4	54.4	0	0	0	0	111.1	L682 E683 I684 L714	C642-L682 HydrophobicContact CB-CD1 4Å; C642-E683 CarbonylContact C-O 3.5Å; C642-E683 WeakPolarHBondContact CA-O 3.49Å; C642-E683 VanDerWaalsContact CB-O 3.22Å; C642-E683 WeakPolarHBondContact CB-O 2.95Å; C642-I684 HydrophobicContact CB-CG2 4.19Å; C642-L714 PolarHBondContact SG-O 2.94Å
643	A	97.1	Very high	93.7	Very high	0 Å²	0	29.6 Å²	29.6	0%	0	14%	0.144	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-146.6	154.1	173.3	0	0	0	0	0	110.5	P550 F551 L637 E683	P550-A643 HydrophobicContact CB-CB 4.13Å; P550-A643 HydrophobicContact CG-CB 4.09Å; F551-A643 HydrophobicContact CD1-CB 4.38Å; F551-A643 HydrophobicContact CE1-CB 3.88Å; L637-A643 HydrophobicContact CD1-CB 4.39Å; L637-A643 HydrophobicContact CD2-CB 3.78Å; A643-E683 PolarHBondContact N-O 3.09Å; A643-E683 PolarHBondContact O-N 2.62Å
644	L	96.2	Very high	93.7	Very high	9 Å²	9	29.8 Å²	29.8	5%	0.047	15%	0.145	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.9	115.5	-179	-165.3	67.6	0	0	0	109.5	F551 I628 K680 L715 T719 S722 Y724	F551-L644 VanDerWaalsContact CZ-O 3.28Å; F551-L644 WeakPolarHBondContact CZ-O 3.08Å; I628-L644 HydrophobicContact CG2-CD1 4.46Å; L644-K680 HydrophobicContact CD1-CB 3.57Å; L644-K680 HydrophobicContact CD2-CB 3.89Å; L644-K680 HydrophobicContact CD2-CD 4.4Å; L644-K680 HydrophobicContact CD2-CG 4.25Å; L644-K680 HydrophobicContact CG-CB 3.49Å; L644-K680 VanDerWaalsContact CG-CB 3.49Å; L644-K680 HydrophobicContact CG-CG 4.22Å; L644-L715 HydrophobicContact CD1-CD1 4.02Å; L644-T719 HydrophobicContact CD2-CG2 4.48Å; L644-S722 PolarHBondContact N-OG 3.33Å; L644-S722 WeakPolarHBondContact O-CB 3.4Å; L644-S722 PolarHBondContact O-OG 2.79Å; L644-Y724 HydrophobicContact CD2-CD2 3.91Å; L644-Y724 HydrophobicContact CD2-CE2 4.23Å; L644-Y724 HydrophobicContact CD2-CG 4.48Å; L644-Y724 HydrophobicContact CG-CD2 4.48Å; L644-Y724 HydrophobicContact CG-CE2 4.4Å
645	V	95.9	Very high	93.6	Very high	0 Å²	0	30 Å²	30	0%	0	15%	0.146	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.8	134.8	-171.3	175.8	0	0	0	0	109.7	F551 E591 V681 E683	F551-V645 HydrophobicContact CD1-CG2 4.37Å; F551-V645 HydrophobicContact CE1-CG2 3.76Å; E591-V645 HydrophobicContact CG-CG1 4.08Å; E591-V645 VanDerWaalsContact N-CG1 3.31Å; V645-V681 HydrophobicContact CB-CB 4.47Å; V645-V681 PolarHBondContact N-O 3.01Å; V645-V681 PolarHBondContact O-N 3.18Å; V645-E683 HydrophobicContact CB-CG 4.42Å; V645-E683 HydrophobicContact CG2-CB 4.44Å; V645-E683 HydrophobicContact CG2-CG 3.78Å
646	A	94.8	Very high	93.6	Very high	1 Å²	1	28.6 Å²	28.6	1%	0.008	14%	0.139	C	C	.	.	B	Isolated β-bridge	trans	-71.2	153.1	173	0	0	0	0	0	110.7	A589 K590 E591 W651 Y724	A589-A646 PolarHBondContact O-N 3.45Å; K590-A646 CarbonylContact C-O 3.33Å; K590-A646 WeakPolarHBondContact CA-O 3.5Å; K590-A646 HydrophobicContact CG-CB 4.2Å; E591-A646 PolarHBondContact N-O 3.27Å; A646-W651 VanDerWaalsContact CB-O 3.23Å; A646-W651 WeakPolarHBondContact CB-O 3.45Å; A646-Y724 WeakPolarHBondContact CB-OH 3.47Å
647	S	91.9	Very high	93.5	Very high	23 Å²	23	32.3 Å²	32.3	16%	0.161	15%	0.153	C	C	.	.			trans	-59.4	165.6	168.3	80.9	0	0	0	0	110.9	W649 G650 E678	S647-W649 PolarHBondContact O-N 3.41Å; S647-W649 VanDerWaalsContact O-N 3.14Å; S647-W649 PolarHBondContact OG-N 3.03Å; S647-G650 PolarHBondContact O-N 2.86Å; S647-G650 WeakPolarHBondContact OG-CA 3.26Å; S647-G650 PolarHBondContact OG-N 3.45Å; S647-E678 VanDerWaalsContact CB-OE1 3.23Å; S647-E678 WeakPolarHBondContact CB-OE1 3.3Å; S647-E678 PolarHBondContact OG-OE1 2.97Å
648	A	87.6	Confident	93.2	Very high	51 Å²	51	32.8 Å²	32.8	42%	0.421	16%	0.156	S	C	.	.	S	Bend	trans	-55.8	-32.4	178.8	0	0	0	0	0	113.2
649	W	85.4	Confident	92.9	Very high	227 Å²	227	32.2 Å²	32.2	86%	0.86	15%	0.151	S	C	*	.	S	Bend	trans	-103.8	-14.3	-177.7	-56.1	108.9	0	0	0	113.7	S647	S647-W649 PolarHBondContact O-N 3.41Å; S647-W649 VanDerWaalsContact O-N 3.14Å; S647-W649 PolarHBondContact OG-N 3.03Å
650	G	89.3	Confident	92.5	Very high	0 Å²	0	31.3 Å²	31.3	0%	0	14%	0.143	C	C	.	.	S	Bend	trans	-75	174.3	-177.3	0	0	0	0	0	114.6	K590 S647 E678	K590-G650 WeakPolarHBondContact CE-O 3.38Å; K590-G650 PolarHBondContact NZ-O 3.47Å; S647-G650 PolarHBondContact O-N 2.86Å; S647-G650 WeakPolarHBondContact OG-CA 3.26Å; S647-G650 PolarHBondContact OG-N 3.45Å; G650-E678 WeakPolarHBondContact CA-OE2 3.38Å
651	W	91.6	Very high	92	Very high	38 Å²	38	35.2 Å²	35.2	14%	0.144	17%	0.17	C	C	.	.			trans	-81.1	131.9	176.5	-68.4	-7.1	0	0	0	111.9	A646 M655 E656 M659 H672 Y675 L676 Y724	A646-W651 VanDerWaalsContact CB-O 3.23Å; A646-W651 WeakPolarHBondContact CB-O 3.45Å; W651-M655 HydrophobicContact CB-CB 4.17Å; W651-M655 HydrophobicContact CB-CG 4.18Å; W651-M655 HydrophobicContact CD2-CG 4.31Å; W651-M655 HydrophobicContact CG-CB 4.41Å; W651-M655 HydrophobicContact CG-CG 3.87Å; W651-E656 HydrophobicContact CB-CB 4.44Å; W651-E656 HydrophobicContact CE3-CB 4.4Å; W651-E656 HydrophobicContact CE3-CG 4.29Å; W651-M659 HydrophobicContact CD2-CG 4.32Å; W651-M659 HydrophobicContact CE3-CB 4.16Å; W651-M659 HydrophobicContact CE3-CG 4.14Å; W651-M659 HydrophobicContact CH2-CB 3.65Å; W651-M659 HydrophobicContact CH2-CG 3.59Å; W651-M659 HydrophobicContact CH2-SD 4.35Å; W651-M659 HydrophobicContact CZ2-CB 4.4Å; W651-M659 HydrophobicContact CZ2-CG 3.83Å; W651-M659 HydrophobicContact CZ2-SD 4.36Å; W651-M659 HydrophobicContact CZ3-CB 3.5Å; W651-M659 HydrophobicContact CZ3-CG 3.75Å; W651-H672 HydrophobicContact CH2-CB 4.45Å; W651-H672 AromaticContact CH2-CD2 3.25Å; W651-H672 WeakPolarHBondContact CH2-CD2 3.43Å; W651-H672 AromaticContact CH2-NE2 3.92Å; W651-H672 AromaticContact CZ3-CD2 3.25Å; W651-H672 WeakPolarHBondContact CZ3-CD2 3.37Å; W651-H672 AromaticContact CZ3-NE2 3.64Å; W651-Y675 AromaticContact CD1-CD1 3.97Å; W651-Y675 VanDerWaalsContact CD2-CB 3.49Å; W651-Y675 HydrophobicContact CD2-CD1 4.48Å; W651-Y675 HydrophobicContact CD2-CD2 4.44Å; W651-Y675 AromaticContact CD2-CG 3.93Å; W651-Y675 HydrophobicContact CD2-CG 3.93Å; W651-Y675 AromaticContact CE2-CD2 3.66Å; W651-Y675 AromaticContact CE2-CG 3.59Å; W651-Y675 HydrophobicContact CG-CD1 4.31Å; W651-Y675 HydrophobicContact CG-CG 4.23Å; W651-Y675 HydrophobicContact CH2-CD2 4.39Å; W651-Y675 AromaticContact CZ2-CD2 3.62Å; W651-Y675 HydrophobicContact CZ2-CD2 3.62Å; W651-Y675 HydrophobicContact CZ2-CE2 4.45Å; W651-Y675 AromaticContact CZ2-CG 3.95Å; W651-Y675 HydrophobicContact CZ2-CG 3.95Å; W651-Y675 AromaticContact NE1-CD1 3.93Å; W651-Y675 AromaticContact NE1-CD2 3.77Å; W651-Y675 AromaticContact NE1-CG 3.67Å; W651-L676 HydrophobicContact CE3-CD2 4.29Å; W651-L676 HydrophobicContact CZ3-CD2 3.98Å; W651-L676 HydrophobicContact CZ3-CG 4.44Å; W651-Y724 PolarHBondContact O-OH 2.94Å
652	S	94.2	Very high	91.3	Very high	3 Å²	3	38.3 Å²	38.3	2%	0.021	18%	0.183	C	C	.	.			trans	-64.5	163.9	166.3	72.2	0	0	0	0	109.8	E571 N654 M655 E656	E571-S652 VanDerWaalsContact CD-OG 3.3Å; E571-S652 WeakPolarHBondContact OE1-CB 3.29Å; E571-S652 PolarHBondContact OE1-OG 2.74Å; E571-S652 PolarHBondContact OE2-OG 2.9Å; S652-N654 PolarHBondContact O-N 2.9Å; S652-M655 PolarHBondContact O-N 3.46Å; S652-M655 WeakPolarHBondContact OG-CB 3.32Å; S652-M655 PolarHBondContact OG-N 2.88Å; S652-E656 PolarHBondContact O-N 2.89Å
653	G	93.6	Very high	90.2	Very high	2 Å²	2	42.3 Å²	42.3	2%	0.021	22%	0.217	C	C	.	.	H	α-helix	trans	-55.8	-42.3	174	0	0	0	0	0	112.2	E656 R657 G723 Y724	G653-E656 PolarHBondContact O-N 3.23Å; G653-R657 WeakPolarHBondContact O-CB 3.41Å; G653-R657 PolarHBondContact O-N 2.86Å; G653-G723 CarbonylContact C-O 3.5Å; G653-G723 WeakPolarHBondContact CA-O 3.39Å; G653-Y724 PolarHBondContact N-OH 3.25Å
654	N	94.6	Very high	89.1	Confident	10 Å²	10	52.7 Å²	52.7	5%	0.053	26%	0.257	C	S	.	.	H	α-helix	trans	-63.2	-44.9	176.4	-174.1	65.1	0	0	0	112.7	A539 E571 S652 R657 L658	A539-N654 HydrophobicContact CB-CB 4.19Å; A539-N654 WeakPolarHBondContact CB-ND2 3.39Å; E571-N654 WeakPolarHBondContact OE2-CB 3.2Å; E571-N654 PolarHBondContact OE2-ND2 3.4Å; S652-N654 PolarHBondContact O-N 2.9Å; N654-R657 WeakPolarHBondContact O-CB 3.4Å; N654-R657 PolarHBondContact O-N 2.88Å; N654-R657 PolarHBondContact OD1-NH2 2.89Å; N654-L658 WeakPolarHBondContact O-CG 3.48Å; N654-L658 PolarHBondContact O-N 3.49Å
655	M	92.6	Very high	87.9	Confident	6 Å²	6	54.2 Å²	54.2	3%	0.03	27%	0.269	C	S	.	.	H	α-helix	trans	-65.4	-41.7	177.4	-175	54.2	69.1	0	0	112	E571 N575 W651 S652 R657 L658 M659	E571-M655 HydrophobicContact CB-CE 3.7Å; E571-M655 HydrophobicContact CG-CE 3.54Å; E571-M655 PolarHBondContact OE2-N 2.73Å; E571-M655 VanDerWaalsContact OE2-N 3.17Å; N575-M655 WeakPolarHBondContact ND2-CE 3.35Å; W651-M655 HydrophobicContact CB-CB 4.17Å; W651-M655 HydrophobicContact CB-CG 4.18Å; W651-M655 HydrophobicContact CD2-CG 4.31Å; W651-M655 HydrophobicContact CG-CB 4.41Å; W651-M655 HydrophobicContact CG-CG 3.87Å; S652-M655 PolarHBondContact O-N 3.46Å; S652-M655 WeakPolarHBondContact OG-CB 3.32Å; S652-M655 PolarHBondContact OG-N 2.88Å; M655-R657 VanDerWaalsContact C-N 3.3Å; M655-R657 PolarHBondContact O-N 2.92Å; M655-L658 PolarHBondContact O-N 2.84Å; M655-M659 HydrophobicContact CG-CE 4.37Å; M655-M659 HydrophobicContact CG-CG 4.28Å; M655-M659 WeakPolarHBondContact O-CB 3.44Å; M655-M659 VanDerWaalsContact O-CG 3.27Å; M655-M659 WeakPolarHBondContact O-CG 3.32Å; M655-M659 PolarHBondContact O-N 3.23Å; M655-M659 HydrophobicContact SD-CE 3.25Å; M655-M659 WeakPolarHBondContact SD-CE 3.34Å; M655-M659 HydrophobicContact SD-CG 3.98Å
656	E	91.9	Very high	86.8	Confident	8 Å²	8	62.1 Å²	62.1	4%	0.037	30%	0.303	C	S	.	.	H	α-helix	trans	-58.9	-44.2	176.3	-165.4	-176.2	136.2	0	0	110.8	W651 S652 G653 M659 R660 L676 K680 Y724	W651-E656 HydrophobicContact CB-CB 4.44Å; W651-E656 HydrophobicContact CE3-CB 4.4Å; W651-E656 HydrophobicContact CE3-CG 4.29Å; S652-E656 PolarHBondContact O-N 2.89Å; G653-E656 PolarHBondContact O-N 3.23Å; E656-M659 PolarHBondContact O-N 3.16Å; E656-R660 WeakPolarHBondContact O-CB 3.35Å; E656-R660 VanDerWaalsContact O-CG 3.29Å; E656-R660 WeakPolarHBondContact O-CG 3.39Å; E656-R660 PolarHBondContact O-N 3.38Å; E656-R660 IonicContact OE1-CZ 2.68Å; E656-R660 IonicContact OE1-NE 2.68Å; E656-R660 PolarHBondContact OE1-NE 3.49Å; E656-R660 IonicContact OE1-NH2 2.76Å; E656-R660 PolarHBondContact OE1-NH2 3.37Å; E656-L676 HydrophobicContact CG-CD2 3.46Å; E656-L676 VanDerWaalsContact CG-CD2 3.46Å; E656-K680 IonicContact OE2-NZ 3.71Å; E656-K680 PolarHBondContact OE2-NZ 3.49Å; E656-Y724 WeakPolarHBondContact OE2-CD1 3.4Å; E656-Y724 WeakPolarHBondContact OE2-CE1 3.33Å
657	R	91.3	Very high	85.7	Confident	84 Å²	84	67.6 Å²	67.6	32%	0.317	34%	0.341	S	S	.	.	H	α-helix	trans	-60.3	-47.4	175	-177.8	-170.3	63.8	77.1	-0.7	112	G653 N654 M655 R660 S661	G653-R657 WeakPolarHBondContact O-CB 3.41Å; G653-R657 PolarHBondContact O-N 2.86Å; N654-R657 WeakPolarHBondContact O-CB 3.4Å; N654-R657 PolarHBondContact O-N 2.88Å; N654-R657 PolarHBondContact OD1-NH2 2.89Å; M655-R657 VanDerWaalsContact C-N 3.3Å; M655-R657 PolarHBondContact O-N 2.92Å; R657-R660 PolarHBondContact O-N 2.8Å; R657-S661 PolarHBondContact O-N 2.85Å; R657-S661 VanDerWaalsContact O-N 3.08Å; R657-S661 PolarHBondContact O-OG 2.85Å
658	L	90.4	Very high	84.8	Confident	10 Å²	10	73.5 Å²	73.5	5%	0.052	37%	0.366	C	S	.	.	H	α-helix	trans	-60.4	-47.3	179	-71.4	173	0	0	0	111.6	P568 Y572 N654 M655 R660 S661 Q662	P568-L658 HydrophobicContact CB-CD2 3.7Å; P568-L658 HydrophobicContact CG-CD2 4.45Å; P568-L658 WeakPolarHBondContact O-CD1 3.28Å; Y572-L658 HydrophobicContact CE2-CB 4.47Å; Y572-L658 HydrophobicContact CE2-CD1 4.14Å; N654-L658 WeakPolarHBondContact O-CG 3.48Å; N654-L658 PolarHBondContact O-N 3.49Å; M655-L658 PolarHBondContact O-N 2.84Å; L658-R660 PolarHBondContact O-N 3.4Å; L658-S661 PolarHBondContact O-N 3.15Å; L658-S661 VanDerWaalsContact O-N 3.15Å; L658-S661 PolarHBondContact O-OG 3.14Å; L658-Q662 PolarHBondContact O-N 3.17Å
659	M	87.8	Confident	84.4	Confident	33 Å²	33	73.7 Å²	73.7	16%	0.163	36%	0.36	C	S	.	.	H	α-helix	trans	-64.1	-37.9	-179.9	-68.9	-65.1	161.9	0	0	113	Y572 W651 M655 E656 S661 Q662	Y572-M659 HydrophobicContact CD1-CE 4.45Å; Y572-M659 HydrophobicContact CE1-CE 3.34Å; Y572-M659 VanDerWaalsContact CZ-CE 3.43Å; Y572-M659 WeakPolarHBondContact OH-CE 3.3Å; W651-M659 HydrophobicContact CD2-CG 4.32Å; W651-M659 HydrophobicContact CE3-CB 4.16Å; W651-M659 HydrophobicContact CE3-CG 4.14Å; W651-M659 HydrophobicContact CH2-CB 3.65Å; W651-M659 HydrophobicContact CH2-CG 3.59Å; W651-M659 HydrophobicContact CH2-SD 4.35Å; W651-M659 HydrophobicContact CZ2-CB 4.4Å; W651-M659 HydrophobicContact CZ2-CG 3.83Å; W651-M659 HydrophobicContact CZ2-SD 4.36Å; W651-M659 HydrophobicContact CZ3-CB 3.5Å; W651-M659 HydrophobicContact CZ3-CG 3.75Å; M655-M659 HydrophobicContact CG-CE 4.37Å; M655-M659 HydrophobicContact CG-CG 4.28Å; M655-M659 WeakPolarHBondContact O-CB 3.44Å; M655-M659 VanDerWaalsContact O-CG 3.27Å; M655-M659 WeakPolarHBondContact O-CG 3.32Å; M655-M659 PolarHBondContact O-N 3.23Å; M655-M659 HydrophobicContact SD-CE 3.25Å; M655-M659 WeakPolarHBondContact SD-CE 3.34Å; M655-M659 HydrophobicContact SD-CG 3.98Å; E656-M659 PolarHBondContact O-N 3.16Å; M659-S661 VanDerWaalsContact C-N 3.33Å; M659-Q662 PolarHBondContact O-N 3.39Å
660	R	85.5	Confident	84.3	Confident	117 Å²	117	67.7 Å²	67.7	44%	0.442	35%	0.35	S	S	.	.	H	α-helix	trans	-67.7	-32.1	174.5	-73.6	176.2	179.8	-84	6.4	112.9	E656 R657 L658 Q662 L676	E656-R660 WeakPolarHBondContact O-CB 3.35Å; E656-R660 VanDerWaalsContact O-CG 3.29Å; E656-R660 WeakPolarHBondContact O-CG 3.39Å; E656-R660 PolarHBondContact O-N 3.38Å; E656-R660 IonicContact OE1-CZ 2.68Å; E656-R660 IonicContact OE1-NE 2.68Å; E656-R660 PolarHBondContact OE1-NE 3.49Å; E656-R660 IonicContact OE1-NH2 2.76Å; E656-R660 PolarHBondContact OE1-NH2 3.37Å; R657-R660 PolarHBondContact O-N 2.8Å; L658-R660 PolarHBondContact O-N 3.4Å; R660-Q662 VanDerWaalsContact C-N 3.26Å; R660-Q662 PolarHBondContact O-N 3.29Å; R660-L676 HydrophobicContact CG-CD2 4.15Å
661	S	85.5	Confident	84	Confident	84 Å²	84	71.7 Å²	71.7	59%	0.587	38%	0.375	S	S	*	.	T	Hydrogen-bonded Turn	trans	-78	-7.3	179.7	69	0	0	0	0	114.3	R657 L658 M659 A663	R657-S661 PolarHBondContact O-N 2.85Å; R657-S661 VanDerWaalsContact O-N 3.08Å; R657-S661 PolarHBondContact O-OG 2.85Å; L658-S661 PolarHBondContact O-N 3.15Å; L658-S661 VanDerWaalsContact O-N 3.15Å; L658-S661 PolarHBondContact O-OG 3.14Å; M659-S661 VanDerWaalsContact C-N 3.33Å; S661-A663 PolarHBondContact O-N 3.11Å
662	Q	83.3	Confident	83.5	Confident	91 Å²	91	71.4 Å²	71.4	43%	0.425	38%	0.375	S	S	.	.			trans	-77.2	106.4	-177.9	-174.5	171.6	3.3	0	0	111.6	L658 M659 R660 Y664 S665	L658-Q662 PolarHBondContact O-N 3.17Å; M659-Q662 PolarHBondContact O-N 3.39Å; R660-Q662 VanDerWaalsContact C-N 3.26Å; R660-Q662 PolarHBondContact O-N 3.29Å; Q662-Y664 VanDerWaalsContact C-N 3.29Å; Q662-Y664 PolarHBondContact O-N 3.34Å; Q662-S665 WeakPolarHBondContact CB-OG 3.37Å; Q662-S665 WeakPolarHBondContact CG-OG 3.29Å; Q662-S665 WeakPolarHBondContact O-CB 3.27Å; Q662-S665 PolarHBondContact O-N 3.02Å; Q662-S665 PolarHBondContact O-OG 3.23Å
663	A	74.7	Confident	83.1	Confident	92 Å²	92	74.7 Å²	74.7	76%	0.76	39%	0.39	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.6	-26.6	-175.2	0	0	0	0	0	115.1	S661	S661-A663 PolarHBondContact O-N 3.11Å
664	Y	73.7	Confident	82.7	Confident	217 Å²	217	81.9 Å²	81.9	85%	0.851	42%	0.418	S	S	*	.	T	Hydrogen-bonded Turn	trans	-93	5	-177.7	-58.9	-71.9	0	0	0	114	Q662	Q662-Y664 VanDerWaalsContact C-N 3.29Å; Q662-Y664 PolarHBondContact O-N 3.34Å
665	S	70.6	Confident	82.2	Confident	41 Å²	41	85 Å²	85	29%	0.287	43%	0.429	S	S	.	.	S	Bend	trans	-68.3	137.4	175.2	-66.8	0	0	0	0	110.1	Q662 S667	Q662-S665 WeakPolarHBondContact CB-OG 3.37Å; Q662-S665 WeakPolarHBondContact CG-OG 3.29Å; Q662-S665 WeakPolarHBondContact O-CB 3.27Å; Q662-S665 PolarHBondContact O-N 3.02Å; Q662-S665 PolarHBondContact O-OG 3.23Å; S665-S667 PolarHBondContact O-N 3.17Å
666	K	72.7	Confident	81.9	Confident	167 Å²	167	86.1 Å²	86.1	73%	0.726	44%	0.435	S	S	*	.			trans	-61.3	132.5	173.3	-67.7	-179.7	179.4	178.8	0	108.9	H668 D669	K666-H668 PolarHBondContact O-N 3.05Å; K666-D669 HydrophobicContact CB-CB 4.47Å; K666-D669 PolarHBondContact O-N 3.38Å
667	S	71.5	Confident	81.6	Confident	116 Å²	116	92.1 Å²	92.1	81%	0.811	46%	0.461	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.2	-21.8	-175.9	-45.2	0	0	0	0	114.3	S665	S665-S667 PolarHBondContact O-N 3.17Å
668	H	73.7	Confident	81.4	Confident	147 Å²	147	90 Å²	90	68%	0.681	46%	0.455	S	S	*	.	T	Hydrogen-bonded Turn	trans	-134.4	55.5	179.9	-63	88.6	0	0	0	111.1	K666 P670 E673	K666-H668 PolarHBondContact O-N 3.05Å; H668-P670 VanDerWaalsContact O-CD 3.3Å; H668-P670 WeakPolarHBondContact O-CD 3.06Å; H668-E673 IonicContact CD2-OE1 3.5Å
669	D	79.5	Confident	81.5	Confident	55 Å²	55	92.7 Å²	92.7	29%	0.294	47%	0.466	S	S	.	.			trans	-74.6	116.1	170.1	-171.6	-29.5	0	0	0	109.7	K666 T671 H672 E673	K666-D669 HydrophobicContact CB-CB 4.47Å; K666-D669 PolarHBondContact O-N 3.38Å; D669-T671 VanDerWaalsContact CG-OG1 3.26Å; D669-T671 PolarHBondContact O-N 3.1Å; D669-T671 WeakPolarHBondContact OD1-CB 3.42Å; D669-T671 PolarHBondContact OD1-N 2.87Å; D669-T671 PolarHBondContact OD1-OG1 3.37Å; D669-T671 PolarHBondContact OD2-OG1 2.82Å; D669-H672 HydrophobicContact CB-CB 3.81Å; D669-H672 WeakPolarHBondContact O-CB 3.17Å; D669-H672 PolarHBondContact O-N 3.24Å; D669-E673 PolarHBondContact O-N 3.29Å
670	P	83	Confident	81.8	Confident	100 Å²	100	92.2 Å²	92.2	65%	0.649	46%	0.463	S	S	*	.	H	α-helix	trans	-58.5	-31.4	-179.3	-23.5	34.2	0	0	0	113.3	H668 Y674	H668-P670 VanDerWaalsContact O-CD 3.3Å; H668-P670 WeakPolarHBondContact O-CD 3.06Å; P670-Y674 WeakPolarHBondContact O-CB 3.29Å; P670-Y674 PolarHBondContact O-N 2.87Å; P670-Y674 VanDerWaalsContact O-N 3.08Å
671	T	82.1	Confident	82.3	Confident	84 Å²	84	86.8 Å²	86.8	52%	0.515	44%	0.443	S	S	.	.	H	α-helix	trans	-70.5	-41.3	178	66.4	0	0	0	0	110.7	D669 Y674 Y675	D669-T671 VanDerWaalsContact CG-OG1 3.26Å; D669-T671 PolarHBondContact O-N 3.1Å; D669-T671 WeakPolarHBondContact OD1-CB 3.42Å; D669-T671 PolarHBondContact OD1-N 2.87Å; D669-T671 PolarHBondContact OD1-OG1 3.37Å; D669-T671 PolarHBondContact OD2-OG1 2.82Å; T671-Y674 PolarHBondContact O-N 3.16Å; T671-Y675 WeakPolarHBondContact O-CD2 3.43Å; T671-Y675 PolarHBondContact O-N 3.46Å
672	H	82.5	Confident	82.8	Confident	33 Å²	33	83 Å²	83	15%	0.153	42%	0.416	C	S	.	.	H	α-helix	trans	-61.9	-50.3	175	-169.4	-175.3	0	0	0	110.4	W651 D669 Y674 Y675 L676	W651-H672 HydrophobicContact CH2-CB 4.45Å; W651-H672 AromaticContact CH2-CD2 3.25Å; W651-H672 WeakPolarHBondContact CH2-CD2 3.43Å; W651-H672 AromaticContact CH2-NE2 3.92Å; W651-H672 AromaticContact CZ3-CD2 3.25Å; W651-H672 WeakPolarHBondContact CZ3-CD2 3.37Å; W651-H672 AromaticContact CZ3-NE2 3.64Å; D669-H672 HydrophobicContact CB-CB 3.81Å; D669-H672 WeakPolarHBondContact O-CB 3.17Å; D669-H672 PolarHBondContact O-N 3.24Å; H672-Y674 VanDerWaalsContact C-N 3.27Å; H672-Y674 PolarHBondContact O-N 2.83Å; H672-Y675 PolarHBondContact O-N 3.04Å; H672-L676 VanDerWaalsContact O-CG 3.32Å; H672-L676 WeakPolarHBondContact O-CG 3.38Å; H672-L676 PolarHBondContact O-N 3.18Å
673	E	83.8	Confident	83.5	Confident	72 Å²	72	79.3 Å²	79.3	34%	0.336	40%	0.399	S	S	.	.	H	α-helix	trans	-58.1	-38.9	178.7	-76.7	-164.6	-156.9	0	0	113.3	H668 D669 L676 K677	H668-E673 IonicContact CD2-OE1 3.5Å; D669-E673 PolarHBondContact O-N 3.29Å; E673-L676 PolarHBondContact O-N 3.19Å; E673-K677 WeakPolarHBondContact O-CB 3.38Å; E673-K677 WeakPolarHBondContact O-CG 3.42Å; E673-K677 PolarHBondContact O-N 2.95Å; E673-K677 IonicContact OE2-NZ 2.77Å; E673-K677 PolarHBondContact OE2-NZ 3.48Å
674	Y	86.2	Confident	84.5	Confident	153 Å²	153	75 Å²	75	60%	0.6	36%	0.363	S	S	*	.	H	α-helix	trans	-58.9	-52.1	177.6	174.6	-96.9	0	0	0	111.5	P670 T671 H672 L676 K677 E678	P670-Y674 WeakPolarHBondContact O-CB 3.29Å; P670-Y674 PolarHBondContact O-N 2.87Å; P670-Y674 VanDerWaalsContact O-N 3.08Å; T671-Y674 PolarHBondContact O-N 3.16Å; H672-Y674 VanDerWaalsContact C-N 3.27Å; H672-Y674 PolarHBondContact O-N 2.83Å; Y674-L676 PolarHBondContact O-N 2.95Å; Y674-K677 PolarHBondContact O-N 3.17Å; Y674-E678 PolarHBondContact O-N 3Å; Y674-E678 VanDerWaalsContact O-N 3.11Å
675	Y	84.5	Confident	85.6	Confident	75 Å²	75	64.8 Å²	64.8	29%	0.294	32%	0.323	S	S	.	.	H	α-helix	trans	-67.7	-33.7	-179.9	-71.7	-70.2	0	0	0	112.9	W651 T671 H672 K677 E678	W651-Y675 AromaticContact CD1-CD1 3.97Å; W651-Y675 VanDerWaalsContact CD2-CB 3.49Å; W651-Y675 HydrophobicContact CD2-CD1 4.48Å; W651-Y675 HydrophobicContact CD2-CD2 4.44Å; W651-Y675 AromaticContact CD2-CG 3.93Å; W651-Y675 HydrophobicContact CD2-CG 3.93Å; W651-Y675 AromaticContact CE2-CD2 3.66Å; W651-Y675 AromaticContact CE2-CG 3.59Å; W651-Y675 HydrophobicContact CG-CD1 4.31Å; W651-Y675 HydrophobicContact CG-CG 4.23Å; W651-Y675 HydrophobicContact CH2-CD2 4.39Å; W651-Y675 AromaticContact CZ2-CD2 3.62Å; W651-Y675 HydrophobicContact CZ2-CD2 3.62Å; W651-Y675 HydrophobicContact CZ2-CE2 4.45Å; W651-Y675 AromaticContact CZ2-CG 3.95Å; W651-Y675 HydrophobicContact CZ2-CG 3.95Å; W651-Y675 AromaticContact NE1-CD1 3.93Å; W651-Y675 AromaticContact NE1-CD2 3.77Å; W651-Y675 AromaticContact NE1-CG 3.67Å; T671-Y675 WeakPolarHBondContact O-CD2 3.43Å; T671-Y675 PolarHBondContact O-N 3.46Å; H672-Y675 PolarHBondContact O-N 3.04Å; Y675-K677 VanDerWaalsContact C-N 3.34Å; Y675-K677 PolarHBondContact O-N 3Å; Y675-E678 WeakPolarHBondContact O-CB 3.36Å; Y675-E678 PolarHBondContact O-N 3.37Å
676	L	84.9	Confident	86.9	Confident	30 Å²	30	63 Å²	63	16%	0.157	31%	0.31	C	S	.	.	H	α-helix	trans	-66.1	-36.1	175.3	-67.3	-176	0	0	0	112.7	W651 E656 R660 H672 E673 Y674	W651-L676 HydrophobicContact CE3-CD2 4.29Å; W651-L676 HydrophobicContact CZ3-CD2 3.98Å; W651-L676 HydrophobicContact CZ3-CG 4.44Å; E656-L676 HydrophobicContact CG-CD2 3.46Å; E656-L676 VanDerWaalsContact CG-CD2 3.46Å; R660-L676 HydrophobicContact CG-CD2 4.15Å; H672-L676 VanDerWaalsContact O-CG 3.32Å; H672-L676 WeakPolarHBondContact O-CG 3.38Å; H672-L676 PolarHBondContact O-N 3.18Å; E673-L676 PolarHBondContact O-N 3.19Å; Y674-L676 PolarHBondContact O-N 2.95Å
677	K	85.9	Confident	88	Confident	133 Å²	133	59.1 Å²	59.1	58%	0.578	29%	0.292	S	S	*	.	H	α-helix	trans	-82.2	-14.5	-180	-72.1	170.1	-179.1	163.4	0	113	E673 Y674 Y675 K679	E673-K677 WeakPolarHBondContact O-CB 3.38Å; E673-K677 WeakPolarHBondContact O-CG 3.42Å; E673-K677 PolarHBondContact O-N 2.95Å; E673-K677 IonicContact OE2-NZ 2.77Å; E673-K677 PolarHBondContact OE2-NZ 3.48Å; Y674-K677 PolarHBondContact O-N 3.17Å; Y675-K677 VanDerWaalsContact C-N 3.34Å; Y675-K677 PolarHBondContact O-N 3Å; K677-K679 PolarHBondContact O-N 3.09Å
678	E	88.4	Confident	89.2	Confident	40 Å²	40	55.4 Å²	55.4	19%	0.187	26%	0.262	C	S	.	.	P	Polyproline II helix	trans	-54.3	124.2	179.2	-165.7	-178.2	179.1	0	0	110.6	S647 G650 Y674 Y675 K680	S647-E678 VanDerWaalsContact CB-OE1 3.23Å; S647-E678 WeakPolarHBondContact CB-OE1 3.3Å; S647-E678 PolarHBondContact OG-OE1 2.97Å; G650-E678 WeakPolarHBondContact CA-OE2 3.38Å; Y674-E678 PolarHBondContact O-N 3Å; Y674-E678 VanDerWaalsContact O-N 3.11Å; Y675-E678 WeakPolarHBondContact O-CB 3.36Å; Y675-E678 PolarHBondContact O-N 3.37Å; E678-K680 VanDerWaalsContact O-CD 3.26Å; E678-K680 WeakPolarHBondContact O-CD 3.38Å; E678-K680 WeakPolarHBondContact O-CE 3.41Å; E678-K680 PolarHBondContact O-NZ 3.01Å
679	K	91.1	Very high	90.3	Very high	67 Å²	67	53 Å²	53	29%	0.291	26%	0.259	S	S	.	.	P	Polyproline II helix	trans	-74.9	141.2	176.3	-66.7	177.2	-178.7	174.7	0	108.7	D626 E629 K677	D626-K679 VanDerWaalsContact O-CE 3.29Å; D626-K679 WeakPolarHBondContact O-CE 3.46Å; D626-K679 IonicContact OD1-NZ 3.06Å; D626-K679 PolarHBondContact OD1-NZ 3.23Å; E629-K679 HydrophobicContact CB-CB 3.9Å; K677-K679 PolarHBondContact O-N 3.09Å
680	K	94.5	Very high	91.1	Very high	22 Å²	22	53.2 Å²	53.2	10%	0.096	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.5	164	-175.8	-68.7	88.7	-173.2	-166.7	0	111.2	I628 E629 L644 E656 E678 Y724	I628-K680 WeakPolarHBondContact CA-O 3.3Å; E629-K680 PolarHBondContact N-O 3.25Å; L644-K680 HydrophobicContact CD1-CB 3.57Å; L644-K680 HydrophobicContact CD2-CB 3.89Å; L644-K680 HydrophobicContact CD2-CD 4.4Å; L644-K680 HydrophobicContact CD2-CG 4.25Å; L644-K680 HydrophobicContact CG-CB 3.49Å; L644-K680 VanDerWaalsContact CG-CB 3.49Å; L644-K680 HydrophobicContact CG-CG 4.22Å; E656-K680 IonicContact OE2-NZ 3.71Å; E656-K680 PolarHBondContact OE2-NZ 3.49Å; E678-K680 VanDerWaalsContact O-CD 3.26Å; E678-K680 WeakPolarHBondContact O-CD 3.38Å; E678-K680 WeakPolarHBondContact O-CE 3.41Å; E678-K680 PolarHBondContact O-NZ 3.01Å; K680-Y724 HydrophobicContact CD-CE1 4.28Å; K680-Y724 HydrophobicContact CG-CE1 4.36Å; K680-Y724 HydrophobicContact CG-CE2 4.45Å
681	V	95.6	Very high	91.8	Very high	3 Å²	3	48.5 Å²	48.5	2%	0.018	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.3	124	-179.2	177.1	0	0	0	0	109.5	E591 K630 V632 V645	E591-V681 HydrophobicContact CG-CG2 4.22Å; K630-V681 HydrophobicContact CD-CG2 4.46Å; K630-V681 HydrophobicContact CG-CB 4.45Å; K630-V681 HydrophobicContact CG-CG1 3.91Å; K630-V681 HydrophobicContact CG-CG2 3.98Å; V632-V681 HydrophobicContact CG1-CG1 4.47Å; V632-V681 HydrophobicContact CG2-CG1 3.84Å; V645-V681 HydrophobicContact CB-CB 4.47Å; V645-V681 PolarHBondContact N-O 3.01Å; V645-V681 PolarHBondContact O-N 3.18Å
682	L	97	Very high	92.6	Very high	4 Å²	4	49.1 Å²	49.1	2%	0.021	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.4	111.4	175.6	-175.9	67.5	0	0	0	109.6	L619 L624 I628 K630 A631 V632 C642 I684 L715 A718	L619-L682 HydrophobicContact CD1-CD2 4.36Å; L624-L682 HydrophobicContact CD1-CD2 3.57Å; I628-L682 HydrophobicContact CD1-CB 3.96Å; I628-L682 HydrophobicContact CD1-CD2 4.23Å; I628-L682 HydrophobicContact CG2-CB 4.18Å; K630-L682 PolarHBondContact O-N 3.19Å; A631-L682 CarbonylContact C-O 3.6Å; A631-L682 VanDerWaalsContact CA-O 3.23Å; A631-L682 WeakPolarHBondContact CA-O 3.24Å; A631-L682 HydrophobicContact CB-CB 4.49Å; V632-L682 PolarHBondContact N-O 2.97Å; C642-L682 HydrophobicContact CB-CD1 4Å; L682-I684 HydrophobicContact CD2-CG2 4.29Å; L682-I684 HydrophobicContact CG-CG2 4.2Å; L682-L715 HydrophobicContact CD1-CD1 4.29Å; L682-A718 HydrophobicContact CD1-CB 4.4Å
683	E	96.8	Very high	93.3	Very high	15 Å²	15	51.5 Å²	51.5	7%	0.07	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91	126.4	171.7	-71	-159.4	-173.3	0	0	110	V632 S634 R636 C642 A643 V645	V632-E683 HydrophobicContact CG2-CG 3.76Å; V632-E683 WeakPolarHBondContact O-CA 3.14Å; S634-E683 WeakPolarHBondContact CB-OE2 3.22Å; S634-E683 PolarHBondContact OG-OE2 3.25Å; R636-E683 WeakPolarHBondContact CD-OE2 3.27Å; R636-E683 WeakPolarHBondContact CG-OE2 3.43Å; R636-E683 IonicContact CZ-OE1 3.7Å; R636-E683 IonicContact CZ-OE2 3.63Å; R636-E683 VanDerWaalsContact NE-CD 3.28Å; R636-E683 IonicContact NE-OE1 2.72Å; R636-E683 PolarHBondContact NE-OE1 3.28Å; R636-E683 IonicContact NE-OE2 2.73Å; R636-E683 PolarHBondContact NE-OE2 3.13Å; R636-E683 IonicContact NH2-OE1 3.85Å; R636-E683 PolarHBondContact NH2-OE1 3.15Å; R636-E683 IonicContact NH2-OE2 2.76Å; C642-E683 CarbonylContact C-O 3.5Å; C642-E683 WeakPolarHBondContact CA-O 3.49Å; C642-E683 VanDerWaalsContact CB-O 3.22Å; C642-E683 WeakPolarHBondContact CB-O 2.95Å; A643-E683 PolarHBondContact N-O 3.09Å; A643-E683 PolarHBondContact O-N 2.62Å; V645-E683 HydrophobicContact CB-CG 4.42Å; V645-E683 HydrophobicContact CG2-CB 4.44Å; V645-E683 HydrophobicContact CG2-CG 3.78Å
684	I	97.5	Very high	93.9	Very high	2 Å²	2	48.3 Å²	48.3	1%	0.01	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.8	145.3	178.6	61	169.9	0	0	0	111.8	L615 I616 L619 V632 I633 S634 C642 L682 P686 I691	L615-I684 HydrophobicContact CD2-CD1 4.02Å; I616-I684 HydrophobicContact CG1-CD1 4.25Å; L619-I684 HydrophobicContact CD1-CD1 4.27Å; L619-I684 HydrophobicContact CD1-CG2 4.03Å; V632-I684 WeakPolarHBondContact O-CG1 3.49Å; V632-I684 PolarHBondContact O-N 3.22Å; I633-I684 HydrophobicContact CD1-CD1 3.9Å; I633-I684 HydrophobicContact CD1-CG1 3.82Å; S634-I684 WeakPolarHBondContact CB-O 3.46Å; S634-I684 PolarHBondContact N-O 2.9Å; C642-I684 HydrophobicContact CB-CG2 4.19Å; L682-I684 HydrophobicContact CD2-CG2 4.29Å; L682-I684 HydrophobicContact CG-CG2 4.2Å; I684-P686 WeakPolarHBondContact O-CD 3.37Å; I684-I691 HydrophobicContact CB-CD1 4.32Å; I684-I691 HydrophobicContact CB-CG2 4.39Å; I684-I691 HydrophobicContact CD1-CG2 4.25Å; I684-I691 HydrophobicContact CG2-CD1 4.34Å
685	N	97	Very high	94.4	Very high	1 Å²	1	42.6 Å²	42.6	1%	0.005	20%	0.202	C	C	.	.			trans	-96.7	105	177.9	-179.5	1.7	0	0	0	110.6	L637 T638 S640 P641 Y687 H688 I691	L637-N685 HydrophobicContact CB-CB 3.92Å; L637-N685 HydrophobicContact CD1-CB 4.01Å; T638-N685 PolarHBondContact O-ND2 3.46Å; S640-N685 WeakPolarHBondContact O-CB 3.43Å; S640-N685 PolarHBondContact O-ND2 3.38Å; P641-N685 WeakPolarHBondContact O-CB 3.31Å; P641-N685 PolarHBondContact O-N 3.31Å; N685-Y687 PolarHBondContact O-N 3.08Å; N685-Y687 WeakPolarHBondContact OD1-CB 3.35Å; N685-Y687 PolarHBondContact OD1-N 3.26Å; N685-H688 HydrophobicContact CB-CB 4.11Å; N685-H688 WeakPolarHBondContact O-CB 3.36Å; N685-H688 PolarHBondContact O-N 2.8Å; N685-H688 VanDerWaalsContact O-N 3.08Å; N685-I691 WeakPolarHBondContact O-CB 3.46Å; N685-I691 WeakPolarHBondContact O-CG1 3.13Å
686	P	96.4	Very high	95	Very high	3 Å²	3	44.6 Å²	44.6	2%	0.019	21%	0.214	C	C	.	.	T	Hydrogen-bonded Turn	trans	-66.4	-13.6	-177.4	28.8	-35.9	0	0	0	113	L608 Y612 I633 I684 K692	L608-P686 HydrophobicContact CD1-CG 4.09Å; L608-P686 HydrophobicContact CD2-CB 4.14Å; L608-P686 HydrophobicContact CD2-CG 4.15Å; Y612-P686 HydrophobicContact CD2-CB 4.11Å; Y612-P686 HydrophobicContact CE1-CB 4.11Å; Y612-P686 HydrophobicContact CE2-CB 3.55Å; Y612-P686 PolarHBondContact OH-O 3.27Å; I633-P686 HydrophobicContact CD1-CB 4.35Å; I633-P686 HydrophobicContact CD1-CG 4.44Å; I633-P686 HydrophobicContact CG2-CG 3.84Å; I684-P686 WeakPolarHBondContact O-CD 3.37Å; P686-K692 VanDerWaalsContact O-CE 3.28Å; P686-K692 WeakPolarHBondContact O-CE 3.42Å
687	Y	95.4	Very high	95.5	Very high	86 Å²	86	47 Å²	47	34%	0.337	22%	0.221	S	C	.	.	T	Hydrogen-bonded Turn	trans	-87.1	-15	177.9	-58.1	-65.5	0	0	0	113.5	R604 L608 N685	R604-Y687 VanDerWaalsContact CZ-OH 3.24Å; R604-Y687 PolarHBondContact NE-OH 3.23Å; R604-Y687 PolarHBondContact NH2-OH 2.96Å; L608-Y687 HydrophobicContact CD1-CE2 4.42Å; L608-Y687 WeakPolarHBondContact CD1-OH 3.41Å; N685-Y687 PolarHBondContact O-N 3.08Å; N685-Y687 WeakPolarHBondContact OD1-CB 3.35Å; N685-Y687 PolarHBondContact OD1-N 3.26Å
688	H	97.7	Very high	96	Very high	39 Å²	39	40.8 Å²	40.8	18%	0.181	19%	0.194	C	C	.	.	S	Bend	trans	-75.3	134.2	-176.2	-165.5	-86.4	0	0	0	111.4	K639 P641 N685 V690 I691 K692	K639-H688 PolarHBondContact O-CD2 3.05Å; K639-H688 PolarHBondContact O-NE2 2.91Å; P641-H688 HydrophobicContact CB-CB 4.4Å; N685-H688 HydrophobicContact CB-CB 4.11Å; N685-H688 WeakPolarHBondContact O-CB 3.36Å; N685-H688 PolarHBondContact O-N 2.8Å; N685-H688 VanDerWaalsContact O-N 3.08Å; H688-V690 VanDerWaalsContact C-N 3.31Å; H688-V690 WeakPolarHBondContact ND1-CB 3.22Å; H688-V690 PolarHBondContact ND1-N 2.6Å; H688-V690 PolarHBondContact O-N 2.82Å; H688-I691 HydrophobicContact CB-CB 4.41Å; H688-I691 HydrophobicContact CB-CG1 4.08Å; H688-I691 PolarHBondContact O-N 3.19Å; H688-K692 PolarHBondContact O-N 3.34Å; H688-K692 VanDerWaalsContact O-N 3.13Å
689	P	97.4	Very high	96.3	Very high	96 Å²	96	42.5 Å²	42.5	62%	0.623	20%	0.204	S	C	*	.	H	α-helix	trans	-53.3	-44.4	-178.3	-28.1	35.1	0	0	0	113.7	I691 K692 E693	P689-I691 VanDerWaalsContact C-N 3.32Å; P689-I691 PolarHBondContact O-N 3.49Å; P689-K692 PolarHBondContact O-N 3.32Å; P689-E693 PolarHBondContact O-N 3.05Å
690	V	96.5	Very high	96.5	Very high	59 Å²	59	44.4 Å²	44.4	36%	0.358	23%	0.226	S	C	.	.	H	α-helix	trans	-60.5	-38.5	178.5	179.5	0	0	0	0	112.4	H688 L694 T710 L714	H688-V690 VanDerWaalsContact C-N 3.31Å; H688-V690 WeakPolarHBondContact ND1-CB 3.22Å; H688-V690 PolarHBondContact ND1-N 2.6Å; H688-V690 PolarHBondContact O-N 2.82Å; V690-L694 VanDerWaalsContact O-CB 3.23Å; V690-L694 WeakPolarHBondContact O-CB 3.37Å; V690-L694 PolarHBondContact O-N 3.22Å; V690-T710 HydrophobicContact CG1-CG2 4.17Å; V690-L714 HydrophobicContact CG1-CD1 4.1Å; V690-L714 HydrophobicContact CG1-CD2 4.25Å
691	I	97.8	Very high	96.5	Very high	1 Å²	1	47.5 Å²	47.5	1%	0.005	24%	0.244	C	C	.	.	H	α-helix	trans	-73.5	-33.2	-179.7	-59.9	-60.9	0	0	0	111	Y612 L615 P641 I684 N685 H688 P689 K695 L714	Y612-I691 HydrophobicContact CE1-CG2 3.99Å; L615-I691 HydrophobicContact CD2-CG2 4.15Å; P641-I691 HydrophobicContact CB-CD1 4.29Å; P641-I691 HydrophobicContact CB-CG1 4.18Å; P641-I691 WeakPolarHBondContact O-CG1 3.43Å; I684-I691 HydrophobicContact CB-CD1 4.32Å; I684-I691 HydrophobicContact CB-CG2 4.39Å; I684-I691 HydrophobicContact CD1-CG2 4.25Å; I684-I691 HydrophobicContact CG2-CD1 4.34Å; N685-I691 WeakPolarHBondContact O-CB 3.46Å; N685-I691 WeakPolarHBondContact O-CG1 3.13Å; H688-I691 HydrophobicContact CB-CB 4.41Å; H688-I691 HydrophobicContact CB-CG1 4.08Å; H688-I691 PolarHBondContact O-N 3.19Å; P689-I691 VanDerWaalsContact C-N 3.32Å; P689-I691 PolarHBondContact O-N 3.49Å; I691-K695 PolarHBondContact O-N 2.81Å; I691-L714 HydrophobicContact CD1-CD1 4.04Å
692	K	97.4	Very high	96.3	Very high	97 Å²	97	53.1 Å²	53.1	42%	0.422	27%	0.268	S	S	.	.	H	α-helix	trans	-67.4	-45.7	173.7	-67.2	179.7	-178.9	178.1	0	112	P686 H688 P689 K695 Q696	P686-K692 VanDerWaalsContact O-CE 3.28Å; P686-K692 WeakPolarHBondContact O-CE 3.42Å; H688-K692 PolarHBondContact O-N 3.34Å; H688-K692 VanDerWaalsContact O-N 3.13Å; P689-K692 PolarHBondContact O-N 3.32Å; K692-K695 WeakPolarHBondContact O-CB 3.36Å; K692-K695 PolarHBondContact O-N 3.22Å; K692-Q696 WeakPolarHBondContact O-CG 3.44Å; K692-Q696 PolarHBondContact O-N 3.13Å; K692-Q696 VanDerWaalsContact O-N 3.1Å
693	E	97.1	Very high	96.1	Very high	84 Å²	84	60.1 Å²	60.1	39%	0.393	30%	0.3	S	S	.	.	H	α-helix	trans	-62.6	-44.7	175.8	178.4	60.9	-159.7	0	0	111	P689 K695 Q696 R697	P689-E693 PolarHBondContact O-N 3.05Å; E693-K695 VanDerWaalsContact C-N 3.29Å; E693-K695 PolarHBondContact O-N 3.35Å; E693-Q696 PolarHBondContact O-N 3.27Å; E693-Q696 VanDerWaalsContact O-N 3.13Å; E693-R697 PolarHBondContact O-N 2.95Å; E693-R697 IonicContact OE1-CZ 2.64Å; E693-R697 IonicContact OE1-NE 2.65Å; E693-R697 PolarHBondContact OE1-NE 3.46Å; E693-R697 IonicContact OE1-NH2 3.8Å
694	L	96.8	Very high	95.9	Very high	5 Å²	5	60.8 Å²	60.8	3%	0.026	30%	0.304	C	S	.	.	H	α-helix	trans	-59.1	-41	176.8	-174.3	65.2	0	0	0	111.8	L615 W618 L619 V690 R697 V698 A707 T710 L714	L615-L694 HydrophobicContact CD1-CD2 4.08Å; L615-L694 HydrophobicContact CD1-CG 3.91Å; W618-L694 HydrophobicContact CH2-CD1 4.45Å; W618-L694 HydrophobicContact CZ3-CD1 4.34Å; L619-L694 HydrophobicContact CD2-CD2 4.48Å; V690-L694 VanDerWaalsContact O-CB 3.23Å; V690-L694 WeakPolarHBondContact O-CB 3.37Å; V690-L694 PolarHBondContact O-N 3.22Å; L694-R697 PolarHBondContact O-N 2.95Å; L694-V698 HydrophobicContact CD1-CG2 4.49Å; L694-V698 VanDerWaalsContact O-CG2 3.29Å; L694-V698 WeakPolarHBondContact O-CG2 3.25Å; L694-V698 PolarHBondContact O-N 2.91Å; L694-A707 HydrophobicContact CD1-CB 3.8Å; L694-T710 HydrophobicContact CD1-CG2 4.48Å; L694-L714 HydrophobicContact CD2-CD1 4.07Å
695	K	97.1	Very high	95.6	Very high	33 Å²	33	69.3 Å²	69.3	14%	0.143	34%	0.341	C	S	.	.	H	α-helix	trans	-58.2	-51.6	173.1	-171.8	-166.3	-177.5	-64.3	0	111.2	D611 Y612 L615 I691 K692 E693 R697 V698 D699	D611-K695 WeakPolarHBondContact O-CE 3.32Å; D611-K695 PolarHBondContact O-NZ 2.93Å; D611-K695 IonicContact OD1-NZ 3.98Å; Y612-K695 HydrophobicContact CD1-CD 3.99Å; Y612-K695 HydrophobicContact CD1-CG 4.38Å; Y612-K695 HydrophobicContact CE1-CB 4.2Å; Y612-K695 HydrophobicContact CE1-CD 3.77Å; Y612-K695 HydrophobicContact CE1-CG 4.34Å; Y612-K695 HydrophobicContact CE2-CD 4.46Å; Y612-K695 HydrophobicContact CG-CD 4.44Å; L615-K695 HydrophobicContact CD2-CB 4.12Å; I691-K695 PolarHBondContact O-N 2.81Å; K692-K695 WeakPolarHBondContact O-CB 3.36Å; K692-K695 PolarHBondContact O-N 3.22Å; E693-K695 VanDerWaalsContact C-N 3.29Å; E693-K695 PolarHBondContact O-N 3.35Å; K695-R697 VanDerWaalsContact C-N 3.29Å; K695-R697 PolarHBondContact O-N 2.7Å; K695-V698 PolarHBondContact O-N 3.44Å; K695-D699 IonicContact NZ-OD1 2.88Å; K695-D699 IonicContact NZ-OD2 3.91Å; K695-D699 PolarHBondContact NZ-OD2 3.26Å; K695-D699 WeakPolarHBondContact O-CB 3.4Å; K695-D699 PolarHBondContact O-N 3.1Å
696	Q	96.7	Very high	95.3	Very high	117 Å²	117	73.3 Å²	73.3	55%	0.547	36%	0.362	S	S	.	.	H	α-helix	trans	-60	-39.6	-178	-71.3	177.5	-3.7	0	0	112.7	K692 E693 S700	K692-Q696 WeakPolarHBondContact O-CG 3.44Å; K692-Q696 PolarHBondContact O-N 3.13Å; K692-Q696 VanDerWaalsContact O-N 3.1Å; E693-Q696 PolarHBondContact O-N 3.27Å; E693-Q696 VanDerWaalsContact O-N 3.13Å; Q696-S700 WeakPolarHBondContact O-CB 3.47Å; Q696-S700 PolarHBondContact O-N 2.92Å; Q696-S700 VanDerWaalsContact O-N 3.1Å; Q696-S700 PolarHBondContact O-OG 3.08Å
697	R	96.3	Very high	95.1	Very high	81 Å²	81	73.2 Å²	73.2	31%	0.306	36%	0.361	S	S	.	.	H	α-helix	trans	-64.5	-49.1	176	-73.9	177.1	171.1	-91.9	-0.4	112.2	E693 L694 K695 D699 S700 D701 D704 A707	E693-R697 PolarHBondContact O-N 2.95Å; E693-R697 IonicContact OE1-CZ 2.64Å; E693-R697 IonicContact OE1-NE 2.65Å; E693-R697 PolarHBondContact OE1-NE 3.46Å; E693-R697 IonicContact OE1-NH2 3.8Å; L694-R697 PolarHBondContact O-N 2.95Å; K695-R697 VanDerWaalsContact C-N 3.29Å; K695-R697 PolarHBondContact O-N 2.7Å; R697-D699 VanDerWaalsContact C-N 3.32Å; R697-D699 PolarHBondContact O-N 3.43Å; R697-S700 PolarHBondContact O-N 3.18Å; R697-S700 VanDerWaalsContact O-N 3.09Å; R697-D701 PolarHBondContact O-N 3.29Å; R697-D704 WeakPolarHBondContact CD-OD2 3.46Å; R697-D704 IonicContact CZ-OD2 2.9Å; R697-D704 IonicContact NH1-OD1 3.86Å; R697-D704 IonicContact NH1-OD2 3.42Å; R697-D704 PolarHBondContact NH1-OD2 2.82Å; R697-A707 HydrophobicContact CB-CB 4.15Å
698	V	95.5	Very high	95	Very high	1 Å²	1	71.9 Å²	71.9	1%	0.006	36%	0.36	C	S	.	.	H	α-helix	trans	-65.2	-36.3	178.9	174.1	0	0	0	0	111.9	L615 W618 L694 K695 S700 K702 A707	L615-V698 HydrophobicContact CD1-CB 4.37Å; L615-V698 HydrophobicContact CD1-CG2 3.98Å; W618-V698 HydrophobicContact CB-CG1 3.81Å; W618-V698 HydrophobicContact CD2-CB 4.45Å; W618-V698 HydrophobicContact CD2-CG1 3.84Å; W618-V698 HydrophobicContact CD2-CG2 3.65Å; W618-V698 HydrophobicContact CE3-CG1 4.4Å; W618-V698 HydrophobicContact CE3-CG2 3.65Å; W618-V698 HydrophobicContact CG-CG1 3.55Å; W618-V698 HydrophobicContact CG-CG2 4.28Å; W618-V698 HydrophobicContact CH2-CG2 3.91Å; W618-V698 HydrophobicContact CZ2-CG2 3.92Å; W618-V698 HydrophobicContact CZ3-CG2 3.78Å; L694-V698 HydrophobicContact CD1-CG2 4.49Å; L694-V698 VanDerWaalsContact O-CG2 3.29Å; L694-V698 WeakPolarHBondContact O-CG2 3.25Å; L694-V698 PolarHBondContact O-N 2.91Å; K695-V698 PolarHBondContact O-N 3.44Å; V698-S700 PolarHBondContact O-N 3.13Å; V698-K702 HydrophobicContact CG1-CG 4.38Å; V698-K702 WeakPolarHBondContact O-CG 3.46Å; V698-A707 HydrophobicContact CG2-CB 4.19Å
699	D	94.2	Very high	94.6	Very high	77 Å²	77	72.4 Å²	72.4	41%	0.412	37%	0.368	S	S	.	.	H	α-helix	trans	-65	-31.1	174.5	-69.2	-13.9	0	0	0	111.7	K695 R697	K695-D699 IonicContact NZ-OD1 2.88Å; K695-D699 IonicContact NZ-OD2 3.91Å; K695-D699 PolarHBondContact NZ-OD2 3.26Å; K695-D699 WeakPolarHBondContact O-CB 3.4Å; K695-D699 PolarHBondContact O-N 3.1Å; R697-D699 VanDerWaalsContact C-N 3.32Å; R697-D699 PolarHBondContact O-N 3.43Å
700	S	95.2	Very high	94.4	Very high	107 Å²	107	69.8 Å²	69.8	75%	0.748	35%	0.35	S	S	*	.	H	α-helix	trans	-84	-46.2	179.9	-57	0	0	0	0	112.6	Q696 R697 V698	Q696-S700 WeakPolarHBondContact O-CB 3.47Å; Q696-S700 PolarHBondContact O-N 2.92Å; Q696-S700 VanDerWaalsContact O-N 3.1Å; Q696-S700 PolarHBondContact O-OG 3.08Å; R697-S700 PolarHBondContact O-N 3.18Å; R697-S700 VanDerWaalsContact O-N 3.09Å; V698-S700 PolarHBondContact O-N 3.13Å
701	D	94.6	Very high	94.4	Very high	87 Å²	87	67 Å²	67	47%	0.465	33%	0.334	S	S	.	.			trans	-148.9	112.9	178.8	-178.2	8.5	0	0	0	110.3	R697 E703 D704	R697-D701 PolarHBondContact O-N 3.29Å; D701-E703 PolarHBondContact O-N 3.34Å; D701-E703 PolarHBondContact OD1-N 2.84Å; D701-D704 HydrophobicContact CB-CB 4.36Å; D701-D704 WeakPolarHBondContact O-CB 3.48Å; D701-D704 PolarHBondContact O-N 3.48Å
702	K	92.7	Very high	94.1	Very high	120 Å²	120	71.5 Å²	71.5	52%	0.522	35%	0.35	S	S	.	.	T	Hydrogen-bonded Turn	trans	-68.9	-16.9	179	-66.8	-175.6	178.1	-176.9	0	113	W618 V698	W618-K702 PolarHBondContact NE1-O 3.33Å; V698-K702 HydrophobicContact CG1-CG 4.38Å; V698-K702 WeakPolarHBondContact O-CG 3.46Å
703	E	92.8	Very high	93.9	Very high	152 Å²	152	69 Å²	69	71%	0.71	34%	0.342	S	S	*	.	T	Hydrogen-bonded Turn	trans	-102.5	12.7	179	-59	-62.2	141.2	0	0	112.4	D701 K705	D701-E703 PolarHBondContact O-N 3.34Å; D701-E703 PolarHBondContact OD1-N 2.84Å; E703-K705 PolarHBondContact O-N 2.87Å
704	D	92.2	Very high	93.8	Very high	29 Å²	29	66.2 Å²	66.2	16%	0.155	33%	0.329	C	S	.	.			trans	-56.6	112.3	176.6	179.6	-4.3	0	0	0	110.3	R697 D701 L706 A707 L708	R697-D704 WeakPolarHBondContact CD-OD2 3.46Å; R697-D704 IonicContact CZ-OD2 2.9Å; R697-D704 IonicContact NH1-OD1 3.86Å; R697-D704 IonicContact NH1-OD2 3.42Å; R697-D704 PolarHBondContact NH1-OD2 2.82Å; D701-D704 HydrophobicContact CB-CB 4.36Å; D701-D704 WeakPolarHBondContact O-CB 3.48Å; D701-D704 PolarHBondContact O-N 3.48Å; D704-L706 PolarHBondContact O-N 3.19Å; D704-L706 WeakPolarHBondContact OD1-CB 3.26Å; D704-L706 PolarHBondContact OD1-N 2.86Å; D704-A707 HydrophobicContact CB-CB 3.8Å; D704-A707 WeakPolarHBondContact O-CB 3.33Å; D704-A707 PolarHBondContact O-N 2.85Å; D704-A707 VanDerWaalsContact O-N 3.09Å; D704-A707 PolarHBondContact OD1-N 3.15Å; D704-L708 PolarHBondContact O-N 2.89Å
705	K	90.3	Very high	93.7	Very high	180 Å²	180	66.4 Å²	66.4	78%	0.783	33%	0.33	S	S	*	.	H	α-helix	trans	-59	-35.1	-179.8	-67.2	-174.2	179.5	-178.4	0	112.5	E703 S709	E703-K705 PolarHBondContact O-N 2.87Å; K705-S709 PolarHBondContact O-N 3.26Å; K705-S709 PolarHBondContact O-OG 2.97Å
706	L	90.2	Very high	93.6	Very high	86 Å²	86	65.5 Å²	65.5	45%	0.45	33%	0.327	S	S	.	.	H	α-helix	trans	-73.2	-36.6	177.7	-179.6	56.5	0	0	0	111	D704 S709 T710	D704-L706 PolarHBondContact O-N 3.19Å; D704-L706 WeakPolarHBondContact OD1-CB 3.26Å; D704-L706 PolarHBondContact OD1-N 2.86Å; L706-S709 WeakPolarHBondContact CA-OG 3.48Å; L706-S709 PolarHBondContact O-OG 2.96Å; L706-T710 VanDerWaalsContact O-CB 3.23Å; L706-T710 WeakPolarHBondContact O-CB 3.41Å; L706-T710 PolarHBondContact O-N 2.79Å; L706-T710 PolarHBondContact O-OG1 3.08Å
707	A	93.9	Very high	93.4	Very high	0 Å²	0	61.9 Å²	61.9	0%	0	32%	0.317	C	S	.	.	H	α-helix	trans	-62.6	-45.4	172.3	0	0	0	0	0	110.9	W618 L694 R697 V698 D704 T710 A711	W618-A707 HydrophobicContact CH2-CB 4.04Å; W618-A707 HydrophobicContact CZ2-CB 4.23Å; L694-A707 HydrophobicContact CD1-CB 3.8Å; R697-A707 HydrophobicContact CB-CB 4.15Å; V698-A707 HydrophobicContact CG2-CB 4.19Å; D704-A707 HydrophobicContact CB-CB 3.8Å; D704-A707 WeakPolarHBondContact O-CB 3.33Å; D704-A707 PolarHBondContact O-N 2.85Å; D704-A707 VanDerWaalsContact O-N 3.09Å; D704-A707 PolarHBondContact OD1-N 3.15Å; A707-T710 PolarHBondContact O-N 3.2Å; A707-A711 WeakPolarHBondContact O-CB 3.35Å; A707-A711 PolarHBondContact O-N 3.44Å
708	L	93.2	Very high	93.4	Very high	58 Å²	58	58.2 Å²	58.2	30%	0.304	30%	0.304	S	S	.	.	H	α-helix	trans	-60.3	-48.1	177.6	-169.8	93.7	0	0	0	112.2	A623 D704 A711 R712	A623-L708 HydrophobicContact CB-CD1 4.2Å; D704-L708 PolarHBondContact O-N 2.89Å; L708-A711 PolarHBondContact O-N 3.22Å; L708-R712 WeakPolarHBondContact O-CG 3.42Å; L708-R712 PolarHBondContact O-N 3.12Å
709	S	89.5	Confident	93.3	Very high	51 Å²	51	59 Å²	59	36%	0.357	31%	0.309	S	S	.	.	H	α-helix	trans	-65.1	-41.1	178.7	66	0	0	0	0	111.5	K705 L706 A711 R712 L713	K705-S709 PolarHBondContact O-N 3.26Å; K705-S709 PolarHBondContact O-OG 2.97Å; L706-S709 WeakPolarHBondContact CA-OG 3.48Å; L706-S709 PolarHBondContact O-OG 2.96Å; S709-A711 PolarHBondContact O-N 2.84Å; S709-R712 PolarHBondContact O-N 3.15Å; S709-L713 WeakPolarHBondContact O-CB 3.34Å; S709-L713 PolarHBondContact O-N 3.39Å
710	T	92.7	Very high	93.3	Very high	40 Å²	40	59.4 Å²	59.4	25%	0.245	31%	0.31	C	S	.	.	H	α-helix	trans	-61.3	-44.2	175.7	-59.4	0	0	0	0	111.4	V690 L694 L706 A707 R712 L713 L714	V690-T710 HydrophobicContact CG1-CG2 4.17Å; L694-T710 HydrophobicContact CD1-CG2 4.48Å; L706-T710 VanDerWaalsContact O-CB 3.23Å; L706-T710 WeakPolarHBondContact O-CB 3.41Å; L706-T710 PolarHBondContact O-N 2.79Å; L706-T710 PolarHBondContact O-OG1 3.08Å; A707-T710 PolarHBondContact O-N 3.2Å; T710-R712 VanDerWaalsContact C-N 3.33Å; T710-R712 PolarHBondContact O-N 3.26Å; T710-L713 PolarHBondContact O-N 3.24Å; T710-L714 HydrophobicContact CG2-CD1 4.06Å; T710-L714 HydrophobicContact CG2-CG 4.29Å; T710-L714 WeakPolarHBondContact O-CB 3.48Å; T710-L714 VanDerWaalsContact O-CG 3.27Å; T710-L714 WeakPolarHBondContact O-CG 3.49Å; T710-L714 PolarHBondContact O-N 3.34Å
711	A	95.2	Very high	93.1	Very high	1 Å²	1	59.4 Å²	59.4	1%	0.008	29%	0.294	C	S	.	.	H	α-helix	trans	-61.2	-41.4	178.3	0	0	0	0	0	112.2	W618 L619 A623 L624 A707 L708 S709 L715	W618-A711 HydrophobicContact CH2-CB 3.88Å; W618-A711 HydrophobicContact CZ3-CB 3.77Å; L619-A711 HydrophobicContact CD2-CB 3.94Å; A623-A711 HydrophobicContact CB-CB 3.91Å; L624-A711 HydrophobicContact CD2-CB 4.46Å; A707-A711 WeakPolarHBondContact O-CB 3.35Å; A707-A711 PolarHBondContact O-N 3.44Å; L708-A711 PolarHBondContact O-N 3.22Å; S709-A711 PolarHBondContact O-N 2.84Å; A711-L715 PolarHBondContact O-N 3.47Å
712	R	93.4	Very high	93.1	Very high	95 Å²	95	55.6 Å²	55.6	36%	0.358	27%	0.274	S	S	.	.	H	α-helix	trans	-65.5	-45.8	176	-69.6	176.2	-179.6	-179.9	2.2	111.7	L624 L708 S709 T710 L714 L715 D716	L624-R712 HydrophobicContact CD2-CG 4.16Å; L708-R712 WeakPolarHBondContact O-CG 3.42Å; L708-R712 PolarHBondContact O-N 3.12Å; S709-R712 PolarHBondContact O-N 3.15Å; T710-R712 VanDerWaalsContact C-N 3.33Å; T710-R712 PolarHBondContact O-N 3.26Å; R712-L714 VanDerWaalsContact C-N 3.33Å; R712-L714 PolarHBondContact O-N 3.19Å; R712-L715 WeakPolarHBondContact O-CB 3.32Å; R712-L715 PolarHBondContact O-N 3.3Å; R712-L715 VanDerWaalsContact O-N 3.13Å; R712-D716 PolarHBondContact O-N 3.25Å
713	L	92.7	Very high	93	Very high	46 Å²	46	51 Å²	51	24%	0.241	26%	0.26	C	S	.	.	H	α-helix	trans	-62.8	-40.5	177.6	-173.3	66.5	0	0	0	112	S709 T710 L715 D716 A717 F732 M739	S709-L713 WeakPolarHBondContact O-CB 3.34Å; S709-L713 PolarHBondContact O-N 3.39Å; T710-L713 PolarHBondContact O-N 3.24Å; L713-L715 VanDerWaalsContact C-N 3.32Å; L713-L715 PolarHBondContact O-N 3.26Å; L713-D716 PolarHBondContact O-N 2.98Å; L713-A717 WeakPolarHBondContact O-CB 3.27Å; L713-A717 PolarHBondContact O-N 2.84Å; L713-F732 HydrophobicContact CD1-CD2 4.31Å; L713-F732 HydrophobicContact CD1-CE2 3.82Å; L713-M739 HydrophobicContact CD2-SD 3.79Å
714	L	94.8	Very high	93	Very high	25 Å²	25	44.2 Å²	44.2	13%	0.131	23%	0.229	C	C	.	.	H	α-helix	trans	-60.3	-41.3	173.5	-78.2	174.8	0	0	0	111.7	P641 C642 V690 I691 L694 T710 R712 A718	P641-L714 HydrophobicContact CB-CD2 3.94Å; P641-L714 HydrophobicContact CG-CD2 3.89Å; C642-L714 PolarHBondContact SG-O 2.94Å; V690-L714 HydrophobicContact CG1-CD1 4.1Å; V690-L714 HydrophobicContact CG1-CD2 4.25Å; I691-L714 HydrophobicContact CD1-CD1 4.04Å; L694-L714 HydrophobicContact CD2-CD1 4.07Å; T710-L714 HydrophobicContact CG2-CD1 4.06Å; T710-L714 HydrophobicContact CG2-CG 4.29Å; T710-L714 WeakPolarHBondContact O-CB 3.48Å; T710-L714 VanDerWaalsContact O-CG 3.27Å; T710-L714 WeakPolarHBondContact O-CG 3.49Å; T710-L714 PolarHBondContact O-N 3.34Å; R712-L714 VanDerWaalsContact C-N 3.33Å; R712-L714 PolarHBondContact O-N 3.19Å; L714-A718 WeakPolarHBondContact O-CB 3.45Å; L714-A718 PolarHBondContact O-N 3.16Å
715	L	95.4	Very high	92.8	Very high	9 Å²	9	48.1 Å²	48.1	5%	0.047	25%	0.249	C	C	.	.	H	α-helix	trans	-64.3	-45.9	176.3	179.4	65.3	0	0	0	111.7	L624 K627 I628 L644 L682 A711 R712 L713 A718 T719	L624-L715 HydrophobicContact CB-CD2 4.48Å; L624-L715 HydrophobicContact CD1-CB 4.05Å; L624-L715 HydrophobicContact CD1-CD1 4.44Å; L624-L715 HydrophobicContact CD1-CD2 4.22Å; L624-L715 HydrophobicContact CD1-CG 4.46Å; L624-L715 HydrophobicContact CD2-CB 4.01Å; L624-L715 HydrophobicContact CD2-CD2 3.82Å; L624-L715 HydrophobicContact CG-CD2 4.4Å; K627-L715 HydrophobicContact CB-CD2 3.62Å; K627-L715 HydrophobicContact CD-CD2 3.76Å; K627-L715 HydrophobicContact CG-CD2 4.33Å; I628-L715 HydrophobicContact CG2-CD1 3.68Å; I628-L715 HydrophobicContact CG2-CD2 4.27Å; L644-L715 HydrophobicContact CD1-CD1 4.02Å; L682-L715 HydrophobicContact CD1-CD1 4.29Å; A711-L715 PolarHBondContact O-N 3.47Å; R712-L715 WeakPolarHBondContact O-CB 3.32Å; R712-L715 PolarHBondContact O-N 3.3Å; R712-L715 VanDerWaalsContact O-N 3.13Å; L713-L715 VanDerWaalsContact C-N 3.32Å; L713-L715 PolarHBondContact O-N 3.26Å; L715-A718 PolarHBondContact O-N 2.93Å; L715-T719 WeakPolarHBondContact O-CB 3.38Å; L715-T719 PolarHBondContact O-N 2.99Å; L715-T719 PolarHBondContact O-OG1 3.38Å
716	D	94.2	Very high	92.8	Very high	14 Å²	14	41.3 Å²	41.3	8%	0.075	22%	0.221	C	C	.	.	H	α-helix	trans	-64.6	-45.4	-179.7	-62.5	-31.4	0	0	0	111.1	R712 L713 A718 T719 L720 L726 F732 R735	R712-D716 PolarHBondContact O-N 3.25Å; L713-D716 PolarHBondContact O-N 2.98Å; D716-A718 VanDerWaalsContact C-N 3.33Å; D716-A718 PolarHBondContact O-N 3.1Å; D716-T719 WeakPolarHBondContact O-CB 3.48Å; D716-T719 PolarHBondContact O-N 2.96Å; D716-T719 VanDerWaalsContact O-N 3.15Å; D716-L720 PolarHBondContact O-N 3.35Å; D716-L726 HydrophobicContact CB-CD2 3.92Å; D716-F732 HydrophobicContact CB-CD2 3.44Å; D716-F732 VanDerWaalsContact CB-CD2 3.44Å; D716-F732 HydrophobicContact CB-CE2 3.68Å; D716-F732 HydrophobicContact CB-CG 4.34Å; D716-R735 IonicContact OD1-NH2 2.7Å; D716-R735 IonicContact OD2-CZ 3.52Å; D716-R735 VanDerWaalsContact OD2-CZ 3.3Å; D716-R735 IonicContact OD2-NE 3.98Å; D716-R735 PolarHBondContact OD2-NE 3.43Å; D716-R735 IonicContact OD2-NH2 3.65Å; D716-R735 PolarHBondContact OD2-NH2 3.27Å
717	A	93.1	Very high	92.5	Very high	41 Å²	41	46 Å²	46	34%	0.339	23%	0.233	S	C	.	.	H	α-helix	trans	-61.6	-40.9	175.1	0	0	0	0	0	112	L713 T719 R721	L713-A717 WeakPolarHBondContact O-CB 3.27Å; L713-A717 PolarHBondContact O-N 2.84Å; A717-T719 VanDerWaalsContact C-N 3.35Å; A717-R721 WeakPolarHBondContact O-CB 3.16Å; A717-R721 WeakPolarHBondContact O-CG 3.48Å; A717-R721 PolarHBondContact O-N 3.32Å
718	A	95.4	Very high	92.3	Very high	3 Å²	3	50 Å²	50	3%	0.025	25%	0.254	C	S	.	.	H	α-helix	trans	-65.6	-37.7	174.6	0	0	0	0	0	112.1	L682 L714 L715 D716 R721 S722	L682-A718 HydrophobicContact CD1-CB 4.4Å; L714-A718 WeakPolarHBondContact O-CB 3.45Å; L714-A718 PolarHBondContact O-N 3.16Å; L715-A718 PolarHBondContact O-N 2.93Å; D716-A718 VanDerWaalsContact C-N 3.33Å; D716-A718 PolarHBondContact O-N 3.1Å; A718-R721 PolarHBondContact O-N 3.5Å; A718-S722 WeakPolarHBondContact O-CB 3.49Å; A718-S722 PolarHBondContact O-N 2.91Å; A718-S722 PolarHBondContact O-OG 3.29Å
719	T	94.3	Very high	92.2	Very high	17 Å²	17	51.4 Å²	51.4	10%	0.104	27%	0.269	C	S	.	.	H	α-helix	trans	-59.8	-52	177.9	-60.1	0	0	0	0	110	L644 L715 D716 A717 S722 G723 Y724 L726	L644-T719 HydrophobicContact CD2-CG2 4.48Å; L715-T719 WeakPolarHBondContact O-CB 3.38Å; L715-T719 PolarHBondContact O-N 2.99Å; L715-T719 PolarHBondContact O-OG1 3.38Å; D716-T719 WeakPolarHBondContact O-CB 3.48Å; D716-T719 PolarHBondContact O-N 2.96Å; D716-T719 VanDerWaalsContact O-N 3.15Å; A717-T719 VanDerWaalsContact C-N 3.35Å; T719-S722 PolarHBondContact O-N 3.3Å; T719-G723 PolarHBondContact O-N 3.01Å; T719-Y724 PolarHBondContact O-N 3.46Å; T719-L726 HydrophobicContact CG2-CD2 4.02Å
720	L	92.8	Very high	92.3	Very high	86 Å²	86	51.6 Å²	51.6	45%	0.45	27%	0.273	S	S	.	.	H	α-helix	trans	-60.5	-50.8	176.7	-70.4	175.2	0	0	0	112.1	D716 S722 G723 L726 F732	D716-L720 PolarHBondContact O-N 3.35Å; L720-S722 PolarHBondContact O-N 3.04Å; L720-S722 VanDerWaalsContact O-N 3.12Å; L720-G723 PolarHBondContact O-N 3.45Å; L720-L726 HydrophobicContact CD1-CD1 3.97Å; L720-L726 HydrophobicContact CD1-CG 4.48Å; L720-L726 HydrophobicContact CD2-CD1 3.92Å; L720-L726 HydrophobicContact CD2-CD2 4.48Å; L720-L726 HydrophobicContact CD2-CG 3.75Å; L720-L726 HydrophobicContact CG-CD1 3.99Å; L720-L726 HydrophobicContact CG-CD2 4.19Å; L720-L726 HydrophobicContact CG-CG 3.94Å; L720-F732 HydrophobicContact CD1-CE1 4.04Å; L720-F732 HydrophobicContact CD1-CZ 4.1Å
721	R	92	Very high	92.2	Very high	107 Å²	107	52.6 Å²	52.6	40%	0.404	28%	0.277	S	S	.	.	H	α-helix	trans	-66.4	-14.4	-179	-71.6	-168.7	69	-161.2	-6.5	114.4	P550 E553 S640 A717 A718	P550-R721 HydrophobicContact CG-CB 4.43Å; E553-R721 IonicContact OE1-NH2 2.9Å; S640-R721 VanDerWaalsContact OG-CZ 3.28Å; S640-R721 PolarHBondContact OG-NH1 2.83Å; S640-R721 PolarHBondContact OG-NH2 3.09Å; A717-R721 WeakPolarHBondContact O-CB 3.16Å; A717-R721 WeakPolarHBondContact O-CG 3.48Å; A717-R721 PolarHBondContact O-N 3.32Å; A718-R721 PolarHBondContact O-N 3.5Å
722	S	93.7	Very high	91.9	Very high	8 Å²	8	54.2 Å²	54.2	6%	0.056	28%	0.284	C	S	.	.	T	Hydrogen-bonded Turn	trans	-98.5	5.7	177.8	-57.4	0	0	0	0	112.7	L644 A718 T719 L720	L644-S722 PolarHBondContact N-OG 3.33Å; L644-S722 WeakPolarHBondContact O-CB 3.4Å; L644-S722 PolarHBondContact O-OG 2.79Å; A718-S722 WeakPolarHBondContact O-CB 3.49Å; A718-S722 PolarHBondContact O-N 2.91Å; A718-S722 PolarHBondContact O-OG 3.29Å; T719-S722 PolarHBondContact O-N 3.3Å; L720-S722 PolarHBondContact O-N 3.04Å; L720-S722 VanDerWaalsContact O-N 3.12Å
723	G	91.4	Very high	91.8	Very high	22 Å²	22	52.1 Å²	52.1	23%	0.227	29%	0.287	C	S	.	.	T	Hydrogen-bonded Turn	trans	80.3	14.4	176.9	0	0	0	0	0	114.6	G653 T719 L720	G653-G723 CarbonylContact C-O 3.5Å; G653-G723 WeakPolarHBondContact CA-O 3.39Å; T719-G723 PolarHBondContact O-N 3.01Å; L720-G723 PolarHBondContact O-N 3.45Å
724	Y	92.7	Very high	91.7	Very high	11 Å²	11	54.8 Å²	54.8	4%	0.043	30%	0.302	C	S	.	.	P	Polyproline II helix	trans	-93.2	151.3	176.1	-67.3	-80.2	0	0	0	111.2	L644 A646 W651 G653 E656 K680 T719	L644-Y724 HydrophobicContact CD2-CD2 3.91Å; L644-Y724 HydrophobicContact CD2-CE2 4.23Å; L644-Y724 HydrophobicContact CD2-CG 4.48Å; L644-Y724 HydrophobicContact CG-CD2 4.48Å; L644-Y724 HydrophobicContact CG-CE2 4.4Å; A646-Y724 WeakPolarHBondContact CB-OH 3.47Å; W651-Y724 PolarHBondContact O-OH 2.94Å; G653-Y724 PolarHBondContact N-OH 3.25Å; E656-Y724 WeakPolarHBondContact OE2-CD1 3.4Å; E656-Y724 WeakPolarHBondContact OE2-CE1 3.33Å; K680-Y724 HydrophobicContact CD-CE1 4.28Å; K680-Y724 HydrophobicContact CG-CE1 4.36Å; K680-Y724 HydrophobicContact CG-CE2 4.45Å; T719-Y724 PolarHBondContact O-N 3.46Å
725	L	88.6	Confident	91.4	Very high	110 Å²	110	55.6 Å²	55.6	58%	0.576	30%	0.303	S	S	*	.	P	Polyproline II helix	trans	-78	138.1	171.3	-67.3	166.8	0	0	0	110.2
726	L	90.2	Very high	91.1	Very high	38 Å²	38	57.9 Å²	57.9	20%	0.199	31%	0.314	C	S	.	.	P	Polyproline II helix	trans	-66.1	136.8	169.1	-68.3	175.4	0	0	0	109.6	D716 T719 L720 F732	D716-L726 HydrophobicContact CB-CD2 3.92Å; T719-L726 HydrophobicContact CG2-CD2 4.02Å; L720-L726 HydrophobicContact CD1-CD1 3.97Å; L720-L726 HydrophobicContact CD1-CG 4.48Å; L720-L726 HydrophobicContact CD2-CD1 3.92Å; L720-L726 HydrophobicContact CD2-CD2 4.48Å; L720-L726 HydrophobicContact CD2-CG 3.75Å; L720-L726 HydrophobicContact CG-CD1 3.99Å; L720-L726 HydrophobicContact CG-CD2 4.19Å; L720-L726 HydrophobicContact CG-CG 3.94Å; L726-F732 HydrophobicContact CD1-CB 3.98Å; L726-F732 HydrophobicContact CD1-CD1 3.6Å; L726-F732 HydrophobicContact CD1-CE1 4.16Å; L726-F732 HydrophobicContact CD1-CG 3.79Å
727	R	84	Confident	90.8	Very high	184 Å²	184	60.6 Å²	60.6	69%	0.694	33%	0.329	S	S	*	.	S	Bend	trans	-70	-36.4	176.2	-69.9	-176.8	176.6	174.1	-0.9	112
728	D	88.7	Confident	90.5	Very high	83 Å²	83	61.8 Å²	61.8	44%	0.444	33%	0.332	S	S	.	.			trans	-135.9	106	179	-168.7	-23.8	0	0	0	108	A730 D731	D728-A730 PolarHBondContact OD1-N 2.98Å; D728-A730 VanDerWaalsContact OD1-N 3.1Å; D728-D731 HydrophobicContact CB-CB 3.93Å; D728-D731 WeakPolarHBondContact OD1-CB 3.4Å; D728-D731 PolarHBondContact OD1-N 3.3Å; D728-D731 WeakPolarHBondContact OD2-CB 3.43Å
729	S	90.8	Very high	90	Very high	88 Å²	88	66.2 Å²	66.2	62%	0.615	35%	0.353	S	S	*	.	H	α-helix	trans	-81.7	-26.9	-179.5	52.7	0	0	0	0	112.2	A733	S729-A733 WeakPolarHBondContact O-CB 3.45Å; S729-A733 PolarHBondContact O-N 3.24Å
730	A	91.9	Very high	89.8	Confident	55 Å²	55	69.8 Å²	69.8	46%	0.455	37%	0.371	S	S	.	.	H	α-helix	trans	-71	-48.7	177.8	0	0	0	0	0	110.4	D728 F732 A733 D734	D728-A730 PolarHBondContact OD1-N 2.98Å; D728-A730 VanDerWaalsContact OD1-N 3.1Å; A730-F732 PolarHBondContact O-N 3.28Å; A730-A733 WeakPolarHBondContact O-CA 3.36Å; A730-A733 WeakPolarHBondContact O-CB 3.29Å; A730-A733 PolarHBondContact O-N 2.9Å; A730-D734 VanDerWaalsContact O-CG 3.3Å; A730-D734 PolarHBondContact O-N 2.89Å
731	D	90.1	Very high	89.6	Confident	61 Å²	61	67.3 Å²	67.3	33%	0.326	36%	0.357	S	S	.	.	H	α-helix	trans	-59.3	-31.6	177	174.2	56.5	0	0	0	112.8	D728 R735	D728-D731 HydrophobicContact CB-CB 3.93Å; D728-D731 WeakPolarHBondContact OD1-CB 3.4Å; D728-D731 PolarHBondContact OD1-N 3.3Å; D728-D731 WeakPolarHBondContact OD2-CB 3.43Å; D731-R735 PolarHBondContact O-N 3.09Å; D731-R735 PolarHBondContact O-NH1 2.89Å; D731-R735 IonicContact OD1-CZ 2.85Å; D731-R735 IonicContact OD1-NH1 2.88Å; D731-R735 PolarHBondContact OD1-NH1 2.9Å; D731-R735 IonicContact OD2-CZ 2.85Å; D731-R735 IonicContact OD2-NH1 3.21Å; D731-R735 PolarHBondContact OD2-NH1 3.24Å; D731-R735 IonicContact OD2-NH2 3.83Å; D731-R735 PolarHBondContact OD2-NH2 2.97Å
732	F	90.7	Very high	89.4	Confident	36 Å²	36	65.1 Å²	65.1	16%	0.158	36%	0.358	C	S	.	.	H	α-helix	trans	-71.7	-44.2	171.4	173.3	-112.5	0	0	0	112.4	L713 D716 L720 L726 A730 R735 I736	L713-F732 HydrophobicContact CD1-CD2 4.31Å; L713-F732 HydrophobicContact CD1-CE2 3.82Å; D716-F732 HydrophobicContact CB-CD2 3.44Å; D716-F732 VanDerWaalsContact CB-CD2 3.44Å; D716-F732 HydrophobicContact CB-CE2 3.68Å; D716-F732 HydrophobicContact CB-CG 4.34Å; L720-F732 HydrophobicContact CD1-CE1 4.04Å; L720-F732 HydrophobicContact CD1-CZ 4.1Å; L726-F732 HydrophobicContact CD1-CB 3.98Å; L726-F732 HydrophobicContact CD1-CD1 3.6Å; L726-F732 HydrophobicContact CD1-CE1 4.16Å; L726-F732 HydrophobicContact CD1-CG 3.79Å; A730-F732 PolarHBondContact O-N 3.28Å; F732-R735 WeakPolarHBondContact O-CB 3.25Å; F732-R735 PolarHBondContact O-N 3.01Å; F732-I736 HydrophobicContact CD1-CD1 4.13Å; F732-I736 HydrophobicContact CE1-CD1 3.54Å; F732-I736 HydrophobicContact CE2-CD1 4.06Å; F732-I736 HydrophobicContact CE2-CG1 4.39Å; F732-I736 HydrophobicContact CZ-CD1 3.51Å; F732-I736 HydrophobicContact CZ-CG1 4.32Å; F732-I736 PolarHBondContact O-N 2.92Å; F732-I736 VanDerWaalsContact O-N 3.14Å
733	A	91.4	Very high	89.2	Confident	50 Å²	50	68.3 Å²	68.3	41%	0.413	39%	0.385	S	S	.	.	H	α-helix	trans	-62.7	-43.4	177.6	0	0	0	0	0	111.7	S729 A730 R735 I736 D737	S729-A733 WeakPolarHBondContact O-CB 3.45Å; S729-A733 PolarHBondContact O-N 3.24Å; A730-A733 WeakPolarHBondContact O-CA 3.36Å; A730-A733 WeakPolarHBondContact O-CB 3.29Å; A730-A733 PolarHBondContact O-N 2.9Å; A733-R735 VanDerWaalsContact C-N 3.29Å; A733-R735 PolarHBondContact O-N 3.28Å; A733-I736 WeakPolarHBondContact O-CA 3.42Å; A733-I736 WeakPolarHBondContact O-CB 3.39Å; A733-I736 PolarHBondContact O-N 3.27Å; A733-D737 PolarHBondContact O-N 3.21Å
734	D	89.7	Confident	89.3	Confident	103 Å²	103	73 Å²	73	55%	0.551	40%	0.404	S	S	*	.	H	α-helix	trans	-59.9	-39.4	176.7	-67.1	-17.3	0	0	0	111.5	A730 I736 D737 V738	A730-D734 VanDerWaalsContact O-CG 3.3Å; A730-D734 PolarHBondContact O-N 2.89Å; D734-I736 VanDerWaalsContact C-N 3.34Å; D734-I736 PolarHBondContact O-N 3.34Å; D734-D737 PolarHBondContact O-N 3.37Å; D734-V738 WeakPolarHBondContact O-CG2 3.4Å; D734-V738 PolarHBondContact O-N 3.49Å
735	R	87.6	Confident	89.1	Confident	41 Å²	41	79.8 Å²	79.8	16%	0.155	44%	0.441	C	S	.	.	H	α-helix	trans	-63.9	-37.8	173.5	-84.4	-169.2	-73.4	-75.1	1.1	113	D716 D731 F732 A733 M739	D716-R735 IonicContact OD1-NH2 2.7Å; D716-R735 IonicContact OD2-CZ 3.52Å; D716-R735 VanDerWaalsContact OD2-CZ 3.3Å; D716-R735 IonicContact OD2-NE 3.98Å; D716-R735 PolarHBondContact OD2-NE 3.43Å; D716-R735 IonicContact OD2-NH2 3.65Å; D716-R735 PolarHBondContact OD2-NH2 3.27Å; D731-R735 PolarHBondContact O-N 3.09Å; D731-R735 PolarHBondContact O-NH1 2.89Å; D731-R735 IonicContact OD1-CZ 2.85Å; D731-R735 IonicContact OD1-NH1 2.88Å; D731-R735 PolarHBondContact OD1-NH1 2.9Å; D731-R735 IonicContact OD2-CZ 2.85Å; D731-R735 IonicContact OD2-NH1 3.21Å; D731-R735 PolarHBondContact OD2-NH1 3.24Å; D731-R735 IonicContact OD2-NH2 3.83Å; D731-R735 PolarHBondContact OD2-NH2 2.97Å; F732-R735 WeakPolarHBondContact O-CB 3.25Å; F732-R735 PolarHBondContact O-N 3.01Å; A733-R735 VanDerWaalsContact C-N 3.29Å; A733-R735 PolarHBondContact O-N 3.28Å; R735-M739 WeakPolarHBondContact O-CB 3.4Å; R735-M739 PolarHBondContact O-N 3.25Å; R735-M739 VanDerWaalsContact O-N 3.08Å
736	I	89.7	Confident	89.1	Confident	57 Å²	57	78.4 Å²	78.4	29%	0.292	43%	0.434	S	S	.	.	H	α-helix	trans	-66	-44.1	174.9	-67.8	175.9	0	0	0	109.7	F732 A733 D734 V738 M739 L740	F732-I736 HydrophobicContact CD1-CD1 4.13Å; F732-I736 HydrophobicContact CE1-CD1 3.54Å; F732-I736 HydrophobicContact CE2-CD1 4.06Å; F732-I736 HydrophobicContact CE2-CG1 4.39Å; F732-I736 HydrophobicContact CZ-CD1 3.51Å; F732-I736 HydrophobicContact CZ-CG1 4.32Å; F732-I736 PolarHBondContact O-N 2.92Å; F732-I736 VanDerWaalsContact O-N 3.14Å; A733-I736 WeakPolarHBondContact O-CA 3.42Å; A733-I736 WeakPolarHBondContact O-CB 3.39Å; A733-I736 PolarHBondContact O-N 3.27Å; D734-I736 VanDerWaalsContact C-N 3.34Å; D734-I736 PolarHBondContact O-N 3.34Å; I736-V738 PolarHBondContact O-N 3.13Å; I736-M739 CarbonylContact O-C 3.59Å; I736-M739 WeakPolarHBondContact O-CB 3.41Å; I736-M739 PolarHBondContact O-N 2.75Å; I736-M739 VanDerWaalsContact O-N 3.1Å; I736-L740 HydrophobicContact CG2-CD1 3.83Å; I736-L740 HydrophobicContact CG2-CG 4.12Å; I736-L740 WeakPolarHBondContact O-CG 3.45Å; I736-L740 PolarHBondContact O-N 2.87Å
737	D	88.5	Confident	89	Confident	71 Å²	71	80.9 Å²	80.9	38%	0.38	45%	0.447	S	S	.	.	H	α-helix	trans	-57.3	-48.8	177.2	-177.3	41.6	0	0	0	111.4	A733 D734 M739 L740 K741	A733-D737 PolarHBondContact O-N 3.21Å; D734-D737 PolarHBondContact O-N 3.37Å; D737-M739 VanDerWaalsContact C-N 3.27Å; D737-M739 PolarHBondContact O-N 2.84Å; D737-L740 PolarHBondContact O-N 2.79Å; D737-L740 VanDerWaalsContact O-N 3.14Å; D737-K741 WeakPolarHBondContact O-CG 3.3Å; D737-K741 PolarHBondContact O-N 2.92Å; D737-K741 WeakPolarHBondContact OD1-CE 3.49Å; D737-K741 WeakPolarHBondContact OD2-CE 3.45Å; D737-K741 IonicContact OD2-NZ 2.7Å; D737-K741 PolarHBondContact OD2-NZ 2.97Å
738	V	86.8	Confident	88.8	Confident	67 Å²	67	74.6 Å²	74.6	41%	0.406	43%	0.43	S	S	.	.	H	α-helix	trans	-57.5	-39.9	174.9	169.8	0	0	0	0	112.1	D734 I736 S742 P748	D734-V738 WeakPolarHBondContact O-CG2 3.4Å; D734-V738 PolarHBondContact O-N 3.49Å; I736-V738 PolarHBondContact O-N 3.13Å; V738-S742 WeakPolarHBondContact O-CB 3.35Å; V738-S742 PolarHBondContact O-N 2.86Å; V738-S742 PolarHBondContact O-OG 2.95Å; V738-P748 HydrophobicContact CG1-CB 4.33Å
739	M	85.3	Confident	88.5	Confident	96 Å²	96	77 Å²	77	47%	0.473	44%	0.443	S	S	.	.	H	α-helix	trans	-69.1	-40.3	177.6	-172.6	-177.9	69.7	0	0	112	L713 R735 I736 D737 S742 A743	L713-M739 HydrophobicContact CD2-SD 3.79Å; R735-M739 WeakPolarHBondContact O-CB 3.4Å; R735-M739 PolarHBondContact O-N 3.25Å; R735-M739 VanDerWaalsContact O-N 3.08Å; I736-M739 CarbonylContact O-C 3.59Å; I736-M739 WeakPolarHBondContact O-CB 3.41Å; I736-M739 PolarHBondContact O-N 2.75Å; I736-M739 VanDerWaalsContact O-N 3.1Å; D737-M739 VanDerWaalsContact C-N 3.27Å; D737-M739 PolarHBondContact O-N 2.84Å; M739-S742 PolarHBondContact O-N 2.79Å; M739-A743 VanDerWaalsContact O-CB 3.32Å; M739-A743 WeakPolarHBondContact O-CB 3.45Å; M739-A743 PolarHBondContact O-N 3.14Å
740	L	89.1	Confident	88.2	Confident	91 Å²	91	77.8 Å²	77.8	48%	0.476	44%	0.437	S	S	.	.	H	α-helix	trans	-65.6	-45.9	176.8	-72.5	173.3	0	0	0	111.1	I736 D737 S742 A743 L744	I736-L740 HydrophobicContact CG2-CD1 3.83Å; I736-L740 HydrophobicContact CG2-CG 4.12Å; I736-L740 WeakPolarHBondContact O-CG 3.45Å; I736-L740 PolarHBondContact O-N 2.87Å; D737-L740 PolarHBondContact O-N 2.79Å; D737-L740 VanDerWaalsContact O-N 3.14Å; L740-S742 VanDerWaalsContact C-N 3.33Å; L740-S742 PolarHBondContact O-N 2.75Å; L740-A743 PolarHBondContact O-N 3.19Å; L740-L744 WeakPolarHBondContact O-CB 3.4Å; L740-L744 VanDerWaalsContact O-CG 3.3Å; L740-L744 WeakPolarHBondContact O-CG 3.42Å; L740-L744 PolarHBondContact O-N 3.47Å
741	K	89.9	Confident	87.7	Confident	34 Å²	34	84 Å²	84	15%	0.148	45%	0.454	C	S	.	.	H	α-helix	trans	-55.2	-49.1	172.9	-73.1	172.7	178	168.1	0	111.2	D737 A743 L744 N745 L746 P748 E750	D737-K741 WeakPolarHBondContact O-CG 3.3Å; D737-K741 PolarHBondContact O-N 2.92Å; D737-K741 WeakPolarHBondContact OD1-CE 3.49Å; D737-K741 WeakPolarHBondContact OD2-CE 3.45Å; D737-K741 IonicContact OD2-NZ 2.7Å; D737-K741 PolarHBondContact OD2-NZ 2.97Å; K741-A743 PolarHBondContact O-N 2.83Å; K741-L744 CarbonylContact O-C 3.59Å; K741-L744 PolarHBondContact O-N 3.45Å; K741-N745 PolarHBondContact O-N 3.47Å; K741-N745 VanDerWaalsContact O-N 3.08Å; K741-L746 HydrophobicContact CB-CB 4.07Å; K741-L746 HydrophobicContact CG-CB 4.33Å; K741-L746 PolarHBondContact O-N 3.21Å; K741-P748 WeakPolarHBondContact CD-O 3.23Å; K741-P748 PolarHBondContact NZ-O 2.85Å; K741-E750 WeakPolarHBondContact CE-O 3.34Å; K741-E750 PolarHBondContact NZ-O 2.94Å
742	S	86.2	Confident	87.4	Confident	62 Å²	62	85.5 Å²	85.5	43%	0.434	48%	0.475	S	S	.	.	H	α-helix	trans	-62	-41.8	178.2	-57.8	0	0	0	0	112.5	V738 M739 L740 L744 N745	V738-S742 WeakPolarHBondContact O-CB 3.35Å; V738-S742 PolarHBondContact O-N 2.86Å; V738-S742 PolarHBondContact O-OG 2.95Å; M739-S742 PolarHBondContact O-N 2.79Å; L740-S742 VanDerWaalsContact C-N 3.33Å; L740-S742 PolarHBondContact O-N 2.75Å; S742-L744 VanDerWaalsContact C-N 3.26Å; S742-L744 PolarHBondContact O-N 2.95Å; S742-N745 PolarHBondContact O-N 3.19Å
743	A	89.9	Confident	86.8	Confident	75 Å²	75	93 Å²	93	62%	0.62	51%	0.511	S	S	*	.	H	α-helix	trans	-66.9	-27.7	178.1	0	0	0	0	0	113	M739 L740 K741	M739-A743 VanDerWaalsContact O-CB 3.32Å; M739-A743 WeakPolarHBondContact O-CB 3.45Å; M739-A743 PolarHBondContact O-N 3.14Å; L740-A743 PolarHBondContact O-N 3.19Å; K741-A743 PolarHBondContact O-N 2.83Å
744	L	92.8	Very high	86	Confident	120 Å²	120	99.5 Å²	99.5	63%	0.628	53%	0.532	S	S	*	.	T	Hydrogen-bonded Turn	trans	-92.1	3.4	176.1	-64.4	174.8	0	0	0	113.3	L740 K741 S742 L746	L740-L744 WeakPolarHBondContact O-CB 3.4Å; L740-L744 VanDerWaalsContact O-CG 3.3Å; L740-L744 WeakPolarHBondContact O-CG 3.42Å; L740-L744 PolarHBondContact O-N 3.47Å; K741-L744 CarbonylContact O-C 3.59Å; K741-L744 PolarHBondContact O-N 3.45Å; S742-L744 VanDerWaalsContact C-N 3.26Å; S742-L744 PolarHBondContact O-N 2.95Å; L744-L746 HydrophobicContact CB-CD1 4.1Å; L744-L746 HydrophobicContact CB-CG 3.95Å; L744-L746 HydrophobicContact CD1-CD1 4.27Å; L744-L746 PolarHBondContact O-N 2.83Å
745	N	89.8	Confident	85.2	Confident	153 Å²	153	102.9 Å²	102.9	82%	0.818	54%	0.542	S	S	*	.	T	Hydrogen-bonded Turn	trans	57.8	28.8	-173.7	-51.3	-69.3	0	0	0	114.2	K741 S742	K741-N745 PolarHBondContact O-N 3.47Å; K741-N745 VanDerWaalsContact O-N 3.08Å; S742-N745 PolarHBondContact O-N 3.19Å
746	L	89	Confident	83.9	Confident	81 Å²	81	109.6 Å²	109.6	42%	0.424	58%	0.576	S	S	.	*			trans	-83.9	157.9	171.1	-57.6	176	0	0	0	110.2	K741 L744 P748	K741-L746 HydrophobicContact CB-CB 4.07Å; K741-L746 HydrophobicContact CG-CB 4.33Å; K741-L746 PolarHBondContact O-N 3.21Å; L744-L746 HydrophobicContact CB-CD1 4.1Å; L744-L746 HydrophobicContact CB-CG 3.95Å; L744-L746 HydrophobicContact CD1-CD1 4.27Å; L744-L746 PolarHBondContact O-N 2.83Å; L746-P748 WeakPolarHBondContact O-CD 3.5Å
747	N	86.3	Confident	82.5	Confident	90 Å²	90	114.7 Å²	114.7	48%	0.481	60%	0.598	S	S	.	*			trans	-68.9	123.2	174	176.3	6.6	0	0	0	108.8	D749 E750	N747-D749 PolarHBondContact O-N 3.03Å; N747-D749 VanDerWaalsContact O-N 3.11Å; N747-D749 PolarHBondContact OD1-N 3.22Å; N747-E750 HydrophobicContact CB-CB 4.12Å; N747-E750 WeakPolarHBondContact O-CB 3.31Å; N747-E750 PolarHBondContact O-N 2.89Å
748	P	80.2	Confident	81	Confident	52 Å²	52	120.2 Å²	120.2	34%	0.338	62%	0.622	S	S	.	*	T	Hydrogen-bonded Turn	trans	-54.5	-31.2	179.7	-28.9	37	0	0	0	114.3	V738 K741 L746 E750	V738-P748 HydrophobicContact CG1-CB 4.33Å; K741-P748 WeakPolarHBondContact CD-O 3.23Å; K741-P748 PolarHBondContact NZ-O 2.85Å; L746-P748 WeakPolarHBondContact O-CD 3.5Å; P748-E750 VanDerWaalsContact C-N 3.33Å
749	D	83.5	Confident	79.5	Confident	135 Å²	135	128 Å²	128	72%	0.722	64%	0.644	S	S	*	*	T	Hydrogen-bonded Turn	trans	-88.2	0.5	-179.6	-60.2	-43.2	0	0	0	113.3	N747 K751	N747-D749 PolarHBondContact O-N 3.03Å; N747-D749 VanDerWaalsContact O-N 3.11Å; N747-D749 PolarHBondContact OD1-N 3.22Å; D749-K751 PolarHBondContact O-N 2.79Å
750	E	83.3	Confident	78.2	Confident	103 Å²	103	130.4 Å²	130.4	48%	0.481	65%	0.654	S	S	.	*	P	Polyproline II helix	trans	-64.2	122.7	177	-164.6	164.8	-175.2	0	0	110	K741 N747 P748	K741-E750 WeakPolarHBondContact CE-O 3.34Å; K741-E750 PolarHBondContact NZ-O 2.94Å; N747-E750 HydrophobicContact CB-CB 4.12Å; N747-E750 WeakPolarHBondContact O-CB 3.31Å; N747-E750 PolarHBondContact O-N 2.89Å; P748-E750 VanDerWaalsContact C-N 3.33Å
751	K	81.8	Confident	76.7	Confident	185 Å²	185	135.1 Å²	135.1	80%	0.804	67%	0.673	S	S	*	*	P	Polyproline II helix	trans	-93.9	153.5	178.2	-64.4	-173.6	177.9	-176	0	109.4	D749 E753	D749-K751 PolarHBondContact O-N 2.79Å; K751-E753 PolarHBondContact O-N 3.45Å
752	A	83.1	Confident	75.4	Confident	93 Å²	93	140.9 Å²	140.9	77%	0.769	71%	0.706	S	S	*	*	P	Polyproline II helix	trans	-56.4	139.8	168.1	0	0	0	0	0	109.6	E754	A752-E754 PolarHBondContact O-N 3.1Å
753	E	80	Confident	74.1	Confident	195 Å²	195	143.7 Å²	143.7	91%	0.911	72%	0.715	S	S	*	*	P	Polyproline II helix	trans	-60.6	122.1	172.2	-68.6	-177.7	165.4	0	0	108.7	K751 F755	K751-E753 PolarHBondContact O-N 3.45Å; E753-F755 PolarHBondContact O-N 2.9Å
754	E	72.8	Confident	73.1	Confident	186 Å²	186	145.2 Å²	145.2	87%	0.869	72%	0.719	S	S	*	*			trans	-68.1	114.9	172.4	-72.1	-179.9	-177.7	0	0	107.6	A752 E756	A752-E754 PolarHBondContact O-N 3.1Å; E754-E756 PolarHBondContact O-N 3.24Å
755	F	72.6	Confident	71.9	Confident	173 Å²	173	145.1 Å²	145.1	76%	0.759	73%	0.726	S	S	*	*			trans	-66.8	121.8	166.5	-177.1	-100.3	0	0	0	107.4	E753 E757	E753-F755 PolarHBondContact O-N 2.9Å; F755-E757 VanDerWaalsContact C-N 3.27Å; F755-E757 HydrophobicContact CD1-CG 3.88Å; F755-E757 HydrophobicContact CE1-CG 4.38Å; F755-E757 PolarHBondContact O-N 3.18Å
756	E	60.6	Low	70.7	Confident	183 Å²	183	145.4 Å²	145.4	86%	0.855	73%	0.725	S	S	*	*			trans	-65.7	92.1	169.8	-76.3	-173.4	161.3	0	0	108.1	E754 E758	E754-E756 PolarHBondContact O-N 3.24Å; E756-E758 PolarHBondContact O-N 3.37Å
757	E	60.6	Low	69.3	Low	164 Å²	164	146.7 Å²	146.7	77%	0.766	74%	0.739	S	S	*	*			trans	-63.9	117.2	164.8	-71.2	-178.3	170.7	0	0	107.6	F755 R759	F755-E757 VanDerWaalsContact C-N 3.27Å; F755-E757 HydrophobicContact CD1-CG 3.88Å; F755-E757 HydrophobicContact CE1-CG 4.38Å; F755-E757 PolarHBondContact O-N 3.18Å; E757-R759 PolarHBondContact O-N 3.44Å
758	E	57	Low	68	Low	187 Å²	187	152 Å²	152	87%	0.874	76%	0.758	S	S	*	*			trans	-53	114.9	163	-74.9	-176.4	168.8	0	0	106.6	E756 E760	E756-E758 PolarHBondContact O-N 3.37Å; E758-E760 PolarHBondContact O-N 3.39Å
759	R	55.2	Low	66.8	Low	231 Å²	231	158.3 Å²	158.3	87%	0.872	78%	0.783	S	S	*	*			trans	-55.8	112.5	173.7	-76	-176.2	-167.6	178	4.4	107	E757 E761	E757-R759 PolarHBondContact O-N 3.44Å; R759-E761 VanDerWaalsContact C-N 3.27Å; R759-E761 PolarHBondContact O-N 2.77Å
760	E	58.4	Low	65.3	Low	145 Å²	145	159.9 Å²	159.9	68%	0.678	79%	0.786	S	S	*	*			trans	-60.4	97.2	163.3	-74.9	-173.4	162.1	0	0	107	E758 D762 L763	E758-E760 PolarHBondContact O-N 3.39Å; E760-D762 PolarHBondContact O-N 2.67Å; E760-L763 HydrophobicContact CB-CD1 4.07Å; E760-L763 HydrophobicContact CB-CG 4.02Å; E760-L763 PolarHBondContact O-N 3.41Å
761	E	58.6	Low	64.1	Low	190 Å²	190	160.9 Å²	160.9	89%	0.888	80%	0.801	S	S	*	*	T	Hydrogen-bonded Turn	trans	-63.3	-5	178.9	-70.3	-170.2	156	0	0	112.6	R759	R759-E761 VanDerWaalsContact C-N 3.27Å; R759-E761 PolarHBondContact O-N 2.77Å
762	D	61	Low	62.8	Low	156 Å²	156	157.2 Å²	157.2	83%	0.834	79%	0.789	S	S	*	*	T	Hydrogen-bonded Turn	trans	-106.1	9.1	-179.4	-80.5	-28.8	0	0	0	114.9	E760 P764	E760-D762 PolarHBondContact O-N 2.67Å; D762-P764 WeakPolarHBondContact O-CD 3.33Å
763	L	60	Low	61.6	Low	121 Å²	121	156.7 Å²	156.7	63%	0.634	77%	0.773	S	S	*	*	P	Polyproline II helix	trans	-68.5	118.8	172.1	-78.6	164.9	0	0	0	110	E760	E760-L763 HydrophobicContact CB-CD1 4.07Å; E760-L763 HydrophobicContact CB-CG 4.02Å; E760-L763 PolarHBondContact O-N 3.41Å
764	P	68.9	Low	60.7	Low	106 Å²	106	154.6 Å²	154.6	69%	0.688	77%	0.767	S	S	*	*	P	Polyproline II helix	trans	-59.3	143	177.9	24.4	-32.2	0	0	0	109.6	D762 I766	D762-P764 WeakPolarHBondContact O-CD 3.33Å; P764-I766 PolarHBondContact O-N 3.5Å
765	P	67.3	Low	60	Low	119 Å²	119	153 Å²	153	77%	0.773	77%	0.765	S	S	*	*	P	Polyproline II helix	trans	-55.1	130.4	178.6	21	-30.4	0	0	0	109.5	P767	P765-P767 WeakPolarHBondContact O-CD 3.13Å
766	I	64.2	Low	59.4	Low	158 Å²	158	149.8 Å²	149.8	81%	0.81	76%	0.76	S	S	*	*	P	Polyproline II helix	trans	-49.3	119	170.3	-57.5	171.3	0	0	0	106	P764 K768	P764-I766 PolarHBondContact O-N 3.5Å; I766-K768 PolarHBondContact O-N 3.28Å; I766-K768 VanDerWaalsContact O-N 3.08Å
767	P	60.5	Low	58.9	Low	109 Å²	109	147.5 Å²	147.5	71%	0.708	74%	0.744	S	S	*	*	P	Polyproline II helix	trans	-53.4	124.9	178.3	-21.6	30.7	0	0	0	107.2	P765 E769	P765-P767 WeakPolarHBondContact O-CD 3.13Å; P767-E769 PolarHBondContact O-N 3.25Å
768	K	58.7	Low	58.4	Low	202 Å²	202	144.4 Å²	144.4	88%	0.878	74%	0.736	S	S	*	*			trans	-55.6	113.1	167.4	-77.5	-178.9	177.1	177.3	0	105.6	I766 E770	I766-K768 PolarHBondContact O-N 3.28Å; I766-K768 VanDerWaalsContact O-N 3.08Å; K768-E770 VanDerWaalsContact C-N 3.31Å; K768-E770 PolarHBondContact O-N 3.45Å
769	E	54.8	Low	58.2	Low	184 Å²	184	137.7 Å²	137.7	86%	0.86	71%	0.709	S	S	*	*			trans	-56.8	101.9	170.5	-71.7	-177.7	159.5	0	0	106.7	P767	P767-E769 PolarHBondContact O-N 3.25Å
770	E	51.6	Low	58	Low	168 Å²	168	133.2 Å²	133.2	79%	0.785	70%	0.698	S	S	*	*			trans	-58.3	137.7	157.9	-73.8	-174.2	162.4	0	0	106.4	K768 I772	K768-E770 VanDerWaalsContact C-N 3.31Å; K768-E770 PolarHBondContact O-N 3.45Å; E770-I772 PolarHBondContact O-N 3.34Å
771	P	57.3	Low	57.5	Low	124 Å²	124	134.7 Å²	134.7	81%	0.805	70%	0.702	S	S	*	*			trans	-53.5	117.7	178	21.4	-30.4	0	0	0	108	D773	P771-D773 PolarHBondContact O-N 3.25Å
772	I	55.4	Low	57	Low	107 Å²	107	130.9 Å²	130.9	55%	0.549	69%	0.685	S	S	.	*			trans	-59.5	108.9	174.6	-61.8	171.2	0	0	0	106	E770 L774 Y777	E770-I772 PolarHBondContact O-N 3.34Å; I772-L774 PolarHBondContact O-N 3.17Å; I772-Y777 HydrophobicContact CD1-CE2 4.4Å; I772-Y777 HydrophobicContact CG2-CD2 3.47Å; I772-Y777 VanDerWaalsContact CG2-CD2 3.47Å; I772-Y777 HydrophobicContact CG2-CE2 4.31Å; I772-Y777 HydrophobicContact CG2-CG 3.78Å
773	D	58.9	Low	56.2	Low	83 Å²	83	129.2 Å²	129.2	44%	0.444	67%	0.671	S	S	.	*			trans	-64.5	105.8	166.1	175.4	19.2	0	0	0	107.5	P771 D775 T776 Y777	P771-D773 PolarHBondContact O-N 3.25Å; D773-D775 PolarHBondContact O-N 2.81Å; D773-D775 VanDerWaalsContact O-N 3.08Å; D773-D775 WeakPolarHBondContact OD1-CB 3.4Å; D773-D775 PolarHBondContact OD1-N 2.85Å; D773-T776 WeakPolarHBondContact CB-OG1 3.48Å; D773-T776 PolarHBondContact O-N 3.03Å; D773-T776 PolarHBondContact O-OG1 3.17Å; D773-T776 PolarHBondContact OD2-OG1 3.02Å; D773-T776 VanDerWaalsContact OD2-OG1 3.05Å; D773-Y777 PolarHBondContact O-N 3.35Å; D773-Y777 VanDerWaalsContact O-N 3.15Å
774	L	59.2	Low	55.5	Low	150 Å²	150	128.5 Å²	128.5	79%	0.785	67%	0.668	S	S	*	*	T	Hydrogen-bonded Turn	trans	-59.1	-16.7	178.5	-94.3	124.1	0	0	0	112.3	I772	I772-L774 PolarHBondContact O-N 3.17Å
775	D	60.1	Low	54.5	Low	153 Å²	153	130.6 Å²	130.6	82%	0.818	67%	0.666	S	S	*	*	T	Hydrogen-bonded Turn	trans	-83.3	-13.7	177.6	-63.7	-18.9	0	0	0	112.9	D773	D773-D775 PolarHBondContact O-N 2.81Å; D773-D775 VanDerWaalsContact O-N 3.08Å; D773-D775 WeakPolarHBondContact OD1-CB 3.4Å; D773-D775 PolarHBondContact OD1-N 2.85Å
776	T	59.8	Low	53.6	Low	106 Å²	106	130.9 Å²	130.9	65%	0.65	66%	0.657	S	S	*	*	T	Hydrogen-bonded Turn	trans	-118.5	-3.6	176.2	40.3	0	0	0	0	114.6	D773 V778	D773-T776 WeakPolarHBondContact CB-OG1 3.48Å; D773-T776 PolarHBondContact O-N 3.03Å; D773-T776 PolarHBondContact O-OG1 3.17Å; D773-T776 PolarHBondContact OD2-OG1 3.02Å; D773-T776 VanDerWaalsContact OD2-OG1 3.05Å; T776-V778 PolarHBondContact O-N 3.35Å; T776-V778 VanDerWaalsContact O-N 3.16Å
777	Y	49.9	Very low	52.9	Low	135 Å²	135	130.1 Å²	130.1	53%	0.529	65%	0.648	S	S	.	*			trans	-74.4	103.6	177.7	-171.4	-99	0	0	0	112.5	I772 D773 P779	I772-Y777 HydrophobicContact CD1-CE2 4.4Å; I772-Y777 HydrophobicContact CG2-CD2 3.47Å; I772-Y777 VanDerWaalsContact CG2-CD2 3.47Å; I772-Y777 HydrophobicContact CG2-CE2 4.31Å; I772-Y777 HydrophobicContact CG2-CG 3.78Å; D773-Y777 PolarHBondContact O-N 3.35Å; D773-Y777 VanDerWaalsContact O-N 3.15Å; Y777-P779 HydrophobicContact CD1-CG 4.18Å; Y777-P779 HydrophobicContact CE1-CB 4.12Å; Y777-P779 HydrophobicContact CE1-CG 3.98Å; Y777-P779 WeakPolarHBondContact O-CD 3.34Å
778	V	50.5	Low	52.4	Low	98 Å²	98	126.3 Å²	126.3	59%	0.594	63%	0.628	S	S	*	*			trans	-92.9	113	165.8	-175.8	0	0	0	0	108.1	T776 H780 M782	T776-V778 PolarHBondContact O-N 3.35Å; T776-V778 VanDerWaalsContact O-N 3.16Å; V778-H780 PolarHBondContact O-N 3.21Å; V778-M782 HydrophobicContact CG1-CB 3.83Å; V778-M782 HydrophobicContact CG1-CG 4.24Å; V778-M782 HydrophobicContact CG1-SD 3.96Å
779	P	52	Low	52.1	Low	47 Å²	47	122.4 Å²	122.4	31%	0.305	61%	0.613	S	S	.	*			trans	-57.1	139	-178.9	-21.9	31.3	0	0	0	111.3	Y777 F781 M782	Y777-P779 HydrophobicContact CD1-CG 4.18Å; Y777-P779 HydrophobicContact CE1-CB 4.12Å; Y777-P779 HydrophobicContact CE1-CG 3.98Å; Y777-P779 WeakPolarHBondContact O-CD 3.34Å; P779-F781 PolarHBondContact O-N 3.18Å; P779-M782 WeakPolarHBondContact O-CB 3.42Å; P779-M782 PolarHBondContact O-N 2.69Å
780	H	51.9	Low	52.1	Low	137 Å²	137	121.5 Å²	121.5	63%	0.634	61%	0.607	S	S	*	*	G	3₁₀ helix	trans	-59.1	-12.2	179.9	-116.9	58.9	0	0	0	114.2	V778 M782 K783	V778-H780 PolarHBondContact O-N 3.21Å; H780-M782 VanDerWaalsContact C-N 3.27Å; H780-M782 PolarHBondContact O-N 2.86Å; H780-K783 PolarHBondContact O-N 2.96Å
781	F	47.7	Very low	52.2	Low	175 Å²	175	120.4 Å²	120.4	77%	0.768	60%	0.601	S	S	*	*	G	3₁₀ helix	trans	-76.5	-5.5	169.9	-58.9	-75.1	0	0	0	114.4	P779	P779-F781 PolarHBondContact O-N 3.18Å
782	M	47.6	Very low	52.1	Low	110 Å²	110	120.5 Å²	120.5	54%	0.542	59%	0.591	S	S	.	*	G	3₁₀ helix	trans	-89.9	-20.8	169.3	-66	-158.4	179.9	0	0	112.9	V778 P779 H780 D784 K785 E786	V778-M782 HydrophobicContact CG1-CB 3.83Å; V778-M782 HydrophobicContact CG1-CG 4.24Å; V778-M782 HydrophobicContact CG1-SD 3.96Å; P779-M782 WeakPolarHBondContact O-CB 3.42Å; P779-M782 PolarHBondContact O-N 2.69Å; H780-M782 VanDerWaalsContact C-N 3.27Å; H780-M782 PolarHBondContact O-N 2.86Å; M782-D784 VanDerWaalsContact C-N 3.33Å; M782-K785 PolarHBondContact O-N 3.1Å; M782-E786 PolarHBondContact O-N 2.83Å; M782-E786 VanDerWaalsContact O-N 3.17Å
783	K	43.3	Very low	52.2	Low	121 Å²	121	122 Å²	122	53%	0.526	59%	0.594	S	S	.	*	H	α-helix	trans	-72.9	-25.5	174.6	-85.3	-176.9	173.8	178	0	113.1	H780 E786 K787	H780-K783 PolarHBondContact O-N 2.96Å; K783-E786 PolarHBondContact O-N 3.08Å; K783-K787 PolarHBondContact O-N 3.04Å; K783-K787 VanDerWaalsContact O-N 3.16Å
784	D	46.9	Very low	52.5	Low	106 Å²	106	119.7 Å²	119.7	57%	0.567	59%	0.589	S	S	*	*	H	α-helix	trans	-79.7	-21.4	172.5	-66.1	-27.6	0	0	0	112.3	M782 G788	M782-D784 VanDerWaalsContact C-N 3.33Å; D784-G788 PolarHBondContact O-N 3.25Å
785	K	47.6	Very low	52.5	Low	151 Å²	151	118.1 Å²	118.1	66%	0.657	58%	0.578	S	S	*	*	H	α-helix	trans	-73.3	-35.8	166.9	-85.7	-173.2	172.1	-175.6	0	112.5	M782 K787 G788 E789	M782-K785 PolarHBondContact O-N 3.1Å; K785-K787 VanDerWaalsContact C-N 3.34Å; K785-G788 PolarHBondContact O-N 3.07Å; K785-E789 WeakPolarHBondContact O-CB 3.41Å; K785-E789 WeakPolarHBondContact O-CG 3.47Å; K785-E789 PolarHBondContact O-N 3.12Å
786	E	48.1	Very low	52.4	Low	125 Å²	125	117.4 Å²	117.4	58%	0.584	57%	0.567	S	S	*	*	H	α-helix	trans	-72	-26.6	173.9	-74.6	-174.4	157.7	0	0	113.3	M782 K783 K790	M782-E786 PolarHBondContact O-N 2.83Å; M782-E786 VanDerWaalsContact O-N 3.17Å; K783-E786 PolarHBondContact O-N 3.08Å; E786-K790 WeakPolarHBondContact O-CG 2.88Å; E786-K790 PolarHBondContact O-N 2.92Å
787	K	48.9	Very low	52.6	Low	142 Å²	142	118.6 Å²	118.6	62%	0.617	57%	0.565	S	S	*	*	H	α-helix	trans	-75.2	-41.4	168.5	-81.1	-177.4	174.4	179.7	0	112	K783 K785 E789 K790 E791	K783-K787 PolarHBondContact O-N 3.04Å; K783-K787 VanDerWaalsContact O-N 3.16Å; K785-K787 VanDerWaalsContact C-N 3.34Å; K787-E789 PolarHBondContact O-N 3.13Å; K787-K790 PolarHBondContact O-N 2.74Å; K787-E791 PolarHBondContact O-N 3.34Å
788	G	50.4	Low	53.2	Low	29 Å²	29	117.1 Å²	117.1	30%	0.299	56%	0.563	S	S	.	*	H	α-helix	trans	-63.9	-35.6	173.6	0	0	0	0	0	113.6	D784 K785 E791 E792	D784-G788 PolarHBondContact O-N 3.25Å; K785-G788 PolarHBondContact O-N 3.07Å; G788-E791 PolarHBondContact O-N 3.45Å; G788-E792 WeakPolarHBondContact O-CB 3.48Å; G788-E792 PolarHBondContact O-N 3.06Å
789	E	51.5	Low	53.7	Low	120 Å²	120	118.8 Å²	118.8	56%	0.561	56%	0.562	S	S	*	*	H	α-helix	trans	-74.1	-25.7	174.5	-79	-177.7	179.7	0	0	113.1	K785 K787 K793	K785-E789 WeakPolarHBondContact O-CB 3.41Å; K785-E789 WeakPolarHBondContact O-CG 3.47Å; K785-E789 PolarHBondContact O-N 3.12Å; K787-E789 PolarHBondContact O-N 3.13Å; E789-K793 VanDerWaalsContact O-CB 3.29Å; E789-K793 WeakPolarHBondContact O-CB 3.42Å; E789-K793 VanDerWaalsContact O-CG 3.27Å; E789-K793 WeakPolarHBondContact O-CG 3.28Å; E789-K793 PolarHBondContact O-N 3.34Å; E789-K793 VanDerWaalsContact O-N 3.08Å
790	K	55	Low	54.1	Low	165 Å²	165	122.7 Å²	122.7	72%	0.717	58%	0.577	S	S	*	*	H	α-helix	trans	-78.7	-34.5	171.4	-79.9	-178.2	177.6	179.6	0	112.4	E786 K787 G794	E786-K790 WeakPolarHBondContact O-CG 2.88Å; E786-K790 PolarHBondContact O-N 2.92Å; K787-K790 PolarHBondContact O-N 2.74Å; K790-G794 PolarHBondContact O-N 2.91Å
791	E	54.5	Low	54.6	Low	145 Å²	145	122.4 Å²	122.4	68%	0.678	58%	0.576	S	S	*	*	H	α-helix	trans	-72.2	-38.7	172.4	-75	178.2	173.5	0	0	111.8	K787 G788 G794 E795	K787-E791 PolarHBondContact O-N 3.34Å; G788-E791 PolarHBondContact O-N 3.45Å; E791-G794 PolarHBondContact O-N 3.09Å; E791-E795 PolarHBondContact O-N 3.3Å
792	E	54	Low	55.2	Low	125 Å²	125	119.3 Å²	119.3	58%	0.584	56%	0.562	S	S	*	*	H	α-helix	trans	-69.3	-30.8	172.1	-87.1	-166.1	155.9	0	0	113.2	G788 K796	G788-E792 WeakPolarHBondContact O-CB 3.48Å; G788-E792 PolarHBondContact O-N 3.06Å; E792-K796 WeakPolarHBondContact O-CB 3.32Å; E792-K796 WeakPolarHBondContact O-CG 3.36Å; E792-K796 PolarHBondContact O-N 2.79Å; E792-K796 VanDerWaalsContact O-N 3.13Å
793	K	58.3	Low	55.7	Low	140 Å²	140	121.1 Å²	121.1	61%	0.609	57%	0.567	S	S	*	*	H	α-helix	trans	-71.7	-41.6	171.2	-83.1	-179.6	176.7	-179.5	0	111.7	E789 K796 E797	E789-K793 VanDerWaalsContact O-CB 3.29Å; E789-K793 WeakPolarHBondContact O-CB 3.42Å; E789-K793 VanDerWaalsContact O-CG 3.27Å; E789-K793 WeakPolarHBondContact O-CG 3.28Å; E789-K793 PolarHBondContact O-N 3.34Å; E789-K793 VanDerWaalsContact O-N 3.08Å; K793-K796 PolarHBondContact O-N 3.5Å; K793-E797 PolarHBondContact O-N 2.99Å
794	G	64.8	Low	56.3	Low	33 Å²	33	121.6 Å²	121.6	34%	0.34	57%	0.571	S	S	.	*	H	α-helix	trans	-61.9	-43.7	174.1	0	0	0	0	0	112.7	K790 E791 K796 E797 E798	K790-G794 PolarHBondContact O-N 2.91Å; E791-G794 PolarHBondContact O-N 3.09Å; G794-K796 VanDerWaalsContact C-N 3.32Å; G794-K796 PolarHBondContact O-N 2.95Å; G794-E797 PolarHBondContact O-N 3.12Å; G794-E798 WeakPolarHBondContact O-CB 3.36Å; G794-E798 PolarHBondContact O-N 2.94Å
795	E	59.6	Low	56.7	Low	118 Å²	118	123 Å²	123	55%	0.551	57%	0.574	S	S	*	*	H	α-helix	trans	-69.9	-25.6	175.8	-82.1	-161.9	172.3	0	0	113.7	E791 K799	E791-E795 PolarHBondContact O-N 3.3Å; E795-K799 VanDerWaalsContact O-CB 3.32Å; E795-K799 WeakPolarHBondContact O-CB 3.28Å; E795-K799 WeakPolarHBondContact O-CD 3.17Å; E795-K799 VanDerWaalsContact O-CG 3.28Å; E795-K799 WeakPolarHBondContact O-CG 3.36Å; E795-K799 PolarHBondContact O-N 2.74Å; E795-K799 IonicContact OE2-NZ 2.78Å
796	K	58.8	Low	57	Low	138 Å²	138	122.8 Å²	122.8	60%	0.6	57%	0.573	S	S	*	*	H	α-helix	trans	-76.7	-42.7	173.5	-84.3	178.4	178.5	170.9	0	111.8	E792 K793 G794 K799 E800	E792-K796 WeakPolarHBondContact O-CB 3.32Å; E792-K796 WeakPolarHBondContact O-CG 3.36Å; E792-K796 PolarHBondContact O-N 2.79Å; E792-K796 VanDerWaalsContact O-N 3.13Å; K793-K796 PolarHBondContact O-N 3.5Å; G794-K796 VanDerWaalsContact C-N 3.32Å; G794-K796 PolarHBondContact O-N 2.95Å; K796-K799 PolarHBondContact O-N 3.01Å; K796-E800 PolarHBondContact O-N 3.41Å
797	E	63	Low	57.1	Low	131 Å²	131	123.8 Å²	123.8	61%	0.612	58%	0.578	S	S	*	*	H	α-helix	trans	-63.3	-41.5	174.2	-75.2	175.5	177	0	0	110.9	K793 G794 K799 E800 E801	K793-E797 PolarHBondContact O-N 2.99Å; G794-E797 PolarHBondContact O-N 3.12Å; E797-K799 VanDerWaalsContact C-N 3.31Å; E797-K799 PolarHBondContact O-N 3.03Å; E797-E800 PolarHBondContact O-N 2.83Å; E797-E801 PolarHBondContact O-N 2.89Å
798	E	62.7	Low	57.3	Low	104 Å²	104	123.9 Å²	123.9	49%	0.486	58%	0.58	S	S	.	*	H	α-helix	trans	-70.8	-23.2	177.3	-139.6	-164.6	146.1	0	0	113.4	G794 K802	G794-E798 WeakPolarHBondContact O-CB 3.36Å; G794-E798 PolarHBondContact O-N 2.94Å; E798-K802 WeakPolarHBondContact O-CB 3.42Å; E798-K802 WeakPolarHBondContact O-CG 3.4Å; E798-K802 PolarHBondContact O-N 3.39Å; E798-K802 IonicContact OE1-NZ 2.8Å; E798-K802 PolarHBondContact OE1-NZ 3.15Å
799	K	61.3	Low	57.2	Low	132 Å²	132	129.5 Å²	129.5	57%	0.574	60%	0.599	S	S	*	*	H	α-helix	trans	-85.9	-24.4	172.9	-81.2	174	-177	155.2	0	113	E795 K796 E797 K803	E795-K799 VanDerWaalsContact O-CB 3.32Å; E795-K799 WeakPolarHBondContact O-CB 3.28Å; E795-K799 WeakPolarHBondContact O-CD 3.17Å; E795-K799 VanDerWaalsContact O-CG 3.28Å; E795-K799 WeakPolarHBondContact O-CG 3.36Å; E795-K799 PolarHBondContact O-N 2.74Å; E795-K799 IonicContact OE2-NZ 2.78Å; K796-K799 PolarHBondContact O-N 3.01Å; E797-K799 VanDerWaalsContact C-N 3.31Å; E797-K799 PolarHBondContact O-N 3.03Å; K799-K803 WeakPolarHBondContact O-CB 3.26Å; K799-K803 PolarHBondContact O-N 2.94Å
800	E	61.2	Low	57.2	Low	130 Å²	130	131.4 Å²	131.4	61%	0.607	61%	0.607	S	S	*	*	H	α-helix	trans	-77.9	-43.6	171.2	-80.5	-179.2	164.2	0	0	110.8	K796 E797 K802 K803 E804	K796-E800 PolarHBondContact O-N 3.41Å; E797-E800 PolarHBondContact O-N 2.83Å; E800-K802 PolarHBondContact O-N 2.86Å; E800-K803 CarbonylContact O-C 3.5Å; E800-K803 WeakPolarHBondContact O-CA 3.22Å; E800-K803 WeakPolarHBondContact O-CB 3.46Å; E800-K803 PolarHBondContact O-N 3.05Å; E800-E804 PolarHBondContact O-N 3.19Å
801	E	62	Low	56.9	Low	130 Å²	130	127.9 Å²	127.9	61%	0.607	60%	0.604	S	S	*	*	H	α-helix	trans	-61	-42.3	172.9	-80.3	-175.9	158	0	0	112.1	E797 K803 E804 E805	E797-E801 PolarHBondContact O-N 2.89Å; E801-K803 PolarHBondContact O-N 2.98Å; E801-E804 PolarHBondContact O-N 2.64Å; E801-E805 PolarHBondContact O-N 3.13Å
802	K	60.6	Low	56.4	Low	110 Å²	110	129.6 Å²	129.6	48%	0.478	61%	0.612	S	S	.	*	H	α-helix	trans	-70.1	-14.6	174.3	-76.9	173.6	-177.5	148.2	0	114.2	E798 E800 K806	E798-K802 WeakPolarHBondContact O-CB 3.42Å; E798-K802 WeakPolarHBondContact O-CG 3.4Å; E798-K802 PolarHBondContact O-N 3.39Å; E798-K802 IonicContact OE1-NZ 2.8Å; E798-K802 PolarHBondContact OE1-NZ 3.15Å; E800-K802 PolarHBondContact O-N 2.86Å; K802-K806 WeakPolarHBondContact O-CG 3.4Å
803	K	56.5	Low	55.5	Low	149 Å²	149	133.9 Å²	133.9	65%	0.648	64%	0.638	S	S	*	*	H	α-helix	trans	-89.3	-34.1	172.1	-94.7	-177	172.8	-176.7	0	111.7	K799 E800 E801 Q807	K799-K803 WeakPolarHBondContact O-CB 3.26Å; K799-K803 PolarHBondContact O-N 2.94Å; E800-K803 CarbonylContact O-C 3.5Å; E800-K803 WeakPolarHBondContact O-CA 3.22Å; E800-K803 WeakPolarHBondContact O-CB 3.46Å; E800-K803 PolarHBondContact O-N 3.05Å; E801-K803 PolarHBondContact O-N 2.98Å; K803-Q807 WeakPolarHBondContact O-CB 3.46Å; K803-Q807 WeakPolarHBondContact O-CG 3.24Å; K803-Q807 PolarHBondContact O-N 3.23Å; K803-Q807 VanDerWaalsContact O-N 3.09Å
804	E	56.7	Low	55.3	Low	131 Å²	131	133.6 Å²	133.6	61%	0.612	64%	0.639	S	S	*	*	H	α-helix	trans	-71.3	-42.4	173.3	-74.1	-174.7	159	0	0	111.4	E800 E801 K806 Q807 E808	E800-E804 PolarHBondContact O-N 3.19Å; E801-E804 PolarHBondContact O-N 2.64Å; E804-K806 VanDerWaalsContact C-N 3.29Å; E804-K806 PolarHBondContact O-N 2.85Å; E804-Q807 PolarHBondContact O-N 2.85Å; E804-E808 PolarHBondContact O-N 3.42Å
805	E	55	Low	54.8	Low	135 Å²	135	138.9 Å²	138.9	63%	0.631	66%	0.655	S	S	*	*	H	α-helix	trans	-62	-34.4	173.3	-83.2	-174.3	151.6	0	0	112.5	E801 E809	E801-E805 PolarHBondContact O-N 3.13Å; E805-E809 PolarHBondContact O-N 3.41Å; E805-E809 VanDerWaalsContact O-N 3.1Å
806	K	53.2	Low	54.6	Low	147 Å²	147	140.1 Å²	140.1	64%	0.639	66%	0.66	S	S	*	*	H	α-helix	trans	-79.1	-15.5	175.1	-79.6	-174.4	175.9	-176	0	114.3	K802 E804	K802-K806 WeakPolarHBondContact O-CG 3.4Å; E804-K806 VanDerWaalsContact C-N 3.29Å; E804-K806 PolarHBondContact O-N 2.85Å
807	Q	51.3	Low	54.3	Low	146 Å²	146	140.2 Å²	140.2	68%	0.682	66%	0.664	S	S	*	*	H	α-helix	trans	-89.6	-28.1	172	-83.2	-177	-26	0	0	111.7	K803 E804	K803-Q807 WeakPolarHBondContact O-CB 3.46Å; K803-Q807 WeakPolarHBondContact O-CG 3.24Å; K803-Q807 PolarHBondContact O-N 3.23Å; K803-Q807 VanDerWaalsContact O-N 3.09Å; E804-Q807 PolarHBondContact O-N 2.85Å
808	E	52.7	Low	53.8	Low	143 Å²	143	140.8 Å²	140.8	67%	0.668	67%	0.667	S	S	*	*	H	α-helix	trans	-75.4	-39.2	171.4	-74	-172.2	153.9	0	0	112.3	E804 H810 S811	E804-E808 PolarHBondContact O-N 3.42Å; E808-H810 PolarHBondContact O-N 3.03Å; E808-S811 PolarHBondContact O-N 2.87Å; E808-S811 VanDerWaalsContact O-N 3.08Å; E808-S811 PolarHBondContact O-OG 2.61Å
809	E	49.6	Very low	53.2	Low	147 Å²	147	143.2 Å²	143.2	69%	0.687	68%	0.679	S	S	*	*	T	Hydrogen-bonded Turn	trans	-67.7	-18.6	174.4	-87.9	-171	152.3	0	0	114.1	E805	E805-E809 PolarHBondContact O-N 3.41Å; E805-E809 VanDerWaalsContact O-N 3.1Å
810	H	51	Low	52.6	Low	160 Å²	160	144 Å²	144	74%	0.741	69%	0.687	S	S	*	*	T	Hydrogen-bonded Turn	trans	-92.8	3.5	174.2	-100.3	-64.4	0	0	0	113.7	E808	E808-H810 PolarHBondContact O-N 3.03Å
811	S	49	Very low	52	Low	92 Å²	92	145.1 Å²	145.1	64%	0.643	69%	0.693	S	S	*	*	S	Bend	trans	-105.8	-1.2	175.8	74.2	0	0	0	0	114.4	E808	E808-S811 PolarHBondContact O-N 2.87Å; E808-S811 VanDerWaalsContact O-N 3.08Å; E808-S811 PolarHBondContact O-OG 2.61Å
812	E	42.5	Very low	51.1	Low	181 Å²	181	146.3 Å²	146.3	85%	0.846	70%	0.7	S	S	*	*			trans	-117.2	21.7	177.1	-72.4	-164.3	149.4	0	0	114.4
813	L	35.5	Very low	50.3	Low	215 Å²	215	149.6 Å²	149.6	100%	1.126	72%	0.72	S	S	*	*			trans	-129.3	0	174.4	-90.9	164.7	0	0	0	113.5

Retrieved 813 of 813 residues in 2239.8 ms (Link to these results)

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