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TGF-beta receptor type-2

Transmembrane serine/threonine kinase forming with the TGF-beta type I serine/threonine kinase receptor, TGFBR1, the non-promiscuous receptor for the TGF-beta cytokines TGFB1, TGFB2 and TGFB3. Transduces the TGFB1, TGFB2 and TGFB3 signal from the cell surface to the cytoplasm and is thus regulating a plethora of physiological and pathological processes including cell cycle arrest in epithelial and hematopoietic cells, control of mesenchymal cell proliferation and differentiation, wound healing, extracellular matrix production, immunosuppression and carcinogenesis. The formation of the receptor complex composed of 2 TGFBR1 and 2 TGFBR2 molecules symmetrically bound to the cytokine dimer results in the phosphorylation and the activation of TGFRB1 by the constitutively active TGFBR2. Activated TGFBR1 phosphorylates SMAD2 which dissociates from the receptor and interacts with SMAD4. The SMAD2-SMAD4 complex is subsequently translocated to the nucleus where it modulates the transcription of the TGF-beta-regulated genes. This constitutes the canonical SMAD-dependent TGF-beta signaling cascade. Also involved in non-canonical, SMAD-independent TGF-beta signaling pathways.

AlphaFold DB , UniProt , Accession A0A2K5NAD4, Species CERAT (Cercocebus atys, Sooty mangabey), Gene TGFBR2, Length 592 aa.

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(Predicted Aligned Error values between residue pairs)

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Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	37.1	Very low	39.3	Very low	253 Å²	253	166.6 Å²	166.6	100%	1.246	88%	0.879	S	S	*	*				0	124.5	0	-71.5	168.6	167.1	0	0	106.5
2	G	32.3	Very low	39.2	Very low	81 Å²	81	165.2 Å²	165.2	84%	0.835	87%	0.871	S	S	*	*			cis	-137.9	147.8	2.7	0	0	0	0	0	110.6
3	R	38.8	Very low	39.2	Very low	254 Å²	254	164.4 Å²	164.4	96%	0.958	86%	0.859	S	S	*	*			trans	-73.2	145.4	164.6	-67.1	174.5	175.2	-171.9	-3.3	108.3
4	G	44.3	Very low	39.6	Very low	68 Å²	68	160.5 Å²	160.5	70%	0.701	84%	0.838	S	S	*	*			trans	121.3	94	159.2	0	0	0	0	0	113.6
5	L	36	Very low	39.8	Very low	177 Å²	177	155.8 Å²	155.8	93%	0.927	82%	0.819	S	S	*	*			trans	178.6	59.2	140.2	-110.1	116.3	0	0	0	109.1
6	L	36.5	Very low	39.6	Very low	180 Å²	180	154.4 Å²	154.4	94%	0.942	81%	0.811	S	S	*	*			trans	-138.9	63.4	166.5	-85.5	170.4	0	0	0	108.3
7	R	43.4	Very low	39.3	Very low	256 Å²	256	157.1 Å²	157.1	97%	0.966	81%	0.808	S	S	*	*			trans	-147.7	115.6	164.3	-84.1	-167.8	175.1	-176.5	-2.9	108.1
8	G	43.7	Very low	39.2	Very low	69 Å²	69	153.6 Å²	153.6	71%	0.711	80%	0.795	S	S	*	*	S	Bend	trans	119.6	78.3	171.3	0	0	0	0	0	112.1
9	L	39.9	Very low	39	Very low	176 Å²	176	156.5 Å²	156.5	92%	0.921	80%	0.795	S	S	*	*	S	Bend	trans	-172.6	28.7	148.8	-99.1	167.4	0	0	0	112.1
10	W	38.1	Very low	38.9	Very low	224 Å²	224	154.9 Å²	154.9	85%	0.848	79%	0.787	S	S	*	*	S	Bend	trans	-119	5.9	177.5	-131.8	-32.6	0	0	0	118.1
11	P	41.8	Very low	38.7	Very low	95 Å²	95	151.5 Å²	151.5	62%	0.617	78%	0.783	S	S	*	*	S	Bend	trans	-108.8	18	175.8	38.7	-31.6	0	0	0	116.5
12	L	38.4	Very low	38.6	Very low	149 Å²	149	143.5 Å²	143.5	78%	0.78	75%	0.751	S	S	*	*	S	Bend	trans	-107.2	-17	178	-92.5	152.9	0	0	0	115.4
13	H	39.7	Very low	38.7	Very low	155 Å²	155	145.3 Å²	145.3	72%	0.718	75%	0.746	S	S	*	*	S	Bend	trans	-88.3	-19.5	178.7	-117.1	-88.1	0	0	0	114.1
14	I	43.8	Very low	38.4	Very low	110 Å²	110	140.2 Å²	140.2	56%	0.564	74%	0.737	S	S	*	*	H	α-helix	trans	-85.9	-24.3	-177.9	-68.2	170.8	0	0	0	112.1	T18	I14-T18 PolarHBondContact O-N 3.29Å; I14-T18 PolarHBondContact O-OG1 3.45Å
15	V	43.1	Very low	37.8	Very low	90 Å²	90	142.4 Å²	142.4	55%	0.545	74%	0.739	S	S	.	*	H	α-helix	trans	-79.9	-21.7	-179	-178.7	0	0	0	0	112.4
16	L	36.8	Very low	37.7	Very low	133 Å²	133	139.1 Å²	139.1	70%	0.696	73%	0.728	S	S	*	*	H	α-helix	trans	-84.2	-27.3	177.8	-141	77.3	0	0	0	112.9
17	W	34.1	Very low	37.3	Very low	201 Å²	201	138.4 Å²	138.4	76%	0.761	72%	0.719	S	S	*	*	H	α-helix	trans	-85.1	-21.2	177.6	-90.4	73.2	0	0	0	113.9	R19	W17-R19 VanDerWaalsContact C-N 3.35Å
18	T	38.2	Very low	36.5	Very low	93 Å²	93	132.3 Å²	132.3	57%	0.571	71%	0.71	S	S	*	*	T	Hydrogen-bonded Turn	trans	-80	-13.3	174.8	26.3	0	0	0	0	113.8	I14 S22	I14-T18 PolarHBondContact O-N 3.29Å; I14-T18 PolarHBondContact O-OG1 3.45Å; T18-S22 PolarHBondContact O-OG 3.05Å
19	R	36	Very low	35.7	Very low	209 Å²	209	136.8 Å²	136.8	79%	0.789	71%	0.712	S	S	*	*	T	Hydrogen-bonded Turn	trans	-94.1	-8	177.5	-89.1	-169.4	173.5	-169.3	-1	115.6	W17 S22	W17-R19 VanDerWaalsContact C-N 3.35Å; R19-S22 PolarHBondContact O-OG 3.45Å
20	I	35.2	Very low	35.3	Very low	125 Å²	125	138 Å²	138	64%	0.641	71%	0.71	S	S	*	*	T	Hydrogen-bonded Turn	trans	-95.9	-25.7	175.5	-62.4	175.6	0	0	0	111.1	S22	I20-S22 PolarHBondContact O-N 3.11Å
21	A	35.8	Very low	34.7	Very low	84 Å²	84	132.4 Å²	132.4	69%	0.694	71%	0.705	S	S	*	*	T	Hydrogen-bonded Turn	trans	-78.3	5.1	176.3	0	0	0	0	0	114.6
22	S	34.7	Very low	34.1	Very low	84 Å²	84	135.4 Å²	135.4	59%	0.587	72%	0.716	S	S	*	*	T	Hydrogen-bonded Turn	trans	-112.4	11.1	-174.3	27.5	0	0	0	0	115.2	T18 R19 I20	T18-S22 PolarHBondContact O-OG 3.05Å; R19-S22 PolarHBondContact O-OG 3.45Å; I20-S22 PolarHBondContact O-N 3.11Å
23	T	33.4	Very low	33.4	Very low	119 Å²	119	134 Å²	134	73%	0.73	71%	0.714	S	S	*	*	S	Bend	trans	-115.6	16.3	179.1	30.5	0	0	0	0	115.1
24	I	34	Very low	32.8	Very low	148 Å²	148	136 Å²	136	76%	0.759	72%	0.723	S	S	*	*	P	Polyproline II helix	trans	-103.4	117	173.5	-54.9	176.3	0	0	0	108.5
25	P	31.1	Very low	31.8	Very low	114 Å²	114	138.7 Å²	138.7	74%	0.74	74%	0.736	S	S	*	*	P	Polyproline II helix	trans	-73.4	146.9	175.1	20.3	-16.7	0	0	0	111.7
26	P	34.1	Very low	31	Very low	108 Å²	108	142.7 Å²	142.7	70%	0.701	75%	0.748	S	S	*	*	P	Polyproline II helix	trans	-96.3	160.1	-177	37.3	-32.7	0	0	0	113.8
27	H	28.5	Very low	30.4	Very low	165 Å²	165	141.3 Å²	141.3	76%	0.764	76%	0.756	S	S	*	*			trans	78.7	134.3	173.2	-70.8	-79.2	0	0	0	116.2
28	V	26.1	Very low	30.1	Very low	128 Å²	128	140.2 Å²	140.2	78%	0.776	76%	0.759	S	S	*	*				-148.8	115.6	54.3	173.3	0	0	0	0	109.2
29	Q	26.4	Very low	29.8	Very low	162 Å²	162	146 Å²	146	76%	0.757	78%	0.777	S	S	*	*				75.1	121.7	94.1	-143.2	169.5	2.2	0	0	115.5
30	K	31.6	Very low	29.5	Very low	201 Å²	201	139.1 Å²	139.1	87%	0.874	77%	0.77	S	S	*	*			trans	-46.8	137.4	170.1	-76.5	175.5	170	-177.7	0	112
31	S	25.1	Very low	29.3	Very low	107 Å²	107	141.6 Å²	141.6	75%	0.748	78%	0.779	S	S	*	*			trans	-140.3	124.9	149	48.4	0	0	0	0	109.1
32	D	29.2	Very low	29.2	Very low	158 Å²	158	144.8 Å²	144.8	85%	0.845	78%	0.782	S	S	*	*			trans	-63.3	131.8	168.3	-60.2	-59.8	0	0	0	109.1
33	V	24.3	Very low	29.3	Very low	120 Å²	120	146.4 Å²	146.4	73%	0.727	78%	0.782	S	S	*	*			trans	-133	99.7	162.2	179	0	0	0	0	107	M35	V33-M35 HydrophobicContact CG1-CB 4.45Å; V33-M35 PolarHBondContact O-N 3.28Å
34	E	27.6	Very low	29.3	Very low	197 Å²	197	141.6 Å²	141.6	92%	0.921	75%	0.753	S	S	*	*			trans	-55	127.7	150.9	-76	175.2	141.1	0	0	107.9
35	M	23.4	Very low	29.3	Very low	167 Å²	167	140.9 Å²	140.9	82%	0.823	76%	0.758	S	S	*	*			trans	-134	104	165.2	-132.4	179.6	69.3	0	0	109	V33 A37	V33-M35 HydrophobicContact CG1-CB 4.45Å; V33-M35 PolarHBondContact O-N 3.28Å; M35-A37 PolarHBondContact O-N 3.15Å
36	E	25.4	Very low	29.7	Very low	174 Å²	174	140.8 Å²	140.8	81%	0.813	76%	0.76	S	S	*	*			trans	-50.4	121.5	163.6	-70.5	179.5	129.7	0	0	109.8	Q38	E36-Q38 PolarHBondContact O-N 3.18Å; E36-Q38 VanDerWaalsContact O-N 3.15Å
37	A	24.7	Very low	30.2	Very low	103 Å²	103	139.3 Å²	139.3	85%	0.851	75%	0.752	S	S	*	*			trans	-79.6	92.5	166.8	0	0	0	0	0	109.2	M35	M35-A37 PolarHBondContact O-N 3.15Å
38	Q	26.5	Very low	30.4	Very low	178 Å²	178	138.8 Å²	138.8	83%	0.832	75%	0.754	S	S	*	*			trans	-66.1	131	161.4	-87.5	179.4	-12.7	0	0	110.1	E36 G40	E36-Q38 PolarHBondContact O-N 3.18Å; E36-Q38 VanDerWaalsContact O-N 3.15Å; Q38-G40 PolarHBondContact O-N 3.45Å
39	K	32.6	Very low	31.1	Very low	216 Å²	216	137.8 Å²	137.8	94%	0.939	74%	0.737	S	S	*	*			trans	-63.2	124.8	171.6	-77.3	172.2	173.9	173	0	110.6
40	G	29.4	Very low	31.8	Very low	63 Å²	63	133.1 Å²	133.1	65%	0.649	72%	0.719	S	S	*	*			trans	-160.4	119.5	165.2	0	0	0	0	0	111.1	Q38	Q38-G40 PolarHBondContact O-N 3.45Å
41	E	32.3	Very low	32	Very low	178 Å²	178	125.9 Å²	125.9	83%	0.832	70%	0.697	S	S	*	*	P	Polyproline II helix	trans	-68.2	125.6	167.1	-72.3	173.7	157.4	0	0	108.6
42	M	33.6	Very low	32.7	Very low	151 Å²	151	126.7 Å²	126.7	74%	0.744	69%	0.689	S	S	*	*	P	Polyproline II helix	trans	-97.5	123.3	177.8	-97.7	178.1	-86.9	0	0	110.3
43	I	35.9	Very low	33.1	Very low	117 Å²	117	123.8 Å²	123.8	60%	0.6	68%	0.679	S	S	*	*	B	Isolated β-bridge	trans	-100.6	127.5	175.3	-60.3	172.4	0	0	0	108	T50	I43-T50 HydrophobicContact CG1-CG2 4.49Å
44	C	34.6	Very low	33.7	Very low	18 Å²	18	124.8 Å²	124.8	12%	0.122	68%	0.679	C	S	.	*	P	Polyproline II helix	trans	-76.2	122.3	174.3	-174.2	0	0	0	0	110.4	S46 D80	C44-S46 PolarHBondContact O-N 3.39Å; C44-S46 VanDerWaalsContact O-N 3.14Å; C44-D80 PolarHBondContact SG-OD1 3.23Å
45	P	32.3	Very low	34.1	Very low	133 Å²	133	124.6 Å²	124.6	86%	0.864	67%	0.67	S	S	*	*	T	Hydrogen-bonded Turn	trans	-68.1	-13.2	-175.5	-17.4	30.1	0	0	0	114.6
46	S	39.7	Very low	34.6	Very low	112 Å²	112	124.9 Å²	124.9	78%	0.783	67%	0.669	S	S	*	*	T	Hydrogen-bonded Turn	trans	-97.1	-21.8	-169.7	-38	0	0	0	0	114	C44	C44-S46 PolarHBondContact O-N 3.39Å; C44-S46 VanDerWaalsContact O-N 3.14Å
47	C	44.9	Very low	35	Very low	77 Å²	77	122.3 Å²	122.3	52%	0.52	67%	0.67	S	S	.	*	T	Hydrogen-bonded Turn	trans	-133.9	-1.4	-169.9	63.3	0	0	0	0	115.3	R49	C47-R49 PolarHBondContact O-N 2.99Å
48	N	32.7	Very low	35.6	Very low	154 Å²	154	123 Å²	123	82%	0.824	66%	0.66	S	S	*	*			trans	51.9	24.6	177.8	-139	26.6	0	0	0	114.5
49	R	41.7	Very low	36.3	Very low	107 Å²	107	121.6 Å²	121.6	40%	0.404	66%	0.658	S	S	.	*			trans	-114.2	139.3	174.6	-68.2	-161.8	-163.1	170.7	19.6	110.9	C47 E103 E107	C47-R49 PolarHBondContact O-N 2.99Å; R49-E103 IonicContact CZ-OE2 3.91Å; R49-E103 IonicContact NE-OE2 2.82Å; R49-E103 IonicContact NH1-OE2 3.25Å; R49-E103 PolarHBondContact NH1-OE2 3.43Å; R49-E107 IonicContact NH1-OE1 3.96Å
50	T	39.6	Very low	36.8	Very low	64 Å²	64	118.1 Å²	118.1	39%	0.393	65%	0.65	S	S	.	*	B	Isolated β-bridge	trans	-85	129.3	176.3	34.6	0	0	0	0	110.4	I43 H52	I43-T50 HydrophobicContact CG1-CG2 4.49Å; T50-H52 PolarHBondContact O-N 2.98Å
51	A	36.5	Very low	37.8	Very low	50 Å²	50	118.7 Å²	118.7	41%	0.413	64%	0.636	S	S	.	*			trans	-68.9	115.4	166.7	0	0	0	0	0	108.9	P53 F78	A51-P53 VanDerWaalsContact O-CD 3.23Å; A51-P53 WeakPolarHBondContact O-CD 3.48Å; A51-F78 HydrophobicContact CB-CD1 4.44Å; A51-F78 HydrophobicContact CB-CE1 3.87Å; A51-F78 HydrophobicContact CB-CZ 4.37Å
52	H	40.6	Very low	38.7	Very low	124 Å²	124	115.8 Å²	115.8	57%	0.574	62%	0.624	S	S	*	*			trans	-89.8	108	170.8	-73.4	-61.4	0	0	0	109.1	T50 L54	T50-H52 PolarHBondContact O-N 2.98Å; H52-L54 PolarHBondContact O-N 2.99Å
53	P	37.6	Very low	39.5	Very low	97 Å²	97	112 Å²	112	63%	0.63	61%	0.61	S	S	*	*			trans	-61.7	132.6	164.2	25.5	-30.6	0	0	0	107.8	A51 R55	A51-P53 VanDerWaalsContact O-CD 3.23Å; A51-P53 WeakPolarHBondContact O-CD 3.48Å; P53-R55 VanDerWaalsContact C-N 3.34Å; P53-R55 PolarHBondContact O-N 3.44Å
54	L	36.4	Very low	40.1	Very low	140 Å²	140	111 Å²	111	73%	0.733	61%	0.609	S	S	*	*	S	Bend	trans	-22.4	86.8	-177.3	-72.5	162.1	0	0	0	113.3	H52 I101	H52-L54 PolarHBondContact O-N 2.99Å; L54-I101 HydrophobicContact CD2-CD1 3.7Å; L54-I101 HydrophobicContact CD2-CG1 4.04Å
55	R	34.7	Very low	40.8	Very low	193 Å²	193	114.4 Å²	114.4	73%	0.728	63%	0.626	S	S	*	*			trans	-113.1	129.4	171.3	-91.1	-173.3	179	178.2	3.7	106.7	P53	P53-R55 VanDerWaalsContact C-N 3.34Å; P53-R55 PolarHBondContact O-N 3.44Å
56	H	35.8	Very low	41.4	Very low	174 Å²	174	115.9 Å²	115.9	81%	0.806	63%	0.627	S	S	*	*			trans	36	104.1	162	-76.3	-70.5	0	0	0	116.7	N58	H56-N58 PolarHBondContact O-N 3.41Å
57	S	33.8	Very low	41.8	Very low	119 Å²	119	117.5 Å²	117.5	83%	0.832	63%	0.626	S	S	*	*			trans	-58.9	104.2	161.4	-168.9	0	0	0	0	109.3
58	N	36.3	Very low	41.7	Very low	119 Å²	119	116.6 Å²	116.6	64%	0.636	63%	0.63	S	S	*	*			trans	-76	134.9	157.9	-84.9	-14.7	0	0	0	107.3	H56 D60	H56-N58 PolarHBondContact O-N 3.41Å; N58-D60 PolarHBondContact O-N 3.26Å
59	N	40.8	Very low	42.3	Very low	148 Å²	148	112 Å²	112	79%	0.791	61%	0.613	S	S	*	*	T	Hydrogen-bonded Turn	trans	-62	11.7	175	-89	-9.2	0	0	0	114.8
60	D	44.7	Very low	42.8	Very low	143 Å²	143	110.5 Å²	110.5	77%	0.765	62%	0.616	S	S	*	*	T	Hydrogen-bonded Turn	trans	-99	3.4	-172.3	-71.1	-25.5	0	0	0	114.2	N58	N58-D60 PolarHBondContact O-N 3.26Å
61	M	50	Low	43.6	Very low	75 Å²	75	113 Å²	113	37%	0.369	62%	0.621	S	S	.	*			trans	-102.2	6.9	-174.9	-113.2	162.2	71.1	0	0	115.3	P73 I101	M61-P73 HydrophobicContact CE-CB 3.62Å; M61-P73 HydrophobicContact CE-CG 3.73Å; M61-I101 HydrophobicContact CE-CB 4.23Å; M61-I101 HydrophobicContact CE-CG2 3.28Å
62	M	49.7	Very low	44.8	Very low	116 Å²	116	117.7 Å²	117.7	57%	0.571	63%	0.633	S	S	*	*			trans	-91.3	113.6	173.2	-65.9	-171.9	-176	0	0	109.8	V70 F72	M62-V70 HydrophobicContact CB-CG1 4.2Å; M62-V70 HydrophobicContact CG-CG1 4.27Å; M62-V70 HydrophobicContact SD-CG1 4.01Å; M62-F72 HydrophobicContact CE-CE1 4.09Å
63	V	52.2	Low	46.4	Very low	73 Å²	73	113.3 Å²	113.3	44%	0.442	62%	0.615	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-108	127.1	174.3	-179.3	0	0	0	0	108.9	K71 P105	V63-K71 PolarHBondContact O-N 3.34Å; V63-P105 HydrophobicContact CB-CB 4.4Å; V63-P105 HydrophobicContact CB-CG 3.57Å; V63-P105 HydrophobicContact CG1-CG 4.31Å; V63-P105 HydrophobicContact CG2-CG 3.41Å; V63-P105 VanDerWaalsContact CG2-CG 3.41Å
64	T	47.6	Very low	48.6	Very low	95 Å²	95	110.3 Å²	110.3	58%	0.583	59%	0.592	S	S	*	*	E	Extended strand (participates in β ladder)	trans	-79.8	125.3	170.7	39.7	0	0	0	0	109.4	A69 V70	T64-A69 WeakPolarHBondContact CA-O 3.36Å; T64-V70 HydrophobicContact CG2-CG2 4.29Å
65	D	49	Very low	51.3	Low	90 Å²	90	106.4 Å²	106.4	48%	0.481	57%	0.572	S	S	.	*			trans	-67.8	163.7	169.7	-174.9	19.9	0	0	0	110.2	N67 G68 A69	D65-N67 PolarHBondContact O-N 3.33Å; D65-G68 PolarHBondContact O-N 3.2Å; D65-A69 PolarHBondContact N-O 3.42Å
66	N	46.1	Very low	54.1	Low	164 Å²	164	97.2 Å²	97.2	88%	0.877	54%	0.538	S	S	*	.	T	Hydrogen-bonded Turn	trans	-55.6	-12.2	176.3	-73.8	-25.7	0	0	0	113.8
67	N	46.8	Very low	56.8	Low	146 Å²	146	90.2 Å²	90.2	78%	0.781	51%	0.505	S	S	*	.	T	Hydrogen-bonded Turn	trans	-101	6.4	174.7	-70.5	-14.8	0	0	0	114.4	D65 A69	D65-N67 PolarHBondContact O-N 3.33Å; N67-A69 PolarHBondContact O-N 3.35Å
68	G	43.6	Very low	59.7	Low	57 Å²	57	86.2 Å²	86.2	59%	0.588	47%	0.473	S	S	*	.	S	Bend	trans	79.2	8.4	176.7	0	0	0	0	0	115.8	D65	D65-G68 PolarHBondContact O-N 3.2Å
69	A	45.2	Very low	62.2	Low	58 Å²	58	80.9 Å²	80.9	48%	0.479	44%	0.444	S	S	.	.	P	Polyproline II helix	trans	-81.8	129.5	174.3	0	0	0	0	0	110.9	T64 D65 N67 K71	T64-A69 WeakPolarHBondContact CA-O 3.36Å; D65-A69 PolarHBondContact N-O 3.42Å; N67-A69 PolarHBondContact O-N 3.35Å; A69-K71 PolarHBondContact O-N 3.41Å
70	V	51.5	Low	64.5	Low	75 Å²	75	76.6 Å²	76.6	46%	0.455	42%	0.421	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.5	116.7	172.7	179	0	0	0	0	108.2	M62 T64	M62-V70 HydrophobicContact CB-CG1 4.2Å; M62-V70 HydrophobicContact CG-CG1 4.27Å; M62-V70 HydrophobicContact SD-CG1 4.01Å; T64-V70 HydrophobicContact CG2-CG2 4.29Å
71	K	56.5	Low	66.6	Low	117 Å²	117	73.8 Å²	73.8	51%	0.509	41%	0.409	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.3	118.3	178.1	-149.7	-179	-179.6	-156.4	0	109.3	V63 A69 P105	V63-K71 PolarHBondContact O-N 3.34Å; A69-K71 PolarHBondContact O-N 3.41Å; K71-P105 HydrophobicContact CD-CB 4.49Å; K71-P105 PolarHBondContact NZ-O 3.15Å
72	F	63.2	Low	68.4	Low	149 Å²	149	76.5 Å²	76.5	65%	0.654	42%	0.415	S	S	*	.	P	Polyproline II helix	trans	-70.6	146.9	173.8	-68.4	-83.3	0	0	0	110.2	M62 Q74	M62-F72 HydrophobicContact CE-CE1 4.09Å; F72-Q74 PolarHBondContact O-N 2.99Å
73	P	72.9	Confident	70.2	Confident	32 Å²	32	78.3 Å²	78.3	21%	0.208	42%	0.42	C	S	.	.	P	Polyproline II helix	trans	-67.9	132.9	177.1	27.7	-33.2	0	0	0	110.5	M61 I101	M61-P73 HydrophobicContact CE-CB 3.62Å; M61-P73 HydrophobicContact CE-CG 3.73Å; P73-I101 HydrophobicContact CB-CG2 3.57Å; P73-I101 HydrophobicContact CG-CG2 3.72Å
74	Q	84.6	Confident	71.8	Confident	33 Å²	33	75.8 Å²	75.8	15%	0.154	41%	0.406	C	S	.	.	P	Polyproline II helix	trans	-62.5	139.4	-177.5	-176.3	64.1	47.4	0	0	111.2	F72 C102 S164 S165 D166	F72-Q74 PolarHBondContact O-N 2.99Å; Q74-C102 HydrophobicContact CB-CB 4.21Å; Q74-C102 PolarHBondContact O-N 3.48Å; Q74-C102 PolarHBondContact O-SG 2.9Å; Q74-C102 VanDerWaalsContact O-SG 3.39Å; Q74-S164 PolarHBondContact OE1-O 3.46Å; Q74-S165 PolarHBondContact NE2-O 3.4Å; Q74-S165 VanDerWaalsContact NE2-O 3.17Å; Q74-D166 PolarHBondContact NE2-OD1 3.08Å
75	L	91.8	Very high	73.6	Confident	59 Å²	59	77.6 Å²	77.6	31%	0.309	42%	0.417	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.4	130.4	170.9	-61.6	176.3	0	0	0	110.3	T99 I101 C109 D166 E167	L75-T99 HydrophobicContact CB-CG2 4.16Å; L75-I101 HydrophobicContact CD2-CB 4.25Å; L75-I101 HydrophobicContact CD2-CG1 3.66Å; L75-I101 HydrophobicContact CD2-CG2 4.41Å; L75-C109 PolarHBondContact O-SG 3Å; L75-D166 HydrophobicContact CB-CB 4.2Å; L75-D166 PolarHBondContact N-OD1 3.11Å; L75-D166 WeakPolarHBondContact O-CA 3.44Å; L75-E167 PolarHBondContact O-N 2.85Å
76	C	94.1	Very high	75.2	Confident	0 Å²	0	73.7 Å²	73.7	0%	0	40%	0.396	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135	150.2	178	-58.6	0	0	0	0	111.4	T99 S100 C102 C109	C76-T99 CarbonylContact O-C 3.54Å; C76-T99 WeakPolarHBondContact O-CA 3.21Å; C76-S100 PolarHBondContact N-O 3.4Å; C76-S100 PolarHBondContact O-N 3.18Å; C76-C102 PolarHBondContact SG-SG 3.39Å; C76-C109 WeakPolarHBondContact CA-SG 3.32Å; C76-C109 HydrophobicContact CB-CB 3.71Å; C76-C109 WeakPolarHBondContact CB-SG 3.37Å; C76-C109 WeakPolarHBondContact SG-CA 3.38Å; C76-C109 WeakPolarHBondContact SG-CB 3.48Å; C76-C109 PolarHBondContact SG-N 3.03Å; C76-C109 VanDerWaalsContact SG-N 3.4Å; C76-C109 CovalentContact SG-SG 2.03Å; C76-C109 PolarHBondContact SG-SG 3.17Å
77	K	93.9	Very high	76.7	Confident	26 Å²	26	69.7 Å²	69.7	11%	0.113	38%	0.375	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-64.3	142.7	164.7	-66.8	-56.9	-174.9	-162.6	0	109.8	C96 T99 T124 E167 N169 D170	K77-C96 HydrophobicContact CB-CB 4.32Å; K77-T99 PolarHBondContact NZ-OG1 3.42Å; K77-T99 VanDerWaalsContact NZ-OG1 3.14Å; K77-T124 VanDerWaalsContact C-OG1 3.24Å; K77-T124 CarbonylContact O-C 3.56Å; K77-T124 WeakPolarHBondContact O-CB 3.44Å; K77-T124 PolarHBondContact O-OG1 2.73Å; K77-T124 VanDerWaalsContact O-OG1 3.09Å; K77-E167 WeakPolarHBondContact CE-OE2 3.21Å; K77-E167 HydrophobicContact CG-CB 4.35Å; K77-E167 IonicContact NZ-OE1 3.14Å; K77-E167 PolarHBondContact NZ-OE1 2.95Å; K77-E167 IonicContact NZ-OE2 2.95Å; K77-E167 PolarHBondContact NZ-OE2 3.21Å; K77-N169 PolarHBondContact N-OD1 2.88Å; K77-N169 PolarHBondContact O-ND2 3.42Å; K77-D170 HydrophobicContact CD-CB 4.48Å; K77-D170 WeakPolarHBondContact CE-OD2 3.31Å; K77-D170 HydrophobicContact CG-CB 3.59Å
78	F	93.3	Very high	78.1	Confident	36 Å²	36	65.8 Å²	65.8	16%	0.158	35%	0.354	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.6	130.2	178.9	-179.7	-93.6	0	0	0	111.5	A51 I98 T124 V125	A51-F78 HydrophobicContact CB-CD1 4.44Å; A51-F78 HydrophobicContact CB-CE1 3.87Å; A51-F78 HydrophobicContact CB-CZ 4.37Å; F78-I98 HydrophobicContact CB-CG2 4.47Å; F78-I98 PolarHBondContact N-O 2.82Å; F78-T124 WeakPolarHBondContact CA-O 3.44Å; F78-T124 WeakPolarHBondContact CA-OG1 3.42Å; F78-T124 PolarHBondContact N-OG1 2.73Å; F78-V125 HydrophobicContact CD2-CG2 4.35Å; F78-V125 HydrophobicContact CE2-CG2 4.19Å
79	C	89.3	Confident	79.4	Confident	6 Å²	6	69.9 Å²	69.9	4%	0.041	36%	0.358	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-160.8	136.9	166.9	48.9	0	0	0	0	109.1	C96 T124	C79-C96 HydrophobicContact CB-CB 3.57Å; C79-C96 WeakPolarHBondContact CB-SG 3.39Å; C79-C96 WeakPolarHBondContact SG-CB 3.31Å; C79-C96 CovalentContact SG-SG 2.02Å; C79-C96 PolarHBondContact SG-SG 2.84Å; C79-T124 PolarHBondContact N-O 3.5Å; C79-T124 VanDerWaalsContact N-O 3.11Å; C79-T124 PolarHBondContact N-OG1 2.84Å; C79-T124 VanDerWaalsContact N-OG1 3.14Å; C79-T124 PolarHBondContact O-N 3.18Å; C79-T124 VanDerWaalsContact O-N 3.08Å; C79-T124 PolarHBondContact SG-OG1 3.27Å
80	D	88.7	Confident	81.1	Confident	59 Å²	59	73.2 Å²	73.2	32%	0.316	36%	0.362	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-61	169.3	164.1	-65.7	-57.4	0	0	0	110.7	C44 R82	C44-D80 PolarHBondContact SG-OD1 3.23Å; D80-R82 WeakPolarHBondContact O-CG 3.48Å; D80-R82 PolarHBondContact O-N 3.18Å; D80-R82 VanDerWaalsContact O-N 3.09Å
81	V	89.6	Confident	82.8	Confident	83 Å²	83	73.1 Å²	73.1	50%	0.503	36%	0.364	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-50.8	117.3	178.9	-175	0	0	0	0	110.9	T121 L122 E123	V81-T121 HydrophobicContact CG1-CG2 4.13Å; V81-L122 WeakPolarHBondContact CA-O 3.47Å; V81-E123 HydrophobicContact CG2-CB 4.27Å; V81-E123 WeakPolarHBondContact CG2-OE2 3.3Å
82	R	86.7	Confident	84.3	Confident	132 Å²	132	68.6 Å²	68.6	50%	0.498	35%	0.347	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-133	157.2	-179.9	-76.9	178.8	179.4	-158.5	-0.6	111.4	D80 T121 L122	D80-R82 WeakPolarHBondContact O-CG 3.48Å; D80-R82 PolarHBondContact O-N 3.18Å; D80-R82 VanDerWaalsContact O-N 3.09Å; R82-T121 CarbonylContact O-C 3.6Å; R82-T121 WeakPolarHBondContact O-CA 3.47Å; R82-T121 WeakPolarHBondContact O-CB 3.36Å; R82-L122 PolarHBondContact N-O 3.17Å; R82-L122 PolarHBondContact O-N 3.09Å
83	F	88.2	Confident	85.5	Confident	155 Å²	155	66 Å²	66	68%	0.68	34%	0.34	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-66	140.5	171.6	-68.2	-70.4	0	0	0	110.8	N119 I120 T121	F83-N119 HydrophobicContact CD1-CB 4.36Å; F83-N119 HydrophobicContact CE1-CB 3.93Å; F83-I120 WeakPolarHBondContact CA-O 3.36Å; F83-T121 HydrophobicContact CD1-CG2 4.26Å; F83-T121 HydrophobicContact CE1-CG2 4.44Å
84	S	86.2	Confident	86.3	Confident	20 Å²	20	64.8 Å²	64.8	14%	0.14	33%	0.332	C	S	.	.			trans	-132.9	145.2	176.9	-177.4	0	0	0	0	110.6	C86 I120	S84-C86 VanDerWaalsContact C-N 3.29Å; S84-C86 VanDerWaalsContact OG-CB 3.27Å; S84-C86 WeakPolarHBondContact OG-CB 3.36Å; S84-C86 PolarHBondContact OG-N 3.23Å; S84-C86 VanDerWaalsContact OG-N 3.11Å; S84-I120 PolarHBondContact N-O 3.24Å; S84-I120 WeakPolarHBondContact O-CB 3.38Å
85	T	84.6	Confident	86.5	Confident	132 Å²	132	68.8 Å²	68.8	81%	0.81	36%	0.355	S	S	*	.			trans	-90.9	4.1	170.9	56.9	0	0	0	0	112	D87	T85-D87 PolarHBondContact O-N 3.16Å; T85-D87 VanDerWaalsContact O-N 3.13Å
86	C	83.4	Confident	86.2	Confident	8 Å²	8	66.5 Å²	66.5	5%	0.054	34%	0.343	C	S	.	.			trans	-67.4	108.2	179.2	170.9	0	0	0	0	110.7	S84 C92 W113	S84-C86 VanDerWaalsContact C-N 3.29Å; S84-C86 VanDerWaalsContact OG-CB 3.27Å; S84-C86 WeakPolarHBondContact OG-CB 3.36Å; S84-C86 PolarHBondContact OG-N 3.23Å; S84-C86 VanDerWaalsContact OG-N 3.11Å; C86-C92 HydrophobicContact CB-CB 3.56Å; C86-C92 WeakPolarHBondContact CB-SG 3.46Å; C86-C92 WeakPolarHBondContact SG-CB 3.38Å; C86-C92 CovalentContact SG-SG 2.01Å; C86-C92 PolarHBondContact SG-SG 3.37Å; C86-W113 PolarHBondContact O-NE1 2.73Å
87	D	77.1	Confident	85.7	Confident	81 Å²	81	71.4 Å²	71.4	43%	0.433	38%	0.377	S	S	.	.			trans	-74.1	150.5	167	68.6	34.1	0	0	0	110.7	T85 Q89	T85-D87 PolarHBondContact O-N 3.16Å; T85-D87 VanDerWaalsContact O-N 3.13Å; D87-Q89 HydrophobicContact CB-CG 4.41Å; D87-Q89 PolarHBondContact O-N 3.27Å; D87-Q89 VanDerWaalsContact O-N 3.11Å; D87-Q89 WeakPolarHBondContact OD1-CB 3.35Å; D87-Q89 PolarHBondContact OD1-N 3.43Å
88	N	75.1	Confident	85.3	Confident	63 Å²	63	73.8 Å²	73.8	34%	0.337	39%	0.391	S	S	.	.	T	Hydrogen-bonded Turn	trans	-80.8	23.4	-178.9	63.4	-20.5	0	0	0	112.7	W113 F174	N88-W113 HydrophobicContact CB-CH2 3.76Å; N88-W113 HydrophobicContact CB-CZ2 3.87Å; N88-W113 HydrophobicContact CB-CZ3 4.3Å; N88-F174 HydrophobicContact CB-CD1 3.81Å; N88-F174 HydrophobicContact CB-CE1 3.88Å; N88-F174 HydrophobicContact CB-CG 4.16Å; N88-F174 HydrophobicContact CB-CZ 4.31Å
89	Q	71.9	Confident	85.2	Confident	143 Å²	143	73.9 Å²	73.9	67%	0.668	39%	0.394	S	S	*	.	T	Hydrogen-bonded Turn	trans	-91	-25.7	-173.9	-61.3	-169.6	-4.6	0	0	113.8	D87	D87-Q89 HydrophobicContact CB-CG 4.41Å; D87-Q89 PolarHBondContact O-N 3.27Å; D87-Q89 VanDerWaalsContact O-N 3.11Å; D87-Q89 WeakPolarHBondContact OD1-CB 3.35Å; D87-Q89 PolarHBondContact OD1-N 3.43Å
90	K	80.1	Confident	85	Confident	129 Å²	129	75 Å²	75	56%	0.561	40%	0.403	S	S	*	.	S	Bend	trans	-144.4	-127.5	-175.1	-67.2	-171.7	175.5	-172	0	112.7	F174	K90-F174 WeakPolarHBondContact O-CB 3.39Å; K90-F174 WeakPolarHBondContact O-CD2 3.47Å; K90-F174 PolarHBondContact O-N 3.04Å
91	S	86.9	Confident	85.1	Confident	73 Å²	73	75.3 Å²	75.3	51%	0.51	40%	0.403	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.8	150.9	170.5	55.1	0	0	0	0	109.8	I172	S91-I172 CarbonylContact C-O 3.58Å; S91-I172 WeakPolarHBondContact CA-O 3.3Å; S91-I172 VanDerWaalsContact CB-O 3.32Å; S91-I172 WeakPolarHBondContact CB-O 3.23Å
92	C	88	Confident	85	Confident	22 Å²	22	71.4 Å²	71.4	15%	0.149	38%	0.38	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-147.6	159.6	-178	67	0	0	0	0	111.3	C86 I172	C86-C92 HydrophobicContact CB-CB 3.56Å; C86-C92 WeakPolarHBondContact CB-SG 3.46Å; C86-C92 WeakPolarHBondContact SG-CB 3.38Å; C86-C92 CovalentContact SG-SG 2.01Å; C86-C92 PolarHBondContact SG-SG 3.37Å; C92-I172 PolarHBondContact N-O 3.46Å; C92-I172 PolarHBondContact O-N 3.16Å
93	L	89.9	Confident	84.8	Confident	94 Å²	94	69.8 Å²	69.8	49%	0.492	38%	0.378	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.8	147.8	172.6	-65.8	175.2	0	0	0	111.1	N95 D170 N171	L93-N95 PolarHBondContact O-N 3.39Å; L93-D170 CarbonylContact C-O 3.47Å; L93-D170 VanDerWaalsContact CA-O 3.23Å; L93-D170 WeakPolarHBondContact CA-O 3.3Å; L93-N171 HydrophobicContact CD2-CB 4.48Å
94	S	89.1	Confident	84.6	Confident	7 Å²	7	66.1 Å²	66.1	5%	0.049	36%	0.362	C	S	.	.			trans	-68.3	-28.2	177.5	78.2	0	0	0	0	112.3	C96 L122 D170	S94-C96 PolarHBondContact O-N 3.22Å; S94-C96 PolarHBondContact O-SG 3.49Å; S94-C96 PolarHBondContact OG-N 2.66Å; S94-L122 WeakPolarHBondContact O-CD2 3.49Å; S94-D170 WeakPolarHBondContact CB-OD1 3.49Å; S94-D170 PolarHBondContact N-O 2.98Å; S94-D170 PolarHBondContact N-OD1 2.8Å; S94-D170 PolarHBondContact OG-OD1 3.05Å
95	N	87.9	Confident	84.3	Confident	117 Å²	117	66.6 Å²	66.6	63%	0.626	36%	0.364	S	S	*	.			trans	57	26.7	-173.4	-63	-32.1	0	0	0	113.4	L93	L93-N95 PolarHBondContact O-N 3.39Å
96	C	86.9	Confident	84.4	Confident	10 Å²	10	63.9 Å²	63.9	7%	0.068	34%	0.342	C	S	.	.			trans	-87	120.3	177.1	-61.5	0	0	0	0	109.8	K77 C79 S94 I98	K77-C96 HydrophobicContact CB-CB 4.32Å; C79-C96 HydrophobicContact CB-CB 3.57Å; C79-C96 WeakPolarHBondContact CB-SG 3.39Å; C79-C96 WeakPolarHBondContact SG-CB 3.31Å; C79-C96 CovalentContact SG-SG 2.02Å; C79-C96 PolarHBondContact SG-SG 2.84Å; S94-C96 PolarHBondContact O-N 3.22Å; S94-C96 PolarHBondContact O-SG 3.49Å; S94-C96 PolarHBondContact OG-N 2.66Å; C96-I98 VanDerWaalsContact C-N 3.3Å; C96-I98 PolarHBondContact O-N 3.21Å
97	S	82.7	Confident	84.7	Confident	103 Å²	103	64.1 Å²	64.1	72%	0.72	34%	0.342	S	S	*	.			trans	-82.3	-5.3	-170.7	61.4	0	0	0	0	114.4
98	I	85.9	Confident	85.5	Confident	76 Å²	76	60.9 Å²	60.9	39%	0.39	33%	0.326	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.1	129.2	-175.1	-56.5	175.1	0	0	0	108.3	F78 C96	F78-I98 HydrophobicContact CB-CG2 4.47Å; F78-I98 PolarHBondContact N-O 2.82Å; C96-I98 VanDerWaalsContact C-N 3.3Å; C96-I98 PolarHBondContact O-N 3.21Å
99	T	90.4	Very high	86.5	Confident	38 Å²	38	57.9 Å²	57.9	23%	0.233	31%	0.31	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.2	127.8	166	-58.7	0	0	0	0	108.3	L75 C76 K77 E167	L75-T99 HydrophobicContact CB-CG2 4.16Å; C76-T99 CarbonylContact O-C 3.54Å; C76-T99 WeakPolarHBondContact O-CA 3.21Å; K77-T99 PolarHBondContact NZ-OG1 3.42Å; K77-T99 VanDerWaalsContact NZ-OG1 3.14Å; T99-E167 VanDerWaalsContact CB-OE1 3.32Å; T99-E167 WeakPolarHBondContact CB-OE1 3.5Å; T99-E167 HydrophobicContact CG2-CG 3.99Å; T99-E167 WeakPolarHBondContact CG2-OE1 3.39Å; T99-E167 PolarHBondContact OG1-OE1 3.35Å
100	S	86.7	Confident	87.6	Confident	31 Å²	31	51 Å²	51	22%	0.217	28%	0.278	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.7	140.6	177.9	-168	0	0	0	0	110.3	C76	C76-S100 PolarHBondContact N-O 3.4Å; C76-S100 PolarHBondContact O-N 3.18Å
101	I	89.4	Confident	88.3	Confident	65 Å²	65	44.9 Å²	44.9	33%	0.333	25%	0.251	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.5	127.7	165.1	-50.2	172.3	0	0	0	106.9	L54 M61 P73 L75	L54-I101 HydrophobicContact CD2-CD1 3.7Å; L54-I101 HydrophobicContact CD2-CG1 4.04Å; M61-I101 HydrophobicContact CE-CB 4.23Å; M61-I101 HydrophobicContact CE-CG2 3.28Å; P73-I101 HydrophobicContact CB-CG2 3.57Å; P73-I101 HydrophobicContact CG-CG2 3.72Å; L75-I101 HydrophobicContact CD2-CB 4.25Å; L75-I101 HydrophobicContact CD2-CG1 3.66Å; L75-I101 HydrophobicContact CD2-CG2 4.41Å
102	C	87.6	Confident	88.7	Confident	1 Å²	1	41.5 Å²	41.5	1%	0.007	23%	0.227	C	C	.	.			trans	-70.9	132.3	176	-56	0	0	0	0	110.2	Q74 C76 K104 E107 C126	Q74-C102 HydrophobicContact CB-CB 4.21Å; Q74-C102 PolarHBondContact O-N 3.48Å; Q74-C102 PolarHBondContact O-SG 2.9Å; Q74-C102 VanDerWaalsContact O-SG 3.39Å; C76-C102 PolarHBondContact SG-SG 3.39Å; C102-K104 VanDerWaalsContact C-N 3.28Å; C102-K104 PolarHBondContact O-N 3.03Å; C102-E107 HydrophobicContact CB-CB 3.74Å; C102-E107 WeakPolarHBondContact CB-OE2 3.36Å; C102-C126 WeakPolarHBondContact CA-SG 3.24Å; C102-C126 HydrophobicContact CB-CB 3.65Å; C102-C126 WeakPolarHBondContact CB-SG 3.45Å; C102-C126 WeakPolarHBondContact SG-CB 3.2Å; C102-C126 CovalentContact SG-SG 2.05Å; C102-C126 PolarHBondContact SG-SG 3.08Å
103	E	82.4	Confident	88.9	Confident	98 Å²	98	40.4 Å²	40.4	46%	0.458	22%	0.22	S	C	.	.	S	Bend	trans	-69	-30.1	-173.4	-69.5	179	173	0	0	111.6	R49 E107	R49-E103 IonicContact CZ-OE2 3.91Å; R49-E103 IonicContact NE-OE2 2.82Å; R49-E103 IonicContact NH1-OE2 3.25Å; R49-E103 PolarHBondContact NH1-OE2 3.43Å; E103-E107 PolarHBondContact N-OE2 2.95Å
104	K	83.3	Confident	89	Confident	78 Å²	78	36.9 Å²	36.9	34%	0.339	20%	0.2	S	C	.	.	S	Bend	trans	-113.6	139.2	-178.3	-56.2	-179.1	-177.3	178.1	0	111.8	C102 Q106 E107	C102-K104 VanDerWaalsContact C-N 3.28Å; C102-K104 PolarHBondContact O-N 3.03Å; K104-Q106 PolarHBondContact O-N 2.83Å; K104-E107 HydrophobicContact CB-CG 3.93Å; K104-E107 PolarHBondContact N-OE2 3.43Å; K104-E107 VanDerWaalsContact N-OE2 3.14Å; K104-E107 WeakPolarHBondContact O-CB 3.08Å; K104-E107 PolarHBondContact O-N 2.75Å
105	P	81.3	Confident	89	Confident	30 Å²	30	40.7 Å²	40.7	20%	0.195	22%	0.216	C	C	.	.	T	Hydrogen-bonded Turn	trans	-64.4	-16	-177.5	-14.5	22.9	0	0	0	115.5	V63 K71	V63-P105 HydrophobicContact CB-CB 4.4Å; V63-P105 HydrophobicContact CB-CG 3.57Å; V63-P105 HydrophobicContact CG1-CG 4.31Å; V63-P105 HydrophobicContact CG2-CG 3.41Å; V63-P105 VanDerWaalsContact CG2-CG 3.41Å; K71-P105 HydrophobicContact CD-CB 4.49Å; K71-P105 PolarHBondContact NZ-O 3.15Å
106	Q	85.5	Confident	88.8	Confident	75 Å²	75	39 Å²	39	35%	0.35	21%	0.206	S	C	.	.	T	Hydrogen-bonded Turn	trans	-95.3	-6.5	176.7	74.6	-86.3	12.3	0	0	113.9	K104 D128 P129	K104-Q106 PolarHBondContact O-N 2.83Å; Q106-D128 HydrophobicContact CG-CB 4.5Å; Q106-D128 WeakPolarHBondContact CG-OD2 3.36Å; Q106-D128 PolarHBondContact NE2-OD2 3.21Å; Q106-P129 WeakPolarHBondContact O-CD 3.17Å
107	E	91.5	Very high	88.1	Confident	12 Å²	12	46.3 Å²	46.3	6%	0.056	25%	0.245	C	C	.	.			trans	-68.9	144.5	176	-76.4	169.2	173.5	0	0	110.4	R49 C102 E103 K104 C126 H127 D128	R49-E107 IonicContact NH1-OE1 3.96Å; C102-E107 HydrophobicContact CB-CB 3.74Å; C102-E107 WeakPolarHBondContact CB-OE2 3.36Å; E103-E107 PolarHBondContact N-OE2 2.95Å; K104-E107 HydrophobicContact CB-CG 3.93Å; K104-E107 PolarHBondContact N-OE2 3.43Å; K104-E107 VanDerWaalsContact N-OE2 3.14Å; K104-E107 WeakPolarHBondContact O-CB 3.08Å; K104-E107 PolarHBondContact O-N 2.75Å; E107-C126 HydrophobicContact CB-CB 4.36Å; E107-H127 CarbonylContact C-O 3.6Å; E107-H127 WeakPolarHBondContact CA-O 3.36Å; E107-D128 HydrophobicContact CG-CB 4.33Å
108	V	93.6	Very high	87.5	Confident	13 Å²	13	50.2 Å²	50.2	8%	0.079	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123	163.5	178.3	-61	0	0	0	0	109.8	V110 H127 P129 L138 A141	V108-V110 HydrophobicContact CG2-CG2 4.46Å; V108-H127 PolarHBondContact N-O 3.4Å; V108-H127 PolarHBondContact O-N 2.7Å; V108-P129 HydrophobicContact CG1-CG 4.2Å; V108-P129 HydrophobicContact CG2-CB 4.15Å; V108-P129 HydrophobicContact CG2-CG 4.25Å; V108-L138 HydrophobicContact CG2-CD1 4.34Å; V108-A141 HydrophobicContact CG1-CB 4.27Å; V108-A141 HydrophobicContact CG2-CB 4.2Å
109	C	95.2	Very high	87.4	Confident	0 Å²	0	50.9 Å²	50.9	0%	0	26%	0.256	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.9	134.4	177.6	-53.6	0	0	0	0	110.4	L75 C76 S162 C163 C168 N169	L75-C109 PolarHBondContact O-SG 3Å; C76-C109 WeakPolarHBondContact CA-SG 3.32Å; C76-C109 HydrophobicContact CB-CB 3.71Å; C76-C109 WeakPolarHBondContact CB-SG 3.37Å; C76-C109 WeakPolarHBondContact SG-CA 3.38Å; C76-C109 WeakPolarHBondContact SG-CB 3.48Å; C76-C109 PolarHBondContact SG-N 3.03Å; C76-C109 VanDerWaalsContact SG-N 3.4Å; C76-C109 CovalentContact SG-SG 2.03Å; C76-C109 PolarHBondContact SG-SG 3.17Å; C109-S162 CarbonylContact O-C 3.55Å; C109-S162 VanDerWaalsContact O-CA 3.26Å; C109-S162 WeakPolarHBondContact O-CA 3.35Å; C109-C163 PolarHBondContact N-O 3.37Å; C109-C163 PolarHBondContact O-N 3.48Å; C109-C168 VanDerWaalsContact CB-SG 3.56Å; C109-N169 HydrophobicContact CB-CB 3.76Å
110	V	95.3	Very high	87.4	Confident	0 Å²	0	50.5 Å²	50.5	0%	0	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.9	141.4	179.3	-178.3	0	0	0	0	109.2	V108 V112 T124 V125 H127 Y133 L138 C161 N169	V108-V110 HydrophobicContact CG2-CG2 4.46Å; V110-V112 HydrophobicContact CG1-CG2 4.13Å; V110-T124 VanDerWaalsContact O-CA 3.26Å; V110-T124 WeakPolarHBondContact O-CA 3.38Å; V110-V125 HydrophobicContact CB-CG1 4Å; V110-V125 HydrophobicContact CG1-CG1 4.47Å; V110-V125 PolarHBondContact N-O 3.2Å; V110-V125 PolarHBondContact O-N 3.35Å; V110-H127 HydrophobicContact CG2-CB 3.82Å; V110-Y133 HydrophobicContact CG1-CD1 4.11Å; V110-Y133 HydrophobicContact CG1-CE1 4.26Å; V110-L138 HydrophobicContact CG1-CD2 4.12Å; V110-L138 HydrophobicContact CG2-CD1 3.41Å; V110-L138 VanDerWaalsContact CG2-CD1 3.41Å; V110-L138 HydrophobicContact CG2-CD2 4.23Å; V110-C161 WeakPolarHBondContact CA-O 3.38Å; V110-C161 WeakPolarHBondContact CG1-O 3.5Å; V110-N169 PolarHBondContact O-ND2 2.98Å
111	A	95	Very high	87.6	Confident	0 Å²	0	50.3 Å²	50.3	0%	0	25%	0.25	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.2	140.4	163.6	0	0	0	0	0	109.6	E123 T124 M148 M160 C161 N169 I172	A111-E123 WeakPolarHBondContact CA-O 3.32Å; A111-T124 HydrophobicContact CB-CG2 4.01Å; A111-M148 HydrophobicContact CB-CE 3.78Å; A111-M160 WeakPolarHBondContact O-CA 3.49Å; A111-C161 PolarHBondContact N-O 2.85Å; A111-C161 VanDerWaalsContact N-O 3.15Å; A111-C161 PolarHBondContact O-N 3.36Å; A111-N169 HydrophobicContact CB-CB 4.17Å; A111-I172 HydrophobicContact CB-CD1 4.11Å; A111-I172 HydrophobicContact CB-CG1 4.16Å
112	V	94.1	Very high	87.7	Confident	1 Å²	1	47.4 Å²	47.4	1%	0.006	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126	129.5	174.1	-176.4	0	0	0	0	109	V110 R114 L122 E123 Y133 F158 F159 M160	V110-V112 HydrophobicContact CG1-CG2 4.13Å; V112-R114 HydrophobicContact CG1-CG 4.07Å; V112-L122 WeakPolarHBondContact O-CA 3.23Å; V112-L122 WeakPolarHBondContact O-CD1 3.34Å; V112-E123 HydrophobicContact CB-CG 3.66Å; V112-E123 HydrophobicContact CG2-CG 4.2Å; V112-E123 PolarHBondContact N-O 2.94Å; V112-E123 PolarHBondContact O-N 3.47Å; V112-Y133 HydrophobicContact CG2-CD1 4.11Å; V112-Y133 HydrophobicContact CG2-CE1 3.71Å; V112-F158 HydrophobicContact CG1-CD1 4.38Å; V112-F158 HydrophobicContact CG1-CE1 3.59Å; V112-F158 HydrophobicContact CG1-CE2 3.84Å; V112-F158 HydrophobicContact CG1-CZ 3.3Å; V112-F159 WeakPolarHBondContact CA-O 3.4Å; V112-F159 WeakPolarHBondContact CG1-O 3.47Å; V112-M160 HydrophobicContact CG2-CB 4.07Å
113	W	93.4	Very high	88	Confident	0 Å²	0	48 Å²	48	0%	0	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.6	133.6	178.1	-178.4	103.5	0	0	0	109.1	C86 N88 K115 I120 T121 L122 M148 T157 F159 F174	C86-W113 PolarHBondContact O-NE1 2.73Å; N88-W113 HydrophobicContact CB-CH2 3.76Å; N88-W113 HydrophobicContact CB-CZ2 3.87Å; N88-W113 HydrophobicContact CB-CZ3 4.3Å; W113-K115 HydrophobicContact CH2-CB 3.37Å; W113-K115 HydrophobicContact CH2-CD 3.86Å; W113-K115 HydrophobicContact CH2-CG 4.23Å; W113-K115 HydrophobicContact CZ2-CB 4.12Å; W113-K115 HydrophobicContact CZ2-CD 4.49Å; W113-K115 HydrophobicContact CZ3-CB 3.6Å; W113-I120 HydrophobicContact CD2-CG2 4.34Å; W113-I120 VanDerWaalsContact CE2-CG2 3.45Å; W113-I120 HydrophobicContact CZ2-CB 4.48Å; W113-I120 HydrophobicContact CZ2-CD1 4.01Å; W113-I120 HydrophobicContact CZ2-CG1 3.98Å; W113-I120 HydrophobicContact CZ2-CG2 3.69Å; W113-T121 WeakPolarHBondContact CA-O 3.46Å; W113-L122 HydrophobicContact CB-CD1 3.87Å; W113-L122 HydrophobicContact CG-CD1 4.33Å; W113-M148 HydrophobicContact CB-CE 3.78Å; W113-M148 HydrophobicContact CB-SD 4.41Å; W113-T157 HydrophobicContact CZ3-CG2 3.91Å; W113-F159 HydrophobicContact CB-CB 4.32Å; W113-F159 HydrophobicContact CE3-CB 4.37Å; W113-F159 AromaticContact CE3-CD2 3.77Å; W113-F159 HydrophobicContact CE3-CD2 3.77Å; W113-F159 HydrophobicContact CE3-CG 4.47Å; W113-F159 AromaticContact CZ3-CD2 3.91Å; W113-F159 HydrophobicContact CZ3-CD2 3.91Å; W113-F159 HydrophobicContact CZ3-CE2 4.34Å; W113-F159 PolarHBondContact N-O 3.11Å; W113-F159 PolarHBondContact O-N 3.38Å; W113-F159 VanDerWaalsContact O-O 3.13Å; W113-F174 HydrophobicContact CB-CE1 4.46Å; W113-F174 HydrophobicContact CB-CZ 4Å; W113-F174 AromaticContact CD1-CZ 3.73Å; W113-F174 HydrophobicContact CD2-CE1 4.11Å; W113-F174 AromaticContact CD2-CZ 3.83Å; W113-F174 HydrophobicContact CD2-CZ 3.83Å; W113-F174 HydrophobicContact CE3-CE1 4.3Å; W113-F174 HydrophobicContact CE3-CZ 4.48Å; W113-F174 HydrophobicContact CG-CE1 4.21Å; W113-F174 AromaticContact CG-CZ 3.61Å; W113-F174 HydrophobicContact CG-CZ 3.61Å; W113-F174 AromaticContact NE1-CZ 3.97Å
114	R	91.8	Very high	88.6	Confident	20 Å²	20	43.3 Å²	43.3	8%	0.075	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.1	141.2	-178.3	-48.3	177.9	-172.9	93.4	-1.8	110.3	V112 I120 T121 E123 H134 T157 F158	V112-R114 HydrophobicContact CG1-CG 4.07Å; R114-I120 CarbonylContact O-C 3.54Å; R114-I120 WeakPolarHBondContact O-CA 3.41Å; R114-T121 PolarHBondContact N-O 3.36Å; R114-T121 PolarHBondContact O-N 3.23Å; R114-E123 IonicContact CZ-OE1 3.12Å; R114-E123 IonicContact CZ-OE2 2.76Å; R114-E123 VanDerWaalsContact CZ-OE2 3.27Å; R114-E123 IonicContact NH1-OE1 3.48Å; R114-E123 IonicContact NH1-OE2 2.87Å; R114-E123 PolarHBondContact NH1-OE2 3.1Å; R114-E123 IonicContact NH2-OE1 2.76Å; R114-E123 PolarHBondContact NH2-OE1 3.42Å; R114-E123 IonicContact NH2-OE2 3.89Å; R114-E123 PolarHBondContact NH2-OE2 2.92Å; R114-H134 PolarHBondContact NH2-CD2 3.49Å; R114-H134 PolarHBondContact NH2-CE1 2.71Å; R114-H134 PolarHBondContact NH2-NE2 2.96Å; R114-T157 CarbonylContact C-O 3.55Å; R114-T157 VanDerWaalsContact CA-O 3.32Å; R114-T157 WeakPolarHBondContact CA-O 3.14Å; R114-F158 HydrophobicContact CG-CD2 3.67Å; R114-F158 HydrophobicContact CG-CE2 3.92Å; R114-F158 HydrophobicContact CG-CG 4.42Å
115	K	88.2	Confident	89.2	Confident	87 Å²	87	41 Å²	41	38%	0.378	21%	0.208	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.3	123.2	172.8	-179.8	178.9	179.6	-179.4	0	110.9	W113 N119 I120 T157	W113-K115 HydrophobicContact CH2-CB 3.37Å; W113-K115 HydrophobicContact CH2-CD 3.86Å; W113-K115 HydrophobicContact CH2-CG 4.23Å; W113-K115 HydrophobicContact CZ2-CB 4.12Å; W113-K115 HydrophobicContact CZ2-CD 4.49Å; W113-K115 HydrophobicContact CZ3-CB 3.6Å; K115-N119 WeakPolarHBondContact CA-O 3.43Å; K115-I120 HydrophobicContact CB-CG1 4.16Å; K115-I120 HydrophobicContact CD-CD1 4.48Å; K115-I120 HydrophobicContact CD-CG1 4.09Å; K115-I120 HydrophobicContact CG-CG1 3.93Å; K115-T157 PolarHBondContact N-O 2.7Å; K115-T157 PolarHBondContact O-N 2.68Å
116	N	83.7	Confident	89.8	Confident	80 Å²	80	40.5 Å²	40.5	43%	0.428	21%	0.205	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.5	168.2	168.5	-62.7	-4.7	0	0	0	108.2	E118 N119 E156	N116-E118 PolarHBondContact O-N 2.96Å; N116-N119 PolarHBondContact N-O 3.15Å; N116-N119 PolarHBondContact O-N 3.44Å; N116-E156 WeakPolarHBondContact OD1-CB 3.3Å
117	D	72.1	Confident	90.1	Very high	165 Å²	165	38.3 Å²	38.3	88%	0.882	20%	0.195	S	C	*	.	T	Hydrogen-bonded Turn	trans	-46.2	-18.6	-161	-66.8	-42.5	0	0	0	117.9
118	E	70.5	Confident	90.1	Very high	184 Å²	184	38.5 Å²	38.5	86%	0.86	20%	0.196	S	C	*	.	T	Hydrogen-bonded Turn	trans	-139	-6.5	167.1	-64	-171.1	166.1	0	0	115.9	N116	N116-E118 PolarHBondContact O-N 2.96Å
119	N	83.9	Confident	90	Very high	90 Å²	90	39.2 Å²	39.2	48%	0.481	20%	0.201	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.1	132.2	-169.9	-74	-20	0	0	0	112.4	F83 K115 N116	F83-N119 HydrophobicContact CD1-CB 4.36Å; F83-N119 HydrophobicContact CE1-CB 3.93Å; K115-N119 WeakPolarHBondContact CA-O 3.43Å; N116-N119 PolarHBondContact N-O 3.15Å; N116-N119 PolarHBondContact O-N 3.44Å
120	I	90.1	Very high	89.6	Confident	31 Å²	31	47.7 Å²	47.7	16%	0.159	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.5	130.2	172	-62.5	167.1	0	0	0	108.3	F83 S84 W113 R114 K115	F83-I120 WeakPolarHBondContact CA-O 3.36Å; S84-I120 PolarHBondContact N-O 3.24Å; S84-I120 WeakPolarHBondContact O-CB 3.38Å; W113-I120 HydrophobicContact CD2-CG2 4.34Å; W113-I120 VanDerWaalsContact CE2-CG2 3.45Å; W113-I120 HydrophobicContact CZ2-CB 4.48Å; W113-I120 HydrophobicContact CZ2-CD1 4.01Å; W113-I120 HydrophobicContact CZ2-CG1 3.98Å; W113-I120 HydrophobicContact CZ2-CG2 3.69Å; R114-I120 CarbonylContact O-C 3.54Å; R114-I120 WeakPolarHBondContact O-CA 3.41Å; K115-I120 HydrophobicContact CB-CG1 4.16Å; K115-I120 HydrophobicContact CD-CD1 4.48Å; K115-I120 HydrophobicContact CD-CG1 4.09Å; K115-I120 HydrophobicContact CG-CG1 3.93Å
121	T	91.1	Very high	89.2	Confident	27 Å²	27	51.9 Å²	51.9	17%	0.166	26%	0.26	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.2	150.2	176.7	61.1	0	0	0	0	111.9	V81 R82 F83 W113 R114	V81-T121 HydrophobicContact CG1-CG2 4.13Å; R82-T121 CarbonylContact O-C 3.6Å; R82-T121 WeakPolarHBondContact O-CA 3.47Å; R82-T121 WeakPolarHBondContact O-CB 3.36Å; F83-T121 HydrophobicContact CD1-CG2 4.26Å; F83-T121 HydrophobicContact CE1-CG2 4.44Å; W113-T121 WeakPolarHBondContact CA-O 3.46Å; R114-T121 PolarHBondContact N-O 3.36Å; R114-T121 PolarHBondContact O-N 3.23Å
122	L	92.9	Very high	88.9	Confident	3 Å²	3	55.9 Å²	55.9	2%	0.016	29%	0.286	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.3	143.1	179.3	-167.3	80.9	0	0	0	110.3	V81 R82 S94 V112 W113 M148 I172	V81-L122 WeakPolarHBondContact CA-O 3.47Å; R82-L122 PolarHBondContact N-O 3.17Å; R82-L122 PolarHBondContact O-N 3.09Å; S94-L122 WeakPolarHBondContact O-CD2 3.49Å; V112-L122 WeakPolarHBondContact O-CA 3.23Å; V112-L122 WeakPolarHBondContact O-CD1 3.34Å; W113-L122 HydrophobicContact CB-CD1 3.87Å; W113-L122 HydrophobicContact CG-CD1 4.33Å; L122-M148 HydrophobicContact CD1-CE 4.46Å; L122-I172 HydrophobicContact CD1-CD1 3.39Å; L122-I172 HydrophobicContact CD2-CD1 3.66Å; L122-I172 HydrophobicContact CG-CD1 4.12Å
123	E	94.1	Very high	88.8	Confident	13 Å²	13	58 Å²	58	6%	0.061	29%	0.294	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.8	152.6	166.3	63.1	-178	-146.6	0	0	110.1	V81 A111 V112 R114 Y133 H134	V81-E123 HydrophobicContact CG2-CB 4.27Å; V81-E123 WeakPolarHBondContact CG2-OE2 3.3Å; A111-E123 WeakPolarHBondContact CA-O 3.32Å; V112-E123 HydrophobicContact CB-CG 3.66Å; V112-E123 HydrophobicContact CG2-CG 4.2Å; V112-E123 PolarHBondContact N-O 2.94Å; V112-E123 PolarHBondContact O-N 3.47Å; R114-E123 IonicContact CZ-OE1 3.12Å; R114-E123 IonicContact CZ-OE2 2.76Å; R114-E123 VanDerWaalsContact CZ-OE2 3.27Å; R114-E123 IonicContact NH1-OE1 3.48Å; R114-E123 IonicContact NH1-OE2 2.87Å; R114-E123 PolarHBondContact NH1-OE2 3.1Å; R114-E123 IonicContact NH2-OE1 2.76Å; R114-E123 PolarHBondContact NH2-OE1 3.42Å; R114-E123 IonicContact NH2-OE2 3.89Å; R114-E123 PolarHBondContact NH2-OE2 2.92Å; E123-Y133 VanDerWaalsContact OE1-CE1 3.22Å; E123-Y133 WeakPolarHBondContact OE1-CE1 3.41Å; E123-Y133 VanDerWaalsContact OE1-CZ 3.32Å; E123-Y133 PolarHBondContact OE1-OH 2.92Å; E123-H134 IonicContact OE1-CD2 2.7Å; E123-H134 IonicContact OE1-CE1 2.85Å; E123-H134 IonicContact OE1-NE2 2.68Å; E123-H134 PolarHBondContact OE1-NE2 2.91Å; E123-H134 IonicContact OE2-NE2 2.61Å
124	T	94.8	Very high	88.5	Confident	1 Å²	1	60.9 Å²	60.9	1%	0.006	31%	0.307	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.1	137.7	175.2	60.6	0	0	0	0	110.5	K77 F78 C79 V110 A111 N169	K77-T124 VanDerWaalsContact C-OG1 3.24Å; K77-T124 CarbonylContact O-C 3.56Å; K77-T124 WeakPolarHBondContact O-CB 3.44Å; K77-T124 PolarHBondContact O-OG1 2.73Å; K77-T124 VanDerWaalsContact O-OG1 3.09Å; F78-T124 WeakPolarHBondContact CA-O 3.44Å; F78-T124 WeakPolarHBondContact CA-OG1 3.42Å; F78-T124 PolarHBondContact N-OG1 2.73Å; C79-T124 PolarHBondContact N-O 3.5Å; C79-T124 VanDerWaalsContact N-O 3.11Å; C79-T124 PolarHBondContact N-OG1 2.84Å; C79-T124 VanDerWaalsContact N-OG1 3.14Å; C79-T124 PolarHBondContact O-N 3.18Å; C79-T124 VanDerWaalsContact O-N 3.08Å; C79-T124 PolarHBondContact SG-OG1 3.27Å; V110-T124 VanDerWaalsContact O-CA 3.26Å; V110-T124 WeakPolarHBondContact O-CA 3.38Å; A111-T124 HydrophobicContact CB-CG2 4.01Å; T124-N169 WeakPolarHBondContact CB-ND2 3.43Å
125	V	94.5	Very high	88.3	Confident	29 Å²	29	67.3 Å²	67.3	18%	0.176	34%	0.343	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-155.2	156.7	-171.7	71.8	0	0	0	0	112.7	F78 V110 H127 Y133	F78-V125 HydrophobicContact CD2-CG2 4.35Å; F78-V125 HydrophobicContact CE2-CG2 4.19Å; V110-V125 HydrophobicContact CB-CG1 4Å; V110-V125 HydrophobicContact CG1-CG1 4.47Å; V110-V125 PolarHBondContact N-O 3.2Å; V110-V125 PolarHBondContact O-N 3.35Å; V125-H127 HydrophobicContact CG1-CB 4.42Å; V125-Y133 HydrophobicContact CG1-CE1 4.06Å; V125-Y133 HydrophobicContact CG1-CE2 4.29Å
126	C	93.7	Very high	88.2	Confident	19 Å²	19	65.3 Å²	65.3	13%	0.128	34%	0.335	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.7	125.8	162.3	-72.4	0	0	0	0	109.8	C102 E107	C102-C126 WeakPolarHBondContact CA-SG 3.24Å; C102-C126 HydrophobicContact CB-CB 3.65Å; C102-C126 WeakPolarHBondContact CB-SG 3.45Å; C102-C126 WeakPolarHBondContact SG-CB 3.2Å; C102-C126 CovalentContact SG-SG 2.05Å; C102-C126 PolarHBondContact SG-SG 3.08Å; E107-C126 HydrophobicContact CB-CB 4.36Å
127	H	93.2	Very high	88.3	Confident	30 Å²	30	67.1 Å²	67.1	14%	0.139	34%	0.343	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-144.1	147.2	179.1	-170.2	72.3	0	0	0	113	E107 V108 V110 V125 P129 L131 Y133 L138	E107-H127 CarbonylContact C-O 3.6Å; E107-H127 WeakPolarHBondContact CA-O 3.36Å; V108-H127 PolarHBondContact N-O 3.4Å; V108-H127 PolarHBondContact O-N 2.7Å; V110-H127 HydrophobicContact CG2-CB 3.82Å; V125-H127 HydrophobicContact CG1-CB 4.42Å; H127-P129 WeakPolarHBondContact O-CD 3.31Å; H127-L131 PolarHBondContact NE2-O 3.43Å; H127-Y133 AromaticContact CE1-CD2 3.78Å; H127-Y133 AromaticContact ND1-CD2 3.7Å; H127-L138 HydrophobicContact CB-CD1 4.33Å
128	D	91.7	Very high	89	Confident	16 Å²	16	59.9 Å²	59.9	9%	0.086	30%	0.304	C	S	.	.			trans	-77	116.7	177.6	-172	-31.6	0	0	0	109	Q106 E107 K130 L131	Q106-D128 HydrophobicContact CG-CB 4.5Å; Q106-D128 WeakPolarHBondContact CG-OD2 3.36Å; Q106-D128 PolarHBondContact NE2-OD2 3.21Å; E107-D128 HydrophobicContact CG-CB 4.33Å; D128-K130 PolarHBondContact O-N 2.82Å; D128-K130 WeakPolarHBondContact OD1-CB 3.49Å; D128-K130 PolarHBondContact OD1-N 3.5Å; D128-L131 HydrophobicContact CB-CD1 4.08Å; D128-L131 HydrophobicContact CB-CG 4.17Å; D128-L131 PolarHBondContact O-N 3.43Å
129	P	90.1	Very high	89.2	Confident	27 Å²	27	55.7 Å²	55.7	18%	0.175	29%	0.285	C	S	.	.	T	Hydrogen-bonded Turn	trans	-64.9	-14.3	-175.4	28.4	-34.6	0	0	0	113.7	Q106 V108 H127 L131 L138 A141	Q106-P129 WeakPolarHBondContact O-CD 3.17Å; V108-P129 HydrophobicContact CG1-CG 4.2Å; V108-P129 HydrophobicContact CG2-CB 4.15Å; V108-P129 HydrophobicContact CG2-CG 4.25Å; H127-P129 WeakPolarHBondContact O-CD 3.31Å; P129-L131 VanDerWaalsContact C-N 3.33Å; P129-L138 HydrophobicContact CB-CB 4.39Å; P129-A141 HydrophobicContact CB-CB 3.49Å; P129-A141 VanDerWaalsContact CB-CB 3.49Å; P129-A141 HydrophobicContact CG-CB 3.94Å
130	K	86.6	Confident	88.9	Confident	179 Å²	179	55.1 Å²	55.1	78%	0.778	28%	0.282	S	S	*	.	T	Hydrogen-bonded Turn	trans	-79.6	-15.6	174.6	-61.4	178.9	-179.3	175.6	0	113.1	D128	D128-K130 PolarHBondContact O-N 2.82Å; D128-K130 WeakPolarHBondContact OD1-CB 3.49Å; D128-K130 PolarHBondContact OD1-N 3.5Å
131	L	88.4	Confident	88.4	Confident	87 Å²	87	54.9 Å²	54.9	46%	0.455	28%	0.284	S	S	.	.	S	Bend	trans	-101.4	141.8	179.8	-62	179.1	0	0	0	110.4	H127 D128 P129	H127-L131 PolarHBondContact NE2-O 3.43Å; D128-L131 HydrophobicContact CB-CD1 4.08Å; D128-L131 HydrophobicContact CB-CG 4.17Å; D128-L131 PolarHBondContact O-N 3.43Å; P129-L131 VanDerWaalsContact C-N 3.33Å
132	P	88.8	Confident	88	Confident	84 Å²	84	58 Å²	58	55%	0.545	31%	0.312	S	S	.	.			trans	-64.8	141.6	174.2	27.6	-33.3	0	0	0	111	F136	P132-F136 CarbonylContact C-O 3.46Å; P132-F136 VanDerWaalsContact CA-O 3.3Å; P132-F136 WeakPolarHBondContact CA-O 3.44Å
133	Y	90.4	Very high	87.7	Confident	47 Å²	47	58.9 Å²	58.9	18%	0.184	32%	0.319	C	S	.	.	B	Isolated β-bridge	trans	-125.4	124.7	173.2	-166.3	-117	0	0	0	109	V110 V112 E123 V125 H127 D135 F136	V110-Y133 HydrophobicContact CG1-CD1 4.11Å; V110-Y133 HydrophobicContact CG1-CE1 4.26Å; V112-Y133 HydrophobicContact CG2-CD1 4.11Å; V112-Y133 HydrophobicContact CG2-CE1 3.71Å; E123-Y133 VanDerWaalsContact OE1-CE1 3.22Å; E123-Y133 WeakPolarHBondContact OE1-CE1 3.41Å; E123-Y133 VanDerWaalsContact OE1-CZ 3.32Å; E123-Y133 PolarHBondContact OE1-OH 2.92Å; V125-Y133 HydrophobicContact CG1-CE1 4.06Å; V125-Y133 HydrophobicContact CG1-CE2 4.29Å; H127-Y133 AromaticContact CE1-CD2 3.78Å; H127-Y133 AromaticContact ND1-CD2 3.7Å; Y133-D135 PolarHBondContact O-N 2.96Å; Y133-F136 PolarHBondContact N-O 3.29Å; Y133-F136 PolarHBondContact O-N 3.12Å
134	H	88.2	Confident	87.5	Confident	59 Å²	59	62.4 Å²	62.4	27%	0.273	34%	0.343	S	S	.	.	T	Hydrogen-bonded Turn	trans	49.5	41	-168.5	-66.8	-76.8	0	0	0	113.5	R114 E123 F136 F158 M160	R114-H134 PolarHBondContact NH2-CD2 3.49Å; R114-H134 PolarHBondContact NH2-CE1 2.71Å; R114-H134 PolarHBondContact NH2-NE2 2.96Å; E123-H134 IonicContact OE1-CD2 2.7Å; E123-H134 IonicContact OE1-CE1 2.85Å; E123-H134 IonicContact OE1-NE2 2.68Å; E123-H134 PolarHBondContact OE1-NE2 2.91Å; E123-H134 IonicContact OE2-NE2 2.61Å; H134-F136 WeakPolarHBondContact O-CD2 3.34Å; H134-F136 WeakPolarHBondContact O-CE2 3.45Å; H134-F136 PolarHBondContact O-N 3.2Å; H134-F158 HydrophobicContact CB-CE2 4.42Å; H134-F158 HydrophobicContact CB-CZ 3.81Å; H134-F158 AromaticContact CG-CZ 3.95Å; H134-M160 HydrophobicContact CB-CE 4.43Å
135	D	87.1	Confident	87.3	Confident	155 Å²	155	68.5 Å²	68.5	83%	0.829	37%	0.37	S	S	*	.	T	Hydrogen-bonded Turn	trans	65.8	11.1	-177.6	-51.1	-49.8	0	0	0	115.7	Y133	Y133-D135 PolarHBondContact O-N 2.96Å
136	F	87.3	Confident	87.2	Confident	46 Å²	46	67.1 Å²	67.1	20%	0.202	36%	0.361	C	S	.	.	B	Isolated β-bridge	trans	-115.3	146.8	175	-61	-76.2	0	0	0	111.8	P132 Y133 H134 K151 K153 M160	P132-F136 CarbonylContact C-O 3.46Å; P132-F136 VanDerWaalsContact CA-O 3.3Å; P132-F136 WeakPolarHBondContact CA-O 3.44Å; Y133-F136 PolarHBondContact N-O 3.29Å; Y133-F136 PolarHBondContact O-N 3.12Å; H134-F136 WeakPolarHBondContact O-CD2 3.34Å; H134-F136 WeakPolarHBondContact O-CE2 3.45Å; H134-F136 PolarHBondContact O-N 3.2Å; F136-K151 HydrophobicContact CD1-CB 4.21Å; F136-K151 HydrophobicContact CD1-CD 4Å; F136-K151 HydrophobicContact CD1-CG 4.26Å; F136-K151 HydrophobicContact CD2-CB 4.08Å; F136-K151 HydrophobicContact CD2-CG 4.18Å; F136-K151 HydrophobicContact CE1-CB 3.92Å; F136-K151 HydrophobicContact CE1-CD 4.41Å; F136-K151 HydrophobicContact CE1-CG 4.46Å; F136-K151 HydrophobicContact CE2-CB 3.76Å; F136-K151 HydrophobicContact CE2-CG 4.37Å; F136-K151 HydrophobicContact CG-CB 4.3Å; F136-K151 HydrophobicContact CG-CD 4.18Å; F136-K151 HydrophobicContact CG-CG 4.12Å; F136-K151 HydrophobicContact CZ-CB 3.69Å; F136-K153 HydrophobicContact CE2-CD 4.16Å; F136-K153 HydrophobicContact CE2-CG 3.81Å; F136-K153 HydrophobicContact CZ-CG 3.9Å; F136-M160 HydrophobicContact CB-CE 3.7Å; F136-M160 HydrophobicContact CB-SD 3.82Å; F136-M160 HydrophobicContact CD2-CE 3.65Å; F136-M160 HydrophobicContact CG-CE 4.03Å; F136-M160 HydrophobicContact CG-SD 4.45Å
137	I	86.1	Confident	87.1	Confident	118 Å²	118	68.8 Å²	68.8	61%	0.605	37%	0.368	S	S	*	.	P	Polyproline II helix	trans	-82.7	136.3	169.5	-61.4	175.5	0	0	0	108.3	E139	I137-E139 PolarHBondContact O-N 3.07Å
138	L	86	Confident	87	Confident	13 Å²	13	67.8 Å²	67.8	7%	0.068	36%	0.364	C	S	.	.	P	Polyproline II helix	trans	-71.1	119.5	177.6	-63.6	178.9	0	0	0	110.2	V108 V110 H127 P129 M160	V108-L138 HydrophobicContact CG2-CD1 4.34Å; V110-L138 HydrophobicContact CG1-CD2 4.12Å; V110-L138 HydrophobicContact CG2-CD1 3.41Å; V110-L138 VanDerWaalsContact CG2-CD1 3.41Å; V110-L138 HydrophobicContact CG2-CD2 4.23Å; H127-L138 HydrophobicContact CB-CD1 4.33Å; P129-L138 HydrophobicContact CB-CB 4.39Å; L138-M160 HydrophobicContact CD2-SD 4.11Å
139	E	75.4	Confident	86.9	Confident	95 Å²	95	70.2 Å²	70.2	44%	0.444	37%	0.374	S	S	.	.	S	Bend	trans	-91.3	148.8	171.6	-66.4	167	-142.5	0	0	108.7	I137 A141 K149 K151 S162	I137-E139 PolarHBondContact O-N 3.07Å; E139-A141 PolarHBondContact O-N 3.13Å; E139-K149 HydrophobicContact CB-CD 4.41Å; E139-K149 IonicContact OE2-NZ 2.85Å; E139-K149 PolarHBondContact OE2-NZ 2.94Å; E139-K151 IonicContact OE1-NZ 2.9Å; E139-K151 PolarHBondContact OE1-NZ 2.84Å; E139-K151 IonicContact OE2-NZ 2.71Å; E139-S162 PolarHBondContact O-OG 3.41Å
140	D	76.1	Confident	87	Confident	79 Å²	79	75.3 Å²	75.3	42%	0.422	40%	0.395	S	S	.	.			trans	66.1	31.8	174.7	-41.7	-43.4	0	0	0	116.1	A142 S143 K149	D140-A142 PolarHBondContact O-N 3.37Å; D140-S143 WeakPolarHBondContact O-CB 3.43Å; D140-S143 PolarHBondContact O-N 2.65Å; D140-K149 IonicContact OD1-NZ 2.79Å; D140-K149 PolarHBondContact OD1-NZ 3.46Å; D140-K149 WeakPolarHBondContact OD2-CE 3.42Å; D140-K149 IonicContact OD2-NZ 3.83Å; D140-K149 PolarHBondContact OD2-NZ 2.98Å
141	A	79.3	Confident	87.1	Confident	26 Å²	26	67.7 Å²	67.7	22%	0.215	36%	0.362	C	S	.	.	T	Hydrogen-bonded Turn	trans	-58	-13.1	176.8	0	0	0	0	0	115	V108 P129 E139 S162 S164	V108-A141 HydrophobicContact CG1-CB 4.27Å; V108-A141 HydrophobicContact CG2-CB 4.2Å; P129-A141 HydrophobicContact CB-CB 3.49Å; P129-A141 VanDerWaalsContact CB-CB 3.49Å; P129-A141 HydrophobicContact CG-CB 3.94Å; E139-A141 PolarHBondContact O-N 3.13Å; A141-S162 VanDerWaalsContact CA-OG 3.29Å; A141-S162 WeakPolarHBondContact CA-OG 3.49Å; A141-S162 PolarHBondContact N-OG 3.13Å; A141-S164 WeakPolarHBondContact O-CB 3.42Å
142	A	83.2	Confident	87	Confident	91 Å²	91	73 Å²	73	75%	0.752	38%	0.381	S	S	*	.	T	Hydrogen-bonded Turn	trans	-96.6	-0.8	174	0	0	0	0	0	113.7	D140	D140-A142 PolarHBondContact O-N 3.37Å
143	S	87.7	Confident	86.6	Confident	23 Å²	23	71.5 Å²	71.5	16%	0.161	37%	0.366	C	S	.	.			trans	-69.6	135.5	178.4	177.4	0	0	0	0	110.2	D140 K145 C163 S164	D140-S143 WeakPolarHBondContact O-CB 3.43Å; D140-S143 PolarHBondContact O-N 2.65Å; S143-K145 PolarHBondContact O-N 2.99Å; S143-K145 PolarHBondContact OG-N 3.37Å; S143-K145 PolarHBondContact OG-O 2.92Å; S143-C163 CarbonylContact O-C 3.58Å; S143-C163 WeakPolarHBondContact O-CA 3.44Å; S143-C163 WeakPolarHBondContact O-CB 3.31Å; S143-S164 PolarHBondContact O-N 3.24Å
144	P	88.4	Confident	86	Confident	86 Å²	86	75.7 Å²	75.7	56%	0.558	40%	0.399	S	S	*	.	S	Bend	trans	-73.2	-12.6	172.8	30.3	-34.6	0	0	0	112.9
145	K	91.3	Very high	85.6	Confident	130 Å²	130	76.6 Å²	76.6	57%	0.565	42%	0.424	S	S	*	.	S	Bend	trans	-124.5	143.2	-175.4	-64.8	-177.3	-179.7	-179.3	0	111.6	S143 I147 I173	S143-K145 PolarHBondContact O-N 2.99Å; S143-K145 PolarHBondContact OG-N 3.37Å; S143-K145 PolarHBondContact OG-O 2.92Å; K145-I147 HydrophobicContact CB-CG1 4.33Å; K145-I147 PolarHBondContact O-N 3.34Å; K145-I147 VanDerWaalsContact O-N 3.13Å; K145-I173 HydrophobicContact CB-CD1 4.22Å; K145-I173 HydrophobicContact CD-CD1 4.13Å
146	C	92.3	Very high	85.4	Confident	0 Å²	0	71.7 Å²	71.7	0%	0	40%	0.396	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-83	87.1	177.1	-145	0	0	0	0	110.9	C161 C163 C168 I173	C146-C161 VanDerWaalsContact C-SG 3.57Å; C146-C161 HydrophobicContact CB-CB 4Å; C146-C161 WeakPolarHBondContact CB-SG 3.46Å; C146-C161 WeakPolarHBondContact SG-CB 3.4Å; C146-C161 CovalentContact SG-SG 2.02Å; C146-C161 PolarHBondContact SG-SG 3.22Å; C146-C163 HydrophobicContact CB-CB 4.38Å; C146-C168 WeakPolarHBondContact CB-O 3.49Å; C146-I173 PolarHBondContact O-N 3.03Å
147	I	91.9	Very high	85.5	Confident	53 Å²	53	71.9 Å²	71.9	27%	0.272	40%	0.402	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.2	114.7	178.4	-57.1	172.5	0	0	0	109	K145 K149 C161	K145-I147 HydrophobicContact CB-CG1 4.33Å; K145-I147 PolarHBondContact O-N 3.34Å; K145-I147 VanDerWaalsContact O-N 3.13Å; I147-K149 PolarHBondContact O-N 2.72Å; I147-C161 VanDerWaalsContact C-CB 3.44Å; I147-C161 WeakPolarHBondContact O-CB 3.42Å
148	M	91.3	Very high	85.7	Confident	9 Å²	9	66.3 Å²	66.3	4%	0.044	37%	0.373	C	S	.	.			trans	-69.7	126	-175.2	-79.1	-68.4	-171.8	0	0	111.9	A111 W113 L122 F159 C161 I172 I173 F174	A111-M148 HydrophobicContact CB-CE 3.78Å; W113-M148 HydrophobicContact CB-CE 3.78Å; W113-M148 HydrophobicContact CB-SD 4.41Å; L122-M148 HydrophobicContact CD1-CE 4.46Å; M148-F159 HydrophobicContact CB-CB 4.14Å; M148-F159 HydrophobicContact CB-CD1 3.91Å; M148-F159 HydrophobicContact CB-CG 4.41Å; M148-F159 HydrophobicContact CG-CB 4.37Å; M148-F159 HydrophobicContact SD-CB 3.78Å; M148-C161 HydrophobicContact SD-CB 4.11Å; M148-C161 VanDerWaalsContact SD-SG 3.67Å; M148-I172 HydrophobicContact CE-CB 4.32Å; M148-I172 HydrophobicContact CE-CD1 4.08Å; M148-I172 HydrophobicContact CE-CG1 4.14Å; M148-I172 HydrophobicContact CE-CG2 3.27Å; M148-I172 HydrophobicContact CG-CG2 3.26Å; M148-I172 HydrophobicContact SD-CG2 4.07Å; M148-I173 WeakPolarHBondContact CB-O 3.48Å; M148-I173 PolarHBondContact N-O 2.93Å; M148-F174 HydrophobicContact CB-CD1 3.65Å; M148-F174 HydrophobicContact CB-CE1 3.75Å; M148-F174 HydrophobicContact CB-CG 4.17Å; M148-F174 HydrophobicContact CB-CZ 4.33Å; M148-F174 HydrophobicContact CG-CD1 4.07Å; M148-F174 HydrophobicContact CG-CE1 3.75Å; M148-F174 HydrophobicContact CG-CE2 4.26Å; M148-F174 HydrophobicContact CG-CG 4.48Å; M148-F174 HydrophobicContact CG-CZ 3.84Å
149	K	90.1	Very high	86	Confident	68 Å²	68	66.9 Å²	66.9	30%	0.296	38%	0.375	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.9	130.9	174.3	-73.4	179.9	163.1	-179.5	0	110.8	E139 D140 I147 F159 M160	E139-K149 HydrophobicContact CB-CD 4.41Å; E139-K149 IonicContact OE2-NZ 2.85Å; E139-K149 PolarHBondContact OE2-NZ 2.94Å; D140-K149 IonicContact OD1-NZ 2.79Å; D140-K149 PolarHBondContact OD1-NZ 3.46Å; D140-K149 WeakPolarHBondContact OD2-CE 3.42Å; D140-K149 IonicContact OD2-NZ 3.83Å; D140-K149 PolarHBondContact OD2-NZ 2.98Å; I147-K149 PolarHBondContact O-N 2.72Å; K149-F159 VanDerWaalsContact C-CD1 3.48Å; K149-F159 WeakPolarHBondContact O-CA 3.3Å; K149-M160 PolarHBondContact N-O 3.29Å; K149-M160 PolarHBondContact O-N 2.83Å
150	E	90.4	Very high	86.9	Confident	133 Å²	133	62.6 Å²	62.6	62%	0.621	36%	0.355	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-67.1	133.3	176.7	-166	179.6	175.7	0	0	110.6	F158 F159	E150-F158 CarbonylContact C-O 3.27Å; E150-F158 WeakPolarHBondContact CA-O 3.45Å; E150-F159 HydrophobicContact CB-CD1 4.04Å; E150-F159 HydrophobicContact CB-CE1 3.6Å; E150-F159 HydrophobicContact CB-CE2 4.34Å; E150-F159 HydrophobicContact CB-CZ 3.76Å; E150-F159 HydrophobicContact CG-CE1 4.28Å; E150-F159 HydrophobicContact CG-CE2 4.13Å; E150-F159 HydrophobicContact CG-CZ 3.94Å; E150-F159 VanDerWaalsContact N-CD1 3.34Å
151	K	89.9	Confident	87.7	Confident	20 Å²	20	59.1 Å²	59.1	9%	0.087	34%	0.337	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118	138.2	173.7	-57.4	-62	-175.4	-179.5	0	109.5	F136 E139 K153 F158 M160	F136-K151 HydrophobicContact CD1-CB 4.21Å; F136-K151 HydrophobicContact CD1-CD 4Å; F136-K151 HydrophobicContact CD1-CG 4.26Å; F136-K151 HydrophobicContact CD2-CB 4.08Å; F136-K151 HydrophobicContact CD2-CG 4.18Å; F136-K151 HydrophobicContact CE1-CB 3.92Å; F136-K151 HydrophobicContact CE1-CD 4.41Å; F136-K151 HydrophobicContact CE1-CG 4.46Å; F136-K151 HydrophobicContact CE2-CB 3.76Å; F136-K151 HydrophobicContact CE2-CG 4.37Å; F136-K151 HydrophobicContact CG-CB 4.3Å; F136-K151 HydrophobicContact CG-CD 4.18Å; F136-K151 HydrophobicContact CG-CG 4.12Å; F136-K151 HydrophobicContact CZ-CB 3.69Å; E139-K151 IonicContact OE1-NZ 2.9Å; E139-K151 PolarHBondContact OE1-NZ 2.84Å; E139-K151 IonicContact OE2-NZ 2.71Å; K151-K153 PolarHBondContact O-N 2.84Å; K151-F158 HydrophobicContact CB-CD1 3.86Å; K151-F158 HydrophobicContact CB-CE1 4.46Å; K151-F158 HydrophobicContact CG-CD1 4.24Å; K151-F158 PolarHBondContact N-O 3.08Å; K151-M160 HydrophobicContact CD-CG 4.19Å; K151-M160 HydrophobicContact CD-SD 4.26Å; K151-M160 VanDerWaalsContact CE-SD 3.51Å; K151-M160 HydrophobicContact CG-CE 4.25Å; K151-M160 HydrophobicContact CG-CG 3.56Å; K151-M160 HydrophobicContact CG-SD 3.91Å
152	K	85.8	Confident	88.4	Confident	199 Å²	199	58 Å²	58	87%	0.865	33%	0.328	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-78.3	104.4	-177.4	-68	-177.6	179.1	-179.7	0	110.1
153	K	81.1	Confident	88.9	Confident	51 Å²	51	53.7 Å²	53.7	22%	0.222	29%	0.292	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.3	140	166.7	-77.2	-168.2	177.8	-166.8	0	110.8	F136 K151 G155 E156 F158	F136-K153 HydrophobicContact CE2-CD 4.16Å; F136-K153 HydrophobicContact CE2-CG 3.81Å; F136-K153 HydrophobicContact CZ-CG 3.9Å; K151-K153 PolarHBondContact O-N 2.84Å; K153-G155 PolarHBondContact O-N 2.96Å; K153-E156 HydrophobicContact CB-CG 3.77Å; K153-E156 HydrophobicContact CD-CG 4.42Å; K153-E156 WeakPolarHBondContact CD-OE1 3.46Å; K153-E156 IonicContact NZ-OE1 3.49Å; K153-F158 HydrophobicContact CB-CB 4.47Å; K153-F158 HydrophobicContact CD-CB 4.46Å; K153-F158 HydrophobicContact CD-CD2 3.59Å; K153-F158 HydrophobicContact CD-CE2 3.85Å; K153-F158 HydrophobicContact CD-CG 4.04Å; K153-F158 VanDerWaalsContact NZ-CE2 3.27Å
154	P	78	Confident	89	Confident	135 Å²	135	54.9 Å²	54.9	88%	0.877	30%	0.3	S	S	*	.	T	Hydrogen-bonded Turn	trans	-66.2	124.1	-179.9	-16.8	29.8	0	0	0	111.4
155	G	78.3	Confident	89.1	Confident	78 Å²	78	53.7 Å²	53.7	80%	0.804	29%	0.294	S	S	*	.	T	Hydrogen-bonded Turn	trans	82.7	4.4	170.5	0	0	0	0	0	116.5	K153	K153-G155 PolarHBondContact O-N 2.96Å
156	E	84.6	Confident	89.1	Confident	52 Å²	52	52 Å²	52	24%	0.243	29%	0.291	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.9	144.3	176.5	61.3	-179.7	-166.9	0	0	111.7	N116 K153 F158	N116-E156 WeakPolarHBondContact OD1-CB 3.3Å; K153-E156 HydrophobicContact CB-CG 3.77Å; K153-E156 HydrophobicContact CD-CG 4.42Å; K153-E156 WeakPolarHBondContact CD-OE1 3.46Å; K153-E156 IonicContact NZ-OE1 3.49Å; E156-F158 HydrophobicContact CG-CB 4.45Å; E156-F158 VanDerWaalsContact OE1-CD2 3.31Å; E156-F158 WeakPolarHBondContact OE1-CD2 3.4Å
157	T	87.9	Confident	89.2	Confident	51 Å²	51	55.3 Å²	55.3	31%	0.313	31%	0.306	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-83	118.4	166.9	-55.6	0	0	0	0	108.1	W113 R114 K115 F159	W113-T157 HydrophobicContact CZ3-CG2 3.91Å; R114-T157 CarbonylContact C-O 3.55Å; R114-T157 VanDerWaalsContact CA-O 3.32Å; R114-T157 WeakPolarHBondContact CA-O 3.14Å; K115-T157 PolarHBondContact N-O 2.7Å; K115-T157 PolarHBondContact O-N 2.68Å; T157-F159 HydrophobicContact CG2-CD2 3.94Å; T157-F159 HydrophobicContact CG2-CE2 3.5Å; T157-F159 VanDerWaalsContact CG2-CE2 3.5Å
158	F	91.1	Very high	89.3	Confident	1 Å²	1	53.4 Å²	53.4	0%	0.004	30%	0.298	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.2	124.1	-170.9	-169.8	-71.7	0	0	0	110.2	V112 R114 H134 E150 K151 K153 E156 M160	V112-F158 HydrophobicContact CG1-CD1 4.38Å; V112-F158 HydrophobicContact CG1-CE1 3.59Å; V112-F158 HydrophobicContact CG1-CE2 3.84Å; V112-F158 HydrophobicContact CG1-CZ 3.3Å; R114-F158 HydrophobicContact CG-CD2 3.67Å; R114-F158 HydrophobicContact CG-CE2 3.92Å; R114-F158 HydrophobicContact CG-CG 4.42Å; H134-F158 HydrophobicContact CB-CE2 4.42Å; H134-F158 HydrophobicContact CB-CZ 3.81Å; H134-F158 AromaticContact CG-CZ 3.95Å; E150-F158 CarbonylContact C-O 3.27Å; E150-F158 WeakPolarHBondContact CA-O 3.45Å; K151-F158 HydrophobicContact CB-CD1 3.86Å; K151-F158 HydrophobicContact CB-CE1 4.46Å; K151-F158 HydrophobicContact CG-CD1 4.24Å; K151-F158 PolarHBondContact N-O 3.08Å; K153-F158 HydrophobicContact CB-CB 4.47Å; K153-F158 HydrophobicContact CD-CB 4.46Å; K153-F158 HydrophobicContact CD-CD2 3.59Å; K153-F158 HydrophobicContact CD-CE2 3.85Å; K153-F158 HydrophobicContact CD-CG 4.04Å; K153-F158 VanDerWaalsContact NZ-CE2 3.27Å; E156-F158 HydrophobicContact CG-CB 4.45Å; E156-F158 VanDerWaalsContact OE1-CD2 3.31Å; E156-F158 WeakPolarHBondContact OE1-CD2 3.4Å; F158-M160 HydrophobicContact CE1-CB 4.24Å; F158-M160 HydrophobicContact CE1-CE 3.44Å; F158-M160 VanDerWaalsContact CE1-CE 3.44Å; F158-M160 HydrophobicContact CE1-CG 4.36Å; F158-M160 HydrophobicContact CZ-CE 3.99Å
159	F	92.4	Very high	89.4	Confident	25 Å²	25	53 Å²	53	11%	0.11	30%	0.295	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.4	144.5	175.3	-76.2	-99.7	0	0	0	110.4	V112 W113 M148 K149 E150 T157 F174	V112-F159 WeakPolarHBondContact CA-O 3.4Å; V112-F159 WeakPolarHBondContact CG1-O 3.47Å; W113-F159 HydrophobicContact CB-CB 4.32Å; W113-F159 HydrophobicContact CE3-CB 4.37Å; W113-F159 AromaticContact CE3-CD2 3.77Å; W113-F159 HydrophobicContact CE3-CD2 3.77Å; W113-F159 HydrophobicContact CE3-CG 4.47Å; W113-F159 AromaticContact CZ3-CD2 3.91Å; W113-F159 HydrophobicContact CZ3-CD2 3.91Å; W113-F159 HydrophobicContact CZ3-CE2 4.34Å; W113-F159 PolarHBondContact N-O 3.11Å; W113-F159 PolarHBondContact O-N 3.38Å; W113-F159 VanDerWaalsContact O-O 3.13Å; M148-F159 HydrophobicContact CB-CB 4.14Å; M148-F159 HydrophobicContact CB-CD1 3.91Å; M148-F159 HydrophobicContact CB-CG 4.41Å; M148-F159 HydrophobicContact CG-CB 4.37Å; M148-F159 HydrophobicContact SD-CB 3.78Å; K149-F159 VanDerWaalsContact C-CD1 3.48Å; K149-F159 WeakPolarHBondContact O-CA 3.3Å; E150-F159 HydrophobicContact CB-CD1 4.04Å; E150-F159 HydrophobicContact CB-CE1 3.6Å; E150-F159 HydrophobicContact CB-CE2 4.34Å; E150-F159 HydrophobicContact CB-CZ 3.76Å; E150-F159 HydrophobicContact CG-CE1 4.28Å; E150-F159 HydrophobicContact CG-CE2 4.13Å; E150-F159 HydrophobicContact CG-CZ 3.94Å; E150-F159 VanDerWaalsContact N-CD1 3.34Å; T157-F159 HydrophobicContact CG2-CD2 3.94Å; T157-F159 HydrophobicContact CG2-CE2 3.5Å; T157-F159 VanDerWaalsContact CG2-CE2 3.5Å; F159-F174 HydrophobicContact CB-CE1 3.92Å; F159-F174 AromaticContact CD1-CD1 3.93Å; F159-F174 HydrophobicContact CD1-CD1 3.93Å; F159-F174 AromaticContact CD1-CE1 4Å; F159-F174 HydrophobicContact CD1-CE1 4Å; F159-F174 HydrophobicContact CD2-CE1 4.06Å; F159-F174 HydrophobicContact CE1-CD1 4.12Å; F159-F174 HydrophobicContact CG-CD1 4.13Å; F159-F174 AromaticContact CG-CE1 3.74Å; F159-F174 HydrophobicContact CG-CE1 3.74Å
160	M	93.1	Very high	89.6	Confident	5 Å²	5	51.5 Å²	51.5	3%	0.025	29%	0.291	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.3	151.6	171.3	57.8	166.4	59.6	0	0	111.6	A111 V112 H134 F136 L138 K149 K151 F158	A111-M160 WeakPolarHBondContact O-CA 3.49Å; V112-M160 HydrophobicContact CG2-CB 4.07Å; H134-M160 HydrophobicContact CB-CE 4.43Å; F136-M160 HydrophobicContact CB-CE 3.7Å; F136-M160 HydrophobicContact CB-SD 3.82Å; F136-M160 HydrophobicContact CD2-CE 3.65Å; F136-M160 HydrophobicContact CG-CE 4.03Å; F136-M160 HydrophobicContact CG-SD 4.45Å; L138-M160 HydrophobicContact CD2-SD 4.11Å; K149-M160 PolarHBondContact N-O 3.29Å; K149-M160 PolarHBondContact O-N 2.83Å; K151-M160 HydrophobicContact CD-CG 4.19Å; K151-M160 HydrophobicContact CD-SD 4.26Å; K151-M160 VanDerWaalsContact CE-SD 3.51Å; K151-M160 HydrophobicContact CG-CE 4.25Å; K151-M160 HydrophobicContact CG-CG 3.56Å; K151-M160 HydrophobicContact CG-SD 3.91Å; F158-M160 HydrophobicContact CE1-CB 4.24Å; F158-M160 HydrophobicContact CE1-CE 3.44Å; F158-M160 VanDerWaalsContact CE1-CE 3.44Å; F158-M160 HydrophobicContact CE1-CG 4.36Å; F158-M160 HydrophobicContact CZ-CE 3.99Å
161	C	93.6	Very high	89.7	Confident	6 Å²	6	48.9 Å²	48.9	4%	0.041	28%	0.281	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.4	154.5	171.8	56	0	0	0	0	111.2	V110 A111 C146 I147 M148	V110-C161 WeakPolarHBondContact CA-O 3.38Å; V110-C161 WeakPolarHBondContact CG1-O 3.5Å; A111-C161 PolarHBondContact N-O 2.85Å; A111-C161 VanDerWaalsContact N-O 3.15Å; A111-C161 PolarHBondContact O-N 3.36Å; C146-C161 VanDerWaalsContact C-SG 3.57Å; C146-C161 HydrophobicContact CB-CB 4Å; C146-C161 WeakPolarHBondContact CB-SG 3.46Å; C146-C161 WeakPolarHBondContact SG-CB 3.4Å; C146-C161 CovalentContact SG-SG 2.02Å; C146-C161 PolarHBondContact SG-SG 3.22Å; I147-C161 VanDerWaalsContact C-CB 3.44Å; I147-C161 WeakPolarHBondContact O-CB 3.42Å; M148-C161 HydrophobicContact SD-CB 4.11Å; M148-C161 VanDerWaalsContact SD-SG 3.67Å
162	S	94.4	Very high	89.8	Confident	3 Å²	3	48 Å²	48	2%	0.021	28%	0.277	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.6	147.1	169.6	71.6	0	0	0	0	110.5	C109 E139 A141	C109-S162 CarbonylContact O-C 3.55Å; C109-S162 VanDerWaalsContact O-CA 3.26Å; C109-S162 WeakPolarHBondContact O-CA 3.35Å; E139-S162 PolarHBondContact O-OG 3.41Å; A141-S162 VanDerWaalsContact CA-OG 3.29Å; A141-S162 WeakPolarHBondContact CA-OG 3.49Å; A141-S162 PolarHBondContact N-OG 3.13Å
163	C	93.6	Very high	90	Very high	0 Å²	0	39.7 Å²	39.7	0%	0	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-157	160	-177.6	59.3	0	0	0	0	112.6	C109 S143 C146 C168 N169	C109-C163 PolarHBondContact N-O 3.37Å; C109-C163 PolarHBondContact O-N 3.48Å; S143-C163 CarbonylContact O-C 3.58Å; S143-C163 WeakPolarHBondContact O-CA 3.44Å; S143-C163 WeakPolarHBondContact O-CB 3.31Å; C146-C163 HydrophobicContact CB-CB 4.38Å; C163-C168 HydrophobicContact CB-CB 3.86Å; C163-C168 WeakPolarHBondContact CB-SG 3.36Å; C163-C168 PolarHBondContact O-SG 3.03Å; C163-C168 VanDerWaalsContact O-SG 3.41Å; C163-C168 WeakPolarHBondContact SG-CB 3.39Å; C163-C168 CovalentContact SG-SG 2.01Å; C163-C168 PolarHBondContact SG-SG 3.29Å; C163-N169 PolarHBondContact SG-N 2.72Å
164	S	89.9	Confident	90.3	Very high	48 Å²	48	38.7 Å²	38.7	34%	0.336	24%	0.238	S	C	.	.			trans	-119.8	11.1	-167.9	68.3	0	0	0	0	115.7	Q74 A141 S143	Q74-S164 PolarHBondContact OE1-O 3.46Å; A141-S164 WeakPolarHBondContact O-CB 3.42Å; S143-S164 PolarHBondContact O-N 3.24Å
165	S	89.8	Confident	90.1	Very high	61 Å²	61	35.1 Å²	35.1	43%	0.427	22%	0.216	S	C	.	.	S	Bend	trans	-98.8	152.8	174.2	-174	0	0	0	0	109.6	Q74 E167 C168	Q74-S165 PolarHBondContact NE2-O 3.4Å; Q74-S165 VanDerWaalsContact NE2-O 3.17Å; S165-E167 PolarHBondContact O-N 3.07Å; S165-C168 WeakPolarHBondContact O-CB 3.25Å; S165-C168 PolarHBondContact O-N 3.42Å; S165-C168 PolarHBondContact O-SG 3.35Å
166	D	92.3	Very high	89.2	Confident	95 Å²	95	37.7 Å²	37.7	51%	0.508	21%	0.207	S	C	.	.	T	Hydrogen-bonded Turn	trans	-57.7	130	-179.1	-71.5	-22	0	0	0	111.6	Q74 L75 C168	Q74-D166 PolarHBondContact NE2-OD1 3.08Å; L75-D166 HydrophobicContact CB-CB 4.2Å; L75-D166 PolarHBondContact N-OD1 3.11Å; L75-D166 WeakPolarHBondContact O-CA 3.44Å; D166-C168 PolarHBondContact O-N 3.5Å
167	E	93.3	Very high	87.4	Confident	68 Å²	68	42.5 Å²	42.5	32%	0.318	23%	0.229	S	C	.	.	T	Hydrogen-bonded Turn	trans	54	21.9	-177.4	-52.3	-170.3	159.8	0	0	114.6	L75 K77 T99 S165 N169 D170	L75-E167 PolarHBondContact O-N 2.85Å; K77-E167 WeakPolarHBondContact CE-OE2 3.21Å; K77-E167 HydrophobicContact CG-CB 4.35Å; K77-E167 IonicContact NZ-OE1 3.14Å; K77-E167 PolarHBondContact NZ-OE1 2.95Å; K77-E167 IonicContact NZ-OE2 2.95Å; K77-E167 PolarHBondContact NZ-OE2 3.21Å; T99-E167 VanDerWaalsContact CB-OE1 3.32Å; T99-E167 WeakPolarHBondContact CB-OE1 3.5Å; T99-E167 HydrophobicContact CG2-CG 3.99Å; T99-E167 WeakPolarHBondContact CG2-OE1 3.39Å; T99-E167 PolarHBondContact OG1-OE1 3.35Å; S165-E167 PolarHBondContact O-N 3.07Å; E167-N169 PolarHBondContact O-N 3.14Å; E167-N169 VanDerWaalsContact O-N 3.08Å; E167-D170 VanDerWaalsContact O-CB 3.29Å; E167-D170 WeakPolarHBondContact O-CB 3.44Å; E167-D170 PolarHBondContact O-N 3.42Å
168	C	93.4	Very high	85	Confident	13 Å²	13	49.2 Å²	49.2	9%	0.088	25%	0.25	C	S	.	.	G	3₁₀ helix	trans	-63.4	-21.3	-174.4	62.9	0	0	0	0	114.2	C109 C146 C163 S165 D166 D170	C109-C168 VanDerWaalsContact CB-SG 3.56Å; C146-C168 WeakPolarHBondContact CB-O 3.49Å; C163-C168 HydrophobicContact CB-CB 3.86Å; C163-C168 WeakPolarHBondContact CB-SG 3.36Å; C163-C168 PolarHBondContact O-SG 3.03Å; C163-C168 VanDerWaalsContact O-SG 3.41Å; C163-C168 WeakPolarHBondContact SG-CB 3.39Å; C163-C168 CovalentContact SG-SG 2.01Å; C163-C168 PolarHBondContact SG-SG 3.29Å; S165-C168 WeakPolarHBondContact O-CB 3.25Å; S165-C168 PolarHBondContact O-N 3.42Å; S165-C168 PolarHBondContact O-SG 3.35Å; D166-C168 PolarHBondContact O-N 3.5Å; C168-D170 PolarHBondContact O-N 3.37Å
169	N	94	Very high	82.6	Confident	0 Å²	0	56.6 Å²	56.6	0%	0	29%	0.29	C	S	.	.	G	3₁₀ helix	trans	-78.9	1.7	175.3	65.4	-23.5	0	0	0	113.3	K77 C109 V110 A111 T124 C163 E167	K77-N169 PolarHBondContact N-OD1 2.88Å; K77-N169 PolarHBondContact O-ND2 3.42Å; C109-N169 HydrophobicContact CB-CB 3.76Å; V110-N169 PolarHBondContact O-ND2 2.98Å; A111-N169 HydrophobicContact CB-CB 4.17Å; T124-N169 WeakPolarHBondContact CB-ND2 3.43Å; C163-N169 PolarHBondContact SG-N 2.72Å; E167-N169 PolarHBondContact O-N 3.14Å; E167-N169 VanDerWaalsContact O-N 3.08Å
170	D	94.1	Very high	79.8	Confident	38 Å²	38	59.9 Å²	59.9	20%	0.203	31%	0.312	C	S	.	.	G	3₁₀ helix	trans	-75	-38.7	169.6	-159.2	15.7	0	0	0	111.9	K77 L93 S94 E167 C168	K77-D170 HydrophobicContact CD-CB 4.48Å; K77-D170 WeakPolarHBondContact CE-OD2 3.31Å; K77-D170 HydrophobicContact CG-CB 3.59Å; L93-D170 CarbonylContact C-O 3.47Å; L93-D170 VanDerWaalsContact CA-O 3.23Å; L93-D170 WeakPolarHBondContact CA-O 3.3Å; S94-D170 WeakPolarHBondContact CB-OD1 3.49Å; S94-D170 PolarHBondContact N-O 2.98Å; S94-D170 PolarHBondContact N-OD1 2.8Å; S94-D170 PolarHBondContact OG-OD1 3.05Å; E167-D170 VanDerWaalsContact O-CB 3.29Å; E167-D170 WeakPolarHBondContact O-CB 3.44Å; E167-D170 PolarHBondContact O-N 3.42Å; C168-D170 PolarHBondContact O-N 3.37Å
171	N	92.9	Very high	77.6	Confident	78 Å²	78	64.6 Å²	64.6	42%	0.417	35%	0.346	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.5	108.1	179.1	-171.7	13.2	0	0	0	111	L93	L93-N171 HydrophobicContact CD2-CB 4.48Å
172	I	92.1	Very high	75.1	Confident	0 Å²	0	69.1 Å²	69.1	0%	0	37%	0.369	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102	127.9	-172.3	-62.9	169.4	0	0	0	109.4	S91 C92 A111 L122 M148 F174	S91-I172 CarbonylContact C-O 3.58Å; S91-I172 WeakPolarHBondContact CA-O 3.3Å; S91-I172 VanDerWaalsContact CB-O 3.32Å; S91-I172 WeakPolarHBondContact CB-O 3.23Å; C92-I172 PolarHBondContact N-O 3.46Å; C92-I172 PolarHBondContact O-N 3.16Å; A111-I172 HydrophobicContact CB-CD1 4.11Å; A111-I172 HydrophobicContact CB-CG1 4.16Å; L122-I172 HydrophobicContact CD1-CD1 3.39Å; L122-I172 HydrophobicContact CD2-CD1 3.66Å; L122-I172 HydrophobicContact CG-CD1 4.12Å; M148-I172 HydrophobicContact CE-CB 4.32Å; M148-I172 HydrophobicContact CE-CD1 4.08Å; M148-I172 HydrophobicContact CE-CG1 4.14Å; M148-I172 HydrophobicContact CE-CG2 3.27Å; M148-I172 HydrophobicContact CG-CG2 3.26Å; M148-I172 HydrophobicContact SD-CG2 4.07Å; I172-F174 HydrophobicContact CG2-CD2 4.26Å; I172-F174 HydrophobicContact CG2-CE2 3.59Å; I172-F174 HydrophobicContact CG2-CZ 3.96Å
173	I	90.8	Very high	73	Confident	25 Å²	25	73.4 Å²	73.4	13%	0.128	40%	0.397	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.7	117.9	-171.3	-54.7	168.3	0	0	0	110.5	K145 C146 M148	K145-I173 HydrophobicContact CB-CD1 4.22Å; K145-I173 HydrophobicContact CD-CD1 4.13Å; C146-I173 PolarHBondContact O-N 3.03Å; M148-I173 WeakPolarHBondContact CB-O 3.48Å; M148-I173 PolarHBondContact N-O 2.93Å
174	F	87.3	Confident	71.2	Confident	31 Å²	31	79 Å²	79	14%	0.136	43%	0.427	C	S	.	.	S	Bend	trans	-96.3	-24.1	178.4	-66.9	-90.6	0	0	0	114.2	N88 K90 W113 M148 F159 I172	N88-F174 HydrophobicContact CB-CD1 3.81Å; N88-F174 HydrophobicContact CB-CE1 3.88Å; N88-F174 HydrophobicContact CB-CG 4.16Å; N88-F174 HydrophobicContact CB-CZ 4.31Å; K90-F174 WeakPolarHBondContact O-CB 3.39Å; K90-F174 WeakPolarHBondContact O-CD2 3.47Å; K90-F174 PolarHBondContact O-N 3.04Å; W113-F174 HydrophobicContact CB-CE1 4.46Å; W113-F174 HydrophobicContact CB-CZ 4Å; W113-F174 AromaticContact CD1-CZ 3.73Å; W113-F174 HydrophobicContact CD2-CE1 4.11Å; W113-F174 AromaticContact CD2-CZ 3.83Å; W113-F174 HydrophobicContact CD2-CZ 3.83Å; W113-F174 HydrophobicContact CE3-CE1 4.3Å; W113-F174 HydrophobicContact CE3-CZ 4.48Å; W113-F174 HydrophobicContact CG-CE1 4.21Å; W113-F174 AromaticContact CG-CZ 3.61Å; W113-F174 HydrophobicContact CG-CZ 3.61Å; W113-F174 AromaticContact NE1-CZ 3.97Å; M148-F174 HydrophobicContact CB-CD1 3.65Å; M148-F174 HydrophobicContact CB-CE1 3.75Å; M148-F174 HydrophobicContact CB-CG 4.17Å; M148-F174 HydrophobicContact CB-CZ 4.33Å; M148-F174 HydrophobicContact CG-CD1 4.07Å; M148-F174 HydrophobicContact CG-CE1 3.75Å; M148-F174 HydrophobicContact CG-CE2 4.26Å; M148-F174 HydrophobicContact CG-CG 4.48Å; M148-F174 HydrophobicContact CG-CZ 3.84Å; F159-F174 HydrophobicContact CB-CE1 3.92Å; F159-F174 AromaticContact CD1-CD1 3.93Å; F159-F174 HydrophobicContact CD1-CD1 3.93Å; F159-F174 AromaticContact CD1-CE1 4Å; F159-F174 HydrophobicContact CD1-CE1 4Å; F159-F174 HydrophobicContact CD2-CE1 4.06Å; F159-F174 HydrophobicContact CE1-CD1 4.12Å; F159-F174 HydrophobicContact CG-CD1 4.13Å; F159-F174 AromaticContact CG-CE1 3.74Å; F159-F174 HydrophobicContact CG-CE1 3.74Å; I172-F174 HydrophobicContact CG2-CD2 4.26Å; I172-F174 HydrophobicContact CG2-CE2 3.59Å; I172-F174 HydrophobicContact CG2-CZ 3.96Å
175	S	73.9	Confident	69.4	Low	59 Å²	59	81.9 Å²	81.9	41%	0.413	44%	0.438	S	S	.	.	S	Bend	trans	-141.5	125.6	177	63.2	0	0	0	0	110.2	E177	S175-E177 PolarHBondContact O-N 3.2Å
176	E	57.7	Low	67.8	Low	133 Å²	133	83.8 Å²	83.8	62%	0.621	44%	0.443	S	S	*	.			trans	-67.1	117.1	168	-69.6	-172.9	156.4	0	0	108.6	Y178	E176-Y178 VanDerWaalsContact C-N 3.34Å; E176-Y178 PolarHBondContact O-N 3.1Å
177	E	48.3	Very low	66.2	Low	152 Å²	152	84.1 Å²	84.1	71%	0.71	44%	0.444	S	S	*	.			trans	-62.3	102.3	163.6	-80.8	-175.2	169.4	0	0	107.5	S175 N179	S175-E177 PolarHBondContact O-N 3.2Å; E177-N179 PolarHBondContact O-N 3.27Å
178	Y	37.8	Very low	64.6	Low	192 Å²	192	84.7 Å²	84.7	75%	0.753	45%	0.452	S	S	*	.			trans	-62.4	91	165.2	-123	-92.7	0	0	0	107	E176 T180	E176-Y178 VanDerWaalsContact C-N 3.34Å; E176-Y178 PolarHBondContact O-N 3.1Å; Y178-T180 HydrophobicContact CD1-CG2 3.69Å; Y178-T180 HydrophobicContact CE1-CG2 4.05Å; Y178-T180 PolarHBondContact O-N 2.83Å; Y178-T180 PolarHBondContact O-OG1 3.3Å
179	N	38.8	Very low	63.1	Low	156 Å²	156	88 Å²	88	83%	0.834	47%	0.469	S	S	*	.			trans	-69.4	65.9	163	-99.4	-29.2	0	0	0	108.9	E177 S181	E177-N179 PolarHBondContact O-N 3.27Å; N179-S181 PolarHBondContact O-N 3.44Å
180	T	34.6	Very low	61.6	Low	94 Å²	94	94.9 Å²	94.9	58%	0.577	50%	0.498	S	S	*	.			trans	-80.3	97	159.2	22.4	0	0	0	0	107.7	Y178 N182	Y178-T180 HydrophobicContact CD1-CG2 3.69Å; Y178-T180 HydrophobicContact CE1-CG2 4.05Å; Y178-T180 PolarHBondContact O-N 2.83Å; Y178-T180 PolarHBondContact O-OG1 3.3Å; T180-N182 PolarHBondContact O-N 2.87Å
181	S	46.1	Very low	60.1	Low	104 Å²	104	98.5 Å²	98.5	73%	0.727	51%	0.514	S	S	*	.			trans	19.4	90.6	143.3	53.9	0	0	0	0	114.7	N179 P183	N179-S181 PolarHBondContact O-N 3.44Å; S181-P183 WeakPolarHBondContact O-CD 3.35Å
182	N	41.8	Very low	58.8	Low	101 Å²	101	98.8 Å²	98.8	54%	0.54	52%	0.519	S	S	.	.			trans	-88.6	99.9	162.4	-163.2	-13.9	0	0	0	107.5	T180 D184 L185	T180-N182 PolarHBondContact O-N 2.87Å; N182-D184 PolarHBondContact O-N 2.84Å; N182-D184 VanDerWaalsContact O-N 3.1Å; N182-L185 PolarHBondContact O-N 3.27Å
183	P	51.2	Low	57.8	Low	93 Å²	93	101.7 Å²	101.7	60%	0.604	54%	0.536	S	S	*	.	H	α-helix	trans	-62.2	-18.8	-175	26	-33.9	0	0	0	112.7	S181	S181-P183 WeakPolarHBondContact O-CD 3.35Å
184	D	54.4	Low	56.7	Low	117 Å²	117	101.8 Å²	101.8	63%	0.626	54%	0.544	S	S	*	.	H	α-helix	trans	-78.5	-27.3	-179.4	-65.8	-29.4	0	0	0	113.1	N182 V188	N182-D184 PolarHBondContact O-N 2.84Å; N182-D184 VanDerWaalsContact O-N 3.1Å; D184-V188 VanDerWaalsContact O-CG2 3.31Å; D184-V188 WeakPolarHBondContact O-CG2 3.49Å; D184-V188 PolarHBondContact O-N 2.54Å
185	L	52.4	Low	56	Low	109 Å²	109	106.5 Å²	106.5	57%	0.571	57%	0.569	S	S	*	*	H	α-helix	trans	-76.6	-40	-179.8	-171.3	68.3	0	0	0	112	N182 L187 V188 I189	N182-L185 PolarHBondContact O-N 3.27Å; L185-L187 VanDerWaalsContact C-N 3.28Å; L185-L187 PolarHBondContact O-N 2.65Å; L185-V188 PolarHBondContact O-N 3.16Å; L185-I189 HydrophobicContact CD2-CD1 4.47Å; L185-I189 HydrophobicContact CG-CD1 3.96Å; L185-I189 VanDerWaalsContact O-CG1 3.24Å; L185-I189 WeakPolarHBondContact O-CG1 3.26Å; L185-I189 PolarHBondContact O-N 3.24Å
186	L	56.9	Low	55.8	Low	102 Å²	102	107.1 Å²	107.1	53%	0.534	57%	0.573	S	S	.	*	H	α-helix	trans	-61.3	-39.6	175.1	-96.9	164.8	0	0	0	111.2	I189 F190	L186-I189 PolarHBondContact O-N 3.14Å; L186-F190 HydrophobicContact CB-CD2 4.47Å; L186-F190 HydrophobicContact CB-CE2 4.35Å; L186-F190 HydrophobicContact CD2-CD2 4.26Å; L186-F190 HydrophobicContact CD2-CE2 3.56Å; L186-F190 HydrophobicContact CD2-CZ 4.12Å; L186-F190 WeakPolarHBondContact O-CD2 3.5Å; L186-F190 PolarHBondContact O-N 2.98Å
187	L	59	Low	56.7	Low	101 Å²	101	105.4 Å²	105.4	53%	0.529	57%	0.568	S	S	.	*	H	α-helix	trans	-67.4	-38.6	-178.5	-152.1	142.8	0	0	0	111.7	L185 Q191	L185-L187 VanDerWaalsContact C-N 3.28Å; L185-L187 PolarHBondContact O-N 2.65Å; L187-Q191 WeakPolarHBondContact O-CG 3.28Å; L187-Q191 PolarHBondContact O-N 2.98Å; L187-Q191 VanDerWaalsContact O-N 3.17Å
188	V	59.6	Low	58	Low	80 Å²	80	104.1 Å²	104.1	49%	0.485	57%	0.565	S	S	.	*	H	α-helix	trans	-68.8	-41.1	173.8	176.3	0	0	0	0	111.4	D184 L185 Q191 V192	D184-V188 VanDerWaalsContact O-CG2 3.31Å; D184-V188 WeakPolarHBondContact O-CG2 3.49Å; D184-V188 PolarHBondContact O-N 2.54Å; L185-V188 PolarHBondContact O-N 3.16Å; V188-Q191 PolarHBondContact O-N 2.77Å; V188-V192 HydrophobicContact CG1-CG2 4.35Å; V188-V192 WeakPolarHBondContact O-CG2 3.34Å; V188-V192 PolarHBondContact O-N 2.95Å
189	I	61.4	Low	60	Low	84 Å²	84	98.8 Å²	98.8	43%	0.431	55%	0.554	S	S	.	*	H	α-helix	trans	-62.9	-45	177.5	-68.8	166.7	0	0	0	110.9	L185 L186 Q191 V192 T193	L185-I189 HydrophobicContact CD2-CD1 4.47Å; L185-I189 HydrophobicContact CG-CD1 3.96Å; L185-I189 VanDerWaalsContact O-CG1 3.24Å; L185-I189 WeakPolarHBondContact O-CG1 3.26Å; L185-I189 PolarHBondContact O-N 3.24Å; L186-I189 PolarHBondContact O-N 3.14Å; I189-Q191 VanDerWaalsContact C-N 3.33Å; I189-Q191 PolarHBondContact O-N 3.41Å; I189-V192 PolarHBondContact O-N 3.47Å; I189-T193 HydrophobicContact CG2-CG2 4.39Å; I189-T193 WeakPolarHBondContact O-CB 3.34Å; I189-T193 PolarHBondContact O-N 3.42Å; I189-T193 PolarHBondContact O-OG1 3.45Å
190	F	63.1	Low	61.9	Low	143 Å²	143	94.7 Å²	94.7	63%	0.627	54%	0.536	S	S	*	.	H	α-helix	trans	-63.7	-36	177.4	-78	-60.4	0	0	0	112.9	L186 T193 G194	L186-F190 HydrophobicContact CB-CD2 4.47Å; L186-F190 HydrophobicContact CB-CE2 4.35Å; L186-F190 HydrophobicContact CD2-CD2 4.26Å; L186-F190 HydrophobicContact CD2-CE2 3.56Å; L186-F190 HydrophobicContact CD2-CZ 4.12Å; L186-F190 WeakPolarHBondContact O-CD2 3.5Å; L186-F190 PolarHBondContact O-N 2.98Å; F190-T193 WeakPolarHBondContact CA-OG1 3.36Å; F190-T193 PolarHBondContact O-OG1 3.39Å; F190-G194 PolarHBondContact O-N 3.12Å
191	Q	62.8	Low	64.1	Low	115 Å²	115	95 Å²	95	54%	0.537	53%	0.534	S	S	.	.	H	α-helix	trans	-69	-44.3	176.4	-75	-178.9	-11.5	0	0	112.1	L187 V188 I189 I195	L187-Q191 WeakPolarHBondContact O-CG 3.28Å; L187-Q191 PolarHBondContact O-N 2.98Å; L187-Q191 VanDerWaalsContact O-N 3.17Å; V188-Q191 PolarHBondContact O-N 2.77Å; I189-Q191 VanDerWaalsContact C-N 3.33Å; I189-Q191 PolarHBondContact O-N 3.41Å; Q191-I195 WeakPolarHBondContact O-CB 3.43Å; Q191-I195 WeakPolarHBondContact O-CD1 3.42Å; Q191-I195 VanDerWaalsContact O-CG1 3.24Å; Q191-I195 WeakPolarHBondContact O-CG1 3.35Å; Q191-I195 PolarHBondContact O-N 3.45Å; Q191-I195 VanDerWaalsContact O-N 3.12Å
192	V	65.6	Low	66.2	Low	84 Å²	84	91.7 Å²	91.7	51%	0.509	52%	0.516	S	S	.	.	H	α-helix	trans	-71.7	-40	-178.3	176.2	0	0	0	0	111.7	V188 I189 S196	V188-V192 HydrophobicContact CG1-CG2 4.35Å; V188-V192 WeakPolarHBondContact O-CG2 3.34Å; V188-V192 PolarHBondContact O-N 2.95Å; I189-V192 PolarHBondContact O-N 3.47Å; V192-S196 VanDerWaalsContact O-CB 3.25Å; V192-S196 WeakPolarHBondContact O-CB 3.27Å; V192-S196 PolarHBondContact O-N 3.05Å; V192-S196 VanDerWaalsContact O-N 3.08Å; V192-S196 PolarHBondContact O-OG 3.36Å
193	T	69.2	Low	68.4	Low	60 Å²	60	91.3 Å²	91.3	37%	0.368	52%	0.517	S	S	.	.	H	α-helix	trans	-68.5	-41.9	176.1	44.6	0	0	0	0	112.1	I189 F190 S196 L197	I189-T193 HydrophobicContact CG2-CG2 4.39Å; I189-T193 WeakPolarHBondContact O-CB 3.34Å; I189-T193 PolarHBondContact O-N 3.42Å; I189-T193 PolarHBondContact O-OG1 3.45Å; F190-T193 WeakPolarHBondContact CA-OG1 3.36Å; F190-T193 PolarHBondContact O-OG1 3.39Å; T193-S196 PolarHBondContact O-N 2.98Å; T193-L197 HydrophobicContact CG2-CD1 4.48Å; T193-L197 VanDerWaalsContact O-CB 3.26Å; T193-L197 WeakPolarHBondContact O-CB 3.43Å; T193-L197 WeakPolarHBondContact O-CG 3.42Å; T193-L197 PolarHBondContact O-N 2.85Å
194	G	68.3	Low	70.1	Confident	28 Å²	28	89.2 Å²	89.2	29%	0.289	51%	0.507	S	S	.	.	H	α-helix	trans	-59.8	-49	176.1	0	0	0	0	0	112.5	F190 S196 L198	F190-G194 PolarHBondContact O-N 3.12Å; G194-S196 VanDerWaalsContact C-N 3.35Å; G194-S196 PolarHBondContact O-N 3.41Å; G194-L198 VanDerWaalsContact O-CB 3.27Å; G194-L198 WeakPolarHBondContact O-CB 3.34Å; G194-L198 VanDerWaalsContact O-CD1 3.26Å; G194-L198 WeakPolarHBondContact O-CD1 3.12Å; G194-L198 WeakPolarHBondContact O-CG 3.44Å; G194-L198 PolarHBondContact O-N 3.24Å
195	I	73	Confident	71.9	Confident	129 Å²	129	87.9 Å²	87.9	66%	0.662	50%	0.499	S	S	*	.	H	α-helix	trans	-70	-32.1	-177.5	-63.9	167.8	0	0	0	111.8	Q191 P199	Q191-I195 WeakPolarHBondContact O-CB 3.43Å; Q191-I195 WeakPolarHBondContact O-CD1 3.42Å; Q191-I195 VanDerWaalsContact O-CG1 3.24Å; Q191-I195 WeakPolarHBondContact O-CG1 3.35Å; Q191-I195 PolarHBondContact O-N 3.45Å; Q191-I195 VanDerWaalsContact O-N 3.12Å; I195-P199 WeakPolarHBondContact O-CD 3.48Å
196	S	70.8	Confident	73.6	Confident	72 Å²	72	85.6 Å²	85.6	50%	0.503	49%	0.493	S	S	.	.	H	α-helix	trans	-84.6	-30.9	-177.4	-55	0	0	0	0	113.9	V192 T193 G194 P200	V192-S196 VanDerWaalsContact O-CB 3.25Å; V192-S196 WeakPolarHBondContact O-CB 3.27Å; V192-S196 PolarHBondContact O-N 3.05Å; V192-S196 VanDerWaalsContact O-N 3.08Å; V192-S196 PolarHBondContact O-OG 3.36Å; T193-S196 PolarHBondContact O-N 2.98Å; G194-S196 VanDerWaalsContact C-N 3.35Å; G194-S196 PolarHBondContact O-N 3.41Å; S196-P200 WeakPolarHBondContact O-CD 3.38Å; S196-P200 WeakPolarHBondContact O-CG 3.34Å
197	L	74.7	Confident	75.3	Confident	98 Å²	98	85 Å²	85	51%	0.513	49%	0.493	S	S	.	.	H	α-helix	trans	-96.8	-24.9	-173.8	-66.7	168.6	0	0	0	113.7	T193 P200 L201	T193-L197 HydrophobicContact CG2-CD1 4.48Å; T193-L197 VanDerWaalsContact O-CB 3.26Å; T193-L197 WeakPolarHBondContact O-CB 3.43Å; T193-L197 WeakPolarHBondContact O-CG 3.42Å; T193-L197 PolarHBondContact O-N 2.85Å; L197-P200 VanDerWaalsContact O-CD 3.29Å; L197-P200 WeakPolarHBondContact O-CD 3.45Å; L197-P200 WeakPolarHBondContact O-CG 3.2Å; L197-L201 WeakPolarHBondContact O-CB 3.34Å; L197-L201 PolarHBondContact O-N 3.3Å; L197-L201 VanDerWaalsContact O-N 3.12Å
198	L	77	Confident	76.8	Confident	125 Å²	125	85.6 Å²	85.6	65%	0.654	50%	0.495	S	S	*	.	H	α-helix	trans	-63.2	-44.1	178.9	-78.3	168.7	0	0	0	113.7	G194 G202	G194-L198 VanDerWaalsContact O-CB 3.27Å; G194-L198 WeakPolarHBondContact O-CB 3.34Å; G194-L198 VanDerWaalsContact O-CD1 3.26Å; G194-L198 WeakPolarHBondContact O-CD1 3.12Å; G194-L198 WeakPolarHBondContact O-CG 3.44Å; G194-L198 PolarHBondContact O-N 3.24Å; L198-G202 PolarHBondContact O-N 3.11Å
199	P	80.1	Confident	78.3	Confident	80 Å²	80	86.2 Å²	86.2	52%	0.519	50%	0.495	S	S	.	.	H	α-helix	trans	-62.2	-48.8	177.2	-19.9	30.7	0	0	0	114.3	I195 L201 G202 V203	I195-P199 WeakPolarHBondContact O-CD 3.48Å; P199-L201 PolarHBondContact O-N 3.35Å; P199-G202 PolarHBondContact O-N 3.45Å; P199-V203 WeakPolarHBondContact O-CG2 3.44Å; P199-V203 PolarHBondContact O-N 2.85Å
200	P	77.8	Confident	79.8	Confident	70 Å²	70	87.9 Å²	87.9	46%	0.455	50%	0.504	S	S	.	.	H	α-helix	trans	-68.1	-33.4	178.5	23	-30.2	0	0	0	113.1	S196 L197 V203 A204	S196-P200 WeakPolarHBondContact O-CD 3.38Å; S196-P200 WeakPolarHBondContact O-CG 3.34Å; L197-P200 VanDerWaalsContact O-CD 3.29Å; L197-P200 WeakPolarHBondContact O-CD 3.45Å; L197-P200 WeakPolarHBondContact O-CG 3.2Å; P200-V203 PolarHBondContact O-N 3.25Å; P200-A204 WeakPolarHBondContact O-CB 3.34Å; P200-A204 PolarHBondContact O-N 3.38Å
201	L	81.7	Confident	81	Confident	101 Å²	101	86.6 Å²	86.6	53%	0.529	50%	0.498	S	S	.	.	H	α-helix	trans	-62.6	-42.1	171.3	-100.6	148.4	0	0	0	111.9	L197 P199 V203 A204 I205	L197-L201 WeakPolarHBondContact O-CB 3.34Å; L197-L201 PolarHBondContact O-N 3.3Å; L197-L201 VanDerWaalsContact O-N 3.12Å; P199-L201 PolarHBondContact O-N 3.35Å; L201-V203 VanDerWaalsContact C-N 3.34Å; L201-V203 PolarHBondContact O-N 3.25Å; L201-A204 PolarHBondContact O-N 3.19Å; L201-I205 WeakPolarHBondContact O-CB 3.21Å; L201-I205 VanDerWaalsContact O-CG1 3.26Å; L201-I205 WeakPolarHBondContact O-CG1 3.4Å; L201-I205 PolarHBondContact O-N 3.39Å
202	G	88.8	Confident	82.3	Confident	34 Å²	34	88.8 Å²	88.8	35%	0.351	50%	0.502	S	S	.	.	H	α-helix	trans	-62.1	-39.8	175.2	0	0	0	0	0	112.8	L198 P199 S206	L198-G202 PolarHBondContact O-N 3.11Å; P199-G202 PolarHBondContact O-N 3.45Å; G202-S206 WeakPolarHBondContact O-CB 3.48Å; G202-S206 PolarHBondContact O-N 3.24Å; G202-S206 PolarHBondContact O-OG 2.96Å
203	V	88.9	Confident	83.3	Confident	92 Å²	92	87.7 Å²	87.7	56%	0.558	50%	0.498	S	S	*	.	H	α-helix	trans	-67	-44.6	175	174.7	0	0	0	0	111	P199 P200 L201 I205 S206 V207	P199-V203 WeakPolarHBondContact O-CG2 3.44Å; P199-V203 PolarHBondContact O-N 2.85Å; P200-V203 PolarHBondContact O-N 3.25Å; L201-V203 VanDerWaalsContact C-N 3.34Å; L201-V203 PolarHBondContact O-N 3.25Å; V203-I205 PolarHBondContact O-N 3.02Å; V203-S206 PolarHBondContact O-N 2.98Å; V203-V207 HydrophobicContact CG1-CG2 4.41Å; V203-V207 WeakPolarHBondContact O-CG2 3.49Å; V203-V207 PolarHBondContact O-N 3.03Å
204	A	87.1	Confident	84.1	Confident	49 Å²	49	91.6 Å²	91.6	41%	0.405	51%	0.507	S	S	.	.	H	α-helix	trans	-60.8	-45.7	178.1	0	0	0	0	0	111.8	P200 L201 S206 V207 I208	P200-A204 WeakPolarHBondContact O-CB 3.34Å; P200-A204 PolarHBondContact O-N 3.38Å; L201-A204 PolarHBondContact O-N 3.19Å; A204-S206 VanDerWaalsContact C-N 3.33Å; A204-S206 PolarHBondContact O-N 2.97Å; A204-V207 PolarHBondContact O-N 3.14Å; A204-I208 VanDerWaalsContact O-CG1 3.26Å; A204-I208 WeakPolarHBondContact O-CG1 3.24Å; A204-I208 PolarHBondContact O-N 3.35Å
205	I	91	Very high	84.8	Confident	89 Å²	89	97.2 Å²	97.2	46%	0.456	52%	0.519	S	S	.	.	H	α-helix	trans	-62.3	-42.2	175.9	-67.6	167.4	0	0	0	110.6	L201 V203 V207 I208 I209	L201-I205 WeakPolarHBondContact O-CB 3.21Å; L201-I205 VanDerWaalsContact O-CG1 3.26Å; L201-I205 WeakPolarHBondContact O-CG1 3.4Å; L201-I205 PolarHBondContact O-N 3.39Å; V203-I205 PolarHBondContact O-N 3.02Å; I205-V207 PolarHBondContact O-N 3.34Å; I205-I208 PolarHBondContact O-N 3.13Å; I205-I209 HydrophobicContact CG2-CD1 3.76Å; I205-I209 HydrophobicContact CG2-CG1 4.39Å; I205-I209 VanDerWaalsContact O-CG1 3.29Å; I205-I209 WeakPolarHBondContact O-CG1 3.38Å; I205-I209 PolarHBondContact O-N 3.48Å
206	S	88.9	Confident	85.1	Confident	62 Å²	62	93.2 Å²	93.2	43%	0.434	50%	0.501	S	S	.	.	H	α-helix	trans	-62.7	-41.2	177.2	-59.9	0	0	0	0	112	G202 V203 A204 I209 I210	G202-S206 WeakPolarHBondContact O-CB 3.48Å; G202-S206 PolarHBondContact O-N 3.24Å; G202-S206 PolarHBondContact O-OG 2.96Å; V203-S206 PolarHBondContact O-N 2.98Å; A204-S206 VanDerWaalsContact C-N 3.33Å; A204-S206 PolarHBondContact O-N 2.97Å; S206-I209 PolarHBondContact O-N 3.48Å; S206-I210 WeakPolarHBondContact O-CB 3.47Å; S206-I210 WeakPolarHBondContact O-CD1 3.48Å; S206-I210 WeakPolarHBondContact O-CG1 3.41Å; S206-I210 PolarHBondContact O-N 3.08Å
207	V	92.4	Very high	85.3	Confident	88 Å²	88	94.4 Å²	94.4	53%	0.533	50%	0.502	S	S	.	.	H	α-helix	trans	-65.2	-41.3	175.7	171.7	0	0	0	0	111.2	V203 A204 I205 I210 F211	V203-V207 HydrophobicContact CG1-CG2 4.41Å; V203-V207 WeakPolarHBondContact O-CG2 3.49Å; V203-V207 PolarHBondContact O-N 3.03Å; A204-V207 PolarHBondContact O-N 3.14Å; I205-V207 PolarHBondContact O-N 3.34Å; V207-I210 PolarHBondContact O-N 3.41Å; V207-F211 VanDerWaalsContact O-CB 3.3Å; V207-F211 WeakPolarHBondContact O-CB 3.47Å; V207-F211 PolarHBondContact O-N 3.09Å
208	I	91	Very high	85.2	Confident	114 Å²	114	96.7 Å²	96.7	59%	0.585	50%	0.503	S	S	*	.	H	α-helix	trans	-63.3	-44.1	176.7	-68.4	164.4	0	0	0	110.7	A204 I205 F211 Y212	A204-I208 VanDerWaalsContact O-CG1 3.26Å; A204-I208 WeakPolarHBondContact O-CG1 3.24Å; A204-I208 PolarHBondContact O-N 3.35Å; I205-I208 PolarHBondContact O-N 3.13Å; I208-F211 PolarHBondContact O-N 3.29Å; I208-Y212 VanDerWaalsContact O-CB 3.27Å; I208-Y212 WeakPolarHBondContact O-CB 3.46Å; I208-Y212 PolarHBondContact O-N 3.06Å
209	I	91.5	Very high	84.6	Confident	94 Å²	94	97 Å²	97	48%	0.482	50%	0.501	S	S	.	.	H	α-helix	trans	-64.1	-44.8	177	-67.9	168.7	0	0	0	110.6	I205 S206 F211 Y212 C213	I205-I209 HydrophobicContact CG2-CD1 3.76Å; I205-I209 HydrophobicContact CG2-CG1 4.39Å; I205-I209 VanDerWaalsContact O-CG1 3.29Å; I205-I209 WeakPolarHBondContact O-CG1 3.38Å; I205-I209 PolarHBondContact O-N 3.48Å; S206-I209 PolarHBondContact O-N 3.48Å; I209-F211 VanDerWaalsContact C-N 3.35Å; I209-F211 PolarHBondContact O-N 3Å; I209-Y212 PolarHBondContact O-N 3.11Å; I209-C213 WeakPolarHBondContact O-CB 3.4Å; I209-C213 PolarHBondContact O-N 2.91Å; I209-C213 PolarHBondContact O-SG 2.81Å; I209-C213 VanDerWaalsContact O-SG 3.33Å
210	I	91.7	Very high	83.9	Confident	118 Å²	118	98.9 Å²	98.9	61%	0.605	50%	0.503	S	S	*	.	H	α-helix	trans	-61.6	-43.8	177.1	-69.9	164.6	0	0	0	110.7	S206 V207 Y214	S206-I210 WeakPolarHBondContact O-CB 3.47Å; S206-I210 WeakPolarHBondContact O-CD1 3.48Å; S206-I210 WeakPolarHBondContact O-CG1 3.41Å; S206-I210 PolarHBondContact O-N 3.08Å; V207-I210 PolarHBondContact O-N 3.41Å; I210-Y214 WeakPolarHBondContact O-CB 3.49Å; I210-Y214 PolarHBondContact O-N 2.84Å
211	F	89.6	Confident	83	Confident	116 Å²	116	103.6 Å²	103.6	51%	0.509	52%	0.517	S	S	.	.	H	α-helix	trans	-65.6	-39.8	177.3	-177.4	-102.3	0	0	0	112.1	V207 I208 I209 Y214 R215	V207-F211 VanDerWaalsContact O-CB 3.3Å; V207-F211 WeakPolarHBondContact O-CB 3.47Å; V207-F211 PolarHBondContact O-N 3.09Å; I208-F211 PolarHBondContact O-N 3.29Å; I209-F211 VanDerWaalsContact C-N 3.35Å; I209-F211 PolarHBondContact O-N 3Å; F211-Y214 PolarHBondContact O-N 3.1Å; F211-R215 HydrophobicContact CE1-CG 4.12Å; F211-R215 HydrophobicContact CZ-CG 4.14Å; F211-R215 PolarHBondContact O-N 3Å
212	Y	88.4	Confident	81.8	Confident	161 Å²	161	103.6 Å²	103.6	63%	0.631	52%	0.517	S	S	*	.	H	α-helix	trans	-64.2	-50.6	175.6	-176.6	-97.4	0	0	0	111.3	I208 I209 Y214 R215 V216	I208-Y212 VanDerWaalsContact O-CB 3.27Å; I208-Y212 WeakPolarHBondContact O-CB 3.46Å; I208-Y212 PolarHBondContact O-N 3.06Å; I209-Y212 PolarHBondContact O-N 3.11Å; Y212-Y214 VanDerWaalsContact C-N 3.28Å; Y212-Y214 PolarHBondContact O-N 2.59Å; Y212-R215 PolarHBondContact O-N 3.01Å; Y212-V216 HydrophobicContact CD1-CG2 4.25Å; Y212-V216 HydrophobicContact CE1-CG2 3.89Å; Y212-V216 HydrophobicContact CE2-CG2 4.36Å; Y212-V216 WeakPolarHBondContact O-CG2 3.21Å; Y212-V216 PolarHBondContact O-N 2.66Å
213	C	87.8	Confident	80.2	Confident	62 Å²	62	105.2 Å²	105.2	42%	0.419	52%	0.523	S	S	.	.	H	α-helix	trans	-59.7	-38.4	174.9	-70.1	0	0	0	0	111.9	I209 N217	I209-C213 WeakPolarHBondContact O-CB 3.4Å; I209-C213 PolarHBondContact O-N 2.91Å; I209-C213 PolarHBondContact O-SG 2.81Å; I209-C213 VanDerWaalsContact O-SG 3.33Å; C213-N217 VanDerWaalsContact O-CB 3.29Å; C213-N217 WeakPolarHBondContact O-CB 3.46Å; C213-N217 PolarHBondContact O-N 2.92Å
214	Y	86.4	Confident	78.4	Confident	142 Å²	142	105 Å²	105	56%	0.557	53%	0.525	S	S	*	.	H	α-helix	trans	-64.5	-45.1	174.8	178.1	-102.3	0	0	0	112.1	I210 F211 Y212 R218	I210-Y214 WeakPolarHBondContact O-CB 3.49Å; I210-Y214 PolarHBondContact O-N 2.84Å; F211-Y214 PolarHBondContact O-N 3.1Å; Y212-Y214 VanDerWaalsContact C-N 3.28Å; Y212-Y214 PolarHBondContact O-N 2.59Å; Y214-R218 WeakPolarHBondContact O-CB 3.28Å; Y214-R218 PolarHBondContact O-N 2.96Å
215	R	81.4	Confident	76.6	Confident	145 Å²	145	107 Å²	107	55%	0.547	54%	0.536	S	S	.	.	H	α-helix	trans	-64.4	-41.9	176.5	-80.9	-160.2	101.4	145.7	4.7	112.3	F211 Y212 R218 Q219	F211-R215 HydrophobicContact CE1-CG 4.12Å; F211-R215 HydrophobicContact CZ-CG 4.14Å; F211-R215 PolarHBondContact O-N 3Å; Y212-R215 PolarHBondContact O-N 3.01Å; R215-R218 PolarHBondContact O-N 2.72Å; R215-Q219 WeakPolarHBondContact O-CB 3.46Å; R215-Q219 WeakPolarHBondContact O-CG 3.36Å; R215-Q219 PolarHBondContact O-N 3.33Å
216	V	80	Confident	74.3	Confident	45 Å²	45	112.6 Å²	112.6	27%	0.273	55%	0.552	S	S	.	*	H	α-helix	trans	-66.1	-46.2	179	173.6	0	0	0	0	110.8	Y212 R218 Q219 Q220	Y212-V216 HydrophobicContact CD1-CG2 4.25Å; Y212-V216 HydrophobicContact CE1-CG2 3.89Å; Y212-V216 HydrophobicContact CE2-CG2 4.36Å; Y212-V216 WeakPolarHBondContact O-CG2 3.21Å; Y212-V216 PolarHBondContact O-N 2.66Å; V216-R218 VanDerWaalsContact C-N 3.31Å; V216-R218 PolarHBondContact O-N 3.49Å; V216-Q219 PolarHBondContact O-N 3.1Å; V216-Q220 PolarHBondContact O-N 3.25Å
217	N	75.3	Confident	72.2	Confident	98 Å²	98	118.2 Å²	118.2	52%	0.524	57%	0.571	S	S	.	*	H	α-helix	trans	-65.6	-33.4	176.2	-75.5	-7.9	0	0	0	112.5	C213 K221	C213-N217 VanDerWaalsContact O-CB 3.29Å; C213-N217 WeakPolarHBondContact O-CB 3.46Å; C213-N217 PolarHBondContact O-N 2.92Å; N217-K221 PolarHBondContact O-N 2.87Å; N217-K221 VanDerWaalsContact O-N 3.1Å
218	R	72.6	Confident	69.9	Low	145 Å²	145	118.4 Å²	118.4	55%	0.547	58%	0.582	S	S	.	*	H	α-helix	trans	-69.4	-39.7	174.2	-169.1	-178.2	176.2	-149.3	-1.3	111.6	Y214 R215 V216 K221 L222	Y214-R218 WeakPolarHBondContact O-CB 3.28Å; Y214-R218 PolarHBondContact O-N 2.96Å; R215-R218 PolarHBondContact O-N 2.72Å; V216-R218 VanDerWaalsContact C-N 3.31Å; V216-R218 PolarHBondContact O-N 3.49Å; R218-K221 PolarHBondContact O-N 3.48Å; R218-L222 HydrophobicContact CG-CD1 4.03Å; R218-L222 WeakPolarHBondContact O-CB 3.29Å; R218-L222 WeakPolarHBondContact O-CD1 3.26Å; R218-L222 PolarHBondContact O-N 3.46Å
219	Q	65.3	Low	67.9	Low	131 Å²	131	115.5 Å²	115.5	61%	0.612	58%	0.58	S	S	*	*	H	α-helix	trans	-64.6	-38.8	174.8	-80.9	-175.8	-20.3	0	0	112.1	R215 V216 L222 S223	R215-Q219 WeakPolarHBondContact O-CB 3.46Å; R215-Q219 WeakPolarHBondContact O-CG 3.36Å; R215-Q219 PolarHBondContact O-N 3.33Å; V216-Q219 PolarHBondContact O-N 3.1Å; Q219-L222 PolarHBondContact O-N 2.98Å; Q219-S223 PolarHBondContact O-N 2.82Å
220	Q	63.7	Low	65.2	Low	120 Å²	120	120 Å²	120	56%	0.561	60%	0.596	S	S	*	*	H	α-helix	trans	-68.3	-35.2	175	-71.4	180	-6.2	0	0	113.1	V216 S223 S224	V216-Q220 PolarHBondContact O-N 3.25Å; Q220-S223 PolarHBondContact O-OG 2.87Å; Q220-S223 VanDerWaalsContact O-OG 3.11Å; Q220-S224 WeakPolarHBondContact O-CB 3.43Å; Q220-S224 PolarHBondContact O-N 2.79Å; Q220-S224 VanDerWaalsContact O-N 3.13Å
221	K	60.2	Low	62.5	Low	170 Å²	170	120.5 Å²	120.5	74%	0.739	61%	0.607	S	S	*	*	H	α-helix	trans	-70	-33.1	172.4	-82.4	-174.6	175.2	-177.3	0	113.1	N217 R218 S225	N217-K221 PolarHBondContact O-N 2.87Å; N217-K221 VanDerWaalsContact O-N 3.1Å; R218-K221 PolarHBondContact O-N 3.48Å; K221-S225 PolarHBondContact O-N 3.01Å
222	L	56.1	Low	60.2	Low	101 Å²	101	126.7 Å²	126.7	53%	0.529	63%	0.627	S	S	.	*	H	α-helix	trans	-73.7	-35.9	175.3	-81.5	155.2	0	0	0	112.2	R218 Q219 S225 W226	R218-L222 HydrophobicContact CG-CD1 4.03Å; R218-L222 WeakPolarHBondContact O-CB 3.29Å; R218-L222 WeakPolarHBondContact O-CD1 3.26Å; R218-L222 PolarHBondContact O-N 3.46Å; Q219-L222 PolarHBondContact O-N 2.98Å; L222-S225 PolarHBondContact O-N 3.09Å; L222-W226 PolarHBondContact O-N 3.49Å
223	S	55.3	Low	57.5	Low	67 Å²	67	129.2 Å²	129.2	47%	0.469	64%	0.641	S	S	.	*	H	α-helix	trans	-69.6	-39.2	175.1	74	0	0	0	0	112.3	Q219 Q220 S225 W226 E227	Q219-S223 PolarHBondContact O-N 2.82Å; Q220-S223 PolarHBondContact O-OG 2.87Å; Q220-S223 VanDerWaalsContact O-OG 3.11Å; S223-S225 VanDerWaalsContact C-N 3.29Å; S223-S225 PolarHBondContact O-N 3.25Å; S223-W226 PolarHBondContact O-N 3.49Å; S223-E227 PolarHBondContact O-N 2.75Å
224	S	51.7	Low	55	Low	87 Å²	87	134.3 Å²	134.3	61%	0.608	66%	0.663	S	S	*	*	H	α-helix	trans	-62	-34	173.8	161.9	0	0	0	0	113	Q220	Q220-S224 WeakPolarHBondContact O-CB 3.43Å; Q220-S224 PolarHBondContact O-N 2.79Å; Q220-S224 VanDerWaalsContact O-N 3.13Å
225	S	47.9	Very low	52.2	Low	92 Å²	92	136.4 Å²	136.4	64%	0.643	68%	0.68	S	S	*	*	H	α-helix	trans	-80	-19.7	177.3	-170.2	0	0	0	0	113.3	K221 L222 S223	K221-S225 PolarHBondContact O-N 3.01Å; L222-S225 PolarHBondContact O-N 3.09Å; S223-S225 VanDerWaalsContact C-N 3.29Å; S223-S225 PolarHBondContact O-N 3.25Å
226	W	43	Very low	49.9	Very low	207 Å²	207	136.5 Å²	136.5	78%	0.784	69%	0.692	S	S	*	*	H	α-helix	trans	-88.4	-26	-178.4	-148.5	-12.5	0	0	0	112.6	L222 S223 A228	L222-W226 PolarHBondContact O-N 3.49Å; S223-W226 PolarHBondContact O-N 3.49Å; W226-A228 VanDerWaalsContact C-N 3.34Å
227	E	44.9	Very low	47.3	Very low	179 Å²	179	143.5 Å²	143.5	84%	0.836	72%	0.719	S	S	*	*	T	Hydrogen-bonded Turn	trans	-77.4	-16.3	175.6	-71.9	-163.7	158.8	0	0	114	S223 G229	S223-E227 PolarHBondContact O-N 2.75Å; E227-G229 VanDerWaalsContact C-N 3.3Å; E227-G229 PolarHBondContact O-N 3.36Å
228	A	44.9	Very low	45.1	Very low	93 Å²	93	142.3 Å²	142.3	77%	0.769	72%	0.719	S	S	*	*	T	Hydrogen-bonded Turn	trans	-81.5	-1.5	-179.3	0	0	0	0	0	114.6	W226	W226-A228 VanDerWaalsContact C-N 3.34Å
229	G	49.1	Very low	43.5	Very low	52 Å²	52	143.1 Å²	143.1	54%	0.536	73%	0.728	S	S	.	*	S	Bend	trans	-152.7	73.2	-171.2	0	0	0	0	0	115	E227	E227-G229 VanDerWaalsContact C-N 3.3Å; E227-G229 PolarHBondContact O-N 3.36Å
230	K	33.2	Very low	41.8	Very low	190 Å²	190	145.5 Å²	145.5	83%	0.826	74%	0.739	S	S	*	*			trans	-163.8	134.6	143.2	-109.4	169.8	-170.5	-173.2	0	112.5
231	P	35.3	Very low	40.2	Very low	128 Å²	128	145.1 Å²	145.1	83%	0.831	75%	0.748	S	S	*	*			trans	-77	145.3	169.6	32.3	-32.4	0	0	0	111.3
232	R	41.8	Very low	38.6	Very low	246 Å²	246	141.8 Å²	141.8	93%	0.928	75%	0.753	S	S	*	*			trans	-69.3	130.9	176.9	-78.4	173.3	168.7	168	-4	111.9
233	K	32.4	Very low	37.5	Very low	214 Å²	214	144.4 Å²	144.4	93%	0.93	77%	0.766	S	S	*	*			trans	-154.9	129.7	136.6	-110.4	177.9	-174.8	-177.5	0	110.7
234	L	34.3	Very low	36.5	Very low	168 Å²	168	147.4 Å²	147.4	88%	0.88	78%	0.775	S	S	*	*			trans	-98.2	131.2	179	172.1	77.4	0	0	0	107.9
235	M	28.6	Very low	35.6	Very low	186 Å²	186	151.5 Å²	151.5	92%	0.916	79%	0.789	S	S	*	*			trans	-164.8	133.6	139.4	-118.6	166.9	100.7	0	0	111.7
236	D	31.4	Very low	35	Very low	148 Å²	148	155.4 Å²	155.4	79%	0.791	80%	0.798	S	S	*	*			trans	-43.1	141.5	165.3	-108	-27	0	0	0	114.1
237	F	25.7	Very low	34.4	Very low	192 Å²	192	153.4 Å²	153.4	84%	0.842	80%	0.802	S	S	*	*				178.5	162.5	107.9	-138.3	-104.1	0	0	0	113.1
238	S	30.5	Very low	34.1	Very low	73 Å²	73	152.1 Å²	152.1	51%	0.51	80%	0.801	S	S	.	*			trans	-44.9	161.5	179.7	-154	0	0	0	0	119.1
239	E	37.3	Very low	33.7	Very low	161 Å²	161	159.2 Å²	159.2	75%	0.752	81%	0.808	S	S	*	*			trans	34.8	111.1	145.6	-75.7	165.9	133.6	0	0	119.2
240	H	30.3	Very low	33.1	Very low	181 Å²	181	161.7 Å²	161.7	84%	0.838	82%	0.817	S	S	*	*				170.5	137.3	120.9	-100.7	59.1	0	0	0	109.8
241	C	29.8	Very low	33.5	Very low	112 Å²	112	160.6 Å²	160.6	76%	0.757	82%	0.82	S	S	*	*			trans	153.1	77.5	138.2	-81.2	0	0	0	0	110.6
242	A	27.8	Very low	33.6	Very low	101 Å²	101	161.1 Å²	161.1	84%	0.835	82%	0.815	S	S	*	*	P	Polyproline II helix	trans	-74.9	120.8	142.3	0	0	0	0	0	106.6
243	I	33.2	Very low	33.3	Very low	155 Å²	155	154.2 Å²	154.2	80%	0.795	80%	0.804	S	S	*	*	P	Polyproline II helix	trans	-90.1	120.3	173.3	-66.9	176.5	0	0	0	107.3
244	I	32.5	Very low	33.8	Very low	131 Å²	131	149.8 Å²	149.8	67%	0.672	80%	0.8	S	S	*	*	P	Polyproline II helix	trans	-68	132.2	172.2	-64.1	161.9	0	0	0	108.2	E246	I244-E246 HydrophobicContact CG2-CG 3.72Å
245	L	34	Very low	34.2	Very low	173 Å²	173	146.9 Å²	146.9	91%	0.906	79%	0.789	S	S	*	*			trans	-104.9	111.5	152.4	-76.1	169.6	0	0	0	105.9
246	E	35.6	Very low	34.9	Very low	174 Å²	174	141.9 Å²	141.9	81%	0.813	77%	0.772	S	S	*	*			trans	-76.3	127.4	165.5	-67	-169.7	158.4	0	0	108	I244	I244-E246 HydrophobicContact CG2-CG 3.72Å
247	D	29.9	Very low	35.3	Very low	164 Å²	164	138.2 Å²	138.2	88%	0.877	76%	0.762	S	S	*	*			trans	-137.5	121.3	147	-156.5	13	0	0	0	107.4
248	D	37.9	Very low	35.9	Very low	152 Å²	152	136.2 Å²	136.2	81%	0.813	76%	0.76	S	S	*	*			trans	-71.6	146.1	-176.6	-102.3	-35.5	0	0	0	110.1
249	R	37.7	Very low	36.3	Very low	242 Å²	242	140 Å²	140	91%	0.913	78%	0.775	S	S	*	*			trans	95.8	79.9	153.3	-144	-179.2	-160.2	178.9	4.7	118
250	S	35.3	Very low	36.5	Very low	105 Å²	105	138.4 Å²	138.4	73%	0.734	77%	0.77	S	S	*	*				-174.9	129.9	121.7	57	0	0	0	0	111.4	I252	S250-I252 PolarHBondContact O-N 2.87Å
251	D	41.6	Very low	36.8	Very low	166 Å²	166	136.4 Å²	136.4	89%	0.888	77%	0.766	S	S	*	*			trans	-60.6	114.9	-177.8	-59	-61.8	0	0	0	113.3
252	I	38.2	Very low	37.3	Very low	140 Å²	140	140.3 Å²	140.3	72%	0.718	77%	0.772	S	S	*	*			trans	-151.8	117.8	138.3	-84.5	140.7	0	0	0	105.6	S250 S254	S250-I252 PolarHBondContact O-N 2.87Å; I252-S254 PolarHBondContact O-N 2.8Å; I252-S254 VanDerWaalsContact O-N 3.1Å
253	S	36.1	Very low	38.2	Very low	101 Å²	101	140.8 Å²	140.8	71%	0.706	76%	0.761	S	S	*	*			trans	-52.1	110.7	-177	178.3	0	0	0	0	112.5	T255	S253-T255 VanDerWaalsContact C-N 3.29Å; S253-T255 PolarHBondContact O-N 2.74Å; S253-T255 VanDerWaalsContact O-N 3.15Å; S253-T255 PolarHBondContact OG-OG1 3.23Å
254	S	42.7	Very low	39.3	Very low	120 Å²	120	140.6 Å²	140.6	84%	0.839	77%	0.767	S	S	*	*			trans	-82.1	70.5	167.9	59.3	0	0	0	0	110.1	I252	I252-S254 PolarHBondContact O-N 2.8Å; I252-S254 VanDerWaalsContact O-N 3.1Å
255	T	42.9	Very low	41.4	Very low	107 Å²	107	142 Å²	142	66%	0.656	77%	0.771	S	S	*	*			trans	-152.2	80	174.9	9.1	0	0	0	0	112.1	S253	S253-T255 VanDerWaalsContact C-N 3.29Å; S253-T255 PolarHBondContact O-N 2.74Å; S253-T255 VanDerWaalsContact O-N 3.15Å; S253-T255 PolarHBondContact OG-OG1 3.23Å
256	C	43.5	Very low	44.1	Very low	82 Å²	82	138.2 Å²	138.2	55%	0.554	75%	0.751	S	S	*	*	S	Bend	trans	163.8	57.1	140.3	60.5	0	0	0	0	113.4	Q290	C256-Q290 PolarHBondContact SG-NE2 3.38Å
257	A	38.5	Very low	46.8	Very low	71 Å²	71	132.1 Å²	132.1	59%	0.587	72%	0.724	S	S	*	*			trans	-151.3	47.2	164.4	0	0	0	0	0	111.6
258	N	38	Very low	49.8	Very low	150 Å²	150	127 Å²	127	80%	0.802	70%	0.699	S	S	*	*	S	Bend	trans	-102	119.3	164.7	-80.3	-15.5	0	0	0	108.1
259	N	38.6	Very low	52.6	Low	153 Å²	153	120.8 Å²	120.8	82%	0.818	67%	0.666	S	S	*	*			trans	54.3	78.3	164.7	-67.8	-37.2	0	0	0	116.5
260	I	42.1	Very low	55.3	Low	127 Å²	127	113.5 Å²	113.5	65%	0.651	64%	0.642	S	S	*	*			trans	-101.3	92	151	-57.5	179.9	0	0	0	107.2	H262 N263	I260-H262 PolarHBondContact O-N 3.13Å; I260-N263 HydrophobicContact CG2-CB 3.87Å
261	N	37.9	Very low	58.3	Low	139 Å²	139	111.6 Å²	111.6	74%	0.743	62%	0.623	S	S	*	*			trans	-42.8	133.5	151.8	-80.2	-28.4	0	0	0	108.9	N263	N261-N263 PolarHBondContact O-N 3.06Å
262	H	40.3	Very low	60.8	Low	193 Å²	193	107.3 Å²	107.3	89%	0.894	60%	0.601	S	S	*	*			trans	-2	76.5	163.5	-66.9	-69.6	0	0	0	116.3	I260	I260-H262 PolarHBondContact O-N 3.13Å
263	N	44.6	Very low	63.7	Low	112 Å²	112	104.1 Å²	104.1	60%	0.599	59%	0.587	S	S	*	*			trans	-93.1	118.3	160.5	-78.5	-9.9	0	0	0	105.8	I260 N261 E265	I260-N263 HydrophobicContact CG2-CB 3.87Å; N261-N263 PolarHBondContact O-N 3.06Å; N263-E265 PolarHBondContact O-N 3.25Å
264	T	57.3	Low	66.6	Low	150 Å²	150	103.2 Å²	103.2	92%	0.92	57%	0.574	S	S	*	*			trans	-65.2	7.7	172.9	36.8	0	0	0	0	113.6
265	E	77.3	Confident	69	Low	162 Å²	162	100.5 Å²	100.5	76%	0.757	55%	0.553	S	S	*	*	S	Bend	trans	-99	129.1	-178.6	-67.6	-173.8	170	0	0	110.4	N263	N263-E265 PolarHBondContact O-N 3.25Å
266	L	90.6	Very high	71.2	Confident	92 Å²	92	96.8 Å²	96.8	48%	0.482	54%	0.536	S	S	.	.	P	Polyproline II helix	trans	-68.6	141.6	178.5	-61.5	173.6	0	0	0	110.7	E336 R338	L266-E336 HydrophobicContact CD2-CB 4.03Å; L266-E336 HydrophobicContact CD2-CG 4.17Å; L266-R338 HydrophobicContact CD1-CG 4.04Å; L266-R338 HydrophobicContact CD2-CG 4.04Å
267	L	92.2	Very high	73.4	Confident	47 Å²	47	100.3 Å²	100.3	25%	0.246	54%	0.542	C	S	.	.	P	Polyproline II helix	trans	-62.8	143.3	175.4	-68.6	179.2	0	0	0	111.3	I269 L288 T334 E336 R338	L267-I269 HydrophobicContact CB-CD1 3.92Å; L267-I269 HydrophobicContact CB-CG1 3.88Å; L267-I269 HydrophobicContact CD1-CD1 4.41Å; L267-I269 PolarHBondContact O-N 2.99Å; L267-L288 HydrophobicContact CB-CD1 3.81Å; L267-L288 HydrophobicContact CD1-CD1 4.2Å; L267-L288 HydrophobicContact CD2-CD1 4.4Å; L267-L288 HydrophobicContact CG-CD1 4.37Å; L267-T334 HydrophobicContact CD1-CG2 3.57Å; L267-T334 HydrophobicContact CG-CG2 4.41Å; L267-E336 VanDerWaalsContact CB-OE1 3.26Å; L267-E336 WeakPolarHBondContact CB-OE1 3.42Å; L267-E336 VanDerWaalsContact CG-OE1 3.27Å; L267-E336 WeakPolarHBondContact CG-OE1 3.32Å; L267-E336 PolarHBondContact N-OE1 2.9Å; L267-R338 PolarHBondContact O-NH2 2.7Å
268	P	93.3	Very high	75.4	Confident	56 Å²	56	98.9 Å²	98.9	36%	0.364	53%	0.534	S	S	.	.			trans	-76.7	74.5	180	33.9	-38.1	0	0	0	111.1	L288 K289	P268-L288 HydrophobicContact CG-CD1 4.4Å; P268-K289 HydrophobicContact CB-CB 4.24Å; P268-K289 HydrophobicContact CG-CB 4.21Å; P268-K289 WeakPolarHBondContact CG-O 3.28Å; P268-K289 PolarHBondContact O-N 3.4Å
269	I	95.4	Very high	77.5	Confident	21 Å²	21	100.6 Å²	100.6	11%	0.108	53%	0.529	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.7	130.6	-176.1	-63.1	175.5	0	0	0	110.7	L267 L271 A286 K287 L288 V301 W347 I349	L267-I269 HydrophobicContact CB-CD1 3.92Å; L267-I269 HydrophobicContact CB-CG1 3.88Å; L267-I269 HydrophobicContact CD1-CD1 4.41Å; L267-I269 PolarHBondContact O-N 2.99Å; I269-L271 HydrophobicContact CG2-CD2 4.43Å; I269-A286 HydrophobicContact CG2-CB 3.66Å; I269-K287 WeakPolarHBondContact CA-O 3.36Å; I269-L288 HydrophobicContact CG1-CD1 3.85Å; I269-V301 HydrophobicContact CG2-CG2 3.93Å; I269-W347 HydrophobicContact CB-CZ3 4.16Å; I269-W347 HydrophobicContact CD1-CZ3 4.47Å; I269-W347 HydrophobicContact CG2-CZ3 3.9Å; I269-I349 HydrophobicContact CD1-CD1 3.71Å; I269-I349 HydrophobicContact CD1-CG1 3.66Å; I269-I349 HydrophobicContact CD1-CG2 4.07Å
270	E	95.4	Very high	79.7	Confident	89 Å²	89	94.6 Å²	94.6	42%	0.416	50%	0.496	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.9	115.2	171.8	-173.8	-179.3	145.1	0	0	109.4	A286 K287 K289	E270-A286 CarbonylContact O-C 3.56Å; E270-A286 VanDerWaalsContact O-CA 3.3Å; E270-A286 WeakPolarHBondContact O-CA 3.24Å; E270-A286 WeakPolarHBondContact O-CB 3.38Å; E270-K287 HydrophobicContact CB-CB 4.48Å; E270-K287 PolarHBondContact N-O 2.94Å; E270-K287 PolarHBondContact O-N 3.45Å; E270-K289 WeakPolarHBondContact OE2-CE 3.41Å; E270-K289 IonicContact OE2-NZ 3.54Å; E270-K289 PolarHBondContact OE2-NZ 3.42Å
271	L	96.7	Very high	82.2	Confident	65 Å²	65	88.8 Å²	88.8	34%	0.34	47%	0.466	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-68.2	136.8	176.5	-59.3	179.9	0	0	0	109.9	I269 Y284 A286 V301 I303 W347	I269-L271 HydrophobicContact CG2-CD2 4.43Å; L271-Y284 HydrophobicContact CB-CD1 4.48Å; L271-Y284 HydrophobicContact CD2-CG 4.36Å; L271-A286 HydrophobicContact CD2-CB 4.01Å; L271-V301 HydrophobicContact CD2-CB 4.04Å; L271-V301 HydrophobicContact CD2-CG1 4.16Å; L271-V301 HydrophobicContact CD2-CG2 4.11Å; L271-I303 HydrophobicContact CD1-CD1 3.69Å; L271-I303 HydrophobicContact CD2-CD1 4.17Å; L271-W347 HydrophobicContact CD1-CH2 3.99Å; L271-W347 HydrophobicContact CD1-CZ2 4.07Å; L271-W347 HydrophobicContact CD2-CH2 3.77Å; L271-W347 HydrophobicContact CD2-CZ2 4.42Å; L271-W347 HydrophobicContact CD2-CZ3 4.12Å; L271-W347 HydrophobicContact CG-CH2 3.91Å; L271-W347 HydrophobicContact CG-CZ2 4.48Å
272	D	95.9	Very high	85	Confident	77 Å²	77	85 Å²	85	41%	0.412	44%	0.444	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.4	-79.4	-177.7	-178.5	1.3	0	0	0	110.3	K285	D272-K285 WeakPolarHBondContact CA-O 3.38Å; D272-K285 WeakPolarHBondContact CB-O 3.46Å; D272-K285 PolarHBondContact N-O 2.81Å; D272-K285 IonicContact OD2-NZ 3.86Å
273	T	97.3	Very high	87.7	Confident	72 Å²	72	77.6 Å²	77.6	44%	0.442	41%	0.413	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.4	136.1	-171.5	-51.9	0	0	0	0	110.6	V275 Y284 K285	T273-V275 PolarHBondContact O-N 2.99Å; T273-Y284 CarbonylContact O-C 3.46Å; T273-Y284 WeakPolarHBondContact O-CA 3.44Å; T273-K285 PolarHBondContact N-O 3.45Å; T273-K285 PolarHBondContact O-N 3.31Å
274	L	97	Very high	90.2	Very high	82 Å²	82	74.7 Å²	74.7	43%	0.429	39%	0.394	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-67.2	117.1	168.1	179.5	70.5	0	0	0	108.9	G276 E282 Y284	L274-G276 WeakPolarHBondContact CD1-O 3.37Å; L274-E282 HydrophobicContact CD1-CB 3.81Å; L274-E282 HydrophobicContact CD1-CG 4.32Å; L274-Y284 HydrophobicContact CB-CD1 4.15Å; L274-Y284 HydrophobicContact CB-CE1 3.79Å; L274-Y284 HydrophobicContact CD1-CD1 4.46Å; L274-Y284 HydrophobicContact CD1-CD2 4.14Å; L274-Y284 HydrophobicContact CD1-CE1 4.06Å; L274-Y284 HydrophobicContact CD1-CE2 3.69Å; L274-Y284 HydrophobicContact CD1-CG 4.5Å
275	V	93.8	Very high	92.2	Very high	64 Å²	64	70.7 Å²	70.7	39%	0.388	36%	0.363	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.5	-15.3	-177.4	-65	0	0	0	0	113.3	T273 V283 K285 F352	T273-V275 PolarHBondContact O-N 2.99Å; V275-V283 HydrophobicContact CG2-CB 4.17Å; V275-V283 HydrophobicContact CG2-CG1 3.76Å; V275-V283 VanDerWaalsContact CG2-O 3.25Å; V275-V283 WeakPolarHBondContact CG2-O 3.23Å; V275-V283 PolarHBondContact N-O 2.93Å; V275-K285 HydrophobicContact CG1-CB 3.79Å; V275-F352 HydrophobicContact CG1-CE2 4.27Å; V275-F352 HydrophobicContact CG2-CE2 4.46Å
276	G	89.8	Confident	93.1	Very high	29 Å²	29	63 Å²	63	30%	0.299	33%	0.328	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-165.4	153.4	177	0	0	0	0	0	112.5	L274 V283	L274-G276 WeakPolarHBondContact CD1-O 3.37Å; G276-V283 PolarHBondContact N-O 3.28Å; G276-V283 PolarHBondContact O-N 3.13Å
277	K	89.2	Confident	93.4	Very high	156 Å²	156	61.6 Å²	61.6	68%	0.678	32%	0.318	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-129.8	107.6	172.8	-177.3	164.9	-174.1	145	0	108.5	E282	K277-E282 HydrophobicContact CD-CG 4.38Å; K277-E282 HydrophobicContact CG-CG 4.2Å; K277-E282 IonicContact NZ-OE1 3.55Å; K277-E282 PolarHBondContact NZ-OE1 2.88Å
278	G	80.8	Confident	93.5	Very high	41 Å²	41	60.2 Å²	60.2	42%	0.423	31%	0.31	S	S	.	.			trans	-86.4	-173.2	176.4	0	0	0	0	0	111.8	F280 A281	G278-F280 VanDerWaalsContact C-N 3.33Å; G278-F280 PolarHBondContact O-N 3.44Å; G278-A281 PolarHBondContact N-O 2.88Å
279	R	81.1	Confident	93.4	Very high	186 Å²	186	62.5 Å²	62.5	70%	0.702	32%	0.315	S	S	*	.	S	Bend	trans	-63.4	-39.2	176	-179.4	177.1	170.6	-169.6	-1.9	112.6
280	F	86.3	Confident	92.8	Very high	26 Å²	26	65 Å²	65	11%	0.114	33%	0.326	C	S	.	.	S	Bend	trans	-112.8	-16.1	-169.2	-49.9	-64.9	0	0	0	113.9	G278 F304 P305 E308 L425	G278-F280 VanDerWaalsContact C-N 3.33Å; G278-F280 PolarHBondContact O-N 3.44Å; F280-F304 HydrophobicContact CB-CD1 4.1Å; F280-F304 HydrophobicContact CB-CE1 4Å; F280-P305 WeakPolarHBondContact O-CD 3.29Å; F280-E308 HydrophobicContact CB-CB 4.49Å; F280-E308 HydrophobicContact CB-CG 4.33Å; F280-E308 WeakPolarHBondContact CD1-OE2 3.45Å; F280-L425 HydrophobicContact CE2-CD2 4.22Å; F280-L425 HydrophobicContact CE2-CG 4.23Å; F280-L425 HydrophobicContact CZ-CD2 3.96Å; F280-L425 HydrophobicContact CZ-CG 4.43Å
281	A	93.7	Very high	91.4	Very high	5 Å²	5	68.5 Å²	68.5	4%	0.041	35%	0.347	C	S	.	.			trans	-153.5	157	-168.5	0	0	0	0	0	112.9	G278 K302 I303 F304	G278-A281 PolarHBondContact N-O 2.88Å; A281-K302 HydrophobicContact CB-CD 4.2Å; A281-K302 HydrophobicContact CB-CG 3.49Å; A281-K302 VanDerWaalsContact CB-CG 3.49Å; A281-I303 VanDerWaalsContact CA-O 3.29Å; A281-I303 WeakPolarHBondContact CA-O 3.42Å; A281-I303 VanDerWaalsContact CB-O 3.28Å; A281-I303 WeakPolarHBondContact CB-O 3.3Å; A281-F304 HydrophobicContact CB-CD1 3.7Å; A281-F304 HydrophobicContact CB-CD2 4.01Å; A281-F304 HydrophobicContact CB-CE1 3.68Å; A281-F304 HydrophobicContact CB-CE2 3.99Å; A281-F304 HydrophobicContact CB-CG 3.87Å; A281-F304 HydrophobicContact CB-CZ 3.83Å
282	E	96.4	Very high	89.9	Confident	59 Å²	59	71.6 Å²	71.6	28%	0.276	37%	0.369	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.7	138.8	168.4	-66.7	-173.9	167.9	0	0	109.7	L274 K277 Y284 K302 I303	L274-E282 HydrophobicContact CD1-CB 3.81Å; L274-E282 HydrophobicContact CD1-CG 4.32Å; K277-E282 HydrophobicContact CD-CG 4.38Å; K277-E282 HydrophobicContact CG-CG 4.2Å; K277-E282 IonicContact NZ-OE1 3.55Å; K277-E282 PolarHBondContact NZ-OE1 2.88Å; E282-Y284 HydrophobicContact CB-CD2 4.33Å; E282-Y284 HydrophobicContact CB-CE2 3.63Å; E282-Y284 PolarHBondContact OE2-OH 2.79Å; E282-K302 CarbonylContact O-C 3.53Å; E282-K302 WeakPolarHBondContact O-CA 3.45Å; E282-I303 PolarHBondContact N-O 3.3Å; E282-I303 VanDerWaalsContact N-O 3.07Å; E282-I303 PolarHBondContact O-N 3.43Å
283	V	97.1	Very high	88.4	Confident	38 Å²	38	71.2 Å²	71.2	23%	0.23	37%	0.373	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.3	122.6	-179.6	-174.4	0	0	0	0	109	V275 G276 A300 V301 K302	V275-V283 HydrophobicContact CG2-CB 4.17Å; V275-V283 HydrophobicContact CG2-CG1 3.76Å; V275-V283 VanDerWaalsContact CG2-O 3.25Å; V275-V283 WeakPolarHBondContact CG2-O 3.23Å; V275-V283 PolarHBondContact N-O 2.93Å; G276-V283 PolarHBondContact N-O 3.28Å; G276-V283 PolarHBondContact O-N 3.13Å; V283-A300 HydrophobicContact CG1-CB 4.47Å; V283-V301 CarbonylContact C-O 3.57Å; V283-V301 WeakPolarHBondContact CA-O 3.49Å; V283-K302 HydrophobicContact CG2-CB 4.26Å; V283-K302 HydrophobicContact CG2-CD 4.43Å; V283-K302 HydrophobicContact CG2-CG 3.95Å
284	Y	98.1	Very high	87.1	Confident	52 Å²	52	77.3 Å²	77.3	20%	0.204	40%	0.396	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.6	139.1	178.3	-70.7	-99.8	0	0	0	110.4	L271 T273 L274 E282 A300 V301 I303	L271-Y284 HydrophobicContact CB-CD1 4.48Å; L271-Y284 HydrophobicContact CD2-CG 4.36Å; T273-Y284 CarbonylContact O-C 3.46Å; T273-Y284 WeakPolarHBondContact O-CA 3.44Å; L274-Y284 HydrophobicContact CB-CD1 4.15Å; L274-Y284 HydrophobicContact CB-CE1 3.79Å; L274-Y284 HydrophobicContact CD1-CD1 4.46Å; L274-Y284 HydrophobicContact CD1-CD2 4.14Å; L274-Y284 HydrophobicContact CD1-CE1 4.06Å; L274-Y284 HydrophobicContact CD1-CE2 3.69Å; L274-Y284 HydrophobicContact CD1-CG 4.5Å; E282-Y284 HydrophobicContact CB-CD2 4.33Å; E282-Y284 HydrophobicContact CB-CE2 3.63Å; E282-Y284 PolarHBondContact OE2-OH 2.79Å; Y284-A300 CarbonylContact O-C 3.58Å; Y284-A300 WeakPolarHBondContact O-CA 3.28Å; Y284-V301 PolarHBondContact N-O 3.06Å; Y284-V301 PolarHBondContact O-N 3.07Å; Y284-I303 HydrophobicContact CD2-CD1 3.78Å; Y284-I303 HydrophobicContact CD2-CG1 4.33Å; Y284-I303 HydrophobicContact CE2-CD1 4.06Å
285	K	97.9	Very high	86.2	Confident	65 Å²	65	80 Å²	80	28%	0.283	41%	0.406	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-69.7	135.9	154.9	-178.8	-173.4	175.8	-163.1	0	107.5	D272 T273 V275 T298 F352	D272-K285 WeakPolarHBondContact CA-O 3.38Å; D272-K285 WeakPolarHBondContact CB-O 3.46Å; D272-K285 PolarHBondContact N-O 2.81Å; D272-K285 IonicContact OD2-NZ 3.86Å; T273-K285 PolarHBondContact N-O 3.45Å; T273-K285 PolarHBondContact O-N 3.31Å; V275-K285 HydrophobicContact CG1-CB 3.79Å; K285-T298 HydrophobicContact CD-CG2 4.29Å; K285-T298 HydrophobicContact CG-CG2 3.81Å; K285-F352 HydrophobicContact CB-CD2 4.29Å; K285-F352 HydrophobicContact CB-CE2 3.82Å; K285-F352 HydrophobicContact CB-CZ 4.2Å; K285-F352 HydrophobicContact CD-CE1 4.15Å; K285-F352 HydrophobicContact CD-CE2 4.35Å; K285-F352 HydrophobicContact CD-CZ 3.91Å; K285-F352 HydrophobicContact CG-CD2 4.19Å; K285-F352 HydrophobicContact CG-CE1 4.29Å; K285-F352 HydrophobicContact CG-CE2 3.91Å; K285-F352 HydrophobicContact CG-CZ 3.96Å
286	A	97.8	Very high	85.9	Confident	1 Å²	1	81.6 Å²	81.6	1%	0.008	41%	0.408	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-143.8	163.6	-179.1	0	0	0	0	0	111.8	I269 E270 L271 T298 V299 V301	I269-A286 HydrophobicContact CG2-CB 3.66Å; E270-A286 CarbonylContact O-C 3.56Å; E270-A286 VanDerWaalsContact O-CA 3.3Å; E270-A286 WeakPolarHBondContact O-CA 3.24Å; E270-A286 WeakPolarHBondContact O-CB 3.38Å; L271-A286 HydrophobicContact CD2-CB 4.01Å; A286-T298 WeakPolarHBondContact O-CA 3.43Å; A286-V299 HydrophobicContact CB-CG2 4.06Å; A286-V299 PolarHBondContact N-O 3.25Å; A286-V299 PolarHBondContact O-N 3.2Å; A286-V301 HydrophobicContact CB-CG2 3.54Å
287	K	96.4	Very high	86	Confident	62 Å²	62	83.5 Å²	83.5	27%	0.27	41%	0.409	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.6	120	176.1	-57.8	179.9	-176	163.7	0	109.2	I269 E270 F296	I269-K287 WeakPolarHBondContact CA-O 3.36Å; E270-K287 HydrophobicContact CB-CB 4.48Å; E270-K287 PolarHBondContact N-O 2.94Å; E270-K287 PolarHBondContact O-N 3.45Å; K287-F296 HydrophobicContact CB-CB 4.09Å; K287-F296 HydrophobicContact CB-CD2 3.71Å; K287-F296 HydrophobicContact CB-CE2 4.39Å; K287-F296 HydrophobicContact CB-CG 3.98Å; K287-F296 HydrophobicContact CD-CD1 4.22Å; K287-F296 HydrophobicContact CD-CD2 3.93Å; K287-F296 HydrophobicContact CD-CE1 4.2Å; K287-F296 HydrophobicContact CD-CE2 3.91Å; K287-F296 HydrophobicContact CD-CG 4.08Å; K287-F296 HydrophobicContact CD-CZ 4.06Å; K287-F296 HydrophobicContact CG-CD2 3.53Å; K287-F296 HydrophobicContact CG-CE2 3.7Å; K287-F296 HydrophobicContact CG-CG 4.07Å; K287-F296 HydrophobicContact CG-CZ 4.35Å
288	L	94.8	Very high	86.4	Confident	18 Å²	18	78.4 Å²	78.4	9%	0.094	39%	0.391	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.3	110.1	169.3	175.1	60.6	0	0	0	108.6	L267 P268 I269 F296 E297 V299 L333	L267-L288 HydrophobicContact CB-CD1 3.81Å; L267-L288 HydrophobicContact CD1-CD1 4.2Å; L267-L288 HydrophobicContact CD2-CD1 4.4Å; L267-L288 HydrophobicContact CG-CD1 4.37Å; P268-L288 HydrophobicContact CG-CD1 4.4Å; I269-L288 HydrophobicContact CG1-CD1 3.85Å; L288-F296 VanDerWaalsContact O-CA 3.32Å; L288-F296 WeakPolarHBondContact O-CA 3.32Å; L288-E297 HydrophobicContact CB-CB 4.36Å; L288-E297 PolarHBondContact N-O 3.15Å; L288-E297 PolarHBondContact O-N 3.44Å; L288-V299 HydrophobicContact CB-CG1 3.97Å; L288-V299 HydrophobicContact CB-CG2 4.17Å; L288-V299 HydrophobicContact CD2-CG1 4.23Å; L288-L333 HydrophobicContact CD2-CD2 4.38Å
289	K	89.9	Confident	87.2	Confident	105 Å²	105	76.4 Å²	76.4	46%	0.457	37%	0.371	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.8	137.2	-178.7	-64	-179.1	-179	174.6	0	110.5	P268 E270	P268-K289 HydrophobicContact CB-CB 4.24Å; P268-K289 HydrophobicContact CG-CB 4.21Å; P268-K289 WeakPolarHBondContact CG-O 3.28Å; P268-K289 PolarHBondContact O-N 3.4Å; E270-K289 WeakPolarHBondContact OE2-CE 3.41Å; E270-K289 IonicContact OE2-NZ 3.54Å; E270-K289 PolarHBondContact OE2-NZ 3.42Å
290	Q	82.6	Confident	88	Confident	74 Å²	74	68 Å²	68	35%	0.346	34%	0.341	S	S	.	.			trans	-93.3	141.3	171	-64.7	-171.5	-11.2	0	0	110.1	C256 T292	C256-Q290 PolarHBondContact SG-NE2 3.38Å; Q290-T292 PolarHBondContact O-N 3.15Å
291	N	68.1	Low	88.6	Confident	161 Å²	161	66.8 Å²	66.8	86%	0.861	34%	0.336	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.9	-10	-169.1	-80.4	-19.8	0	0	0	115.7
292	T	64.6	Low	88.8	Confident	130 Å²	130	67.9 Å²	67.9	80%	0.798	34%	0.34	S	S	*	.	T	Hydrogen-bonded Turn	trans	-135.8	8.5	-167.3	45.4	0	0	0	0	115.3	Q290	Q290-T292 PolarHBondContact O-N 3.15Å
293	S	63.1	Low	88.8	Confident	69 Å²	69	65.8 Å²	65.8	48%	0.483	33%	0.33	S	S	.	.	S	Bend	trans	-154.7	159.6	178.4	-71.4	0	0	0	0	112.7	Q295	S293-Q295 PolarHBondContact O-N 3.21Å; S293-Q295 VanDerWaalsContact O-N 3.09Å
294	E	70	Confident	88.8	Confident	200 Å²	200	64 Å²	64	94%	0.935	32%	0.319	S	S	*	.	S	Bend	trans	-66.6	0.2	168	-67.7	-166.8	163.8	0	0	113.2
295	Q	79.9	Confident	88.6	Confident	138 Å²	138	64.1 Å²	64.1	65%	0.645	33%	0.327	S	S	*	.			trans	-75.9	136.9	175.5	-65.3	-176.5	9.8	0	0	110.3	S293	S293-Q295 PolarHBondContact O-N 3.21Å; S293-Q295 VanDerWaalsContact O-N 3.09Å
296	F	86.9	Confident	88.4	Confident	98 Å²	98	67.9 Å²	67.9	43%	0.43	34%	0.34	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.1	148.2	174.8	63.5	-89.9	0	0	0	109.7	K287 L288	K287-F296 HydrophobicContact CB-CB 4.09Å; K287-F296 HydrophobicContact CB-CD2 3.71Å; K287-F296 HydrophobicContact CB-CE2 4.39Å; K287-F296 HydrophobicContact CB-CG 3.98Å; K287-F296 HydrophobicContact CD-CD1 4.22Å; K287-F296 HydrophobicContact CD-CD2 3.93Å; K287-F296 HydrophobicContact CD-CE1 4.2Å; K287-F296 HydrophobicContact CD-CE2 3.91Å; K287-F296 HydrophobicContact CD-CG 4.08Å; K287-F296 HydrophobicContact CD-CZ 4.06Å; K287-F296 HydrophobicContact CG-CD2 3.53Å; K287-F296 HydrophobicContact CG-CE2 3.7Å; K287-F296 HydrophobicContact CG-CG 4.07Å; K287-F296 HydrophobicContact CG-CZ 4.35Å; L288-F296 VanDerWaalsContact O-CA 3.32Å; L288-F296 WeakPolarHBondContact O-CA 3.32Å
297	E	92.6	Very high	88.2	Confident	69 Å²	69	74.9 Å²	74.9	32%	0.322	37%	0.373	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.3	137.1	168	-172.4	178.5	176	0	0	109	L288 V299	L288-E297 HydrophobicContact CB-CB 4.36Å; L288-E297 PolarHBondContact N-O 3.15Å; L288-E297 PolarHBondContact O-N 3.44Å; E297-V299 HydrophobicContact CG-CG1 4.31Å
298	T	96.3	Very high	88	Confident	49 Å²	49	74.6 Å²	74.6	30%	0.301	37%	0.372	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.4	121.8	174.6	-57	0	0	0	0	109.2	K285 A286 F352	K285-T298 HydrophobicContact CD-CG2 4.29Å; K285-T298 HydrophobicContact CG-CG2 3.81Å; A286-T298 WeakPolarHBondContact O-CA 3.43Å; T298-F352 HydrophobicContact CG2-CB 3.9Å; T298-F352 HydrophobicContact CG2-CD1 3.54Å; T298-F352 HydrophobicContact CG2-CE1 4.23Å; T298-F352 HydrophobicContact CG2-CG 3.77Å; T298-F352 WeakPolarHBondContact O-CB 3.42Å
299	V	97.7	Very high	88	Confident	0 Å²	0	78 Å²	78	0%	0	39%	0.385	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124	159.5	-178.1	-60.8	0	0	0	0	110.9	A286 L288 E297 V301 L333 I349	A286-V299 HydrophobicContact CB-CG2 4.06Å; A286-V299 PolarHBondContact N-O 3.25Å; A286-V299 PolarHBondContact O-N 3.2Å; L288-V299 HydrophobicContact CB-CG1 3.97Å; L288-V299 HydrophobicContact CB-CG2 4.17Å; L288-V299 HydrophobicContact CD2-CG1 4.23Å; E297-V299 HydrophobicContact CG-CG1 4.31Å; V299-V301 HydrophobicContact CG2-CG2 4.19Å; V299-L333 HydrophobicContact CG1-CD2 4.01Å; V299-I349 HydrophobicContact CB-CG2 4.18Å; V299-I349 HydrophobicContact CG2-CG2 4.17Å
300	A	98.1	Very high	88	Confident	9 Å²	9	76.1 Å²	76.1	7%	0.074	39%	0.389	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.1	130.4	169.8	0	0	0	0	0	109.3	V283 Y284 I349 T350 F352	V283-A300 HydrophobicContact CG1-CB 4.47Å; Y284-A300 CarbonylContact O-C 3.58Å; Y284-A300 WeakPolarHBondContact O-CA 3.28Å; A300-I349 WeakPolarHBondContact O-CA 3.19Å; A300-T350 PolarHBondContact N-O 2.83Å; A300-T350 PolarHBondContact O-N 2.94Å; A300-T350 PolarHBondContact O-OG1 2.78Å; A300-F352 HydrophobicContact CB-CB 4.46Å; A300-F352 HydrophobicContact CB-CD2 4.13Å
301	V	98.1	Very high	88.4	Confident	0 Å²	0	73.3 Å²	73.3	0%	0	38%	0.377	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.5	111.1	-180	-174.3	0	0	0	0	108.6	I269 L271 V283 Y284 A286 V299 I303 W347 L348 I349	I269-V301 HydrophobicContact CG2-CG2 3.93Å; L271-V301 HydrophobicContact CD2-CB 4.04Å; L271-V301 HydrophobicContact CD2-CG1 4.16Å; L271-V301 HydrophobicContact CD2-CG2 4.11Å; V283-V301 CarbonylContact C-O 3.57Å; V283-V301 WeakPolarHBondContact CA-O 3.49Å; Y284-V301 PolarHBondContact N-O 3.06Å; Y284-V301 PolarHBondContact O-N 3.07Å; A286-V301 HydrophobicContact CB-CG2 3.54Å; V299-V301 HydrophobicContact CG2-CG2 4.19Å; V301-I303 HydrophobicContact CG1-CD1 4.18Å; V301-I303 HydrophobicContact CG1-CG1 3.71Å; V301-W347 HydrophobicContact CG1-CB 4.31Å; V301-W347 HydrophobicContact CG1-CD2 3.6Å; V301-W347 HydrophobicContact CG1-CE3 3.33Å; V301-W347 HydrophobicContact CG1-CG 4.07Å; V301-W347 HydrophobicContact CG1-CH2 4.47Å; V301-W347 HydrophobicContact CG1-CZ3 3.8Å; V301-L348 WeakPolarHBondContact CA-O 3.43Å; V301-I349 HydrophobicContact CG1-CG1 4.48Å; V301-I349 HydrophobicContact CG2-CG1 4.4Å
302	K	97.6	Very high	89.7	Confident	28 Å²	28	65.7 Å²	65.7	12%	0.122	34%	0.337	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.1	115.6	173.3	-169.4	175.6	-173.9	-171.8	0	108.6	A281 E282 V283 F304 E315 W347 L348 D422	A281-K302 HydrophobicContact CB-CD 4.2Å; A281-K302 HydrophobicContact CB-CG 3.49Å; A281-K302 VanDerWaalsContact CB-CG 3.49Å; E282-K302 CarbonylContact O-C 3.53Å; E282-K302 WeakPolarHBondContact O-CA 3.45Å; V283-K302 HydrophobicContact CG2-CB 4.26Å; V283-K302 HydrophobicContact CG2-CD 4.43Å; V283-K302 HydrophobicContact CG2-CG 3.95Å; K302-F304 HydrophobicContact CB-CE2 4.14Å; K302-F304 HydrophobicContact CD-CE2 3.81Å; K302-F304 HydrophobicContact CD-CZ 3.6Å; K302-F304 HydrophobicContact CG-CD2 4.39Å; K302-F304 HydrophobicContact CG-CE2 3.56Å; K302-F304 HydrophobicContact CG-CZ 3.8Å; K302-E315 IonicContact NZ-OE1 3.99Å; K302-E315 PolarHBondContact NZ-OE1 3.27Å; K302-E315 IonicContact NZ-OE2 3.6Å; K302-E315 PolarHBondContact NZ-OE2 3.19Å; K302-W347 CarbonylContact O-C 3.42Å; K302-W347 WeakPolarHBondContact O-CA 3.2Å; K302-L348 HydrophobicContact CB-CB 4.33Å; K302-L348 PolarHBondContact N-O 2.83Å; K302-L348 PolarHBondContact O-N 3.3Å; K302-D422 IonicContact NZ-OD1 2.88Å; K302-D422 PolarHBondContact NZ-OD1 2.9Å
303	I	97.2	Very high	91.1	Very high	15 Å²	15	63.4 Å²	63.4	8%	0.077	32%	0.316	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.9	119.8	-172.5	-55.9	180	0	0	0	109.2	L271 A281 E282 Y284 V301 Q345 W347	L271-I303 HydrophobicContact CD1-CD1 3.69Å; L271-I303 HydrophobicContact CD2-CD1 4.17Å; A281-I303 VanDerWaalsContact CA-O 3.29Å; A281-I303 WeakPolarHBondContact CA-O 3.42Å; A281-I303 VanDerWaalsContact CB-O 3.28Å; A281-I303 WeakPolarHBondContact CB-O 3.3Å; E282-I303 PolarHBondContact N-O 3.3Å; E282-I303 VanDerWaalsContact N-O 3.07Å; E282-I303 PolarHBondContact O-N 3.43Å; Y284-I303 HydrophobicContact CD2-CD1 3.78Å; Y284-I303 HydrophobicContact CD2-CG1 4.33Å; Y284-I303 HydrophobicContact CE2-CD1 4.06Å; V301-I303 HydrophobicContact CG1-CD1 4.18Å; V301-I303 HydrophobicContact CG1-CG1 3.71Å; I303-Q345 HydrophobicContact CG2-CB 4.14Å; I303-Q345 HydrophobicContact CG2-CG 4.18Å; I303-W347 HydrophobicContact CD1-CD2 4.44Å; I303-W347 HydrophobicContact CD1-CH2 4.48Å; I303-W347 HydrophobicContact CD1-CZ2 3.74Å; I303-W347 HydrophobicContact CG1-CD2 4.22Å; I303-W347 HydrophobicContact CG1-CG 4.23Å; I303-W347 HydrophobicContact CG1-CZ2 4.39Å
304	F	96.4	Very high	92.4	Very high	0 Å²	0	62.7 Å²	62.7	0%	0	31%	0.308	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.2	135.7	176.9	-59.6	-106.4	0	0	0	109.6	F280 A281 K302 E308 W312 E315 Y346 L348	F280-F304 HydrophobicContact CB-CD1 4.1Å; F280-F304 HydrophobicContact CB-CE1 4Å; A281-F304 HydrophobicContact CB-CD1 3.7Å; A281-F304 HydrophobicContact CB-CD2 4.01Å; A281-F304 HydrophobicContact CB-CE1 3.68Å; A281-F304 HydrophobicContact CB-CE2 3.99Å; A281-F304 HydrophobicContact CB-CG 3.87Å; A281-F304 HydrophobicContact CB-CZ 3.83Å; K302-F304 HydrophobicContact CB-CE2 4.14Å; K302-F304 HydrophobicContact CD-CE2 3.81Å; K302-F304 HydrophobicContact CD-CZ 3.6Å; K302-F304 HydrophobicContact CG-CD2 4.39Å; K302-F304 HydrophobicContact CG-CE2 3.56Å; K302-F304 HydrophobicContact CG-CZ 3.8Å; F304-E308 HydrophobicContact CB-CB 4.25Å; F304-E308 HydrophobicContact CD1-CB 4.16Å; F304-W312 HydrophobicContact CB-CB 4.11Å; F304-W312 HydrophobicContact CD1-CB 4.04Å; F304-W312 HydrophobicContact CD2-CB 3.86Å; F304-W312 AromaticContact CD2-CD1 3.65Å; F304-W312 HydrophobicContact CD2-CG 4.16Å; F304-W312 HydrophobicContact CE1-CB 4.41Å; F304-W312 HydrophobicContact CE2-CB 4.26Å; F304-W312 AromaticContact CE2-CD1 3.94Å; F304-W312 HydrophobicContact CG-CB 3.75Å; F304-W312 HydrophobicContact CG-CG 4.47Å; F304-E315 VanDerWaalsContact CZ-OE1 3.25Å; F304-E315 WeakPolarHBondContact CZ-OE1 3.5Å; F304-Y346 WeakPolarHBondContact CD2-O 3.26Å; F304-Y346 PolarHBondContact N-O 3.43Å; F304-Y346 PolarHBondContact O-N 3.04Å; F304-L348 HydrophobicContact CE2-CD1 3.7Å; F304-L348 HydrophobicContact CE2-CG 3.98Å; F304-L348 HydrophobicContact CZ-CD1 4.02Å
305	P	95.1	Very high	93.6	Very high	56 Å²	56	53.2 Å²	53.2	36%	0.364	26%	0.264	S	S	.	.			trans	-70.1	171.2	168.7	36.3	-39	0	0	0	110.4	F280 E307 E308	F280-P305 WeakPolarHBondContact O-CD 3.29Å; P305-E307 VanDerWaalsContact C-N 3.26Å; P305-E307 WeakPolarHBondContact CB-OE2 3.42Å; P305-E307 PolarHBondContact O-N 3.35Å; P305-E308 HydrophobicContact CG-CB 4.06Å; P305-E308 HydrophobicContact CG-CG 3.81Å; P305-E308 PolarHBondContact O-N 3.49Å; P305-E308 VanDerWaalsContact O-N 3.16Å
306	Y	92.8	Very high	94.3	Very high	144 Å²	144	49.7 Å²	49.7	57%	0.565	25%	0.247	S	C	*	.	G	3₁₀ helix	trans	-61.9	-36.4	-174.4	172	-96.9	0	0	0	112.8	E308 Y309 Y346	Y306-E308 PolarHBondContact O-N 3.32Å; Y306-Y309 WeakPolarHBondContact O-CB 3.4Å; Y306-Y309 PolarHBondContact O-N 3.02Å; Y306-Y346 AromaticContact CD2-CE2 3.98Å; Y306-Y346 HydrophobicContact CD2-CE2 3.98Å
307	E	93.1	Very high	94.7	Very high	148 Å²	148	48.1 Å²	48.1	69%	0.692	24%	0.243	S	C	*	.	G	3₁₀ helix	trans	-63.3	-26.2	-179.4	-59	72.5	-156.2	0	0	112	P305	P305-E307 VanDerWaalsContact C-N 3.26Å; P305-E307 WeakPolarHBondContact CB-OE2 3.42Å; P305-E307 PolarHBondContact O-N 3.35Å
308	E	93.7	Very high	94.8	Very high	55 Å²	55	45 Å²	45	26%	0.257	23%	0.228	S	C	.	.	G	3₁₀ helix	trans	-98.8	21.5	-176.9	-65.3	-64.4	166.1	0	0	112.9	F280 F304 P305 Y306 A310 S311 W312	F280-E308 HydrophobicContact CB-CB 4.49Å; F280-E308 HydrophobicContact CB-CG 4.33Å; F280-E308 WeakPolarHBondContact CD1-OE2 3.45Å; F304-E308 HydrophobicContact CB-CB 4.25Å; F304-E308 HydrophobicContact CD1-CB 4.16Å; P305-E308 HydrophobicContact CG-CB 4.06Å; P305-E308 HydrophobicContact CG-CG 3.81Å; P305-E308 PolarHBondContact O-N 3.49Å; P305-E308 VanDerWaalsContact O-N 3.16Å; Y306-E308 PolarHBondContact O-N 3.32Å; E308-A310 VanDerWaalsContact C-N 3.25Å; E308-A310 PolarHBondContact O-N 3.07Å; E308-S311 WeakPolarHBondContact O-CB 3.25Å; E308-S311 PolarHBondContact O-N 2.95Å; E308-S311 PolarHBondContact OE2-OG 2.91Å; E308-W312 PolarHBondContact O-N 3.19Å; E308-W312 VanDerWaalsContact O-N 3.09Å
309	Y	93.3	Very high	94.8	Very high	89 Å²	89	43.5 Å²	43.5	35%	0.349	22%	0.217	S	C	.	.	H	α-helix	trans	-54	-39.5	177.2	176.2	-101.8	0	0	0	113.2	Y306 S311 W312 K313 Y346	Y306-Y309 WeakPolarHBondContact O-CB 3.4Å; Y306-Y309 PolarHBondContact O-N 3.02Å; Y309-S311 PolarHBondContact O-N 3.25Å; Y309-W312 AromaticContact CD2-CE3 3.82Å; Y309-W312 HydrophobicContact CD2-CE3 3.82Å; Y309-W312 HydrophobicContact CD2-CZ3 4.08Å; Y309-W312 AromaticContact CE2-CE3 3.65Å; Y309-W312 HydrophobicContact CE2-CE3 3.65Å; Y309-W312 AromaticContact CE2-CZ3 3.45Å; Y309-W312 HydrophobicContact CE2-CZ3 3.45Å; Y309-W312 VanDerWaalsContact CE2-CZ3 3.45Å; Y309-W312 PolarHBondContact O-N 2.84Å; Y309-K313 HydrophobicContact CE1-CB 4.31Å; Y309-K313 HydrophobicContact CE1-CD 3.87Å; Y309-K313 VanDerWaalsContact O-CB 3.26Å; Y309-K313 WeakPolarHBondContact O-CB 3.49Å; Y309-K313 PolarHBondContact O-N 3.05Å; Y309-Y346 AromaticContact CD2-CD1 3.75Å; Y309-Y346 HydrophobicContact CD2-CD1 3.75Å; Y309-Y346 HydrophobicContact CD2-CD2 4.15Å; Y309-Y346 AromaticContact CD2-CE1 3.3Å; Y309-Y346 HydrophobicContact CD2-CE1 3.3Å; Y309-Y346 AromaticContact CD2-CE2 3.74Å; Y309-Y346 HydrophobicContact CD2-CE2 3.74Å; Y309-Y346 HydrophobicContact CD2-CG 4.15Å; Y309-Y346 AromaticContact CD2-CZ 3.29Å; Y309-Y346 HydrophobicContact CE2-CD1 4.01Å; Y309-Y346 AromaticContact CE2-CE1 3.44Å; Y309-Y346 HydrophobicContact CE2-CE1 3.44Å; Y309-Y346 VanDerWaalsContact CE2-CE1 3.44Å; Y309-Y346 AromaticContact CE2-CZ 3.82Å; Y309-Y346 HydrophobicContact CG-CE2 4.42Å
310	A	90.8	Very high	94.6	Very high	67 Å²	67	46.9 Å²	46.9	55%	0.554	24%	0.241	S	C	*	.	H	α-helix	trans	-63.1	-42.1	-179.6	0	0	0	0	0	111.9	E308 K313 T314	E308-A310 VanDerWaalsContact C-N 3.25Å; E308-A310 PolarHBondContact O-N 3.07Å; A310-K313 PolarHBondContact O-N 3.44Å; A310-T314 WeakPolarHBondContact O-CB 3.41Å; A310-T314 PolarHBondContact O-N 3.21Å; A310-T314 PolarHBondContact O-OG1 2.95Å
311	S	90.4	Very high	94.3	Very high	14 Å²	14	47.5 Å²	47.5	10%	0.098	24%	0.243	C	C	.	.	H	α-helix	trans	-63.5	-48.5	175.9	-53	0	0	0	0	110.8	E308 Y309 K313 T314 E315	E308-S311 WeakPolarHBondContact O-CB 3.25Å; E308-S311 PolarHBondContact O-N 2.95Å; E308-S311 PolarHBondContact OE2-OG 2.91Å; Y309-S311 PolarHBondContact O-N 3.25Å; S311-K313 PolarHBondContact O-N 3.48Å; S311-T314 PolarHBondContact O-N 2.98Å; S311-E315 PolarHBondContact O-N 3.4Å; S311-E315 VanDerWaalsContact O-N 3.12Å
312	W	95.2	Very high	94	Very high	1 Å²	1	54.5 Å²	54.5	0%	0.004	28%	0.279	C	S	.	.	H	α-helix	trans	-58.7	-45.3	174.8	171.9	84.7	0	0	0	112.7	F304 E308 Y309 E315 K316 A335 E337 Y346 W347	F304-W312 HydrophobicContact CB-CB 4.11Å; F304-W312 HydrophobicContact CD1-CB 4.04Å; F304-W312 HydrophobicContact CD2-CB 3.86Å; F304-W312 AromaticContact CD2-CD1 3.65Å; F304-W312 HydrophobicContact CD2-CG 4.16Å; F304-W312 HydrophobicContact CE1-CB 4.41Å; F304-W312 HydrophobicContact CE2-CB 4.26Å; F304-W312 AromaticContact CE2-CD1 3.94Å; F304-W312 HydrophobicContact CG-CB 3.75Å; F304-W312 HydrophobicContact CG-CG 4.47Å; E308-W312 PolarHBondContact O-N 3.19Å; E308-W312 VanDerWaalsContact O-N 3.09Å; Y309-W312 AromaticContact CD2-CE3 3.82Å; Y309-W312 HydrophobicContact CD2-CE3 3.82Å; Y309-W312 HydrophobicContact CD2-CZ3 4.08Å; Y309-W312 AromaticContact CE2-CE3 3.65Å; Y309-W312 HydrophobicContact CE2-CE3 3.65Å; Y309-W312 AromaticContact CE2-CZ3 3.45Å; Y309-W312 HydrophobicContact CE2-CZ3 3.45Å; Y309-W312 VanDerWaalsContact CE2-CZ3 3.45Å; Y309-W312 PolarHBondContact O-N 2.84Å; W312-E315 PolarHBondContact O-N 3.46Å; W312-K316 HydrophobicContact CH2-CD 3.63Å; W312-K316 HydrophobicContact CZ2-CD 3.76Å; W312-K316 HydrophobicContact CZ3-CD 4.01Å; W312-K316 VanDerWaalsContact O-CB 3.27Å; W312-K316 WeakPolarHBondContact O-CB 3.4Å; W312-K316 PolarHBondContact O-N 3.47Å; W312-A335 HydrophobicContact CZ2-CB 3.85Å; W312-E337 HydrophobicContact CH2-CG 3.91Å; W312-E337 HydrophobicContact CZ2-CG 4.23Å; W312-Y346 AromaticContact CD2-CD1 3.97Å; W312-Y346 HydrophobicContact CD2-CD1 3.97Å; W312-Y346 HydrophobicContact CD2-CG 4.11Å; W312-Y346 AromaticContact CE3-CD1 3.8Å; W312-Y346 HydrophobicContact CE3-CD1 3.8Å; W312-Y346 HydrophobicContact CE3-CG 4.26Å; W312-Y346 VanDerWaalsContact CG-CB 3.5Å; W312-Y346 HydrophobicContact CG-CG 4.33Å; W312-Y346 AromaticContact CH2-CD1 3.93Å; W312-Y346 HydrophobicContact CH2-CD1 3.93Å; W312-Y346 HydrophobicContact CZ2-CD1 4.11Å; W312-Y346 AromaticContact CZ3-CD1 3.8Å; W312-Y346 HydrophobicContact CZ3-CD1 3.8Å; W312-Y346 HydrophobicContact CZ3-CE1 4.28Å; W312-W347 PolarHBondContact NE1-O 3.34Å
313	K	93.7	Very high	93.8	Very high	82 Å²	82	55.4 Å²	55.4	36%	0.357	29%	0.286	S	S	.	.	H	α-helix	trans	-64.1	-42.9	-178.6	177.5	168.6	170.7	41.9	0	111.2	Y309 A310 S311 K316 D317	Y309-K313 HydrophobicContact CE1-CB 4.31Å; Y309-K313 HydrophobicContact CE1-CD 3.87Å; Y309-K313 VanDerWaalsContact O-CB 3.26Å; Y309-K313 WeakPolarHBondContact O-CB 3.49Å; Y309-K313 PolarHBondContact O-N 3.05Å; A310-K313 PolarHBondContact O-N 3.44Å; S311-K313 PolarHBondContact O-N 3.48Å; K313-K316 PolarHBondContact O-N 3.11Å; K313-D317 IonicContact NZ-OD1 3.84Å; K313-D317 PolarHBondContact NZ-OD1 2.9Å; K313-D317 IonicContact NZ-OD2 3.54Å; K313-D317 PolarHBondContact NZ-OD2 2.94Å; K313-D317 WeakPolarHBondContact O-CB 3.43Å; K313-D317 PolarHBondContact O-N 3.1Å
314	T	91.3	Very high	93.6	Very high	54 Å²	54	54.9 Å²	54.9	33%	0.331	28%	0.283	S	S	.	.	H	α-helix	trans	-59.6	-50	176.9	-58.9	0	0	0	0	110.8	A310 S311 K316 D317 I318	A310-T314 WeakPolarHBondContact O-CB 3.41Å; A310-T314 PolarHBondContact O-N 3.21Å; A310-T314 PolarHBondContact O-OG1 2.95Å; S311-T314 PolarHBondContact O-N 2.98Å; T314-K316 PolarHBondContact O-N 3.41Å; T314-D317 PolarHBondContact O-N 2.93Å; T314-I318 HydrophobicContact CG2-CD1 4.25Å; T314-I318 WeakPolarHBondContact O-CG1 3.46Å; T314-I318 PolarHBondContact O-N 3.42Å; T314-I318 VanDerWaalsContact O-N 3.07Å
315	E	94.8	Very high	93.6	Very high	2 Å²	2	63.4 Å²	63.4	1%	0.009	32%	0.32	C	S	.	.	H	α-helix	trans	-62.4	-45.1	177.3	-73	-169.4	-118.4	0	0	112.2	K302 F304 S311 W312 D317 I318 F319 L348 F423 G424	K302-E315 IonicContact NZ-OE1 3.99Å; K302-E315 PolarHBondContact NZ-OE1 3.27Å; K302-E315 IonicContact NZ-OE2 3.6Å; K302-E315 PolarHBondContact NZ-OE2 3.19Å; F304-E315 VanDerWaalsContact CZ-OE1 3.25Å; F304-E315 WeakPolarHBondContact CZ-OE1 3.5Å; S311-E315 PolarHBondContact O-N 3.4Å; S311-E315 VanDerWaalsContact O-N 3.12Å; W312-E315 PolarHBondContact O-N 3.46Å; E315-D317 VanDerWaalsContact C-N 3.35Å; E315-D317 PolarHBondContact O-N 2.95Å; E315-I318 PolarHBondContact O-N 3.09Å; E315-F319 HydrophobicContact CB-CD2 4.31Å; E315-F319 HydrophobicContact CB-CE2 4.45Å; E315-F319 WeakPolarHBondContact O-CB 3.47Å; E315-F319 WeakPolarHBondContact O-CD2 3.36Å; E315-F319 PolarHBondContact O-N 2.87Å; E315-L348 HydrophobicContact CB-CD1 3.5Å; E315-L348 VanDerWaalsContact CB-CD1 3.5Å; E315-L348 HydrophobicContact CG-CD1 4.39Å; E315-F423 VanDerWaalsContact CG-C 3.45Å; E315-F423 HydrophobicContact CG-CB 4.19Å; E315-G424 VanDerWaalsContact CG-CA 3.48Å; E315-G424 VanDerWaalsContact CG-N 3.26Å
316	K	95.9	Very high	93.7	Very high	63 Å²	63	62.9 Å²	62.9	27%	0.274	31%	0.313	S	S	.	.	H	α-helix	trans	-56.5	-48.4	175.8	175.6	-177.3	172.2	176.6	0	111.5	W312 K313 T314 I318 F319 S320 A335 L348	W312-K316 HydrophobicContact CH2-CD 3.63Å; W312-K316 HydrophobicContact CZ2-CD 3.76Å; W312-K316 HydrophobicContact CZ3-CD 4.01Å; W312-K316 VanDerWaalsContact O-CB 3.27Å; W312-K316 WeakPolarHBondContact O-CB 3.4Å; W312-K316 PolarHBondContact O-N 3.47Å; K313-K316 PolarHBondContact O-N 3.11Å; T314-K316 PolarHBondContact O-N 3.41Å; K316-I318 VanDerWaalsContact C-N 3.3Å; K316-I318 PolarHBondContact O-N 2.84Å; K316-F319 PolarHBondContact O-N 3.29Å; K316-S320 VanDerWaalsContact O-CB 3.24Å; K316-S320 WeakPolarHBondContact O-CB 3.5Å; K316-S320 PolarHBondContact O-N 3.19Å; K316-S320 PolarHBondContact O-OG 3.31Å; K316-A335 HydrophobicContact CB-CB 4.36Å; K316-A335 HydrophobicContact CD-CB 3.73Å; K316-A335 HydrophobicContact CG-CB 3.79Å; K316-L348 HydrophobicContact CB-CD2 4.05Å
317	D	94.9	Very high	93.9	Very high	65 Å²	65	60.9 Å²	60.9	35%	0.348	31%	0.308	S	S	.	.	H	α-helix	trans	-66.3	-34.1	-176	-71.1	-13.1	0	0	0	111.2	K313 T314 E315	K313-D317 IonicContact NZ-OD1 3.84Å; K313-D317 PolarHBondContact NZ-OD1 2.9Å; K313-D317 IonicContact NZ-OD2 3.54Å; K313-D317 PolarHBondContact NZ-OD2 2.94Å; K313-D317 WeakPolarHBondContact O-CB 3.43Å; K313-D317 PolarHBondContact O-N 3.1Å; T314-D317 PolarHBondContact O-N 2.93Å; E315-D317 VanDerWaalsContact C-N 3.35Å; E315-D317 PolarHBondContact O-N 2.95Å
318	I	95.2	Very high	94.2	Very high	3 Å²	3	53.9 Å²	53.9	2%	0.015	28%	0.275	C	S	.	.	H	α-helix	trans	-69	-53	172.4	-72.3	173.3	0	0	0	110.8	T314 E315 K316 S320 D321 L324 I400 F423 S426 R428	T314-I318 HydrophobicContact CG2-CD1 4.25Å; T314-I318 WeakPolarHBondContact O-CG1 3.46Å; T314-I318 PolarHBondContact O-N 3.42Å; T314-I318 VanDerWaalsContact O-N 3.07Å; E315-I318 PolarHBondContact O-N 3.09Å; K316-I318 VanDerWaalsContact C-N 3.3Å; K316-I318 PolarHBondContact O-N 2.84Å; I318-S320 PolarHBondContact O-N 3.21Å; I318-D321 WeakPolarHBondContact O-CB 3.42Å; I318-D321 PolarHBondContact O-N 3.22Å; I318-D321 VanDerWaalsContact O-N 3.12Å; I318-L324 HydrophobicContact CG2-CD2 3.57Å; I318-L324 VanDerWaalsContact O-CD2 3.26Å; I318-L324 WeakPolarHBondContact O-CD2 3.27Å; I318-I400 HydrophobicContact CG2-CD1 4.25Å; I318-F423 HydrophobicContact CB-CB 4.43Å; I318-F423 HydrophobicContact CD1-CB 3.96Å; I318-F423 HydrophobicContact CG2-CB 4.06Å; I318-F423 HydrophobicContact CG2-CD1 4.22Å; I318-F423 HydrophobicContact CG2-CD2 4.37Å; I318-F423 HydrophobicContact CG2-CG 3.95Å; I318-S426 VanDerWaalsContact CD1-CB 3.49Å; I318-R428 HydrophobicContact CG1-CG 4.23Å
319	F	95.3	Very high	94.4	Very high	18 Å²	18	51.7 Å²	51.7	8%	0.079	27%	0.265	C	S	.	.	H	α-helix	trans	-62.4	-27.3	-179.1	-82.7	-57.2	0	0	0	114	E315 K316 D321 L324 L330 F332 F423	E315-F319 HydrophobicContact CB-CD2 4.31Å; E315-F319 HydrophobicContact CB-CE2 4.45Å; E315-F319 WeakPolarHBondContact O-CB 3.47Å; E315-F319 WeakPolarHBondContact O-CD2 3.36Å; E315-F319 PolarHBondContact O-N 2.87Å; K316-F319 PolarHBondContact O-N 3.29Å; F319-D321 VanDerWaalsContact C-N 3.26Å; F319-D321 PolarHBondContact O-N 3.45Å; F319-L324 HydrophobicContact CD1-CD2 4.35Å; F319-L330 HydrophobicContact CE1-CB 4.43Å; F319-F332 HydrophobicContact CB-CB 3.89Å; F319-F332 HydrophobicContact CB-CD1 3.8Å; F319-F332 HydrophobicContact CB-CD2 3.76Å; F319-F332 HydrophobicContact CB-CE1 4.18Å; F319-F332 HydrophobicContact CB-CE2 4.16Å; F319-F332 HydrophobicContact CB-CG 3.56Å; F319-F332 HydrophobicContact CB-CZ 4.35Å; F319-F332 HydrophobicContact CD1-CB 3.65Å; F319-F332 HydrophobicContact CD1-CD2 4.47Å; F319-F332 HydrophobicContact CD1-CG 4.22Å; F319-F332 HydrophobicContact CD2-CD2 4.18Å; F319-F332 HydrophobicContact CE1-CB 4.33Å; F319-F332 HydrophobicContact CG-CB 3.91Å; F319-F332 AromaticContact CG-CD2 3.92Å; F319-F332 HydrophobicContact CG-CD2 3.92Å; F319-F332 AromaticContact CG-CG 3.94Å; F319-F332 HydrophobicContact CG-CG 3.94Å; F319-F423 HydrophobicContact CD1-CD2 4.35Å; F319-F423 HydrophobicContact CD1-CE2 4.29Å; F319-F423 HydrophobicContact CD2-CD2 4.39Å; F319-F423 AromaticContact CE1-CD2 3.72Å; F319-F423 HydrophobicContact CE1-CD2 3.72Å; F319-F423 AromaticContact CE1-CE2 3.47Å; F319-F423 HydrophobicContact CE1-CE2 3.47Å; F319-F423 VanDerWaalsContact CE1-CE2 3.47Å; F319-F423 AromaticContact CE2-CD2 3.73Å; F319-F423 HydrophobicContact CE2-CD2 3.73Å; F319-F423 HydrophobicContact CE2-CE2 4.3Å; F319-F423 AromaticContact CZ-CD2 3.36Å; F319-F423 HydrophobicContact CZ-CD2 3.36Å; F319-F423 AromaticContact CZ-CE2 3.47Å; F319-F423 HydrophobicContact CZ-CE2 3.47Å; F319-F423 VanDerWaalsContact CZ-CE2 3.47Å
320	S	93.7	Very high	94.6	Very high	71 Å²	71	48.1 Å²	48.1	50%	0.497	25%	0.252	S	S	.	.	T	Hydrogen-bonded Turn	trans	-77	-8.5	179.1	-57.8	0	0	0	0	113.5	K316 I318 I322	K316-S320 VanDerWaalsContact O-CB 3.24Å; K316-S320 WeakPolarHBondContact O-CB 3.5Å; K316-S320 PolarHBondContact O-N 3.19Å; K316-S320 PolarHBondContact O-OG 3.31Å; I318-S320 PolarHBondContact O-N 3.21Å; S320-I322 PolarHBondContact O-N 3.07Å
321	D	92.7	Very high	94.9	Very high	23 Å²	23	50.2 Å²	50.2	12%	0.123	25%	0.251	C	S	.	.			trans	-71.1	114.6	174.1	-167	-27.1	0	0	0	110.1	I318 F319 N323 L324 R428	I318-D321 WeakPolarHBondContact O-CB 3.42Å; I318-D321 PolarHBondContact O-N 3.22Å; I318-D321 VanDerWaalsContact O-N 3.12Å; F319-D321 VanDerWaalsContact C-N 3.26Å; F319-D321 PolarHBondContact O-N 3.45Å; D321-N323 PolarHBondContact O-N 3.24Å; D321-N323 VanDerWaalsContact O-N 3.09Å; D321-N323 WeakPolarHBondContact OD1-CB 3.41Å; D321-N323 PolarHBondContact OD1-N 3.25Å; D321-N323 PolarHBondContact OD1-ND2 2.94Å; D321-L324 HydrophobicContact CB-CB 4.27Å; D321-L324 VanDerWaalsContact O-CB 3.27Å; D321-L324 WeakPolarHBondContact O-CB 3.37Å; D321-L324 PolarHBondContact O-N 3.17Å; D321-R428 IonicContact OD2-CZ 2.8Å; D321-R428 IonicContact OD2-NH2 2.76Å; D321-R428 PolarHBondContact OD2-NH2 2.87Å
322	I	90.4	Very high	95.2	Very high	147 Å²	147	51.9 Å²	51.9	75%	0.754	26%	0.256	S	S	*	.	G	3₁₀ helix	trans	-58.6	-25.7	-179.8	-165.4	164.5	0	0	0	112.8	S320 L324	S320-I322 PolarHBondContact O-N 3.07Å; I322-L324 VanDerWaalsContact C-N 3.29Å
323	N	93.3	Very high	95.1	Very high	47 Å²	47	53.9 Å²	53.9	25%	0.251	27%	0.267	S	S	.	.	G	3₁₀ helix	trans	-82.3	-7.4	179.6	-57	-56.7	0	0	0	112.8	D321 H385 T391 K397	D321-N323 PolarHBondContact O-N 3.24Å; D321-N323 VanDerWaalsContact O-N 3.09Å; D321-N323 WeakPolarHBondContact OD1-CB 3.41Å; D321-N323 PolarHBondContact OD1-N 3.25Å; D321-N323 PolarHBondContact OD1-ND2 2.94Å; N323-H385 PolarHBondContact O-CE1 3.18Å; N323-H385 PolarHBondContact O-NE2 3.4Å; N323-T391 HydrophobicContact CB-CG2 3.88Å; N323-T391 WeakPolarHBondContact OD1-CG2 3.42Å; N323-K397 HydrophobicContact CB-CB 4.27Å; N323-K397 HydrophobicContact CB-CD 4.24Å; N323-K397 HydrophobicContact CB-CG 3.86Å
324	L	94.5	Very high	95.2	Very high	4 Å²	4	52.3 Å²	52.3	2%	0.021	26%	0.264	C	S	.	.	G	3₁₀ helix	trans	-78.2	-24.5	177.6	-174.8	63.4	0	0	0	112.6	I318 F319 D321 I322 H326 I329 H385 L386 I400	I318-L324 HydrophobicContact CG2-CD2 3.57Å; I318-L324 VanDerWaalsContact O-CD2 3.26Å; I318-L324 WeakPolarHBondContact O-CD2 3.27Å; F319-L324 HydrophobicContact CD1-CD2 4.35Å; D321-L324 HydrophobicContact CB-CB 4.27Å; D321-L324 VanDerWaalsContact O-CB 3.27Å; D321-L324 WeakPolarHBondContact O-CB 3.37Å; D321-L324 PolarHBondContact O-N 3.17Å; I322-L324 VanDerWaalsContact C-N 3.29Å; L324-H326 PolarHBondContact O-N 3.39Å; L324-I329 HydrophobicContact CD1-CG2 4.39Å; L324-I329 HydrophobicContact CD2-CG2 4.35Å; L324-I329 HydrophobicContact CG-CG2 4.08Å; L324-H385 PolarHBondContact O-NE2 2.93Å; L324-L386 HydrophobicContact CD1-CD1 3.61Å; L324-I400 HydrophobicContact CD1-CD1 3.9Å
325	K	94.8	Very high	95.4	Very high	178 Å²	178	50.6 Å²	50.6	77%	0.774	26%	0.256	S	S	*	.			trans	-55.4	121.5	-176.1	-174.1	178.4	179.3	179.2	0	111.7
326	H	97.4	Very high	95.5	Very high	46 Å²	46	51.2 Å²	51.2	21%	0.213	26%	0.259	C	S	.	.			trans	-158.8	153.1	-179.5	-176.4	-98.3	0	0	0	110.4	L324 N328 I329 H385	L324-H326 PolarHBondContact O-N 3.39Å; H326-N328 PolarHBondContact CE1-OD1 3.28Å; H326-N328 VanDerWaalsContact CE1-OD1 3.27Å; H326-N328 PolarHBondContact ND1-N 3Å; H326-N328 VanDerWaalsContact ND1-N 3.11Å; H326-N328 PolarHBondContact O-N 3.25Å; H326-I329 HydrophobicContact CB-CB 4.33Å; H326-I329 HydrophobicContact CB-CG1 3.92Å; H326-I329 PolarHBondContact O-N 3.04Å; H326-I329 VanDerWaalsContact O-N 3.12Å; H326-I329 VanDerWaalsContact O-O 3.1Å; H326-H385 VanDerWaalsContact CB-CD2 3.42Å; H326-H385 WeakPolarHBondContact CB-CD2 3.41Å; H326-H385 AromaticContact CD2-CG 3.78Å; H326-H385 AromaticContact CD2-ND1 3.87Å; H326-H385 AromaticContact CG-CD2 3.81Å; H326-H385 AromaticContact CG-CG 3.73Å
327	E	97.6	Very high	95.4	Very high	101 Å²	101	52.2 Å²	52.2	47%	0.472	26%	0.264	S	S	.	.	T	Hydrogen-bonded Turn	trans	-64.3	-21.7	-176.8	55.3	159.5	-168	0	0	114.7	R381 K413	E327-R381 IonicContact OE1-CZ 2.73Å; E327-R381 IonicContact OE1-NE 2.96Å; E327-R381 PolarHBondContact OE1-NE 2.76Å; E327-R381 IonicContact OE1-NH2 2.84Å; E327-R381 PolarHBondContact OE1-NH2 3.46Å; E327-K413 PolarHBondContact O-NZ 3.3Å
328	N	98.6	Very high	95.3	Very high	1 Å²	1	50.9 Å²	50.9	1%	0.005	25%	0.254	C	S	.	.	T	Hydrogen-bonded Turn	trans	-107.6	18.5	178.3	-50.6	125.5	0	0	0	112.8	H326 S378 R381 C418 C419 L420	H326-N328 PolarHBondContact CE1-OD1 3.28Å; H326-N328 VanDerWaalsContact CE1-OD1 3.27Å; H326-N328 PolarHBondContact ND1-N 3Å; H326-N328 VanDerWaalsContact ND1-N 3.11Å; H326-N328 PolarHBondContact O-N 3.25Å; N328-S378 VanDerWaalsContact CB-O 3.29Å; N328-S378 WeakPolarHBondContact CB-O 3.25Å; N328-S378 VanDerWaalsContact CG-O 3.25Å; N328-S378 VanDerWaalsContact ND2-CB 3.26Å; N328-S378 WeakPolarHBondContact ND2-CB 3.38Å; N328-S378 PolarHBondContact OD1-O 3.2Å; N328-R381 PolarHBondContact OD1-NE 3.48Å; N328-C418 WeakPolarHBondContact CA-O 3.24Å; N328-C418 WeakPolarHBondContact CB-O 3.45Å; N328-C418 PolarHBondContact ND2-O 2.79Å; N328-C419 CarbonylContact O-C 3.57Å; N328-C419 VanDerWaalsContact O-CA 3.26Å; N328-C419 WeakPolarHBondContact O-CA 3.27Å; N328-L420 PolarHBondContact O-N 2.76Å
329	I	98.4	Very high	95.1	Very high	9 Å²	9	60.1 Å²	60.1	5%	0.046	29%	0.294	C	S	.	.	B	Isolated β-bridge	trans	-119.4	136.5	167	-59	-64	0	0	0	107.6	L324 H326 Q331 L386 L420 F423	L324-I329 HydrophobicContact CD1-CG2 4.39Å; L324-I329 HydrophobicContact CD2-CG2 4.35Å; L324-I329 HydrophobicContact CG-CG2 4.08Å; H326-I329 HydrophobicContact CB-CB 4.33Å; H326-I329 HydrophobicContact CB-CG1 3.92Å; H326-I329 PolarHBondContact O-N 3.04Å; H326-I329 VanDerWaalsContact O-N 3.12Å; H326-I329 VanDerWaalsContact O-O 3.1Å; I329-Q331 PolarHBondContact O-N 3.42Å; I329-L386 HydrophobicContact CD1-CD1 4.39Å; I329-L420 HydrophobicContact CD1-CB 3.96Å; I329-L420 HydrophobicContact CD1-CD1 3.81Å; I329-L420 HydrophobicContact CD1-CG 4.13Å; I329-F423 HydrophobicContact CD1-CZ 4.34Å; I329-F423 HydrophobicContact CG2-CE2 4.23Å; I329-F423 HydrophobicContact CG2-CZ 3.96Å
330	L	98.2	Very high	94.8	Very high	14 Å²	14	61.6 Å²	61.6	7%	0.073	31%	0.305	C	S	.	.			trans	-54.4	129.1	-178.6	177.7	59.7	0	0	0	111.3	F319 F332 T350 L411 L420 C421	F319-L330 HydrophobicContact CE1-CB 4.43Å; L330-F332 PolarHBondContact O-N 3.35Å; L330-F332 VanDerWaalsContact O-N 3.16Å; L330-T350 HydrophobicContact CD2-CG2 3.92Å; L330-T350 HydrophobicContact CG-CG2 4.23Å; L330-L411 HydrophobicContact CD1-CD1 3.91Å; L330-L411 HydrophobicContact CD2-CD1 4.07Å; L330-L420 VanDerWaalsContact CB-O 3.27Å; L330-L420 WeakPolarHBondContact CB-O 3.26Å; L330-L420 PolarHBondContact N-O 3.07Å; L330-C421 HydrophobicContact CB-CB 4.09Å; L330-C421 HydrophobicContact CD2-CB 3.63Å; L330-C421 HydrophobicContact CG-CB 4.49Å
331	Q	96.9	Very high	94.4	Very high	111 Å²	111	68 Å²	68	52%	0.519	33%	0.327	S	S	.	.			trans	-69.5	113.6	179.6	-178.1	178	2.9	0	0	110.6	I329 T350 A351	I329-Q331 PolarHBondContact O-N 3.42Å; Q331-T350 CarbonylContact O-C 3.59Å; Q331-T350 VanDerWaalsContact O-CA 3.29Å; Q331-T350 WeakPolarHBondContact O-CA 3.41Å; Q331-T350 WeakPolarHBondContact O-CB 3.47Å; Q331-A351 HydrophobicContact CB-CB 3.93Å; Q331-A351 PolarHBondContact O-N 3.11Å
332	F	96.3	Very high	94	Very high	50 Å²	50	75.3 Å²	75.3	22%	0.219	37%	0.365	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.9	134.8	172.9	176.8	-113.3	0	0	0	111.3	F319 L330 T334 A335 L348 T350	F319-F332 HydrophobicContact CB-CB 3.89Å; F319-F332 HydrophobicContact CB-CD1 3.8Å; F319-F332 HydrophobicContact CB-CD2 3.76Å; F319-F332 HydrophobicContact CB-CE1 4.18Å; F319-F332 HydrophobicContact CB-CE2 4.16Å; F319-F332 HydrophobicContact CB-CG 3.56Å; F319-F332 HydrophobicContact CB-CZ 4.35Å; F319-F332 HydrophobicContact CD1-CB 3.65Å; F319-F332 HydrophobicContact CD1-CD2 4.47Å; F319-F332 HydrophobicContact CD1-CG 4.22Å; F319-F332 HydrophobicContact CD2-CD2 4.18Å; F319-F332 HydrophobicContact CE1-CB 4.33Å; F319-F332 HydrophobicContact CG-CB 3.91Å; F319-F332 AromaticContact CG-CD2 3.92Å; F319-F332 HydrophobicContact CG-CD2 3.92Å; F319-F332 AromaticContact CG-CG 3.94Å; F319-F332 HydrophobicContact CG-CG 3.94Å; L330-F332 PolarHBondContact O-N 3.35Å; L330-F332 VanDerWaalsContact O-N 3.16Å; F332-T334 WeakPolarHBondContact CE2-O 3.19Å; F332-A335 HydrophobicContact CE2-CB 4.25Å; F332-A335 HydrophobicContact CZ-CB 3.89Å; F332-L348 HydrophobicContact CE2-CD2 3.96Å; F332-T350 HydrophobicContact CD2-CG2 4.3Å
333	L	93.9	Very high	93.9	Very high	43 Å²	43	70.1 Å²	70.1	23%	0.225	35%	0.348	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.8	-59.6	175.6	-76.3	71.3	0	0	0	109.9	L288 V299 I349 T350	L288-L333 HydrophobicContact CD2-CD2 4.38Å; V299-L333 HydrophobicContact CG1-CD2 4.01Å; L333-I349 HydrophobicContact CB-CG2 4.23Å; L333-I349 WeakPolarHBondContact CB-O 3.38Å; L333-I349 HydrophobicContact CD2-CG2 4.26Å; L333-I349 PolarHBondContact N-O 3.02Å; L333-T350 VanDerWaalsContact CD1-C 3.45Å
334	T	95.1	Very high	93.9	Very high	48 Å²	48	71.5 Å²	71.5	29%	0.294	35%	0.352	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-164.9	168.4	-179.2	-167.6	0	0	0	0	112.2	L267 F332 E336 I349	L267-T334 HydrophobicContact CD1-CG2 3.57Å; L267-T334 HydrophobicContact CG-CG2 4.41Å; F332-T334 WeakPolarHBondContact CE2-O 3.19Å; T334-E336 HydrophobicContact CG2-CG 4.2Å; T334-I349 HydrophobicContact CG2-CB 4.27Å; T334-I349 HydrophobicContact CG2-CD1 3.6Å; T334-I349 PolarHBondContact N-O 3.19Å; T334-I349 PolarHBondContact O-N 2.91Å
335	A	96.2	Very high	93.9	Very high	19 Å²	19	74.2 Å²	74.2	16%	0.157	36%	0.364	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.3	135.6	171.4	0	0	0	0	0	109.6	W312 K316 F332 W347 L348	W312-A335 HydrophobicContact CZ2-CB 3.85Å; K316-A335 HydrophobicContact CB-CB 4.36Å; K316-A335 HydrophobicContact CD-CB 3.73Å; K316-A335 HydrophobicContact CG-CB 3.79Å; F332-A335 HydrophobicContact CE2-CB 4.25Å; F332-A335 HydrophobicContact CZ-CB 3.89Å; A335-W347 CarbonylContact C-O 3.41Å; A335-W347 VanDerWaalsContact CA-O 3.28Å; A335-W347 WeakPolarHBondContact CA-O 3.43Å; A335-L348 HydrophobicContact CB-CD2 3.64Å
336	E	95.5	Very high	94	Very high	15 Å²	15	66.3 Å²	66.3	7%	0.07	33%	0.329	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129	152.6	-176	-68.2	-177.2	172.4	0	0	112	L266 L267 T334 R338 W347 I349	L266-E336 HydrophobicContact CD2-CB 4.03Å; L266-E336 HydrophobicContact CD2-CG 4.17Å; L267-E336 VanDerWaalsContact CB-OE1 3.26Å; L267-E336 WeakPolarHBondContact CB-OE1 3.42Å; L267-E336 VanDerWaalsContact CG-OE1 3.27Å; L267-E336 WeakPolarHBondContact CG-OE1 3.32Å; L267-E336 PolarHBondContact N-OE1 2.9Å; T334-E336 HydrophobicContact CG2-CG 4.2Å; E336-R338 HydrophobicContact CB-CG 4.47Å; E336-R338 IonicContact OE1-NH2 3.86Å; E336-R338 IonicContact OE2-CZ 2.86Å; E336-R338 IonicContact OE2-NE 2.7Å; E336-R338 PolarHBondContact OE2-NE 3.18Å; E336-R338 IonicContact OE2-NH2 3.79Å; E336-R338 PolarHBondContact OE2-NH2 2.88Å; E336-W347 HydrophobicContact CB-CB 4.28Å; E336-W347 PolarHBondContact N-O 3.3Å; E336-W347 PolarHBondContact O-N 3.49Å; E336-I349 HydrophobicContact CB-CD1 4.29Å; E336-I349 HydrophobicContact CG-CD1 3.75Å
337	E	94.9	Very high	94	Very high	84 Å²	84	64.7 Å²	64.7	39%	0.393	32%	0.321	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.8	115.7	171.1	-58.4	-171.6	176.4	0	0	108	W312 K344 Y346	W312-E337 HydrophobicContact CH2-CG 3.91Å; W312-E337 HydrophobicContact CZ2-CG 4.23Å; E337-K344 WeakPolarHBondContact OE2-CE 2.77Å; E337-K344 IonicContact OE2-NZ 3.39Å; E337-K344 PolarHBondContact OE2-NZ 3.36Å; E337-Y346 HydrophobicContact CB-CD1 4.47Å; E337-Y346 HydrophobicContact CG-CD1 3.81Å; E337-Y346 HydrophobicContact CG-CE1 3.89Å
338	R	93.4	Very high	94	Very high	36 Å²	36	60 Å²	60	14%	0.136	30%	0.3	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.9	129.7	-175.7	-64	-158.9	174.9	-152.6	-2.8	111.1	L266 L267 E336 Q345 W347	L266-R338 HydrophobicContact CD1-CG 4.04Å; L266-R338 HydrophobicContact CD2-CG 4.04Å; L267-R338 PolarHBondContact O-NH2 2.7Å; E336-R338 HydrophobicContact CB-CG 4.47Å; E336-R338 IonicContact OE1-NH2 3.86Å; E336-R338 IonicContact OE2-CZ 2.86Å; E336-R338 IonicContact OE2-NE 2.7Å; E336-R338 PolarHBondContact OE2-NE 3.18Å; E336-R338 IonicContact OE2-NH2 3.79Å; E336-R338 PolarHBondContact OE2-NH2 2.88Å; R338-Q345 PolarHBondContact N-O 3.42Å; R338-Q345 PolarHBondContact O-N 3.45Å; R338-W347 HydrophobicContact CG-CD2 4.23Å; R338-W347 HydrophobicContact CG-CG 4.41Å; R338-W347 VanDerWaalsContact CZ-CZ3 3.42Å
339	K	90.9	Very high	94	Very high	197 Å²	197	60 Å²	60	86%	0.857	30%	0.299	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-85.6	130.8	172.8	-165.5	173.9	-177.3	179.8	0	109.3
340	T	88.3	Confident	93.9	Very high	50 Å²	50	60 Å²	60	31%	0.307	30%	0.3	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.8	170.3	177	68.1	0	0	0	0	109.6	L342 G343 Q345	T340-L342 PolarHBondContact O-N 2.96Å; T340-G343 CarbonylContact C-O 3.6Å; T340-G343 WeakPolarHBondContact CA-O 3.49Å; T340-G343 PolarHBondContact N-O 3.48Å; T340-G343 PolarHBondContact O-N 3.24Å; T340-G343 VanDerWaalsContact O-O 3.07Å; T340-G343 PolarHBondContact OG1-N 3.29Å; T340-G343 PolarHBondContact OG1-O 3.14Å; T340-Q345 HydrophobicContact CG2-CB 4.45Å; T340-Q345 HydrophobicContact CG2-CG 3.87Å
341	E	85.8	Confident	93.9	Very high	205 Å²	205	60 Å²	60	96%	0.958	30%	0.302	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.3	-31.6	175.7	-62.5	-176.5	176.2	0	0	112.6
342	L	83.1	Confident	93.9	Very high	177 Å²	177	57.3 Å²	57.3	93%	0.927	29%	0.289	S	S	*	.	T	Hydrogen-bonded Turn	trans	-91.4	-6	-176.8	-62.7	173.3	0	0	0	113.7	T340	T340-L342 PolarHBondContact O-N 2.96Å
343	G	89	Confident	94	Very high	37 Å²	37	56.7 Å²	56.7	38%	0.381	29%	0.286	S	S	.	.	E	Extended strand (participates in β ladder)	trans	144.6	-149.2	-176.4	0	0	0	0	0	113.1	T340	T340-G343 CarbonylContact C-O 3.6Å; T340-G343 WeakPolarHBondContact CA-O 3.49Å; T340-G343 PolarHBondContact N-O 3.48Å; T340-G343 PolarHBondContact O-N 3.24Å; T340-G343 VanDerWaalsContact O-O 3.07Å; T340-G343 PolarHBondContact OG1-N 3.29Å; T340-G343 PolarHBondContact OG1-O 3.14Å
344	K	92.1	Very high	94.1	Very high	77 Å²	77	58.1 Å²	58.1	34%	0.335	30%	0.304	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-111	138.2	-178.8	-169.6	174	178.5	-176.3	0	110.2	E337 Y346	E337-K344 WeakPolarHBondContact OE2-CE 2.77Å; E337-K344 IonicContact OE2-NZ 3.39Å; E337-K344 PolarHBondContact OE2-NZ 3.36Å; K344-Y346 HydrophobicContact CD-CE1 4.22Å; K344-Y346 HydrophobicContact CD-CE2 4.4Å; K344-Y346 HydrophobicContact CG-CE2 4.32Å
345	Q	95.4	Very high	94.2	Very high	61 Å²	61	59.3 Å²	59.3	29%	0.285	31%	0.305	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.5	149.2	172.9	-69.6	-177.3	-15.5	0	0	109.9	I303 R338 T340 W347	I303-Q345 HydrophobicContact CG2-CB 4.14Å; I303-Q345 HydrophobicContact CG2-CG 4.18Å; R338-Q345 PolarHBondContact N-O 3.42Å; R338-Q345 PolarHBondContact O-N 3.45Å; T340-Q345 HydrophobicContact CG2-CB 4.45Å; T340-Q345 HydrophobicContact CG2-CG 3.87Å; Q345-W347 VanDerWaalsContact OE1-NE1 3.13Å
346	Y	96.9	Very high	94.3	Very high	11 Å²	11	59.4 Å²	59.4	4%	0.043	31%	0.309	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117	122	178.3	-61.6	-87.1	0	0	0	108.8	F304 Y306 Y309 W312 E337 K344	F304-Y346 WeakPolarHBondContact CD2-O 3.26Å; F304-Y346 PolarHBondContact N-O 3.43Å; F304-Y346 PolarHBondContact O-N 3.04Å; Y306-Y346 AromaticContact CD2-CE2 3.98Å; Y306-Y346 HydrophobicContact CD2-CE2 3.98Å; Y309-Y346 AromaticContact CD2-CD1 3.75Å; Y309-Y346 HydrophobicContact CD2-CD1 3.75Å; Y309-Y346 HydrophobicContact CD2-CD2 4.15Å; Y309-Y346 AromaticContact CD2-CE1 3.3Å; Y309-Y346 HydrophobicContact CD2-CE1 3.3Å; Y309-Y346 AromaticContact CD2-CE2 3.74Å; Y309-Y346 HydrophobicContact CD2-CE2 3.74Å; Y309-Y346 HydrophobicContact CD2-CG 4.15Å; Y309-Y346 AromaticContact CD2-CZ 3.29Å; Y309-Y346 HydrophobicContact CE2-CD1 4.01Å; Y309-Y346 AromaticContact CE2-CE1 3.44Å; Y309-Y346 HydrophobicContact CE2-CE1 3.44Å; Y309-Y346 VanDerWaalsContact CE2-CE1 3.44Å; Y309-Y346 AromaticContact CE2-CZ 3.82Å; Y309-Y346 HydrophobicContact CG-CE2 4.42Å; W312-Y346 AromaticContact CD2-CD1 3.97Å; W312-Y346 HydrophobicContact CD2-CD1 3.97Å; W312-Y346 HydrophobicContact CD2-CG 4.11Å; W312-Y346 AromaticContact CE3-CD1 3.8Å; W312-Y346 HydrophobicContact CE3-CD1 3.8Å; W312-Y346 HydrophobicContact CE3-CG 4.26Å; W312-Y346 VanDerWaalsContact CG-CB 3.5Å; W312-Y346 HydrophobicContact CG-CG 4.33Å; W312-Y346 AromaticContact CH2-CD1 3.93Å; W312-Y346 HydrophobicContact CH2-CD1 3.93Å; W312-Y346 HydrophobicContact CZ2-CD1 4.11Å; W312-Y346 AromaticContact CZ3-CD1 3.8Å; W312-Y346 HydrophobicContact CZ3-CD1 3.8Å; W312-Y346 HydrophobicContact CZ3-CE1 4.28Å; E337-Y346 HydrophobicContact CB-CD1 4.47Å; E337-Y346 HydrophobicContact CG-CD1 3.81Å; E337-Y346 HydrophobicContact CG-CE1 3.89Å; K344-Y346 HydrophobicContact CD-CE1 4.22Å; K344-Y346 HydrophobicContact CD-CE2 4.4Å; K344-Y346 HydrophobicContact CG-CE2 4.32Å
347	W	97.7	Very high	94.4	Very high	13 Å²	13	60 Å²	60	5%	0.049	31%	0.312	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.3	138.5	-171.9	-71.7	24.5	0	0	0	109.9	I269 L271 V301 K302 I303 W312 A335 E336 R338 Q345 I349	I269-W347 HydrophobicContact CB-CZ3 4.16Å; I269-W347 HydrophobicContact CD1-CZ3 4.47Å; I269-W347 HydrophobicContact CG2-CZ3 3.9Å; L271-W347 HydrophobicContact CD1-CH2 3.99Å; L271-W347 HydrophobicContact CD1-CZ2 4.07Å; L271-W347 HydrophobicContact CD2-CH2 3.77Å; L271-W347 HydrophobicContact CD2-CZ2 4.42Å; L271-W347 HydrophobicContact CD2-CZ3 4.12Å; L271-W347 HydrophobicContact CG-CH2 3.91Å; L271-W347 HydrophobicContact CG-CZ2 4.48Å; V301-W347 HydrophobicContact CG1-CB 4.31Å; V301-W347 HydrophobicContact CG1-CD2 3.6Å; V301-W347 HydrophobicContact CG1-CE3 3.33Å; V301-W347 HydrophobicContact CG1-CG 4.07Å; V301-W347 HydrophobicContact CG1-CH2 4.47Å; V301-W347 HydrophobicContact CG1-CZ3 3.8Å; K302-W347 CarbonylContact O-C 3.42Å; K302-W347 WeakPolarHBondContact O-CA 3.2Å; I303-W347 HydrophobicContact CD1-CD2 4.44Å; I303-W347 HydrophobicContact CD1-CH2 4.48Å; I303-W347 HydrophobicContact CD1-CZ2 3.74Å; I303-W347 HydrophobicContact CG1-CD2 4.22Å; I303-W347 HydrophobicContact CG1-CG 4.23Å; I303-W347 HydrophobicContact CG1-CZ2 4.39Å; W312-W347 PolarHBondContact NE1-O 3.34Å; A335-W347 CarbonylContact C-O 3.41Å; A335-W347 VanDerWaalsContact CA-O 3.28Å; A335-W347 WeakPolarHBondContact CA-O 3.43Å; E336-W347 HydrophobicContact CB-CB 4.28Å; E336-W347 PolarHBondContact N-O 3.3Å; E336-W347 PolarHBondContact O-N 3.49Å; R338-W347 HydrophobicContact CG-CD2 4.23Å; R338-W347 HydrophobicContact CG-CG 4.41Å; R338-W347 VanDerWaalsContact CZ-CZ3 3.42Å; Q345-W347 VanDerWaalsContact OE1-NE1 3.13Å; W347-I349 HydrophobicContact CB-CD1 4.5Å
348	L	97.6	Very high	94.6	Very high	2 Å²	2	56 Å²	56	1%	0.01	29%	0.293	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.9	126.5	161.7	-61.5	174.3	0	0	0	108.1	V301 K302 F304 E315 K316 F332 A335	V301-L348 WeakPolarHBondContact CA-O 3.43Å; K302-L348 HydrophobicContact CB-CB 4.33Å; K302-L348 PolarHBondContact N-O 2.83Å; K302-L348 PolarHBondContact O-N 3.3Å; F304-L348 HydrophobicContact CE2-CD1 3.7Å; F304-L348 HydrophobicContact CE2-CG 3.98Å; F304-L348 HydrophobicContact CZ-CD1 4.02Å; E315-L348 HydrophobicContact CB-CD1 3.5Å; E315-L348 VanDerWaalsContact CB-CD1 3.5Å; E315-L348 HydrophobicContact CG-CD1 4.39Å; K316-L348 HydrophobicContact CB-CD2 4.05Å; F332-L348 HydrophobicContact CE2-CD2 3.96Å; A335-L348 HydrophobicContact CB-CD2 3.64Å
349	I	97.8	Very high	94.8	Very high	0 Å²	0	57 Å²	57	0%	0	30%	0.3	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.2	124.2	-177.4	-59.5	130.3	0	0	0	108.1	I269 V299 A300 V301 L333 T334 E336 W347	I269-I349 HydrophobicContact CD1-CD1 3.71Å; I269-I349 HydrophobicContact CD1-CG1 3.66Å; I269-I349 HydrophobicContact CD1-CG2 4.07Å; V299-I349 HydrophobicContact CB-CG2 4.18Å; V299-I349 HydrophobicContact CG2-CG2 4.17Å; A300-I349 WeakPolarHBondContact O-CA 3.19Å; V301-I349 HydrophobicContact CG1-CG1 4.48Å; V301-I349 HydrophobicContact CG2-CG1 4.4Å; L333-I349 HydrophobicContact CB-CG2 4.23Å; L333-I349 WeakPolarHBondContact CB-O 3.38Å; L333-I349 HydrophobicContact CD2-CG2 4.26Å; L333-I349 PolarHBondContact N-O 3.02Å; T334-I349 HydrophobicContact CG2-CB 4.27Å; T334-I349 HydrophobicContact CG2-CD1 3.6Å; T334-I349 PolarHBondContact N-O 3.19Å; T334-I349 PolarHBondContact O-N 2.91Å; E336-I349 HydrophobicContact CB-CD1 4.29Å; E336-I349 HydrophobicContact CG-CD1 3.75Å; W347-I349 HydrophobicContact CB-CD1 4.5Å
350	T	97.7	Very high	95.2	Very high	11 Å²	11	50.9 Å²	50.9	7%	0.067	27%	0.274	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.8	165.8	-172	58.8	0	0	0	0	110.8	A300 L330 Q331 F332 L333	A300-T350 PolarHBondContact N-O 2.83Å; A300-T350 PolarHBondContact O-N 2.94Å; A300-T350 PolarHBondContact O-OG1 2.78Å; L330-T350 HydrophobicContact CD2-CG2 3.92Å; L330-T350 HydrophobicContact CG-CG2 4.23Å; Q331-T350 CarbonylContact O-C 3.59Å; Q331-T350 VanDerWaalsContact O-CA 3.29Å; Q331-T350 WeakPolarHBondContact O-CA 3.41Å; Q331-T350 WeakPolarHBondContact O-CB 3.47Å; F332-T350 HydrophobicContact CD2-CG2 4.3Å; L333-T350 VanDerWaalsContact CD1-C 3.45Å
351	A	97	Very high	95.7	Very high	14 Å²	14	49.5 Å²	49.5	12%	0.116	26%	0.264	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-60.2	142.1	172.7	0	0	0	0	0	110.8	Q331	Q331-A351 HydrophobicContact CB-CB 3.93Å; Q331-A351 PolarHBondContact O-N 3.11Å
352	F	97.8	Very high	96.3	Very high	54 Å²	54	39.7 Å²	39.7	24%	0.237	22%	0.218	C	C	.	.			trans	-91.5	129.7	175.9	-176.9	-103.9	0	0	0	111.4	V275 K285 T298 A300 A354	V275-F352 HydrophobicContact CG1-CE2 4.27Å; V275-F352 HydrophobicContact CG2-CE2 4.46Å; K285-F352 HydrophobicContact CB-CD2 4.29Å; K285-F352 HydrophobicContact CB-CE2 3.82Å; K285-F352 HydrophobicContact CB-CZ 4.2Å; K285-F352 HydrophobicContact CD-CE1 4.15Å; K285-F352 HydrophobicContact CD-CE2 4.35Å; K285-F352 HydrophobicContact CD-CZ 3.91Å; K285-F352 HydrophobicContact CG-CD2 4.19Å; K285-F352 HydrophobicContact CG-CE1 4.29Å; K285-F352 HydrophobicContact CG-CE2 3.91Å; K285-F352 HydrophobicContact CG-CZ 3.96Å; T298-F352 HydrophobicContact CG2-CB 3.9Å; T298-F352 HydrophobicContact CG2-CD1 3.54Å; T298-F352 HydrophobicContact CG2-CE1 4.23Å; T298-F352 HydrophobicContact CG2-CG 3.77Å; T298-F352 WeakPolarHBondContact O-CB 3.42Å; A300-F352 HydrophobicContact CB-CB 4.46Å; A300-F352 HydrophobicContact CB-CD2 4.13Å; F352-A354 HydrophobicContact CD1-CB 4.45Å; F352-A354 HydrophobicContact CE1-CB 3.91Å
353	H	97.6	Very high	97	Very high	36 Å²	36	35 Å²	35	17%	0.167	20%	0.196	C	C	.	.			trans	-111	108.7	173.9	-66.9	-47.5	0	0	0	110.6	K355 G356 L411 C419	H353-K355 VanDerWaalsContact C-N 3.28Å; H353-K355 PolarHBondContact O-N 3.04Å; H353-G356 PolarHBondContact O-N 3.4Å; H353-L411 HydrophobicContact CB-CB 4.37Å; H353-C419 PolarHBondContact CD2-SG 3.27Å; H353-C419 PolarHBondContact NE2-SG 2.94Å; H353-C419 VanDerWaalsContact NE2-SG 3.4Å
354	A	96.5	Very high	97.5	Very high	73 Å²	73	41.2 Å²	41.2	60%	0.603	21%	0.208	S	C	*	.	T	Hydrogen-bonded Turn	trans	-67.2	-22.9	-169.4	0	0	0	0	0	114.9	F352 G356	F352-A354 HydrophobicContact CD1-CB 4.45Å; F352-A354 HydrophobicContact CE1-CB 3.91Å; A354-G356 PolarHBondContact O-N 2.86Å
355	K	97.5	Very high	97.8	Very high	73 Å²	73	41.4 Å²	41.4	32%	0.317	21%	0.21	S	C	.	.	T	Hydrogen-bonded Turn	trans	-76.2	-9.2	175	-65.8	175	-176	-84.9	0	112.9	H353 Y361 V412 K413 N414 L416	H353-K355 VanDerWaalsContact C-N 3.28Å; H353-K355 PolarHBondContact O-N 3.04Å; K355-Y361 HydrophobicContact CB-CD2 4.11Å; K355-Y361 HydrophobicContact CB-CE2 4.37Å; K355-Y361 HydrophobicContact CD-CE2 4.07Å; K355-Y361 HydrophobicContact CG-CE2 4.37Å; K355-V412 HydrophobicContact CB-CB 4.02Å; K355-V412 HydrophobicContact CB-CG1 4.22Å; K355-V412 WeakPolarHBondContact CB-O 3.39Å; K355-V412 HydrophobicContact CD-CG1 3.81Å; K355-K413 WeakPolarHBondContact CD-O 3.39Å; K355-N414 WeakPolarHBondContact CE-O 3.4Å; K355-L416 HydrophobicContact CD-CD2 3.9Å
356	G	97.4	Very high	97.9	Very high	22 Å²	22	42 Å²	42	23%	0.227	22%	0.218	C	C	.	.			trans	74.1	-154.6	175.3	0	0	0	0	0	113.5	H353 A354 L411 V412	H353-G356 PolarHBondContact O-N 3.4Å; A354-G356 PolarHBondContact O-N 2.86Å; G356-L411 WeakPolarHBondContact O-CA 3.46Å; G356-V412 PolarHBondContact O-N 3.5Å
357	N	98.1	Very high	98	Very high	26 Å²	26	41.6 Å²	41.6	14%	0.139	22%	0.216	C	C	.	.	B	Isolated β-bridge	trans	-79.1	155.9	178.6	66.8	74.3	0	0	0	112.2	Q359 E360 Y361 S408 I410 L411	N357-Q359 VanDerWaalsContact C-N 3.34Å; N357-Q359 PolarHBondContact O-N 3.3Å; N357-Q359 WeakPolarHBondContact OD1-CB 3.21Å; N357-Q359 PolarHBondContact OD1-N 2.76Å; N357-E360 PolarHBondContact ND2-OE1 3.37Å; N357-E360 PolarHBondContact O-N 3.29Å; N357-E360 PolarHBondContact OD1-N 2.9Å; N357-Y361 WeakPolarHBondContact O-CB 3.46Å; N357-Y361 PolarHBondContact O-N 3.09Å; N357-S408 WeakPolarHBondContact CB-O 3.34Å; N357-I410 CarbonylContact C-O 3.58Å; N357-I410 VanDerWaalsContact CA-O 3.24Å; N357-I410 WeakPolarHBondContact CA-O 3.47Å; N357-L411 HydrophobicContact CB-CD2 4.37Å
358	L	98.8	Very high	98	Very high	0 Å²	0	42.6 Å²	42.6	0%	0	23%	0.226	C	C	.	.	H	α-helix	trans	-63.9	-37.2	-176.2	177.9	70	0	0	0	112	Y361 L362 L375 S407 I410 V412 V478 M482	L358-Y361 WeakPolarHBondContact O-CB 3.47Å; L358-Y361 PolarHBondContact O-N 3.45Å; L358-L362 HydrophobicContact CD1-CD1 3.97Å; L358-L362 HydrophobicContact CD1-CD2 4.24Å; L358-L362 HydrophobicContact CD1-CG 3.85Å; L358-L362 HydrophobicContact CD2-CD1 4.36Å; L358-L362 HydrophobicContact CG-CD1 3.82Å; L358-L362 HydrophobicContact CG-CG 4.09Å; L358-L362 WeakPolarHBondContact O-CB 3.39Å; L358-L362 VanDerWaalsContact O-CG 3.25Å; L358-L362 WeakPolarHBondContact O-CG 3.2Å; L358-L362 PolarHBondContact O-N 3.09Å; L358-L375 HydrophobicContact CD1-CD1 4.3Å; L358-L375 HydrophobicContact CD1-CD2 4.34Å; L358-S407 WeakPolarHBondContact CB-O 3.34Å; L358-S407 PolarHBondContact N-O 3.48Å; L358-I410 HydrophobicContact CB-CB 4.14Å; L358-I410 HydrophobicContact CB-CG2 4.19Å; L358-I410 HydrophobicContact CD2-CB 4.41Å; L358-I410 HydrophobicContact CD2-CD1 4.37Å; L358-I410 HydrophobicContact CD2-CG2 4.22Å; L358-I410 PolarHBondContact N-O 2.86Å; L358-V412 HydrophobicContact CB-CG2 4.1Å; L358-V412 HydrophobicContact CD1-CG2 3.86Å; L358-V478 HydrophobicContact CD2-CG1 3.54Å; L358-M482 HydrophobicContact CD1-CE 4.19Å; L358-M482 HydrophobicContact CD2-CE 3.3Å; L358-M482 HydrophobicContact CD2-CG 4.16Å; L358-M482 HydrophobicContact CG-CE 4.39Å
359	Q	98.4	Very high	98	Very high	58 Å²	58	44.1 Å²	44.1	27%	0.271	23%	0.231	S	C	.	.	H	α-helix	trans	-58.4	-52.3	177.4	173.8	164.4	65.1	0	0	111.9	N357 Y361 L362 T363 S407 Y495	N357-Q359 VanDerWaalsContact C-N 3.34Å; N357-Q359 PolarHBondContact O-N 3.3Å; N357-Q359 WeakPolarHBondContact OD1-CB 3.21Å; N357-Q359 PolarHBondContact OD1-N 2.76Å; Q359-Y361 VanDerWaalsContact C-N 3.3Å; Q359-Y361 PolarHBondContact O-N 3.16Å; Q359-L362 PolarHBondContact O-N 2.82Å; Q359-T363 WeakPolarHBondContact O-CB 3.26Å; Q359-T363 PolarHBondContact O-N 3.08Å; Q359-T363 PolarHBondContact O-OG1 3.28Å; Q359-S407 WeakPolarHBondContact CB-OG 3.48Å; Q359-S407 PolarHBondContact N-O 3.31Å; Q359-S407 VanDerWaalsContact N-O 3.07Å; Q359-Y495 HydrophobicContact CG-CE1 3.91Å; Q359-Y495 WeakPolarHBondContact CG-OH 2.94Å; Q359-Y495 PolarHBondContact NE2-OH 3.17Å
360	E	98	Very high	98	Very high	69 Å²	69	49 Å²	49	32%	0.322	25%	0.254	S	S	.	.	H	α-helix	trans	-64	-37.3	176.4	-76.3	-179	-137.2	0	0	112	N357 T363 R364	N357-E360 PolarHBondContact ND2-OE1 3.37Å; N357-E360 PolarHBondContact O-N 3.29Å; N357-E360 PolarHBondContact OD1-N 2.9Å; E360-T363 PolarHBondContact O-N 3.39Å; E360-R364 WeakPolarHBondContact O-CG 3.45Å; E360-R364 PolarHBondContact O-N 3.12Å; E360-R364 VanDerWaalsContact O-N 3.12Å; E360-R364 IonicContact OE2-CZ 3.58Å; E360-R364 IonicContact OE2-NH1 3.67Å; E360-R364 IonicContact OE2-NH2 3.34Å; E360-R364 PolarHBondContact OE2-NH2 3.46Å
361	Y	98.7	Very high	98	Very high	20 Å²	20	49.9 Å²	49.9	8%	0.078	26%	0.258	C	S	.	.	H	α-helix	trans	-61.2	-49.7	177	-171	-97.1	0	0	0	111.4	K355 N357 L358 Q359 T363 R364 H365 I367 V412 L416	K355-Y361 HydrophobicContact CB-CD2 4.11Å; K355-Y361 HydrophobicContact CB-CE2 4.37Å; K355-Y361 HydrophobicContact CD-CE2 4.07Å; K355-Y361 HydrophobicContact CG-CE2 4.37Å; N357-Y361 WeakPolarHBondContact O-CB 3.46Å; N357-Y361 PolarHBondContact O-N 3.09Å; L358-Y361 WeakPolarHBondContact O-CB 3.47Å; L358-Y361 PolarHBondContact O-N 3.45Å; Q359-Y361 VanDerWaalsContact C-N 3.3Å; Q359-Y361 PolarHBondContact O-N 3.16Å; Y361-T363 VanDerWaalsContact C-N 3.33Å; Y361-T363 PolarHBondContact O-N 2.93Å; Y361-R364 PolarHBondContact O-N 3.13Å; Y361-H365 AromaticContact CD2-CE1 3.89Å; Y361-H365 AromaticContact CD2-ND1 3.67Å; Y361-H365 HydrophobicContact CE1-CB 4.32Å; Y361-H365 AromaticContact CE2-CE1 3.75Å; Y361-H365 AromaticContact CE2-ND1 3.64Å; Y361-H365 WeakPolarHBondContact O-CB 3.47Å; Y361-H365 PolarHBondContact O-N 3.36Å; Y361-H365 PolarHBondContact O-ND1 3.49Å; Y361-I367 HydrophobicContact CE1-CG2 3.98Å; Y361-V412 HydrophobicContact CD1-CG1 4.48Å; Y361-V412 HydrophobicContact CD1-CG2 4.24Å; Y361-V412 HydrophobicContact CD2-CG1 4.38Å; Y361-V412 HydrophobicContact CG-CB 4.43Å; Y361-V412 HydrophobicContact CG-CG1 4.4Å; Y361-V412 HydrophobicContact CG-CG2 3.97Å; Y361-L416 HydrophobicContact CE1-CD2 4.27Å; Y361-L416 HydrophobicContact CE2-CD2 4.36Å; Y361-L416 VanDerWaalsContact OH-CD2 3.31Å; Y361-L416 WeakPolarHBondContact OH-CD2 3.27Å
362	L	98.8	Very high	98.1	Very high	0 Å²	0	49.2 Å²	49.2	0%	0	25%	0.253	C	S	.	.	H	α-helix	trans	-68.2	-29.7	178.7	-68.6	179.8	0	0	0	112.9	L358 Q359 R364 I367 E481 M482 R485 Y495	L358-L362 HydrophobicContact CD1-CD1 3.97Å; L358-L362 HydrophobicContact CD1-CD2 4.24Å; L358-L362 HydrophobicContact CD1-CG 3.85Å; L358-L362 HydrophobicContact CD2-CD1 4.36Å; L358-L362 HydrophobicContact CG-CD1 3.82Å; L358-L362 HydrophobicContact CG-CG 4.09Å; L358-L362 WeakPolarHBondContact O-CB 3.39Å; L358-L362 VanDerWaalsContact O-CG 3.25Å; L358-L362 WeakPolarHBondContact O-CG 3.2Å; L358-L362 PolarHBondContact O-N 3.09Å; Q359-L362 PolarHBondContact O-N 2.82Å; L362-R364 VanDerWaalsContact C-N 3.33Å; L362-I367 HydrophobicContact CD2-CD1 4.2Å; L362-I367 HydrophobicContact CD2-CG2 4.05Å; L362-E481 HydrophobicContact CD1-CB 4.02Å; L362-M482 HydrophobicContact CD1-CG 4.24Å; L362-R485 HydrophobicContact CB-CG 4.18Å; L362-R485 HydrophobicContact CD2-CB 4.07Å; L362-R485 HydrophobicContact CD2-CG 4.45Å; L362-R485 PolarHBondContact O-NE 3.14Å; L362-Y495 HydrophobicContact CB-CD2 3.87Å; L362-Y495 HydrophobicContact CB-CE2 4.17Å; L362-Y495 HydrophobicContact CD1-CE2 4.48Å
363	T	98.4	Very high	98.1	Very high	77 Å²	77	47.9 Å²	47.9	47%	0.472	25%	0.246	S	C	.	.	H	α-helix	trans	-63.9	-40.8	171.9	-57.2	0	0	0	0	111.3	Q359 E360 Y361 Y495	Q359-T363 WeakPolarHBondContact O-CB 3.26Å; Q359-T363 PolarHBondContact O-N 3.08Å; Q359-T363 PolarHBondContact O-OG1 3.28Å; E360-T363 PolarHBondContact O-N 3.39Å; Y361-T363 VanDerWaalsContact C-N 3.33Å; Y361-T363 PolarHBondContact O-N 2.93Å; T363-Y495 WeakPolarHBondContact OG1-CD1 3.23Å
364	R	98.3	Very high	98.2	Very high	169 Å²	169	49.1 Å²	49.1	64%	0.638	25%	0.251	S	S	*	.	H	α-helix	trans	-88.2	-20.8	-175	-66.8	175.5	-169.8	152.8	14.4	114	E360 Y361 L362	E360-R364 WeakPolarHBondContact O-CG 3.45Å; E360-R364 PolarHBondContact O-N 3.12Å; E360-R364 VanDerWaalsContact O-N 3.12Å; E360-R364 IonicContact OE2-CZ 3.58Å; E360-R364 IonicContact OE2-NH1 3.67Å; E360-R364 IonicContact OE2-NH2 3.34Å; E360-R364 PolarHBondContact OE2-NH2 3.46Å; Y361-R364 PolarHBondContact O-N 3.13Å; L362-R364 VanDerWaalsContact C-N 3.33Å
365	H	98.6	Very high	98.3	Very high	81 Å²	81	45.7 Å²	45.7	38%	0.375	22%	0.223	S	C	.	.			trans	-129.2	145.5	-170.3	-54	85.2	0	0	0	111.9	Y361 R485	Y361-H365 AromaticContact CD2-CE1 3.89Å; Y361-H365 AromaticContact CD2-ND1 3.67Å; Y361-H365 HydrophobicContact CE1-CB 4.32Å; Y361-H365 AromaticContact CE2-CE1 3.75Å; Y361-H365 AromaticContact CE2-ND1 3.64Å; Y361-H365 WeakPolarHBondContact O-CB 3.47Å; Y361-H365 PolarHBondContact O-N 3.36Å; Y361-H365 PolarHBondContact O-ND1 3.49Å; H365-R485 VanDerWaalsContact C-NH2 3.26Å; H365-R485 PolarHBondContact O-NE 3.36Å; H365-R485 PolarHBondContact O-NH2 3.09Å
366	V	98.6	Very high	98.3	Very high	74 Å²	74	42.2 Å²	42.2	45%	0.448	21%	0.207	S	C	.	.	P	Polyproline II helix	trans	-92.9	132	157.9	177.3	0	0	0	0	106	R485 N487 V492	V366-R485 CarbonylContact C-O 3.55Å; V366-R485 WeakPolarHBondContact CA-O 3.3Å; V366-R485 WeakPolarHBondContact CG1-O 3.47Å; V366-R485 VanDerWaalsContact CG2-NH2 3.27Å; V366-N487 HydrophobicContact CG1-CB 3.82Å; V366-V492 HydrophobicContact CG1-CB 4.39Å; V366-V492 HydrophobicContact CG1-CG1 4.28Å; V366-V492 HydrophobicContact CG1-CG2 3.99Å; V366-V492 HydrophobicContact CG2-CG1 4.26Å
367	I	98.7	Very high	98.4	Very high	1 Å²	1	41.5 Å²	41.5	1%	0.005	20%	0.199	C	C	.	.	B	Isolated β-bridge	trans	-100.3	153.5	-176.3	67.1	171.7	0	0	0	111.1	Y361 L362 D371 L372 L375 M482 R485 C486 N487	Y361-I367 HydrophobicContact CE1-CG2 3.98Å; L362-I367 HydrophobicContact CD2-CD1 4.2Å; L362-I367 HydrophobicContact CD2-CG2 4.05Å; I367-D371 HydrophobicContact CB-CB 3.91Å; I367-L372 HydrophobicContact CD1-CB 3.97Å; I367-L372 HydrophobicContact CD1-CD1 4.34Å; I367-L375 HydrophobicContact CD1-CD1 4.01Å; I367-M482 HydrophobicContact CD1-CB 4.33Å; I367-M482 WeakPolarHBondContact CD1-O 3.22Å; I367-R485 WeakPolarHBondContact CG1-O 3.17Å; I367-R485 PolarHBondContact N-O 2.98Å; I367-C486 HydrophobicContact CG1-CB 4.16Å; I367-C486 CarbonylContact O-C 3.6Å; I367-C486 VanDerWaalsContact O-CA 3.3Å; I367-C486 WeakPolarHBondContact O-CA 3.03Å; I367-N487 PolarHBondContact O-N 2.05Å
368	S	98.5	Very high	98.4	Very high	35 Å²	35	40.3 Å²	40.3	25%	0.245	19%	0.193	C	C	.	.	P	Polyproline II helix	trans	-80.6	171.8	172.9	70.8	0	0	0	0	111.9	E370 D371 L372 C486	S368-E370 VanDerWaalsContact C-N 3.29Å; S368-E370 PolarHBondContact O-N 3.38Å; S368-E370 PolarHBondContact OG-N 3.33Å; S368-D371 WeakPolarHBondContact CB-OD2 3.42Å; S368-D371 PolarHBondContact N-OD2 2.71Å; S368-D371 PolarHBondContact O-N 3.09Å; S368-D371 PolarHBondContact OG-N 3.15Å; S368-D371 PolarHBondContact OG-OD2 3.44Å; S368-L372 PolarHBondContact O-N 3.03Å; S368-C486 VanDerWaalsContact C-SG 3.59Å; S368-C486 PolarHBondContact O-SG 2.99Å
369	W	97.6	Very high	98.4	Very high	33 Å²	33	40.3 Å²	40.3	13%	0.125	19%	0.193	C	C	.	.	H	α-helix	trans	-58	-41.3	168.9	171.6	-116.3	0	0	0	112.4	D371 L372 R373 A488 H532 G534 I535 V538 L566 D570	W369-D371 VanDerWaalsContact C-N 3.34Å; W369-D371 PolarHBondContact O-N 2.93Å; W369-L372 HydrophobicContact CE3-CD2 3.97Å; W369-L372 HydrophobicContact CZ3-CD2 3.86Å; W369-L372 PolarHBondContact O-N 3.11Å; W369-R373 PolarHBondContact O-N 2.92Å; W369-A488 HydrophobicContact CB-CB 4.08Å; W369-H532 AromaticContact CD2-CE1 3.73Å; W369-H532 AromaticContact CE2-CE1 3.96Å; W369-H532 AromaticContact CE3-CE1 3.96Å; W369-G534 WeakPolarHBondContact CH2-O 3.45Å; W369-G534 WeakPolarHBondContact CZ3-O 3.32Å; W369-I535 HydrophobicContact CE3-CD1 3.85Å; W369-I535 HydrophobicContact CE3-CG1 4.24Å; W369-I535 HydrophobicContact CZ3-CD1 3.86Å; W369-I535 HydrophobicContact CZ3-CG1 4.23Å; W369-V538 HydrophobicContact CH2-CG2 4.1Å; W369-V538 HydrophobicContact CZ3-CG2 4.14Å; W369-L566 HydrophobicContact CH2-CD1 4.01Å; W369-L566 HydrophobicContact CH2-CD2 4.14Å; W369-L566 HydrophobicContact CZ2-CD1 4.39Å; W369-L566 HydrophobicContact CZ2-CD2 4.05Å; W369-D570 PolarHBondContact NE1-OD2 3.22Å
370	E	97.2	Very high	98.4	Very high	103 Å²	103	37.6 Å²	37.6	48%	0.481	18%	0.18	S	C	.	.	H	α-helix	trans	-63.9	-42	178.7	-171.1	-174	156.4	0	0	111.5	S368 R373 K374	S368-E370 VanDerWaalsContact C-N 3.29Å; S368-E370 PolarHBondContact O-N 3.38Å; S368-E370 PolarHBondContact OG-N 3.33Å; E370-R373 PolarHBondContact O-N 3.15Å; E370-K374 HydrophobicContact CG-CD 4.44Å; E370-K374 WeakPolarHBondContact O-CG 3.48Å; E370-K374 PolarHBondContact O-N 3.18Å; E370-K374 WeakPolarHBondContact OE1-CE 3.35Å; E370-K374 IonicContact OE1-NZ 3.44Å; E370-K374 PolarHBondContact OE1-NZ 2.96Å
371	D	98.4	Very high	98.5	Very high	30 Å²	30	38 Å²	38	16%	0.16	18%	0.179	C	C	.	.	H	α-helix	trans	-65.7	-43.4	177.9	-57.6	-34.9	0	0	0	111.1	I367 S368 W369 R373 K374 L375 L416	I367-D371 HydrophobicContact CB-CB 3.91Å; S368-D371 WeakPolarHBondContact CB-OD2 3.42Å; S368-D371 PolarHBondContact N-OD2 2.71Å; S368-D371 PolarHBondContact O-N 3.09Å; S368-D371 PolarHBondContact OG-N 3.15Å; S368-D371 PolarHBondContact OG-OD2 3.44Å; W369-D371 VanDerWaalsContact C-N 3.34Å; W369-D371 PolarHBondContact O-N 2.93Å; D371-R373 VanDerWaalsContact C-N 3.27Å; D371-R373 PolarHBondContact O-N 3.32Å; D371-K374 PolarHBondContact O-N 2.83Å; D371-L375 WeakPolarHBondContact O-CB 3.26Å; D371-L375 VanDerWaalsContact O-CG 3.24Å; D371-L375 WeakPolarHBondContact O-CG 3.33Å; D371-L375 PolarHBondContact O-N 3.12Å; D371-L416 HydrophobicContact CB-CD1 4.38Å; D371-L416 WeakPolarHBondContact OD1-CD1 3.3Å
372	L	98.7	Very high	98.5	Very high	0 Å²	0	37.1 Å²	37.1	0%	0	18%	0.175	C	C	.	.	H	α-helix	trans	-56.5	-43.7	174.3	174	62.2	0	0	0	110.9	I367 S368 W369 G376 M482 C486 I535	I367-L372 HydrophobicContact CD1-CB 3.97Å; I367-L372 HydrophobicContact CD1-CD1 4.34Å; S368-L372 PolarHBondContact O-N 3.03Å; W369-L372 HydrophobicContact CE3-CD2 3.97Å; W369-L372 HydrophobicContact CZ3-CD2 3.86Å; W369-L372 PolarHBondContact O-N 3.11Å; L372-G376 PolarHBondContact O-N 3.25Å; L372-M482 HydrophobicContact CD1-CB 3.48Å; L372-M482 VanDerWaalsContact CD1-CB 3.48Å; L372-C486 HydrophobicContact CB-CB 4.48Å; L372-C486 HydrophobicContact CD2-CB 3.98Å; L372-I535 HydrophobicContact CD2-CD1 3.49Å; L372-I535 VanDerWaalsContact CD2-CD1 3.49Å
373	R	97.8	Very high	98.5	Very high	25 Å²	25	37.1 Å²	37.1	9%	0.094	18%	0.175	C	C	.	.	H	α-helix	trans	-66	-42.2	178.9	-161.1	-175.8	61.8	72.6	-8.1	111.7	W369 E370 D371 S377 F563 E567	W369-R373 PolarHBondContact O-N 2.92Å; E370-R373 PolarHBondContact O-N 3.15Å; D371-R373 VanDerWaalsContact C-N 3.27Å; D371-R373 PolarHBondContact O-N 3.32Å; R373-S377 WeakPolarHBondContact O-CB 3.39Å; R373-S377 PolarHBondContact O-N 3.14Å; R373-S377 PolarHBondContact O-OG 3.12Å; R373-F563 HydrophobicContact CG-CD1 4.41Å; R373-E567 VanDerWaalsContact CZ-CG 3.49Å; R373-E567 IonicContact CZ-OE1 3.16Å; R373-E567 IonicContact CZ-OE2 2.68Å; R373-E567 VanDerWaalsContact NH1-CG 3.31Å; R373-E567 IonicContact NH1-OE1 3.84Å; R373-E567 PolarHBondContact NH1-OE1 2.92Å; R373-E567 IonicContact NH1-OE2 2.92Å; R373-E567 PolarHBondContact NH1-OE2 3.49Å; R373-E567 IonicContact NH2-OE1 2.67Å; R373-E567 PolarHBondContact NH2-OE1 3.26Å; R373-E567 IonicContact NH2-OE2 3.59Å
374	K	98.3	Very high	98.5	Very high	63 Å²	63	34 Å²	34	27%	0.274	16%	0.157	S	C	.	.	H	α-helix	trans	-64.1	-49.8	176.7	-77.1	171.3	169.5	165.1	0	111.5	E370 D371 S377 S378 L416	E370-K374 HydrophobicContact CG-CD 4.44Å; E370-K374 WeakPolarHBondContact O-CG 3.48Å; E370-K374 PolarHBondContact O-N 3.18Å; E370-K374 WeakPolarHBondContact OE1-CE 3.35Å; E370-K374 IonicContact OE1-NZ 3.44Å; E370-K374 PolarHBondContact OE1-NZ 2.96Å; D371-K374 PolarHBondContact O-N 2.83Å; K374-S377 PolarHBondContact O-OG 3.36Å; K374-S378 VanDerWaalsContact O-CB 3.28Å; K374-S378 WeakPolarHBondContact O-CB 3.34Å; K374-S378 PolarHBondContact O-N 3.12Å; K374-S378 VanDerWaalsContact O-N 3.11Å; K374-S378 PolarHBondContact O-OG 3.43Å; K374-L416 WeakPolarHBondContact CB-O 3.46Å
375	L	98.8	Very high	98.5	Very high	0 Å²	0	26.6 Å²	26.6	0%	0	13%	0.13	C	C	.	.	H	α-helix	trans	-64.8	-47.8	179.9	-67.3	168.7	0	0	0	111.5	L358 I367 D371 S378 L379 V412 L416 C418 M482	L358-L375 HydrophobicContact CD1-CD1 4.3Å; L358-L375 HydrophobicContact CD1-CD2 4.34Å; I367-L375 HydrophobicContact CD1-CD1 4.01Å; D371-L375 WeakPolarHBondContact O-CB 3.26Å; D371-L375 VanDerWaalsContact O-CG 3.24Å; D371-L375 WeakPolarHBondContact O-CG 3.33Å; D371-L375 PolarHBondContact O-N 3.12Å; L375-S378 PolarHBondContact O-OG 2.98Å; L375-L379 VanDerWaalsContact O-CB 3.3Å; L375-L379 WeakPolarHBondContact O-CB 3.27Å; L375-L379 PolarHBondContact O-N 3.46Å; L375-V412 HydrophobicContact CD2-CG1 4.12Å; L375-V412 HydrophobicContact CD2-CG2 4.4Å; L375-L416 VanDerWaalsContact CD2-O 3.23Å; L375-L416 WeakPolarHBondContact CD2-O 3.26Å; L375-L416 WeakPolarHBondContact CG-O 3.42Å; L375-C418 VanDerWaalsContact CD2-SG 3.51Å; L375-M482 HydrophobicContact CB-CE 3.79Å; L375-M482 HydrophobicContact CB-SD 3.75Å
376	G	98.8	Very high	98.5	Very high	0 Å²	0	22.8 Å²	22.8	0%	0	11%	0.112	C	C	.	.	H	α-helix	trans	-65.1	-45.9	-179.5	0	0	0	0	0	113.4	L372 L379 A380	L372-G376 PolarHBondContact O-N 3.25Å; G376-L379 PolarHBondContact O-N 2.95Å; G376-A380 PolarHBondContact O-N 3.44Å
377	S	98.5	Very high	98.5	Very high	8 Å²	8	19.9 Å²	19.9	6%	0.056	9%	0.094	C	C	.	.	H	α-helix	trans	-63.5	-47.1	178	61.5	0	0	0	0	112	R373 K374 L379 A380 R381	R373-S377 WeakPolarHBondContact O-CB 3.39Å; R373-S377 PolarHBondContact O-N 3.14Å; R373-S377 PolarHBondContact O-OG 3.12Å; K374-S377 PolarHBondContact O-OG 3.36Å; S377-L379 PolarHBondContact O-N 3.15Å; S377-A380 PolarHBondContact O-N 2.9Å; S377-R381 WeakPolarHBondContact O-CG 3.29Å; S377-R381 PolarHBondContact O-N 3.39Å
378	S	98.9	Very high	98.4	Very high	0 Å²	0	21 Å²	21	0%	0	10%	0.102	C	C	.	.	H	α-helix	trans	-66	-36.5	179.8	53.3	0	0	0	0	113	N328 K374 L375 G382 C418	N328-S378 VanDerWaalsContact CB-O 3.29Å; N328-S378 WeakPolarHBondContact CB-O 3.25Å; N328-S378 VanDerWaalsContact CG-O 3.25Å; N328-S378 VanDerWaalsContact ND2-CB 3.26Å; N328-S378 WeakPolarHBondContact ND2-CB 3.38Å; N328-S378 PolarHBondContact OD1-O 3.2Å; K374-S378 VanDerWaalsContact O-CB 3.28Å; K374-S378 WeakPolarHBondContact O-CB 3.34Å; K374-S378 PolarHBondContact O-N 3.12Å; K374-S378 VanDerWaalsContact O-N 3.11Å; K374-S378 PolarHBondContact O-OG 3.43Å; L375-S378 PolarHBondContact O-OG 2.98Å; S378-G382 PolarHBondContact O-N 2.85Å; S378-C418 PolarHBondContact OG-N 2.9Å
379	L	98.9	Very high	98.3	Very high	1 Å²	1	24.1 Å²	24.1	1%	0.005	12%	0.115	C	C	.	.	H	α-helix	trans	-59.5	-52	170.9	174.9	59.2	0	0	0	111.1	L375 G376 S377 R381 G382 I383 I410 C418 L420 M475 V478 L479 M482	L375-L379 VanDerWaalsContact O-CB 3.3Å; L375-L379 WeakPolarHBondContact O-CB 3.27Å; L375-L379 PolarHBondContact O-N 3.46Å; G376-L379 PolarHBondContact O-N 2.95Å; S377-L379 PolarHBondContact O-N 3.15Å; L379-R381 PolarHBondContact O-N 2.78Å; L379-G382 PolarHBondContact O-N 2.8Å; L379-I383 HydrophobicContact CD1-CD1 3.68Å; L379-I383 HydrophobicContact CD1-CG1 4.26Å; L379-I383 HydrophobicContact CG-CD1 4.04Å; L379-I383 WeakPolarHBondContact O-CG1 3.47Å; L379-I383 PolarHBondContact O-N 3.44Å; L379-I410 HydrophobicContact CD1-CD1 3.6Å; L379-I410 HydrophobicContact CD1-CG1 4.2Å; L379-I410 HydrophobicContact CD2-CD1 4.27Å; L379-C418 HydrophobicContact CB-CB 4.39Å; L379-L420 HydrophobicContact CD1-CD2 3.76Å; L379-M475 HydrophobicContact CD2-CG 4.02Å; L379-M475 HydrophobicContact CG-CG 4.19Å; L379-V478 HydrophobicContact CD2-CB 4.13Å; L379-V478 HydrophobicContact CD2-CG1 3.7Å; L379-L479 HydrophobicContact CD2-CD2 4.28Å; L379-M482 HydrophobicContact CB-CE 4.31Å; L379-M482 HydrophobicContact CD2-CE 3.82Å
380	A	98.8	Very high	98.2	Very high	0 Å²	0	27.1 Å²	27.1	0%	0	13%	0.131	C	C	.	.	H	α-helix	trans	-61.3	-43.4	-179.3	0	0	0	0	0	112	G376 S377 G382 I383 A384 M475 V559 A560	G376-A380 PolarHBondContact O-N 3.44Å; S377-A380 PolarHBondContact O-N 2.9Å; A380-G382 PolarHBondContact O-N 2.82Å; A380-I383 PolarHBondContact O-N 2.66Å; A380-A384 VanDerWaalsContact O-CB 3.28Å; A380-A384 WeakPolarHBondContact O-CB 3.45Å; A380-A384 PolarHBondContact O-N 3.37Å; A380-M475 HydrophobicContact CB-SD 4.29Å; A380-V559 HydrophobicContact CB-CB 4.21Å; A380-V559 HydrophobicContact CB-CG1 3.81Å; A380-A560 HydrophobicContact CB-CB 3.92Å
381	R	98.8	Very high	98.1	Very high	79 Å²	79	22.7 Å²	22.7	30%	0.298	11%	0.111	S	C	.	.	H	α-helix	trans	-61.9	-41.2	175	-70.5	-166.5	-52.9	-139.4	11.8	112.6	E327 N328 S377 L379 A384 H385 A560	E327-R381 IonicContact OE1-CZ 2.73Å; E327-R381 IonicContact OE1-NE 2.96Å; E327-R381 PolarHBondContact OE1-NE 2.76Å; E327-R381 IonicContact OE1-NH2 2.84Å; E327-R381 PolarHBondContact OE1-NH2 3.46Å; N328-R381 PolarHBondContact OD1-NE 3.48Å; S377-R381 WeakPolarHBondContact O-CG 3.29Å; S377-R381 PolarHBondContact O-N 3.39Å; L379-R381 PolarHBondContact O-N 2.78Å; R381-A384 PolarHBondContact O-N 2.89Å; R381-H385 WeakPolarHBondContact O-CB 3.12Å; R381-H385 PolarHBondContact O-N 2.63Å; R381-A560 HydrophobicContact CG-CB 4.04Å
382	G	98.8	Very high	97.7	Very high	0 Å²	0	26.9 Å²	26.9	0%	0	14%	0.14	C	C	.	.	H	α-helix	trans	-60.4	-45.4	176.2	0	0	0	0	0	112.5	S378 L379 A380 L386	S378-G382 PolarHBondContact O-N 2.85Å; L379-G382 PolarHBondContact O-N 2.8Å; A380-G382 PolarHBondContact O-N 2.82Å; G382-L386 PolarHBondContact O-N 2.68Å; G382-L386 VanDerWaalsContact O-N 3.08Å
383	I	98.8	Very high	97.5	Very high	0 Å²	0	31.5 Å²	31.5	0%	0	17%	0.171	C	C	.	.	H	α-helix	trans	-70.6	-42.4	178.9	-62.2	168.1	0	0	0	110.7	L379 A380 H385 L386 H387 L405 L420 M475 A556	L379-I383 HydrophobicContact CD1-CD1 3.68Å; L379-I383 HydrophobicContact CD1-CG1 4.26Å; L379-I383 HydrophobicContact CG-CD1 4.04Å; L379-I383 WeakPolarHBondContact O-CG1 3.47Å; L379-I383 PolarHBondContact O-N 3.44Å; A380-I383 PolarHBondContact O-N 2.66Å; I383-H385 VanDerWaalsContact C-N 3.33Å; I383-H385 PolarHBondContact O-N 3.1Å; I383-L386 WeakPolarHBondContact O-CB 3.28Å; I383-L386 PolarHBondContact O-N 2.84Å; I383-L386 VanDerWaalsContact O-N 3.09Å; I383-H387 VanDerWaalsContact CG2-CE1 3.5Å; I383-H387 WeakPolarHBondContact CG2-CE1 3.29Å; I383-H387 WeakPolarHBondContact O-CB 3.13Å; I383-H387 PolarHBondContact O-N 2.9Å; I383-L405 HydrophobicContact CD1-CD1 3.65Å; I383-L405 HydrophobicContact CD1-CD2 4.21Å; I383-L405 HydrophobicContact CG1-CD1 4.05Å; I383-L405 HydrophobicContact CG1-CD2 4.38Å; I383-L420 HydrophobicContact CG1-CD1 3.82Å; I383-L420 HydrophobicContact CG1-CD2 4.36Å; I383-M475 HydrophobicContact CD1-CB 3.75Å; I383-M475 HydrophobicContact CD1-CG 3.65Å; I383-M475 HydrophobicContact CD1-SD 3.54Å; I383-M475 VanDerWaalsContact CD1-SD 3.54Å; I383-A556 HydrophobicContact CB-CB 3.95Å; I383-A556 HydrophobicContact CG2-CB 3.58Å
384	A	98.8	Very high	97.3	Very high	11 Å²	11	33 Å²	33	9%	0.091	19%	0.194	C	C	.	.	H	α-helix	trans	-58.1	-44	175.9	0	0	0	0	0	111.9	A380 R381 L386 H387 S388 A556 Q557	A380-A384 VanDerWaalsContact O-CB 3.28Å; A380-A384 WeakPolarHBondContact O-CB 3.45Å; A380-A384 PolarHBondContact O-N 3.37Å; R381-A384 PolarHBondContact O-N 2.89Å; A384-L386 PolarHBondContact O-N 2.83Å; A384-H387 PolarHBondContact O-N 3.25Å; A384-S388 WeakPolarHBondContact O-CB 3.44Å; A384-S388 PolarHBondContact O-N 3.24Å; A384-A556 HydrophobicContact CB-CB 4.13Å; A384-Q557 HydrophobicContact CB-CB 4.26Å
385	H	98.6	Very high	97.1	Very high	15 Å²	15	38 Å²	38	7%	0.069	21%	0.211	C	C	.	.	H	α-helix	trans	-62.6	-40.9	174	175.2	75.2	0	0	0	112.4	N323 L324 H326 R381 I383 S388 K397	N323-H385 PolarHBondContact O-CE1 3.18Å; N323-H385 PolarHBondContact O-NE2 3.4Å; L324-H385 PolarHBondContact O-NE2 2.93Å; H326-H385 VanDerWaalsContact CB-CD2 3.42Å; H326-H385 WeakPolarHBondContact CB-CD2 3.41Å; H326-H385 AromaticContact CD2-CG 3.78Å; H326-H385 AromaticContact CD2-ND1 3.87Å; H326-H385 AromaticContact CG-CD2 3.81Å; H326-H385 AromaticContact CG-CG 3.73Å; R381-H385 WeakPolarHBondContact O-CB 3.12Å; R381-H385 PolarHBondContact O-N 2.63Å; I383-H385 VanDerWaalsContact C-N 3.33Å; I383-H385 PolarHBondContact O-N 3.1Å; H385-S388 PolarHBondContact O-N 3.01Å; H385-K397 WeakPolarHBondContact O-CE 3.36Å; H385-K397 PolarHBondContact O-NZ 2.98Å; H385-K397 VanDerWaalsContact O-NZ 3.11Å
386	L	98.2	Very high	96.9	Very high	0 Å²	0	43.6 Å²	43.6	0%	0	25%	0.247	C	C	.	.	H	α-helix	trans	-61.3	-46.2	177.4	-162.1	67.6	0	0	0	110.9	L324 I329 G382 I383 A384 K397 I400 H402 L420 F423	L324-L386 HydrophobicContact CD1-CD1 3.61Å; I329-L386 HydrophobicContact CD1-CD1 4.39Å; G382-L386 PolarHBondContact O-N 2.68Å; G382-L386 VanDerWaalsContact O-N 3.08Å; I383-L386 WeakPolarHBondContact O-CB 3.28Å; I383-L386 PolarHBondContact O-N 2.84Å; I383-L386 VanDerWaalsContact O-N 3.09Å; A384-L386 PolarHBondContact O-N 2.83Å; L386-K397 PolarHBondContact O-NZ 3.3Å; L386-I400 CarbonylContact C-O 3.57Å; L386-I400 HydrophobicContact CD1-CB 3.68Å; L386-I400 HydrophobicContact CD1-CD1 4.15Å; L386-I400 HydrophobicContact CD1-CG2 3.66Å; L386-I400 HydrophobicContact CD2-CG2 4.21Å; L386-I400 HydrophobicContact CG-CB 3.78Å; L386-I400 HydrophobicContact CG-CG2 3.86Å; L386-I400 WeakPolarHBondContact CG-O 3.39Å; L386-I400 PolarHBondContact O-N 2.87Å; L386-H402 HydrophobicContact CD2-CB 3.91Å; L386-L420 HydrophobicContact CD2-CD1 4.32Å; L386-F423 HydrophobicContact CD1-CE1 3.97Å; L386-F423 HydrophobicContact CD2-CE1 4.2Å
387	H	98.2	Very high	96.7	Very high	14 Å²	14	44.1 Å²	44.1	7%	0.065	25%	0.25	C	C	.	.	H	α-helix	trans	-74.7	-20.5	-178.3	-72.9	-170.4	0	0	0	114.5	I383 A384 I400 K468 D471	I383-H387 VanDerWaalsContact CG2-CE1 3.5Å; I383-H387 WeakPolarHBondContact CG2-CE1 3.29Å; I383-H387 WeakPolarHBondContact O-CB 3.13Å; I383-H387 PolarHBondContact O-N 2.9Å; A384-H387 PolarHBondContact O-N 3.25Å; H387-I400 PolarHBondContact CD2-O 2.7Å; H387-I400 VanDerWaalsContact CD2-O 3.29Å; H387-K468 HydrophobicContact CB-CD 3.94Å; H387-K468 HydrophobicContact CB-CG 4.34Å; H387-K468 PolarHBondContact CE1-O 3.42Å; H387-K468 WeakPolarHBondContact O-CE 3.29Å; H387-K468 PolarHBondContact O-NZ 2.8Å; H387-D471 IonicContact CD2-OD2 2.83Å; H387-D471 IonicContact CE1-OD2 3.41Å; H387-D471 WeakPolarHBondContact NE2-CB 3.43Å; H387-D471 IonicContact NE2-OD2 3.53Å; H387-D471 PolarHBondContact NE2-OD2 2.85Å
388	S	97.6	Very high	96.5	Very high	24 Å²	24	45.9 Å²	45.9	17%	0.168	26%	0.258	C	S	.	.			trans	-65.5	138.6	-177.7	-173.5	0	0	0	0	112.5	A384 H385 H390 K397	A384-S388 WeakPolarHBondContact O-CB 3.44Å; A384-S388 PolarHBondContact O-N 3.24Å; H385-S388 PolarHBondContact O-N 3.01Å; S388-H390 VanDerWaalsContact C-N 3.29Å; S388-H390 WeakPolarHBondContact CB-O 3.45Å; S388-H390 PolarHBondContact OG-CE1 2.91Å; S388-H390 PolarHBondContact OG-N 2.92Å; S388-H390 VanDerWaalsContact OG-N 3.13Å; S388-H390 PolarHBondContact OG-ND1 2.83Å; S388-H390 PolarHBondContact OG-O 3.46Å; S388-K397 PolarHBondContact O-NZ 3.18Å
389	D	96.3	Very high	96.4	Very high	100 Å²	100	46.8 Å²	46.8	54%	0.535	26%	0.264	S	S	.	.	S	Bend	trans	-88	3.6	171.5	68.2	-12.5	0	0	0	112.9	P396 K397 P399	D389-P396 CarbonylContact O-C 3.4Å; D389-P396 WeakPolarHBondContact O-CA 3.42Å; D389-K397 CarbonylContact C-O 3.58Å; D389-K397 VanDerWaalsContact C-O 3.27Å; D389-K397 VanDerWaalsContact CA-O 3.25Å; D389-K397 WeakPolarHBondContact CA-O 3.36Å; D389-K397 PolarHBondContact O-N 3.49Å; D389-K397 VanDerWaalsContact O-O 3.04Å; D389-P399 HydrophobicContact CB-CG 3.81Å
390	H	95.4	Very high	96.3	Very high	97 Å²	97	46.8 Å²	46.8	45%	0.449	26%	0.263	S	S	.	.	B	Isolated β-bridge	trans	-142.1	151.1	175.9	58.2	-78.6	0	0	0	112.3	S388 R395	S388-H390 VanDerWaalsContact C-N 3.29Å; S388-H390 WeakPolarHBondContact CB-O 3.45Å; S388-H390 PolarHBondContact OG-CE1 2.91Å; S388-H390 PolarHBondContact OG-N 2.92Å; S388-H390 VanDerWaalsContact OG-N 3.13Å; S388-H390 PolarHBondContact OG-ND1 2.83Å; S388-H390 PolarHBondContact OG-O 3.46Å; H390-R395 CarbonylContact C-O 3.59Å; H390-R395 WeakPolarHBondContact CA-O 3.25Å; H390-R395 WeakPolarHBondContact CB-O 3.28Å
391	T	94.6	Very high	96.3	Very high	10 Å²	10	46.8 Å²	46.8	6%	0.061	26%	0.263	C	S	.	.			trans	-73.1	163.3	169.7	67.1	0	0	0	0	110.4	N323 C393 G394 R395 K397	N323-T391 HydrophobicContact CB-CG2 3.88Å; N323-T391 WeakPolarHBondContact OD1-CG2 3.42Å; T391-C393 PolarHBondContact O-N 2.87Å; T391-C393 PolarHBondContact OG1-SG 2.87Å; T391-G394 PolarHBondContact O-N 2.93Å; T391-R395 HydrophobicContact CG2-CB 4.22Å; T391-R395 PolarHBondContact N-O 3.39Å; T391-R395 WeakPolarHBondContact OG1-CB 3.39Å; T391-R395 PolarHBondContact OG1-N 2.83Å; T391-R395 VanDerWaalsContact OG1-N 3.09Å; T391-R395 PolarHBondContact OG1-O 3.01Å; T391-K397 HydrophobicContact CG2-CB 4.17Å
392	P	91.3	Very high	96.2	Very high	118 Å²	118	43 Å²	43	77%	0.766	25%	0.249	S	C	*	.	T	Hydrogen-bonded Turn	trans	-56.5	-23.1	175.2	-27.8	35.9	0	0	0	114.6	G394	P392-G394 VanDerWaalsContact C-N 3.34Å
393	C	93.1	Very high	96	Very high	96 Å²	96	44.8 Å²	44.8	65%	0.649	26%	0.256	S	S	*	.	T	Hydrogen-bonded Turn	trans	-91.8	11	175	65.1	0	0	0	0	114	T391	T391-C393 PolarHBondContact O-N 2.87Å; T391-C393 PolarHBondContact OG1-SG 2.87Å
394	G	93.3	Very high	95.9	Very high	57 Å²	57	45.5 Å²	45.5	59%	0.588	26%	0.26	S	S	*	.	S	Bend	trans	81.2	13.5	174.1	0	0	0	0	0	115.4	T391 P392	T391-G394 PolarHBondContact O-N 2.93Å; P392-G394 VanDerWaalsContact C-N 3.34Å
395	R	94.3	Very high	95.9	Very high	168 Å²	168	45 Å²	45	63%	0.634	26%	0.256	S	S	*	.			trans	-81.9	143.2	174.8	-61.5	-179.8	-178.9	-179.2	0.4	109.8	H390 T391 K397	H390-R395 CarbonylContact C-O 3.59Å; H390-R395 WeakPolarHBondContact CA-O 3.25Å; H390-R395 WeakPolarHBondContact CB-O 3.28Å; T391-R395 HydrophobicContact CG2-CB 4.22Å; T391-R395 PolarHBondContact N-O 3.39Å; T391-R395 WeakPolarHBondContact OG1-CB 3.39Å; T391-R395 PolarHBondContact OG1-N 2.83Å; T391-R395 VanDerWaalsContact OG1-N 3.09Å; T391-R395 PolarHBondContact OG1-O 3.01Å; R395-K397 PolarHBondContact O-N 2.91Å
396	P	94.8	Very high	95.9	Very high	117 Å²	117	45.7 Å²	45.7	76%	0.76	26%	0.258	S	S	*	.	B	Isolated β-bridge	trans	-56.4	136.9	173.3	-24.5	34.3	0	0	0	111.9	D389	D389-P396 CarbonylContact O-C 3.4Å; D389-P396 WeakPolarHBondContact O-CA 3.42Å
397	K	95	Very high	95.9	Very high	11 Å²	11	45.7 Å²	45.7	5%	0.048	26%	0.258	C	S	.	.			trans	-131.7	144.2	177.1	173.1	-172.9	157	-63.2	0	107.8	N323 H385 L386 S388 D389 T391 R395 P399	N323-K397 HydrophobicContact CB-CB 4.27Å; N323-K397 HydrophobicContact CB-CD 4.24Å; N323-K397 HydrophobicContact CB-CG 3.86Å; H385-K397 WeakPolarHBondContact O-CE 3.36Å; H385-K397 PolarHBondContact O-NZ 2.98Å; H385-K397 VanDerWaalsContact O-NZ 3.11Å; L386-K397 PolarHBondContact O-NZ 3.3Å; S388-K397 PolarHBondContact O-NZ 3.18Å; D389-K397 CarbonylContact C-O 3.58Å; D389-K397 VanDerWaalsContact C-O 3.27Å; D389-K397 VanDerWaalsContact CA-O 3.25Å; D389-K397 WeakPolarHBondContact CA-O 3.36Å; D389-K397 PolarHBondContact O-N 3.49Å; D389-K397 VanDerWaalsContact O-O 3.04Å; T391-K397 HydrophobicContact CG2-CB 4.17Å; R395-K397 PolarHBondContact O-N 2.91Å; K397-P399 WeakPolarHBondContact O-CD 3.47Å
398	M	95.1	Very high	95.8	Very high	46 Å²	46	46.9 Å²	46.9	23%	0.227	27%	0.268	C	S	.	.			trans	-70.9	123.6	172.2	-169.5	60.2	73.1	0	0	109.9	R428 D430	M398-R428 HydrophobicContact CG-CB 4.05Å; M398-D430 HydrophobicContact CE-CB 4.27Å; M398-D430 HydrophobicContact SD-CB 4.44Å
399	P	96.6	Very high	95.9	Very high	19 Å²	19	46.2 Å²	46.2	12%	0.123	26%	0.263	C	S	.	.			trans	-63.2	141.8	171.6	-21.5	34.1	0	0	0	110.7	D389 K397 L429	D389-P399 HydrophobicContact CB-CG 3.81Å; K397-P399 WeakPolarHBondContact O-CD 3.47Å; P399-L429 HydrophobicContact CB-CB 4.16Å; P399-L429 HydrophobicContact CB-CD1 3.79Å; P399-L429 HydrophobicContact CB-CG 4.34Å; P399-L429 PolarHBondContact O-N 3.37Å
400	I	97.1	Very high	96	Very high	0 Å²	0	41.5 Å²	41.5	0%	0	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.2	138.6	177.4	-64	157.8	0	0	0	107.3	I318 L324 L386 H387 L427 R428	I318-I400 HydrophobicContact CG2-CD1 4.25Å; L324-I400 HydrophobicContact CD1-CD1 3.9Å; L386-I400 CarbonylContact C-O 3.57Å; L386-I400 HydrophobicContact CD1-CB 3.68Å; L386-I400 HydrophobicContact CD1-CD1 4.15Å; L386-I400 HydrophobicContact CD1-CG2 3.66Å; L386-I400 HydrophobicContact CD2-CG2 4.21Å; L386-I400 HydrophobicContact CG-CB 3.78Å; L386-I400 HydrophobicContact CG-CG2 3.86Å; L386-I400 WeakPolarHBondContact CG-O 3.39Å; L386-I400 PolarHBondContact O-N 2.87Å; H387-I400 PolarHBondContact CD2-O 2.7Å; H387-I400 VanDerWaalsContact CD2-O 3.29Å; I400-L427 WeakPolarHBondContact CA-O 3.37Å; I400-R428 HydrophobicContact CG1-CG 4.14Å
401	V	96.9	Very high	96.1	Very high	0 Å²	0	38.3 Å²	38.3	0%	0	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.1	137.8	169.1	-68.6	0	0	0	0	108.8	R403 S426 L427 L429 F467 K468 D471	V401-R403 HydrophobicContact CB-CG 4.39Å; V401-R403 HydrophobicContact CG2-CG 3.93Å; V401-S426 CarbonylContact O-C 3.47Å; V401-S426 WeakPolarHBondContact O-CA 3.03Å; V401-S426 VanDerWaalsContact O-CB 3.26Å; V401-S426 WeakPolarHBondContact O-CB 3.45Å; V401-L427 HydrophobicContact CG2-CB 3.71Å; V401-L427 WeakPolarHBondContact CG2-O 3.18Å; V401-L427 PolarHBondContact N-O 3.44Å; V401-L427 PolarHBondContact O-N 3.16Å; V401-L429 HydrophobicContact CG1-CD1 3.71Å; V401-L429 HydrophobicContact CG1-CD2 4.3Å; V401-L429 HydrophobicContact CG1-CG 4.25Å; V401-L429 HydrophobicContact CG2-CD2 3.88Å; V401-L429 HydrophobicContact CG2-CG 4.39Å; V401-F467 HydrophobicContact CB-CB 4.19Å; V401-F467 HydrophobicContact CG1-CB 3.77Å; V401-F467 HydrophobicContact CG2-CB 3.94Å; V401-K468 HydrophobicContact CG1-CB 4.38Å; V401-K468 HydrophobicContact CG1-CG 3.64Å; V401-D471 WeakPolarHBondContact CA-OD2 3.26Å
402	H	97.5	Very high	96.3	Very high	0 Å²	0	37.9 Å²	37.9	0%	0	22%	0.221	C	C	.	.			trans	-78.9	-43.5	-171.5	-171.4	-45.4	0	0	0	112.1	L386 D404 L405 C421 D422 S426 D471	L386-H402 HydrophobicContact CD2-CB 3.91Å; H402-D404 PolarHBondContact CE1-O 2.81Å; H402-D404 PolarHBondContact ND1-N 2.92Å; H402-D404 PolarHBondContact O-N 2.94Å; H402-D404 VanDerWaalsContact O-N 3.1Å; H402-L405 HydrophobicContact CB-CD1 4.19Å; H402-L405 HydrophobicContact CB-CD2 4.24Å; H402-L405 HydrophobicContact CB-CG 3.75Å; H402-L405 VanDerWaalsContact CD2-CD2 3.46Å; H402-L405 WeakPolarHBondContact CD2-CD2 3.42Å; H402-C421 PolarHBondContact NE2-O 2.83Å; H402-C421 VanDerWaalsContact NE2-O 3.09Å; H402-D422 PolarHBondContact CE1-O 2.88Å; H402-S426 WeakPolarHBondContact CA-OG 3.38Å; H402-S426 WeakPolarHBondContact O-CA 3.17Å; H402-S426 PolarHBondContact O-OG 2.93Å; H402-D471 PolarHBondContact N-OD1 2.98Å; H402-D471 PolarHBondContact N-OD2 3.08Å
403	R	95.3	Very high	96.7	Very high	37 Å²	37	33.9 Å²	33.9	14%	0.14	19%	0.192	C	C	.	.	S	Bend	trans	65.1	-0.2	177.8	-55.7	179.4	66.1	-162.9	9.4	117	V401 L425 S441 G442 V444 D471	V401-R403 HydrophobicContact CB-CG 4.39Å; V401-R403 HydrophobicContact CG2-CG 3.93Å; R403-L425 WeakPolarHBondContact CD-O 3.4Å; R403-S441 PolarHBondContact NH1-OG 2.87Å; R403-S441 PolarHBondContact NH2-O 2.92Å; R403-S441 PolarHBondContact NH2-OG 3.33Å; R403-G442 PolarHBondContact NH2-O 3.32Å; R403-V444 HydrophobicContact CB-CG2 4.47Å; R403-V444 VanDerWaalsContact NH2-CG2 3.26Å; R403-D471 PolarHBondContact N-OD1 3.01Å
404	D	96.3	Very high	96.9	Very high	16 Å²	16	34 Å²	34	9%	0.086	19%	0.186	C	C	.	.			trans	-147.3	42.9	173.4	-161.8	34.5	0	0	0	111.2	H402 K406 N409 L425 G445 T446	H402-D404 PolarHBondContact CE1-O 2.81Å; H402-D404 PolarHBondContact ND1-N 2.92Å; H402-D404 PolarHBondContact O-N 2.94Å; H402-D404 VanDerWaalsContact O-N 3.1Å; D404-K406 PolarHBondContact O-N 2.95Å; D404-K406 IonicContact OD1-NZ 3.7Å; D404-K406 PolarHBondContact OD1-NZ 3.46Å; D404-K406 VanDerWaalsContact OD2-CE 3.28Å; D404-K406 WeakPolarHBondContact OD2-CE 3.44Å; D404-K406 IonicContact OD2-NZ 3.45Å; D404-K406 PolarHBondContact OD2-NZ 3.09Å; D404-N409 PolarHBondContact O-ND2 3.43Å; D404-N409 PolarHBondContact OD2-ND2 2.75Å; D404-L425 HydrophobicContact CB-CD1 4.01Å; D404-G445 WeakPolarHBondContact OD1-CA 3.46Å; D404-T446 VanDerWaalsContact OD1-CB 3.32Å; D404-T446 WeakPolarHBondContact OD1-CB 3.48Å; D404-T446 PolarHBondContact OD1-N 2.85Å; D404-T446 PolarHBondContact OD1-OG1 3.09Å
405	L	98.4	Very high	97.1	Very high	1 Å²	1	34.8 Å²	34.8	1%	0.005	18%	0.176	C	C	.	.			trans	-67.6	124.9	173.5	-81.6	169.6	0	0	0	110.3	I383 H402 L420 D471	I383-L405 HydrophobicContact CD1-CD1 3.65Å; I383-L405 HydrophobicContact CD1-CD2 4.21Å; I383-L405 HydrophobicContact CG1-CD1 4.05Å; I383-L405 HydrophobicContact CG1-CD2 4.38Å; H402-L405 HydrophobicContact CB-CD1 4.19Å; H402-L405 HydrophobicContact CB-CD2 4.24Å; H402-L405 HydrophobicContact CB-CG 3.75Å; H402-L405 VanDerWaalsContact CD2-CD2 3.46Å; H402-L405 WeakPolarHBondContact CD2-CD2 3.42Å; L405-L420 HydrophobicContact CD2-CD2 3.79Å; L405-D471 HydrophobicContact CD1-CB 3.59Å
406	K	98.2	Very high	97.3	Very high	29 Å²	29	28 Å²	28	13%	0.126	15%	0.152	C	C	.	.			trans	-164.1	160	177.5	55.9	-172.3	168.2	-165.4	0	109	D404 S408 N409 T446 Y449	D404-K406 PolarHBondContact O-N 2.95Å; D404-K406 IonicContact OD1-NZ 3.7Å; D404-K406 PolarHBondContact OD1-NZ 3.46Å; D404-K406 VanDerWaalsContact OD2-CE 3.28Å; D404-K406 WeakPolarHBondContact OD2-CE 3.44Å; D404-K406 IonicContact OD2-NZ 3.45Å; D404-K406 PolarHBondContact OD2-NZ 3.09Å; K406-S408 VanDerWaalsContact CD-OG 3.29Å; K406-S408 WeakPolarHBondContact CD-OG 3.2Å; K406-S408 VanDerWaalsContact CE-OG 3.26Å; K406-S408 WeakPolarHBondContact CE-OG 3.38Å; K406-S408 WeakPolarHBondContact CG-OG 3.43Å; K406-S408 PolarHBondContact O-N 2.85Å; K406-S408 VanDerWaalsContact O-N 3.13Å; K406-N409 WeakPolarHBondContact CE-ND2 3.39Å; K406-N409 WeakPolarHBondContact CE-OD1 3.34Å; K406-N409 HydrophobicContact CG-CB 4.03Å; K406-N409 PolarHBondContact O-N 3.33Å; K406-T446 HydrophobicContact CD-CG2 4.35Å; K406-T446 WeakPolarHBondContact CD-OG1 3.23Å; K406-T446 PolarHBondContact NZ-OG1 3.39Å; K406-Y449 HydrophobicContact CB-CD1 4.02Å; K406-Y449 HydrophobicContact CB-CD2 3.66Å; K406-Y449 HydrophobicContact CB-CE1 3.89Å; K406-Y449 HydrophobicContact CB-CE2 3.51Å; K406-Y449 HydrophobicContact CB-CG 3.92Å
407	S	98.6	Very high	97.5	Very high	0 Å²	0	23.1 Å²	23.1	0%	0	12%	0.121	C	C	.	.	G	3₁₀ helix	trans	-59	-24.7	-179.6	51.4	0	0	0	0	114.3	L358 Q359 N409 Y449 E481	L358-S407 WeakPolarHBondContact CB-O 3.34Å; L358-S407 PolarHBondContact N-O 3.48Å; Q359-S407 WeakPolarHBondContact CB-OG 3.48Å; Q359-S407 PolarHBondContact N-O 3.31Å; Q359-S407 VanDerWaalsContact N-O 3.07Å; S407-N409 VanDerWaalsContact C-N 3.33Å; S407-Y449 PolarHBondContact OG-OH 2.98Å; S407-E481 WeakPolarHBondContact CB-OE1 3.45Å; S407-E481 VanDerWaalsContact CB-OE2 3.3Å; S407-E481 WeakPolarHBondContact CB-OE2 3.33Å; S407-E481 VanDerWaalsContact OG-CD 3.32Å; S407-E481 PolarHBondContact OG-OE1 3.14Å; S407-E481 PolarHBondContact OG-OE2 3.27Å
408	S	97.2	Very high	97.7	Very high	38 Å²	38	22.7 Å²	22.7	27%	0.266	12%	0.119	S	C	.	.	G	3₁₀ helix	trans	-75.6	-18	174.2	72.3	0	0	0	0	114.3	N357 K406	N357-S408 WeakPolarHBondContact CB-O 3.34Å; K406-S408 VanDerWaalsContact CD-OG 3.29Å; K406-S408 WeakPolarHBondContact CD-OG 3.2Å; K406-S408 VanDerWaalsContact CE-OG 3.26Å; K406-S408 WeakPolarHBondContact CE-OG 3.38Å; K406-S408 WeakPolarHBondContact CG-OG 3.43Å; K406-S408 PolarHBondContact O-N 2.85Å; K406-S408 VanDerWaalsContact O-N 3.13Å
409	N	97.9	Very high	97.8	Very high	11 Å²	11	20.6 Å²	20.6	6%	0.059	11%	0.109	C	C	.	.	G	3₁₀ helix	trans	-105.7	16	-179.3	-72.3	14.2	0	0	0	112.2	D404 K406 S407 C421 D422	D404-N409 PolarHBondContact O-ND2 3.43Å; D404-N409 PolarHBondContact OD2-ND2 2.75Å; K406-N409 WeakPolarHBondContact CE-ND2 3.39Å; K406-N409 WeakPolarHBondContact CE-OD1 3.34Å; K406-N409 HydrophobicContact CG-CB 4.03Å; K406-N409 PolarHBondContact O-N 3.33Å; S407-N409 VanDerWaalsContact C-N 3.33Å; N409-C421 PolarHBondContact O-N 3.42Å; N409-C421 VanDerWaalsContact O-N 3.16Å; N409-C421 PolarHBondContact O-SG 3.12Å; N409-D422 HydrophobicContact CB-CB 4.3Å; N409-D422 PolarHBondContact ND2-OD2 2.71Å
410	I	98.8	Very high	97.9	Very high	1 Å²	1	19.7 Å²	19.7	1%	0.005	10%	0.103	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.7	126.7	175.5	-63.5	161.5	0	0	0	107.1	N357 L358 L379 C418 L420 V478	N357-I410 CarbonylContact C-O 3.58Å; N357-I410 VanDerWaalsContact CA-O 3.24Å; N357-I410 WeakPolarHBondContact CA-O 3.47Å; L358-I410 HydrophobicContact CB-CB 4.14Å; L358-I410 HydrophobicContact CB-CG2 4.19Å; L358-I410 HydrophobicContact CD2-CB 4.41Å; L358-I410 HydrophobicContact CD2-CD1 4.37Å; L358-I410 HydrophobicContact CD2-CG2 4.22Å; L358-I410 PolarHBondContact N-O 2.86Å; L379-I410 HydrophobicContact CD1-CD1 3.6Å; L379-I410 HydrophobicContact CD1-CG1 4.2Å; L379-I410 HydrophobicContact CD2-CD1 4.27Å; I410-C418 HydrophobicContact CG2-CB 3.74Å; I410-L420 HydrophobicContact CG1-CD2 3.99Å; I410-V478 HydrophobicContact CD1-CB 4.42Å; I410-V478 HydrophobicContact CD1-CG1 3.71Å; I410-V478 HydrophobicContact CD1-CG2 4.12Å
411	L	98.7	Very high	97.9	Very high	30 Å²	30	20.5 Å²	20.5	16%	0.157	11%	0.108	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97	144.9	178.9	-61.3	174.3	0	0	0	110.7	L330 H353 G356 N357 C418 C419 C421	L330-L411 HydrophobicContact CD1-CD1 3.91Å; L330-L411 HydrophobicContact CD2-CD1 4.07Å; H353-L411 HydrophobicContact CB-CB 4.37Å; G356-L411 WeakPolarHBondContact O-CA 3.46Å; N357-L411 HydrophobicContact CB-CD2 4.37Å; L411-C418 WeakPolarHBondContact O-CA 3.49Å; L411-C419 PolarHBondContact N-O 3.24Å; L411-C419 PolarHBondContact O-N 3.02Å; L411-C421 HydrophobicContact CD1-CB 4.07Å; L411-C421 HydrophobicContact CG-CB 4.33Å
412	V	98.8	Very high	97.8	Very high	0 Å²	0	21.9 Å²	21.9	0%	0	12%	0.116	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.5	120.1	175.3	-174.5	0	0	0	0	109.1	K355 G356 L358 Y361 L375 L416	K355-V412 HydrophobicContact CB-CB 4.02Å; K355-V412 HydrophobicContact CB-CG1 4.22Å; K355-V412 WeakPolarHBondContact CB-O 3.39Å; K355-V412 HydrophobicContact CD-CG1 3.81Å; G356-V412 PolarHBondContact O-N 3.5Å; L358-V412 HydrophobicContact CB-CG2 4.1Å; L358-V412 HydrophobicContact CD1-CG2 3.86Å; Y361-V412 HydrophobicContact CD1-CG1 4.48Å; Y361-V412 HydrophobicContact CD1-CG2 4.24Å; Y361-V412 HydrophobicContact CD2-CG1 4.38Å; Y361-V412 HydrophobicContact CG-CB 4.43Å; Y361-V412 HydrophobicContact CG-CG1 4.4Å; Y361-V412 HydrophobicContact CG-CG2 3.97Å; L375-V412 HydrophobicContact CD2-CG1 4.12Å; L375-V412 HydrophobicContact CD2-CG2 4.4Å; V412-L416 HydrophobicContact CG1-CD2 3.92Å
413	K	98.6	Very high	97.6	Very high	35 Å²	35	21.9 Å²	21.9	15%	0.152	12%	0.116	C	C	.	.	P	Polyproline II helix	trans	-79.9	165.6	176.4	-69.3	168.5	55.8	-159.6	0	111.2	E327 K355 D415 L416 T417 C419	E327-K413 PolarHBondContact O-NZ 3.3Å; K355-K413 WeakPolarHBondContact CD-O 3.39Å; K413-D415 WeakPolarHBondContact CB-OD1 3.28Å; K413-D415 IonicContact NZ-OD2 2.75Å; K413-D415 PolarHBondContact NZ-OD2 3.08Å; K413-D415 PolarHBondContact O-N 3.07Å; K413-L416 PolarHBondContact O-N 3.07Å; K413-T417 WeakPolarHBondContact CB-O 3.4Å; K413-T417 WeakPolarHBondContact CD-OG1 3.48Å; K413-T417 WeakPolarHBondContact CE-OG1 3.34Å; K413-T417 PolarHBondContact N-O 3.36Å; K413-T417 PolarHBondContact NZ-OG1 3Å; K413-C419 HydrophobicContact CD-CB 4.25Å
414	N	97.7	Very high	97.4	Very high	99 Å²	99	20.5 Å²	20.5	53%	0.529	11%	0.113	S	C	.	.	T	Hydrogen-bonded Turn	trans	-61	-31.8	-177.7	-71	-19.3	0	0	0	113.3	K355 L416	K355-N414 WeakPolarHBondContact CE-O 3.4Å; N414-L416 PolarHBondContact O-N 2.88Å
415	D	97.6	Very high	97.1	Very high	72 Å²	72	21 Å²	21	39%	0.385	12%	0.116	S	C	.	.	T	Hydrogen-bonded Turn	trans	-79.7	5.9	176.5	63.7	-2.8	0	0	0	114.1	K413 T417	K413-D415 WeakPolarHBondContact CB-OD1 3.28Å; K413-D415 IonicContact NZ-OD2 2.75Å; K413-D415 PolarHBondContact NZ-OD2 3.08Å; K413-D415 PolarHBondContact O-N 3.07Å; D415-T417 VanDerWaalsContact C-N 3.26Å; D415-T417 PolarHBondContact O-N 3.12Å; D415-T417 WeakPolarHBondContact OD1-CB 3.28Å; D415-T417 PolarHBondContact OD1-N 2.63Å; D415-T417 PolarHBondContact OD1-OG1 3.16Å; D415-T417 PolarHBondContact OD2-OG1 2.7Å; D415-T417 VanDerWaalsContact OD2-OG1 3.1Å
416	L	98.3	Very high	96.9	Very high	25 Å²	25	21.4 Å²	21.4	13%	0.131	12%	0.119	C	C	.	.	S	Bend	trans	61.6	28.3	-174.6	-60.1	-179.8	0	0	0	114.4	K355 Y361 D371 K374 L375 V412 K413 N414	K355-L416 HydrophobicContact CD-CD2 3.9Å; Y361-L416 HydrophobicContact CE1-CD2 4.27Å; Y361-L416 HydrophobicContact CE2-CD2 4.36Å; Y361-L416 VanDerWaalsContact OH-CD2 3.31Å; Y361-L416 WeakPolarHBondContact OH-CD2 3.27Å; D371-L416 HydrophobicContact CB-CD1 4.38Å; D371-L416 WeakPolarHBondContact OD1-CD1 3.3Å; K374-L416 WeakPolarHBondContact CB-O 3.46Å; L375-L416 VanDerWaalsContact CD2-O 3.23Å; L375-L416 WeakPolarHBondContact CD2-O 3.26Å; L375-L416 WeakPolarHBondContact CG-O 3.42Å; V412-L416 HydrophobicContact CG1-CD2 3.92Å; K413-L416 PolarHBondContact O-N 3.07Å; N414-L416 PolarHBondContact O-N 2.88Å
417	T	98.8	Very high	96.7	Very high	16 Å²	16	21.4 Å²	21.4	10%	0.098	12%	0.12	C	C	.	.			trans	-95.7	158.7	163.7	65.7	0	0	0	0	111.2	K413 D415	K413-T417 WeakPolarHBondContact CB-O 3.4Å; K413-T417 WeakPolarHBondContact CD-OG1 3.48Å; K413-T417 WeakPolarHBondContact CE-OG1 3.34Å; K413-T417 PolarHBondContact N-O 3.36Å; K413-T417 PolarHBondContact NZ-OG1 3Å; D415-T417 VanDerWaalsContact C-N 3.26Å; D415-T417 PolarHBondContact O-N 3.12Å; D415-T417 WeakPolarHBondContact OD1-CB 3.28Å; D415-T417 PolarHBondContact OD1-N 2.63Å; D415-T417 PolarHBondContact OD1-OG1 3.16Å; D415-T417 PolarHBondContact OD2-OG1 2.7Å; D415-T417 VanDerWaalsContact OD2-OG1 3.1Å
418	C	98.8	Very high	96.4	Very high	1 Å²	1	26 Å²	26	1%	0.007	14%	0.137	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.5	151.3	176.6	-70.4	0	0	0	0	111.8	N328 L375 S378 L379 I410 L411	N328-C418 WeakPolarHBondContact CA-O 3.24Å; N328-C418 WeakPolarHBondContact CB-O 3.45Å; N328-C418 PolarHBondContact ND2-O 2.79Å; L375-C418 VanDerWaalsContact CD2-SG 3.51Å; S378-C418 PolarHBondContact OG-N 2.9Å; L379-C418 HydrophobicContact CB-CB 4.39Å; I410-C418 HydrophobicContact CG2-CB 3.74Å; L411-C418 WeakPolarHBondContact O-CA 3.49Å
419	C	98.5	Very high	96.2	Very high	2 Å²	2	24.7 Å²	24.7	1%	0.014	13%	0.127	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.8	143.8	156.6	67.5	0	0	0	0	111.5	N328 H353 L411 K413	N328-C419 CarbonylContact O-C 3.57Å; N328-C419 VanDerWaalsContact O-CA 3.26Å; N328-C419 WeakPolarHBondContact O-CA 3.27Å; H353-C419 PolarHBondContact CD2-SG 3.27Å; H353-C419 PolarHBondContact NE2-SG 2.94Å; H353-C419 VanDerWaalsContact NE2-SG 3.4Å; L411-C419 PolarHBondContact N-O 3.24Å; L411-C419 PolarHBondContact O-N 3.02Å; K413-C419 HydrophobicContact CD-CB 4.25Å
420	L	98.8	Very high	95.7	Very high	1 Å²	1	27.1 Å²	27.1	1%	0.005	14%	0.14	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-78.9	140.5	179.1	-56.4	-179.3	0	0	0	111	N328 I329 L330 L379 I383 L386 L405 I410 F423	N328-L420 PolarHBondContact O-N 2.76Å; I329-L420 HydrophobicContact CD1-CB 3.96Å; I329-L420 HydrophobicContact CD1-CD1 3.81Å; I329-L420 HydrophobicContact CD1-CG 4.13Å; L330-L420 VanDerWaalsContact CB-O 3.27Å; L330-L420 WeakPolarHBondContact CB-O 3.26Å; L330-L420 PolarHBondContact N-O 3.07Å; L379-L420 HydrophobicContact CD1-CD2 3.76Å; I383-L420 HydrophobicContact CG1-CD1 3.82Å; I383-L420 HydrophobicContact CG1-CD2 4.36Å; L386-L420 HydrophobicContact CD2-CD1 4.32Å; L405-L420 HydrophobicContact CD2-CD2 3.79Å; I410-L420 HydrophobicContact CG1-CD2 3.99Å; L420-F423 HydrophobicContact CB-CZ 4.18Å
421	C	96.5	Very high	95	Very high	16 Å²	16	32.8 Å²	32.8	11%	0.108	18%	0.177	C	C	.	.			trans	-138.6	176.7	173.3	73.4	0	0	0	0	111.4	L330 H402 N409 L411	L330-C421 HydrophobicContact CB-CB 4.09Å; L330-C421 HydrophobicContact CD2-CB 3.63Å; L330-C421 HydrophobicContact CG-CB 4.49Å; H402-C421 PolarHBondContact NE2-O 2.83Å; H402-C421 VanDerWaalsContact NE2-O 3.09Å; N409-C421 PolarHBondContact O-N 3.42Å; N409-C421 VanDerWaalsContact O-N 3.16Å; N409-C421 PolarHBondContact O-SG 3.12Å; L411-C421 HydrophobicContact CD1-CB 4.07Å; L411-C421 HydrophobicContact CG-CB 4.33Å
422	D	93.8	Very high	94.5	Very high	29 Å²	29	36.9 Å²	36.9	16%	0.155	20%	0.204	C	C	.	.			trans	64.7	73.3	177.3	-164.6	22.6	0	0	0	114.8	K302 H402 N409 G424	K302-D422 IonicContact NZ-OD1 2.88Å; K302-D422 PolarHBondContact NZ-OD1 2.9Å; H402-D422 PolarHBondContact CE1-O 2.88Å; N409-D422 HydrophobicContact CB-CB 4.3Å; N409-D422 PolarHBondContact ND2-OD2 2.71Å; D422-G424 VanDerWaalsContact C-N 3.29Å; D422-G424 PolarHBondContact O-N 2.89Å
423	F	94.8	Very high	93.8	Very high	0 Å²	0	39.8 Å²	39.8	0%	0	22%	0.219	C	C	.	.			trans	-90.2	17.8	-179	-60.2	-78.5	0	0	0	113.7	E315 I318 F319 I329 L386 L420 L425 S426	E315-F423 VanDerWaalsContact CG-C 3.45Å; E315-F423 HydrophobicContact CG-CB 4.19Å; I318-F423 HydrophobicContact CB-CB 4.43Å; I318-F423 HydrophobicContact CD1-CB 3.96Å; I318-F423 HydrophobicContact CG2-CB 4.06Å; I318-F423 HydrophobicContact CG2-CD1 4.22Å; I318-F423 HydrophobicContact CG2-CD2 4.37Å; I318-F423 HydrophobicContact CG2-CG 3.95Å; F319-F423 HydrophobicContact CD1-CD2 4.35Å; F319-F423 HydrophobicContact CD1-CE2 4.29Å; F319-F423 HydrophobicContact CD2-CD2 4.39Å; F319-F423 AromaticContact CE1-CD2 3.72Å; F319-F423 HydrophobicContact CE1-CD2 3.72Å; F319-F423 AromaticContact CE1-CE2 3.47Å; F319-F423 HydrophobicContact CE1-CE2 3.47Å; F319-F423 VanDerWaalsContact CE1-CE2 3.47Å; F319-F423 AromaticContact CE2-CD2 3.73Å; F319-F423 HydrophobicContact CE2-CD2 3.73Å; F319-F423 HydrophobicContact CE2-CE2 4.3Å; F319-F423 AromaticContact CZ-CD2 3.36Å; F319-F423 HydrophobicContact CZ-CD2 3.36Å; F319-F423 AromaticContact CZ-CE2 3.47Å; F319-F423 HydrophobicContact CZ-CE2 3.47Å; F319-F423 VanDerWaalsContact CZ-CE2 3.47Å; I329-F423 HydrophobicContact CD1-CZ 4.34Å; I329-F423 HydrophobicContact CG2-CE2 4.23Å; I329-F423 HydrophobicContact CG2-CZ 3.96Å; L386-F423 HydrophobicContact CD1-CE1 3.97Å; L386-F423 HydrophobicContact CD2-CE1 4.2Å; L420-F423 HydrophobicContact CB-CZ 4.18Å; F423-L425 PolarHBondContact O-N 2.88Å; F423-L425 VanDerWaalsContact O-N 3.16Å; F423-S426 VanDerWaalsContact CA-OG 3.3Å; F423-S426 WeakPolarHBondContact CA-OG 3.48Å; F423-S426 WeakPolarHBondContact CD1-OG 3.49Å; F423-S426 WeakPolarHBondContact O-CB 3.2Å; F423-S426 PolarHBondContact O-N 2.88Å; F423-S426 PolarHBondContact O-OG 3.07Å
424	G	89.9	Confident	93.2	Very high	9 Å²	9	40.5 Å²	40.5	9%	0.093	23%	0.228	C	C	.	.	T	Hydrogen-bonded Turn	trans	-64.7	-21.1	-171.7	0	0	0	0	0	114.8	E315 D422	E315-G424 VanDerWaalsContact CG-CA 3.48Å; E315-G424 VanDerWaalsContact CG-N 3.26Å; D422-G424 VanDerWaalsContact C-N 3.29Å; D422-G424 PolarHBondContact O-N 2.89Å
425	L	91.1	Very high	92.6	Very high	27 Å²	27	39.3 Å²	39.3	14%	0.141	22%	0.224	C	C	.	.	T	Hydrogen-bonded Turn	trans	-110.6	0.7	175.8	-64.8	178.9	0	0	0	113.3	F280 R403 D404 F423 V444	F280-L425 HydrophobicContact CE2-CD2 4.22Å; F280-L425 HydrophobicContact CE2-CG 4.23Å; F280-L425 HydrophobicContact CZ-CD2 3.96Å; F280-L425 HydrophobicContact CZ-CG 4.43Å; R403-L425 WeakPolarHBondContact CD-O 3.4Å; D404-L425 HydrophobicContact CB-CD1 4.01Å; F423-L425 PolarHBondContact O-N 2.88Å; F423-L425 VanDerWaalsContact O-N 3.16Å; L425-V444 HydrophobicContact CB-CG2 4.34Å; L425-V444 HydrophobicContact CD1-CB 4.29Å; L425-V444 HydrophobicContact CD1-CG2 4.45Å; L425-V444 HydrophobicContact CD2-CB 4.22Å; L425-V444 HydrophobicContact CD2-CG2 4.39Å
426	S	93.9	Very high	91.9	Very high	9 Å²	9	41.3 Å²	41.3	6%	0.063	24%	0.235	C	C	.	.			trans	-70.6	150.3	-174.4	-60.2	0	0	0	0	111.8	I318 V401 H402 F423	I318-S426 VanDerWaalsContact CD1-CB 3.49Å; V401-S426 CarbonylContact O-C 3.47Å; V401-S426 WeakPolarHBondContact O-CA 3.03Å; V401-S426 VanDerWaalsContact O-CB 3.26Å; V401-S426 WeakPolarHBondContact O-CB 3.45Å; H402-S426 WeakPolarHBondContact CA-OG 3.38Å; H402-S426 WeakPolarHBondContact O-CA 3.17Å; H402-S426 PolarHBondContact O-OG 2.93Å; F423-S426 VanDerWaalsContact CA-OG 3.3Å; F423-S426 WeakPolarHBondContact CA-OG 3.48Å; F423-S426 WeakPolarHBondContact CD1-OG 3.49Å; F423-S426 WeakPolarHBondContact O-CB 3.2Å; F423-S426 PolarHBondContact O-N 2.88Å; F423-S426 PolarHBondContact O-OG 3.07Å
427	L	92.9	Very high	91.3	Very high	28 Å²	28	44 Å²	44	15%	0.147	25%	0.25	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.2	127.1	-177.9	-178.1	68.6	0	0	0	109.3	I400 V401 L429 L433 F467	I400-L427 WeakPolarHBondContact CA-O 3.37Å; V401-L427 HydrophobicContact CG2-CB 3.71Å; V401-L427 WeakPolarHBondContact CG2-O 3.18Å; V401-L427 PolarHBondContact N-O 3.44Å; V401-L427 PolarHBondContact O-N 3.16Å; L427-L429 HydrophobicContact CD2-CD2 4.15Å; L427-L429 HydrophobicContact CG-CD2 4.39Å; L427-L433 HydrophobicContact CD1-CD1 4.04Å; L427-L433 HydrophobicContact CG-CD1 4.36Å; L427-F467 HydrophobicContact CD2-CD1 4.39Å; L427-F467 HydrophobicContact CD2-CE1 4.26Å
428	R	93.8	Very high	90.5	Very high	96 Å²	96	43.9 Å²	43.9	36%	0.362	25%	0.248	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-78.1	126.2	165.9	-60.8	-177.7	78.2	-178.6	6.7	107.4	I318 D321 M398 I400 D430 L433	I318-R428 HydrophobicContact CG1-CG 4.23Å; D321-R428 IonicContact OD2-CZ 2.8Å; D321-R428 IonicContact OD2-NH2 2.76Å; D321-R428 PolarHBondContact OD2-NH2 2.87Å; M398-R428 HydrophobicContact CG-CB 4.05Å; I400-R428 HydrophobicContact CG1-CG 4.14Å; R428-D430 PolarHBondContact O-N 3.33Å; R428-L433 VanDerWaalsContact O-CD1 3.28Å; R428-L433 WeakPolarHBondContact O-CD1 3.45Å
429	L	91.5	Very high	89.6	Confident	11 Å²	11	46.3 Å²	46.3	6%	0.058	27%	0.268	C	S	.	.			trans	-82.4	64.2	-177.4	-58.8	174.4	0	0	0	110.2	P399 V401 L427 V464 F467 K468	P399-L429 HydrophobicContact CB-CB 4.16Å; P399-L429 HydrophobicContact CB-CD1 3.79Å; P399-L429 HydrophobicContact CB-CG 4.34Å; P399-L429 PolarHBondContact O-N 3.37Å; V401-L429 HydrophobicContact CG1-CD1 3.71Å; V401-L429 HydrophobicContact CG1-CD2 4.3Å; V401-L429 HydrophobicContact CG1-CG 4.25Å; V401-L429 HydrophobicContact CG2-CD2 3.88Å; V401-L429 HydrophobicContact CG2-CG 4.39Å; L427-L429 HydrophobicContact CD2-CD2 4.15Å; L427-L429 HydrophobicContact CG-CD2 4.39Å; L429-V464 HydrophobicContact CB-CG1 3.64Å; L429-V464 HydrophobicContact CD1-CG1 3.19Å; L429-V464 HydrophobicContact CD2-CG1 3.86Å; L429-V464 HydrophobicContact CG-CG1 3.7Å; L429-F467 HydrophobicContact CD2-CB 4.45Å; L429-K468 HydrophobicContact CD1-CG 4.3Å
430	D	88.2	Confident	88.6	Confident	62 Å²	62	52.5 Å²	52.5	33%	0.332	30%	0.301	S	S	.	.			trans	-69.7	126	179.2	-167.8	-44.9	0	0	0	109.7	M398 R428 T432 L433	M398-D430 HydrophobicContact CE-CB 4.27Å; M398-D430 HydrophobicContact SD-CB 4.44Å; R428-D430 PolarHBondContact O-N 3.33Å; D430-T432 PolarHBondContact O-N 3.45Å; D430-T432 WeakPolarHBondContact OD1-CB 3.47Å; D430-T432 WeakPolarHBondContact OD1-CG2 3.32Å; D430-T432 PolarHBondContact OD1-N 3.33Å; D430-T432 PolarHBondContact OD1-OG1 2.9Å; D430-L433 HydrophobicContact CB-CD1 4.32Å; D430-L433 HydrophobicContact CB-CG 4.15Å; D430-L433 WeakPolarHBondContact O-CB 3.22Å; D430-L433 WeakPolarHBondContact O-CG 3.08Å; D430-L433 PolarHBondContact O-N 2.87Å
431	P	84.2	Confident	87.4	Confident	120 Å²	120	53.9 Å²	53.9	78%	0.779	31%	0.311	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.3	-14.4	177.4	-24.4	33.9	0	0	0	114.7
432	T	87.6	Confident	85.8	Confident	117 Å²	117	54.9 Å²	54.9	72%	0.718	32%	0.324	S	S	*	.	T	Hydrogen-bonded Turn	trans	-84.1	-10	176.5	63.2	0	0	0	0	114	D430 S434	D430-T432 PolarHBondContact O-N 3.45Å; D430-T432 WeakPolarHBondContact OD1-CB 3.47Å; D430-T432 WeakPolarHBondContact OD1-CG2 3.32Å; D430-T432 PolarHBondContact OD1-N 3.33Å; D430-T432 PolarHBondContact OD1-OG1 2.9Å; T432-S434 PolarHBondContact O-N 2.81Å
433	L	85.3	Confident	85.2	Confident	60 Å²	60	57 Å²	57	31%	0.314	33%	0.333	S	S	.	.			trans	-65	129.1	176.9	-71.1	168.8	0	0	0	110.8	L427 R428 D430 D437 L438	L427-L433 HydrophobicContact CD1-CD1 4.04Å; L427-L433 HydrophobicContact CG-CD1 4.36Å; R428-L433 VanDerWaalsContact O-CD1 3.28Å; R428-L433 WeakPolarHBondContact O-CD1 3.45Å; D430-L433 HydrophobicContact CB-CD1 4.32Å; D430-L433 HydrophobicContact CB-CG 4.15Å; D430-L433 WeakPolarHBondContact O-CB 3.22Å; D430-L433 WeakPolarHBondContact O-CG 3.08Å; D430-L433 PolarHBondContact O-N 2.87Å; L433-D437 HydrophobicContact CD2-CB 4.03Å; L433-L438 HydrophobicContact CB-CD1 3.43Å; L433-L438 VanDerWaalsContact CB-CD1 3.43Å; L433-L438 HydrophobicContact CD1-CD1 3.83Å; L433-L438 HydrophobicContact CG-CD1 4.14Å
434	S	86.1	Confident	84.7	Confident	50 Å²	50	58.8 Å²	58.8	35%	0.35	34%	0.344	S	S	.	.			trans	-78.6	160.6	173.2	70.7	0	0	0	0	111.3	T432 D436 D437 L438	T432-S434 PolarHBondContact O-N 2.81Å; S434-D436 PolarHBondContact O-N 2.85Å; S434-D437 WeakPolarHBondContact CB-OD2 3.26Å; S434-D437 PolarHBondContact N-OD2 3.43Å; S434-D437 WeakPolarHBondContact O-CB 3.45Å; S434-D437 PolarHBondContact O-N 3.09Å; S434-D437 VanDerWaalsContact O-N 3.12Å; S434-D437 PolarHBondContact OG-N 3.12Å; S434-D437 VanDerWaalsContact OG-N 3.08Å; S434-D437 PolarHBondContact OG-OD2 3.23Å; S434-L438 WeakPolarHBondContact O-CD1 3.33Å; S434-L438 PolarHBondContact O-N 3.27Å; S434-L438 VanDerWaalsContact O-N 3.09Å
435	V	84.3	Confident	84.7	Confident	75 Å²	75	59.4 Å²	59.4	46%	0.455	35%	0.35	S	S	.	.	H	α-helix	trans	-57.8	-35.1	172.2	176.5	0	0	0	0	110.9	L438 A439 L461	V435-L438 PolarHBondContact O-N 3.24Å; V435-A439 WeakPolarHBondContact O-CB 3.3Å; V435-A439 PolarHBondContact O-N 2.75Å; V435-L461 HydrophobicContact CG1-CB 3.97Å; V435-L461 HydrophobicContact CG1-CD1 4.12Å
436	D	83.6	Confident	84.8	Confident	113 Å²	113	60.2 Å²	60.2	60%	0.604	36%	0.356	S	S	*	.	H	α-helix	trans	-67.1	-40	176.8	-64.9	-26.6	0	0	0	111.6	S434 L438 A439 N440	S434-D436 PolarHBondContact O-N 2.85Å; D436-L438 VanDerWaalsContact C-N 3.32Å; D436-L438 PolarHBondContact O-N 3.39Å; D436-A439 PolarHBondContact O-N 3.38Å; D436-N440 VanDerWaalsContact O-CB 3.22Å; D436-N440 WeakPolarHBondContact O-CB 3.36Å; D436-N440 PolarHBondContact O-N 3.14Å; D436-N440 PolarHBondContact O-ND2 3.12Å
437	D	84.6	Confident	84.9	Confident	82 Å²	82	60.5 Å²	60.5	44%	0.439	36%	0.359	S	S	.	.	H	α-helix	trans	-61.9	-42.4	174.7	-61.8	-49.3	0	0	0	111.1	L433 S434 S441	L433-D437 HydrophobicContact CD2-CB 4.03Å; S434-D437 WeakPolarHBondContact CB-OD2 3.26Å; S434-D437 PolarHBondContact N-OD2 3.43Å; S434-D437 WeakPolarHBondContact O-CB 3.45Å; S434-D437 PolarHBondContact O-N 3.09Å; S434-D437 VanDerWaalsContact O-N 3.12Å; S434-D437 PolarHBondContact OG-N 3.12Å; S434-D437 VanDerWaalsContact OG-N 3.08Å; S434-D437 PolarHBondContact OG-OD2 3.23Å; D437-S441 PolarHBondContact O-N 3.31Å
438	L	83	Confident	85.1	Confident	14 Å²	14	59.8 Å²	59.8	7%	0.073	36%	0.355	C	S	.	.	H	α-helix	trans	-64.7	-43.6	176.1	-95.1	65.6	0	0	0	111.8	L433 S434 V435 D436 S441 L461 F467	L433-L438 HydrophobicContact CB-CD1 3.43Å; L433-L438 VanDerWaalsContact CB-CD1 3.43Å; L433-L438 HydrophobicContact CD1-CD1 3.83Å; L433-L438 HydrophobicContact CG-CD1 4.14Å; S434-L438 WeakPolarHBondContact O-CD1 3.33Å; S434-L438 PolarHBondContact O-N 3.27Å; S434-L438 VanDerWaalsContact O-N 3.09Å; V435-L438 PolarHBondContact O-N 3.24Å; D436-L438 VanDerWaalsContact C-N 3.32Å; D436-L438 PolarHBondContact O-N 3.39Å; L438-S441 WeakPolarHBondContact O-CB 3.21Å; L438-S441 PolarHBondContact O-N 2.95Å; L438-S441 PolarHBondContact O-OG 3.36Å; L438-L461 HydrophobicContact CB-CB 4.49Å; L438-L461 HydrophobicContact CB-CD2 4.33Å; L438-L461 HydrophobicContact CD2-CB 4.44Å; L438-L461 WeakPolarHBondContact CD2-O 3.04Å; L438-F467 HydrophobicContact CB-CZ 4.13Å; L438-F467 HydrophobicContact CD2-CD2 4.46Å; L438-F467 HydrophobicContact CD2-CE2 3.38Å; L438-F467 HydrophobicContact CD2-CZ 3.6Å; L438-F467 HydrophobicContact CG-CE2 3.99Å; L438-F467 HydrophobicContact CG-CZ 3.69Å
439	A	79.6	Confident	85.3	Confident	51 Å²	51	55.8 Å²	55.8	42%	0.421	34%	0.34	S	S	.	.	H	α-helix	trans	-64.9	-44.3	177.6	0	0	0	0	0	111.7	V435 D436 S441 G442 L461	V435-A439 WeakPolarHBondContact O-CB 3.3Å; V435-A439 PolarHBondContact O-N 2.75Å; D436-A439 PolarHBondContact O-N 3.38Å; A439-S441 PolarHBondContact O-N 2.96Å; A439-G442 PolarHBondContact O-N 3.46Å; A439-G442 VanDerWaalsContact O-N 3.12Å; A439-L461 HydrophobicContact CB-CD1 3.68Å
440	N	77.4	Confident	85.6	Confident	133 Å²	133	56 Å²	56	71%	0.711	34%	0.34	S	S	*	.	H	α-helix	trans	-68.3	-20.7	178.2	-70.7	-33.6	0	0	0	112.7	D436 G442	D436-N440 VanDerWaalsContact O-CB 3.22Å; D436-N440 WeakPolarHBondContact O-CB 3.36Å; D436-N440 PolarHBondContact O-N 3.14Å; D436-N440 PolarHBondContact O-ND2 3.12Å; N440-G442 PolarHBondContact O-N 3.09Å; N440-G442 VanDerWaalsContact O-N 3.14Å
441	S	73.1	Confident	86.1	Confident	30 Å²	30	53 Å²	53	21%	0.21	32%	0.324	C	S	.	.	T	Hydrogen-bonded Turn	trans	-64.9	-11.3	172.6	87.4	0	0	0	0	113.3	R403 D437 L438 A439 V444	R403-S441 PolarHBondContact NH1-OG 2.87Å; R403-S441 PolarHBondContact NH2-O 2.92Å; R403-S441 PolarHBondContact NH2-OG 3.33Å; D437-S441 PolarHBondContact O-N 3.31Å; L438-S441 WeakPolarHBondContact O-CB 3.21Å; L438-S441 PolarHBondContact O-N 2.95Å; L438-S441 PolarHBondContact O-OG 3.36Å; A439-S441 PolarHBondContact O-N 2.96Å; S441-V444 VanDerWaalsContact O-CG1 3.28Å; S441-V444 WeakPolarHBondContact O-CG1 3.29Å
442	G	64.1	Low	86.7	Confident	37 Å²	37	47.3 Å²	47.3	38%	0.381	29%	0.288	S	S	.	.			trans	72.2	171.2	162.8	0	0	0	0	0	116.7	R403 A439 N440 V444	R403-G442 PolarHBondContact NH2-O 3.32Å; A439-G442 PolarHBondContact O-N 3.46Å; A439-G442 VanDerWaalsContact O-N 3.12Å; N440-G442 PolarHBondContact O-N 3.09Å; N440-G442 VanDerWaalsContact O-N 3.14Å; G442-V444 VanDerWaalsContact C-N 3.27Å; G442-V444 PolarHBondContact O-N 3.01Å
443	Q	79.6	Confident	87	Confident	72 Å²	72	42.6 Å²	42.6	34%	0.336	26%	0.257	S	S	.	.	S	Bend	trans	-78.2	77.5	168.5	-169.8	179.6	-8.7	0	0	109.6	M450 V454 S457 V509	Q443-M450 HydrophobicContact CG-CE 3.91Å; Q443-M450 HydrophobicContact CG-SD 3.97Å; Q443-M450 PolarHBondContact NE2-SD 3.43Å; Q443-M450 VanDerWaalsContact NE2-SD 3.44Å; Q443-V454 HydrophobicContact CG-CG1 3.83Å; Q443-V454 PolarHBondContact NE2-O 2.98Å; Q443-V454 VanDerWaalsContact NE2-O 3.15Å; Q443-S457 PolarHBondContact OE1-OG 2.65Å; Q443-V509 VanDerWaalsContact NE2-CG1 3.25Å
444	V	85.2	Confident	87.5	Confident	39 Å²	39	40.5 Å²	40.5	24%	0.236	25%	0.247	C	C	.	.			trans	-98.8	165.8	179.9	-54.2	0	0	0	0	111.8	R403 L425 S441 G442 M450	R403-V444 HydrophobicContact CB-CG2 4.47Å; R403-V444 VanDerWaalsContact NH2-CG2 3.26Å; L425-V444 HydrophobicContact CB-CG2 4.34Å; L425-V444 HydrophobicContact CD1-CB 4.29Å; L425-V444 HydrophobicContact CD1-CG2 4.45Å; L425-V444 HydrophobicContact CD2-CB 4.22Å; L425-V444 HydrophobicContact CD2-CG2 4.39Å; S441-V444 VanDerWaalsContact O-CG1 3.28Å; S441-V444 WeakPolarHBondContact O-CG1 3.29Å; G442-V444 VanDerWaalsContact C-N 3.27Å; G442-V444 PolarHBondContact O-N 3.01Å; V444-M450 WeakPolarHBondContact O-CE 3.43Å
445	G	89.6	Confident	87.9	Confident	21 Å²	21	38.1 Å²	38.1	22%	0.216	23%	0.23	C	C	.	.	S	Bend	trans	105.3	-176.3	-178.8	0	0	0	0	0	112.4	D404 M450	D404-G445 WeakPolarHBondContact OD1-CA 3.46Å; G445-M450 WeakPolarHBondContact O-CE 3.14Å
446	T	93.4	Very high	88.2	Confident	44 Å²	44	38 Å²	38	27%	0.27	23%	0.225	S	C	.	.			trans	-87.9	117.5	-177.2	-56.8	0	0	0	0	110.6	D404 K406 R448 Y449 M450	D404-T446 VanDerWaalsContact OD1-CB 3.32Å; D404-T446 WeakPolarHBondContact OD1-CB 3.48Å; D404-T446 PolarHBondContact OD1-N 2.85Å; D404-T446 PolarHBondContact OD1-OG1 3.09Å; K406-T446 HydrophobicContact CD-CG2 4.35Å; K406-T446 WeakPolarHBondContact CD-OG1 3.23Å; K406-T446 PolarHBondContact NZ-OG1 3.39Å; T446-R448 HydrophobicContact CG2-CB 4.42Å; T446-R448 PolarHBondContact O-N 3.26Å; T446-Y449 HydrophobicContact CG2-CD2 3.97Å; T446-Y449 HydrophobicContact CG2-CE2 4.46Å; T446-Y449 PolarHBondContact O-N 2.83Å; T446-M450 PolarHBondContact O-N 3.44Å
447	A	95.6	Very high	88.4	Confident	16 Å²	16	36.8 Å²	36.8	13%	0.132	23%	0.225	C	C	.	.	G	3₁₀ helix	trans	-48.2	-38.6	-174.3	0	0	0	0	0	114.5	Y449 M450 V509 M512	A447-Y449 PolarHBondContact O-N 3.18Å; A447-M450 PolarHBondContact O-N 3.49Å; A447-V509 HydrophobicContact CB-CG2 4.3Å; A447-M512 HydrophobicContact CB-CG 4.2Å; A447-M512 WeakPolarHBondContact O-CG 3.48Å
448	R	97.7	Very high	88.5	Confident	13 Å²	13	41.2 Å²	41.2	5%	0.049	24%	0.236	C	C	.	.	G	3₁₀ helix	trans	-58.4	-31.4	179.1	-173.2	-178.6	-65.1	-75.9	-0.8	113.7	T446 P498 R504 E505 P507 M512	T446-R448 HydrophobicContact CG2-CB 4.42Å; T446-R448 PolarHBondContact O-N 3.26Å; R448-P498 WeakPolarHBondContact CD-O 3Å; R448-P498 WeakPolarHBondContact CG-O 3.45Å; R448-P498 PolarHBondContact NH1-O 3.03Å; R448-R504 PolarHBondContact NH2-O 2.88Å; R448-E505 PolarHBondContact NH2-O 2.84Å; R448-P507 HydrophobicContact CB-CG 3.97Å; R448-M512 WeakPolarHBondContact O-CE 3.29Å
449	Y	98.3	Very high	88.7	Confident	12 Å²	12	42.5 Å²	42.5	5%	0.047	24%	0.242	C	C	.	.	G	3₁₀ helix	trans	-104.1	-3.8	-175.1	-64.4	-93.8	0	0	0	112.9	K406 S407 T446 A447 A451 Y473 S474 L477 V478 E481 P498	K406-Y449 HydrophobicContact CB-CD1 4.02Å; K406-Y449 HydrophobicContact CB-CD2 3.66Å; K406-Y449 HydrophobicContact CB-CE1 3.89Å; K406-Y449 HydrophobicContact CB-CE2 3.51Å; K406-Y449 HydrophobicContact CB-CG 3.92Å; S407-Y449 PolarHBondContact OG-OH 2.98Å; T446-Y449 HydrophobicContact CG2-CD2 3.97Å; T446-Y449 HydrophobicContact CG2-CE2 4.46Å; T446-Y449 PolarHBondContact O-N 2.83Å; A447-Y449 PolarHBondContact O-N 3.18Å; Y449-A451 PolarHBondContact O-N 2.83Å; Y449-Y473 WeakPolarHBondContact O-CD1 3.17Å; Y449-S474 PolarHBondContact O-OG 3.38Å; Y449-S474 VanDerWaalsContact O-OG 3.11Å; Y449-L477 HydrophobicContact CD1-CB 4.04Å; Y449-L477 HydrophobicContact CD1-CD1 3.92Å; Y449-L477 HydrophobicContact CE1-CB 4.24Å; Y449-L477 HydrophobicContact CG-CD1 4.42Å; Y449-V478 HydrophobicContact CE1-CG2 4.26Å; Y449-E481 WeakPolarHBondContact CE1-OE1 3.38Å; Y449-E481 PolarHBondContact OH-OE1 2.99Å; Y449-P498 HydrophobicContact CE1-CG 3.92Å
450	M	97.6	Very high	89	Confident	14 Å²	14	44 Å²	44	7%	0.069	24%	0.243	C	C	.	.			trans	-63	133.7	-179.2	-73.7	179.6	174.3	0	0	111.7	Q443 V444 G445 T446 A447 V454 L455 Y473 V509	Q443-M450 HydrophobicContact CG-CE 3.91Å; Q443-M450 HydrophobicContact CG-SD 3.97Å; Q443-M450 PolarHBondContact NE2-SD 3.43Å; Q443-M450 VanDerWaalsContact NE2-SD 3.44Å; V444-M450 WeakPolarHBondContact O-CE 3.43Å; G445-M450 WeakPolarHBondContact O-CE 3.14Å; T446-M450 PolarHBondContact O-N 3.44Å; A447-M450 PolarHBondContact O-N 3.49Å; M450-V454 HydrophobicContact CB-CB 4.28Å; M450-V454 HydrophobicContact CB-CG1 4.1Å; M450-V454 HydrophobicContact CG-CG1 3.93Å; M450-V454 HydrophobicContact SD-CG1 4Å; M450-L455 HydrophobicContact CB-CD2 3.72Å; M450-L455 HydrophobicContact CB-CG 3.79Å; M450-L455 HydrophobicContact CG-CD2 4.45Å; M450-L455 HydrophobicContact SD-CD2 3.94Å; M450-Y473 WeakPolarHBondContact O-CE1 3.41Å; M450-V509 HydrophobicContact SD-CG2 4.22Å
451	A	97.4	Very high	89.4	Confident	0 Å²	0	40 Å²	40	0%	0	22%	0.221	C	C	.	.			trans	-65.1	155.2	173.7	0	0	0	0	0	111.8	Y449 E453 V454 L455 T470 Y473	Y449-A451 PolarHBondContact O-N 2.83Å; A451-E453 VanDerWaalsContact C-N 3.33Å; A451-E453 VanDerWaalsContact CB-OE1 3.28Å; A451-E453 WeakPolarHBondContact CB-OE1 3.47Å; A451-E453 PolarHBondContact O-N 2.79Å; A451-V454 HydrophobicContact CB-CG2 4.04Å; A451-V454 WeakPolarHBondContact O-CB 3.42Å; A451-V454 PolarHBondContact O-N 2.86Å; A451-L455 PolarHBondContact O-N 2.85Å; A451-T470 HydrophobicContact CB-CG2 4.3Å; A451-Y473 VanDerWaalsContact CA-CD1 3.46Å; A451-Y473 HydrophobicContact CB-CD1 3.85Å; A451-Y473 HydrophobicContact CB-CD2 4.41Å; A451-Y473 HydrophobicContact CB-CG 3.76Å
452	P	96.9	Very high	89.8	Confident	1 Å²	1	46.6 Å²	46.6	1%	0.006	25%	0.249	C	C	.	.	H	α-helix	trans	-47.2	-50.3	178.8	-29.6	34.8	0	0	0	114.1	V454 L455 E456 Y473 V516 L517	P452-V454 VanDerWaalsContact C-N 3.29Å; P452-V454 PolarHBondContact O-N 3.01Å; P452-L455 WeakPolarHBondContact O-CB 3.44Å; P452-L455 PolarHBondContact O-N 2.92Å; P452-L455 VanDerWaalsContact O-N 3.17Å; P452-E456 PolarHBondContact O-N 2.81Å; P452-Y473 HydrophobicContact CG-CD2 4.48Å; P452-Y473 HydrophobicContact CG-CE2 4.09Å; P452-V516 HydrophobicContact CB-CG1 4.39Å; P452-V516 HydrophobicContact CG-CG1 3.83Å; P452-L517 HydrophobicContact CB-CD2 3.59Å
453	E	95.2	Very high	90.8	Very high	18 Å²	18	47.6 Å²	47.6	8%	0.084	25%	0.245	C	C	.	.	H	α-helix	trans	-67.6	-27.8	-178.8	66.5	-78.9	-173.8	0	0	113.2	A451 S457 R458 M459 R553	A451-E453 VanDerWaalsContact C-N 3.33Å; A451-E453 VanDerWaalsContact CB-OE1 3.28Å; A451-E453 WeakPolarHBondContact CB-OE1 3.47Å; A451-E453 PolarHBondContact O-N 2.79Å; E453-S457 PolarHBondContact O-N 3.44Å; E453-R458 PolarHBondContact O-N 2.88Å; E453-M459 HydrophobicContact CG-CG 4.06Å; E453-R553 IonicContact OE1-CZ 2.72Å; E453-R553 IonicContact OE1-NH1 3.46Å; E453-R553 PolarHBondContact OE1-NH1 2.9Å; E453-R553 IonicContact OE1-NH2 3.48Å; E453-R553 PolarHBondContact OE1-NH2 3.06Å; E453-R553 IonicContact OE2-CZ 3.27Å; E453-R553 IonicContact OE2-NH1 2.62Å; E453-R553 IonicContact OE2-NH2 2.81Å; E453-R553 PolarHBondContact OE2-NH2 2.99Å
454	V	94.6	Very high	90.9	Very high	15 Å²	15	47.2 Å²	47.2	9%	0.091	25%	0.247	C	C	.	.	H	α-helix	trans	-71.7	-45.4	171.9	179.5	0	0	0	0	109.4	Q443 M450 A451 P452 E456 S457 M459 T470	Q443-V454 HydrophobicContact CG-CG1 3.83Å; Q443-V454 PolarHBondContact NE2-O 2.98Å; Q443-V454 VanDerWaalsContact NE2-O 3.15Å; M450-V454 HydrophobicContact CB-CB 4.28Å; M450-V454 HydrophobicContact CB-CG1 4.1Å; M450-V454 HydrophobicContact CG-CG1 3.93Å; M450-V454 HydrophobicContact SD-CG1 4Å; A451-V454 HydrophobicContact CB-CG2 4.04Å; A451-V454 WeakPolarHBondContact O-CB 3.42Å; A451-V454 PolarHBondContact O-N 2.86Å; P452-V454 VanDerWaalsContact C-N 3.29Å; P452-V454 PolarHBondContact O-N 3.01Å; V454-E456 VanDerWaalsContact C-N 3.31Å; V454-E456 PolarHBondContact O-N 3.33Å; V454-S457 PolarHBondContact O-N 2.86Å; V454-S457 VanDerWaalsContact O-N 3.12Å; V454-M459 HydrophobicContact CG2-CG 4.23Å; V454-M459 HydrophobicContact CG2-SD 3.68Å; V454-T470 HydrophobicContact CG2-CG2 3.42Å; V454-T470 VanDerWaalsContact CG2-CG2 3.42Å
455	L	94.3	Very high	91.2	Very high	0 Å²	0	48.2 Å²	48.2	0%	0	25%	0.249	C	C	.	.	H	α-helix	trans	-61.1	-39.4	177.7	-70.6	172.5	0	0	0	111.7	M450 A451 P452 S457 V509 M512 K513 V516 L517	M450-L455 HydrophobicContact CB-CD2 3.72Å; M450-L455 HydrophobicContact CB-CG 3.79Å; M450-L455 HydrophobicContact CG-CD2 4.45Å; M450-L455 HydrophobicContact SD-CD2 3.94Å; A451-L455 PolarHBondContact O-N 2.85Å; P452-L455 WeakPolarHBondContact O-CB 3.44Å; P452-L455 PolarHBondContact O-N 2.92Å; P452-L455 VanDerWaalsContact O-N 3.17Å; L455-S457 VanDerWaalsContact C-N 3.29Å; L455-V509 HydrophobicContact CD2-CG1 3.98Å; L455-M512 HydrophobicContact CD1-CB 4.03Å; L455-M512 HydrophobicContact CD2-CB 3.8Å; L455-K513 HydrophobicContact CB-CG 4Å; L455-K513 WeakPolarHBondContact O-CE 3.45Å; L455-V516 HydrophobicContact CD1-CB 3.79Å; L455-V516 HydrophobicContact CD1-CG1 3.95Å; L455-V516 HydrophobicContact CD1-CG2 4.14Å; L455-L517 HydrophobicContact CB-CD1 3.98Å; L455-L517 HydrophobicContact CB-CG 4.5Å
456	E	91	Very high	91.2	Very high	73 Å²	73	47.5 Å²	47.5	34%	0.341	24%	0.241	S	C	.	.	T	Hydrogen-bonded Turn	trans	-81	-6	177.6	-152.2	-179.5	-172.9	0	0	113.6	P452 V454 R458 L517	P452-E456 PolarHBondContact O-N 2.81Å; V454-E456 VanDerWaalsContact C-N 3.31Å; V454-E456 PolarHBondContact O-N 3.33Å; E456-R458 HydrophobicContact CB-CB 4.39Å; E456-R458 HydrophobicContact CB-CG 4.09Å; E456-R458 VanDerWaalsContact CD-CD 3.43Å; E456-R458 VanDerWaalsContact CD-NE 3.27Å; E456-R458 HydrophobicContact CG-CG 3.91Å; E456-R458 PolarHBondContact O-N 3.49Å; E456-R458 IonicContact OE1-CZ 2.79Å; E456-R458 IonicContact OE1-NE 3.52Å; E456-R458 PolarHBondContact OE1-NE 3.38Å; E456-R458 VanDerWaalsContact OE1-NE 3.12Å; E456-R458 IonicContact OE1-NH1 2.79Å; E456-R458 PolarHBondContact OE1-NH1 2.67Å; E456-R458 IonicContact OE1-NH2 2.87Å; E456-R458 PolarHBondContact OE1-NH2 2.73Å; E456-R458 VanDerWaalsContact OE1-NH2 3.14Å; E456-R458 WeakPolarHBondContact OE2-CD 3.12Å; E456-R458 IonicContact OE2-NE 3.17Å; E456-L517 HydrophobicContact CB-CD1 3.89Å; E456-L517 HydrophobicContact CG-CD1 4.3Å
457	S	88.9	Confident	91.2	Very high	87 Å²	87	45.5 Å²	45.5	61%	0.608	23%	0.229	S	C	*	.	T	Hydrogen-bonded Turn	trans	56	36.4	-172.3	-45.9	0	0	0	0	112.8	Q443 E453 V454 L455	Q443-S457 PolarHBondContact OE1-OG 2.65Å; E453-S457 PolarHBondContact O-N 3.44Å; V454-S457 PolarHBondContact O-N 2.86Å; V454-S457 VanDerWaalsContact O-N 3.12Å; L455-S457 VanDerWaalsContact C-N 3.29Å
458	R	86.3	Confident	91.3	Very high	176 Å²	176	46.2 Å²	46.2	66%	0.664	23%	0.229	S	C	*	.			trans	-117.3	34	-178.5	-64	-165.5	-173.1	-179.6	5.2	113.1	E453 E456	E453-R458 PolarHBondContact O-N 2.88Å; E456-R458 HydrophobicContact CB-CB 4.39Å; E456-R458 HydrophobicContact CB-CG 4.09Å; E456-R458 VanDerWaalsContact CD-CD 3.43Å; E456-R458 VanDerWaalsContact CD-NE 3.27Å; E456-R458 HydrophobicContact CG-CG 3.91Å; E456-R458 PolarHBondContact O-N 3.49Å; E456-R458 IonicContact OE1-CZ 2.79Å; E456-R458 IonicContact OE1-NE 3.52Å; E456-R458 PolarHBondContact OE1-NE 3.38Å; E456-R458 VanDerWaalsContact OE1-NE 3.12Å; E456-R458 IonicContact OE1-NH1 2.79Å; E456-R458 PolarHBondContact OE1-NH1 2.67Å; E456-R458 IonicContact OE1-NH2 2.87Å; E456-R458 PolarHBondContact OE1-NH2 2.73Å; E456-R458 VanDerWaalsContact OE1-NH2 3.14Å; E456-R458 WeakPolarHBondContact OE2-CD 3.12Å; E456-R458 IonicContact OE2-NE 3.17Å
459	M	87.4	Confident	91.3	Very high	40 Å²	40	46.3 Å²	46.3	20%	0.197	23%	0.23	C	C	.	.			trans	-65.5	138.2	173.6	-69.2	-173.9	67.8	0	0	110.9	E453 V454 L461 F467 T470	E453-M459 HydrophobicContact CG-CG 4.06Å; V454-M459 HydrophobicContact CG2-CG 4.23Å; V454-M459 HydrophobicContact CG2-SD 3.68Å; M459-L461 HydrophobicContact CB-CD2 4.11Å; M459-L461 PolarHBondContact O-N 2.77Å; M459-L461 VanDerWaalsContact O-N 3.12Å; M459-F467 HydrophobicContact CE-CB 4.45Å; M459-F467 HydrophobicContact CE-CD1 3.63Å; M459-F467 HydrophobicContact CE-CD2 4.28Å; M459-F467 HydrophobicContact CE-CE1 3.82Å; M459-F467 HydrophobicContact CE-CE2 4.41Å; M459-F467 HydrophobicContact CE-CG 3.88Å; M459-F467 HydrophobicContact CE-CZ 4.21Å; M459-T470 HydrophobicContact CE-CG2 3.53Å; M459-T470 HydrophobicContact SD-CG2 4.13Å
460	N	85.3	Confident	91.2	Very high	84 Å²	84	46.2 Å²	46.2	45%	0.449	23%	0.231	S	C	.	.			trans	-77.7	95	172.3	-178.1	0.5	0	0	0	110.3	E462 N463 S466	N460-E462 PolarHBondContact O-N 3.47Å; N460-E462 WeakPolarHBondContact OD1-CB 3.44Å; N460-E462 PolarHBondContact OD1-N 2.79Å; N460-E462 VanDerWaalsContact OD1-N 3.08Å; N460-N463 PolarHBondContact O-N 3.27Å; N460-N463 VanDerWaalsContact O-O 3.07Å; N460-S466 WeakPolarHBondContact O-CB 3.32Å; N460-S466 PolarHBondContact O-OG 3.24Å
461	L	85.2	Confident	91.3	Very high	47 Å²	47	45.6 Å²	45.6	25%	0.246	23%	0.227	C	C	.	.	T	Hydrogen-bonded Turn	trans	-71	-12.9	-177.6	-53.4	-178.5	0	0	0	113.8	V435 L438 A439 M459 F467	V435-L461 HydrophobicContact CG1-CB 3.97Å; V435-L461 HydrophobicContact CG1-CD1 4.12Å; L438-L461 HydrophobicContact CB-CB 4.49Å; L438-L461 HydrophobicContact CB-CD2 4.33Å; L438-L461 HydrophobicContact CD2-CB 4.44Å; L438-L461 WeakPolarHBondContact CD2-O 3.04Å; A439-L461 HydrophobicContact CB-CD1 3.68Å; M459-L461 HydrophobicContact CB-CD2 4.11Å; M459-L461 PolarHBondContact O-N 2.77Å; M459-L461 VanDerWaalsContact O-N 3.12Å; L461-F467 HydrophobicContact CD2-CE2 4.32Å; L461-F467 HydrophobicContact CD2-CZ 3.81Å
462	E	82.9	Confident	91.4	Very high	170 Å²	170	45.7 Å²	45.7	79%	0.794	23%	0.228	S	C	*	.	T	Hydrogen-bonded Turn	trans	-79.2	-26	175	-59	-174.4	165.2	0	0	112	N460	N460-E462 PolarHBondContact O-N 3.47Å; N460-E462 WeakPolarHBondContact OD1-CB 3.44Å; N460-E462 PolarHBondContact OD1-N 2.79Å; N460-E462 VanDerWaalsContact OD1-N 3.08Å
463	N	85.1	Confident	91.4	Very high	57 Å²	57	45.7 Å²	45.7	31%	0.305	23%	0.228	S	C	.	.			trans	-104.8	110.1	178	-173.4	5.5	0	0	0	110.4	N460 E465 S466	N460-N463 PolarHBondContact O-N 3.27Å; N460-N463 VanDerWaalsContact O-O 3.07Å; N463-E465 PolarHBondContact O-N 3.38Å; N463-E465 VanDerWaalsContact OD1-CB 3.26Å; N463-E465 WeakPolarHBondContact OD1-CB 3.16Å; N463-E465 PolarHBondContact OD1-N 2.99Å; N463-S466 WeakPolarHBondContact O-CB 3.1Å; N463-S466 PolarHBondContact O-N 3.33Å; N463-S466 PolarHBondContact O-OG 3.25Å
464	V	82	Confident	91.6	Very high	64 Å²	64	45.2 Å²	45.2	39%	0.388	23%	0.227	S	C	.	.	T	Hydrogen-bonded Turn	trans	-57.5	-29	175.7	170.7	0	0	0	0	112.6	L429 S466 F467	L429-V464 HydrophobicContact CB-CG1 3.64Å; L429-V464 HydrophobicContact CD1-CG1 3.19Å; L429-V464 HydrophobicContact CD2-CG1 3.86Å; L429-V464 HydrophobicContact CG-CG1 3.7Å; V464-S466 PolarHBondContact O-N 3.19Å; V464-F467 PolarHBondContact O-N 2.83Å
465	E	89.6	Confident	91.8	Very high	60 Å²	60	44.5 Å²	44.5	28%	0.28	22%	0.223	S	C	.	.	H	α-helix	trans	-62.6	-25.8	177.2	-159.6	59.8	-149.7	0	0	112.2	N463 F467 K468 Q469	N463-E465 PolarHBondContact O-N 3.38Å; N463-E465 VanDerWaalsContact OD1-CB 3.26Å; N463-E465 WeakPolarHBondContact OD1-CB 3.16Å; N463-E465 PolarHBondContact OD1-N 2.99Å; E465-F467 PolarHBondContact O-N 2.93Å; E465-K468 WeakPolarHBondContact O-CB 3.41Å; E465-K468 PolarHBondContact O-N 3.18Å; E465-K468 WeakPolarHBondContact OE1-CD 3.35Å; E465-K468 IonicContact OE1-NZ 3.87Å; E465-K468 WeakPolarHBondContact OE2-CD 3.32Å; E465-K468 IonicContact OE2-NZ 3.8Å; E465-K468 PolarHBondContact OE2-NZ 3.42Å; E465-Q469 WeakPolarHBondContact O-CG 3.18Å; E465-Q469 PolarHBondContact O-N 2.83Å
466	S	90.9	Very high	92	Very high	6 Å²	6	44.5 Å²	44.5	4%	0.042	22%	0.223	C	C	.	.	H	α-helix	trans	-55.4	-37.8	176.6	70.8	0	0	0	0	112.6	N460 N463 V464 Q469 T470	N460-S466 WeakPolarHBondContact O-CB 3.32Å; N460-S466 PolarHBondContact O-OG 3.24Å; N463-S466 WeakPolarHBondContact O-CB 3.1Å; N463-S466 PolarHBondContact O-N 3.33Å; N463-S466 PolarHBondContact O-OG 3.25Å; V464-S466 PolarHBondContact O-N 3.19Å; S466-Q469 VanDerWaalsContact CA-OE1 3.3Å; S466-Q469 PolarHBondContact O-N 3.39Å; S466-T470 WeakPolarHBondContact O-CG2 3.43Å; S466-T470 PolarHBondContact O-N 3.14Å
467	F	92.7	Very high	92.4	Very high	2 Å²	2	41 Å²	41	1%	0.009	21%	0.206	C	C	.	.	H	α-helix	trans	-70.6	-38.4	179	-68.1	-94.8	0	0	0	112	V401 L427 L429 L438 M459 L461 V464 E465 Q469 T470 D471	V401-F467 HydrophobicContact CB-CB 4.19Å; V401-F467 HydrophobicContact CG1-CB 3.77Å; V401-F467 HydrophobicContact CG2-CB 3.94Å; L427-F467 HydrophobicContact CD2-CD1 4.39Å; L427-F467 HydrophobicContact CD2-CE1 4.26Å; L429-F467 HydrophobicContact CD2-CB 4.45Å; L438-F467 HydrophobicContact CB-CZ 4.13Å; L438-F467 HydrophobicContact CD2-CD2 4.46Å; L438-F467 HydrophobicContact CD2-CE2 3.38Å; L438-F467 HydrophobicContact CD2-CZ 3.6Å; L438-F467 HydrophobicContact CG-CE2 3.99Å; L438-F467 HydrophobicContact CG-CZ 3.69Å; M459-F467 HydrophobicContact CE-CB 4.45Å; M459-F467 HydrophobicContact CE-CD1 3.63Å; M459-F467 HydrophobicContact CE-CD2 4.28Å; M459-F467 HydrophobicContact CE-CE1 3.82Å; M459-F467 HydrophobicContact CE-CE2 4.41Å; M459-F467 HydrophobicContact CE-CG 3.88Å; M459-F467 HydrophobicContact CE-CZ 4.21Å; L461-F467 HydrophobicContact CD2-CE2 4.32Å; L461-F467 HydrophobicContact CD2-CZ 3.81Å; V464-F467 PolarHBondContact O-N 2.83Å; E465-F467 PolarHBondContact O-N 2.93Å; F467-Q469 VanDerWaalsContact C-N 3.32Å; F467-T470 PolarHBondContact O-N 3.25Å; F467-T470 PolarHBondContact O-OG1 3.23Å; F467-D471 PolarHBondContact O-N 3.48Å
468	K	97.3	Very high	92.9	Very high	31 Å²	31	36.9 Å²	36.9	14%	0.135	18%	0.177	C	C	.	.	H	α-helix	trans	-66	-37.5	176.5	-64.9	-179.9	-166.7	162.3	0	111.4	H387 V401 L429 E465 T470 D471 V472	H387-K468 HydrophobicContact CB-CD 3.94Å; H387-K468 HydrophobicContact CB-CG 4.34Å; H387-K468 PolarHBondContact CE1-O 3.42Å; H387-K468 WeakPolarHBondContact O-CE 3.29Å; H387-K468 PolarHBondContact O-NZ 2.8Å; V401-K468 HydrophobicContact CG1-CB 4.38Å; V401-K468 HydrophobicContact CG1-CG 3.64Å; L429-K468 HydrophobicContact CD1-CG 4.3Å; E465-K468 WeakPolarHBondContact O-CB 3.41Å; E465-K468 PolarHBondContact O-N 3.18Å; E465-K468 WeakPolarHBondContact OE1-CD 3.35Å; E465-K468 IonicContact OE1-NZ 3.87Å; E465-K468 WeakPolarHBondContact OE2-CD 3.32Å; E465-K468 IonicContact OE2-NZ 3.8Å; E465-K468 PolarHBondContact OE2-NZ 3.42Å; K468-T470 PolarHBondContact O-N 3.16Å; K468-D471 WeakPolarHBondContact O-CB 3.45Å; K468-D471 PolarHBondContact O-N 3.26Å; K468-D471 VanDerWaalsContact O-N 3.14Å; K468-V472 WeakPolarHBondContact O-CG2 3.41Å; K468-V472 PolarHBondContact O-N 3.12Å
469	Q	98	Very high	93.5	Very high	16 Å²	16	28.6 Å²	28.6	8%	0.075	15%	0.146	C	C	.	.	H	α-helix	trans	-62.3	-29.1	176.2	-68	160	-19	0	0	112.1	E465 S466 F467 V472 Y473 P550 E551 R553	E465-Q469 WeakPolarHBondContact O-CG 3.18Å; E465-Q469 PolarHBondContact O-N 2.83Å; S466-Q469 VanDerWaalsContact CA-OE1 3.3Å; S466-Q469 PolarHBondContact O-N 3.39Å; F467-Q469 VanDerWaalsContact C-N 3.32Å; Q469-V472 PolarHBondContact O-N 2.53Å; Q469-Y473 PolarHBondContact O-N 3.27Å; Q469-Y473 VanDerWaalsContact O-N 3.15Å; Q469-P550 HydrophobicContact CB-CB 3.85Å; Q469-P550 VanDerWaalsContact CD-O 3.28Å; Q469-P550 HydrophobicContact CG-CB 4.3Å; Q469-P550 WeakPolarHBondContact CG-O 3.3Å; Q469-P550 PolarHBondContact NE2-O 3.15Å; Q469-E551 VanDerWaalsContact NE2-CD 3.31Å; Q469-E551 PolarHBondContact NE2-OE1 2.94Å; Q469-R553 PolarHBondContact O-NH1 2.9Å
470	T	97.5	Very high	94	Very high	10 Å²	10	27.8 Å²	27.8	6%	0.061	14%	0.141	C	C	.	.	H	α-helix	trans	-69.2	-38.4	173.4	72.7	0	0	0	0	113.2	A451 V454 M459 S466 F467 K468 V472 Y473 S474	A451-T470 HydrophobicContact CB-CG2 4.3Å; V454-T470 HydrophobicContact CG2-CG2 3.42Å; V454-T470 VanDerWaalsContact CG2-CG2 3.42Å; M459-T470 HydrophobicContact CE-CG2 3.53Å; M459-T470 HydrophobicContact SD-CG2 4.13Å; S466-T470 WeakPolarHBondContact O-CG2 3.43Å; S466-T470 PolarHBondContact O-N 3.14Å; F467-T470 PolarHBondContact O-N 3.25Å; F467-T470 PolarHBondContact O-OG1 3.23Å; K468-T470 PolarHBondContact O-N 3.16Å; T470-V472 VanDerWaalsContact C-N 3.33Å; T470-Y473 PolarHBondContact O-N 2.84Å; T470-S474 PolarHBondContact O-N 2.82Å; T470-S474 VanDerWaalsContact O-N 3.15Å; T470-S474 PolarHBondContact O-OG 3.31Å
471	D	98.6	Very high	94.7	Very high	0 Å²	0	23.8 Å²	23.8	0%	0	12%	0.12	C	C	.	.	H	α-helix	trans	-65.3	-39.1	174.2	-84.7	-8.3	0	0	0	110.7	H387 V401 H402 R403 L405 F467 K468 S474 M475	H387-D471 IonicContact CD2-OD2 2.83Å; H387-D471 IonicContact CE1-OD2 3.41Å; H387-D471 WeakPolarHBondContact NE2-CB 3.43Å; H387-D471 IonicContact NE2-OD2 3.53Å; H387-D471 PolarHBondContact NE2-OD2 2.85Å; V401-D471 WeakPolarHBondContact CA-OD2 3.26Å; H402-D471 PolarHBondContact N-OD1 2.98Å; H402-D471 PolarHBondContact N-OD2 3.08Å; R403-D471 PolarHBondContact N-OD1 3.01Å; L405-D471 HydrophobicContact CD1-CB 3.59Å; F467-D471 PolarHBondContact O-N 3.48Å; K468-D471 WeakPolarHBondContact O-CB 3.45Å; K468-D471 PolarHBondContact O-N 3.26Å; K468-D471 VanDerWaalsContact O-N 3.14Å; D471-S474 WeakPolarHBondContact O-CB 3.1Å; D471-S474 PolarHBondContact O-N 2.77Å; D471-M475 WeakPolarHBondContact O-CB 3.34Å; D471-M475 PolarHBondContact O-N 3.46Å
472	V	98.9	Very high	95.3	Very high	3 Å²	3	21.6 Å²	21.6	2%	0.018	11%	0.108	C	C	.	.	H	α-helix	trans	-61.9	-44.5	176.4	171	0	0	0	0	111.5	K468 Q469 T470 S474 M475 A476 C545 R553 L554	K468-V472 WeakPolarHBondContact O-CG2 3.41Å; K468-V472 PolarHBondContact O-N 3.12Å; Q469-V472 PolarHBondContact O-N 2.53Å; T470-V472 VanDerWaalsContact C-N 3.33Å; V472-S474 VanDerWaalsContact C-N 3.28Å; V472-S474 PolarHBondContact O-N 2.74Å; V472-M475 HydrophobicContact CG1-CE 4.32Å; V472-M475 WeakPolarHBondContact O-CB 3.27Å; V472-M475 PolarHBondContact O-N 3.28Å; V472-A476 PolarHBondContact O-N 2.62Å; V472-C545 HydrophobicContact CG1-CB 3.71Å; V472-R553 HydrophobicContact CG1-CB 4.12Å; V472-L554 WeakPolarHBondContact CG1-O 3.47Å
473	Y	98.8	Very high	96.1	Very high	0 Å²	0	13.5 Å²	13.5	0%	0	7%	0.07	C	C	.	.	H	α-helix	trans	-58.1	-44	174.6	177	-86.2	0	0	0	111.2	Y449 M450 A451 P452 Q469 T470 A476 L477 V516 C545 W546	Y449-Y473 WeakPolarHBondContact O-CD1 3.17Å; M450-Y473 WeakPolarHBondContact O-CE1 3.41Å; A451-Y473 VanDerWaalsContact CA-CD1 3.46Å; A451-Y473 HydrophobicContact CB-CD1 3.85Å; A451-Y473 HydrophobicContact CB-CD2 4.41Å; A451-Y473 HydrophobicContact CB-CG 3.76Å; P452-Y473 HydrophobicContact CG-CD2 4.48Å; P452-Y473 HydrophobicContact CG-CE2 4.09Å; Q469-Y473 PolarHBondContact O-N 3.27Å; Q469-Y473 VanDerWaalsContact O-N 3.15Å; T470-Y473 PolarHBondContact O-N 2.84Å; Y473-A476 VanDerWaalsContact O-CB 3.31Å; Y473-A476 WeakPolarHBondContact O-CB 3.36Å; Y473-A476 PolarHBondContact O-N 2.94Å; Y473-L477 HydrophobicContact CD1-CD1 4.25Å; Y473-L477 HydrophobicContact CE1-CD1 3.67Å; Y473-L477 HydrophobicContact CE1-CG 4.23Å; Y473-L477 PolarHBondContact O-N 2.85Å; Y473-V516 WeakPolarHBondContact OH-CG1 3.46Å; Y473-C545 WeakPolarHBondContact CA-O 3.36Å; Y473-W546 HydrophobicContact CD2-CB 3.85Å; Y473-W546 HydrophobicContact CE2-CB 3.83Å
474	S	98.8	Very high	96.7	Very high	8 Å²	8	11.4 Å²	11.4	6%	0.056	6%	0.06	C	C	.	.	H	α-helix	trans	-65.7	-40.3	179.2	-53.7	0	0	0	0	111.5	Y449 T470 D471 V472 A476 L477 V478	Y449-S474 PolarHBondContact O-OG 3.38Å; Y449-S474 VanDerWaalsContact O-OG 3.11Å; T470-S474 PolarHBondContact O-N 2.82Å; T470-S474 VanDerWaalsContact O-N 3.15Å; T470-S474 PolarHBondContact O-OG 3.31Å; D471-S474 WeakPolarHBondContact O-CB 3.1Å; D471-S474 PolarHBondContact O-N 2.77Å; V472-S474 VanDerWaalsContact C-N 3.28Å; V472-S474 PolarHBondContact O-N 2.74Å; S474-A476 VanDerWaalsContact C-N 3.32Å; S474-A476 PolarHBondContact O-N 3.41Å; S474-L477 PolarHBondContact O-N 2.63Å; S474-V478 PolarHBondContact O-N 3.18Å
475	M	98.9	Very high	97.5	Very high	1 Å²	1	9.1 Å²	9.1	1%	0.005	4%	0.044	C	C	.	.	H	α-helix	trans	-59	-41.2	172.8	-179	-178	64.3	0	0	111.8	L379 A380 I383 D471 V472 L477 V478 L479 A556 V559	L379-M475 HydrophobicContact CD2-CG 4.02Å; L379-M475 HydrophobicContact CG-CG 4.19Å; A380-M475 HydrophobicContact CB-SD 4.29Å; I383-M475 HydrophobicContact CD1-CB 3.75Å; I383-M475 HydrophobicContact CD1-CG 3.65Å; I383-M475 HydrophobicContact CD1-SD 3.54Å; I383-M475 VanDerWaalsContact CD1-SD 3.54Å; D471-M475 WeakPolarHBondContact O-CB 3.34Å; D471-M475 PolarHBondContact O-N 3.46Å; V472-M475 HydrophobicContact CG1-CE 4.32Å; V472-M475 WeakPolarHBondContact O-CB 3.27Å; V472-M475 PolarHBondContact O-N 3.28Å; M475-L477 VanDerWaalsContact C-N 3.3Å; M475-L477 PolarHBondContact O-N 2.77Å; M475-V478 PolarHBondContact O-N 3.4Å; M475-V478 VanDerWaalsContact O-N 3.11Å; M475-L479 HydrophobicContact CG-CD1 4.2Å; M475-L479 HydrophobicContact CG-CG 4.31Å; M475-L479 WeakPolarHBondContact O-CG 3.4Å; M475-L479 PolarHBondContact O-N 3.24Å; M475-A556 HydrophobicContact CE-CB 4.47Å; M475-V559 HydrophobicContact CE-CB 4.01Å; M475-V559 HydrophobicContact CE-CG1 4.05Å; M475-V559 HydrophobicContact CE-CG2 3.72Å
476	A	98.9	Very high	98	Very high	0 Å²	0	6.2 Å²	6.2	0%	0	3%	0.031	C	C	.	.	H	α-helix	trans	-58.8	-41.6	178.4	0	0	0	0	0	112.5	V472 Y473 S474 V478 L479 W480 L542 C545 W546	V472-A476 PolarHBondContact O-N 2.62Å; Y473-A476 VanDerWaalsContact O-CB 3.31Å; Y473-A476 WeakPolarHBondContact O-CB 3.36Å; Y473-A476 PolarHBondContact O-N 2.94Å; S474-A476 VanDerWaalsContact C-N 3.32Å; S474-A476 PolarHBondContact O-N 3.41Å; A476-V478 VanDerWaalsContact C-N 3.34Å; A476-L479 PolarHBondContact O-N 2.88Å; A476-W480 PolarHBondContact O-N 2.9Å; A476-L542 HydrophobicContact CB-CB 4.34Å; A476-C545 HydrophobicContact CB-CB 3.54Å; A476-W546 HydrophobicContact CB-CB 3.78Å; A476-W546 HydrophobicContact CB-CE3 4.47Å; A476-W546 HydrophobicContact CB-CG 4.46Å
477	L	98.9	Very high	98.3	Very high	0 Å²	0	10.1 Å²	10.1	0%	0	5%	0.051	C	C	.	.	H	α-helix	trans	-63.8	-40.4	175.5	-62.4	176.6	0	0	0	111.5	Y449 Y473 S474 M475 W480 E481 P498 F499 P523 W546	Y449-L477 HydrophobicContact CD1-CB 4.04Å; Y449-L477 HydrophobicContact CD1-CD1 3.92Å; Y449-L477 HydrophobicContact CE1-CB 4.24Å; Y449-L477 HydrophobicContact CG-CD1 4.42Å; Y473-L477 HydrophobicContact CD1-CD1 4.25Å; Y473-L477 HydrophobicContact CE1-CD1 3.67Å; Y473-L477 HydrophobicContact CE1-CG 4.23Å; Y473-L477 PolarHBondContact O-N 2.85Å; S474-L477 PolarHBondContact O-N 2.63Å; M475-L477 VanDerWaalsContact C-N 3.3Å; M475-L477 PolarHBondContact O-N 2.77Å; L477-W480 WeakPolarHBondContact O-CB 3.38Å; L477-W480 PolarHBondContact O-N 3Å; L477-E481 WeakPolarHBondContact O-CG 3.44Å; L477-E481 PolarHBondContact O-N 2.87Å; L477-P498 HydrophobicContact CB-CB 4.38Å; L477-P498 HydrophobicContact CB-CG 4Å; L477-P498 HydrophobicContact CD2-CB 4.24Å; L477-F499 HydrophobicContact CD1-CE2 4.43Å; L477-F499 HydrophobicContact CD2-CE2 4.08Å; L477-F499 HydrophobicContact CD2-CZ 4.47Å; L477-P523 HydrophobicContact CD2-CG 3.71Å; L477-W546 HydrophobicContact CD2-CE3 3.96Å; L477-W546 HydrophobicContact CD2-CZ3 4.37Å
478	V	98.9	Very high	98.5	Very high	0 Å²	0	11.2 Å²	11.2	0%	0	6%	0.061	C	C	.	.	H	α-helix	trans	-67.6	-39.8	176.2	178.2	0	0	0	0	111.8	L358 L379 I410 Y449 S474 M475 A476 W480 E481 M482	L358-V478 HydrophobicContact CD2-CG1 3.54Å; L379-V478 HydrophobicContact CD2-CB 4.13Å; L379-V478 HydrophobicContact CD2-CG1 3.7Å; I410-V478 HydrophobicContact CD1-CB 4.42Å; I410-V478 HydrophobicContact CD1-CG1 3.71Å; I410-V478 HydrophobicContact CD1-CG2 4.12Å; Y449-V478 HydrophobicContact CE1-CG2 4.26Å; S474-V478 PolarHBondContact O-N 3.18Å; M475-V478 PolarHBondContact O-N 3.4Å; M475-V478 VanDerWaalsContact O-N 3.11Å; A476-V478 VanDerWaalsContact C-N 3.34Å; V478-W480 VanDerWaalsContact C-N 3.26Å; V478-W480 PolarHBondContact O-N 2.94Å; V478-E481 WeakPolarHBondContact O-CB 3.36Å; V478-E481 PolarHBondContact O-N 3.11Å; V478-E481 VanDerWaalsContact O-N 3.14Å; V478-M482 HydrophobicContact CG1-CE 4.04Å; V478-M482 WeakPolarHBondContact O-CG 3.49Å; V478-M482 PolarHBondContact O-N 2.82Å
479	L	98.9	Very high	98.5	Very high	1 Å²	1	10 Å²	10	1%	0.005	6%	0.056	C	C	.	.	H	α-helix	trans	-61.5	-37.3	173.7	-70	175.2	0	0	0	111.2	L379 M475 A476 M482 T483 L542 V559 F563	L379-L479 HydrophobicContact CD2-CD2 4.28Å; M475-L479 HydrophobicContact CG-CD1 4.2Å; M475-L479 HydrophobicContact CG-CG 4.31Å; M475-L479 WeakPolarHBondContact O-CG 3.4Å; M475-L479 PolarHBondContact O-N 3.24Å; A476-L479 PolarHBondContact O-N 2.88Å; L479-M482 HydrophobicContact CD2-SD 4.25Å; L479-M482 PolarHBondContact O-N 3.39Å; L479-T483 WeakPolarHBondContact O-CB 3.27Å; L479-T483 PolarHBondContact O-N 3.37Å; L479-T483 PolarHBondContact O-OG1 3.09Å; L479-L542 HydrophobicContact CB-CB 4.15Å; L479-L542 HydrophobicContact CB-CD2 4.14Å; L479-L542 HydrophobicContact CD1-CB 4.39Å; L479-V559 HydrophobicContact CD1-CG1 4.2Å; L479-F563 HydrophobicContact CD1-CE2 4.28Å; L479-F563 HydrophobicContact CD2-CE2 4.05Å; L479-F563 HydrophobicContact CD2-CZ 3.87Å
480	W	98.9	Very high	98.4	Very high	24 Å²	24	11.7 Å²	11.7	9%	0.091	8%	0.078	C	C	.	.	H	α-helix	trans	-63.9	-43.2	172.1	175	90.6	0	0	0	111.7	A476 L477 V478 M482 T483 S484 P498 P523 E524 W529 L542 W546	A476-W480 PolarHBondContact O-N 2.9Å; L477-W480 WeakPolarHBondContact O-CB 3.38Å; L477-W480 PolarHBondContact O-N 3Å; V478-W480 VanDerWaalsContact C-N 3.26Å; V478-W480 PolarHBondContact O-N 2.94Å; W480-M482 PolarHBondContact O-N 3Å; W480-T483 PolarHBondContact O-N 3.1Å; W480-S484 WeakPolarHBondContact O-CB 3.41Å; W480-S484 PolarHBondContact O-N 3.11Å; W480-P498 HydrophobicContact CE3-CG 4.31Å; W480-P498 HydrophobicContact CZ3-CG 4.42Å; W480-P523 HydrophobicContact CD2-CB 3.36Å; W480-P523 HydrophobicContact CD2-CG 4.11Å; W480-P523 HydrophobicContact CE3-CB 3.84Å; W480-P523 HydrophobicContact CE3-CG 4.25Å; W480-P523 HydrophobicContact CG-CB 3.78Å; W480-P523 HydrophobicContact CG-CG 4.41Å; W480-P523 HydrophobicContact CH2-CB 4.1Å; W480-P523 HydrophobicContact CZ2-CB 3.64Å; W480-P523 HydrophobicContact CZ3-CB 4.19Å; W480-E524 PolarHBondContact NE1-O 3.03Å; W480-W529 AromaticContact NE1-CH2 3.92Å; W480-W529 AromaticContact NE1-CZ3 3.94Å; W480-L542 HydrophobicContact CB-CD1 4.46Å; W480-L542 HydrophobicContact CB-CD2 4.26Å; W480-W546 HydrophobicContact CB-CZ3 4Å; W480-W546 HydrophobicContact CG-CH2 4.46Å; W480-W546 HydrophobicContact CG-CZ3 4.15Å
481	E	98.9	Very high	98.2	Very high	0 Å²	0	19.1 Å²	19.1	0%	0	11%	0.112	C	C	.	.	H	α-helix	trans	-58.2	-46.6	175.7	-69.5	175.8	-95.8	0	0	111.6	L362 S407 Y449 L477 V478 T483 S484 Y495 P498	L362-E481 HydrophobicContact CD1-CB 4.02Å; S407-E481 WeakPolarHBondContact CB-OE1 3.45Å; S407-E481 VanDerWaalsContact CB-OE2 3.3Å; S407-E481 WeakPolarHBondContact CB-OE2 3.33Å; S407-E481 VanDerWaalsContact OG-CD 3.32Å; S407-E481 PolarHBondContact OG-OE1 3.14Å; S407-E481 PolarHBondContact OG-OE2 3.27Å; Y449-E481 WeakPolarHBondContact CE1-OE1 3.38Å; Y449-E481 PolarHBondContact OH-OE1 2.99Å; L477-E481 WeakPolarHBondContact O-CG 3.44Å; L477-E481 PolarHBondContact O-N 2.87Å; V478-E481 WeakPolarHBondContact O-CB 3.36Å; V478-E481 PolarHBondContact O-N 3.11Å; V478-E481 VanDerWaalsContact O-N 3.14Å; E481-T483 PolarHBondContact O-N 3.13Å; E481-S484 PolarHBondContact O-N 3.08Å; E481-S484 PolarHBondContact O-OG 3.44Å; E481-Y495 HydrophobicContact CB-CE2 4.29Å; E481-Y495 HydrophobicContact CG-CE2 4.28Å; E481-Y495 WeakPolarHBondContact OE2-CE2 3.39Å; E481-Y495 PolarHBondContact OE2-OH 2.94Å; E481-P498 HydrophobicContact CG-CG 3.76Å
482	M	98.9	Very high	98.2	Very high	0 Å²	0	20.9 Å²	20.9	0%	0	12%	0.122	C	C	.	.	H	α-helix	trans	-60.1	-46.9	175.8	-63.6	176.3	177.6	0	0	111.2	L358 L362 I367 L372 L375 L379 V478 L479 W480 S484 R485 C486	L358-M482 HydrophobicContact CD1-CE 4.19Å; L358-M482 HydrophobicContact CD2-CE 3.3Å; L358-M482 HydrophobicContact CD2-CG 4.16Å; L358-M482 HydrophobicContact CG-CE 4.39Å; L362-M482 HydrophobicContact CD1-CG 4.24Å; I367-M482 HydrophobicContact CD1-CB 4.33Å; I367-M482 WeakPolarHBondContact CD1-O 3.22Å; L372-M482 HydrophobicContact CD1-CB 3.48Å; L372-M482 VanDerWaalsContact CD1-CB 3.48Å; L375-M482 HydrophobicContact CB-CE 3.79Å; L375-M482 HydrophobicContact CB-SD 3.75Å; L379-M482 HydrophobicContact CB-CE 4.31Å; L379-M482 HydrophobicContact CD2-CE 3.82Å; V478-M482 HydrophobicContact CG1-CE 4.04Å; V478-M482 WeakPolarHBondContact O-CG 3.49Å; V478-M482 PolarHBondContact O-N 2.82Å; L479-M482 HydrophobicContact CD2-SD 4.25Å; L479-M482 PolarHBondContact O-N 3.39Å; W480-M482 PolarHBondContact O-N 3Å; M482-S484 VanDerWaalsContact C-N 3.33Å; M482-S484 PolarHBondContact O-N 2.68Å; M482-R485 PolarHBondContact O-N 2.02Å; M482-C486 PolarHBondContact O-N 2.96Å
483	T	98.8	Very high	98	Very high	0 Å²	0	27.6 Å²	27.6	0%	0	15%	0.151	C	C	.	.	H	α-helix	trans	-62.8	-40.2	-179	-54.9	0	0	0	0	111.5	L479 W480 E481 R485 C486 V489 W529 I535 V538	L479-T483 WeakPolarHBondContact O-CB 3.27Å; L479-T483 PolarHBondContact O-N 3.37Å; L479-T483 PolarHBondContact O-OG1 3.09Å; W480-T483 PolarHBondContact O-N 3.1Å; E481-T483 PolarHBondContact O-N 3.13Å; T483-R485 PolarHBondContact O-N 3.29Å; T483-R485 VanDerWaalsContact O-N 3.08Å; T483-C486 WeakPolarHBondContact O-CB 3Å; T483-C486 PolarHBondContact O-N 2.89Å; T483-V489 HydrophobicContact CG2-CG1 4.42Å; T483-W529 HydrophobicContact CG2-CE3 3.79Å; T483-W529 HydrophobicContact CG2-CZ3 3.84Å; T483-I535 HydrophobicContact CG2-CD1 4.16Å; T483-I535 HydrophobicContact CG2-CG2 3.95Å; T483-V538 WeakPolarHBondContact OG1-CG1 3.04Å
484	S	98.6	Very high	98	Very high	14 Å²	14	34.5 Å²	34.5	10%	0.098	19%	0.188	C	C	.	.	H	α-helix	trans	-61.3	-19.3	178.9	78.9	0	0	0	0	114.2	W480 E481 M482 V492	W480-S484 WeakPolarHBondContact O-CB 3.41Å; W480-S484 PolarHBondContact O-N 3.11Å; E481-S484 PolarHBondContact O-N 3.08Å; E481-S484 PolarHBondContact O-OG 3.44Å; M482-S484 VanDerWaalsContact C-N 3.33Å; M482-S484 PolarHBondContact O-N 2.68Å; S484-V492 WeakPolarHBondContact O-CG1 3.26Å
485	R	98.7	Very high	97.9	Very high	15 Å²	15	35.6 Å²	35.6	6%	0.057	19%	0.191	C	C	.	.	T	Hydrogen-bonded Turn	trans	-109.1	7.9	179.8	-63.9	-61.8	-65.5	151.4	0.5	113.1	L362 H365 V366 I367 M482 T483 K493 Y495	L362-R485 HydrophobicContact CB-CG 4.18Å; L362-R485 HydrophobicContact CD2-CB 4.07Å; L362-R485 HydrophobicContact CD2-CG 4.45Å; L362-R485 PolarHBondContact O-NE 3.14Å; H365-R485 VanDerWaalsContact C-NH2 3.26Å; H365-R485 PolarHBondContact O-NE 3.36Å; H365-R485 PolarHBondContact O-NH2 3.09Å; V366-R485 CarbonylContact C-O 3.55Å; V366-R485 WeakPolarHBondContact CA-O 3.3Å; V366-R485 WeakPolarHBondContact CG1-O 3.47Å; V366-R485 VanDerWaalsContact CG2-NH2 3.27Å; I367-R485 WeakPolarHBondContact CG1-O 3.17Å; I367-R485 PolarHBondContact N-O 2.98Å; M482-R485 PolarHBondContact O-N 2.02Å; T483-R485 PolarHBondContact O-N 3.29Å; T483-R485 VanDerWaalsContact O-N 3.08Å; R485-K493 PolarHBondContact NH1-O 2.75Å; R485-Y495 HydrophobicContact CG-CD2 4.23Å
486	C	98.7	Very high	97.8	Very high	0 Å²	0	40.3 Å²	40.3	0%	0	21%	0.213	C	C	.	.	B	Isolated β-bridge	trans	-87.3	127	178.9	-172.6	0	0	0	0	111.4	I367 S368 L372 M482 T483 A488 V489 I535	I367-C486 HydrophobicContact CG1-CB 4.16Å; I367-C486 CarbonylContact O-C 3.6Å; I367-C486 VanDerWaalsContact O-CA 3.3Å; I367-C486 WeakPolarHBondContact O-CA 3.03Å; S368-C486 VanDerWaalsContact C-SG 3.59Å; S368-C486 PolarHBondContact O-SG 2.99Å; L372-C486 HydrophobicContact CB-CB 4.48Å; L372-C486 HydrophobicContact CD2-CB 3.98Å; M482-C486 PolarHBondContact O-N 2.96Å; T483-C486 WeakPolarHBondContact O-CB 3Å; T483-C486 PolarHBondContact O-N 2.89Å; C486-A488 PolarHBondContact O-N 2.86Å; C486-V489 HydrophobicContact CB-CG1 4.49Å; C486-V489 WeakPolarHBondContact O-CG2 3.41Å; C486-V489 PolarHBondContact O-N 3.39Å; C486-I535 HydrophobicContact CB-CD1 4.26Å
487	N	98.1	Very high	97.8	Very high	87 Å²	87	42 Å²	42	47%	0.465	22%	0.224	S	C	.	.	G	3₁₀ helix	trans	-67.4	-13.9	178.7	64.5	12.2	0	0	0	114.7	V366 I367 V489 G490 V492	V366-N487 HydrophobicContact CG1-CB 3.82Å; I367-N487 PolarHBondContact O-N 2.05Å; N487-V489 PolarHBondContact O-N 2.58Å; N487-G490 PolarHBondContact O-N 3.32Å; N487-G490 VanDerWaalsContact O-N 3.11Å; N487-V492 HydrophobicContact CB-CG2 4.41Å
488	A	97.6	Very high	97.7	Very high	26 Å²	26	42 Å²	42	22%	0.215	22%	0.224	C	C	.	.	G	3₁₀ helix	trans	-66.4	-17.2	175.7	0	0	0	0	0	113	W369 C486 G490 I535	W369-A488 HydrophobicContact CB-CB 4.08Å; C486-A488 PolarHBondContact O-N 2.86Å; A488-G490 PolarHBondContact O-N 3.25Å; A488-I535 HydrophobicContact CB-CD1 4.13Å; A488-I535 HydrophobicContact CB-CG1 3.95Å
489	V	96.3	Very high	97.6	Very high	6 Å²	6	42.3 Å²	42.3	4%	0.036	23%	0.226	C	C	.	.	G	3₁₀ helix	trans	-78.6	-7.5	174.8	-46	0	0	0	0	113.2	T483 C486 N487 V492 F528 W529 I535	T483-V489 HydrophobicContact CG2-CG1 4.42Å; C486-V489 HydrophobicContact CB-CG1 4.49Å; C486-V489 WeakPolarHBondContact O-CG2 3.41Å; C486-V489 PolarHBondContact O-N 3.39Å; N487-V489 PolarHBondContact O-N 2.58Å; V489-V492 HydrophobicContact CG2-CG2 4.25Å; V489-F528 WeakPolarHBondContact O-CD2 3.26Å; V489-W529 HydrophobicContact CB-CB 4.29Å; V489-W529 HydrophobicContact CB-CD2 4.21Å; V489-W529 HydrophobicContact CB-CG 3.78Å; V489-W529 HydrophobicContact CG1-CB 4.31Å; V489-W529 HydrophobicContact CG1-CD2 4.02Å; V489-W529 HydrophobicContact CG1-CE3 4.5Å; V489-W529 HydrophobicContact CG1-CG 3.93Å; V489-W529 HydrophobicContact CG2-CG 4.47Å; V489-I535 HydrophobicContact CG1-CD1 3.96Å; V489-I535 HydrophobicContact CG1-CG1 4.13Å; V489-I535 HydrophobicContact CG1-CG2 3.98Å
490	G	95.5	Very high	97.3	Very high	51 Å²	51	43.6 Å²	43.6	53%	0.526	24%	0.239	S	C	.	.	S	Bend	trans	93.8	-116.2	-174.3	0	0	0	0	0	112.1	N487 A488 V492	N487-G490 PolarHBondContact O-N 3.32Å; N487-G490 VanDerWaalsContact O-N 3.11Å; A488-G490 PolarHBondContact O-N 3.25Å; G490-V492 PolarHBondContact O-N 3.43Å
491	E	94.2	Very high	96.9	Very high	166 Å²	166	47.2 Å²	47.2	78%	0.776	27%	0.268	S	S	*	.	S	Bend	trans	-71.4	118.7	178.8	-170.3	-178.9	170.3	0	0	110.6
492	V	97.7	Very high	96.5	Very high	36 Å²	36	52.6 Å²	52.6	22%	0.218	29%	0.291	C	S	.	.	P	Polyproline II helix	trans	-102.7	121.1	-177.4	-170	0	0	0	0	109.6	V366 S484 N487 V489 G490	V366-V492 HydrophobicContact CG1-CB 4.39Å; V366-V492 HydrophobicContact CG1-CG1 4.28Å; V366-V492 HydrophobicContact CG1-CG2 3.99Å; V366-V492 HydrophobicContact CG2-CG1 4.26Å; S484-V492 WeakPolarHBondContact O-CG1 3.26Å; N487-V492 HydrophobicContact CB-CG2 4.41Å; V489-V492 HydrophobicContact CG2-CG2 4.25Å; G490-V492 PolarHBondContact O-N 3.43Å
493	K	95.8	Very high	96.2	Very high	145 Å²	145	53.2 Å²	53.2	63%	0.63	30%	0.295	S	S	*	.	P	Polyproline II helix	trans	-77.2	162.7	174.5	-64.4	-179	-178.5	176.7	0	111.3	R485	R485-K493 PolarHBondContact NH1-O 2.75Å
494	D	97.4	Very high	95.7	Very high	145 Å²	145	60.6 Å²	60.6	78%	0.775	32%	0.323	S	S	*	.	P	Polyproline II helix	trans	-55.1	149.7	168.4	-69.2	-28.7	0	0	0	111.2	E496	D494-E496 PolarHBondContact O-N 2.89Å
495	Y	98.2	Very high	95.1	Very high	31 Å²	31	67.6 Å²	67.6	12%	0.122	35%	0.354	C	S	.	.	P	Polyproline II helix	trans	-62.4	129.6	179.2	170.4	-94.1	0	0	0	110.6	Q359 L362 T363 E481 R485	Q359-Y495 HydrophobicContact CG-CE1 3.91Å; Q359-Y495 WeakPolarHBondContact CG-OH 2.94Å; Q359-Y495 PolarHBondContact NE2-OH 3.17Å; L362-Y495 HydrophobicContact CB-CD2 3.87Å; L362-Y495 HydrophobicContact CB-CE2 4.17Å; L362-Y495 HydrophobicContact CD1-CE2 4.48Å; T363-Y495 WeakPolarHBondContact OG1-CD1 3.23Å; E481-Y495 HydrophobicContact CB-CE2 4.29Å; E481-Y495 HydrophobicContact CG-CE2 4.28Å; E481-Y495 WeakPolarHBondContact OE2-CE2 3.39Å; E481-Y495 PolarHBondContact OE2-OH 2.94Å; R485-Y495 HydrophobicContact CG-CD2 4.23Å
496	E	96.9	Very high	94.6	Very high	100 Å²	100	73.2 Å²	73.2	47%	0.467	38%	0.381	S	S	.	.			trans	-127.1	139.1	166.9	-68.3	-173.7	172.7	0	0	108.9	D494	D494-E496 PolarHBondContact O-N 2.89Å
497	P	97.6	Very high	94.2	Very high	35 Å²	35	74 Å²	74	23%	0.227	39%	0.386	C	S	.	.			trans	-64.5	159.9	171.9	30.1	-35.5	0	0	0	110.2	F499 G500	P497-F499 PolarHBondContact O-N 3.25Å; P497-G500 WeakPolarHBondContact O-CA 3.48Å; P497-G500 PolarHBondContact O-N 3.36Å
498	P	98.1	Very high	93.9	Very high	0 Å²	0	72.5 Å²	72.5	0%	0	38%	0.382	C	S	.	.	T	Hydrogen-bonded Turn	trans	-52.4	130.9	177.9	-26.6	34.7	0	0	0	111.4	R448 Y449 L477 W480 E481 G500 P523	R448-P498 WeakPolarHBondContact CD-O 3Å; R448-P498 WeakPolarHBondContact CG-O 3.45Å; R448-P498 PolarHBondContact NH1-O 3.03Å; Y449-P498 HydrophobicContact CE1-CG 3.92Å; L477-P498 HydrophobicContact CB-CB 4.38Å; L477-P498 HydrophobicContact CB-CG 4Å; L477-P498 HydrophobicContact CD2-CB 4.24Å; W480-P498 HydrophobicContact CE3-CG 4.31Å; W480-P498 HydrophobicContact CZ3-CG 4.42Å; E481-P498 HydrophobicContact CG-CG 3.76Å; P498-G500 PolarHBondContact O-N 2.62Å; P498-P523 HydrophobicContact CB-CG 4.01Å
499	F	97	Very high	93.7	Very high	7 Å²	7	73.3 Å²	73.3	3%	0.031	38%	0.383	C	S	.	.	T	Hydrogen-bonded Turn	trans	63.8	16.9	-174.8	-45.3	-85.2	0	0	0	115.3	L477 P497 S501 K502 V503 M512 V516 P523	L477-F499 HydrophobicContact CD1-CE2 4.43Å; L477-F499 HydrophobicContact CD2-CE2 4.08Å; L477-F499 HydrophobicContact CD2-CZ 4.47Å; P497-F499 PolarHBondContact O-N 3.25Å; F499-S501 VanDerWaalsContact C-N 3.28Å; F499-S501 PolarHBondContact O-N 3.38Å; F499-K502 HydrophobicContact CD1-CD 4.49Å; F499-K502 PolarHBondContact O-N 3.22Å; F499-V503 HydrophobicContact CB-CG2 4.11Å; F499-V503 WeakPolarHBondContact O-CG2 3.43Å; F499-V503 PolarHBondContact O-N 3.26Å; F499-V503 VanDerWaalsContact O-N 3.1Å; F499-M512 HydrophobicContact CD2-CE 3.76Å; F499-M512 HydrophobicContact CE2-CE 3.96Å; F499-M512 HydrophobicContact CG-CE 4.3Å; F499-V516 HydrophobicContact CE1-CG2 4.2Å; F499-V516 HydrophobicContact CE2-CG2 4.25Å; F499-V516 HydrophobicContact CZ-CG2 3.78Å; F499-P523 HydrophobicContact CE2-CG 4.37Å; F499-P523 HydrophobicContact CZ-CG 4.33Å
500	G	92.1	Very high	93.6	Very high	28 Å²	28	78.3 Å²	78.3	29%	0.289	41%	0.406	S	S	.	.	T	Hydrogen-bonded Turn	trans	-53	-39.4	-176	0	0	0	0	0	114.6	P497 P498	P497-G500 WeakPolarHBondContact O-CA 3.48Å; P497-G500 PolarHBondContact O-N 3.36Å; P498-G500 PolarHBondContact O-N 2.62Å
501	S	90.8	Very high	93.5	Very high	99 Å²	99	77.5 Å²	77.5	69%	0.692	39%	0.393	S	S	*	.	T	Hydrogen-bonded Turn	trans	-78.7	-12.7	177	55.2	0	0	0	0	115	F499	F499-S501 VanDerWaalsContact C-N 3.28Å; F499-S501 PolarHBondContact O-N 3.38Å
502	K	89.5	Confident	93.7	Very high	113 Å²	113	69.6 Å²	69.6	49%	0.491	36%	0.356	S	S	.	.	T	Hydrogen-bonded Turn	trans	-105.6	-24.4	-173.9	-63.2	-174.9	179.3	178.1	0	113.9	F499 N515	F499-K502 HydrophobicContact CD1-CD 4.49Å; F499-K502 PolarHBondContact O-N 3.22Å; K502-N515 WeakPolarHBondContact CB-OD1 3.13Å; K502-N515 WeakPolarHBondContact CD-OD1 3.17Å
503	V	92.5	Very high	93.6	Very high	13 Å²	13	70.7 Å²	70.7	8%	0.079	36%	0.358	C	S	.	.	S	Bend	trans	-134.3	156	-177.4	-56.4	0	0	0	0	111.3	F499 P507 S511 M512 N515	F499-V503 HydrophobicContact CB-CG2 4.11Å; F499-V503 WeakPolarHBondContact O-CG2 3.43Å; F499-V503 PolarHBondContact O-N 3.26Å; F499-V503 VanDerWaalsContact O-N 3.1Å; V503-P507 HydrophobicContact CB-CB 4Å; V503-P507 HydrophobicContact CG2-CB 3.8Å; V503-P507 HydrophobicContact CG2-CG 4.03Å; V503-S511 WeakPolarHBondContact CG1-OG 3.38Å; V503-M512 HydrophobicContact CG1-SD 4.1Å; V503-M512 HydrophobicContact CG2-SD 4.09Å; V503-N515 VanDerWaalsContact CG1-ND2 3.34Å; V503-N515 WeakPolarHBondContact CG1-ND2 3.49Å
504	R	88.9	Confident	93.5	Very high	156 Å²	156	66.3 Å²	66.3	59%	0.589	34%	0.341	S	S	*	.			trans	-57.1	162.6	173.9	65.3	-179.5	-178.2	130.5	7.7	112.1	R448 H506 P507	R448-R504 PolarHBondContact NH2-O 2.88Å; R504-H506 VanDerWaalsContact C-N 3.28Å; R504-H506 PolarHBondContact NE-O 2.94Å; R504-H506 PolarHBondContact NH1-O 3.45Å; R504-H506 PolarHBondContact NH2-O 3.27Å; R504-H506 PolarHBondContact O-N 3.48Å; R504-P507 WeakPolarHBondContact O-CD 3.33Å
505	E	84.9	Confident	93.4	Very high	161 Å²	161	60.3 Å²	60.3	75%	0.752	31%	0.309	S	S	*	.	S	Bend	trans	-51.4	-45.2	-179.4	-171.2	179.3	-170.7	0	0	113.1	R448 P507	R448-E505 PolarHBondContact NH2-O 2.84Å; E505-P507 VanDerWaalsContact O-CD 3.24Å; E505-P507 WeakPolarHBondContact O-CD 3.29Å
506	H	88.7	Confident	93.3	Very high	133 Å²	133	58.9 Å²	58.9	62%	0.616	30%	0.304	S	S	*	.	S	Bend	trans	-112.3	77.8	177.1	-62.5	88.8	0	0	0	110.5	R504	R504-H506 VanDerWaalsContact C-N 3.28Å; R504-H506 PolarHBondContact NE-O 2.94Å; R504-H506 PolarHBondContact NH1-O 3.45Å; R504-H506 PolarHBondContact NH2-O 3.27Å; R504-H506 PolarHBondContact O-N 3.48Å
507	P	90.9	Very high	93.2	Very high	16 Å²	16	55.2 Å²	55.2	10%	0.104	29%	0.287	C	S	.	.			trans	-68.1	145.7	-172.5	29.8	-34.7	0	0	0	111.5	R448 V503 R504 E505 M512	R448-P507 HydrophobicContact CB-CG 3.97Å; V503-P507 HydrophobicContact CB-CB 4Å; V503-P507 HydrophobicContact CG2-CB 3.8Å; V503-P507 HydrophobicContact CG2-CG 4.03Å; R504-P507 WeakPolarHBondContact O-CD 3.33Å; E505-P507 VanDerWaalsContact O-CD 3.24Å; E505-P507 WeakPolarHBondContact O-CD 3.29Å; P507-M512 HydrophobicContact CB-CG 3.97Å; P507-M512 HydrophobicContact CB-SD 3.92Å; P507-M512 HydrophobicContact CG-CG 4.15Å; P507-M512 HydrophobicContact CG-SD 3.93Å
508	C	92.4	Very high	92.9	Very high	56 Å²	56	60.6 Å²	60.6	38%	0.378	30%	0.303	S	S	.	.			trans	-82.4	161.2	167.2	57.4	0	0	0	0	110.1	E510 S511 M512	C508-E510 PolarHBondContact O-N 3.46Å; C508-S511 PolarHBondContact O-N 3.41Å; C508-M512 PolarHBondContact O-N 3.38Å
509	V	93.3	Very high	92.8	Very high	42 Å²	42	64.9 Å²	64.9	26%	0.255	33%	0.326	S	S	.	.	H	α-helix	trans	-52.1	-43.2	176.6	170.6	0	0	0	0	111.6	Q443 A447 M450 L455 S511 M512 K513	Q443-V509 VanDerWaalsContact NE2-CG1 3.25Å; A447-V509 HydrophobicContact CB-CG2 4.3Å; M450-V509 HydrophobicContact SD-CG2 4.22Å; L455-V509 HydrophobicContact CD2-CG1 3.98Å; V509-S511 PolarHBondContact O-N 2.91Å; V509-M512 CarbonylContact O-C 3.58Å; V509-M512 WeakPolarHBondContact O-CA 3.41Å; V509-M512 WeakPolarHBondContact O-CB 3.41Å; V509-M512 PolarHBondContact O-N 2.84Å; V509-K513 HydrophobicContact CG1-CD 4.48Å; V509-K513 HydrophobicContact CG1-CG 4.36Å; V509-K513 PolarHBondContact O-N 2.85Å
510	E	92.9	Very high	92.7	Very high	111 Å²	111	71.3 Å²	71.3	52%	0.519	35%	0.35	S	S	.	.	H	α-helix	trans	-63.8	-42.9	-176.7	-158.9	60	-154.5	0	0	112.7	C508 M512 K513 D514	C508-E510 PolarHBondContact O-N 3.46Å; E510-M512 PolarHBondContact O-N 3.28Å; E510-K513 WeakPolarHBondContact O-CB 3.13Å; E510-K513 PolarHBondContact O-N 3.38Å; E510-K513 WeakPolarHBondContact OE2-CD 3.32Å; E510-K513 IonicContact OE2-NZ 3.1Å; E510-K513 PolarHBondContact OE2-NZ 2.85Å; E510-D514 PolarHBondContact O-N 3.34Å; E510-D514 VanDerWaalsContact O-N 3.09Å
511	S	94.4	Very high	92.8	Very high	35 Å²	35	70.4 Å²	70.4	25%	0.245	34%	0.341	C	S	.	.	H	α-helix	trans	-64.8	-28.2	175.1	175.8	0	0	0	0	112.4	V503 C508 V509 N515	V503-S511 WeakPolarHBondContact CG1-OG 3.38Å; C508-S511 PolarHBondContact O-N 3.41Å; V509-S511 PolarHBondContact O-N 2.91Å; S511-N515 PolarHBondContact O-N 3.33Å; S511-N515 PolarHBondContact O-ND2 2.99Å
512	M	97.1	Very high	93.2	Very high	0 Å²	0	67.6 Å²	67.6	0%	0	32%	0.315	C	S	.	.	H	α-helix	trans	-77.9	-37.5	174.4	-68	-58.5	-53	0	0	112.2	A447 R448 L455 F499 V503 P507 C508 V509 E510 D514 N515 V516	A447-M512 HydrophobicContact CB-CG 4.2Å; A447-M512 WeakPolarHBondContact O-CG 3.48Å; R448-M512 WeakPolarHBondContact O-CE 3.29Å; L455-M512 HydrophobicContact CD1-CB 4.03Å; L455-M512 HydrophobicContact CD2-CB 3.8Å; F499-M512 HydrophobicContact CD2-CE 3.76Å; F499-M512 HydrophobicContact CE2-CE 3.96Å; F499-M512 HydrophobicContact CG-CE 4.3Å; V503-M512 HydrophobicContact CG1-SD 4.1Å; V503-M512 HydrophobicContact CG2-SD 4.09Å; P507-M512 HydrophobicContact CB-CG 3.97Å; P507-M512 HydrophobicContact CB-SD 3.92Å; P507-M512 HydrophobicContact CG-CG 4.15Å; P507-M512 HydrophobicContact CG-SD 3.93Å; C508-M512 PolarHBondContact O-N 3.38Å; V509-M512 CarbonylContact O-C 3.58Å; V509-M512 WeakPolarHBondContact O-CA 3.41Å; V509-M512 WeakPolarHBondContact O-CB 3.41Å; V509-M512 PolarHBondContact O-N 2.84Å; E510-M512 PolarHBondContact O-N 3.28Å; M512-D514 VanDerWaalsContact C-N 3.29Å; M512-D514 PolarHBondContact O-N 3.46Å; M512-N515 PolarHBondContact O-N 2.84Å; M512-V516 HydrophobicContact CE-CG2 3.75Å; M512-V516 VanDerWaalsContact O-CB 3.3Å; M512-V516 WeakPolarHBondContact O-CB 3.34Å; M512-V516 WeakPolarHBondContact O-CG2 3.26Å; M512-V516 PolarHBondContact O-N 2.71Å
513	K	95.3	Very high	93.6	Very high	59 Å²	59	62.7 Å²	62.7	26%	0.257	30%	0.295	S	S	.	.	H	α-helix	trans	-56.4	-46.4	171.9	-72	178.6	175.3	167.6	0	111.2	L455 V509 E510 N515 V516 L517 R518	L455-K513 HydrophobicContact CB-CG 4Å; L455-K513 WeakPolarHBondContact O-CE 3.45Å; V509-K513 HydrophobicContact CG1-CD 4.48Å; V509-K513 HydrophobicContact CG1-CG 4.36Å; V509-K513 PolarHBondContact O-N 2.85Å; E510-K513 WeakPolarHBondContact O-CB 3.13Å; E510-K513 PolarHBondContact O-N 3.38Å; E510-K513 WeakPolarHBondContact OE2-CD 3.32Å; E510-K513 IonicContact OE2-NZ 3.1Å; E510-K513 PolarHBondContact OE2-NZ 2.85Å; K513-N515 VanDerWaalsContact C-N 3.33Å; K513-N515 PolarHBondContact O-N 3.29Å; K513-V516 PolarHBondContact O-N 3Å; K513-L517 HydrophobicContact CB-CD1 4.08Å; K513-L517 HydrophobicContact CG-CD1 3.87Å; K513-L517 WeakPolarHBondContact O-CA 2.9Å; K513-L517 VanDerWaalsContact O-CB 3.23Å; K513-L517 WeakPolarHBondContact O-CB 3.31Å; K513-L517 PolarHBondContact O-N 2.91Å; K513-R518 PolarHBondContact O-N 2.83Å; K513-R518 VanDerWaalsContact O-N 3.09Å
514	D	94.6	Very high	93.8	Very high	52 Å²	52	68.6 Å²	68.6	28%	0.278	32%	0.321	S	S	.	.	I	π-helix	trans	-51.3	-51.4	175.9	-85.7	15.4	0	0	0	112.1	E510 M512 R518 D519	E510-D514 PolarHBondContact O-N 3.34Å; E510-D514 VanDerWaalsContact O-N 3.09Å; M512-D514 VanDerWaalsContact C-N 3.29Å; M512-D514 PolarHBondContact O-N 3.46Å; D514-R518 VanDerWaalsContact CB-NH2 3.26Å; D514-R518 VanDerWaalsContact CG-NH2 3.26Å; D514-R518 WeakPolarHBondContact O-CB 3.19Å; D514-R518 IonicContact OD1-CZ 3.79Å; D514-R518 IonicContact OD1-NH1 3.56Å; D514-R518 PolarHBondContact OD1-NH1 2.85Å; D514-R518 IonicContact OD1-NH2 3.73Å; D514-R518 IonicContact OD2-CZ 2.7Å; D514-R518 IonicContact OD2-NH1 3.73Å; D514-R518 PolarHBondContact OD2-NH1 3.06Å; D514-R518 IonicContact OD2-NH2 3.29Å; D514-R518 PolarHBondContact OD2-NH2 3.41Å; D514-R518 VanDerWaalsContact OD2-NH2 3.1Å; D514-D519 WeakPolarHBondContact O-CB 3.35Å; D514-D519 PolarHBondContact O-N 2.88Å
515	N	94.9	Very high	94.2	Very high	20 Å²	20	63.2 Å²	63.2	11%	0.107	30%	0.304	C	S	.	.	I	π-helix	trans	-74.9	-45	-177.5	-78.2	-90.8	0	0	0	113.1	K502 V503 S511 M512 K513 G521	K502-N515 WeakPolarHBondContact CB-OD1 3.13Å; K502-N515 WeakPolarHBondContact CD-OD1 3.17Å; V503-N515 VanDerWaalsContact CG1-ND2 3.34Å; V503-N515 WeakPolarHBondContact CG1-ND2 3.49Å; S511-N515 PolarHBondContact O-N 3.33Å; S511-N515 PolarHBondContact O-ND2 2.99Å; M512-N515 PolarHBondContact O-N 2.84Å; K513-N515 VanDerWaalsContact C-N 3.33Å; K513-N515 PolarHBondContact O-N 3.29Å; N515-G521 VanDerWaalsContact O-CA 3.27Å; N515-G521 WeakPolarHBondContact O-CA 3.44Å; N515-G521 PolarHBondContact O-N 2.93Å
516	V	96.9	Very high	94.8	Very high	0 Å²	0	56.3 Å²	56.3	0%	0	27%	0.273	C	S	.	.	I	π-helix	trans	-89.6	-37	-167.8	176.2	0	0	0	0	112.3	P452 L455 Y473 F499 M512 K513 R522	P452-V516 HydrophobicContact CB-CG1 4.39Å; P452-V516 HydrophobicContact CG-CG1 3.83Å; L455-V516 HydrophobicContact CD1-CB 3.79Å; L455-V516 HydrophobicContact CD1-CG1 3.95Å; L455-V516 HydrophobicContact CD1-CG2 4.14Å; Y473-V516 WeakPolarHBondContact OH-CG1 3.46Å; F499-V516 HydrophobicContact CE1-CG2 4.2Å; F499-V516 HydrophobicContact CE2-CG2 4.25Å; F499-V516 HydrophobicContact CZ-CG2 3.78Å; M512-V516 HydrophobicContact CE-CG2 3.75Å; M512-V516 VanDerWaalsContact O-CB 3.3Å; M512-V516 WeakPolarHBondContact O-CB 3.34Å; M512-V516 WeakPolarHBondContact O-CG2 3.26Å; M512-V516 PolarHBondContact O-N 2.71Å; K513-V516 PolarHBondContact O-N 3Å; V516-R522 PolarHBondContact O-NH1 2.97Å
517	L	93.5	Very high	95.1	Very high	23 Å²	23	54.7 Å²	54.7	12%	0.12	28%	0.277	C	S	.	.	I	π-helix	trans	-96.4	-56.2	-176.8	-66.4	172.7	0	0	0	112.4	P452 L455 E456 K513 R520	P452-L517 HydrophobicContact CB-CD2 3.59Å; L455-L517 HydrophobicContact CB-CD1 3.98Å; L455-L517 HydrophobicContact CB-CG 4.5Å; E456-L517 HydrophobicContact CB-CD1 3.89Å; E456-L517 HydrophobicContact CG-CD1 4.3Å; K513-L517 HydrophobicContact CB-CD1 4.08Å; K513-L517 HydrophobicContact CG-CD1 3.87Å; K513-L517 WeakPolarHBondContact O-CA 2.9Å; K513-L517 VanDerWaalsContact O-CB 3.23Å; K513-L517 WeakPolarHBondContact O-CB 3.31Å; K513-L517 PolarHBondContact O-N 2.91Å; L517-R520 WeakPolarHBondContact O-CD 3.35Å; L517-R520 PolarHBondContact O-NE 2.81Å
518	R	93.2	Very high	95.4	Very high	149 Å²	149	57.9 Å²	57.9	56%	0.562	29%	0.289	S	S	*	.	I	π-helix	trans	-71.1	-53	-175.7	-178.6	-171.5	65.8	-139.3	-3.5	110.6	K513 D514 R520	K513-R518 PolarHBondContact O-N 2.83Å; K513-R518 VanDerWaalsContact O-N 3.09Å; D514-R518 VanDerWaalsContact CB-NH2 3.26Å; D514-R518 VanDerWaalsContact CG-NH2 3.26Å; D514-R518 WeakPolarHBondContact O-CB 3.19Å; D514-R518 IonicContact OD1-CZ 3.79Å; D514-R518 IonicContact OD1-NH1 3.56Å; D514-R518 PolarHBondContact OD1-NH1 2.85Å; D514-R518 IonicContact OD1-NH2 3.73Å; D514-R518 IonicContact OD2-CZ 2.7Å; D514-R518 IonicContact OD2-NH1 3.73Å; D514-R518 PolarHBondContact OD2-NH1 3.06Å; D514-R518 IonicContact OD2-NH2 3.29Å; D514-R518 PolarHBondContact OD2-NH2 3.41Å; D514-R518 VanDerWaalsContact OD2-NH2 3.1Å; R518-R520 VanDerWaalsContact C-N 3.28Å; R518-R520 PolarHBondContact O-N 2.89Å
519	D	94.1	Very high	95.7	Very high	89 Å²	89	56.1 Å²	56.1	48%	0.476	27%	0.274	S	S	.	.	S	Bend	trans	-86.8	-3.7	-174.6	-55.7	-17.7	0	0	0	112.3	D514 G521	D514-D519 WeakPolarHBondContact O-CB 3.35Å; D514-D519 PolarHBondContact O-N 2.88Å; D519-G521 PolarHBondContact O-N 2.66Å
520	R	95.3	Very high	95.9	Very high	142 Å²	142	57.4 Å²	57.4	54%	0.536	28%	0.279	S	S	.	.			trans	50.5	29	-176.4	-58.8	-68.3	173.3	145.2	-13.9	113	L517 R518 H548	L517-R520 WeakPolarHBondContact O-CD 3.35Å; L517-R520 PolarHBondContact O-NE 2.81Å; R518-R520 VanDerWaalsContact C-N 3.28Å; R518-R520 PolarHBondContact O-N 2.89Å; R520-H548 PolarHBondContact NH1-CD2 2.81Å; R520-H548 PolarHBondContact NH1-CE1 2.87Å; R520-H548 PolarHBondContact NH1-ND1 3.04Å; R520-H548 PolarHBondContact NH1-NE2 2.94Å; R520-H548 PolarHBondContact NH2-CE1 2.99Å; R520-H548 PolarHBondContact NH2-NE2 3Å
521	G	95.4	Very high	96	Very high	10 Å²	10	58.7 Å²	58.7	10%	0.103	29%	0.29	C	S	.	.			trans	-70.8	144.2	-175.3	0	0	0	0	0	112.3	N515 D519	N515-G521 VanDerWaalsContact O-CA 3.27Å; N515-G521 WeakPolarHBondContact O-CA 3.44Å; N515-G521 PolarHBondContact O-N 2.93Å; D519-G521 PolarHBondContact O-N 2.66Å
522	R	98.1	Very high	96.1	Very high	40 Å²	40	60.2 Å²	60.2	15%	0.151	29%	0.293	C	S	.	.			trans	-129.6	164.6	166.2	-65.1	-63.5	-179.5	-87.1	1.7	109.3	V516 W546	V516-R522 PolarHBondContact O-NH1 2.97Å; R522-W546 HydrophobicContact CB-CD2 4.21Å; R522-W546 HydrophobicContact CB-CE3 4.43Å; R522-W546 HydrophobicContact CB-CH2 4.07Å; R522-W546 HydrophobicContact CB-CZ2 3.83Å; R522-W546 HydrophobicContact CB-CZ3 4.37Å; R522-W546 HydrophobicContact CG-CD2 4.01Å; R522-W546 HydrophobicContact CG-CG 4.21Å; R522-W546 HydrophobicContact CG-CZ2 4.28Å; R522-W546 VanDerWaalsContact CZ-O 3.3Å; R522-W546 PolarHBondContact NE-O 3.01Å; R522-W546 PolarHBondContact NH2-O 2.8Å
523	P	97.9	Very high	96	Very high	10 Å²	10	68.2 Å²	68.2	7%	0.065	33%	0.331	C	S	.	.			trans	-53.4	141.6	165.4	-24.6	34.8	0	0	0	111.1	L477 W480 P498 F499 W546	L477-P523 HydrophobicContact CD2-CG 3.71Å; W480-P523 HydrophobicContact CD2-CB 3.36Å; W480-P523 HydrophobicContact CD2-CG 4.11Å; W480-P523 HydrophobicContact CE3-CB 3.84Å; W480-P523 HydrophobicContact CE3-CG 4.25Å; W480-P523 HydrophobicContact CG-CB 3.78Å; W480-P523 HydrophobicContact CG-CG 4.41Å; W480-P523 HydrophobicContact CH2-CB 4.1Å; W480-P523 HydrophobicContact CZ2-CB 3.64Å; W480-P523 HydrophobicContact CZ3-CB 4.19Å; P498-P523 HydrophobicContact CB-CG 4.01Å; F499-P523 HydrophobicContact CE2-CG 4.37Å; F499-P523 HydrophobicContact CZ-CG 4.33Å; P523-W546 HydrophobicContact CB-CH2 4.33Å; P523-W546 HydrophobicContact CB-CZ3 4.1Å; P523-W546 HydrophobicContact CG-CZ3 3.9Å; P523-W546 WeakPolarHBondContact O-CH2 3.08Å
524	E	96.3	Very high	96	Very high	136 Å²	136	65.8 Å²	65.8	64%	0.636	32%	0.322	S	S	*	.			trans	-71.7	136.4	-173.8	-171.6	-178.5	172.6	0	0	111.1	W480 P526	W480-E524 PolarHBondContact NE1-O 3.03Å; E524-P526 HydrophobicContact CG-CG 4.49Å; E524-P526 WeakPolarHBondContact O-CD 3.37Å
525	I	97.8	Very high	96.2	Very high	43 Å²	43	63.3 Å²	63.3	22%	0.221	31%	0.309	C	S	.	.			trans	-112.7	97.6	168.2	-57.3	176.5	0	0	0	107.1	W529 L530 C539 L542 W546	I525-W529 HydrophobicContact CG2-CE3 4.14Å; I525-L530 HydrophobicContact CG2-CD2 4.12Å; I525-C539 HydrophobicContact CD1-CB 4.17Å; I525-C539 HydrophobicContact CG2-CB 4.2Å; I525-L542 HydrophobicContact CD1-CD1 3.84Å; I525-W546 HydrophobicContact CD1-CH2 3.9Å; I525-W546 HydrophobicContact CD1-CZ2 3.75Å; I525-W546 HydrophobicContact CG1-CH2 4.1Å; I525-W546 HydrophobicContact CG1-CZ2 4.32Å
526	P	96.9	Very high	96.3	Very high	17 Å²	17	66 Å²	66	11%	0.11	32%	0.32	C	S	.	.			trans	-61	139.1	176.9	-23.5	33.8	0	0	0	111.7	E524 F528 W529	E524-P526 HydrophobicContact CG-CG 4.49Å; E524-P526 WeakPolarHBondContact O-CD 3.37Å; P526-F528 HydrophobicContact CB-CD1 3.47Å; P526-F528 VanDerWaalsContact CB-CD1 3.47Å; P526-F528 HydrophobicContact CB-CE1 3.14Å; P526-F528 HydrophobicContact CB-CG 4.32Å; P526-F528 HydrophobicContact CB-CZ 3.75Å; P526-F528 HydrophobicContact CG-CE1 3.88Å; P526-F528 HydrophobicContact CG-CZ 4.1Å; P526-F528 PolarHBondContact O-N 2.92Å; P526-F528 VanDerWaalsContact O-N 3.08Å; P526-W529 HydrophobicContact CG-CD2 4.5Å; P526-W529 HydrophobicContact CG-CZ2 4.37Å; P526-W529 VanDerWaalsContact O-CB 3.32Å; P526-W529 WeakPolarHBondContact O-CB 3.07Å; P526-W529 PolarHBondContact O-N 3Å
527	S	96.8	Very high	96.3	Very high	98 Å²	98	67.8 Å²	67.8	69%	0.685	33%	0.33	S	S	*	.	G	3₁₀ helix	trans	-58.8	-28.3	-176.3	58.6	0	0	0	0	113.7	W529 L530	S527-W529 PolarHBondContact O-N 3.14Å; S527-L530 WeakPolarHBondContact O-CB 3.09Å; S527-L530 PolarHBondContact O-N 3.13Å
528	F	96.4	Very high	96.6	Very high	84 Å²	84	66.8 Å²	66.8	37%	0.368	32%	0.324	S	S	.	.	G	3₁₀ helix	trans	-68.9	-20.1	178.5	67.5	-96.5	0	0	0	113.7	V489 P526 L530 N531	V489-F528 WeakPolarHBondContact O-CD2 3.26Å; P526-F528 HydrophobicContact CB-CD1 3.47Å; P526-F528 VanDerWaalsContact CB-CD1 3.47Å; P526-F528 HydrophobicContact CB-CE1 3.14Å; P526-F528 HydrophobicContact CB-CG 4.32Å; P526-F528 HydrophobicContact CB-CZ 3.75Å; P526-F528 HydrophobicContact CG-CE1 3.88Å; P526-F528 HydrophobicContact CG-CZ 4.1Å; P526-F528 PolarHBondContact O-N 2.92Å; P526-F528 VanDerWaalsContact O-N 3.08Å; F528-L530 PolarHBondContact O-N 2.99Å; F528-N531 WeakPolarHBondContact O-CB 3.1Å; F528-N531 PolarHBondContact O-N 3.11Å; F528-N531 PolarHBondContact O-ND2 2.97Å
529	W	97.9	Very high	96.8	Very high	18 Å²	18	59.9 Å²	59.9	7%	0.068	30%	0.299	C	S	.	.	G	3₁₀ helix	trans	-63.1	-34.6	172.6	-71	14.9	0	0	0	111.3	W480 T483 V489 I525 P526 S527 N531 H532 I535	W480-W529 AromaticContact NE1-CH2 3.92Å; W480-W529 AromaticContact NE1-CZ3 3.94Å; T483-W529 HydrophobicContact CG2-CE3 3.79Å; T483-W529 HydrophobicContact CG2-CZ3 3.84Å; V489-W529 HydrophobicContact CB-CB 4.29Å; V489-W529 HydrophobicContact CB-CD2 4.21Å; V489-W529 HydrophobicContact CB-CG 3.78Å; V489-W529 HydrophobicContact CG1-CB 4.31Å; V489-W529 HydrophobicContact CG1-CD2 4.02Å; V489-W529 HydrophobicContact CG1-CE3 4.5Å; V489-W529 HydrophobicContact CG1-CG 3.93Å; V489-W529 HydrophobicContact CG2-CG 4.47Å; I525-W529 HydrophobicContact CG2-CE3 4.14Å; P526-W529 HydrophobicContact CG-CD2 4.5Å; P526-W529 HydrophobicContact CG-CZ2 4.37Å; P526-W529 VanDerWaalsContact O-CB 3.32Å; P526-W529 WeakPolarHBondContact O-CB 3.07Å; P526-W529 PolarHBondContact O-N 3Å; S527-W529 PolarHBondContact O-N 3.14Å; W529-N531 PolarHBondContact O-N 2.86Å; W529-H532 PolarHBondContact O-N 3.4Å; W529-I535 HydrophobicContact CB-CG2 3.98Å; W529-I535 VanDerWaalsContact O-CG2 3.3Å; W529-I535 WeakPolarHBondContact O-CG2 3.42Å
530	L	97.5	Very high	97	Very high	69 Å²	69	60 Å²	60	36%	0.361	30%	0.297	S	S	.	.	G	3₁₀ helix	trans	-74.3	-3.9	-175.1	-50.1	179.5	0	0	0	113.2	I525 S527 F528 H532 Q536 C539	I525-L530 HydrophobicContact CG2-CD2 4.12Å; S527-L530 WeakPolarHBondContact O-CB 3.09Å; S527-L530 PolarHBondContact O-N 3.13Å; F528-L530 PolarHBondContact O-N 2.99Å; L530-H532 PolarHBondContact O-N 3.39Å; L530-Q536 HydrophobicContact CB-CB 4.49Å; L530-Q536 HydrophobicContact CD2-CB 4.44Å; L530-Q536 HydrophobicContact CD2-CG 4.42Å; L530-C539 HydrophobicContact CD2-CB 3.77Å
531	N	96.4	Very high	97.2	Very high	139 Å²	139	53.4 Å²	53.4	74%	0.743	27%	0.272	S	S	*	.	G	3₁₀ helix	trans	-66.5	-26.3	174.5	-69.3	-27.9	0	0	0	112.4	F528 W529	F528-N531 WeakPolarHBondContact O-CB 3.1Å; F528-N531 PolarHBondContact O-N 3.11Å; F528-N531 PolarHBondContact O-ND2 2.97Å; W529-N531 PolarHBondContact O-N 2.86Å
532	H	95.8	Very high	97.3	Very high	67 Å²	67	53 Å²	53	31%	0.31	27%	0.267	S	S	.	.	S	Bend	trans	-92.4	118.4	174.3	-174.5	-84.6	0	0	0	109.9	W369 W529 L530 G534 I535 Q536	W369-H532 AromaticContact CD2-CE1 3.73Å; W369-H532 AromaticContact CE2-CE1 3.96Å; W369-H532 AromaticContact CE3-CE1 3.96Å; W529-H532 PolarHBondContact O-N 3.4Å; L530-H532 PolarHBondContact O-N 3.39Å; H532-G534 VanDerWaalsContact C-N 3.28Å; H532-G534 PolarHBondContact ND1-N 2.01Å; H532-G534 PolarHBondContact O-N 3.38Å; H532-I535 HydrophobicContact CB-CB 4.06Å; H532-I535 HydrophobicContact CB-CG1 3.91Å; H532-I535 PolarHBondContact ND1-N 2.85Å; H532-I535 PolarHBondContact O-N 3.01Å; H532-Q536 PolarHBondContact O-N 2.93Å
533	Q	94.7	Very high	97.4	Very high	168 Å²	168	54 Å²	54	79%	0.785	28%	0.278	S	S	*	.	H	α-helix	trans	-55.5	-40.7	-174.9	-67.8	-179	-12	0	0	113.3	Q536 M537	Q533-Q536 WeakPolarHBondContact O-CB 3.07Å; Q533-Q536 PolarHBondContact O-N 3.08Å; Q533-M537 PolarHBondContact O-N 3.06Å; Q533-M537 VanDerWaalsContact O-N 3.09Å
534	G	95.6	Very high	97.4	Very high	7 Å²	7	56.9 Å²	56.9	7%	0.072	29%	0.29	C	S	.	.	H	α-helix	trans	-65.3	-38.4	176.2	0	0	0	0	0	113.1	W369 H532 M537 V538	W369-G534 WeakPolarHBondContact CH2-O 3.45Å; W369-G534 WeakPolarHBondContact CZ3-O 3.32Å; H532-G534 VanDerWaalsContact C-N 3.28Å; H532-G534 PolarHBondContact ND1-N 2.01Å; H532-G534 PolarHBondContact O-N 3.38Å; G534-M537 PolarHBondContact O-N 3.06Å; G534-V538 WeakPolarHBondContact O-CG2 3.21Å; G534-V538 PolarHBondContact O-N 2.84Å; G534-V538 VanDerWaalsContact O-N 3.15Å
535	I	97.9	Very high	97.5	Very high	0 Å²	0	50.4 Å²	50.4	0%	0	26%	0.26	C	S	.	.	H	α-helix	trans	-71.2	-40.3	178.6	-65.2	-69.6	0	0	0	109.4	W369 L372 T483 C486 A488 V489 W529 H532 M537 V538 C539	W369-I535 HydrophobicContact CE3-CD1 3.85Å; W369-I535 HydrophobicContact CE3-CG1 4.24Å; W369-I535 HydrophobicContact CZ3-CD1 3.86Å; W369-I535 HydrophobicContact CZ3-CG1 4.23Å; L372-I535 HydrophobicContact CD2-CD1 3.49Å; L372-I535 VanDerWaalsContact CD2-CD1 3.49Å; T483-I535 HydrophobicContact CG2-CD1 4.16Å; T483-I535 HydrophobicContact CG2-CG2 3.95Å; C486-I535 HydrophobicContact CB-CD1 4.26Å; A488-I535 HydrophobicContact CB-CD1 4.13Å; A488-I535 HydrophobicContact CB-CG1 3.95Å; V489-I535 HydrophobicContact CG1-CD1 3.96Å; V489-I535 HydrophobicContact CG1-CG1 4.13Å; V489-I535 HydrophobicContact CG1-CG2 3.98Å; W529-I535 HydrophobicContact CB-CG2 3.98Å; W529-I535 VanDerWaalsContact O-CG2 3.3Å; W529-I535 WeakPolarHBondContact O-CG2 3.42Å; H532-I535 HydrophobicContact CB-CB 4.06Å; H532-I535 HydrophobicContact CB-CG1 3.91Å; H532-I535 PolarHBondContact ND1-N 2.85Å; H532-I535 PolarHBondContact O-N 3.01Å; I535-M537 VanDerWaalsContact C-N 3.32Å; I535-M537 PolarHBondContact O-N 2.76Å; I535-V538 PolarHBondContact O-N 3.4Å; I535-C539 WeakPolarHBondContact O-CB 3.09Å; I535-C539 PolarHBondContact O-N 2.98Å; I535-C539 PolarHBondContact O-SG 3.5Å; I535-C539 VanDerWaalsContact O-SG 3.35Å
536	Q	97.8	Very high	97.6	Very high	76 Å²	76	49 Å²	49	36%	0.355	25%	0.252	S	S	.	.	H	α-helix	trans	-53.4	-49.7	173.9	-178.3	-174.5	-0.2	0	0	111.2	L530 H532 Q533 V538 C539 E540	L530-Q536 HydrophobicContact CB-CB 4.49Å; L530-Q536 HydrophobicContact CD2-CB 4.44Å; L530-Q536 HydrophobicContact CD2-CG 4.42Å; H532-Q536 PolarHBondContact O-N 2.93Å; Q533-Q536 WeakPolarHBondContact O-CB 3.07Å; Q533-Q536 PolarHBondContact O-N 3.08Å; Q536-V538 VanDerWaalsContact C-N 3.35Å; Q536-V538 PolarHBondContact O-N 3.47Å; Q536-C539 PolarHBondContact O-N 3.17Å; Q536-E540 HydrophobicContact CG-CG 4.46Å; Q536-E540 VanDerWaalsContact CG-OE1 3.31Å; Q536-E540 WeakPolarHBondContact CG-OE1 3.38Å; Q536-E540 PolarHBondContact NE2-OE1 3.04Å; Q536-E540 WeakPolarHBondContact O-CG 3.43Å; Q536-E540 PolarHBondContact O-N 3.21Å
537	M	97.7	Very high	97.7	Very high	39 Å²	39	51.3 Å²	51.3	19%	0.192	26%	0.263	C	S	.	.	H	α-helix	trans	-63.5	-39.4	179.2	-165.6	-148	-74.6	0	0	112.6	Q533 G534 I535 E540 T541 L566 L569	Q533-M537 PolarHBondContact O-N 3.06Å; Q533-M537 VanDerWaalsContact O-N 3.09Å; G534-M537 PolarHBondContact O-N 3.06Å; I535-M537 VanDerWaalsContact C-N 3.32Å; I535-M537 PolarHBondContact O-N 2.76Å; M537-E540 PolarHBondContact O-N 3.27Å; M537-T541 VanDerWaalsContact O-CB 3.31Å; M537-T541 WeakPolarHBondContact O-CB 3.04Å; M537-T541 PolarHBondContact O-N 2.03Å; M537-T541 PolarHBondContact O-OG1 3.27Å; M537-L566 HydrophobicContact CB-CD2 4.21Å; M537-L566 HydrophobicContact CE-CD1 4.47Å; M537-L566 HydrophobicContact CE-CD2 3.19Å; M537-L566 HydrophobicContact CE-CG 3.53Å; M537-L566 HydrophobicContact SD-CD1 3.7Å; M537-L566 HydrophobicContact SD-CD2 3.53Å; M537-L566 VanDerWaalsContact SD-CD2 3.53Å; M537-L566 HydrophobicContact SD-CG 3.36Å; M537-L566 WeakPolarHBondContact SD-CG 2.95Å; M537-L569 HydrophobicContact CE-CD1 4.35Å
538	V	98.4	Very high	97.7	Very high	2 Å²	2	49.4 Å²	49.4	1%	0.012	24%	0.244	C	C	.	.	H	α-helix	trans	-63.3	-44	174.9	172.9	0	0	0	0	110.7	W369 T483 G534 I535 Q536 T541 L542 F563 L566	W369-V538 HydrophobicContact CH2-CG2 4.1Å; W369-V538 HydrophobicContact CZ3-CG2 4.14Å; T483-V538 WeakPolarHBondContact OG1-CG1 3.04Å; G534-V538 WeakPolarHBondContact O-CG2 3.21Å; G534-V538 PolarHBondContact O-N 2.84Å; G534-V538 VanDerWaalsContact O-N 3.15Å; I535-V538 PolarHBondContact O-N 3.4Å; Q536-V538 VanDerWaalsContact C-N 3.35Å; Q536-V538 PolarHBondContact O-N 3.47Å; V538-T541 PolarHBondContact O-N 3.23Å; V538-L542 HydrophobicContact CG1-CD2 4.19Å; V538-L542 VanDerWaalsContact O-CG 3.32Å; V538-L542 WeakPolarHBondContact O-CG 3.25Å; V538-L542 PolarHBondContact O-N 3.5Å; V538-F563 HydrophobicContact CG1-CZ 4.29Å; V538-F563 HydrophobicContact CG2-CE1 4.02Å; V538-F563 HydrophobicContact CG2-CZ 4.05Å; V538-L566 HydrophobicContact CG2-CD1 3.98Å
539	C	98.7	Very high	97.7	Very high	3 Å²	3	49.2 Å²	49.2	2%	0.02	25%	0.246	C	C	.	.	H	α-helix	trans	-63.8	-42.2	177	-73.8	0	0	0	0	112.7	I525 L530 I535 Q536 T543	I525-C539 HydrophobicContact CD1-CB 4.17Å; I525-C539 HydrophobicContact CG2-CB 4.2Å; L530-C539 HydrophobicContact CD2-CB 3.77Å; I535-C539 WeakPolarHBondContact O-CB 3.09Å; I535-C539 PolarHBondContact O-N 2.98Å; I535-C539 PolarHBondContact O-SG 3.5Å; I535-C539 VanDerWaalsContact O-SG 3.35Å; Q536-C539 PolarHBondContact O-N 3.17Å; C539-T543 VanDerWaalsContact O-CB 3.23Å; C539-T543 WeakPolarHBondContact O-CB 3.19Å; C539-T543 PolarHBondContact O-N 2.88Å; C539-T543 PolarHBondContact O-OG1 3.32Å
540	E	98.5	Very high	97.6	Very high	93 Å²	93	49.8 Å²	49.8	44%	0.435	25%	0.252	S	S	.	.	H	α-helix	trans	-61.8	-46.8	174.1	-73.4	169.2	-175.9	0	0	110.5	Q536 M537 T543 E544	Q536-E540 HydrophobicContact CG-CG 4.46Å; Q536-E540 VanDerWaalsContact CG-OE1 3.31Å; Q536-E540 WeakPolarHBondContact CG-OE1 3.38Å; Q536-E540 PolarHBondContact NE2-OE1 3.04Å; Q536-E540 WeakPolarHBondContact O-CG 3.43Å; Q536-E540 PolarHBondContact O-N 3.21Å; M537-E540 PolarHBondContact O-N 3.27Å; E540-T543 WeakPolarHBondContact O-CB 3.42Å; E540-T543 PolarHBondContact O-N 3.44Å; E540-T543 VanDerWaalsContact O-N 3.13Å; E540-E544 PolarHBondContact O-N 3.04Å
541	T	98.8	Very high	97.5	Very high	3 Å²	3	52.2 Å²	52.2	2%	0.018	26%	0.262	C	S	.	.	H	α-helix	trans	-61	-49.8	179.4	-59.2	0	0	0	0	112.7	M537 V538 T543 E544 C545 L554 V559 R562	M537-T541 VanDerWaalsContact O-CB 3.31Å; M537-T541 WeakPolarHBondContact O-CB 3.04Å; M537-T541 PolarHBondContact O-N 2.03Å; M537-T541 PolarHBondContact O-OG1 3.27Å; V538-T541 PolarHBondContact O-N 3.23Å; T541-T543 PolarHBondContact O-N 3.33Å; T541-E544 PolarHBondContact O-N 3.47Å; T541-C545 PolarHBondContact O-N 2.98Å; T541-C545 VanDerWaalsContact O-N 3.12Å; T541-C545 PolarHBondContact O-SG 3.12Å; T541-L554 HydrophobicContact CG2-CD1 3.88Å; T541-V559 HydrophobicContact CG2-CB 4.39Å; T541-V559 HydrophobicContact CG2-CG1 4Å; T541-V559 HydrophobicContact CG2-CG2 3.97Å; T541-R562 WeakPolarHBondContact OG1-CD 3.41Å; T541-R562 PolarHBondContact OG1-NH1 3.28Å; T541-R562 VanDerWaalsContact OG1-NH1 3.08Å
542	L	98.4	Very high	97.6	Very high	0 Å²	0	48 Å²	48	0%	0	25%	0.247	C	C	.	.	H	α-helix	trans	-68.4	-25.5	177.5	68.2	84.5	0	0	0	112	A476 L479 W480 I525 V538 C545 W546	A476-L542 HydrophobicContact CB-CB 4.34Å; L479-L542 HydrophobicContact CB-CB 4.15Å; L479-L542 HydrophobicContact CB-CD2 4.14Å; L479-L542 HydrophobicContact CD1-CB 4.39Å; W480-L542 HydrophobicContact CB-CD1 4.46Å; W480-L542 HydrophobicContact CB-CD2 4.26Å; I525-L542 HydrophobicContact CD1-CD1 3.84Å; V538-L542 HydrophobicContact CG1-CD2 4.19Å; V538-L542 VanDerWaalsContact O-CG 3.32Å; V538-L542 WeakPolarHBondContact O-CG 3.25Å; V538-L542 PolarHBondContact O-N 3.5Å; L542-C545 PolarHBondContact O-N 3.27Å; L542-W546 HydrophobicContact CD1-CD2 4.21Å; L542-W546 HydrophobicContact CD1-CE3 4.03Å; L542-W546 HydrophobicContact CD1-CH2 3.5Å; L542-W546 VanDerWaalsContact CD1-CH2 3.5Å; L542-W546 HydrophobicContact CD1-CZ2 3.68Å; L542-W546 HydrophobicContact CD1-CZ3 3.68Å; L542-W546 PolarHBondContact O-N 2.93Å
543	T	98.8	Very high	97.7	Very high	62 Å²	62	45.6 Å²	45.6	38%	0.38	24%	0.235	S	C	.	.	H	α-helix	trans	-68.8	-39.9	176.8	-63.2	0	0	0	0	111.9	C539 E540 T541 C545 W546	C539-T543 VanDerWaalsContact O-CB 3.23Å; C539-T543 WeakPolarHBondContact O-CB 3.19Å; C539-T543 PolarHBondContact O-N 2.88Å; C539-T543 PolarHBondContact O-OG1 3.32Å; E540-T543 WeakPolarHBondContact O-CB 3.42Å; E540-T543 PolarHBondContact O-N 3.44Å; E540-T543 VanDerWaalsContact O-N 3.13Å; T541-T543 PolarHBondContact O-N 3.33Å; T543-C545 VanDerWaalsContact C-N 3.33Å; T543-W546 VanDerWaalsContact CA-NE1 3.35Å; T543-W546 PolarHBondContact O-NE1 2.82Å
544	E	98.8	Very high	97.9	Very high	70 Å²	70	38.9 Å²	38.9	33%	0.327	20%	0.204	S	C	.	.	H	α-helix	trans	-66.3	-36.5	170.8	-67.7	170.3	-112.1	0	0	111.3	E540 T541 W546 D547 R553 L554 R562	E540-E544 PolarHBondContact O-N 3.04Å; T541-E544 PolarHBondContact O-N 3.47Å; E544-W546 PolarHBondContact O-N 2.74Å; E544-D547 WeakPolarHBondContact O-CB 3.37Å; E544-D547 PolarHBondContact O-N 2.85Å; E544-R553 WeakPolarHBondContact O-CA 3.26Å; E544-L554 HydrophobicContact CB-CD1 4.02Å; E544-L554 HydrophobicContact CB-CG 3.98Å; E544-R562 VanDerWaalsContact CD-NH2 3.29Å; E544-R562 IonicContact OE1-CZ 2.68Å; E544-R562 VanDerWaalsContact OE1-CZ 3.29Å; E544-R562 IonicContact OE1-NH1 3.58Å; E544-R562 PolarHBondContact OE1-NH1 2.94Å; E544-R562 IonicContact OE1-NH2 3.5Å; E544-R562 PolarHBondContact OE1-NH2 2.8Å; E544-R562 IonicContact OE2-CZ 3.58Å; E544-R562 IonicContact OE2-NH1 2.73Å; E544-R562 IonicContact OE2-NH2 3.5Å; E544-R562 PolarHBondContact OE2-NH2 3Å
545	C	98.8	Very high	98.1	Very high	0 Å²	0	41.4 Å²	41.4	0%	0	22%	0.218	C	C	.	.	H	α-helix	trans	-70.5	-28.2	-178.3	-65.8	0	0	0	0	114.2	V472 Y473 A476 T541 L542 T543 R553 V559	V472-C545 HydrophobicContact CG1-CB 3.71Å; Y473-C545 WeakPolarHBondContact CA-O 3.36Å; A476-C545 HydrophobicContact CB-CB 3.54Å; T541-C545 PolarHBondContact O-N 2.98Å; T541-C545 VanDerWaalsContact O-N 3.12Å; T541-C545 PolarHBondContact O-SG 3.12Å; L542-C545 PolarHBondContact O-N 3.27Å; T543-C545 VanDerWaalsContact C-N 3.33Å; C545-R553 WeakPolarHBondContact O-CD 3.32Å; C545-R553 WeakPolarHBondContact O-CG 3.35Å; C545-V559 WeakPolarHBondContact SG-CG2 3.24Å
546	W	98.6	Very high	98.1	Very high	15 Å²	15	41.5 Å²	41.5	6%	0.057	22%	0.219	C	C	.	.	T	Hydrogen-bonded Turn	trans	-98.3	19.9	177	68.3	20	0	0	0	113.8	Y473 A476 L477 W480 R522 P523 I525 L542 T543 E544	Y473-W546 HydrophobicContact CD2-CB 3.85Å; Y473-W546 HydrophobicContact CE2-CB 3.83Å; A476-W546 HydrophobicContact CB-CB 3.78Å; A476-W546 HydrophobicContact CB-CE3 4.47Å; A476-W546 HydrophobicContact CB-CG 4.46Å; L477-W546 HydrophobicContact CD2-CE3 3.96Å; L477-W546 HydrophobicContact CD2-CZ3 4.37Å; W480-W546 HydrophobicContact CB-CZ3 4Å; W480-W546 HydrophobicContact CG-CH2 4.46Å; W480-W546 HydrophobicContact CG-CZ3 4.15Å; R522-W546 HydrophobicContact CB-CD2 4.21Å; R522-W546 HydrophobicContact CB-CE3 4.43Å; R522-W546 HydrophobicContact CB-CH2 4.07Å; R522-W546 HydrophobicContact CB-CZ2 3.83Å; R522-W546 HydrophobicContact CB-CZ3 4.37Å; R522-W546 HydrophobicContact CG-CD2 4.01Å; R522-W546 HydrophobicContact CG-CG 4.21Å; R522-W546 HydrophobicContact CG-CZ2 4.28Å; R522-W546 VanDerWaalsContact CZ-O 3.3Å; R522-W546 PolarHBondContact NE-O 3.01Å; R522-W546 PolarHBondContact NH2-O 2.8Å; P523-W546 HydrophobicContact CB-CH2 4.33Å; P523-W546 HydrophobicContact CB-CZ3 4.1Å; P523-W546 HydrophobicContact CG-CZ3 3.9Å; P523-W546 WeakPolarHBondContact O-CH2 3.08Å; I525-W546 HydrophobicContact CD1-CH2 3.9Å; I525-W546 HydrophobicContact CD1-CZ2 3.75Å; I525-W546 HydrophobicContact CG1-CH2 4.1Å; I525-W546 HydrophobicContact CG1-CZ2 4.32Å; L542-W546 HydrophobicContact CD1-CD2 4.21Å; L542-W546 HydrophobicContact CD1-CE3 4.03Å; L542-W546 HydrophobicContact CD1-CH2 3.5Å; L542-W546 VanDerWaalsContact CD1-CH2 3.5Å; L542-W546 HydrophobicContact CD1-CZ2 3.68Å; L542-W546 HydrophobicContact CD1-CZ3 3.68Å; L542-W546 PolarHBondContact O-N 2.93Å; T543-W546 VanDerWaalsContact CA-NE1 3.35Å; T543-W546 PolarHBondContact O-NE1 2.82Å; E544-W546 PolarHBondContact O-N 2.74Å
547	D	98.6	Very high	98.1	Very high	64 Å²	64	42.5 Å²	42.5	34%	0.342	22%	0.224	S	C	.	.			trans	-54.9	149.4	177.7	-159.5	-72.6	0	0	0	110.7	E544 D549 A552 R553	E544-D547 WeakPolarHBondContact O-CB 3.37Å; E544-D547 PolarHBondContact O-N 2.85Å; D547-D549 VanDerWaalsContact C-N 3.34Å; D547-D549 PolarHBondContact OD1-N 2.99Å; D547-A552 HydrophobicContact CB-CB 4.18Å; D547-R553 HydrophobicContact CB-CG 4.17Å; D547-R553 PolarHBondContact O-NE 2.82Å; D547-R553 PolarHBondContact O-NH2 2.87Å
548	H	96.8	Very high	98.2	Very high	58 Å²	58	42.8 Å²	42.8	27%	0.269	23%	0.229	S	C	.	.	S	Bend	trans	-66.2	-40.6	175.8	-179.1	84.6	0	0	0	111.8	R520 P550 R553	R520-H548 PolarHBondContact NH1-CD2 2.81Å; R520-H548 PolarHBondContact NH1-CE1 2.87Å; R520-H548 PolarHBondContact NH1-ND1 3.04Å; R520-H548 PolarHBondContact NH1-NE2 2.94Å; R520-H548 PolarHBondContact NH2-CE1 2.99Å; R520-H548 PolarHBondContact NH2-NE2 3Å; H548-P550 WeakPolarHBondContact O-CD 3.01Å; H548-R553 PolarHBondContact O-NH2 2.96Å
549	D	96.6	Very high	98.2	Very high	80 Å²	80	42.7 Å²	42.7	43%	0.428	23%	0.229	S	C	.	.	S	Bend	trans	-78	117	174	-175.5	-3.5	0	0	0	109.3	D547 E551 A552	D547-D549 VanDerWaalsContact C-N 3.34Å; D547-D549 PolarHBondContact OD1-N 2.99Å; D549-E551 PolarHBondContact O-N 3Å; D549-E551 PolarHBondContact OD1-N 2.91Å; D549-A552 HydrophobicContact CB-CB 4.04Å; D549-A552 PolarHBondContact O-N 2.02Å
550	P	96.7	Very high	98.2	Very high	30 Å²	30	42.8 Å²	42.8	20%	0.195	23%	0.23	C	C	.	.	G	3₁₀ helix	trans	-64.3	-26.7	-179.7	30.2	-38.2	0	0	0	113.4	Q469 H548 A552 R553	Q469-P550 HydrophobicContact CB-CB 3.85Å; Q469-P550 VanDerWaalsContact CD-O 3.28Å; Q469-P550 HydrophobicContact CG-CB 4.3Å; Q469-P550 WeakPolarHBondContact CG-O 3.3Å; Q469-P550 PolarHBondContact NE2-O 3.15Å; H548-P550 WeakPolarHBondContact O-CD 3.01Å; P550-A552 VanDerWaalsContact C-N 3.3Å; P550-A552 PolarHBondContact O-N 3.28Å; P550-R553 WeakPolarHBondContact O-CB 3.45Å; P550-R553 PolarHBondContact O-N 3.11Å
551	E	96.3	Very high	98.2	Very high	120 Å²	120	42.9 Å²	42.9	56%	0.561	23%	0.23	S	C	*	.	G	3₁₀ helix	trans	-75.6	-19.3	177.9	-65.5	-64.8	138.6	0	0	112.9	Q469 D549 R553	Q469-E551 VanDerWaalsContact NE2-CD 3.31Å; Q469-E551 PolarHBondContact NE2-OE1 2.94Å; D549-E551 PolarHBondContact O-N 3Å; D549-E551 PolarHBondContact OD1-N 2.91Å; E551-R553 VanDerWaalsContact C-N 3.29Å
552	A	97.6	Very high	98.1	Very high	51 Å²	51	45.6 Å²	45.6	42%	0.421	24%	0.24	S	C	.	.	G	3₁₀ helix	trans	-81	-10.9	175.2	0	0	0	0	0	112.9	D547 D549 P550	D547-A552 HydrophobicContact CB-CB 4.18Å; D549-A552 HydrophobicContact CB-CB 4.04Å; D549-A552 PolarHBondContact O-N 2.02Å; P550-A552 VanDerWaalsContact C-N 3.3Å; P550-A552 PolarHBondContact O-N 3.28Å
553	R	98.5	Very high	98.1	Very high	17 Å²	17	45.8 Å²	45.8	6%	0.064	24%	0.241	C	C	.	.	S	Bend	trans	-76.4	145	-176.7	-59.8	175.8	-170.7	146.8	15.7	111.1	E453 Q469 V472 E544 C545 D547 H548 P550 E551	E453-R553 IonicContact OE1-CZ 2.72Å; E453-R553 IonicContact OE1-NH1 3.46Å; E453-R553 PolarHBondContact OE1-NH1 2.9Å; E453-R553 IonicContact OE1-NH2 3.48Å; E453-R553 PolarHBondContact OE1-NH2 3.06Å; E453-R553 IonicContact OE2-CZ 3.27Å; E453-R553 IonicContact OE2-NH1 2.62Å; E453-R553 IonicContact OE2-NH2 2.81Å; E453-R553 PolarHBondContact OE2-NH2 2.99Å; Q469-R553 PolarHBondContact O-NH1 2.9Å; V472-R553 HydrophobicContact CG1-CB 4.12Å; E544-R553 WeakPolarHBondContact O-CA 3.26Å; C545-R553 WeakPolarHBondContact O-CD 3.32Å; C545-R553 WeakPolarHBondContact O-CG 3.35Å; D547-R553 HydrophobicContact CB-CG 4.17Å; D547-R553 PolarHBondContact O-NE 2.82Å; D547-R553 PolarHBondContact O-NH2 2.87Å; H548-R553 PolarHBondContact O-NH2 2.96Å; P550-R553 WeakPolarHBondContact O-CB 3.45Å; P550-R553 PolarHBondContact O-N 3.11Å; E551-R553 VanDerWaalsContact C-N 3.29Å
554	L	98.6	Very high	97.8	Very high	27 Å²	27	44.9 Å²	44.9	14%	0.141	24%	0.237	C	C	.	.	P	Polyproline II helix	trans	-63.3	153.3	168.9	-61.7	172.8	0	0	0	110.8	V472 T541 E544 C558 V559 R562	V472-L554 WeakPolarHBondContact CG1-O 3.47Å; T541-L554 HydrophobicContact CG2-CD1 3.88Å; E544-L554 HydrophobicContact CB-CD1 4.02Å; E544-L554 HydrophobicContact CB-CG 3.98Å; L554-C558 HydrophobicContact CB-CB 4.27Å; L554-C558 HydrophobicContact CD2-CB 4.34Å; L554-V559 HydrophobicContact CB-CG2 3.99Å; L554-V559 HydrophobicContact CD1-CG2 4.15Å; L554-R562 VanDerWaalsContact CD1-CZ 3.5Å
555	T	98.6	Very high	97.5	Very high	60 Å²	60	47.1 Å²	47.1	37%	0.368	25%	0.248	S	C	.	.	P	Polyproline II helix	trans	-77.6	157.1	165.6	71.8	0	0	0	0	110.1	Q557 C558 V559	T555-Q557 PolarHBondContact O-N 2.01Å; T555-C558 WeakPolarHBondContact O-CB 3.2Å; T555-C558 PolarHBondContact O-N 3.41Å; T555-C558 VanDerWaalsContact O-N 3.09Å; T555-C558 PolarHBondContact OG1-N 3.01Å; T555-C558 VanDerWaalsContact OG1-N 3.13Å; T555-C558 PolarHBondContact OG1-SG 2.88Å; T555-V559 WeakPolarHBondContact O-CG2 3.32Å; T555-V559 PolarHBondContact O-N 2.82Å; T555-V559 VanDerWaalsContact O-N 3.08Å
556	A	98.7	Very high	97	Very high	2 Å²	2	47.6 Å²	47.6	2%	0.017	25%	0.25	C	C	.	.	H	α-helix	trans	-57.9	-31.3	173.7	0	0	0	0	0	112.7	I383 A384 M475 V559 A560	I383-A556 HydrophobicContact CB-CB 3.95Å; I383-A556 HydrophobicContact CG2-CB 3.58Å; A384-A556 HydrophobicContact CB-CB 4.13Å; M475-A556 HydrophobicContact CE-CB 4.47Å; A556-V559 PolarHBondContact O-N 3.06Å; A556-A560 PolarHBondContact O-N 2.77Å
557	Q	98.5	Very high	96.2	Very high	96 Å²	96	49 Å²	49	45%	0.449	26%	0.257	S	S	.	.	H	α-helix	trans	-65.2	-46.5	174.3	180	58.3	31.3	0	0	111.7	A384 T555 V559 A560 E561	A384-Q557 HydrophobicContact CB-CB 4.26Å; T555-Q557 PolarHBondContact O-N 2.01Å; Q557-V559 VanDerWaalsContact C-N 3.26Å; Q557-V559 PolarHBondContact O-N 3.17Å; Q557-A560 WeakPolarHBondContact O-CB 3.29Å; Q557-A560 PolarHBondContact O-N 3.08Å; Q557-A560 VanDerWaalsContact O-N 3.14Å; Q557-E561 PolarHBondContact NE2-OE1 2.97Å; Q557-E561 WeakPolarHBondContact O-CG 3.24Å; Q557-E561 PolarHBondContact O-N 3.45Å
558	C	98.6	Very high	95.3	Very high	46 Å²	46	51.8 Å²	51.8	31%	0.311	27%	0.268	S	S	.	.	H	α-helix	trans	-60.6	-37.1	175.4	-64.4	0	0	0	0	111.9	L554 T555 E561 R562	L554-C558 HydrophobicContact CB-CB 4.27Å; L554-C558 HydrophobicContact CD2-CB 4.34Å; T555-C558 WeakPolarHBondContact O-CB 3.2Å; T555-C558 PolarHBondContact O-N 3.41Å; T555-C558 VanDerWaalsContact O-N 3.09Å; T555-C558 PolarHBondContact OG1-N 3.01Å; T555-C558 VanDerWaalsContact OG1-N 3.13Å; T555-C558 PolarHBondContact OG1-SG 2.88Å; C558-E561 PolarHBondContact O-N 2.88Å; C558-R562 WeakPolarHBondContact O-CG 3.48Å; C558-R562 PolarHBondContact O-N 3Å
559	V	98.8	Very high	94.4	Very high	0 Å²	0	53.9 Å²	53.9	0%	0	28%	0.281	C	S	.	.	H	α-helix	trans	-65.2	-45.2	174.7	178.1	0	0	0	0	110.8	A380 M475 L479 T541 C545 L554 T555 A556 Q557 E561 R562 F563	A380-V559 HydrophobicContact CB-CB 4.21Å; A380-V559 HydrophobicContact CB-CG1 3.81Å; M475-V559 HydrophobicContact CE-CB 4.01Å; M475-V559 HydrophobicContact CE-CG1 4.05Å; M475-V559 HydrophobicContact CE-CG2 3.72Å; L479-V559 HydrophobicContact CD1-CG1 4.2Å; T541-V559 HydrophobicContact CG2-CB 4.39Å; T541-V559 HydrophobicContact CG2-CG1 4Å; T541-V559 HydrophobicContact CG2-CG2 3.97Å; C545-V559 WeakPolarHBondContact SG-CG2 3.24Å; L554-V559 HydrophobicContact CB-CG2 3.99Å; L554-V559 HydrophobicContact CD1-CG2 4.15Å; T555-V559 WeakPolarHBondContact O-CG2 3.32Å; T555-V559 PolarHBondContact O-N 2.82Å; T555-V559 VanDerWaalsContact O-N 3.08Å; A556-V559 PolarHBondContact O-N 3.06Å; Q557-V559 VanDerWaalsContact C-N 3.26Å; Q557-V559 PolarHBondContact O-N 3.17Å; V559-E561 VanDerWaalsContact C-N 3.27Å; V559-E561 PolarHBondContact O-N 3.46Å; V559-R562 PolarHBondContact O-N 3.33Å; V559-F563 HydrophobicContact CG1-CD2 3.8Å; V559-F563 HydrophobicContact CG1-CE2 3.8Å; V559-F563 WeakPolarHBondContact O-CD2 3.26Å; V559-F563 PolarHBondContact O-N 3.33Å
560	A	98.5	Very high	93.5	Very high	5 Å²	5	53.1 Å²	53.1	4%	0.041	28%	0.276	C	S	.	.	H	α-helix	trans	-60.2	-37	176.7	0	0	0	0	0	112.5	A380 R381 A556 Q557 F563 S564	A380-A560 HydrophobicContact CB-CB 3.92Å; R381-A560 HydrophobicContact CG-CB 4.04Å; A556-A560 PolarHBondContact O-N 2.77Å; Q557-A560 WeakPolarHBondContact O-CB 3.29Å; Q557-A560 PolarHBondContact O-N 3.08Å; Q557-A560 VanDerWaalsContact O-N 3.14Å; A560-F563 PolarHBondContact O-N 2.93Å; A560-S564 PolarHBondContact O-N 2.79Å; A560-S564 PolarHBondContact O-OG 2.8Å
561	E	98.2	Very high	92.5	Very high	94 Å²	94	58.8 Å²	58.8	44%	0.439	29%	0.294	S	S	.	.	H	α-helix	trans	-63.7	-48.6	174.2	-73.4	164.3	-171.9	0	0	111.6	Q557 C558 V559 F563 S564 E565	Q557-E561 PolarHBondContact NE2-OE1 2.97Å; Q557-E561 WeakPolarHBondContact O-CG 3.24Å; Q557-E561 PolarHBondContact O-N 3.45Å; C558-E561 PolarHBondContact O-N 2.88Å; V559-E561 VanDerWaalsContact C-N 3.27Å; V559-E561 PolarHBondContact O-N 3.46Å; E561-F563 VanDerWaalsContact C-N 3.32Å; E561-F563 PolarHBondContact O-N 3.47Å; E561-S564 WeakPolarHBondContact O-CA 3.45Å; E561-S564 WeakPolarHBondContact O-CB 3.43Å; E561-S564 PolarHBondContact O-N 3.43Å; E561-E565 WeakPolarHBondContact O-CG 3.27Å; E561-E565 PolarHBondContact O-N 3.13Å
562	R	97.9	Very high	91.4	Very high	61 Å²	61	58.5 Å²	58.5	23%	0.23	30%	0.295	C	S	.	.	H	α-helix	trans	-58.7	-41.2	175.8	-71.4	-171.9	-177.7	-172.8	3.9	112.9	T541 E544 L554 C558 V559 S564 E565 L566	T541-R562 WeakPolarHBondContact OG1-CD 3.41Å; T541-R562 PolarHBondContact OG1-NH1 3.28Å; T541-R562 VanDerWaalsContact OG1-NH1 3.08Å; E544-R562 VanDerWaalsContact CD-NH2 3.29Å; E544-R562 IonicContact OE1-CZ 2.68Å; E544-R562 VanDerWaalsContact OE1-CZ 3.29Å; E544-R562 IonicContact OE1-NH1 3.58Å; E544-R562 PolarHBondContact OE1-NH1 2.94Å; E544-R562 IonicContact OE1-NH2 3.5Å; E544-R562 PolarHBondContact OE1-NH2 2.8Å; E544-R562 IonicContact OE2-CZ 3.58Å; E544-R562 IonicContact OE2-NH1 2.73Å; E544-R562 IonicContact OE2-NH2 3.5Å; E544-R562 PolarHBondContact OE2-NH2 3Å; L554-R562 VanDerWaalsContact CD1-CZ 3.5Å; C558-R562 WeakPolarHBondContact O-CG 3.48Å; C558-R562 PolarHBondContact O-N 3Å; V559-R562 PolarHBondContact O-N 3.33Å; R562-S564 VanDerWaalsContact C-N 3.28Å; R562-S564 PolarHBondContact O-N 3.18Å; R562-E565 PolarHBondContact O-N 3.25Å; R562-L566 PolarHBondContact O-N 3.05Å; R562-L566 VanDerWaalsContact O-N 3.13Å
563	F	97.1	Very high	90.1	Very high	3 Å²	3	59.3 Å²	59.3	1%	0.013	30%	0.298	C	S	.	.	H	α-helix	trans	-65.6	-30.8	174.6	-89.3	-81.6	0	0	0	113.2	R373 L479 V538 V559 A560 E561 L566 E567	R373-F563 HydrophobicContact CG-CD1 4.41Å; L479-F563 HydrophobicContact CD1-CE2 4.28Å; L479-F563 HydrophobicContact CD2-CE2 4.05Å; L479-F563 HydrophobicContact CD2-CZ 3.87Å; V538-F563 HydrophobicContact CG1-CZ 4.29Å; V538-F563 HydrophobicContact CG2-CE1 4.02Å; V538-F563 HydrophobicContact CG2-CZ 4.05Å; V559-F563 HydrophobicContact CG1-CD2 3.8Å; V559-F563 HydrophobicContact CG1-CE2 3.8Å; V559-F563 WeakPolarHBondContact O-CD2 3.26Å; V559-F563 PolarHBondContact O-N 3.33Å; A560-F563 PolarHBondContact O-N 2.93Å; E561-F563 VanDerWaalsContact C-N 3.32Å; E561-F563 PolarHBondContact O-N 3.47Å; F563-L566 HydrophobicContact CD1-CD1 4.28Å; F563-E567 PolarHBondContact O-N 3.2Å
564	S	94.1	Very high	88.2	Confident	44 Å²	44	60.9 Å²	60.9	31%	0.308	32%	0.32	S	S	.	.	H	α-helix	trans	-71.9	-38.4	175.2	-56.2	0	0	0	0	110.9	A560 E561 R562 L566 E567 H568	A560-S564 PolarHBondContact O-N 2.79Å; A560-S564 PolarHBondContact O-OG 2.8Å; E561-S564 WeakPolarHBondContact O-CA 3.45Å; E561-S564 WeakPolarHBondContact O-CB 3.43Å; E561-S564 PolarHBondContact O-N 3.43Å; R562-S564 VanDerWaalsContact C-N 3.28Å; R562-S564 PolarHBondContact O-N 3.18Å; S564-L566 PolarHBondContact O-N 2.76Å; S564-E567 WeakPolarHBondContact O-CB 3.16Å; S564-E567 PolarHBondContact O-N 3.35Å; S564-H568 PolarHBondContact O-CD2 3.49Å; S564-H568 PolarHBondContact O-N 2.98Å
565	E	92.1	Very high	86.2	Confident	117 Å²	117	68.9 Å²	68.9	55%	0.547	35%	0.348	S	S	.	.	H	α-helix	trans	-61.6	-40.4	174.3	-69.1	175.9	175.6	0	0	112.4	E561 R562 E567 H568 L569	E561-E565 WeakPolarHBondContact O-CG 3.27Å; E561-E565 PolarHBondContact O-N 3.13Å; R562-E565 PolarHBondContact O-N 3.25Å; E565-E567 VanDerWaalsContact C-N 3.28Å; E565-E567 PolarHBondContact O-N 2.81Å; E565-H568 PolarHBondContact O-N 2.93Å; E565-H568 VanDerWaalsContact O-N 3.15Å; E565-L569 WeakPolarHBondContact O-CG 3.02Å; E565-L569 PolarHBondContact O-N 3.17Å
566	L	88.8	Confident	83.7	Confident	9 Å²	9	70.5 Å²	70.5	5%	0.047	36%	0.362	C	S	.	.	H	α-helix	trans	-56	-42.4	172.6	-77	168.6	0	0	0	112.3	W369 M537 V538 R562 F563 S564 H568 L569 D570	W369-L566 HydrophobicContact CH2-CD1 4.01Å; W369-L566 HydrophobicContact CH2-CD2 4.14Å; W369-L566 HydrophobicContact CZ2-CD1 4.39Å; W369-L566 HydrophobicContact CZ2-CD2 4.05Å; M537-L566 HydrophobicContact CB-CD2 4.21Å; M537-L566 HydrophobicContact CE-CD1 4.47Å; M537-L566 HydrophobicContact CE-CD2 3.19Å; M537-L566 HydrophobicContact CE-CG 3.53Å; M537-L566 HydrophobicContact SD-CD1 3.7Å; M537-L566 HydrophobicContact SD-CD2 3.53Å; M537-L566 VanDerWaalsContact SD-CD2 3.53Å; M537-L566 HydrophobicContact SD-CG 3.36Å; M537-L566 WeakPolarHBondContact SD-CG 2.95Å; V538-L566 HydrophobicContact CG2-CD1 3.98Å; R562-L566 PolarHBondContact O-N 3.05Å; R562-L566 VanDerWaalsContact O-N 3.13Å; F563-L566 HydrophobicContact CD1-CD1 4.28Å; S564-L566 PolarHBondContact O-N 2.76Å; L566-H568 VanDerWaalsContact C-N 3.31Å; L566-H568 PolarHBondContact O-N 3.01Å; L566-L569 PolarHBondContact O-N 3.44Å; L566-D570 PolarHBondContact O-N 3.37Å; L566-D570 VanDerWaalsContact O-N 3.16Å
567	E	80.4	Confident	81.2	Confident	46 Å²	46	76.2 Å²	76.2	22%	0.215	40%	0.4	C	S	.	.	H	α-helix	trans	-62.1	-40.6	177.9	-173.8	155.5	-160.3	0	0	112.4	R373 F563 S564 E565 R571	R373-E567 VanDerWaalsContact CZ-CG 3.49Å; R373-E567 IonicContact CZ-OE1 3.16Å; R373-E567 IonicContact CZ-OE2 2.68Å; R373-E567 VanDerWaalsContact NH1-CG 3.31Å; R373-E567 IonicContact NH1-OE1 3.84Å; R373-E567 PolarHBondContact NH1-OE1 2.92Å; R373-E567 IonicContact NH1-OE2 2.92Å; R373-E567 PolarHBondContact NH1-OE2 3.49Å; R373-E567 IonicContact NH2-OE1 2.67Å; R373-E567 PolarHBondContact NH2-OE1 3.26Å; R373-E567 IonicContact NH2-OE2 3.59Å; F563-E567 PolarHBondContact O-N 3.2Å; S564-E567 WeakPolarHBondContact O-CB 3.16Å; S564-E567 PolarHBondContact O-N 3.35Å; E565-E567 VanDerWaalsContact C-N 3.28Å; E565-E567 PolarHBondContact O-N 2.81Å; E567-R571 VanDerWaalsContact O-CG 3.3Å; E567-R571 WeakPolarHBondContact O-CG 2.95Å; E567-R571 PolarHBondContact O-N 3.03Å; E567-R571 IonicContact OE1-CZ 2.77Å; E567-R571 IonicContact OE1-NE 3.82Å; E567-R571 IonicContact OE1-NH2 3.53Å; E567-R571 PolarHBondContact OE1-NH2 3.32Å
568	H	79.4	Confident	78.6	Confident	122 Å²	122	75.7 Å²	75.7	57%	0.565	41%	0.407	S	S	*	.	H	α-helix	trans	-68.3	-42.6	-180	-75.3	-67.6	0	0	0	111.8	S564 E565 L566 R571 L572	S564-H568 PolarHBondContact O-CD2 3.49Å; S564-H568 PolarHBondContact O-N 2.98Å; E565-H568 PolarHBondContact O-N 2.93Å; E565-H568 VanDerWaalsContact O-N 3.15Å; L566-H568 VanDerWaalsContact C-N 3.31Å; L566-H568 PolarHBondContact O-N 3.01Å; H568-R571 PolarHBondContact O-N 3.39Å; H568-L572 WeakPolarHBondContact O-CG 3.31Å; H568-L572 PolarHBondContact O-N 3.32Å; H568-L572 VanDerWaalsContact O-N 3.16Å
569	L	79.1	Confident	76.1	Confident	102 Å²	102	82.4 Å²	82.4	53%	0.534	43%	0.434	S	S	.	.	H	α-helix	trans	-64.8	-40.9	179.9	-70	171.6	0	0	0	112.4	M537 E565 L566 L572 S573	M537-L569 HydrophobicContact CE-CD1 4.35Å; E565-L569 WeakPolarHBondContact O-CG 3.02Å; E565-L569 PolarHBondContact O-N 3.17Å; L566-L569 PolarHBondContact O-N 3.44Å; L569-L572 PolarHBondContact O-N 2.61Å; L569-S573 PolarHBondContact O-N 2.87Å; L569-S573 PolarHBondContact O-OG 2.82Å
570	D	76.2	Confident	73.5	Confident	63 Å²	63	91 Å²	91	34%	0.337	47%	0.474	S	S	.	.	H	α-helix	trans	-66.2	-38.6	176.3	-83.7	-6.5	0	0	0	112.8	W369 L566 L572 S573 G574	W369-D570 PolarHBondContact NE1-OD2 3.22Å; L566-D570 PolarHBondContact O-N 3.37Å; L566-D570 VanDerWaalsContact O-N 3.16Å; D570-L572 VanDerWaalsContact C-N 3.26Å; D570-L572 PolarHBondContact O-N 3.12Å; D570-S573 WeakPolarHBondContact CA-OG 3.32Å; D570-S573 PolarHBondContact O-N 2.61Å; D570-S573 PolarHBondContact O-OG 3.42Å; D570-G574 PolarHBondContact O-N 2.8Å
571	R	77.1	Confident	70.6	Confident	150 Å²	150	100.8 Å²	100.8	57%	0.566	52%	0.516	S	S	*	.	H	α-helix	trans	-64.8	-32.6	175.9	-73.4	177.2	-176.6	-159.5	5.1	112.1	E567 H568 R575	E567-R571 VanDerWaalsContact O-CG 3.3Å; E567-R571 WeakPolarHBondContact O-CG 2.95Å; E567-R571 PolarHBondContact O-N 3.03Å; E567-R571 IonicContact OE1-CZ 2.77Å; E567-R571 IonicContact OE1-NE 3.82Å; E567-R571 IonicContact OE1-NH2 3.53Å; E567-R571 PolarHBondContact OE1-NH2 3.32Å; H568-R571 PolarHBondContact O-N 3.39Å; R571-R575 WeakPolarHBondContact O-CG 3.17Å; R571-R575 PolarHBondContact O-N 3.31Å
572	L	73.3	Confident	68.1	Low	113 Å²	113	103.3 Å²	103.3	59%	0.592	53%	0.531	S	S	*	.	H	α-helix	trans	-75.7	-42.4	177.2	-69.4	171.5	0	0	0	111.8	H568 L569 D570 R575 S576	H568-L572 WeakPolarHBondContact O-CG 3.31Å; H568-L572 PolarHBondContact O-N 3.32Å; H568-L572 VanDerWaalsContact O-N 3.16Å; L569-L572 PolarHBondContact O-N 2.61Å; D570-L572 VanDerWaalsContact C-N 3.26Å; D570-L572 PolarHBondContact O-N 3.12Å; L572-R575 PolarHBondContact O-N 2.76Å; L572-S576 PolarHBondContact O-N 3.1Å
573	S	69.4	Low	65.3	Low	68 Å²	68	105.8 Å²	105.8	48%	0.476	56%	0.555	S	S	.	*	H	α-helix	trans	-65.4	-39.3	177.3	67.1	0	0	0	0	112.1	L569 D570 R575 S576	L569-S573 PolarHBondContact O-N 2.87Å; L569-S573 PolarHBondContact O-OG 2.82Å; D570-S573 WeakPolarHBondContact CA-OG 3.32Å; D570-S573 PolarHBondContact O-N 2.61Å; D570-S573 PolarHBondContact O-OG 3.42Å; S573-R575 VanDerWaalsContact C-N 3.33Å; S573-R575 PolarHBondContact O-N 3.49Å; S573-S576 PolarHBondContact O-N 2.9Å
574	G	59.4	Low	62.6	Low	50 Å²	50	115 Å²	115	52%	0.515	60%	0.598	S	S	.	*	H	α-helix	trans	-65.5	-30.6	176	0	0	0	0	0	114.3	D570	D570-G574 PolarHBondContact O-N 2.8Å
575	R	55.6	Low	60	Low	195 Å²	195	120.9 Å²	120.9	74%	0.736	63%	0.626	S	S	*	*	H	α-helix	trans	-76.9	-25.1	175.4	-76.6	178.2	178.3	-173.2	-0.3	113.5	R571 L572 S573 C577 S578	R571-R575 WeakPolarHBondContact O-CG 3.17Å; R571-R575 PolarHBondContact O-N 3.31Å; L572-R575 PolarHBondContact O-N 2.76Å; S573-R575 VanDerWaalsContact C-N 3.33Å; S573-R575 PolarHBondContact O-N 3.49Å; R575-C577 VanDerWaalsContact C-N 3.28Å; R575-C577 PolarHBondContact O-N 3.3Å; R575-S578 PolarHBondContact O-OG 3.22Å
576	S	46.1	Very low	57.4	Low	95 Å²	95	118.1 Å²	118.1	66%	0.664	63%	0.629	S	S	*	*	H	α-helix	trans	-73.6	-17.2	177.4	-171.6	0	0	0	0	113.4	L572 S573	L572-S576 PolarHBondContact O-N 3.1Å; S573-S576 PolarHBondContact O-N 2.9Å
577	C	46.1	Very low	54.9	Low	121 Å²	121	122.8 Å²	122.8	82%	0.818	66%	0.662	S	S	*	*	T	Hydrogen-bonded Turn	trans	-91.7	-1.5	178	-72.9	0	0	0	0	114	R575	R575-C577 VanDerWaalsContact C-N 3.28Å; R575-C577 PolarHBondContact O-N 3.3Å
578	S	45	Very low	52.8	Low	86 Å²	86	128.7 Å²	128.7	60%	0.601	70%	0.695	S	S	*	*			trans	-109.1	62.1	174.7	58.3	0	0	0	0	110.6	R575	R575-S578 PolarHBondContact O-OG 3.22Å
579	E	45.8	Very low	50.8	Low	186 Å²	186	130.1 Å²	130.1	87%	0.869	71%	0.706	S	S	*	*			trans	-77.2	128.9	162.3	-88.4	-176	160.9	0	0	109.9
580	E	44.7	Very low	49	Very low	181 Å²	181	131.2 Å²	131.2	85%	0.846	72%	0.718	S	S	*	*			trans	-56.7	131.4	-175.9	-67.4	168.4	134.2	0	0	112.5	I582	E580-I582 PolarHBondContact O-N 3.38Å
581	K	38	Very low	47.4	Very low	211 Å²	211	134.7 Å²	134.7	92%	0.917	74%	0.741	S	S	*	*			trans	-68.9	99.7	160.7	-122.3	177.3	-177.3	178.5	0	107.8
582	I	44.1	Very low	45.5	Very low	147 Å²	147	141 Å²	141	75%	0.754	77%	0.773	S	S	*	*			trans	-58.3	128.8	168.9	-59.1	169.3	0	0	0	108.2	E580 E584	E580-I582 PolarHBondContact O-N 3.38Å; I582-E584 PolarHBondContact O-N 3.42Å
583	P	40.2	Very low	44.1	Very low	112 Å²	112	142.5 Å²	142.5	73%	0.727	78%	0.782	S	S	*	*			trans	-71.9	125.6	170.2	-4.1	20.3	0	0	0	109.1	D585	P583-D585 PolarHBondContact O-N 2.94Å; P583-D585 VanDerWaalsContact O-N 3.11Å
584	E	39.8	Very low	42.8	Very low	197 Å²	197	146.4 Å²	146.4	92%	0.921	80%	0.798	S	S	*	*			trans	-60.9	110.3	165.4	-77.1	-172.4	149.3	0	0	109	I582	I582-E584 PolarHBondContact O-N 3.42Å
585	D	39.6	Very low	41.9	Very low	167 Å²	167	151.7 Å²	151.7	89%	0.893	81%	0.814	S	S	*	*			trans	-78.7	119.1	171.6	-156.7	9.6	0	0	0	109.1	P583	P583-D585 PolarHBondContact O-N 2.94Å; P583-D585 VanDerWaalsContact O-N 3.11Å
586	G	38.4	Very low	41.1	Very low	60 Å²	60	149.2 Å²	149.2	62%	0.619	82%	0.818	S	S	*	*			trans	-88.1	142.7	-179.4	0	0	0	0	0	112.1
587	S	35.3	Very low	40.8	Very low	107 Å²	107	152.6 Å²	152.6	75%	0.748	83%	0.828	S	S	*	*			trans	76.5	95.3	153.1	-174.3	0	0	0	0	118.1	N589	S587-N589 PolarHBondContact O-N 3.2Å
588	L	37.3	Very low	40.4	Very low	170 Å²	170	154.7 Å²	154.7	89%	0.89	83%	0.829	S	S	*	*	P	Polyproline II helix	trans	-51.9	120.2	148.4	-94.4	89.9	0	0	0	110.6
589	N	37.3	Very low	40.1	Very low	152 Å²	152	159.6 Å²	159.6	81%	0.813	85%	0.845	S	S	*	*	P	Polyproline II helix	trans	-94.3	118.2	154.2	-98.9	-21.6	0	0	0	109.1	S587	S587-N589 PolarHBondContact O-N 3.2Å
590	T	40.5	Very low	39.7	Very low	125 Å²	125	157.5 Å²	157.5	77%	0.767	84%	0.843	S	S	*	*	P	Polyproline II helix	trans	-65.6	127.3	169.3	43.3	0	0	0	0	111.6
591	T	42.6	Very low	39.2	Very low	136 Å²	136	155.6 Å²	155.6	83%	0.834	84%	0.843	S	S	*	*			trans	-151.7	112.9	142.3	15.1	0	0	0	0	111.1
592	K	37.9	Very low	39.4	Very low	283 Å²	283	150.5 Å²	150.5	100%	1.23	84%	0.836	S	S	*	*			trans	70.3	0	163.8	-72.9	-174.4	177	178.9	0	119.7

Retrieved 592 of 592 residues in 109.9 ms (Link to these results)

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