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Activin receptor type-1C

Serine/threonine protein kinase which forms a receptor complex on ligand binding. The receptor complex consists of 2 type II and 2 type I transmembrane serine/threonine kinases. Type II receptors phosphorylate and activate type I receptors which autophosphorylate, then bind and activate SMAD transcriptional regulators, SMAD2 and SMAD3. Receptor for activin AB, activin B, activin E and NODAL. Upon NODAL binding, activation results in increased apoptosis and reduced proliferation through suppression of AKT signaling and the activation of Smad2-dependent signaling pathway in pancreatic beta-cells, trophoblasts, epithelial or neuronal cells. Acts as a positive regulator for macrophage activation partially through down-regulation of PPARG expression.

AlphaFold DB (A0A0D9RTS1), UniProt , Accession A0A096NCC4, Species PAPAN (Papio anubis, Olive baboon), Gene ACVR1C, Length 443 aa.

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(Predicted Aligned Error values between residue pairs)

Download Structure PDB PAE Table

Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	43.3	Very low	43.7	Very low	200 Å²	200	140.9 Å²	140.9	99%	0.985	74%	0.735	S	S	*	*				0	136.4	0	-110.7	177.1	173.2	0	0	107.2
2	L	36.6	Very low	44.1	Very low	119 Å²	119	137.8 Å²	137.8	62%	0.623	73%	0.734	S	S	*	*	E	Extended strand (participates in β ladder)	trans	-85.3	109.5	164.7	-82.8	153	0	0	0	107.1	E7	L2-E7 HydrophobicContact CD2-CB 4.27Å
3	T	45.4	Very low	44.4	Very low	86 Å²	86	136.9 Å²	136.9	53%	0.528	74%	0.743	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-104.6	117.3	164.7	17.2	0	0	0	0	106.7	G5	T3-G5 PolarHBondContact O-N 3.39Å
4	N	37.8	Very low	45	Very low	171 Å²	171	135.4 Å²	135.4	91%	0.914	74%	0.74	S	S	*	*	T	Hydrogen-bonded Turn	trans	60	38.8	-178.4	-57.6	-12.3	0	0	0	115.8	K6	N4-K6 VanDerWaalsContact C-N 3.33Å; N4-K6 PolarHBondContact O-N 3.19Å
5	G	48.1	Very low	45.3	Very low	68 Å²	68	132.6 Å²	132.6	70%	0.701	73%	0.734	S	S	*	*	T	Hydrogen-bonded Turn	trans	73.7	12.8	167.8	0	0	0	0	0	116.5	T3	T3-G5 PolarHBondContact O-N 3.39Å
6	K	40.8	Very low	45.7	Very low	174 Å²	174	135.1 Å²	135.1	76%	0.757	75%	0.745	S	S	*	*	E	Extended strand (participates in β ladder)	trans	-118.5	132	164.6	-80.3	-176.1	176.3	179	0	110.6	N4 Q8	N4-K6 VanDerWaalsContact C-N 3.33Å; N4-K6 PolarHBondContact O-N 3.19Å; K6-Q8 PolarHBondContact O-N 3.28Å
7	E	45.7	Very low	46.1	Very low	166 Å²	166	134.1 Å²	134.1	78%	0.776	75%	0.746	S	S	*	*	E	Extended strand (participates in β ladder)	trans	-68.5	111	-177.7	-161.7	175.6	-147.3	0	0	109.4	L2	L2-E7 HydrophobicContact CD2-CB 4.27Å
8	Q	40.9	Very low	46.5	Very low	125 Å²	125	136.2 Å²	136.2	58%	0.584	75%	0.749	S	S	*	*			trans	-96.9	115	171.1	-101.4	-171.3	1.2	0	0	110	K6	K6-Q8 PolarHBondContact O-N 3.28Å
9	V	47.5	Very low	46.7	Very low	101 Å²	101	133.5 Å²	133.5	61%	0.612	73%	0.733	S	S	*	*			trans	-95.2	109.2	170.6	-175.3	0	0	0	0	107.8	K11	V9-K11 HydrophobicContact CG1-CG 3.75Å
10	I	49.5	Very low	47.1	Very low	156 Å²	156	136 Å²	136	80%	0.8	75%	0.745	S	S	*	*			trans	-90	107.5	167.2	-59.5	175.7	0	0	0	106.6
11	K	45.4	Very low	47.5	Very low	184 Å²	184	132 Å²	132	80%	0.8	73%	0.731	S	S	*	*			trans	-91.6	127.2	171.4	-61.4	-174.6	-178.7	179.4	0	108.3	V9	V9-K11 HydrophobicContact CG1-CG 3.75Å
12	S	48.3	Very low	48.2	Very low	104 Å²	104	129.9 Å²	129.9	73%	0.727	72%	0.718	S	S	*	*			trans	-119.1	135	165.7	137	0	0	0	0	107.7
13	C	48.3	Very low	49.2	Very low	126 Å²	126	127 Å²	127	85%	0.851	71%	0.706	S	S	*	*	P	Polyproline II helix	trans	-95.4	129.2	176.2	-66.4	0	0	0	0	108.7
14	V	53.1	Low	49.7	Very low	116 Å²	116	127.8 Å²	127.8	70%	0.703	70%	0.702	S	S	*	*	P	Polyproline II helix	trans	-92.4	118.3	167.4	-177.1	0	0	0	0	107.7
15	S	48.6	Very low	50.7	Low	93 Å²	93	123 Å²	123	65%	0.65	68%	0.681	S	S	*	*	P	Polyproline II helix	trans	-78.7	136.1	175.7	47	0	0	0	0	111.3	P17	S15-P17 WeakPolarHBondContact O-CD 3.44Å
16	L	52.2	Low	51	Low	173 Å²	173	127 Å²	127	91%	0.906	68%	0.681	S	S	*	*	T	Hydrogen-bonded Turn	trans	-61.4	-8.6	-166.4	-116.5	80.3	0	0	0	120.9
17	P	52.2	Low	51.5	Low	117 Å²	117	121.9 Å²	121.9	76%	0.76	67%	0.668	S	S	*	*	T	Hydrogen-bonded Turn	trans	-85.6	-8.1	-174.9	-14.4	30.8	0	0	0	117.6	S15	S15-P17 WeakPolarHBondContact O-CD 3.44Å
18	E	52.9	Low	51.9	Low	173 Å²	173	118.3 Å²	118.3	81%	0.808	66%	0.661	S	S	*	*	S	Bend	trans	-115.7	11.9	-165.6	-74.7	-173.6	163.4	0	0	116.9
19	L	51.2	Low	52.3	Low	85 Å²	85	119.8 Å²	119.8	45%	0.445	67%	0.673	S	S	.	*			trans	-117.6	83.8	174.2	-101.8	77.9	0	0	0	112.5	A21 V23 F38	L19-A21 PolarHBondContact O-N 2.92Å; L19-V23 HydrophobicContact CD2-CG2 3.26Å; L19-F38 HydrophobicContact CD1-CE1 4.45Å; L19-F38 HydrophobicContact CD1-CZ 4.11Å; L19-F38 HydrophobicContact CD2-CE1 3.42Å; L19-F38 VanDerWaalsContact CD2-CE1 3.42Å; L19-F38 HydrophobicContact CD2-CZ 3.66Å; L19-F38 HydrophobicContact CG-CE1 3.75Å; L19-F38 HydrophobicContact CG-CZ 3.92Å
20	N	54.5	Low	52.4	Low	183 Å²	183	123.1 Å²	123.1	98%	0.979	69%	0.687	S	S	*	*			trans	-80.1	36.1	159.5	-88.9	-22.7	0	0	0	111.9
21	A	55.5	Low	52.6	Low	53 Å²	53	120 Å²	120	44%	0.438	68%	0.675	S	S	.	*	S	Bend	trans	-142.1	131.9	178.3	0	0	0	0	0	110.4	L19 V23 F38	L19-A21 PolarHBondContact O-N 2.92Å; A21-V23 PolarHBondContact O-N 3.17Å; A21-F38 HydrophobicContact CB-CD1 3.94Å; A21-F38 HydrophobicContact CB-CE1 4.12Å
22	Q	57	Low	53	Low	155 Å²	155	118.6 Å²	118.6	72%	0.724	68%	0.682	S	S	*	*			trans	-64.6	123	178	-75.3	175.6	-8	0	0	110.1	F24	Q22-F24 HydrophobicContact CB-CE2 3.77Å; Q22-F24 HydrophobicContact CB-CZ 3.84Å
23	V	58.8	Low	53.1	Low	59 Å²	59	120.6 Å²	120.6	36%	0.358	68%	0.678	S	S	.	*			trans	-96.1	130.3	173.9	179.4	0	0	0	0	108.6	L19 A21 C36 F38	L19-V23 HydrophobicContact CD2-CG2 3.26Å; A21-V23 PolarHBondContact O-N 3.17Å; V23-C36 HydrophobicContact CG1-CB 3.76Å; V23-F38 HydrophobicContact CG2-CD1 3.83Å; V23-F38 HydrophobicContact CG2-CE1 3.43Å; V23-F38 VanDerWaalsContact CG2-CE1 3.43Å; V23-F38 HydrophobicContact CG2-CZ 4.15Å
24	F	56.4	Low	53.4	Low	101 Å²	101	118.4 Å²	118.4	44%	0.443	66%	0.66	S	S	.	*	B	Isolated β-bridge	trans	-109.9	127.6	176.4	-59.8	-85.4	0	0	0	109	Q22 C37	Q22-F24 HydrophobicContact CB-CE2 3.77Å; Q22-F24 HydrophobicContact CB-CZ 3.84Å; F24-C37 PolarHBondContact N-O 2.76Å
25	C	57.3	Low	53.4	Low	71 Å²	71	118 Å²	118	48%	0.48	65%	0.651	S	S	.	*			trans	-125.5	120.2	177.7	-53	0	0	0	0	108.5	C36	C25-C36 HydrophobicContact CB-CB 4.24Å; C25-C36 WeakPolarHBondContact CB-SG 3.36Å; C25-C36 WeakPolarHBondContact SG-CB 3.46Å; C25-C36 CovalentContact SG-SG 2.04Å; C25-C36 PolarHBondContact SG-SG 3.18Å
26	H	54.4	Low	54	Low	151 Å²	151	117.1 Å²	117.1	70%	0.699	64%	0.644	S	S	*	*			trans	-124	129.8	176.6	-135.1	-68.4	0	0	0	110.5	N43	H26-N43 PolarHBondContact O-ND2 3.26Å; H26-N43 VanDerWaalsContact O-ND2 3.07Å
27	S	52.4	Low	54.5	Low	68 Å²	68	110 Å²	110	48%	0.476	61%	0.608	S	S	.	*			trans	-111.3	145.4	171.4	-178.5	0	0	0	0	109.2
28	S	53.5	Low	55	Low	90 Å²	90	110.3 Å²	110.3	63%	0.629	60%	0.598	S	S	*	*			trans	-107.1	149.4	173	-159.7	0	0	0	0	109.4	N30 V31	S28-N30 PolarHBondContact O-N 2.63Å; S28-V31 PolarHBondContact O-N 3.12Å
29	N	48.9	Very low	55	Low	157 Å²	157	106.6 Å²	106.6	84%	0.84	59%	0.587	S	S	*	*	T	Hydrogen-bonded Turn	trans	-61.4	125	179.8	-75.4	-20.1	0	0	0	109.7
30	N	50.8	Low	55.1	Low	170 Å²	170	107.8 Å²	107.8	91%	0.909	59%	0.594	S	S	*	*	T	Hydrogen-bonded Turn	trans	88.3	22.6	-179.2	-53.9	-25.6	0	0	0	117.9	S28	S28-N30 PolarHBondContact O-N 2.63Å
31	V	52.2	Low	55.1	Low	92 Å²	92	107 Å²	107	56%	0.558	58%	0.582	S	S	*	*			trans	-118.6	133.4	167.2	-172.6	0	0	0	0	110.7	S28	S28-V31 PolarHBondContact O-N 3.12Å
32	T	54.3	Low	55.1	Low	154 Å²	154	107.4 Å²	107.4	95%	0.945	58%	0.581	S	S	*	*			trans	-97.4	8.9	-173.4	50	0	0	0	0	114.8
33	K	51.3	Low	55.2	Low	146 Å²	146	103.6 Å²	103.6	64%	0.635	57%	0.566	S	S	*	*			trans	-130	126.4	176.1	-161.7	-171.2	-174.3	-159	0	110.4	E35	K33-E35 WeakPolarHBondContact CE-OE1 3.45Å; K33-E35 IonicContact NZ-OE1 2.65Å; K33-E35 PolarHBondContact NZ-OE1 3.06Å
34	T	53.7	Low	55	Low	79 Å²	79	107.1 Å²	107.1	49%	0.485	58%	0.583	S	S	.	*			trans	-112.7	124.3	174.3	-46.2	0	0	0	0	108.7
35	E	54.3	Low	55	Low	108 Å²	108	109.1 Å²	109.1	51%	0.505	60%	0.596	S	S	.	*			trans	-113.9	140.3	169.7	-75.7	-176.1	-178.6	0	0	108.8	K33	K33-E35 WeakPolarHBondContact CE-OE1 3.45Å; K33-E35 IonicContact NZ-OE1 2.65Å; K33-E35 PolarHBondContact NZ-OE1 3.06Å
36	C	60.6	Low	54.6	Low	74 Å²	74	110.7 Å²	110.7	50%	0.5	60%	0.604	S	S	.	*			trans	-113.4	141.1	-178.1	-63.7	0	0	0	0	109.8	V23 C25	V23-C36 HydrophobicContact CG1-CB 3.76Å; C25-C36 HydrophobicContact CB-CB 4.24Å; C25-C36 WeakPolarHBondContact CB-SG 3.36Å; C25-C36 WeakPolarHBondContact SG-CB 3.46Å; C25-C36 CovalentContact SG-SG 2.04Å; C25-C36 PolarHBondContact SG-SG 3.18Å
37	C	61.6	Low	54.2	Low	24 Å²	24	111.1 Å²	111.1	16%	0.162	61%	0.61	C	S	.	*	B	Isolated β-bridge	trans	-146.8	167.9	-173.6	52.2	0	0	0	0	110.4	F24 T39 C42	F24-C37 PolarHBondContact N-O 2.76Å; C37-T39 PolarHBondContact SG-O 3.25Å; C37-C42 HydrophobicContact CB-CB 3.84Å; C37-C42 WeakPolarHBondContact CB-SG 3.42Å; C37-C42 WeakPolarHBondContact SG-CB 3.3Å; C37-C42 CovalentContact SG-SG 2Å; C37-C42 PolarHBondContact SG-SG 2.92Å
38	F	62.8	Low	53.7	Low	123 Å²	123	116 Å²	116	54%	0.539	63%	0.625	S	S	.	*	S	Bend	trans	-92.1	7.9	-174.9	-62.5	-79.9	0	0	0	113.9	L19 A21 V23	L19-F38 HydrophobicContact CD1-CE1 4.45Å; L19-F38 HydrophobicContact CD1-CZ 4.11Å; L19-F38 HydrophobicContact CD2-CE1 3.42Å; L19-F38 VanDerWaalsContact CD2-CE1 3.42Å; L19-F38 HydrophobicContact CD2-CZ 3.66Å; L19-F38 HydrophobicContact CG-CE1 3.75Å; L19-F38 HydrophobicContact CG-CZ 3.92Å; A21-F38 HydrophobicContact CB-CD1 3.94Å; A21-F38 HydrophobicContact CB-CE1 4.12Å; V23-F38 HydrophobicContact CG2-CD1 3.83Å; V23-F38 HydrophobicContact CG2-CE1 3.43Å; V23-F38 VanDerWaalsContact CG2-CE1 3.43Å; V23-F38 HydrophobicContact CG2-CZ 4.15Å
39	T	53.5	Low	53.1	Low	95 Å²	95	119.6 Å²	119.6	58%	0.583	64%	0.637	S	S	*	*	S	Bend	trans	-134.9	149.8	178.3	54.9	0	0	0	0	110.4	C37	C37-T39 PolarHBondContact SG-O 3.25Å
40	D	53.6	Low	52.7	Low	111 Å²	111	118 Å²	118	59%	0.594	64%	0.635	S	S	*	*	T	Hydrogen-bonded Turn	trans	-70.6	142.5	-176.4	-133.5	4	0	0	0	111.7	C42	D40-C42 PolarHBondContact O-N 3.42Å
41	F	53.5	Low	52.2	Low	167 Å²	167	116.6 Å²	116.6	73%	0.732	63%	0.633	S	S	*	*	T	Hydrogen-bonded Turn	trans	63.7	24.6	178.2	-55.8	-85	0	0	0	118.4	N43	F41-N43 VanDerWaalsContact C-N 3.27Å; F41-N43 PolarHBondContact O-N 2.84Å
42	C	56.8	Low	51.4	Low	60 Å²	60	117.1 Å²	117.1	41%	0.405	65%	0.647	S	S	.	*	T	Hydrogen-bonded Turn	trans	-67.1	-18	-174.6	77.6	0	0	0	0	116	C37 D40 N44	C37-C42 HydrophobicContact CB-CB 3.84Å; C37-C42 WeakPolarHBondContact CB-SG 3.42Å; C37-C42 WeakPolarHBondContact SG-CB 3.3Å; C37-C42 CovalentContact SG-SG 2Å; C37-C42 PolarHBondContact SG-SG 2.92Å; D40-C42 PolarHBondContact O-N 3.42Å; C42-N44 PolarHBondContact O-N 2.87Å
43	N	58.8	Low	50.6	Low	75 Å²	75	115 Å²	115	40%	0.401	64%	0.638	S	S	.	*	T	Hydrogen-bonded Turn	trans	-97.2	28.6	-175.5	42.3	-38.2	0	0	0	113.6	H26 F41 I45	H26-N43 PolarHBondContact O-ND2 3.26Å; H26-N43 VanDerWaalsContact O-ND2 3.07Å; F41-N43 VanDerWaalsContact C-N 3.27Å; F41-N43 PolarHBondContact O-N 2.84Å; N43-I45 VanDerWaalsContact C-N 3.29Å; N43-I45 PolarHBondContact O-N 3.33Å
44	N	54.6	Low	50.5	Low	134 Å²	134	113.2 Å²	113.2	72%	0.717	64%	0.642	S	S	*	*			trans	-79.8	66.2	177.9	-166.6	19	0	0	0	112.9	C42	C42-N44 PolarHBondContact O-N 2.87Å
45	I	55.9	Low	50.1	Low	142 Å²	142	117.5 Å²	117.5	73%	0.728	66%	0.662	S	S	*	*			trans	-122.4	100.6	167.9	-58	175.6	0	0	0	108.6	N43 L47	N43-I45 VanDerWaalsContact C-N 3.29Å; N43-I45 PolarHBondContact O-N 3.33Å; I45-L47 PolarHBondContact O-N 3.42Å
46	T	48.3	Very low	49.7	Very low	104 Å²	104	116.5 Å²	116.5	64%	0.638	67%	0.671	S	S	*	*			trans	-78.2	96.8	179	-28.5	0	0	0	0	110	H48	T46-H48 PolarHBondContact O-N 3.45Å
47	L	46.1	Very low	49	Very low	160 Å²	160	118.8 Å²	118.8	84%	0.838	69%	0.685	S	S	*	*			trans	-84.7	107.7	170.4	-83.2	159.8	0	0	0	109.7	I45	I45-L47 PolarHBondContact O-N 3.42Å
48	H	42.9	Very low	48.5	Very low	170 Å²	170	127.8 Å²	127.8	79%	0.787	72%	0.722	S	S	*	*	P	Polyproline II helix	trans	-75.3	129.7	171.2	-73.4	-84.8	0	0	0	110.7	T46	T46-H48 PolarHBondContact O-N 3.45Å
49	L	41.1	Very low	48.1	Very low	166 Å²	166	125.2 Å²	125.2	87%	0.869	71%	0.714	S	S	*	*	P	Polyproline II helix	trans	-81.1	142.2	168.2	-82.2	155.3	0	0	0	110.3
50	P	40	Very low	48.8	Very low	123 Å²	123	122 Å²	122	80%	0.799	70%	0.699	S	S	*	*	P	Polyproline II helix	trans	-67.4	134.6	-171.3	-16.7	30	0	0	0	113.5
51	T	39.7	Very low	49.2	Very low	141 Å²	141	122.5 Å²	122.5	87%	0.865	71%	0.709	S	S	*	*	P	Polyproline II helix	trans	-58.2	127.5	164.9	31.8	0	0	0	0	112
52	A	36.5	Very low	49.4	Very low	104 Å²	104	122 Å²	122	86%	0.86	71%	0.71	S	S	*	*	P	Polyproline II helix	trans	-65.1	133.2	165.5	0	0	0	0	0	110.5
53	S	37	Very low	49.8	Very low	109 Å²	109	123.8 Å²	123.8	76%	0.762	71%	0.713	S	S	*	*	P	Polyproline II helix	trans	-76	164.9	-177.3	77.7	0	0	0	0	112.9
54	P	48.6	Very low	50.3	Low	109 Å²	109	124.4 Å²	124.4	71%	0.708	72%	0.716	S	S	*	*	S	Bend	trans	-83.8	129.1	-159.9	34.7	-30.1	0	0	0	111
55	N	46.6	Very low	51	Low	169 Å²	169	120.3 Å²	120.3	90%	0.904	70%	0.7	S	S	*	*			trans	172.5	85.9	145.6	-84.9	-22.6	0	0	0	108.5
56	A	44.9	Very low	51.8	Low	86 Å²	86	118.1 Å²	118.1	71%	0.711	69%	0.689	S	S	*	*	S	Bend	trans	-148.2	141.3	162.1	0	0	0	0	0	107.8	K58	A56-K58 PolarHBondContact O-N 2.92Å
57	P	46.8	Very low	53	Low	122 Å²	122	118 Å²	118	79%	0.792	68%	0.683	S	S	*	*			trans	-60.3	132.5	-170.4	24.9	-32.4	0	0	0	110	L59	P57-L59 VanDerWaalsContact C-N 3.33Å; P57-L59 PolarHBondContact O-N 3.08Å
58	K	50.2	Low	54.5	Low	213 Å²	213	115.1 Å²	115.1	93%	0.926	67%	0.668	S	S	*	*			trans	-67.4	95.2	174.7	-73.6	-175.2	179.3	178.3	0	108.5	A56	A56-K58 PolarHBondContact O-N 2.92Å
59	L	55.4	Low	56.1	Low	70 Å²	70	110.6 Å²	110.6	37%	0.366	65%	0.652	S	S	.	*			trans	-71.7	127.8	168.7	-149.5	77.3	0	0	0	108.3	P57 E63 L64 I67	P57-L59 VanDerWaalsContact C-N 3.33Å; P57-L59 PolarHBondContact O-N 3.08Å; L59-E63 HydrophobicContact CD1-CB 4.21Å; L59-E63 VanDerWaalsContact CD1-OE2 3.27Å; L59-E63 WeakPolarHBondContact CD1-OE2 3.32Å; L59-E63 HydrophobicContact CD2-CB 3.71Å; L59-E63 HydrophobicContact CG-CB 3.51Å; L59-E63 HydrophobicContact CG-CG 4.36Å; L59-E63 VanDerWaalsContact CG-OE2 3.26Å; L59-E63 WeakPolarHBondContact CG-OE2 3.34Å; L59-L64 HydrophobicContact CB-CD1 4.35Å; L59-L64 HydrophobicContact CD2-CD1 4.44Å; L59-I67 HydrophobicContact CD2-CD1 3.26Å; L59-I67 HydrophobicContact CD2-CG1 4.28Å
60	G	67.1	Low	58	Low	27 Å²	27	106 Å²	106	28%	0.278	63%	0.631	S	S	.	*			trans	-63.1	157.1	-173.7	0	0	0	0	0	112.1	M62 E63 L64	G60-M62 PolarHBondContact O-N 3.45Å; G60-E63 PolarHBondContact N-OE2 3.42Å; G60-E63 PolarHBondContact O-N 3.24Å; G60-L64 PolarHBondContact O-N 3.18Å
61	P	61.9	Low	60.1	Low	122 Å²	122	103 Å²	103	79%	0.792	61%	0.612	S	S	*	*	H	α-helix	trans	-56.6	-26.9	-179.7	20.6	-30.7	0	0	0	112.9	A65	P61-A65 VanDerWaalsContact O-CB 3.25Å; P61-A65 WeakPolarHBondContact O-CB 3.29Å; P61-A65 PolarHBondContact O-N 3.42Å
62	M	59.2	Low	62.3	Low	155 Å²	155	100.4 Å²	100.4	76%	0.764	60%	0.595	S	S	*	*	H	α-helix	trans	-74.9	-37.6	176.2	-150.6	170.9	-160.7	0	0	112.8	G60 I66	G60-M62 PolarHBondContact O-N 3.45Å; M62-I66 WeakPolarHBondContact O-CD1 3.32Å; M62-I66 VanDerWaalsContact O-CG1 3.25Å; M62-I66 WeakPolarHBondContact O-CG1 3.34Å; M62-I66 PolarHBondContact O-N 2.85Å
63	E	64.6	Low	64.6	Low	99 Å²	99	98.5 Å²	98.5	46%	0.463	58%	0.575	S	S	.	*	H	α-helix	trans	-74.1	-37.7	176.6	-69.7	174.9	143.9	0	0	111.2	L59 G60 A65 I66 I67	L59-E63 HydrophobicContact CD1-CB 4.21Å; L59-E63 VanDerWaalsContact CD1-OE2 3.27Å; L59-E63 WeakPolarHBondContact CD1-OE2 3.32Å; L59-E63 HydrophobicContact CD2-CB 3.71Å; L59-E63 HydrophobicContact CG-CB 3.51Å; L59-E63 HydrophobicContact CG-CG 4.36Å; L59-E63 VanDerWaalsContact CG-OE2 3.26Å; L59-E63 WeakPolarHBondContact CG-OE2 3.34Å; G60-E63 PolarHBondContact N-OE2 3.42Å; G60-E63 PolarHBondContact O-N 3.24Å; E63-A65 VanDerWaalsContact C-N 3.34Å; E63-I66 PolarHBondContact O-N 3.21Å; E63-I67 WeakPolarHBondContact O-CG1 3.09Å; E63-I67 PolarHBondContact O-N 3.21Å
64	L	67.8	Low	67	Low	88 Å²	88	98.5 Å²	98.5	46%	0.461	57%	0.566	S	S	.	*	H	α-helix	trans	-65.3	-39.8	173.1	-143.4	99.3	0	0	0	111.3	L59 G60 I66 I67 I68	L59-L64 HydrophobicContact CB-CD1 4.35Å; L59-L64 HydrophobicContact CD2-CD1 4.44Å; G60-L64 PolarHBondContact O-N 3.18Å; L64-I66 VanDerWaalsContact C-N 3.33Å; L64-I66 PolarHBondContact O-N 3.03Å; L64-I67 PolarHBondContact O-N 3.26Å; L64-I68 HydrophobicContact CD2-CD1 3.94Å; L64-I68 HydrophobicContact CG-CD1 4.26Å; L64-I68 VanDerWaalsContact O-CG1 3.3Å; L64-I68 WeakPolarHBondContact O-CG1 2.87Å; L64-I68 PolarHBondContact O-N 3.25Å
65	A	69.4	Low	68.9	Low	47 Å²	47	99.2 Å²	99.2	39%	0.388	56%	0.563	S	S	.	*	H	α-helix	trans	-59.8	-44.7	173.5	0	0	0	0	0	110.7	P61 E63 I68 T69	P61-A65 VanDerWaalsContact O-CB 3.25Å; P61-A65 WeakPolarHBondContact O-CB 3.29Å; P61-A65 PolarHBondContact O-N 3.42Å; E63-A65 VanDerWaalsContact C-N 3.34Å; A65-I68 PolarHBondContact O-N 3.07Å; A65-T69 VanDerWaalsContact O-CB 3.27Å; A65-T69 WeakPolarHBondContact O-CB 3.09Å; A65-T69 WeakPolarHBondContact O-CG2 3.39Å; A65-T69 PolarHBondContact O-N 3.22Å; A65-T69 PolarHBondContact O-OG1 3.07Å
66	I	72.8	Confident	70.6	Confident	96 Å²	96	94 Å²	94	49%	0.492	54%	0.539	S	S	.	.	H	α-helix	trans	-64.7	-45.2	176.9	-67.6	164.6	0	0	0	111.2	M62 E63 L64 I68 V70	M62-I66 WeakPolarHBondContact O-CD1 3.32Å; M62-I66 VanDerWaalsContact O-CG1 3.25Å; M62-I66 WeakPolarHBondContact O-CG1 3.34Å; M62-I66 PolarHBondContact O-N 2.85Å; E63-I66 PolarHBondContact O-N 3.21Å; L64-I66 VanDerWaalsContact C-N 3.33Å; L64-I66 PolarHBondContact O-N 3.03Å; I66-I68 PolarHBondContact O-N 3.38Å; I66-V70 HydrophobicContact CG2-CG2 3.82Å; I66-V70 WeakPolarHBondContact O-CB 3.18Å; I66-V70 VanDerWaalsContact O-CG2 3.22Å; I66-V70 WeakPolarHBondContact O-CG2 3.3Å; I66-V70 PolarHBondContact O-N 3.11Å
67	I	74.1	Confident	72.8	Confident	103 Å²	103	94.4 Å²	94.4	53%	0.528	53%	0.529	S	S	.	.	H	α-helix	trans	-64.9	-26.4	179.8	-70.3	-176.6	0	0	0	112.6	L59 E63 L64 P71	L59-I67 HydrophobicContact CD2-CD1 3.26Å; L59-I67 HydrophobicContact CD2-CG1 4.28Å; E63-I67 WeakPolarHBondContact O-CG1 3.09Å; E63-I67 PolarHBondContact O-N 3.21Å; L64-I67 PolarHBondContact O-N 3.26Å; I67-P71 WeakPolarHBondContact O-CD 3.33Å; I67-P71 WeakPolarHBondContact O-CG 3.37Å
68	I	78.3	Confident	74.8	Confident	98 Å²	98	90.8 Å²	90.8	50%	0.503	51%	0.509	S	S	.	.	H	α-helix	trans	-91.5	-45.2	176.9	-62.9	167.9	0	0	0	111	L64 A65 I66 P71 V72	L64-I68 HydrophobicContact CD2-CD1 3.94Å; L64-I68 HydrophobicContact CG-CD1 4.26Å; L64-I68 VanDerWaalsContact O-CG1 3.3Å; L64-I68 WeakPolarHBondContact O-CG1 2.87Å; L64-I68 PolarHBondContact O-N 3.25Å; A65-I68 PolarHBondContact O-N 3.07Å; I66-I68 PolarHBondContact O-N 3.38Å; I68-P71 WeakPolarHBondContact O-CD 3.25Å; I68-V72 HydrophobicContact CG2-CG2 4.45Å; I68-V72 WeakPolarHBondContact O-CB 3.48Å; I68-V72 WeakPolarHBondContact O-CG2 3.5Å; I68-V72 PolarHBondContact O-N 2.67Å
69	T	76	Confident	76.6	Confident	76 Å²	76	82.6 Å²	82.6	47%	0.466	48%	0.481	S	S	.	.	H	α-helix	trans	-70.5	-36.2	-176.6	49.7	0	0	0	0	112.4	A65 V72 C73	A65-T69 VanDerWaalsContact O-CB 3.27Å; A65-T69 WeakPolarHBondContact O-CB 3.09Å; A65-T69 WeakPolarHBondContact O-CG2 3.39Å; A65-T69 PolarHBondContact O-N 3.22Å; A65-T69 PolarHBondContact O-OG1 3.07Å; T69-V72 PolarHBondContact O-N 3.02Å; T69-C73 WeakPolarHBondContact O-CB 3.18Å; T69-C73 PolarHBondContact O-N 3.18Å; T69-C73 PolarHBondContact O-SG 3.25Å
70	V	81.8	Confident	78	Confident	70 Å²	70	85.3 Å²	85.3	42%	0.424	49%	0.494	S	S	.	.	H	α-helix	trans	-65.8	-49.6	-178.9	173.1	0	0	0	0	111.7	I66 V72 C73 L74	I66-V70 HydrophobicContact CG2-CG2 3.82Å; I66-V70 WeakPolarHBondContact O-CB 3.18Å; I66-V70 VanDerWaalsContact O-CG2 3.22Å; I66-V70 WeakPolarHBondContact O-CG2 3.3Å; I66-V70 PolarHBondContact O-N 3.11Å; V70-V72 VanDerWaalsContact C-N 3.35Å; V70-V72 PolarHBondContact O-N 3.07Å; V70-C73 PolarHBondContact O-N 3.03Å; V70-L74 HydrophobicContact CG1-CD1 3.89Å; V70-L74 HydrophobicContact CG1-CG 4.37Å; V70-L74 WeakPolarHBondContact O-CB 3.46Å; V70-L74 VanDerWaalsContact O-CG 3.25Å; V70-L74 WeakPolarHBondContact O-CG 3.37Å; V70-L74 PolarHBondContact O-N 3.21Å
71	P	83.3	Confident	79	Confident	60 Å²	60	88.9 Å²	88.9	39%	0.39	51%	0.506	S	S	.	.	H	α-helix	trans	-64.4	-36.3	175.3	-24.1	36.2	0	0	0	113.2	I67 I68 L74 L75	I67-P71 WeakPolarHBondContact O-CD 3.33Å; I67-P71 WeakPolarHBondContact O-CG 3.37Å; I68-P71 WeakPolarHBondContact O-CD 3.25Å; P71-L74 PolarHBondContact O-N 3.48Å; P71-L75 VanDerWaalsContact O-CB 3.29Å; P71-L75 WeakPolarHBondContact O-CB 3.31Å; P71-L75 VanDerWaalsContact O-CG 3.26Å; P71-L75 WeakPolarHBondContact O-CG 3.32Å; P71-L75 PolarHBondContact O-N 3.11Å
72	V	86.2	Confident	80.1	Confident	85 Å²	85	87 Å²	87	52%	0.515	49%	0.492	S	S	.	.	H	α-helix	trans	-67.7	-38.3	176.3	172.9	0	0	0	0	111.1	I68 T69 V70 L75 S76	I68-V72 HydrophobicContact CG2-CG2 4.45Å; I68-V72 WeakPolarHBondContact O-CB 3.48Å; I68-V72 WeakPolarHBondContact O-CG2 3.5Å; I68-V72 PolarHBondContact O-N 2.67Å; T69-V72 PolarHBondContact O-N 3.02Å; V70-V72 VanDerWaalsContact C-N 3.35Å; V70-V72 PolarHBondContact O-N 3.07Å; V72-L75 PolarHBondContact O-N 3.28Å; V72-S76 WeakPolarHBondContact O-CB 3.28Å; V72-S76 PolarHBondContact O-N 3.43Å; V72-S76 PolarHBondContact O-OG 3.18Å
73	C	84.6	Confident	81.3	Confident	65 Å²	65	83.5 Å²	83.5	44%	0.439	48%	0.476	S	S	.	.	H	α-helix	trans	-66.6	-41.5	172.9	-71.5	0	0	0	0	111.3	T69 V70 S76 I77	T69-C73 WeakPolarHBondContact O-CB 3.18Å; T69-C73 PolarHBondContact O-N 3.18Å; T69-C73 PolarHBondContact O-SG 3.25Å; V70-C73 PolarHBondContact O-N 3.03Å; C73-S76 VanDerWaalsContact CA-OG 3.26Å; C73-S76 WeakPolarHBondContact CA-OG 3.38Å; C73-S76 PolarHBondContact O-N 3.2Å; C73-S76 PolarHBondContact O-OG 3.32Å; C73-I77 WeakPolarHBondContact O-CB 3.48Å; C73-I77 WeakPolarHBondContact O-CD1 3.49Å; C73-I77 WeakPolarHBondContact O-CG1 3.31Å; C73-I77 PolarHBondContact O-N 2.95Å
74	L	87.1	Confident	82.2	Confident	108 Å²	108	87.7 Å²	87.7	57%	0.565	49%	0.487	S	S	*	.	H	α-helix	trans	-66.8	-39	176.3	-70.6	171.9	0	0	0	112.1	V70 P71 A78	V70-L74 HydrophobicContact CG1-CD1 3.89Å; V70-L74 HydrophobicContact CG1-CG 4.37Å; V70-L74 WeakPolarHBondContact O-CB 3.46Å; V70-L74 VanDerWaalsContact O-CG 3.25Å; V70-L74 WeakPolarHBondContact O-CG 3.37Å; V70-L74 PolarHBondContact O-N 3.21Å; P71-L74 PolarHBondContact O-N 3.48Å; L74-A78 VanDerWaalsContact O-CB 3.24Å; L74-A78 WeakPolarHBondContact O-CB 3.46Å; L74-A78 PolarHBondContact O-N 3.49Å
75	L	88.7	Confident	82.9	Confident	125 Å²	125	85.7 Å²	85.7	65%	0.654	48%	0.483	S	S	*	.	H	α-helix	trans	-67.7	-39.4	174.9	-77.4	168.7	0	0	0	112	P71 V72 A78 A79	P71-L75 VanDerWaalsContact O-CB 3.29Å; P71-L75 WeakPolarHBondContact O-CB 3.31Å; P71-L75 VanDerWaalsContact O-CG 3.26Å; P71-L75 WeakPolarHBondContact O-CG 3.32Å; P71-L75 PolarHBondContact O-N 3.11Å; V72-L75 PolarHBondContact O-N 3.28Å; L75-A78 PolarHBondContact O-N 3.45Å; L75-A79 VanDerWaalsContact O-CB 3.31Å; L75-A79 WeakPolarHBondContact O-CB 3.31Å; L75-A79 PolarHBondContact O-N 2.88Å
76	S	83.2	Confident	83.3	Confident	58 Å²	58	87 Å²	87	41%	0.406	49%	0.489	S	S	.	.	H	α-helix	trans	-71.2	-37.6	175.7	50.8	0	0	0	0	112.2	V72 C73 A79 M80	V72-S76 WeakPolarHBondContact O-CB 3.28Å; V72-S76 PolarHBondContact O-N 3.43Å; V72-S76 PolarHBondContact O-OG 3.18Å; C73-S76 VanDerWaalsContact CA-OG 3.26Å; C73-S76 WeakPolarHBondContact CA-OG 3.38Å; C73-S76 PolarHBondContact O-N 3.2Å; C73-S76 PolarHBondContact O-OG 3.32Å; S76-A79 PolarHBondContact O-N 3.38Å; S76-M80 WeakPolarHBondContact O-CB 3.49Å; S76-M80 VanDerWaalsContact O-CG 3.26Å; S76-M80 WeakPolarHBondContact O-CG 3.35Å; S76-M80 PolarHBondContact O-N 3.44Å
77	I	89.8	Confident	83.4	Confident	95 Å²	95	87.5 Å²	87.5	49%	0.487	49%	0.489	S	S	.	.	H	α-helix	trans	-65.2	-42	171.5	-68.8	165	0	0	0	110.3	C73 A79 M80 L81	C73-I77 WeakPolarHBondContact O-CB 3.48Å; C73-I77 WeakPolarHBondContact O-CD1 3.49Å; C73-I77 WeakPolarHBondContact O-CG1 3.31Å; C73-I77 PolarHBondContact O-N 2.95Å; I77-A79 VanDerWaalsContact C-N 3.35Å; I77-A79 PolarHBondContact O-N 3.5Å; I77-M80 PolarHBondContact O-N 2.91Å; I77-L81 HydrophobicContact CG2-CD1 3.87Å; I77-L81 HydrophobicContact CG2-CG 4.28Å; I77-L81 WeakPolarHBondContact O-CB 3.47Å; I77-L81 VanDerWaalsContact O-CG 3.29Å; I77-L81 WeakPolarHBondContact O-CG 3.31Å; I77-L81 PolarHBondContact O-N 3.06Å
78	A	88.9	Confident	83.4	Confident	46 Å²	46	84.3 Å²	84.3	38%	0.38	48%	0.482	S	S	.	.	H	α-helix	trans	-64	-39	174.5	0	0	0	0	0	112.1	L74 L75 L81 T82	L74-A78 VanDerWaalsContact O-CB 3.24Å; L74-A78 WeakPolarHBondContact O-CB 3.46Å; L74-A78 PolarHBondContact O-N 3.49Å; L75-A78 PolarHBondContact O-N 3.45Å; A78-L81 PolarHBondContact O-N 3.31Å; A78-T82 WeakPolarHBondContact O-CB 3.44Å; A78-T82 VanDerWaalsContact O-CG2 3.28Å; A78-T82 WeakPolarHBondContact O-CG2 3.42Å; A78-T82 PolarHBondContact O-N 3.31Å; A78-T82 PolarHBondContact O-OG1 3.22Å
79	A	88.1	Confident	82.9	Confident	42 Å²	42	88.8 Å²	88.8	35%	0.347	49%	0.492	S	S	.	.	H	α-helix	trans	-63.1	-42.4	172.2	0	0	0	0	0	111.7	L75 S76 I77 T82 I83	L75-A79 VanDerWaalsContact O-CB 3.31Å; L75-A79 WeakPolarHBondContact O-CB 3.31Å; L75-A79 PolarHBondContact O-N 2.88Å; S76-A79 PolarHBondContact O-N 3.38Å; I77-A79 VanDerWaalsContact C-N 3.35Å; I77-A79 PolarHBondContact O-N 3.5Å; A79-T82 VanDerWaalsContact CA-OG1 3.27Å; A79-T82 WeakPolarHBondContact CA-OG1 3.42Å; A79-T82 PolarHBondContact O-N 3.35Å; A79-T82 PolarHBondContact O-OG1 2.9Å; A79-I83 WeakPolarHBondContact O-CB 3.25Å; A79-I83 WeakPolarHBondContact O-CD1 3.22Å; A79-I83 WeakPolarHBondContact O-CG1 3.47Å; A79-I83 PolarHBondContact O-N 3.28Å
80	M	86	Confident	82.2	Confident	127 Å²	127	91.4 Å²	91.4	63%	0.626	50%	0.499	S	S	*	.	H	α-helix	trans	-68.4	-38.5	176.6	-71.8	-63.1	-73.9	0	0	112.1	S76 I77 I83 W84	S76-M80 WeakPolarHBondContact O-CB 3.49Å; S76-M80 VanDerWaalsContact O-CG 3.26Å; S76-M80 WeakPolarHBondContact O-CG 3.35Å; S76-M80 PolarHBondContact O-N 3.44Å; I77-M80 PolarHBondContact O-N 2.91Å; M80-I83 PolarHBondContact O-N 3.47Å; M80-W84 WeakPolarHBondContact O-CB 3.22Å; M80-W84 PolarHBondContact O-N 2.72Å
81	L	87.9	Confident	81.3	Confident	102 Å²	102	91.4 Å²	91.4	53%	0.534	50%	0.502	S	S	.	.	H	α-helix	trans	-69.8	-35.9	175.2	-73.8	171.9	0	0	0	111.9	I77 A78 W84 A85	I77-L81 HydrophobicContact CG2-CD1 3.87Å; I77-L81 HydrophobicContact CG2-CG 4.28Å; I77-L81 WeakPolarHBondContact O-CB 3.47Å; I77-L81 VanDerWaalsContact O-CG 3.29Å; I77-L81 WeakPolarHBondContact O-CG 3.31Å; I77-L81 PolarHBondContact O-N 3.06Å; A78-L81 PolarHBondContact O-N 3.31Å; L81-W84 PolarHBondContact O-N 2.83Å; L81-A85 WeakPolarHBondContact O-CB 3.16Å; L81-A85 PolarHBondContact O-N 3.28Å
82	T	83.8	Confident	80.1	Confident	82 Å²	82	91.7 Å²	91.7	50%	0.503	51%	0.505	S	S	.	.	H	α-helix	trans	-71.3	-39	173.4	48.4	0	0	0	0	111.4	A78 A79 A85 C86	A78-T82 WeakPolarHBondContact O-CB 3.44Å; A78-T82 VanDerWaalsContact O-CG2 3.28Å; A78-T82 WeakPolarHBondContact O-CG2 3.42Å; A78-T82 PolarHBondContact O-N 3.31Å; A78-T82 PolarHBondContact O-OG1 3.22Å; A79-T82 VanDerWaalsContact CA-OG1 3.27Å; A79-T82 WeakPolarHBondContact CA-OG1 3.42Å; A79-T82 PolarHBondContact O-N 3.35Å; A79-T82 PolarHBondContact O-OG1 2.9Å; T82-A85 PolarHBondContact O-N 2.97Å; T82-C86 WeakPolarHBondContact O-CB 3.26Å; T82-C86 PolarHBondContact O-N 2.99Å; T82-C86 PolarHBondContact O-SG 3.33Å
83	I	85.1	Confident	78.6	Confident	81 Å²	81	95.3 Å²	95.3	42%	0.415	51%	0.511	S	S	.	.	H	α-helix	trans	-63	-44.7	171.1	-70.1	164.6	0	0	0	110	A79 M80 A85 C86 Q87	A79-I83 WeakPolarHBondContact O-CB 3.25Å; A79-I83 WeakPolarHBondContact O-CD1 3.22Å; A79-I83 WeakPolarHBondContact O-CG1 3.47Å; A79-I83 PolarHBondContact O-N 3.28Å; M80-I83 PolarHBondContact O-N 3.47Å; I83-A85 PolarHBondContact O-N 3.42Å; I83-C86 CarbonylContact O-C 3.59Å; I83-C86 PolarHBondContact O-N 2.64Å; I83-Q87 HydrophobicContact CG2-CG 4.15Å; I83-Q87 VanDerWaalsContact O-CB 3.23Å; I83-Q87 WeakPolarHBondContact O-CB 3.25Å; I83-Q87 VanDerWaalsContact O-CG 3.23Å; I83-Q87 WeakPolarHBondContact O-CG 3.43Å; I83-Q87 PolarHBondContact O-N 2.93Å
84	W	84.1	Confident	77.1	Confident	188 Å²	188	101.7 Å²	101.7	71%	0.712	53%	0.525	S	S	*	.	H	α-helix	trans	-66.8	-36.3	177.7	-170.8	77.1	0	0	0	112.1	M80 L81 G88	M80-W84 WeakPolarHBondContact O-CB 3.22Å; M80-W84 PolarHBondContact O-N 2.72Å; L81-W84 PolarHBondContact O-N 2.83Å; W84-G88 VanDerWaalsContact O-CA 3.31Å; W84-G88 WeakPolarHBondContact O-CA 3.44Å; W84-G88 PolarHBondContact O-N 3.28Å
85	A	81.8	Confident	75.4	Confident	45 Å²	45	104.3 Å²	104.3	37%	0.372	53%	0.532	S	S	.	.	H	α-helix	trans	-71.6	-34.2	172.6	0	0	0	0	0	112.1	L81 T82 I83 R89	L81-A85 WeakPolarHBondContact O-CB 3.16Å; L81-A85 PolarHBondContact O-N 3.28Å; T82-A85 PolarHBondContact O-N 2.97Å; I83-A85 PolarHBondContact O-N 3.42Å; A85-R89 WeakPolarHBondContact O-CA 3.45Å; A85-R89 WeakPolarHBondContact O-CB 3.34Å; A85-R89 WeakPolarHBondContact O-CG 3.19Å; A85-R89 PolarHBondContact O-N 3.26Å
86	C	77.1	Confident	73.5	Confident	75 Å²	75	107 Å²	107	51%	0.507	54%	0.539	S	S	.	.	H	α-helix	trans	-72.8	-40.8	174.2	-78.5	0	0	0	0	111.6	T82 I83 R89 Q90	T82-C86 WeakPolarHBondContact O-CB 3.26Å; T82-C86 PolarHBondContact O-N 2.99Å; T82-C86 PolarHBondContact O-SG 3.33Å; I83-C86 CarbonylContact O-C 3.59Å; I83-C86 PolarHBondContact O-N 2.64Å; C86-R89 CarbonylContact O-C 3.59Å; C86-R89 PolarHBondContact O-N 2.97Å; C86-Q90 VanDerWaalsContact O-CB 3.23Å; C86-Q90 WeakPolarHBondContact O-CB 3.49Å; C86-Q90 WeakPolarHBondContact O-CG 3.31Å; C86-Q90 PolarHBondContact O-N 3.16Å
87	Q	75.6	Confident	71.4	Confident	106 Å²	106	111.8 Å²	111.8	50%	0.495	55%	0.552	S	S	.	*	H	α-helix	trans	-70.5	-36.1	173.2	-73.7	177.9	-2.2	0	0	111.1	I83 Q90 C91	I83-Q87 HydrophobicContact CG2-CG 4.15Å; I83-Q87 VanDerWaalsContact O-CB 3.23Å; I83-Q87 WeakPolarHBondContact O-CB 3.25Å; I83-Q87 VanDerWaalsContact O-CG 3.23Å; I83-Q87 WeakPolarHBondContact O-CG 3.43Å; I83-Q87 PolarHBondContact O-N 2.93Å; Q87-Q90 CarbonylContact O-C 3.55Å; Q87-Q90 PolarHBondContact O-N 3.48Å; Q87-C91 WeakPolarHBondContact O-CB 3.46Å; Q87-C91 PolarHBondContact O-N 2.76Å; Q87-C91 PolarHBondContact O-SG 3.2Å
88	G	74.4	Confident	68.7	Low	36 Å²	36	116.1 Å²	116.1	37%	0.371	56%	0.562	S	S	.	*	H	α-helix	trans	-69.8	-39.8	173.2	0	0	0	0	0	111.6	W84 C91 S92	W84-G88 VanDerWaalsContact O-CA 3.31Å; W84-G88 WeakPolarHBondContact O-CA 3.44Å; W84-G88 PolarHBondContact O-N 3.28Å; G88-C91 PolarHBondContact O-N 3.34Å; G88-S92 WeakPolarHBondContact O-CB 3.26Å; G88-S92 PolarHBondContact O-N 3.27Å
89	R	67.4	Low	66.3	Low	192 Å²	192	119.4 Å²	119.4	73%	0.725	58%	0.58	S	S	*	*	H	α-helix	trans	-68.3	-38.5	169.7	-80.4	178.9	-179.7	-171.6	1.7	111.4	A85 C86 S92 Y93	A85-R89 WeakPolarHBondContact O-CA 3.45Å; A85-R89 WeakPolarHBondContact O-CB 3.34Å; A85-R89 WeakPolarHBondContact O-CG 3.19Å; A85-R89 PolarHBondContact O-N 3.26Å; C86-R89 CarbonylContact O-C 3.59Å; C86-R89 PolarHBondContact O-N 2.97Å; R89-S92 CarbonylContact O-C 3.51Å; R89-S92 PolarHBondContact O-N 3.43Å; R89-Y93 WeakPolarHBondContact O-CA 3.29Å; R89-Y93 WeakPolarHBondContact O-CB 3.36Å; R89-Y93 PolarHBondContact O-N 2.91Å
90	Q	62.4	Low	63.5	Low	131 Å²	131	124.4 Å²	124.4	61%	0.612	60%	0.601	S	S	*	*	H	α-helix	trans	-69	-34.2	172.8	-86.4	177.8	-19.5	0	0	112.3	C86 Q87 Y93 R94	C86-Q90 VanDerWaalsContact O-CB 3.23Å; C86-Q90 WeakPolarHBondContact O-CB 3.49Å; C86-Q90 WeakPolarHBondContact O-CG 3.31Å; C86-Q90 PolarHBondContact O-N 3.16Å; Q87-Q90 CarbonylContact O-C 3.55Å; Q87-Q90 PolarHBondContact O-N 3.48Å; Q90-Y93 CarbonylContact O-C 3.58Å; Q90-R94 WeakPolarHBondContact O-CA 3.3Å; Q90-R94 WeakPolarHBondContact O-CB 3.23Å; Q90-R94 WeakPolarHBondContact O-CG 3.14Å; Q90-R94 PolarHBondContact O-N 3.19Å
91	C	61.4	Low	61.5	Low	71 Å²	71	124.3 Å²	124.3	48%	0.48	61%	0.607	S	S	.	*	H	α-helix	trans	-75.1	-35.3	173.6	-77.1	0	0	0	0	111.3	Q87 G88 R94 K95	Q87-C91 WeakPolarHBondContact O-CB 3.46Å; Q87-C91 PolarHBondContact O-N 2.76Å; Q87-C91 PolarHBondContact O-SG 3.2Å; G88-C91 PolarHBondContact O-N 3.34Å; C91-R94 CarbonylContact O-C 3.54Å; C91-R94 PolarHBondContact O-N 2.93Å; C91-K95 VanDerWaalsContact O-CB 3.25Å; C91-K95 WeakPolarHBondContact O-CB 3.14Å; C91-K95 WeakPolarHBondContact O-CG 3.16Å; C91-K95 PolarHBondContact O-N 3.14Å
92	S	59	Low	59.2	Low	66 Å²	66	127.2 Å²	127.2	46%	0.462	62%	0.618	S	S	.	*	H	α-helix	trans	-74.9	-30.7	172.4	-152.5	0	0	0	0	111.1	G88 R89 K95 K96	G88-S92 WeakPolarHBondContact O-CB 3.26Å; G88-S92 PolarHBondContact O-N 3.27Å; R89-S92 CarbonylContact O-C 3.51Å; R89-S92 PolarHBondContact O-N 3.43Å; S92-K95 PolarHBondContact O-N 3.18Å; S92-K96 VanDerWaalsContact O-CB 3.25Å; S92-K96 WeakPolarHBondContact O-CB 3.31Å; S92-K96 PolarHBondContact O-N 3.1Å
93	Y	54.1	Low	56.7	Low	161 Å²	161	131.4 Å²	131.4	63%	0.631	63%	0.632	S	S	*	*	H	α-helix	trans	-73.3	-31.2	166.6	-115.2	-94.9	0	0	0	112	R89 Q90 K97	R89-Y93 WeakPolarHBondContact O-CA 3.29Å; R89-Y93 WeakPolarHBondContact O-CB 3.36Å; R89-Y93 PolarHBondContact O-N 2.91Å; Q90-Y93 CarbonylContact O-C 3.58Å; Y93-K97 VanDerWaalsContact O-CA 3.28Å; Y93-K97 WeakPolarHBondContact O-CA 3.38Å; Y93-K97 WeakPolarHBondContact O-CB 3Å; Y93-K97 PolarHBondContact O-N 3.15Å
94	R	52.7	Low	54.4	Low	198 Å²	198	133 Å²	133	75%	0.747	65%	0.647	S	S	*	*	H	α-helix	trans	-80.3	-18.2	169.9	-85.3	178.9	97.8	179.3	6.9	112.3	Q90 C91 K97 R98	Q90-R94 WeakPolarHBondContact O-CA 3.3Å; Q90-R94 WeakPolarHBondContact O-CB 3.23Å; Q90-R94 WeakPolarHBondContact O-CG 3.14Å; Q90-R94 PolarHBondContact O-N 3.19Å; C91-R94 CarbonylContact O-C 3.54Å; C91-R94 PolarHBondContact O-N 2.93Å; R94-K97 CarbonylContact O-C 3.56Å; R94-K97 VanDerWaalsContact O-O 3.08Å; R94-R98 PolarHBondContact O-N 3.21Å
95	K	51.4	Low	52.1	Low	163 Å²	163	130.7 Å²	130.7	71%	0.709	65%	0.648	S	S	*	*	H	α-helix	trans	-86.5	-34.3	168.9	-81.5	-178.7	175.2	-178.5	0	111.3	C91 S92 R98	C91-K95 VanDerWaalsContact O-CB 3.25Å; C91-K95 WeakPolarHBondContact O-CB 3.14Å; C91-K95 WeakPolarHBondContact O-CG 3.16Å; C91-K95 PolarHBondContact O-N 3.14Å; S92-K95 PolarHBondContact O-N 3.18Å; K95-R98 PolarHBondContact O-N 3.34Å
96	K	49.1	Very low	50	Low	182 Å²	182	132.9 Å²	132.9	79%	0.791	66%	0.661	S	S	*	*	H	α-helix	trans	-77.1	-26.3	167.2	-82.9	-176.5	170.1	-177.7	0	113.2	S92	S92-K96 VanDerWaalsContact O-CB 3.25Å; S92-K96 WeakPolarHBondContact O-CB 3.31Å; S92-K96 PolarHBondContact O-N 3.1Å
97	K	38.4	Very low	48.3	Very low	159 Å²	159	135.6 Å²	135.6	69%	0.691	67%	0.666	S	S	*	*	T	Hydrogen-bonded Turn	trans	-103.3	43.7	158.2	-68.7	-176.8	162.8	-177.1	0	110.2	Y93 R94	Y93-K97 VanDerWaalsContact O-CA 3.28Å; Y93-K97 WeakPolarHBondContact O-CA 3.38Å; Y93-K97 WeakPolarHBondContact O-CB 3Å; Y93-K97 PolarHBondContact O-N 3.15Å; R94-K97 CarbonylContact O-C 3.56Å; R94-K97 VanDerWaalsContact O-O 3.08Å
98	R	34.3	Very low	46.8	Very low	186 Å²	186	133.6 Å²	133.6	70%	0.702	66%	0.663	S	S	*	*	S	Bend		-58.1	129.9	127.2	-87	-179.4	171.1	176.1	-4.3	102.1	R94 K95 N100	R94-R98 PolarHBondContact O-N 3.21Å; K95-R98 PolarHBondContact O-N 3.34Å; R98-N100 PolarHBondContact O-N 3.07Å
99	P	38.8	Very low	45	Very low	114 Å²	114	138.5 Å²	138.5	74%	0.74	68%	0.681	S	S	*	*			trans	-49.2	115	155.7	-8.9	23.5	0	0	0	102.7	V101	P99-V101 PolarHBondContact O-N 3.1Å
100	N	28.4	Very low	44.1	Very low	147 Å²	147	136.6 Å²	136.6	79%	0.786	68%	0.684	S	S	*	*			trans	-39.9	124.6	143	-93.4	-23	0	0	0	102.6	R98 E102	R98-N100 PolarHBondContact O-N 3.07Å; N100-E102 PolarHBondContact O-N 2.94Å
101	V	45.3	Very low	43.4	Very low	126 Å²	126	132.1 Å²	132.1	76%	0.764	67%	0.665	S	S	*	*			trans	-28.1	105.9	155	173.2	0	0	0	0	103.8	P99 E103	P99-V101 PolarHBondContact O-N 3.1Å; V101-E103 PolarHBondContact O-N 3.4Å
102	E	38.9	Very low	42.6	Very low	162 Å²	162	134.2 Å²	134.2	76%	0.757	67%	0.672	S	S	*	*			trans	-53.6	108.2	168.6	-87.3	176.1	156.6	0	0	99.7	N100 P104	N100-E102 PolarHBondContact O-N 2.94Å; E102-P104 VanDerWaalsContact C-N 3.33Å; E102-P104 WeakPolarHBondContact O-CD 3.38Å
103	E	31.2	Very low	41.7	Very low	170 Å²	170	136.4 Å²	136.4	79%	0.794	69%	0.694	S	S	*	*			trans	-43	117.2	160.1	-97.3	-174.1	144.7	0	0	102.4	V101 L105	V101-E103 PolarHBondContact O-N 3.4Å; E103-L105 VanDerWaalsContact C-N 3.31Å; E103-L105 PolarHBondContact O-N 2.83Å
104	P	36.7	Very low	41.3	Very low	114 Å²	114	132.6 Å²	132.6	74%	0.74	70%	0.703	S	S	*	*			trans	-53.8	112.1	-176	20.4	-29.6	0	0	0	103.6	E102 S106	E102-P104 VanDerWaalsContact C-N 3.33Å; E102-P104 WeakPolarHBondContact O-CD 3.38Å; P104-S106 PolarHBondContact O-N 3.34Å
105	L	36.4	Very low	41.3	Very low	140 Å²	140	127.5 Å²	127.5	73%	0.733	69%	0.687	S	S	*	*			trans	-46.7	119.9	175.2	-93.2	156.5	0	0	0	103.5	E103 E107	E103-L105 VanDerWaalsContact C-N 3.31Å; E103-L105 PolarHBondContact O-N 2.83Å; L105-E107 PolarHBondContact O-N 2.84Å
106	S	37.8	Very low	42	Very low	91 Å²	91	122.8 Å²	122.8	64%	0.636	67%	0.672	S	S	*	*	S	Bend	trans	-69.3	49	-176.3	53.4	0	0	0	0	110.2	P104 C108 N109	P104-S106 PolarHBondContact O-N 3.34Å; S106-C108 VanDerWaalsContact C-N 3.29Å; S106-N109 PolarHBondContact O-ND2 3.44Å
107	E	41.6	Very low	42.7	Very low	133 Å²	133	115.5 Å²	115.5	62%	0.621	64%	0.641	S	S	*	*			trans	-89.8	2.7	166.6	-72.6	-168.1	155.4	0	0	111	L105 N109 L110	L105-E107 PolarHBondContact O-N 2.84Å; E107-N109 PolarHBondContact O-N 3.24Å; E107-L110 PolarHBondContact O-N 2.84Å
108	C	42.5	Very low	43.8	Very low	63 Å²	63	114.6 Å²	114.6	43%	0.426	64%	0.637	S	S	.	*	G	3₁₀ helix	trans	-68.4	-2.9	162.1	-134.3	0	0	0	0	112.6	S106 L110 V111	S106-C108 VanDerWaalsContact C-N 3.29Å; C108-L110 PolarHBondContact O-N 3.49Å; C108-V111 PolarHBondContact O-N 2.79Å; C108-V111 VanDerWaalsContact O-O 3.1Å
109	N	38.1	Very low	45	Very low	139 Å²	139	109 Å²	109	74%	0.743	62%	0.621	S	S	*	*	G	3₁₀ helix	trans	-72.7	-7.2	170.5	-73.1	-28.3	0	0	0	113.6	S106 E107 V111	S106-N109 PolarHBondContact O-ND2 3.44Å; E107-N109 PolarHBondContact O-N 3.24Å; N109-V111 VanDerWaalsContact C-N 3.33Å
110	L	47.3	Very low	46.2	Very low	152 Å²	152	105.3 Å²	105.3	80%	0.796	60%	0.595	S	S	*	*	G	3₁₀ helix	trans	-81.8	-14.8	168.2	-127.6	86.2	0	0	0	112.8	E107 C108	E107-L110 PolarHBondContact O-N 2.84Å; C108-L110 PolarHBondContact O-N 3.49Å
111	V	47.3	Very low	47.8	Very low	37 Å²	37	98.3 Å²	98.3	22%	0.224	56%	0.558	C	S	.	*	S	Bend	trans	-102.6	104.4	177.4	-178.7	0	0	0	0	106.5	C108 N109 A113 L120	C108-V111 PolarHBondContact O-N 2.79Å; C108-V111 VanDerWaalsContact O-O 3.1Å; N109-V111 VanDerWaalsContact C-N 3.33Å; V111-A113 PolarHBondContact O-N 2.77Å; V111-L120 HydrophobicContact CG1-CD1 4.18Å; V111-L120 HydrophobicContact CG1-CD2 4.47Å; V111-L120 HydrophobicContact CG2-CD2 3.99Å
112	N	44.9	Very low	48.5	Very low	116 Å²	116	100.2 Å²	100.2	62%	0.62	55%	0.552	S	S	*	*			trans	-43.5	119.5	177.8	-81.8	-20	0	0	0	110.4	G114 K115	N112-G114 PolarHBondContact O-N 3.48Å; N112-K115 PolarHBondContact O-N 3.45Å
113	A	40	Very low	49.2	Very low	112 Å²	112	96.5 Å²	96.5	93%	0.926	54%	0.538	S	S	*	.	T	Hydrogen-bonded Turn	trans	-51.3	106.5	179.1	0	0	0	0	0	109.8	V111	V111-A113 PolarHBondContact O-N 2.77Å
114	G	46.2	Very low	50.2	Low	80 Å²	80	90.8 Å²	90.8	83%	0.825	51%	0.514	S	S	*	.	T	Hydrogen-bonded Turn	trans	126.4	-7.4	177.9	0	0	0	0	0	116.7	N112	N112-G114 PolarHBondContact O-N 3.48Å
115	K	52.3	Low	50.9	Low	92 Å²	92	86.9 Å²	86.9	40%	0.4	49%	0.488	S	S	.	.			trans	-97.3	132.1	175	-68.9	-167.8	177.1	-169.4	0	111.6	N112 D119 D123	N112-K115 PolarHBondContact O-N 3.45Å; K115-D119 HydrophobicContact CB-CB 4.11Å; K115-D119 HydrophobicContact CG-CB 4.5Å; K115-D123 IonicContact NZ-OD2 3.68Å; K115-D123 PolarHBondContact NZ-OD2 2.66Å
116	T	65.8	Low	51.6	Low	64 Å²	64	84.4 Å²	84.4	39%	0.393	49%	0.489	S	S	.	.			trans	-70.5	159.6	173.6	67.9	0	0	0	0	109.7	K118 D119 L120	T116-K118 PolarHBondContact O-N 3.49Å; T116-K118 VanDerWaalsContact O-N 3.16Å; T116-D119 WeakPolarHBondContact CB-OD2 3.21Å; T116-D119 PolarHBondContact N-OD2 3.46Å; T116-D119 WeakPolarHBondContact O-CB 3.49Å; T116-D119 PolarHBondContact O-N 2.79Å; T116-D119 PolarHBondContact OG1-N 2.62Å; T116-D119 PolarHBondContact OG1-OD1 2.76Å; T116-D119 PolarHBondContact OG1-OD2 3.39Å; T116-L120 PolarHBondContact O-N 2.7Å
117	L	64.4	Low	52.2	Low	29 Å²	29	84.8 Å²	84.8	15%	0.152	49%	0.491	C	S	.	.	H	α-helix	trans	-54.3	-35.8	174.9	173	58.5	0	0	0	112.1	L120 I121 W164 E167 V169 I203	L117-L120 PolarHBondContact O-N 2.78Å; L117-I121 HydrophobicContact CD1-CD1 3.76Å; L117-I121 HydrophobicContact CD1-CG1 4.06Å; L117-I121 HydrophobicContact CG-CD1 3.82Å; L117-I121 WeakPolarHBondContact O-CD1 3.12Å; L117-I121 VanDerWaalsContact O-CG1 3.26Å; L117-I121 WeakPolarHBondContact O-CG1 3.43Å; L117-I121 PolarHBondContact O-N 2.68Å; L117-W164 HydrophobicContact CD1-CE3 3.73Å; L117-W164 HydrophobicContact CD1-CH2 4.01Å; L117-W164 HydrophobicContact CD1-CZ3 3.21Å; L117-W164 HydrophobicContact CD2-CE3 3.95Å; L117-W164 HydrophobicContact CD2-CZ3 4.25Å; L117-W164 HydrophobicContact CG-CZ3 4.37Å; L117-E167 HydrophobicContact CB-CB 4.35Å; L117-E167 HydrophobicContact CB-CG 3.9Å; L117-E167 HydrophobicContact CD2-CB 4.01Å; L117-E167 HydrophobicContact CD2-CG 4.49Å; L117-V169 HydrophobicContact CD2-CG1 4.21Å; L117-I203 HydrophobicContact CD2-CD1 4.16Å
118	K	61	Low	52.5	Low	140 Å²	140	79.8 Å²	79.8	61%	0.609	48%	0.475	S	S	*	.	H	α-helix	trans	-62	-42.5	174.8	-75.6	-178.3	177	173.2	0	112.1	T116 I121 Y122	T116-K118 PolarHBondContact O-N 3.49Å; T116-K118 VanDerWaalsContact O-N 3.16Å; K118-I121 PolarHBondContact O-N 3.49Å; K118-Y122 VanDerWaalsContact O-CB 3.25Å; K118-Y122 WeakPolarHBondContact O-CB 3.19Å; K118-Y122 PolarHBondContact O-N 2.75Å
119	D	61.3	Low	52.9	Low	68 Å²	68	82.3 Å²	82.3	36%	0.364	49%	0.493	S	S	.	.	H	α-helix	trans	-67.1	-40.2	178.9	-55.3	-39.3	0	0	0	111.1	K115 T116 I121 Y122 D123	K115-D119 HydrophobicContact CB-CB 4.11Å; K115-D119 HydrophobicContact CG-CB 4.5Å; T116-D119 WeakPolarHBondContact CB-OD2 3.21Å; T116-D119 PolarHBondContact N-OD2 3.46Å; T116-D119 WeakPolarHBondContact O-CB 3.49Å; T116-D119 PolarHBondContact O-N 2.79Å; T116-D119 PolarHBondContact OG1-N 2.62Å; T116-D119 PolarHBondContact OG1-OD1 2.76Å; T116-D119 PolarHBondContact OG1-OD2 3.39Å; D119-I121 PolarHBondContact O-N 3.45Å; D119-Y122 PolarHBondContact O-N 3.45Å; D119-D123 VanDerWaalsContact O-CB 3.31Å; D119-D123 WeakPolarHBondContact O-CB 3.47Å; D119-D123 VanDerWaalsContact O-CG 3.29Å; D119-D123 PolarHBondContact O-N 2.7Å
120	L	62	Low	53.8	Low	36 Å²	36	76.6 Å²	76.6	19%	0.188	47%	0.467	C	S	.	.	H	α-helix	trans	-64.1	-42.5	177.3	-156	82.6	0	0	0	111.8	V111 T116 L117 V124 L133	V111-L120 HydrophobicContact CG1-CD1 4.18Å; V111-L120 HydrophobicContact CG1-CD2 4.47Å; V111-L120 HydrophobicContact CG2-CD2 3.99Å; T116-L120 PolarHBondContact O-N 2.7Å; L117-L120 PolarHBondContact O-N 2.78Å; L120-V124 WeakPolarHBondContact O-CB 3.18Å; L120-V124 WeakPolarHBondContact O-CG2 3.16Å; L120-V124 PolarHBondContact O-N 3.19Å; L120-L133 HydrophobicContact CD2-CD2 4.44Å
121	I	63.8	Low	54.5	Low	1 Å²	1	69.8 Å²	69.8	1%	0.005	43%	0.432	C	S	.	.	H	α-helix	trans	-68	-39.7	176.5	-64.7	163.7	0	0	0	110.5	L117 K118 D119 T125 I203	L117-I121 HydrophobicContact CD1-CD1 3.76Å; L117-I121 HydrophobicContact CD1-CG1 4.06Å; L117-I121 HydrophobicContact CG-CD1 3.82Å; L117-I121 WeakPolarHBondContact O-CD1 3.12Å; L117-I121 VanDerWaalsContact O-CG1 3.26Å; L117-I121 WeakPolarHBondContact O-CG1 3.43Å; L117-I121 PolarHBondContact O-N 2.68Å; K118-I121 PolarHBondContact O-N 3.49Å; D119-I121 PolarHBondContact O-N 3.45Å; I121-T125 HydrophobicContact CG2-CG2 4.38Å; I121-T125 WeakPolarHBondContact O-CB 3.13Å; I121-T125 VanDerWaalsContact O-CG2 3.29Å; I121-T125 WeakPolarHBondContact O-CG2 3.37Å; I121-T125 PolarHBondContact O-N 2.73Å; I121-T125 VanDerWaalsContact O-N 3.12Å; I121-T125 PolarHBondContact O-OG1 3.38Å; I121-I203 HydrophobicContact CD1-CD1 4.38Å; I121-I203 HydrophobicContact CD1-CG1 3.87Å; I121-I203 HydrophobicContact CD1-CG2 4.47Å
122	Y	59.4	Low	55.1	Low	165 Å²	165	68.4 Å²	68.4	65%	0.647	43%	0.426	S	S	*	.	H	α-helix	trans	-69.9	-45.1	-177.8	-158.9	-91.2	0	0	0	112.3	K118 D119 V124 T125 A126	K118-Y122 VanDerWaalsContact O-CB 3.25Å; K118-Y122 WeakPolarHBondContact O-CB 3.19Å; K118-Y122 PolarHBondContact O-N 2.75Å; D119-Y122 PolarHBondContact O-N 3.45Å; Y122-V124 VanDerWaalsContact C-N 3.31Å; Y122-V124 PolarHBondContact O-N 3.48Å; Y122-T125 PolarHBondContact O-N 3.43Å; Y122-T125 PolarHBondContact O-OG1 3.06Å; Y122-A126 PolarHBondContact O-N 3.18Å
123	D	54	Low	55.8	Low	84 Å²	84	63.2 Å²	63.2	45%	0.449	40%	0.398	S	S	.	.	H	α-helix	trans	-66	-33.8	179.5	-74.3	-14.8	0	0	0	112.3	K115 D119	K115-D123 IonicContact NZ-OD2 3.68Å; K115-D123 PolarHBondContact NZ-OD2 2.66Å; D119-D123 VanDerWaalsContact O-CB 3.31Å; D119-D123 WeakPolarHBondContact O-CB 3.47Å; D119-D123 VanDerWaalsContact O-CG 3.29Å; D119-D123 PolarHBondContact O-N 2.7Å
124	V	51.6	Low	56.8	Low	50 Å²	50	61 Å²	61	30%	0.303	37%	0.374	S	S	.	.	H	α-helix	trans	-84.5	-27.6	-177	-177.6	0	0	0	0	112.4	L120 Y122 A126 S127 P134	L120-V124 WeakPolarHBondContact O-CB 3.18Å; L120-V124 WeakPolarHBondContact O-CG2 3.16Å; L120-V124 PolarHBondContact O-N 3.19Å; Y122-V124 VanDerWaalsContact C-N 3.31Å; Y122-V124 PolarHBondContact O-N 3.48Å; V124-A126 VanDerWaalsContact C-N 3.3Å; V124-A126 PolarHBondContact O-N 3.12Å; V124-S127 PolarHBondContact O-N 3.19Å; V124-P134 VanDerWaalsContact CG1-CD 3.49Å; V124-P134 HydrophobicContact CG1-CG 3.48Å; V124-P134 VanDerWaalsContact CG1-CG 3.48Å
125	T	52.2	Low	57.4	Low	32 Å²	32	62.9 Å²	62.9	20%	0.196	37%	0.365	C	S	.	.	H	α-helix	trans	-76.3	-13.4	175.9	47.7	0	0	0	0	113.9	I121 Y122 S127	I121-T125 HydrophobicContact CG2-CG2 4.38Å; I121-T125 WeakPolarHBondContact O-CB 3.13Å; I121-T125 VanDerWaalsContact O-CG2 3.29Å; I121-T125 WeakPolarHBondContact O-CG2 3.37Å; I121-T125 PolarHBondContact O-N 2.73Å; I121-T125 VanDerWaalsContact O-N 3.12Å; I121-T125 PolarHBondContact O-OG1 3.38Å; Y122-T125 PolarHBondContact O-N 3.43Å; Y122-T125 PolarHBondContact O-OG1 3.06Å; T125-S127 PolarHBondContact O-N 3.44Å
126	A	49.4	Very low	57.2	Low	89 Å²	89	65.9 Å²	65.9	74%	0.736	38%	0.384	S	S	*	.	T	Hydrogen-bonded Turn	trans	-66.7	-12.1	171.9	0	0	0	0	0	113.9	Y122 V124 G128	Y122-A126 PolarHBondContact O-N 3.18Å; V124-A126 VanDerWaalsContact C-N 3.3Å; V124-A126 PolarHBondContact O-N 3.12Å; A126-G128 VanDerWaalsContact C-N 3.29Å; A126-G128 PolarHBondContact O-N 3.38Å
127	S	50.8	Low	56.9	Low	99 Å²	99	65.3 Å²	65.3	69%	0.692	38%	0.381	S	S	*	.	T	Hydrogen-bonded Turn	trans	-82.5	2.8	-179.1	-153.8	0	0	0	0	114.4	V124 T125 S129	V124-S127 PolarHBondContact O-N 3.19Å; T125-S127 PolarHBondContact O-N 3.44Å; S127-S129 PolarHBondContact O-N 3.37Å
128	G	49.4	Very low	56.6	Low	28 Å²	28	64.6 Å²	64.6	29%	0.289	38%	0.377	S	S	.	.	S	Bend	trans	79.5	5.4	164.7	0	0	0	0	0	117.6	A126 Q264	A126-G128 VanDerWaalsContact C-N 3.29Å; A126-G128 PolarHBondContact O-N 3.38Å; G128-Q264 PolarHBondContact O-OE1 3.19Å; G128-Q264 VanDerWaalsContact O-OE1 3.1Å
129	S	50.8	Low	56.5	Low	115 Å²	115	67.4 Å²	67.4	80%	0.804	38%	0.383	S	S	*	.	S	Bend	trans	-97.4	5.6	-173.5	-62.5	0	0	0	0	116.3	S127	S127-S129 PolarHBondContact O-N 3.37Å
130	G	56.3	Low	56.9	Low	19 Å²	19	67.3 Å²	67.3	20%	0.196	39%	0.385	C	S	.	.			trans	135.3	178.9	-179.6	0	0	0	0	0	113.7
131	S	61.7	Low	57.8	Low	9 Å²	9	65.7 Å²	65.7	6%	0.063	38%	0.377	C	S	.	.	S	Bend	trans	-90.8	130.2	175.3	125.6	0	0	0	0	110.5	Y189 Q190 F202	S131-Y189 VanDerWaalsContact CB-O 3.29Å; S131-Y189 WeakPolarHBondContact CB-O 3.5Å; S131-Y189 PolarHBondContact OG-O 3.05Å; S131-Q190 PolarHBondContact N-O 3.2Å; S131-F202 WeakPolarHBondContact O-CD1 3.26Å
132	G	59.7	Low	58.7	Low	8 Å²	8	65.7 Å²	65.7	8%	0.082	38%	0.377	C	S	.	.	S	Bend	trans	109.5	-173.1	-178.6	0	0	0	0	0	114.4	I203	G132-I203 WeakPolarHBondContact CA-O 3.27Å
133	L	59.7	Low	59.9	Low	8 Å²	8	67 Å²	67	4%	0.042	38%	0.38	C	S	.	.	S	Bend	trans	-78.3	161.1	-179.9	-71.7	164.9	0	0	0	112.6	L120 V137 Q138 I141 W164 I203	L120-L133 HydrophobicContact CD2-CD2 4.44Å; L133-V137 HydrophobicContact CB-CB 4.38Å; L133-V137 HydrophobicContact CB-CG1 4.3Å; L133-V137 HydrophobicContact CD1-CG1 4.13Å; L133-Q138 HydrophobicContact CB-CG 4.36Å; L133-Q138 WeakPolarHBondContact O-CG 3.5Å; L133-Q138 PolarHBondContact O-NE2 3.28Å; L133-I141 HydrophobicContact CD1-CD1 3.64Å; L133-W164 HydrophobicContact CD1-CH2 3.51Å; L133-W164 HydrophobicContact CD1-CZ3 4.03Å; L133-I203 HydrophobicContact CD1-CG2 4.02Å; L133-I203 PolarHBondContact N-O 2.89Å; L133-I203 VanDerWaalsContact N-O 3.11Å
134	P	60.4	Low	61.5	Low	65 Å²	65	66 Å²	66	42%	0.422	38%	0.377	S	S	.	.			trans	-62.6	147.5	177.9	-20.6	33.9	0	0	0	112.1	V124 L136 V137 Q138	V124-P134 VanDerWaalsContact CG1-CD 3.49Å; V124-P134 HydrophobicContact CG1-CG 3.48Å; V124-P134 VanDerWaalsContact CG1-CG 3.48Å; P134-L136 PolarHBondContact O-N 3.44Å; P134-V137 HydrophobicContact CG-CG2 4.5Å; P134-V137 WeakPolarHBondContact O-CA 3.22Å; P134-V137 WeakPolarHBondContact O-CB 3.46Å; P134-V137 PolarHBondContact O-N 2.67Å; P134-Q138 PolarHBondContact O-N 3.01Å
135	L	58.8	Low	63.5	Low	119 Å²	119	63.8 Å²	63.8	62%	0.623	36%	0.364	S	S	*	.	H	α-helix	trans	-51.1	-36.5	-174	-70.8	171.1	0	0	0	115	Q138 R139	L135-Q138 PolarHBondContact O-N 3.17Å; L135-R139 PolarHBondContact O-N 2.62Å
136	L	49.4	Very low	65.4	Low	156 Å²	156	66.8 Å²	66.8	82%	0.817	38%	0.382	S	S	*	.	H	α-helix	trans	-69.9	-34.2	178.5	-70.8	173	0	0	0	112.5	P134	P134-L136 PolarHBondContact O-N 3.44Å
137	V	58.6	Low	67.6	Low	52 Å²	52	65 Å²	65	32%	0.315	36%	0.359	S	S	.	.	H	α-helix	trans	-74.5	-33.8	174.3	-176.6	0	0	0	0	109.8	L133 P134 R139 I141	L133-V137 HydrophobicContact CB-CB 4.38Å; L133-V137 HydrophobicContact CB-CG1 4.3Å; L133-V137 HydrophobicContact CD1-CG1 4.13Å; P134-V137 HydrophobicContact CG-CG2 4.5Å; P134-V137 WeakPolarHBondContact O-CA 3.22Å; P134-V137 WeakPolarHBondContact O-CB 3.46Å; P134-V137 PolarHBondContact O-N 2.67Å; V137-R139 VanDerWaalsContact C-N 3.33Å; V137-R139 PolarHBondContact O-N 3.3Å; V137-I141 HydrophobicContact CG1-CD1 4.37Å; V137-I141 WeakPolarHBondContact O-CG1 3.05Å
138	Q	59.4	Low	69.7	Low	14 Å²	14	64.3 Å²	64.3	7%	0.065	35%	0.346	C	S	.	.	H	α-helix	trans	-61.4	-35.4	-179.6	-68.8	-176.3	-3.7	0	0	113.9	L133 P134 L135 T140 A204 D206	L133-Q138 HydrophobicContact CB-CG 4.36Å; L133-Q138 WeakPolarHBondContact O-CG 3.5Å; L133-Q138 PolarHBondContact O-NE2 3.28Å; P134-Q138 PolarHBondContact O-N 3.01Å; L135-Q138 PolarHBondContact O-N 3.17Å; Q138-T140 PolarHBondContact O-N 3.11Å; Q138-T140 VanDerWaalsContact O-N 3.16Å; Q138-A204 HydrophobicContact CB-CB 4.37Å; Q138-A204 HydrophobicContact CG-CB 3.99Å; Q138-D206 WeakPolarHBondContact O-CB 3.3Å; Q138-D206 VanDerWaalsContact O-OD2 3.09Å
139	R	58.8	Low	71.8	Confident	199 Å²	199	68.4 Å²	68.4	75%	0.751	36%	0.357	S	S	*	.	T	Hydrogen-bonded Turn	trans	-76.1	5.9	-172.5	-73.8	-172.8	175.6	-175	-0.5	116.2	L135 V137 D206	L135-R139 PolarHBondContact O-N 2.62Å; V137-R139 VanDerWaalsContact C-N 3.33Å; V137-R139 PolarHBondContact O-N 3.3Å; R139-D206 WeakPolarHBondContact CA-OD1 3.34Å
140	T	68.7	Low	73.9	Confident	65 Å²	65	66.5 Å²	66.5	40%	0.399	34%	0.337	S	S	.	.	T	Hydrogen-bonded Turn	trans	-135	-1.6	179.7	56.3	0	0	0	0	113.7	Q138 A142 R143 D206	Q138-T140 PolarHBondContact O-N 3.11Å; Q138-T140 VanDerWaalsContact O-N 3.16Å; T140-A142 PolarHBondContact O-N 2.72Å; T140-R143 PolarHBondContact O-N 2.86Å; T140-D206 PolarHBondContact N-OD2 3.5Å
141	I	80.9	Confident	75.5	Confident	3 Å²	3	68.9 Å²	68.9	2%	0.015	35%	0.348	C	S	.	.	H	α-helix	trans	-65.4	-42.4	-175.7	-74	166.9	0	0	0	110.7	L133 V137 R143 T144 I145 W164 A204 D206 V219	L133-I141 HydrophobicContact CD1-CD1 3.64Å; V137-I141 HydrophobicContact CG1-CD1 4.37Å; V137-I141 WeakPolarHBondContact O-CG1 3.05Å; I141-R143 PolarHBondContact O-N 3.38Å; I141-R143 VanDerWaalsContact O-N 3.08Å; I141-T144 PolarHBondContact O-N 2.65Å; I141-T144 PolarHBondContact O-OG1 2.75Å; I141-I145 HydrophobicContact CG2-CD1 3.5Å; I141-I145 VanDerWaalsContact CG2-CD1 3.5Å; I141-I145 HydrophobicContact CG2-CG1 4.07Å; I141-I145 WeakPolarHBondContact O-CG1 3.25Å; I141-I145 PolarHBondContact O-N 3.06Å; I141-W164 HydrophobicContact CD1-CH2 4.23Å; I141-W164 HydrophobicContact CD1-CZ2 4.32Å; I141-W164 HydrophobicContact CG1-CH2 4.36Å; I141-W164 HydrophobicContact CG1-CZ2 3.95Å; I141-W164 HydrophobicContact CG2-CD2 4.41Å; I141-W164 HydrophobicContact CG2-CZ2 4.47Å; I141-A204 HydrophobicContact CD1-CB 3.42Å; I141-A204 VanDerWaalsContact CD1-CB 3.42Å; I141-D206 PolarHBondContact N-OD2 2.84Å; I141-D206 VanDerWaalsContact N-OD2 3.11Å; I141-V219 HydrophobicContact CG2-CG2 4.36Å
142	A	82.8	Confident	76.7	Confident	0 Å²	0	69.9 Å²	69.9	0%	0	36%	0.36	C	S	.	.	H	α-helix	trans	-61.9	-24.9	-177.5	0	0	0	0	0	113.2	T140 D206 K208 W217	T140-A142 PolarHBondContact O-N 2.72Å; A142-D206 HydrophobicContact CB-CB 3.97Å; A142-D206 VanDerWaalsContact CB-OD2 3.29Å; A142-D206 WeakPolarHBondContact CB-OD2 3.28Å; A142-D206 PolarHBondContact N-OD2 3.45Å; A142-K208 HydrophobicContact CB-CB 4.07Å; A142-K208 HydrophobicContact CB-CD 4.37Å; A142-K208 WeakPolarHBondContact O-CE 3.39Å; A142-K208 PolarHBondContact O-NZ 3.44Å; A142-W217 HydrophobicContact CB-CD2 3.89Å; A142-W217 HydrophobicContact CB-CE3 3.63Å; A142-W217 HydrophobicContact CB-CG 4.32Å; A142-W217 HydrophobicContact CB-CZ3 4.16Å
143	R	83.5	Confident	77.8	Confident	193 Å²	193	77 Å²	77	73%	0.728	39%	0.388	S	S	*	.	H	α-helix	trans	-72.5	-31.2	176.3	-65.3	-176.9	178.9	173.6	-0.3	112.7	T140 I141	T140-R143 PolarHBondContact O-N 2.86Å; I141-R143 PolarHBondContact O-N 3.38Å; I141-R143 VanDerWaalsContact O-N 3.08Å
144	T	88.5	Confident	78.4	Confident	63 Å²	63	78.8 Å²	78.8	39%	0.387	41%	0.408	S	S	.	.	H	α-helix	trans	-93.9	-7.2	-176.7	61.2	0	0	0	0	113.4	I141 W164	I141-T144 PolarHBondContact O-N 2.65Å; I141-T144 PolarHBondContact O-OG1 2.75Å; T144-W164 PolarHBondContact OG1-NE1 3.37Å
145	I	93.1	Very high	79	Confident	4 Å²	4	83.1 Å²	83.1	2%	0.021	42%	0.416	C	S	.	.	P	Polyproline II helix	trans	-86.5	130.5	175.1	-65.7	173.1	0	0	0	111	I141 L147 W164 V169 V171 W217 V219	I141-I145 HydrophobicContact CG2-CD1 3.5Å; I141-I145 VanDerWaalsContact CG2-CD1 3.5Å; I141-I145 HydrophobicContact CG2-CG1 4.07Å; I141-I145 WeakPolarHBondContact O-CG1 3.25Å; I141-I145 PolarHBondContact O-N 3.06Å; I145-L147 HydrophobicContact CG2-CD2 4.39Å; I145-W164 HydrophobicContact CG1-CB 3.88Å; I145-W164 HydrophobicContact CG1-CG 3.85Å; I145-V169 HydrophobicContact CD1-CG2 4.32Å; I145-V169 HydrophobicContact CG2-CG2 4.29Å; I145-V171 HydrophobicContact CD1-CG2 4.33Å; I145-V171 HydrophobicContact CG2-CG2 4.04Å; I145-W217 HydrophobicContact CB-CZ3 3.82Å; I145-W217 HydrophobicContact CD1-CE3 4.45Å; I145-W217 HydrophobicContact CD1-CZ3 4.3Å; I145-W217 HydrophobicContact CG2-CH2 4.46Å; I145-W217 HydrophobicContact CG2-CZ3 3.79Å; I145-V219 HydrophobicContact CD1-CB 4.41Å; I145-V219 HydrophobicContact CD1-CG1 3.77Å; I145-V219 HydrophobicContact CD1-CG2 3.69Å
146	V	93.6	Very high	79.8	Confident	94 Å²	94	79 Å²	79	57%	0.57	39%	0.393	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-99.7	116.8	170.2	-176.7	0	0	0	0	109	G162 R163	V146-G162 CarbonylContact O-C 3.26Å; V146-G162 WeakPolarHBondContact O-CA 3.37Å; V146-R163 PolarHBondContact N-O 3.18Å; V146-R163 VanDerWaalsContact N-O 3.1Å; V146-R163 PolarHBondContact O-N 2.78Å
147	L	95	Very high	81.3	Confident	51 Å²	51	72.4 Å²	72.4	27%	0.267	36%	0.363	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.6	138.3	173.4	-59.9	178.5	0	0	0	110	I145 W160 V171 I173 W217	I145-L147 HydrophobicContact CG2-CD2 4.39Å; L147-W160 HydrophobicContact CB-CD2 4.42Å; L147-W160 HydrophobicContact CB-CE3 3.85Å; L147-W160 HydrophobicContact CB-CZ3 4.33Å; L147-W160 HydrophobicContact CD1-CD2 4.13Å; L147-W160 HydrophobicContact CD1-CE3 4.28Å; L147-W160 HydrophobicContact CD1-CG 4.39Å; L147-W160 HydrophobicContact CD2-CB 3.82Å; L147-W160 HydrophobicContact CD2-CG 4.26Å; L147-V171 HydrophobicContact CD2-CB 4.02Å; L147-V171 HydrophobicContact CD2-CG1 4.22Å; L147-V171 HydrophobicContact CD2-CG2 4.04Å; L147-I173 HydrophobicContact CD1-CD1 3.64Å; L147-I173 HydrophobicContact CD2-CD1 4.33Å; L147-W217 HydrophobicContact CD1-CH2 3.84Å; L147-W217 HydrophobicContact CD1-CZ2 3.79Å; L147-W217 HydrophobicContact CD2-CH2 3.56Å; L147-W217 HydrophobicContact CD2-CZ2 4.2Å; L147-W217 HydrophobicContact CD2-CZ3 3.95Å; L147-W217 HydrophobicContact CG-CH2 3.63Å; L147-W217 HydrophobicContact CG-CZ2 4.13Å; L147-W217 HydrophobicContact CG-CZ3 4.46Å
148	Q	94.3	Very high	82.9	Confident	86 Å²	86	72.9 Å²	72.9	40%	0.402	36%	0.362	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.6	-75.6	-178.9	-57.8	-171	-93.6	0	0	110.4	H161	Q148-H161 PolarHBondContact N-O 3Å; Q148-H161 PolarHBondContact OE1-CE1 3.31Å; Q148-H161 PolarHBondContact OE1-ND1 2.96Å
149	E	93.9	Very high	84.6	Confident	113 Å²	113	74.1 Å²	74.1	53%	0.528	37%	0.37	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.2	157.3	-176.2	63	-179.2	-160.3	0	0	112.7	W160 H161	E149-W160 CarbonylContact O-C 3.56Å; E149-W160 WeakPolarHBondContact O-CA 3.32Å; E149-H161 HydrophobicContact CG-CB 3.97Å; E149-H161 PolarHBondContact O-N 3.46Å
150	I	93.8	Very high	86.3	Confident	75 Å²	75	67.4 Å²	67.4	39%	0.385	34%	0.344	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-82	120.8	173.9	-60.9	173.4	0	0	0	108.1	W160	I150-W160 HydrophobicContact CD1-CH2 3.86Å; I150-W160 HydrophobicContact CD1-CZ2 3.55Å; I150-W160 HydrophobicContact CG1-CD2 3.72Å; I150-W160 VanDerWaalsContact CG1-CE2 3.44Å; I150-W160 HydrophobicContact CG1-CE3 3.87Å; I150-W160 HydrophobicContact CG1-CG 4.49Å; I150-W160 HydrophobicContact CG1-CH2 3.56Å; I150-W160 HydrophobicContact CG1-CZ2 3.37Å; I150-W160 HydrophobicContact CG1-CZ3 3.8Å
151	V	91.2	Very high	87.7	Confident	70 Å²	70	65.2 Å²	65.2	42%	0.424	33%	0.33	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.6	-32.4	-180	-177.5	0	0	0	0	110.9	V159 H161 Y222	V151-V159 PolarHBondContact N-O 2.82Å; V151-H161 HydrophobicContact CG2-CB 3.54Å; V151-Y222 HydrophobicContact CG2-CE2 4.03Å
152	G	85.8	Confident	88.4	Confident	30 Å²	30	65 Å²	65	31%	0.309	33%	0.329	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-169.3	161.4	179.1	0	0	0	0	0	113.8	V159	G152-V159 PolarHBondContact N-O 3.47Å; G152-V159 PolarHBondContact O-N 2.91Å
153	K	84.4	Confident	88.9	Confident	158 Å²	158	70.9 Å²	70.9	69%	0.687	35%	0.351	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-111.1	116.3	170.4	-58.4	-164.5	-176.1	-143.8	0	108.4	E158	K153-E158 HydrophobicContact CD-CG 4.46Å; K153-E158 VanDerWaalsContact CE-OE1 3.27Å; K153-E158 WeakPolarHBondContact CE-OE1 3.31Å; K153-E158 HydrophobicContact CG-CG 4.21Å; K153-E158 IonicContact NZ-OE1 3.34Å; K153-E158 PolarHBondContact NZ-OE1 3.17Å
154	G	72.4	Confident	89.3	Confident	44 Å²	44	62.5 Å²	62.5	45%	0.454	32%	0.319	S	S	.	.			trans	-91.4	-173.5	177.3	0	0	0	0	0	112.2	F156 G157	G154-F156 PolarHBondContact O-N 3.36Å; G154-G157 WeakPolarHBondContact CA-O 3.43Å; G154-G157 PolarHBondContact N-O 2.9Å
155	R	73	Confident	89.1	Confident	156 Å²	156	62.8 Å²	62.8	59%	0.589	32%	0.323	S	S	*	.	S	Bend	trans	-64.5	-37.2	179.6	179.1	175.3	173.5	162.5	1.5	113.5
156	F	75.3	Confident	88.7	Confident	33 Å²	33	65.3 Å²	65.3	15%	0.145	35%	0.35	C	S	.	.	S	Bend	trans	-119.8	6.7	-169.4	-54.9	-68.8	0	0	0	113.2	G154 F174 S181 L294	G154-F156 PolarHBondContact O-N 3.36Å; F156-F174 HydrophobicContact CB-CD1 3.75Å; F156-F174 HydrophobicContact CB-CE1 3.61Å; F156-F174 WeakPolarHBondContact O-CD1 3.34Å; F156-S181 WeakPolarHBondContact CD1-OG 3.1Å; F156-S181 WeakPolarHBondContact CE1-OG 3.39Å; F156-L294 HydrophobicContact CE2-CD2 4.36Å; F156-L294 HydrophobicContact CZ-CD2 4.25Å
157	G	81.3	Confident	88.5	Confident	17 Å²	17	65.2 Å²	65.2	18%	0.175	34%	0.343	C	S	.	.	E	Extended strand (participates in β ladder)	trans	171.2	176.6	-172.9	0	0	0	0	0	114.2	G154 I173	G154-G157 WeakPolarHBondContact CA-O 3.43Å; G154-G157 PolarHBondContact N-O 2.9Å; G157-I173 WeakPolarHBondContact CA-O 3.44Å
158	E	91	Very high	88.4	Confident	63 Å²	63	65.4 Å²	65.4	29%	0.294	35%	0.345	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.1	139	177.1	-57.8	-173.9	149.8	0	0	109.5	K153 K172 I173	K153-E158 HydrophobicContact CD-CG 4.46Å; K153-E158 VanDerWaalsContact CE-OE1 3.27Å; K153-E158 WeakPolarHBondContact CE-OE1 3.31Å; K153-E158 HydrophobicContact CG-CG 4.21Å; K153-E158 IonicContact NZ-OE1 3.34Å; K153-E158 PolarHBondContact NZ-OE1 3.17Å; E158-K172 WeakPolarHBondContact O-CA 3.25Å; E158-I173 PolarHBondContact N-O 2.94Å; E158-I173 VanDerWaalsContact N-O 3.15Å; E158-I173 PolarHBondContact O-N 2.7Å
159	V	94.8	Very high	88.5	Confident	39 Å²	39	61.3 Å²	61.3	24%	0.236	33%	0.326	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.5	122.9	175.3	-176	0	0	0	0	108.2	V151 G152 A170 V171 K172	V151-V159 PolarHBondContact N-O 2.82Å; G152-V159 PolarHBondContact N-O 3.47Å; G152-V159 PolarHBondContact O-N 2.91Å; V159-A170 HydrophobicContact CG1-CB 4.45Å; V159-V171 WeakPolarHBondContact CA-O 3.42Å; V159-K172 HydrophobicContact CG2-CB 4.27Å; V159-K172 HydrophobicContact CG2-CG 4.02Å
160	W	95.9	Very high	88.7	Confident	58 Å²	58	56.5 Å²	56.5	22%	0.22	31%	0.305	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110	143.7	179.7	-70.9	72.7	0	0	0	110.5	L147 E149 I150 A170 V171 I173	L147-W160 HydrophobicContact CB-CD2 4.42Å; L147-W160 HydrophobicContact CB-CE3 3.85Å; L147-W160 HydrophobicContact CB-CZ3 4.33Å; L147-W160 HydrophobicContact CD1-CD2 4.13Å; L147-W160 HydrophobicContact CD1-CE3 4.28Å; L147-W160 HydrophobicContact CD1-CG 4.39Å; L147-W160 HydrophobicContact CD2-CB 3.82Å; L147-W160 HydrophobicContact CD2-CG 4.26Å; E149-W160 CarbonylContact O-C 3.56Å; E149-W160 WeakPolarHBondContact O-CA 3.32Å; I150-W160 HydrophobicContact CD1-CH2 3.86Å; I150-W160 HydrophobicContact CD1-CZ2 3.55Å; I150-W160 HydrophobicContact CG1-CD2 3.72Å; I150-W160 VanDerWaalsContact CG1-CE2 3.44Å; I150-W160 HydrophobicContact CG1-CE3 3.87Å; I150-W160 HydrophobicContact CG1-CG 4.49Å; I150-W160 HydrophobicContact CG1-CH2 3.56Å; I150-W160 HydrophobicContact CG1-CZ2 3.37Å; I150-W160 HydrophobicContact CG1-CZ3 3.8Å; W160-A170 CarbonylContact O-C 3.46Å; W160-A170 WeakPolarHBondContact O-CA 3.28Å; W160-V171 HydrophobicContact CB-CB 4.41Å; W160-V171 PolarHBondContact N-O 2.71Å; W160-V171 PolarHBondContact O-N 3.26Å; W160-I173 HydrophobicContact CG-CD1 4.17Å
161	H	96.6	Very high	88.8	Confident	19 Å²	19	52.9 Å²	52.9	9%	0.088	29%	0.287	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.9	131.9	159.1	173.9	-122.9	0	0	0	107.8	Q148 E149 V151 D168 Y222	Q148-H161 PolarHBondContact N-O 3Å; Q148-H161 PolarHBondContact OE1-CE1 3.31Å; Q148-H161 PolarHBondContact OE1-ND1 2.96Å; E149-H161 HydrophobicContact CG-CB 3.97Å; E149-H161 PolarHBondContact O-N 3.46Å; V151-H161 HydrophobicContact CG2-CB 3.54Å; H161-D168 IonicContact CD2-OD1 2.97Å; H161-D168 IonicContact CE1-OD1 3.35Å; H161-D168 PolarHBondContact CE1-OD1 3.45Å; H161-D168 IonicContact NE2-OD1 3.86Å; H161-D168 PolarHBondContact NE2-OD1 2.78Å; H161-Y222 HydrophobicContact CB-CE2 4.16Å; H161-Y222 AromaticContact CD2-CD1 3.64Å; H161-Y222 AromaticContact CD2-CD2 3.83Å; H161-Y222 AromaticContact CD2-CE1 3.61Å; H161-Y222 AromaticContact CD2-CE2 3.86Å; H161-Y222 AromaticContact CD2-CG 3.74Å; H161-Y222 AromaticContact CD2-CZ 3.73Å; H161-Y222 AromaticContact NE2-CD1 3.91Å; H161-Y222 AromaticContact NE2-CE1 3.87Å
162	G	95.9	Very high	89	Confident	0 Å²	0	50.4 Å²	50.4	0%	0	27%	0.27	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.7	164.5	179.1	0	0	0	0	0	111.3	V146 V169	V146-G162 CarbonylContact O-C 3.26Å; V146-G162 WeakPolarHBondContact O-CA 3.37Å; G162-V169 PolarHBondContact N-O 2.81Å; G162-V169 WeakPolarHBondContact O-CG2 3.33Å; G162-V169 PolarHBondContact O-N 2.83Å
163	R	94.3	Very high	89.4	Confident	123 Å²	123	49.8 Å²	49.8	46%	0.464	26%	0.26	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.6	128.1	176.3	-172.6	168.9	-70.7	-159	-7.4	110.2	V146 E167	V146-R163 PolarHBondContact N-O 3.18Å; V146-R163 VanDerWaalsContact N-O 3.1Å; V146-R163 PolarHBondContact O-N 2.78Å; R163-E167 WeakPolarHBondContact CA-O 3.47Å
164	W	90.6	Very high	89.8	Confident	16 Å²	16	42.4 Å²	42.4	6%	0.061	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.8	120.6	176.7	-170.6	41.8	0	0	0	110.5	L117 L133 I141 T144 I145 G166 E167 V169 I203	L117-W164 HydrophobicContact CD1-CE3 3.73Å; L117-W164 HydrophobicContact CD1-CH2 4.01Å; L117-W164 HydrophobicContact CD1-CZ3 3.21Å; L117-W164 HydrophobicContact CD2-CE3 3.95Å; L117-W164 HydrophobicContact CD2-CZ3 4.25Å; L117-W164 HydrophobicContact CG-CZ3 4.37Å; L133-W164 HydrophobicContact CD1-CH2 3.51Å; L133-W164 HydrophobicContact CD1-CZ3 4.03Å; I141-W164 HydrophobicContact CD1-CH2 4.23Å; I141-W164 HydrophobicContact CD1-CZ2 4.32Å; I141-W164 HydrophobicContact CG1-CH2 4.36Å; I141-W164 HydrophobicContact CG1-CZ2 3.95Å; I141-W164 HydrophobicContact CG2-CD2 4.41Å; I141-W164 HydrophobicContact CG2-CZ2 4.47Å; T144-W164 PolarHBondContact OG1-NE1 3.37Å; I145-W164 HydrophobicContact CG1-CB 3.88Å; I145-W164 HydrophobicContact CG1-CG 3.85Å; W164-G166 PolarHBondContact O-N 3.42Å; W164-E167 PolarHBondContact N-O 3.5Å; W164-E167 WeakPolarHBondContact O-CB 3.42Å; W164-E167 PolarHBondContact O-N 3.14Å; W164-V169 HydrophobicContact CB-CG1 3.96Å; W164-V169 HydrophobicContact CB-CG2 4.06Å; W164-I203 HydrophobicContact CE3-CG2 4.29Å; W164-I203 HydrophobicContact CZ3-CG2 3.69Å
165	C	86	Confident	90.8	Very high	69 Å²	69	42.7 Å²	42.7	47%	0.466	22%	0.223	S	C	.	.	T	Hydrogen-bonded Turn	trans	50.5	33.3	-177.2	-63.7	0	0	0	0	113.9	E167	C165-E167 VanDerWaalsContact C-N 3.3Å; C165-E167 PolarHBondContact O-N 2.93Å
166	G	83.2	Confident	91.5	Very high	57 Å²	57	38.4 Å²	38.4	59%	0.588	22%	0.216	S	C	*	.	T	Hydrogen-bonded Turn	trans	84.6	-7.3	-178	0	0	0	0	0	115.5	W164	W164-G166 PolarHBondContact O-N 3.42Å
167	E	89.1	Confident	92.2	Very high	92 Å²	92	47.6 Å²	47.6	43%	0.43	25%	0.25	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.1	151.1	179.7	-66.1	-75.1	162.5	0	0	111.7	L117 R163 W164 C165	L117-E167 HydrophobicContact CB-CB 4.35Å; L117-E167 HydrophobicContact CB-CG 3.9Å; L117-E167 HydrophobicContact CD2-CB 4.01Å; L117-E167 HydrophobicContact CD2-CG 4.49Å; R163-E167 WeakPolarHBondContact CA-O 3.47Å; W164-E167 PolarHBondContact N-O 3.5Å; W164-E167 WeakPolarHBondContact O-CB 3.42Å; W164-E167 PolarHBondContact O-N 3.14Å; C165-E167 VanDerWaalsContact C-N 3.3Å; C165-E167 PolarHBondContact O-N 2.93Å
168	D	94.8	Very high	92.6	Very high	55 Å²	55	49.5 Å²	49.5	29%	0.294	26%	0.256	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.3	129.1	178.5	-64.9	-54.8	0	0	0	111.5	H161 Y222	H161-D168 IonicContact CD2-OD1 2.97Å; H161-D168 IonicContact CE1-OD1 3.35Å; H161-D168 PolarHBondContact CE1-OD1 3.45Å; H161-D168 IonicContact NE2-OD1 3.86Å; H161-D168 PolarHBondContact NE2-OD1 2.78Å; D168-Y222 HydrophobicContact CB-CD1 3.71Å; D168-Y222 HydrophobicContact CB-CG 4.16Å; D168-Y222 WeakPolarHBondContact O-CB 3.35Å
169	V	96.4	Very high	92.6	Very high	0 Å²	0	52 Å²	52	0%	0	27%	0.268	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.8	149.9	178.8	-63.9	0	0	0	0	111.4	L117 I145 G162 W164 V171 I203 V219	L117-V169 HydrophobicContact CD2-CG1 4.21Å; I145-V169 HydrophobicContact CD1-CG2 4.32Å; I145-V169 HydrophobicContact CG2-CG2 4.29Å; G162-V169 PolarHBondContact N-O 2.81Å; G162-V169 WeakPolarHBondContact O-CG2 3.33Å; G162-V169 PolarHBondContact O-N 2.83Å; W164-V169 HydrophobicContact CB-CG1 3.96Å; W164-V169 HydrophobicContact CB-CG2 4.06Å; V169-V171 HydrophobicContact CG2-CG2 4.17Å; V169-I203 HydrophobicContact CG1-CD1 3.85Å; V169-V219 HydrophobicContact CB-CG1 4.06Å; V169-V219 HydrophobicContact CG1-CG1 4.37Å; V169-V219 HydrophobicContact CG2-CG1 4.3Å
170	A	96.6	Very high	92.4	Very high	12 Å²	12	60.1 Å²	60.1	10%	0.099	30%	0.295	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.9	126.3	170.1	0	0	0	0	0	109.4	V159 W160 V219 S220 Y222	V159-A170 HydrophobicContact CG1-CB 4.45Å; W160-A170 CarbonylContact O-C 3.46Å; W160-A170 WeakPolarHBondContact O-CA 3.28Å; A170-V219 WeakPolarHBondContact O-CA 3.41Å; A170-S220 PolarHBondContact N-O 2.88Å; A170-S220 PolarHBondContact O-N 2.88Å; A170-S220 PolarHBondContact O-OG 2.68Å; A170-Y222 HydrophobicContact CB-CD2 4.26Å
171	V	96.1	Very high	92.2	Very high	0 Å²	0	58.7 Å²	58.7	0%	0	29%	0.293	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.9	109	-178.9	-174.4	0	0	0	0	109.5	I145 L147 V159 W160 V169 I173 W217 L218	I145-V171 HydrophobicContact CD1-CG2 4.33Å; I145-V171 HydrophobicContact CG2-CG2 4.04Å; L147-V171 HydrophobicContact CD2-CB 4.02Å; L147-V171 HydrophobicContact CD2-CG1 4.22Å; L147-V171 HydrophobicContact CD2-CG2 4.04Å; V159-V171 WeakPolarHBondContact CA-O 3.42Å; W160-V171 HydrophobicContact CB-CB 4.41Å; W160-V171 PolarHBondContact N-O 2.71Å; W160-V171 PolarHBondContact O-N 3.26Å; V169-V171 HydrophobicContact CG2-CG2 4.17Å; V171-I173 HydrophobicContact CG1-CD1 4.29Å; V171-I173 HydrophobicContact CG1-CG1 3.76Å; V171-W217 HydrophobicContact CB-CE3 4.45Å; V171-W217 HydrophobicContact CG1-CB 4.22Å; V171-W217 HydrophobicContact CG1-CD2 3.54Å; V171-W217 HydrophobicContact CG1-CE3 3.27Å; V171-W217 HydrophobicContact CG1-CG 3.97Å; V171-W217 HydrophobicContact CG1-CH2 4.44Å; V171-W217 HydrophobicContact CG1-CZ3 3.76Å; V171-W217 HydrophobicContact CG2-CE3 4.36Å; V171-W217 HydrophobicContact CG2-CZ3 4.28Å; V171-L218 WeakPolarHBondContact CA-O 3.31Å
172	K	95.5	Very high	92.1	Very high	18 Å²	18	59.2 Å²	59.2	8%	0.078	29%	0.294	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.9	117.3	171.1	-168.5	177.3	-171.9	-174.4	0	108.7	E158 V159 F174 E185 L218 D291	E158-K172 WeakPolarHBondContact O-CA 3.25Å; V159-K172 HydrophobicContact CG2-CB 4.27Å; V159-K172 HydrophobicContact CG2-CG 4.02Å; K172-F174 HydrophobicContact CB-CE2 4.07Å; K172-F174 HydrophobicContact CD-CE1 4.48Å; K172-F174 HydrophobicContact CD-CE2 3.79Å; K172-F174 HydrophobicContact CD-CZ 3.54Å; K172-F174 HydrophobicContact CG-CD2 4.37Å; K172-F174 HydrophobicContact CG-CE2 3.61Å; K172-F174 HydrophobicContact CG-CZ 3.82Å; K172-E185 IonicContact NZ-OE1 3.97Å; K172-E185 PolarHBondContact NZ-OE1 2.84Å; K172-E185 IonicContact NZ-OE2 2.77Å; K172-E185 PolarHBondContact NZ-OE2 2.95Å; K172-L218 HydrophobicContact CB-CB 4.31Å; K172-L218 PolarHBondContact N-O 2.86Å; K172-L218 PolarHBondContact O-N 2.85Å; K172-D291 IonicContact NZ-OD1 2.7Å; K172-D291 PolarHBondContact NZ-OD1 2.89Å
173	I	94.3	Very high	91.9	Very high	16 Å²	16	65.1 Å²	65.1	8%	0.082	32%	0.32	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.6	123.1	-175.9	-55.3	-179.5	0	0	0	109.4	L147 G157 E158 W160 V171 Q215 L216 W217	L147-I173 HydrophobicContact CD1-CD1 3.64Å; L147-I173 HydrophobicContact CD2-CD1 4.33Å; G157-I173 WeakPolarHBondContact CA-O 3.44Å; E158-I173 PolarHBondContact N-O 2.94Å; E158-I173 VanDerWaalsContact N-O 3.15Å; E158-I173 PolarHBondContact O-N 2.7Å; W160-I173 HydrophobicContact CG-CD1 4.17Å; V171-I173 HydrophobicContact CG1-CD1 4.29Å; V171-I173 HydrophobicContact CG1-CG1 3.76Å; I173-Q215 HydrophobicContact CG2-CB 3.85Å; I173-Q215 HydrophobicContact CG2-CG 4.05Å; I173-L216 WeakPolarHBondContact CA-O 3.21Å; I173-W217 HydrophobicContact CD1-CZ2 3.97Å; I173-W217 HydrophobicContact CG1-CD2 4.43Å; I173-W217 HydrophobicContact CG1-CG 4.38Å
174	F	93.8	Very high	91.8	Very high	3 Å²	3	60.9 Å²	60.9	1%	0.013	30%	0.304	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.1	149.9	177.8	-57.6	-108.3	0	0	0	110.6	F156 K172 D178 W182 E185 L216 L218	F156-F174 HydrophobicContact CB-CD1 3.75Å; F156-F174 HydrophobicContact CB-CE1 3.61Å; F156-F174 WeakPolarHBondContact O-CD1 3.34Å; K172-F174 HydrophobicContact CB-CE2 4.07Å; K172-F174 HydrophobicContact CD-CE1 4.48Å; K172-F174 HydrophobicContact CD-CE2 3.79Å; K172-F174 HydrophobicContact CD-CZ 3.54Å; K172-F174 HydrophobicContact CG-CD2 4.37Å; K172-F174 HydrophobicContact CG-CE2 3.61Å; K172-F174 HydrophobicContact CG-CZ 3.82Å; F174-D178 HydrophobicContact CB-CB 4.42Å; F174-D178 HydrophobicContact CD1-CB 4.35Å; F174-W182 HydrophobicContact CB-CB 4.14Å; F174-W182 HydrophobicContact CD1-CB 4.03Å; F174-W182 HydrophobicContact CD2-CB 3.92Å; F174-W182 AromaticContact CD2-CD1 3.61Å; F174-W182 HydrophobicContact CD2-CG 4.15Å; F174-W182 HydrophobicContact CE1-CB 4.36Å; F174-W182 HydrophobicContact CE2-CB 4.27Å; F174-W182 AromaticContact CE2-CD1 3.84Å; F174-W182 HydrophobicContact CE2-CG 4.48Å; F174-W182 HydrophobicContact CG-CB 3.79Å; F174-W182 HydrophobicContact CG-CG 4.45Å; F174-W182 HydrophobicContact CZ-CB 4.47Å; F174-E185 WeakPolarHBondContact CZ-OE2 3.45Å; F174-L216 HydrophobicContact CB-CB 4.22Å; F174-L216 PolarHBondContact N-O 3.07Å; F174-L216 PolarHBondContact O-N 2.89Å; F174-L216 VanDerWaalsContact O-N 3.11Å; F174-L218 HydrophobicContact CE2-CB 4.08Å
175	S	91.7	Very high	92	Very high	51 Å²	51	60.3 Å²	60.3	36%	0.357	30%	0.302	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-71.4	154.2	166.5	-176.3	0	0	0	0	110.2	R177 D178	S175-R177 PolarHBondContact O-N 3.4Å; S175-R177 VanDerWaalsContact O-N 3.11Å; S175-R177 PolarHBondContact OG-N 2.95Å; S175-D178 PolarHBondContact O-N 3.42Å
176	S	88.6	Confident	92.4	Very high	65 Å²	65	57.2 Å²	57.2	46%	0.455	28%	0.282	S	S	.	.	G	3₁₀ helix	trans	-56.8	-22.7	169	57.1	0	0	0	0	113.4	D178	S176-D178 VanDerWaalsContact C-N 3.26Å; S176-D178 PolarHBondContact O-N 2.89Å
177	R	89.6	Confident	93	Very high	226 Å²	226	57.7 Å²	57.7	85%	0.853	27%	0.269	S	S	*	.	G	3₁₀ helix	trans	-68.7	-24.9	173.8	-62.1	-179.5	-177.8	178.3	0.6	113.2	S175	S175-R177 PolarHBondContact O-N 3.4Å; S175-R177 VanDerWaalsContact O-N 3.11Å; S175-R177 PolarHBondContact OG-N 2.95Å
178	D	90.2	Very high	93.2	Very high	57 Å²	57	53.3 Å²	53.3	31%	0.305	25%	0.248	S	C	.	.	G	3₁₀ helix	trans	-102.9	21.7	-176.6	-59.8	-57.4	0	0	0	112.1	F174 S175 S176 R180 S181 W182	F174-D178 HydrophobicContact CB-CB 4.42Å; F174-D178 HydrophobicContact CD1-CB 4.35Å; S175-D178 PolarHBondContact O-N 3.42Å; S176-D178 VanDerWaalsContact C-N 3.26Å; S176-D178 PolarHBondContact O-N 2.89Å; D178-R180 VanDerWaalsContact C-N 3.25Å; D178-R180 PolarHBondContact O-N 3.27Å; D178-S181 WeakPolarHBondContact O-CB 3.46Å; D178-S181 PolarHBondContact O-N 2.83Å; D178-W182 PolarHBondContact O-N 2.59Å
179	E	91.2	Very high	93.3	Very high	116 Å²	116	50.9 Å²	50.9	54%	0.542	24%	0.235	S	C	.	.	H	α-helix	trans	-53.8	-39.6	-178.2	-176.9	-179.7	-166.9	0	0	112.9	S181 W182 F183 L216	E179-S181 VanDerWaalsContact C-N 3.3Å; E179-S181 PolarHBondContact O-N 2.69Å; E179-W182 HydrophobicContact CG-CE3 4.5Å; E179-W182 PolarHBondContact O-N 2.89Å; E179-F183 VanDerWaalsContact O-CB 3.23Å; E179-F183 WeakPolarHBondContact O-CB 3.35Å; E179-F183 PolarHBondContact O-N 3.3Å; E179-L216 HydrophobicContact CB-CD1 3.76Å; E179-L216 HydrophobicContact CG-CD1 3.95Å
180	R	90.6	Very high	93.1	Very high	210 Å²	210	54 Å²	54	79%	0.792	25%	0.249	S	C	*	.	H	α-helix	trans	-62.1	-38.3	177.3	-66.1	-178.5	-177.5	174	0.7	112.2	D178 R184	D178-R180 VanDerWaalsContact C-N 3.25Å; D178-R180 PolarHBondContact O-N 3.27Å; R180-R184 VanDerWaalsContact O-CB 3.28Å; R180-R184 WeakPolarHBondContact O-CB 3.21Å; R180-R184 PolarHBondContact O-N 2.94Å
181	S	91.1	Very high	92.9	Very high	27 Å²	27	54 Å²	54	19%	0.189	25%	0.249	C	C	.	.	H	α-helix	trans	-72.2	-43.5	178.2	-67.8	0	0	0	0	111.3	F156 D178 E179 R184 E185	F156-S181 WeakPolarHBondContact CD1-OG 3.1Å; F156-S181 WeakPolarHBondContact CE1-OG 3.39Å; D178-S181 WeakPolarHBondContact O-CB 3.46Å; D178-S181 PolarHBondContact O-N 2.83Å; E179-S181 VanDerWaalsContact C-N 3.3Å; E179-S181 PolarHBondContact O-N 2.69Å; S181-R184 PolarHBondContact O-N 2.86Å; S181-E185 WeakPolarHBondContact O-CB 3.36Å; S181-E185 PolarHBondContact O-N 3.04Å
182	W	93.9	Very high	92.7	Very high	30 Å²	30	55.7 Å²	55.7	11%	0.114	26%	0.259	C	S	.	.	H	α-helix	trans	-59.7	-49.5	173.5	168.5	82	0	0	0	111.6	F174 D178 E179 R184 E185 A186 A205 L216 W217	F174-W182 HydrophobicContact CB-CB 4.14Å; F174-W182 HydrophobicContact CD1-CB 4.03Å; F174-W182 HydrophobicContact CD2-CB 3.92Å; F174-W182 AromaticContact CD2-CD1 3.61Å; F174-W182 HydrophobicContact CD2-CG 4.15Å; F174-W182 HydrophobicContact CE1-CB 4.36Å; F174-W182 HydrophobicContact CE2-CB 4.27Å; F174-W182 AromaticContact CE2-CD1 3.84Å; F174-W182 HydrophobicContact CE2-CG 4.48Å; F174-W182 HydrophobicContact CG-CB 3.79Å; F174-W182 HydrophobicContact CG-CG 4.45Å; F174-W182 HydrophobicContact CZ-CB 4.47Å; D178-W182 PolarHBondContact O-N 2.59Å; E179-W182 HydrophobicContact CG-CE3 4.5Å; E179-W182 PolarHBondContact O-N 2.89Å; W182-R184 VanDerWaalsContact C-N 3.34Å; W182-R184 PolarHBondContact O-N 2.89Å; W182-E185 PolarHBondContact O-N 3.25Å; W182-A186 WeakPolarHBondContact O-CB 3.38Å; W182-A186 PolarHBondContact O-N 3.16Å; W182-A205 HydrophobicContact CZ2-CB 3.82Å; W182-L216 HydrophobicContact CB-CB 4.24Å; W182-L216 HydrophobicContact CB-CD1 4.06Å; W182-L216 HydrophobicContact CD2-CB 3.8Å; W182-L216 HydrophobicContact CD2-CD1 4.09Å; W182-L216 HydrophobicContact CD2-CG 4.41Å; W182-L216 HydrophobicContact CE3-CB 4.45Å; W182-L216 HydrophobicContact CE3-CD1 4.04Å; W182-L216 HydrophobicContact CG-CB 3.65Å; W182-L216 HydrophobicContact CG-CD1 4.11Å; W182-W217 PolarHBondContact NE1-O 3.15Å
183	F	92.9	Very high	92.5	Very high	124 Å²	124	59.4 Å²	59.4	54%	0.544	28%	0.278	S	S	.	.	H	α-helix	trans	-59.9	-46	-179.7	-178.2	-92.2	0	0	0	110.9	E179 E185 A186 E187	E179-F183 VanDerWaalsContact O-CB 3.23Å; E179-F183 WeakPolarHBondContact O-CB 3.35Å; E179-F183 PolarHBondContact O-N 3.3Å; F183-E185 PolarHBondContact O-N 3.06Å; F183-A186 PolarHBondContact O-N 2.65Å; F183-E187 WeakPolarHBondContact O-CB 3.22Å; F183-E187 PolarHBondContact O-N 3.47Å
184	R	92.4	Very high	92.5	Very high	34 Å²	34	58.8 Å²	58.8	13%	0.128	27%	0.274	C	S	.	.	H	α-helix	trans	-59.8	-47.5	177.4	179.6	56.4	174.1	-172.1	-4.5	111.9	R180 S181 W182 E187 I188 G293 A295 D306	R180-R184 VanDerWaalsContact O-CB 3.28Å; R180-R184 WeakPolarHBondContact O-CB 3.21Å; R180-R184 PolarHBondContact O-N 2.94Å; S181-R184 PolarHBondContact O-N 2.86Å; W182-R184 VanDerWaalsContact C-N 3.34Å; W182-R184 PolarHBondContact O-N 2.89Å; R184-E187 IonicContact CZ-OE2 3.05Å; R184-E187 IonicContact NH1-OE2 2.75Å; R184-E187 PolarHBondContact NH1-OE2 3.04Å; R184-E187 PolarHBondContact O-N 2.72Å; R184-I188 VanDerWaalsContact O-CG1 3.31Å; R184-I188 WeakPolarHBondContact O-CG1 3.35Å; R184-I188 PolarHBondContact O-N 2.73Å; R184-G293 WeakPolarHBondContact CG-O 3.5Å; R184-A295 PolarHBondContact NE-O 3.02Å; R184-A295 PolarHBondContact NH2-O 2.86Å; R184-D306 IonicContact CZ-OD1 4Å; R184-D306 IonicContact CZ-OD2 2.73Å; R184-D306 VanDerWaalsContact CZ-OD2 3.23Å; R184-D306 IonicContact NH1-OD2 2.89Å; R184-D306 PolarHBondContact NH1-OD2 3.22Å; R184-D306 PolarHBondContact NH2-O 2.98Å; R184-D306 IonicContact NH2-OD1 3.9Å; R184-D306 PolarHBondContact NH2-OD1 3.22Å; R184-D306 IonicContact NH2-OD2 3.23Å; R184-D306 PolarHBondContact NH2-OD2 2.89Å
185	E	94.7	Very high	92.4	Very high	4 Å²	4	62.1 Å²	62.1	2%	0.019	29%	0.287	C	S	.	.	H	α-helix	trans	-66.2	-42.7	-178.8	-166.3	168.7	169.3	0	0	111.5	K172 F174 S181 W182 F183 I188 Y189 L218	K172-E185 IonicContact NZ-OE1 3.97Å; K172-E185 PolarHBondContact NZ-OE1 2.84Å; K172-E185 IonicContact NZ-OE2 2.77Å; K172-E185 PolarHBondContact NZ-OE2 2.95Å; F174-E185 WeakPolarHBondContact CZ-OE2 3.45Å; S181-E185 WeakPolarHBondContact O-CB 3.36Å; S181-E185 PolarHBondContact O-N 3.04Å; W182-E185 PolarHBondContact O-N 3.25Å; F183-E185 PolarHBondContact O-N 3.06Å; E185-I188 PolarHBondContact O-N 2.89Å; E185-Y189 HydrophobicContact CG-CD2 3.86Å; E185-Y189 HydrophobicContact CG-CE2 3.59Å; E185-Y189 WeakPolarHBondContact O-CD2 3.45Å; E185-Y189 PolarHBondContact O-N 3.3Å; E185-L218 HydrophobicContact CB-CD1 3.98Å; E185-L218 HydrophobicContact CG-CD1 3.63Å
186	A	94.1	Very high	92.6	Very high	4 Å²	4	61.8 Å²	61.8	3%	0.033	28%	0.279	C	S	.	.	H	α-helix	trans	-62	-43.7	174.3	0	0	0	0	0	112.3	W182 F183 I188 Y189 Q190 A205	W182-A186 WeakPolarHBondContact O-CB 3.38Å; W182-A186 PolarHBondContact O-N 3.16Å; F183-A186 PolarHBondContact O-N 2.65Å; A186-I188 PolarHBondContact O-N 2.91Å; A186-Y189 PolarHBondContact O-N 2.91Å; A186-Q190 WeakPolarHBondContact O-CB 3.18Å; A186-Q190 VanDerWaalsContact O-CG 3.25Å; A186-Q190 WeakPolarHBondContact O-CG 3.42Å; A186-Q190 PolarHBondContact O-N 2.95Å; A186-A205 HydrophobicContact CB-CB 3.81Å
187	E	94.4	Very high	93	Very high	67 Å²	67	64.7 Å²	64.7	31%	0.313	29%	0.286	S	S	.	.	H	α-helix	trans	-58.7	-46.1	176.2	-174.3	-154.6	-179.4	0	0	111.2	F183 R184 Q190 T191 K297	F183-E187 WeakPolarHBondContact O-CB 3.22Å; F183-E187 PolarHBondContact O-N 3.47Å; R184-E187 IonicContact CZ-OE2 3.05Å; R184-E187 IonicContact NH1-OE2 2.75Å; R184-E187 PolarHBondContact NH1-OE2 3.04Å; R184-E187 PolarHBondContact O-N 2.72Å; E187-Q190 PolarHBondContact O-N 3.02Å; E187-T191 PolarHBondContact O-N 3.49Å; E187-T191 PolarHBondContact O-OG1 3Å; E187-K297 IonicContact OE1-NZ 3.78Å; E187-K297 PolarHBondContact OE1-NZ 2.97Å
188	I	95.2	Very high	93.4	Very high	0 Å²	0	54.1 Å²	54.1	0%	0	25%	0.246	C	C	.	.	H	α-helix	trans	-63	-50.9	177.4	-64.9	-66.8	0	0	0	109.8	R184 E185 A186 Q190 T191 L194 L292 A295 K297	R184-I188 VanDerWaalsContact O-CG1 3.31Å; R184-I188 WeakPolarHBondContact O-CG1 3.35Å; R184-I188 PolarHBondContact O-N 2.73Å; E185-I188 PolarHBondContact O-N 2.89Å; A186-I188 PolarHBondContact O-N 2.91Å; I188-Q190 PolarHBondContact O-N 2.95Å; I188-T191 WeakPolarHBondContact O-CB 3.39Å; I188-T191 PolarHBondContact O-N 3.21Å; I188-T191 PolarHBondContact O-OG1 3.48Å; I188-L194 WeakPolarHBondContact O-CD2 3.25Å; I188-L292 HydrophobicContact CB-CB 4.38Å; I188-L292 HydrophobicContact CG2-CB 3.67Å; I188-L292 HydrophobicContact CG2-CD1 3.88Å; I188-L292 HydrophobicContact CG2-CG 4.4Å; I188-A295 HydrophobicContact CD1-CB 4.31Å; I188-A295 HydrophobicContact CG1-CB 4.3Å; I188-A295 HydrophobicContact CG2-CB 4.18Å; I188-K297 HydrophobicContact CD1-CD 3.9Å; I188-K297 HydrophobicContact CD1-CG 3.72Å
189	Y	95.3	Very high	93.8	Very high	4 Å²	4	51.7 Å²	51.7	2%	0.016	23%	0.233	C	C	.	.	H	α-helix	trans	-60.6	-31.9	-179.9	-81.9	-63.7	0	0	0	113.8	S131 E185 A186 T191 L194 L200 F202 L218 D291 L292	S131-Y189 VanDerWaalsContact CB-O 3.29Å; S131-Y189 WeakPolarHBondContact CB-O 3.5Å; S131-Y189 PolarHBondContact OG-O 3.05Å; E185-Y189 HydrophobicContact CG-CD2 3.86Å; E185-Y189 HydrophobicContact CG-CE2 3.59Å; E185-Y189 WeakPolarHBondContact O-CD2 3.45Å; E185-Y189 PolarHBondContact O-N 3.3Å; A186-Y189 PolarHBondContact O-N 2.91Å; Y189-T191 PolarHBondContact O-N 3.03Å; Y189-L194 HydrophobicContact CD1-CD2 4.44Å; Y189-L200 HydrophobicContact CE1-CB 4.37Å; Y189-F202 HydrophobicContact CD1-CB 3.82Å; Y189-F202 HydrophobicContact CD1-CG 4.5Å; Y189-F202 HydrophobicContact CD2-CD2 4.24Å; Y189-F202 HydrophobicContact CG-CB 3.93Å; Y189-F202 AromaticContact CG-CD2 3.96Å; Y189-F202 HydrophobicContact CG-CD2 3.96Å; Y189-F202 HydrophobicContact CG-CG 4.11Å; Y189-L218 HydrophobicContact CD2-CD1 3.98Å; Y189-L218 HydrophobicContact CD2-CD2 4.31Å; Y189-L218 HydrophobicContact CE2-CD1 4.17Å; Y189-L218 HydrophobicContact CE2-CD2 4.25Å; Y189-D291 PolarHBondContact OH-N 3.43Å; Y189-D291 VanDerWaalsContact OH-N 3.13Å; Y189-L292 HydrophobicContact CD1-CD1 3.87Å; Y189-L292 HydrophobicContact CE1-CD1 3.6Å; Y189-L292 HydrophobicContact CE1-CG 3.96Å; Y189-L292 HydrophobicContact CE2-CB 4.41Å
190	Q	93.4	Very high	94.1	Very high	65 Å²	65	46.9 Å²	46.9	30%	0.304	21%	0.211	S	C	.	.	T	Hydrogen-bonded Turn	trans	-77.4	-4.4	178.1	-72.1	173.5	42.2	0	0	113.8	S131 A186 E187 I188 V192 F202	S131-Q190 PolarHBondContact N-O 3.2Å; A186-Q190 WeakPolarHBondContact O-CB 3.18Å; A186-Q190 VanDerWaalsContact O-CG 3.25Å; A186-Q190 WeakPolarHBondContact O-CG 3.42Å; A186-Q190 PolarHBondContact O-N 2.95Å; E187-Q190 PolarHBondContact O-N 3.02Å; I188-Q190 PolarHBondContact O-N 2.95Å; Q190-V192 PolarHBondContact O-N 3.27Å; Q190-F202 HydrophobicContact CG-CD1 4.42Å; Q190-F202 HydrophobicContact CG-CE1 3.61Å; Q190-F202 HydrophobicContact CG-CZ 3.98Å
191	T	92.7	Very high	94.2	Very high	14 Å²	14	37 Å²	37	9%	0.086	18%	0.175	C	C	.	.			trans	-52.5	134	178.7	-59.4	0	0	0	0	111.4	E187 I188 Y189 L194 K266 P267 I269	E187-T191 PolarHBondContact O-N 3.49Å; E187-T191 PolarHBondContact O-OG1 3Å; I188-T191 WeakPolarHBondContact O-CB 3.39Å; I188-T191 PolarHBondContact O-N 3.21Å; I188-T191 PolarHBondContact O-OG1 3.48Å; Y189-T191 PolarHBondContact O-N 3.03Å; T191-L194 WeakPolarHBondContact O-CB 3.39Å; T191-L194 PolarHBondContact O-N 2.79Å; T191-L194 VanDerWaalsContact O-N 3.16Å; T191-K266 HydrophobicContact CG2-CG 4.35Å; T191-P267 HydrophobicContact CG2-CG 3.91Å; T191-I269 HydrophobicContact CG2-CD1 4.23Å
192	V	90.5	Very high	94.4	Very high	35 Å²	35	35.8 Å²	35.8	21%	0.212	17%	0.166	C	C	.	.	T	Hydrogen-bonded Turn	trans	-56.7	138.3	179.3	176.6	0	0	0	0	110.7	Q190 L194 Q264 K266	Q190-V192 PolarHBondContact O-N 3.27Å; V192-L194 PolarHBondContact O-N 3.39Å; V192-Q264 HydrophobicContact CG1-CB 3.73Å; V192-Q264 WeakPolarHBondContact CG1-O 3.46Å; V192-K266 WeakPolarHBondContact O-CB 3.26Å; V192-K266 WeakPolarHBondContact O-CG 3.31Å
193	M	91.1	Very high	94.2	Very high	96 Å²	96	34.4 Å²	34.4	47%	0.473	16%	0.161	S	C	.	.	T	Hydrogen-bonded Turn	trans	54.3	19.9	-176.9	-61.5	-178.7	79.9	0	0	115.2	H255 I260 K266	M193-H255 PolarHBondContact O-CE1 2.89Å; M193-H255 PolarHBondContact O-NE2 3.23Å; M193-H255 VanDerWaalsContact O-NE2 3.09Å; M193-I260 HydrophobicContact CB-CD1 4.22Å; M193-I260 HydrophobicContact CE-CD1 3.98Å; M193-I260 HydrophobicContact CE-CG2 3.91Å; M193-I260 HydrophobicContact SD-CB 4.47Å; M193-I260 HydrophobicContact SD-CD1 4.36Å; M193-I260 HydrophobicContact SD-CG2 3.83Å; M193-K266 HydrophobicContact CB-CB 4.13Å
194	L	94.4	Very high	94.1	Very high	2 Å²	2	28.5 Å²	28.5	1%	0.01	14%	0.135	C	C	.	.			trans	-70.4	-33.2	175.9	-176.7	64.3	0	0	0	112.9	I188 Y189 T191 V192 H196 H255 L256 I269 L292	I188-L194 WeakPolarHBondContact O-CD2 3.25Å; Y189-L194 HydrophobicContact CD1-CD2 4.44Å; T191-L194 WeakPolarHBondContact O-CB 3.39Å; T191-L194 PolarHBondContact O-N 2.79Å; T191-L194 VanDerWaalsContact O-N 3.16Å; V192-L194 PolarHBondContact O-N 3.39Å; L194-H196 PolarHBondContact O-N 3Å; L194-H255 PolarHBondContact O-CD2 3.27Å; L194-H255 PolarHBondContact O-NE2 2.55Å; L194-L256 HydrophobicContact CD1-CD2 3.7Å; L194-I269 HydrophobicContact CD1-CD1 3.87Å; L194-L292 HydrophobicContact CD2-CD1 4.06Å
195	R	92.8	Very high	94.1	Very high	73 Å²	73	27.4 Å²	27.4	28%	0.275	13%	0.133	S	C	.	.			trans	-56.6	125.6	-175.4	-168.9	168.5	-178.9	82.1	7.1	110.5	E221	R195-E221 IonicContact CZ-OE1 3.98Å; R195-E221 IonicContact NH1-OE1 3.8Å; R195-E221 IonicContact NH2-OE1 3.02Å; R195-E221 PolarHBondContact NH2-OE1 2.81Å
196	H	95.8	Very high	94	Very high	44 Å²	44	27.8 Å²	27.8	20%	0.204	14%	0.136	C	C	.	.			trans	-154.7	150.1	-178	177.6	-94.5	0	0	0	109	L194 N198 I199 S251 H255	L194-H196 PolarHBondContact O-N 3Å; H196-N198 PolarHBondContact CE1-OD1 3.42Å; H196-N198 PolarHBondContact ND1-N 2.88Å; H196-N198 PolarHBondContact O-N 3.36Å; H196-N198 VanDerWaalsContact O-N 3.08Å; H196-I199 HydrophobicContact CB-CB 4.36Å; H196-I199 HydrophobicContact CB-CG1 3.99Å; H196-I199 PolarHBondContact O-N 3.23Å; H196-I199 VanDerWaalsContact O-O 3.09Å; H196-S251 PolarHBondContact CE1-OG 3.22Å; H196-H255 HydrophobicContact CB-CB 4.44Å; H196-H255 WeakPolarHBondContact CB-CD2 3.12Å; H196-H255 AromaticContact CD2-CG 3.8Å; H196-H255 AromaticContact CD2-ND1 3.94Å; H196-H255 AromaticContact CG-CD2 3.86Å; H196-H255 AromaticContact CG-CG 3.76Å
197	E	96	Very high	93.7	Very high	127 Å²	127	31.4 Å²	31.4	59%	0.593	15%	0.154	S	C	*	.	T	Hydrogen-bonded Turn	trans	-57.3	-28.7	-176.5	56.6	166.1	175.7	0	0	113.6	K282	E197-K282 WeakPolarHBondContact O-CE 3.09Å; E197-K282 PolarHBondContact O-NZ 2.8Å
198	N	98.4	Very high	93.3	Very high	4 Å²	4	30.8 Å²	30.8	2%	0.021	15%	0.151	C	C	.	.	T	Hydrogen-bonded Turn	trans	-106.8	21.9	179.7	-49.3	120.9	0	0	0	114	H196 S248 S251 C287 A288 I289	H196-N198 PolarHBondContact CE1-OD1 3.42Å; H196-N198 PolarHBondContact ND1-N 2.88Å; H196-N198 PolarHBondContact O-N 3.36Å; H196-N198 VanDerWaalsContact O-N 3.08Å; N198-S248 WeakPolarHBondContact CB-O 3.48Å; N198-S248 VanDerWaalsContact CG-O 3.23Å; N198-S248 WeakPolarHBondContact ND2-CB 3.39Å; N198-S248 PolarHBondContact OD1-O 3.33Å; N198-S251 VanDerWaalsContact OD1-CB 3.26Å; N198-S251 WeakPolarHBondContact OD1-CB 3.45Å; N198-S251 PolarHBondContact OD1-OG 2.79Å; N198-C287 WeakPolarHBondContact CA-O 3.33Å; N198-C287 WeakPolarHBondContact CB-O 3.27Å; N198-C287 PolarHBondContact ND2-O 2.92Å; N198-A288 WeakPolarHBondContact O-CA 3.45Å; N198-I289 PolarHBondContact O-N 3.02Å
199	I	98.3	Very high	92.8	Very high	6 Å²	6	36 Å²	36	3%	0.031	18%	0.179	C	C	.	.	B	Isolated β-bridge	trans	-118.9	141.5	166.7	-58	-60.8	0	0	0	107.4	H196 G201 L256 I289 L292	H196-I199 HydrophobicContact CB-CB 4.36Å; H196-I199 HydrophobicContact CB-CG1 3.99Å; H196-I199 PolarHBondContact O-N 3.23Å; H196-I199 VanDerWaalsContact O-O 3.09Å; I199-G201 PolarHBondContact O-N 2.78Å; I199-L256 HydrophobicContact CD1-CD1 3.74Å; I199-L256 HydrophobicContact CD1-CD2 4.08Å; I199-L256 HydrophobicContact CD1-CG 3.61Å; I199-I289 HydrophobicContact CD1-CB 3.97Å; I199-I289 HydrophobicContact CD1-CD1 4.32Å; I199-I289 HydrophobicContact CD1-CG1 4.45Å; I199-L292 HydrophobicContact CG2-CD1 4.34Å
200	L	97.3	Very high	92.2	Very high	14 Å²	14	39 Å²	39	7%	0.073	20%	0.195	C	C	.	.			trans	-55.9	128.1	-179.7	176.7	57.1	0	0	0	110.5	Y189 F202 E221 L280 I289 A290	Y189-L200 HydrophobicContact CE1-CB 4.37Å; L200-F202 PolarHBondContact O-N 3.27Å; L200-E221 HydrophobicContact CD1-CB 4.37Å; L200-L280 HydrophobicContact CD1-CD1 3.85Å; L200-L280 HydrophobicContact CD2-CD1 4.11Å; L200-L280 HydrophobicContact CG-CD1 4.48Å; L200-I289 WeakPolarHBondContact CB-O 3.45Å; L200-I289 PolarHBondContact N-O 3.37Å; L200-A290 HydrophobicContact CB-CB 4.06Å; L200-A290 HydrophobicContact CD2-CB 3.71Å; L200-A290 HydrophobicContact CG-CB 4.5Å
201	G	94.1	Very high	91.7	Very high	4 Å²	4	39.3 Å²	39.3	4%	0.041	22%	0.215	C	C	.	.			trans	-68.6	101.9	178.9	0	0	0	0	0	111.1	I199 S220 E221	I199-G201 PolarHBondContact O-N 2.78Å; G201-S220 CarbonylContact O-C 3.52Å; G201-S220 VanDerWaalsContact O-CA 3.27Å; G201-S220 WeakPolarHBondContact O-CA 3.43Å; G201-S220 WeakPolarHBondContact O-CB 3.15Å; G201-E221 PolarHBondContact O-N 2.88Å
202	F	93.9	Very high	91.3	Very high	1 Å²	1	43.6 Å²	43.6	0%	0.004	24%	0.241	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-70.5	139.4	169.6	174.7	-103.5	0	0	0	110.8	S131 Y189 Q190 L200 A204 A205 L218	S131-F202 WeakPolarHBondContact O-CD1 3.26Å; Y189-F202 HydrophobicContact CD1-CB 3.82Å; Y189-F202 HydrophobicContact CD1-CG 4.5Å; Y189-F202 HydrophobicContact CD2-CD2 4.24Å; Y189-F202 HydrophobicContact CG-CB 3.93Å; Y189-F202 AromaticContact CG-CD2 3.96Å; Y189-F202 HydrophobicContact CG-CD2 3.96Å; Y189-F202 HydrophobicContact CG-CG 4.11Å; Q190-F202 HydrophobicContact CG-CD1 4.42Å; Q190-F202 HydrophobicContact CG-CE1 3.61Å; Q190-F202 HydrophobicContact CG-CZ 3.98Å; L200-F202 PolarHBondContact O-N 3.27Å; F202-A204 VanDerWaalsContact CE2-O 3.3Å; F202-A204 WeakPolarHBondContact CE2-O 3.44Å; F202-A205 HydrophobicContact CE2-CB 4.26Å; F202-A205 HydrophobicContact CZ-CB 4.04Å; F202-L218 HydrophobicContact CD2-CD2 3.97Å; F202-L218 HydrophobicContact CD2-CG 4.32Å; F202-L218 HydrophobicContact CE2-CD2 4.19Å; F202-L218 HydrophobicContact CE2-CG 4.04Å
203	I	91	Very high	91.1	Very high	0 Å²	0	49.1 Å²	49.1	0%	0	26%	0.259	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111	-58.5	179.5	-59.4	175.1	0	0	0	109.4	L117 I121 G132 L133 W164 V169 V219	L117-I203 HydrophobicContact CD2-CD1 4.16Å; I121-I203 HydrophobicContact CD1-CD1 4.38Å; I121-I203 HydrophobicContact CD1-CG1 3.87Å; I121-I203 HydrophobicContact CD1-CG2 4.47Å; G132-I203 WeakPolarHBondContact CA-O 3.27Å; L133-I203 HydrophobicContact CD1-CG2 4.02Å; L133-I203 PolarHBondContact N-O 2.89Å; L133-I203 VanDerWaalsContact N-O 3.11Å; W164-I203 HydrophobicContact CE3-CG2 4.29Å; W164-I203 HydrophobicContact CZ3-CG2 3.69Å; V169-I203 HydrophobicContact CG1-CD1 3.85Å; I203-V219 HydrophobicContact CB-CB 4.35Å; I203-V219 HydrophobicContact CB-CG1 4.18Å; I203-V219 WeakPolarHBondContact CB-O 3.24Å; I203-V219 HydrophobicContact CD1-CG1 4.18Å; I203-V219 HydrophobicContact CG2-CG1 4.41Å; I203-V219 PolarHBondContact N-O 3.29Å
204	A	90.9	Very high	91.1	Very high	0 Å²	0	47.3 Å²	47.3	0%	0	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-161.7	159.8	-174.7	0	0	0	0	0	112.9	Q138 I141 F202 V219	Q138-A204 HydrophobicContact CB-CB 4.37Å; Q138-A204 HydrophobicContact CG-CB 3.99Å; I141-A204 HydrophobicContact CD1-CB 3.42Å; I141-A204 VanDerWaalsContact CD1-CB 3.42Å; F202-A204 VanDerWaalsContact CE2-O 3.3Å; F202-A204 WeakPolarHBondContact CE2-O 3.44Å; A204-V219 PolarHBondContact N-O 3.48Å; A204-V219 PolarHBondContact O-N 3.1Å
205	A	92.4	Very high	91	Very high	11 Å²	11	49.1 Å²	49.1	9%	0.091	26%	0.261	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.2	132	164.7	0	0	0	0	0	107.8	W182 A186 F202 W217	W182-A205 HydrophobicContact CZ2-CB 3.82Å; A186-A205 HydrophobicContact CB-CB 3.81Å; F202-A205 HydrophobicContact CE2-CB 4.26Å; F202-A205 HydrophobicContact CZ-CB 4.04Å; A205-W217 WeakPolarHBondContact CA-O 3.29Å
206	D	91.4	Very high	91	Very high	12 Å²	12	46 Å²	46	6%	0.064	25%	0.25	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-150.6	165.2	-172.8	-163.1	7.1	0	0	0	110.9	Q138 R139 T140 I141 A142 W217	Q138-D206 WeakPolarHBondContact O-CB 3.3Å; Q138-D206 VanDerWaalsContact O-OD2 3.09Å; R139-D206 WeakPolarHBondContact CA-OD1 3.34Å; T140-D206 PolarHBondContact N-OD2 3.5Å; I141-D206 PolarHBondContact N-OD2 2.84Å; I141-D206 VanDerWaalsContact N-OD2 3.11Å; A142-D206 HydrophobicContact CB-CB 3.97Å; A142-D206 VanDerWaalsContact CB-OD2 3.29Å; A142-D206 WeakPolarHBondContact CB-OD2 3.28Å; A142-D206 PolarHBondContact N-OD2 3.45Å; D206-W217 PolarHBondContact N-O 3.39Å; D206-W217 WeakPolarHBondContact O-CA 3.37Å; D206-W217 WeakPolarHBondContact O-CB 3.26Å; D206-W217 PolarHBondContact O-N 2.82Å
207	N	88.8	Confident	91	Very high	80 Å²	80	44 Å²	44	43%	0.428	24%	0.241	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.2	131.3	179.8	-61	-19	0	0	0	109.8	T214 Q215 L216	N207-T214 HydrophobicContact CB-CG2 4.29Å; N207-Q215 CarbonylContact C-O 3.42Å; N207-Q215 WeakPolarHBondContact CA-O 3.15Å; N207-L216 HydrophobicContact CB-CD2 4.45Å; N207-L216 WeakPolarHBondContact OD1-CD2 3.05Å
208	K	86.1	Confident	90.9	Very high	54 Å²	54	38.1 Å²	38.1	24%	0.235	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.2	119.3	176.3	-163.2	172.9	-171.5	159.2	0	110.3	A142 Q215 W217	A142-K208 HydrophobicContact CB-CB 4.07Å; A142-K208 HydrophobicContact CB-CD 4.37Å; A142-K208 WeakPolarHBondContact O-CE 3.39Å; A142-K208 PolarHBondContact O-NZ 3.44Å; K208-Q215 PolarHBondContact N-O 2.83Å; K208-Q215 WeakPolarHBondContact O-CB 3.22Å; K208-Q215 PolarHBondContact O-N 3.42Å; K208-W217 HydrophobicContact CB-CZ2 4.37Å; K208-W217 HydrophobicContact CD-CH2 3.79Å; K208-W217 HydrophobicContact CD-CZ2 3.38Å; K208-W217 HydrophobicContact CG-CZ2 4.5Å
209	D	84.6	Confident	90.8	Very high	110 Å²	110	38 Å²	38	59%	0.588	21%	0.213	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-90	125.8	168.8	-166.2	-12.4	0	0	0	109.2	G211	D209-G211 WeakPolarHBondContact OD1-CA 3.46Å; D209-G211 PolarHBondContact OD1-N 3.33Å
210	N	82.9	Confident	90.6	Very high	68 Å²	68	38.1 Å²	38.1	36%	0.364	21%	0.214	S	C	.	.			trans	-97.7	8.2	176	67.4	14.3	0	0	0	112.9	T212 W213	N210-T212 VanDerWaalsContact C-N 3.32Å; N210-T212 PolarHBondContact OD1-N 2.82Å; N210-T212 PolarHBondContact OD1-OG1 3.09Å; N210-W213 PolarHBondContact N-O 3.07Å; N210-W213 WeakPolarHBondContact ND2-CZ2 2.89Å; N210-W213 PolarHBondContact ND2-NE1 2.83Å; N210-W213 PolarHBondContact OD1-N 2.8Å; N210-W213 PolarHBondContact OD1-O 2.84Å
211	G	82.6	Confident	90.5	Very high	70 Å²	70	38.7 Å²	38.7	72%	0.722	22%	0.216	S	C	*	.	S	Bend	trans	87.6	-5.1	-178	0	0	0	0	0	114.2	D209	D209-G211 WeakPolarHBondContact OD1-CA 3.46Å; D209-G211 PolarHBondContact OD1-N 3.33Å
212	T	84.8	Confident	90.6	Very high	104 Å²	104	40.9 Å²	40.9	64%	0.638	22%	0.224	S	C	*	.	S	Bend	trans	-126.1	-36	179.8	49.3	0	0	0	0	113.1	N210	N210-T212 VanDerWaalsContact C-N 3.32Å; N210-T212 PolarHBondContact OD1-N 2.82Å; N210-T212 PolarHBondContact OD1-OG1 3.09Å
213	W	86.6	Confident	90.7	Very high	152 Å²	152	42 Å²	42	58%	0.576	23%	0.229	S	C	*	.	S	Bend	trans	-154.9	155.1	171.4	58	85.4	0	0	0	110.4	N210	N210-W213 PolarHBondContact N-O 3.07Å; N210-W213 WeakPolarHBondContact ND2-CZ2 2.89Å; N210-W213 PolarHBondContact ND2-NE1 2.83Å; N210-W213 PolarHBondContact OD1-N 2.8Å; N210-W213 PolarHBondContact OD1-O 2.84Å
214	T	89.6	Confident	90.9	Very high	58 Å²	58	47.8 Å²	47.8	36%	0.356	26%	0.256	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.4	131	174.4	-47.4	0	0	0	0	110.5	N207 L216	N207-T214 HydrophobicContact CB-CG2 4.29Å; T214-L216 HydrophobicContact CG2-CD2 4.35Å
215	Q	92.4	Very high	91.1	Very high	40 Å²	40	51 Å²	51	19%	0.187	27%	0.271	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.2	134.4	170.6	-65.9	-178.9	-28.1	0	0	109.3	I173 N207 K208 W217	I173-Q215 HydrophobicContact CG2-CB 3.85Å; I173-Q215 HydrophobicContact CG2-CG 4.05Å; N207-Q215 CarbonylContact C-O 3.42Å; N207-Q215 WeakPolarHBondContact CA-O 3.15Å; K208-Q215 PolarHBondContact N-O 2.83Å; K208-Q215 WeakPolarHBondContact O-CB 3.22Å; K208-Q215 PolarHBondContact O-N 3.42Å; Q215-W217 VanDerWaalsContact OE1-NE1 3.16Å
216	L	93.8	Very high	91.3	Very high	8 Å²	8	51.3 Å²	51.3	4%	0.042	28%	0.275	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.9	122.2	174.9	-47.3	171.1	0	0	0	108	I173 F174 E179 W182 N207 T214	I173-L216 WeakPolarHBondContact CA-O 3.21Å; F174-L216 HydrophobicContact CB-CB 4.22Å; F174-L216 PolarHBondContact N-O 3.07Å; F174-L216 PolarHBondContact O-N 2.89Å; F174-L216 VanDerWaalsContact O-N 3.11Å; E179-L216 HydrophobicContact CB-CD1 3.76Å; E179-L216 HydrophobicContact CG-CD1 3.95Å; W182-L216 HydrophobicContact CB-CB 4.24Å; W182-L216 HydrophobicContact CB-CD1 4.06Å; W182-L216 HydrophobicContact CD2-CB 3.8Å; W182-L216 HydrophobicContact CD2-CD1 4.09Å; W182-L216 HydrophobicContact CD2-CG 4.41Å; W182-L216 HydrophobicContact CE3-CB 4.45Å; W182-L216 HydrophobicContact CE3-CD1 4.04Å; W182-L216 HydrophobicContact CG-CB 3.65Å; W182-L216 HydrophobicContact CG-CD1 4.11Å; N207-L216 HydrophobicContact CB-CD2 4.45Å; N207-L216 WeakPolarHBondContact OD1-CD2 3.05Å; T214-L216 HydrophobicContact CG2-CD2 4.35Å
217	W	95.1	Very high	91.6	Very high	1 Å²	1	51.2 Å²	51.2	0%	0.004	28%	0.276	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.8	139	-171.8	-73.2	32	0	0	0	110	A142 I145 L147 V171 I173 W182 A205 D206 K208 Q215	A142-W217 HydrophobicContact CB-CD2 3.89Å; A142-W217 HydrophobicContact CB-CE3 3.63Å; A142-W217 HydrophobicContact CB-CG 4.32Å; A142-W217 HydrophobicContact CB-CZ3 4.16Å; I145-W217 HydrophobicContact CB-CZ3 3.82Å; I145-W217 HydrophobicContact CD1-CE3 4.45Å; I145-W217 HydrophobicContact CD1-CZ3 4.3Å; I145-W217 HydrophobicContact CG2-CH2 4.46Å; I145-W217 HydrophobicContact CG2-CZ3 3.79Å; L147-W217 HydrophobicContact CD1-CH2 3.84Å; L147-W217 HydrophobicContact CD1-CZ2 3.79Å; L147-W217 HydrophobicContact CD2-CH2 3.56Å; L147-W217 HydrophobicContact CD2-CZ2 4.2Å; L147-W217 HydrophobicContact CD2-CZ3 3.95Å; L147-W217 HydrophobicContact CG-CH2 3.63Å; L147-W217 HydrophobicContact CG-CZ2 4.13Å; L147-W217 HydrophobicContact CG-CZ3 4.46Å; V171-W217 HydrophobicContact CB-CE3 4.45Å; V171-W217 HydrophobicContact CG1-CB 4.22Å; V171-W217 HydrophobicContact CG1-CD2 3.54Å; V171-W217 HydrophobicContact CG1-CE3 3.27Å; V171-W217 HydrophobicContact CG1-CG 3.97Å; V171-W217 HydrophobicContact CG1-CH2 4.44Å; V171-W217 HydrophobicContact CG1-CZ3 3.76Å; V171-W217 HydrophobicContact CG2-CE3 4.36Å; V171-W217 HydrophobicContact CG2-CZ3 4.28Å; I173-W217 HydrophobicContact CD1-CZ2 3.97Å; I173-W217 HydrophobicContact CG1-CD2 4.43Å; I173-W217 HydrophobicContact CG1-CG 4.38Å; W182-W217 PolarHBondContact NE1-O 3.15Å; A205-W217 WeakPolarHBondContact CA-O 3.29Å; D206-W217 PolarHBondContact N-O 3.39Å; D206-W217 WeakPolarHBondContact O-CA 3.37Å; D206-W217 WeakPolarHBondContact O-CB 3.26Å; D206-W217 PolarHBondContact O-N 2.82Å; K208-W217 HydrophobicContact CB-CZ2 4.37Å; K208-W217 HydrophobicContact CD-CH2 3.79Å; K208-W217 HydrophobicContact CD-CZ2 3.38Å; K208-W217 HydrophobicContact CG-CZ2 4.5Å; Q215-W217 VanDerWaalsContact OE1-NE1 3.16Å
218	L	94.7	Very high	92.1	Very high	4 Å²	4	47.4 Å²	47.4	2%	0.021	26%	0.255	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.2	114.6	167.5	-168.5	162.8	0	0	0	107.6	V171 K172 F174 E185 Y189 F202	V171-L218 WeakPolarHBondContact CA-O 3.31Å; K172-L218 HydrophobicContact CB-CB 4.31Å; K172-L218 PolarHBondContact N-O 2.86Å; K172-L218 PolarHBondContact O-N 2.85Å; F174-L218 HydrophobicContact CE2-CB 4.08Å; E185-L218 HydrophobicContact CB-CD1 3.98Å; E185-L218 HydrophobicContact CG-CD1 3.63Å; Y189-L218 HydrophobicContact CD2-CD1 3.98Å; Y189-L218 HydrophobicContact CD2-CD2 4.31Å; Y189-L218 HydrophobicContact CE2-CD1 4.17Å; Y189-L218 HydrophobicContact CE2-CD2 4.25Å; F202-L218 HydrophobicContact CD2-CD2 3.97Å; F202-L218 HydrophobicContact CD2-CG 4.32Å; F202-L218 HydrophobicContact CE2-CD2 4.19Å; F202-L218 HydrophobicContact CE2-CG 4.04Å
219	V	95.3	Very high	92.6	Very high	0 Å²	0	47.6 Å²	47.6	0%	0	26%	0.255	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.9	131.6	-174.2	-170.7	0	0	0	0	109.4	I141 I145 V169 A170 I203 A204	I141-V219 HydrophobicContact CG2-CG2 4.36Å; I145-V219 HydrophobicContact CD1-CB 4.41Å; I145-V219 HydrophobicContact CD1-CG1 3.77Å; I145-V219 HydrophobicContact CD1-CG2 3.69Å; V169-V219 HydrophobicContact CB-CG1 4.06Å; V169-V219 HydrophobicContact CG1-CG1 4.37Å; V169-V219 HydrophobicContact CG2-CG1 4.3Å; A170-V219 WeakPolarHBondContact O-CA 3.41Å; I203-V219 HydrophobicContact CB-CB 4.35Å; I203-V219 HydrophobicContact CB-CG1 4.18Å; I203-V219 WeakPolarHBondContact CB-O 3.24Å; I203-V219 HydrophobicContact CD1-CG1 4.18Å; I203-V219 HydrophobicContact CG2-CG1 4.41Å; I203-V219 PolarHBondContact N-O 3.29Å; A204-V219 PolarHBondContact N-O 3.48Å; A204-V219 PolarHBondContact O-N 3.1Å
220	S	95.2	Very high	93.2	Very high	9 Å²	9	45 Å²	45	6%	0.063	24%	0.241	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-144.2	169.2	-177.5	58	0	0	0	0	111.9	A170 G201	A170-S220 PolarHBondContact N-O 2.88Å; A170-S220 PolarHBondContact O-N 2.88Å; A170-S220 PolarHBondContact O-OG 2.68Å; G201-S220 CarbonylContact O-C 3.52Å; G201-S220 VanDerWaalsContact O-CA 3.27Å; G201-S220 WeakPolarHBondContact O-CA 3.43Å; G201-S220 WeakPolarHBondContact O-CB 3.15Å
221	E	94.6	Very high	94	Very high	26 Å²	26	42.5 Å²	42.5	12%	0.121	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-57.8	134.9	173.2	-69.2	176.9	-175.7	0	0	111.2	R195 L200 G201 H223	R195-E221 IonicContact CZ-OE1 3.98Å; R195-E221 IonicContact NH1-OE1 3.8Å; R195-E221 IonicContact NH2-OE1 3.02Å; R195-E221 PolarHBondContact NH2-OE1 2.81Å; L200-E221 HydrophobicContact CD1-CB 4.37Å; G201-E221 PolarHBondContact O-N 2.88Å; E221-H223 IonicContact OE2-CE1 2.76Å
222	Y	96.1	Very high	94.7	Very high	51 Å²	51	39.1 Å²	39.1	20%	0.2	19%	0.192	C	C	.	.			trans	-83.5	140.8	171.7	-174.9	-117.1	0	0	0	111.4	V151 H161 D168 A170 E224	V151-Y222 HydrophobicContact CG2-CE2 4.03Å; H161-Y222 HydrophobicContact CB-CE2 4.16Å; H161-Y222 AromaticContact CD2-CD1 3.64Å; H161-Y222 AromaticContact CD2-CD2 3.83Å; H161-Y222 AromaticContact CD2-CE1 3.61Å; H161-Y222 AromaticContact CD2-CE2 3.86Å; H161-Y222 AromaticContact CD2-CG 3.74Å; H161-Y222 AromaticContact CD2-CZ 3.73Å; H161-Y222 AromaticContact NE2-CD1 3.91Å; H161-Y222 AromaticContact NE2-CE1 3.87Å; D168-Y222 HydrophobicContact CB-CD1 3.71Å; D168-Y222 HydrophobicContact CB-CG 4.16Å; D168-Y222 WeakPolarHBondContact O-CB 3.35Å; A170-Y222 HydrophobicContact CB-CD2 4.26Å; Y222-E224 HydrophobicContact CD1-CG 4.13Å; Y222-E224 HydrophobicContact CE1-CB 4.38Å; Y222-E224 HydrophobicContact CE1-CG 3.75Å
223	H	96.3	Very high	95.3	Very high	24 Å²	24	37.7 Å²	37.7	11%	0.111	18%	0.181	C	C	.	.			trans	-129.1	105.3	177	-68.9	-22.7	0	0	0	109.6	E221 Q225 G226 L280	E221-H223 IonicContact OE2-CE1 2.76Å; H223-Q225 PolarHBondContact O-N 3.24Å; H223-G226 PolarHBondContact O-N 3.23Å; H223-L280 HydrophobicContact CB-CB 4.35Å
224	E	94.6	Very high	95.8	Very high	121 Å²	121	38.9 Å²	38.9	57%	0.565	19%	0.185	S	C	*	.	T	Hydrogen-bonded Turn	trans	-58.9	-29.7	-172.8	-65	174.1	166	0	0	114.4	Y222 G226	Y222-E224 HydrophobicContact CD1-CG 4.13Å; Y222-E224 HydrophobicContact CE1-CB 4.38Å; Y222-E224 HydrophobicContact CE1-CG 3.75Å; E224-G226 PolarHBondContact O-N 2.72Å
225	Q	95.9	Very high	96.2	Very high	69 Å²	69	38.7 Å²	38.7	32%	0.322	18%	0.181	S	C	.	.	T	Hydrogen-bonded Turn	trans	-72.5	-7.1	178.1	-61.4	-64.5	-24.6	0	0	112.6	H223 Y231 V281	H223-Q225 PolarHBondContact O-N 3.24Å; Q225-Y231 HydrophobicContact CB-CD2 4.09Å; Q225-Y231 HydrophobicContact CG-CD2 4.41Å; Q225-V281 HydrophobicContact CB-CB 3.85Å; Q225-V281 HydrophobicContact CB-CG1 4.1Å; Q225-V281 WeakPolarHBondContact CB-O 3.27Å; Q225-V281 HydrophobicContact CG-CG1 4.41Å
226	G	95.9	Very high	96.4	Very high	17 Å²	17	41.2 Å²	41.2	18%	0.175	20%	0.196	C	C	.	.			trans	67.3	-149.6	178.5	0	0	0	0	0	112.5	H223 E224 L280 V281	H223-G226 PolarHBondContact O-N 3.23Å; E224-G226 PolarHBondContact O-N 2.72Å; G226-L280 WeakPolarHBondContact O-CA 3.28Å; G226-V281 PolarHBondContact O-N 2.75Å
227	S	97.8	Very high	96.5	Very high	10 Å²	10	41.1 Å²	41.1	7%	0.07	20%	0.195	C	C	.	.	B	Isolated β-bridge	trans	-75.4	157.4	178.5	72.5	0	0	0	0	111.9	Y229 D230 Y231 I279	S227-Y229 PolarHBondContact O-N 2.72Å; S227-Y229 WeakPolarHBondContact OG-CB 3.23Å; S227-D230 WeakPolarHBondContact CB-OD2 3.48Å; S227-D230 PolarHBondContact N-OD2 3.1Å; S227-D230 PolarHBondContact O-N 3.42Å; S227-D230 PolarHBondContact OG-N 3.13Å; S227-D230 VanDerWaalsContact OG-N 3.17Å; S227-D230 PolarHBondContact OG-OD2 3.45Å; S227-Y231 PolarHBondContact O-N 3.3Å; S227-I279 CarbonylContact C-O 3.59Å; S227-I279 VanDerWaalsContact CA-O 3.28Å; S227-I279 WeakPolarHBondContact CA-O 3.38Å
228	L	98.7	Very high	96.6	Very high	0 Å²	0	45.4 Å²	45.4	0%	0	22%	0.222	C	C	.	.	H	α-helix	trans	-59.2	-33.8	172.6	178.7	68.1	0	0	0	110.5	Y231 L232 L245 I249 S276 I279 V281 V347 I351	L228-Y231 PolarHBondContact O-N 3.15Å; L228-L232 HydrophobicContact CD1-CD1 3.95Å; L228-L232 HydrophobicContact CD1-CD2 4.24Å; L228-L232 HydrophobicContact CD1-CG 3.83Å; L228-L232 HydrophobicContact CD2-CD1 4.38Å; L228-L232 HydrophobicContact CG-CD1 3.78Å; L228-L232 HydrophobicContact CG-CG 4.09Å; L228-L232 VanDerWaalsContact O-CB 3.3Å; L228-L232 WeakPolarHBondContact O-CB 3.24Å; L228-L232 WeakPolarHBondContact O-CG 3.4Å; L228-L232 PolarHBondContact O-N 3.37Å; L228-L245 HydrophobicContact CD1-CD1 4.24Å; L228-L245 HydrophobicContact CD1-CD2 4.36Å; L228-I249 HydrophobicContact CD2-CD1 3.88Å; L228-S276 WeakPolarHBondContact CB-O 3.41Å; L228-S276 PolarHBondContact N-O 3.37Å; L228-I279 HydrophobicContact CB-CB 4.13Å; L228-I279 HydrophobicContact CB-CG2 4.14Å; L228-I279 HydrophobicContact CD2-CB 4.43Å; L228-I279 HydrophobicContact CD2-CD1 4.45Å; L228-I279 HydrophobicContact CD2-CG2 4.23Å; L228-I279 PolarHBondContact N-O 3.38Å; L228-V281 HydrophobicContact CB-CG2 4.15Å; L228-V281 HydrophobicContact CD1-CG2 3.89Å; L228-V347 HydrophobicContact CD2-CG1 3.55Å; L228-I351 HydrophobicContact CD1-CG1 4.39Å; L228-I351 HydrophobicContact CD2-CD1 4.03Å; L228-I351 HydrophobicContact CD2-CG1 4.03Å
229	Y	98.2	Very high	96.6	Very high	57 Å²	57	46.4 Å²	46.4	22%	0.224	23%	0.228	C	C	.	.	H	α-helix	trans	-55	-53	169.6	173.3	-85.3	0	0	0	111.2	S227 Y231 L232 N233 S276 K277 Y364 L366	S227-Y229 PolarHBondContact O-N 2.72Å; S227-Y229 WeakPolarHBondContact OG-CB 3.23Å; Y229-Y231 PolarHBondContact O-N 3.28Å; Y229-L232 PolarHBondContact O-N 3.4Å; Y229-N233 PolarHBondContact O-N 3.15Å; Y229-N233 PolarHBondContact O-ND2 3.41Å; Y229-S276 PolarHBondContact N-O 2.72Å; Y229-S276 VanDerWaalsContact N-O 3.11Å; Y229-K277 HydrophobicContact CD1-CG 4.24Å; Y229-K277 HydrophobicContact CD2-CG 4.01Å; Y229-K277 HydrophobicContact CG-CD 4.41Å; Y229-K277 HydrophobicContact CG-CG 3.69Å; Y229-Y364 AromaticContact CD2-CE1 3.95Å; Y229-Y364 HydrophobicContact CD2-CE1 3.95Å; Y229-Y364 AromaticContact CD2-CZ 3.71Å; Y229-Y364 WeakPolarHBondContact CD2-OH 3.34Å; Y229-Y364 AromaticContact CE2-CE1 3.61Å; Y229-Y364 HydrophobicContact CE2-CE1 3.61Å; Y229-Y364 AromaticContact CE2-CZ 3.86Å; Y229-Y364 WeakPolarHBondContact CE2-OH 3.19Å; Y229-L366 HydrophobicContact CD2-CD2 4.13Å; Y229-L366 HydrophobicContact CE2-CD1 4.47Å; Y229-L366 HydrophobicContact CE2-CD2 4.03Å; Y229-L366 HydrophobicContact CE2-CG 4.29Å
230	D	97.1	Very high	96.6	Very high	56 Å²	56	48.4 Å²	48.4	30%	0.299	24%	0.244	S	C	.	.	H	α-helix	trans	-65.1	-42	-179.3	-58	-50.6	0	0	0	111.5	S227 N233 R234	S227-D230 WeakPolarHBondContact CB-OD2 3.48Å; S227-D230 PolarHBondContact N-OD2 3.1Å; S227-D230 PolarHBondContact O-N 3.42Å; S227-D230 PolarHBondContact OG-N 3.13Å; S227-D230 VanDerWaalsContact OG-N 3.17Å; S227-D230 PolarHBondContact OG-OD2 3.45Å; D230-N233 PolarHBondContact O-N 3.2Å; D230-R234 VanDerWaalsContact O-CG 3.32Å; D230-R234 WeakPolarHBondContact O-CG 3.18Å; D230-R234 PolarHBondContact O-N 3.25Å
231	Y	98.4	Very high	96.7	Very high	15 Å²	15	48.2 Å²	48.2	6%	0.059	24%	0.244	C	C	.	.	H	α-helix	trans	-62.2	-45.5	179.7	-175.9	-92.6	0	0	0	112.1	Q225 S227 L228 Y229 N233 R234 N235 V237 L245 V281 E285	Q225-Y231 HydrophobicContact CB-CD2 4.09Å; Q225-Y231 HydrophobicContact CG-CD2 4.41Å; S227-Y231 PolarHBondContact O-N 3.3Å; L228-Y231 PolarHBondContact O-N 3.15Å; Y229-Y231 PolarHBondContact O-N 3.28Å; Y231-N233 VanDerWaalsContact C-N 3.34Å; Y231-N233 PolarHBondContact O-N 2.78Å; Y231-R234 PolarHBondContact O-N 3.21Å; Y231-N235 HydrophobicContact CD1-CB 4.47Å; Y231-N235 VanDerWaalsContact CD2-ND2 3.29Å; Y231-N235 WeakPolarHBondContact CD2-ND2 3.36Å; Y231-N235 HydrophobicContact CE1-CB 4.18Å; Y231-N235 HydrophobicContact CE2-CB 4.5Å; Y231-N235 WeakPolarHBondContact CE2-ND2 3.23Å; Y231-N235 VanDerWaalsContact O-CB 3.31Å; Y231-N235 WeakPolarHBondContact O-CB 3.45Å; Y231-N235 PolarHBondContact O-N 3.41Å; Y231-N235 PolarHBondContact O-ND2 2.62Å; Y231-V237 HydrophobicContact CE1-CG1 3.89Å; Y231-L245 HydrophobicContact CE1-CD1 4.17Å; Y231-V281 HydrophobicContact CD1-CG2 4.24Å; Y231-V281 HydrophobicContact CD2-CB 4.23Å; Y231-V281 HydrophobicContact CD2-CG1 3.91Å; Y231-V281 HydrophobicContact CD2-CG2 4.38Å; Y231-V281 HydrophobicContact CE2-CG1 4.03Å; Y231-V281 HydrophobicContact CG-CB 4.25Å; Y231-V281 HydrophobicContact CG-CG1 4.17Å; Y231-V281 HydrophobicContact CG-CG2 3.89Å; Y231-E285 PolarHBondContact OH-OE1 3.1Å
232	L	98.4	Very high	96.8	Very high	0 Å²	0	47 Å²	47	0%	0	24%	0.238	C	C	.	.	H	α-helix	trans	-71.8	-26	-179.5	-69	177.5	0	0	0	113.3	L228 Y229 V237 E350 I351 R354 Y364	L228-L232 HydrophobicContact CD1-CD1 3.95Å; L228-L232 HydrophobicContact CD1-CD2 4.24Å; L228-L232 HydrophobicContact CD1-CG 3.83Å; L228-L232 HydrophobicContact CD2-CD1 4.38Å; L228-L232 HydrophobicContact CG-CD1 3.78Å; L228-L232 HydrophobicContact CG-CG 4.09Å; L228-L232 VanDerWaalsContact O-CB 3.3Å; L228-L232 WeakPolarHBondContact O-CB 3.24Å; L228-L232 WeakPolarHBondContact O-CG 3.4Å; L228-L232 PolarHBondContact O-N 3.37Å; Y229-L232 PolarHBondContact O-N 3.4Å; L232-V237 HydrophobicContact CD2-CG1 4.41Å; L232-E350 HydrophobicContact CD1-CB 4.01Å; L232-I351 HydrophobicContact CD1-CG1 4.04Å; L232-R354 HydrophobicContact CB-CG 4.04Å; L232-R354 HydrophobicContact CD2-CB 3.94Å; L232-R354 HydrophobicContact CD2-CG 3.91Å; L232-R354 HydrophobicContact CG-CG 4.45Å; L232-R354 PolarHBondContact O-NE 3.33Å; L232-Y364 HydrophobicContact CB-CD2 3.61Å; L232-Y364 HydrophobicContact CB-CE2 3.87Å; L232-Y364 HydrophobicContact CD1-CE2 4.21Å
233	N	97.8	Very high	96.9	Very high	74 Å²	74	44.8 Å²	44.8	40%	0.396	23%	0.23	S	C	.	.	H	α-helix	trans	-69.5	-35.2	171	-86.5	-81.8	0	0	0	112.2	Y229 D230 Y231 Y364	Y229-N233 PolarHBondContact O-N 3.15Å; Y229-N233 PolarHBondContact O-ND2 3.41Å; D230-N233 PolarHBondContact O-N 3.2Å; Y231-N233 VanDerWaalsContact C-N 3.34Å; Y231-N233 PolarHBondContact O-N 2.78Å; N233-Y364 WeakPolarHBondContact ND2-CD1 3.37Å; N233-Y364 WeakPolarHBondContact ND2-CE1 3.46Å; N233-Y364 WeakPolarHBondContact OD1-CD1 3.27Å
234	R	97	Very high	97	Very high	177 Å²	177	48.7 Å²	48.7	67%	0.668	25%	0.246	S	C	*	.	H	α-helix	trans	-90.8	-31.7	-175.2	-65	170.9	-167.9	-179.8	4.7	113.1	D230 Y231	D230-R234 VanDerWaalsContact O-CG 3.32Å; D230-R234 WeakPolarHBondContact O-CG 3.18Å; D230-R234 PolarHBondContact O-N 3.25Å; Y231-R234 PolarHBondContact O-N 3.21Å
235	N	97.1	Very high	97.2	Very high	53 Å²	53	43 Å²	43	28%	0.283	22%	0.22	S	C	.	.			trans	-117.5	157.1	-168.2	-58.3	-68	0	0	0	112.4	Y231 R354	Y231-N235 HydrophobicContact CD1-CB 4.47Å; Y231-N235 VanDerWaalsContact CD2-ND2 3.29Å; Y231-N235 WeakPolarHBondContact CD2-ND2 3.36Å; Y231-N235 HydrophobicContact CE1-CB 4.18Å; Y231-N235 HydrophobicContact CE2-CB 4.5Å; Y231-N235 WeakPolarHBondContact CE2-ND2 3.23Å; Y231-N235 VanDerWaalsContact O-CB 3.31Å; Y231-N235 WeakPolarHBondContact O-CB 3.45Å; Y231-N235 PolarHBondContact O-N 3.41Å; Y231-N235 PolarHBondContact O-ND2 2.62Å; N235-R354 PolarHBondContact O-NE 2.85Å; N235-R354 PolarHBondContact O-NH2 2.92Å
236	I	96.7	Very high	97.3	Very high	94 Å²	94	39.7 Å²	39.7	48%	0.482	20%	0.204	S	C	.	.			trans	-106.1	140.7	164.3	-65.1	167.9	0	0	0	105.7	R354 S356 V361	I236-R354 WeakPolarHBondContact CG2-O 3.34Å; I236-S356 VanDerWaalsContact CG2-CB 3.47Å; I236-V361 HydrophobicContact CD1-CG1 3.97Å; I236-V361 HydrophobicContact CG1-CG1 4.47Å; I236-V361 HydrophobicContact CG1-CG2 4.22Å; I236-V361 HydrophobicContact CG2-CG2 4Å
237	V	96.2	Very high	97.4	Very high	6 Å²	6	40.7 Å²	40.7	4%	0.036	21%	0.206	C	C	.	.	B	Isolated β-bridge	trans	-107.5	146.7	180	-58.3	0	0	0	0	110.8	Y231 L232 M242 L245 R354 C355 S356	Y231-V237 HydrophobicContact CE1-CG1 3.89Å; L232-V237 HydrophobicContact CD2-CG1 4.41Å; V237-M242 HydrophobicContact CG2-CB 4.07Å; V237-L245 HydrophobicContact CG1-CD1 3.91Å; V237-R354 HydrophobicContact CG2-CB 4.3Å; V237-R354 WeakPolarHBondContact CG2-O 3.17Å; V237-R354 PolarHBondContact N-O 3.35Å; V237-C355 HydrophobicContact CG2-CB 4.23Å; V237-C355 CarbonylContact O-C 3.58Å; V237-C355 VanDerWaalsContact O-CA 3.3Å; V237-C355 WeakPolarHBondContact O-CA 3.29Å; V237-S356 PolarHBondContact O-N 3.42Å
238	T	95.8	Very high	97.5	Very high	91 Å²	91	40.5 Å²	40.5	56%	0.558	20%	0.204	S	C	*	.			trans	-77.7	171.6	167.9	61.6	0	0	0	0	110	A240 G241 M242	T238-A240 VanDerWaalsContact C-N 3.33Å; T238-A240 PolarHBondContact O-N 3.26Å; T238-G241 PolarHBondContact O-N 2.96Å; T238-G241 PolarHBondContact OG1-N 3.06Å; T238-G241 VanDerWaalsContact OG1-N 3.08Å; T238-M242 PolarHBondContact O-N 3.16Å
239	V	95.7	Very high	97.5	Very high	25 Å²	25	40.5 Å²	40.5	15%	0.152	20%	0.204	C	C	.	.	H	α-helix	trans	-57.7	-47.1	173.5	-177.3	0	0	0	0	111.2	G241 M242 I243 V357 A403 E439	V239-G241 VanDerWaalsContact C-N 3.34Å; V239-G241 PolarHBondContact O-N 2.88Å; V239-M242 HydrophobicContact CG1-CE 4.25Å; V239-M242 WeakPolarHBondContact O-CB 3.38Å; V239-M242 PolarHBondContact O-N 2.81Å; V239-I243 HydrophobicContact CG1-CD1 4.06Å; V239-I243 WeakPolarHBondContact O-CG1 3.29Å; V239-I243 PolarHBondContact O-N 3Å; V239-V357 HydrophobicContact CG2-CG2 4.06Å; V239-A403 HydrophobicContact CG1-CB 3.33Å; V239-E439 WeakPolarHBondContact CG1-OE1 3.47Å
240	A	95.3	Very high	97.5	Very high	41 Å²	41	37.9 Å²	37.9	34%	0.339	19%	0.194	S	C	.	.	H	α-helix	trans	-60.5	-41.5	175.2	0	0	0	0	0	112.3	T238 I243 K244	T238-A240 VanDerWaalsContact C-N 3.33Å; T238-A240 PolarHBondContact O-N 3.26Å; A240-I243 PolarHBondContact O-N 2.94Å; A240-K244 WeakPolarHBondContact O-CG 3.23Å; A240-K244 PolarHBondContact O-N 3.36Å
241	G	96.6	Very high	97.6	Very high	6 Å²	6	35.5 Å²	35.5	6%	0.062	18%	0.182	C	C	.	.	H	α-helix	trans	-62	-45.9	175.5	0	0	0	0	0	112.5	T238 V239 I243 K244 L245	T238-G241 PolarHBondContact O-N 2.96Å; T238-G241 PolarHBondContact OG1-N 3.06Å; T238-G241 VanDerWaalsContact OG1-N 3.08Å; V239-G241 VanDerWaalsContact C-N 3.34Å; V239-G241 PolarHBondContact O-N 2.88Å; G241-I243 VanDerWaalsContact C-N 3.34Å; G241-I243 PolarHBondContact O-N 3.36Å; G241-K244 PolarHBondContact O-N 3.49Å; G241-L245 VanDerWaalsContact O-CG 3.31Å; G241-L245 WeakPolarHBondContact O-CG 3.27Å; G241-L245 PolarHBondContact O-N 2.95Å
242	M	97.9	Very high	97.6	Very high	0 Å²	0	34.8 Å²	34.8	0%	0	18%	0.179	C	C	.	.	H	α-helix	trans	-56.6	-46.8	173.8	172.1	-172.2	72.6	0	0	111.4	V237 T238 V239 L245 A246 I351 A352 C355 A403 L404 M407	V237-M242 HydrophobicContact CG2-CB 4.07Å; T238-M242 PolarHBondContact O-N 3.16Å; V239-M242 HydrophobicContact CG1-CE 4.25Å; V239-M242 WeakPolarHBondContact O-CB 3.38Å; V239-M242 PolarHBondContact O-N 2.81Å; M242-L245 PolarHBondContact O-N 2.81Å; M242-A246 VanDerWaalsContact O-CB 3.28Å; M242-A246 WeakPolarHBondContact O-CB 3.41Å; M242-A246 PolarHBondContact O-N 2.92Å; M242-I351 HydrophobicContact CB-CG2 4.16Å; M242-I351 HydrophobicContact CG-CG2 3.81Å; M242-A352 HydrophobicContact SD-CB 4.26Å; M242-C355 HydrophobicContact CB-CB 4.36Å; M242-C355 HydrophobicContact SD-CB 3.84Å; M242-A403 HydrophobicContact CE-CB 3.77Å; M242-L404 HydrophobicContact CE-CD2 4.13Å; M242-L404 HydrophobicContact CE-CG 4.33Å; M242-L404 HydrophobicContact SD-CD2 3.54Å; M242-L404 VanDerWaalsContact SD-CD2 3.54Å; M242-L404 HydrophobicContact SD-CG 4.35Å; M242-M407 HydrophobicContact CE-CG 3.89Å; M242-M407 HydrophobicContact SD-CG 4.03Å
243	I	97.6	Very high	97.6	Very high	5 Å²	5	34.9 Å²	34.9	3%	0.026	18%	0.18	C	C	.	.	H	α-helix	trans	-62.4	-44.8	179	-68.6	168.7	0	0	0	110.5	V239 A240 G241 A246 L247 A403 I432 L435 C436 E439	V239-I243 HydrophobicContact CG1-CD1 4.06Å; V239-I243 WeakPolarHBondContact O-CG1 3.29Å; V239-I243 PolarHBondContact O-N 3Å; A240-I243 PolarHBondContact O-N 2.94Å; G241-I243 VanDerWaalsContact C-N 3.34Å; G241-I243 PolarHBondContact O-N 3.36Å; I243-A246 PolarHBondContact O-N 2.85Å; I243-L247 WeakPolarHBondContact O-CB 3.47Å; I243-L247 PolarHBondContact O-N 2.77Å; I243-A403 HydrophobicContact CD1-CB 4.16Å; I243-I432 HydrophobicContact CG2-CG2 3.9Å; I243-L435 HydrophobicContact CD1-CB 4.18Å; I243-C436 HydrophobicContact CG2-CB 4.26Å; I243-E439 HydrophobicContact CD1-CG 4.08Å
244	K	97.8	Very high	97.7	Very high	105 Å²	105	31.9 Å²	31.9	46%	0.457	17%	0.165	S	C	.	.	H	α-helix	trans	-59.8	-48.5	177.7	-76.2	176.7	-178.7	179	0	112.4	A240 G241 S248	A240-K244 WeakPolarHBondContact O-CG 3.23Å; A240-K244 PolarHBondContact O-N 3.36Å; G241-K244 PolarHBondContact O-N 3.49Å; K244-S248 WeakPolarHBondContact O-CB 3.45Å; K244-S248 PolarHBondContact O-N 3.02Å; K244-S248 PolarHBondContact O-OG 3.04Å
245	L	98.6	Very high	97.7	Very high	1 Å²	1	24.4 Å²	24.4	1%	0.005	14%	0.138	C	C	.	.	H	α-helix	trans	-61.5	-49.8	177.3	-65.2	171.4	0	0	0	110.6	L228 Y231 V237 G241 M242 L247 S248 I249 V281 E285 C287 I351	L228-L245 HydrophobicContact CD1-CD1 4.24Å; L228-L245 HydrophobicContact CD1-CD2 4.36Å; Y231-L245 HydrophobicContact CE1-CD1 4.17Å; V237-L245 HydrophobicContact CG1-CD1 3.91Å; G241-L245 VanDerWaalsContact O-CG 3.31Å; G241-L245 WeakPolarHBondContact O-CG 3.27Å; G241-L245 PolarHBondContact O-N 2.95Å; M242-L245 PolarHBondContact O-N 2.81Å; L245-L247 PolarHBondContact O-N 2.92Å; L245-S248 PolarHBondContact O-N 2.81Å; L245-S248 PolarHBondContact O-OG 3.32Å; L245-I249 WeakPolarHBondContact O-CD1 3.44Å; L245-I249 VanDerWaalsContact O-CG1 3.25Å; L245-I249 WeakPolarHBondContact O-CG1 3.49Å; L245-I249 PolarHBondContact O-N 2.86Å; L245-I249 VanDerWaalsContact O-N 3.14Å; L245-V281 HydrophobicContact CD2-CG1 4.18Å; L245-V281 HydrophobicContact CD2-CG2 4.29Å; L245-E285 WeakPolarHBondContact CD2-O 3.44Å; L245-C287 WeakPolarHBondContact CD2-SG 3.45Å; L245-I351 HydrophobicContact CB-CD1 4.15Å; L245-I351 HydrophobicContact CB-CG2 4.4Å; L245-I351 HydrophobicContact CD1-CG2 4.2Å
246	A	98.6	Very high	97.8	Very high	0 Å²	0	21.9 Å²	21.9	0%	0	13%	0.125	C	C	.	.	H	α-helix	trans	-65.2	-40.6	-177.9	0	0	0	0	0	112.9	M242 I243 A250 Y348 M407 I432	M242-A246 VanDerWaalsContact O-CB 3.28Å; M242-A246 WeakPolarHBondContact O-CB 3.41Å; M242-A246 PolarHBondContact O-N 2.92Å; I243-A246 PolarHBondContact O-N 2.85Å; A246-A250 PolarHBondContact O-N 3.1Å; A246-Y348 HydrophobicContact CB-CD1 4.05Å; A246-Y348 HydrophobicContact CB-CE1 3.71Å; A246-Y348 PolarHBondContact O-OH 3.11Å; A246-M407 HydrophobicContact CB-CE 3.72Å; A246-M407 HydrophobicContact CB-SD 4.24Å; A246-I432 HydrophobicContact CB-CD1 3.92Å
247	L	98.6	Very high	97.9	Very high	39 Å²	39	18.1 Å²	18.1	20%	0.204	11%	0.105	C	C	.	.	H	α-helix	trans	-66.3	-45.3	179.5	-179.9	57.4	0	0	0	112	I243 L245 A250 S251 K429 I432 S433	I243-L247 WeakPolarHBondContact O-CB 3.47Å; I243-L247 PolarHBondContact O-N 2.77Å; L245-L247 PolarHBondContact O-N 2.92Å; L247-A250 WeakPolarHBondContact O-CB 3.47Å; L247-A250 PolarHBondContact O-N 3.33Å; L247-S251 WeakPolarHBondContact O-CB 3.38Å; L247-S251 PolarHBondContact O-N 2.86Å; L247-K429 HydrophobicContact CD1-CG 4.08Å; L247-I432 HydrophobicContact CB-CG2 3.74Å; L247-I432 HydrophobicContact CD1-CB 4.2Å; L247-I432 HydrophobicContact CD1-CG2 4.22Å; L247-I432 HydrophobicContact CG-CG2 4.46Å; L247-S433 WeakPolarHBondContact CD1-OG 3.37Å
248	S	98.7	Very high	97.9	Very high	6 Å²	6	22.2 Å²	22.2	4%	0.042	13%	0.125	C	C	.	.	H	α-helix	trans	-63.3	-40.9	178.2	47.7	0	0	0	0	111.7	N198 K244 L245 S251 G252 C287	N198-S248 WeakPolarHBondContact CB-O 3.48Å; N198-S248 VanDerWaalsContact CG-O 3.23Å; N198-S248 WeakPolarHBondContact ND2-CB 3.39Å; N198-S248 PolarHBondContact OD1-O 3.33Å; K244-S248 WeakPolarHBondContact O-CB 3.45Å; K244-S248 PolarHBondContact O-N 3.02Å; K244-S248 PolarHBondContact O-OG 3.04Å; L245-S248 PolarHBondContact O-N 2.81Å; L245-S248 PolarHBondContact O-OG 3.32Å; S248-S251 PolarHBondContact O-N 3.28Å; S248-G252 PolarHBondContact O-N 2.95Å; S248-C287 WeakPolarHBondContact OG-CB 3.29Å; S248-C287 PolarHBondContact OG-N 3.47Å
249	I	98.9	Very high	97.9	Very high	0 Å²	0	21.8 Å²	21.8	0%	0	12%	0.116	C	C	.	.	H	α-helix	trans	-59.9	-47.5	171.7	-64.3	163.8	0	0	0	111	L228 L245 S251 G252 L253 I279 C287 V344 V347 Y348 I351	L228-I249 HydrophobicContact CD2-CD1 3.88Å; L245-I249 WeakPolarHBondContact O-CD1 3.44Å; L245-I249 VanDerWaalsContact O-CG1 3.25Å; L245-I249 WeakPolarHBondContact O-CG1 3.49Å; L245-I249 PolarHBondContact O-N 2.86Å; L245-I249 VanDerWaalsContact O-N 3.14Å; I249-S251 VanDerWaalsContact C-N 3.27Å; I249-S251 PolarHBondContact O-N 3.03Å; I249-G252 PolarHBondContact O-N 3.5Å; I249-L253 PolarHBondContact O-N 2.88Å; I249-I279 HydrophobicContact CD1-CD1 4.1Å; I249-I279 HydrophobicContact CD1-CG2 4.2Å; I249-I279 HydrophobicContact CG1-CD1 4.24Å; I249-I279 HydrophobicContact CG1-CG2 3.96Å; I249-I279 HydrophobicContact CG2-CD1 4.21Å; I249-C287 HydrophobicContact CD1-CB 4.4Å; I249-C287 HydrophobicContact CG1-CB 3.6Å; I249-V344 HydrophobicContact CG2-CG2 4.36Å; I249-V347 HydrophobicContact CD1-CG1 4.12Å; I249-Y348 HydrophobicContact CB-CE1 4.31Å; I249-Y348 HydrophobicContact CD1-CE1 4.46Å; I249-Y348 HydrophobicContact CG2-CE1 4.28Å; I249-I351 HydrophobicContact CD1-CD1 3.71Å
250	A	98.8	Very high	97.8	Very high	2 Å²	2	22.3 Å²	22.3	2%	0.017	12%	0.118	C	C	.	.	H	α-helix	trans	-60	-40	178.4	0	0	0	0	0	111.9	A246 L247 A254 Y348 I428 K429	A246-A250 PolarHBondContact O-N 3.1Å; L247-A250 WeakPolarHBondContact O-CB 3.47Å; L247-A250 PolarHBondContact O-N 3.33Å; A250-A254 WeakPolarHBondContact O-CB 3.26Å; A250-A254 PolarHBondContact O-N 3.42Å; A250-Y348 WeakPolarHBondContact CB-OH 3.5Å; A250-I428 HydrophobicContact CB-CB 4.49Å; A250-I428 HydrophobicContact CB-CG2 3.86Å; A250-K429 HydrophobicContact CB-CB 3.99Å
251	S	98.7	Very high	97.6	Very high	6 Å²	6	26.5 Å²	26.5	4%	0.042	14%	0.139	C	C	.	.	H	α-helix	trans	-66.7	-46.1	179.9	-166.7	0	0	0	0	111.6	H196 N198 L247 S248 I249 A254 H255 K429	H196-S251 PolarHBondContact CE1-OG 3.22Å; N198-S251 VanDerWaalsContact OD1-CB 3.26Å; N198-S251 WeakPolarHBondContact OD1-CB 3.45Å; N198-S251 PolarHBondContact OD1-OG 2.79Å; L247-S251 WeakPolarHBondContact O-CB 3.38Å; L247-S251 PolarHBondContact O-N 2.86Å; S248-S251 PolarHBondContact O-N 3.28Å; I249-S251 VanDerWaalsContact C-N 3.27Å; I249-S251 PolarHBondContact O-N 3.03Å; S251-A254 PolarHBondContact O-N 3.38Å; S251-H255 PolarHBondContact O-N 3.05Å; S251-K429 PolarHBondContact OG-NZ 3.28Å
252	G	98.7	Very high	97	Very high	0 Å²	0	28.8 Å²	28.8	0%	0	16%	0.162	C	C	.	.	H	α-helix	trans	-61	-47.4	174.5	0	0	0	0	0	112.4	S248 I249 A254 H255 L256	S248-G252 PolarHBondContact O-N 2.95Å; I249-G252 PolarHBondContact O-N 3.5Å; G252-A254 PolarHBondContact O-N 2.95Å; G252-H255 WeakPolarHBondContact O-CB 3.47Å; G252-H255 PolarHBondContact O-N 3.08Å; G252-L256 PolarHBondContact O-N 3.41Å
253	L	98.8	Very high	96	Very high	2 Å²	2	35.7 Å²	35.7	1%	0.01	21%	0.205	C	C	.	.	H	α-helix	trans	-67.5	-38.9	-179.6	-171.2	65.1	0	0	0	111.9	I249 H255 L256 H257 I274 I289 D340 I341 V344 A425	I249-L253 PolarHBondContact O-N 2.88Å; L253-H255 VanDerWaalsContact C-N 3.27Å; L253-H255 PolarHBondContact O-N 3.04Å; L253-L256 HydrophobicContact CD1-CD1 4.33Å; L253-L256 PolarHBondContact O-N 2.98Å; L253-H257 WeakPolarHBondContact CD1-NE2 3.38Å; L253-H257 WeakPolarHBondContact O-CB 3.35Å; L253-H257 PolarHBondContact O-N 2.95Å; L253-I274 HydrophobicContact CD1-CD1 4.23Å; L253-I289 HydrophobicContact CB-CD1 3.94Å; L253-D340 HydrophobicContact CD1-CB 4.25Å; L253-D340 HydrophobicContact CD2-CB 4.25Å; L253-I341 HydrophobicContact CD2-CD1 4.03Å; L253-V344 HydrophobicContact CD2-CB 4.45Å; L253-V344 HydrophobicContact CD2-CG2 3.44Å; L253-V344 VanDerWaalsContact CD2-CG2 3.44Å; L253-A425 HydrophobicContact CB-CB 4.15Å; L253-A425 HydrophobicContact CD2-CB 4.12Å; L253-A425 HydrophobicContact CG-CB 3.99Å
254	A	98.8	Very high	95.2	Very high	11 Å²	11	39.8 Å²	39.8	9%	0.091	22%	0.224	C	C	.	.	H	α-helix	trans	-60.6	-39.5	174.5	0	0	0	0	0	111.5	A250 S251 G252 M258 A425	A250-A254 WeakPolarHBondContact O-CB 3.26Å; A250-A254 PolarHBondContact O-N 3.42Å; S251-A254 PolarHBondContact O-N 3.38Å; G252-A254 PolarHBondContact O-N 2.95Å; A254-M258 WeakPolarHBondContact O-CB 3.34Å; A254-M258 PolarHBondContact O-N 3.44Å; A254-A425 HydrophobicContact CB-CB 3.95Å
255	H	98.6	Very high	94.7	Very high	20 Å²	20	36.1 Å²	36.1	9%	0.093	22%	0.216	C	C	.	.	H	α-helix	trans	-64.7	-44.2	174.5	-176.2	70.2	0	0	0	112.5	M193 L194 H196 S251 G252 L253 H257 M258 K266	M193-H255 PolarHBondContact O-CE1 2.89Å; M193-H255 PolarHBondContact O-NE2 3.23Å; M193-H255 VanDerWaalsContact O-NE2 3.09Å; L194-H255 PolarHBondContact O-CD2 3.27Å; L194-H255 PolarHBondContact O-NE2 2.55Å; H196-H255 HydrophobicContact CB-CB 4.44Å; H196-H255 WeakPolarHBondContact CB-CD2 3.12Å; H196-H255 AromaticContact CD2-CG 3.8Å; H196-H255 AromaticContact CD2-ND1 3.94Å; H196-H255 AromaticContact CG-CD2 3.86Å; H196-H255 AromaticContact CG-CG 3.76Å; S251-H255 PolarHBondContact O-N 3.05Å; G252-H255 WeakPolarHBondContact O-CB 3.47Å; G252-H255 PolarHBondContact O-N 3.08Å; L253-H255 VanDerWaalsContact C-N 3.27Å; L253-H255 PolarHBondContact O-N 3.04Å; H255-H257 PolarHBondContact O-N 2.68Å; H255-M258 PolarHBondContact O-N 3.03Å; H255-K266 WeakPolarHBondContact O-CE 3.48Å; H255-K266 PolarHBondContact O-NZ 3.31Å; H255-K266 VanDerWaalsContact O-NZ 3.14Å
256	L	98.4	Very high	94.4	Very high	0 Å²	0	36.2 Å²	36.2	0%	0	22%	0.216	C	C	.	.	H	α-helix	trans	-57.7	-50.8	174.5	-76.4	171.6	0	0	0	111.3	L194 I199 G252 L253 M258 K266 I269 I289 L292	L194-L256 HydrophobicContact CD1-CD2 3.7Å; I199-L256 HydrophobicContact CD1-CD1 3.74Å; I199-L256 HydrophobicContact CD1-CD2 4.08Å; I199-L256 HydrophobicContact CD1-CG 3.61Å; G252-L256 PolarHBondContact O-N 3.41Å; L253-L256 HydrophobicContact CD1-CD1 4.33Å; L253-L256 PolarHBondContact O-N 2.98Å; L256-M258 VanDerWaalsContact C-N 3.26Å; L256-M258 PolarHBondContact O-N 2.97Å; L256-K266 PolarHBondContact O-NZ 2.93Å; L256-I269 CarbonylContact C-O 3.41Å; L256-I269 VanDerWaalsContact C-O 3.26Å; L256-I269 HydrophobicContact CD2-CB 4.22Å; L256-I269 HydrophobicContact CD2-CD1 4.49Å; L256-I269 HydrophobicContact CD2-CG2 4.23Å; L256-I269 PolarHBondContact O-N 3.45Å; L256-I289 HydrophobicContact CD1-CD1 4.26Å; L256-I289 HydrophobicContact CD1-CG2 4.31Å; L256-L292 HydrophobicContact CD1-CD2 4.23Å; L256-L292 HydrophobicContact CD2-CD1 4.46Å; L256-L292 HydrophobicContact CD2-CD2 4.45Å
257	H	98.6	Very high	94.3	Very high	14 Å²	14	37.9 Å²	37.9	7%	0.065	23%	0.227	C	C	.	.	H	α-helix	trans	-69.9	-18.3	-175.5	-77.3	-163.7	0	0	0	114.6	L253 H255 I269 K337 D340	L253-H257 WeakPolarHBondContact CD1-NE2 3.38Å; L253-H257 WeakPolarHBondContact O-CB 3.35Å; L253-H257 PolarHBondContact O-N 2.95Å; H255-H257 PolarHBondContact O-N 2.68Å; H257-I269 PolarHBondContact CD2-O 2.91Å; H257-I269 VanDerWaalsContact CD2-O 3.26Å; H257-K337 HydrophobicContact CB-CD 4.33Å; H257-K337 HydrophobicContact CB-CG 4.47Å; H257-K337 PolarHBondContact CE1-O 2.91Å; H257-D340 IonicContact CD2-OD2 3.5Å; H257-D340 IonicContact CE1-OD2 2.73Å; H257-D340 IonicContact NE2-OD2 3.23Å; H257-D340 PolarHBondContact NE2-OD2 3.29Å
258	M	97.4	Very high	94.2	Very high	93 Å²	93	36.3 Å²	36.3	46%	0.458	22%	0.22	S	C	.	.			trans	-84.5	128.8	-177.7	-178.9	171.7	68.3	0	0	110.9	A254 H255 L256 I260 K266	A254-M258 WeakPolarHBondContact O-CB 3.34Å; A254-M258 PolarHBondContact O-N 3.44Å; H255-M258 PolarHBondContact O-N 3.03Å; L256-M258 VanDerWaalsContact C-N 3.26Å; L256-M258 PolarHBondContact O-N 2.97Å; M258-I260 HydrophobicContact CE-CD1 4.23Å; M258-I260 HydrophobicContact CE-CG1 4.1Å; M258-K266 PolarHBondContact O-NZ 3.26Å
259	E	95.8	Very high	94.2	Very high	81 Å²	81	36 Å²	36	38%	0.379	22%	0.218	S	C	.	.			trans	-79.1	136.8	163.8	-173	-179.1	-178.4	0	0	109.3	K266 A268 S300	E259-K266 WeakPolarHBondContact CA-O 3.25Å; E259-A268 HydrophobicContact CB-CB 4.25Å; E259-S300 WeakPolarHBondContact OE1-CB 3.46Å; E259-S300 PolarHBondContact OE1-OG 2.85Å
260	I	93.1	Very high	94.2	Very high	37 Å²	37	36 Å²	36	19%	0.19	22%	0.218	C	C	.	.	B	Isolated β-bridge	trans	-113.3	115.3	172.7	-55	175.3	0	0	0	107.2	M193 M258 G265 K266	M193-I260 HydrophobicContact CB-CD1 4.22Å; M193-I260 HydrophobicContact CE-CD1 3.98Å; M193-I260 HydrophobicContact CE-CG2 3.91Å; M193-I260 HydrophobicContact SD-CB 4.47Å; M193-I260 HydrophobicContact SD-CD1 4.36Å; M193-I260 HydrophobicContact SD-CG2 3.83Å; M258-I260 HydrophobicContact CE-CD1 4.23Å; M258-I260 HydrophobicContact CE-CG1 4.1Å; I260-G265 CarbonylContact O-C 3.53Å; I260-G265 WeakPolarHBondContact O-CA 3.43Å; I260-K266 HydrophobicContact CB-CB 3.84Å; I260-K266 HydrophobicContact CD1-CB 3.98Å; I260-K266 HydrophobicContact CD1-CD 4Å; I260-K266 HydrophobicContact CG1-CB 3.97Å; I260-K266 HydrophobicContact CG1-CD 4.39Å; I260-K266 PolarHBondContact N-O 3.37Å; I260-K266 PolarHBondContact O-N 3.5Å
261	V	90.6	Very high	94.2	Very high	129 Å²	129	35.9 Å²	35.9	78%	0.782	22%	0.217	S	C	*	.			trans	-84.2	137.6	180	-175.8	0	0	0	0	109.7
262	G	85.2	Confident	94.1	Very high	53 Å²	53	36.2 Å²	36.2	55%	0.546	22%	0.217	S	C	.	.	S	Bend	trans	158.6	177.8	177.5	0	0	0	0	0	112.3	Q264 G265	G262-Q264 PolarHBondContact O-N 3.4Å; G262-G265 PolarHBondContact O-N 3.19Å; G262-G265 VanDerWaalsContact O-N 3.13Å
263	T	76.8	Confident	94	Very high	146 Å²	146	36.6 Å²	36.6	90%	0.896	22%	0.219	S	C	*	.	T	Hydrogen-bonded Turn	trans	-60.7	-32	175.7	47.7	0	0	0	0	112.6
264	Q	80.6	Confident	94	Very high	90 Å²	90	36.6 Å²	36.6	42%	0.421	22%	0.219	S	C	.	.	T	Hydrogen-bonded Turn	trans	-112.7	53.8	171.5	-68.2	-60.1	-20.7	0	0	109.6	G128 V192 G262	G128-Q264 PolarHBondContact O-OE1 3.19Å; G128-Q264 VanDerWaalsContact O-OE1 3.1Å; V192-Q264 HydrophobicContact CG1-CB 3.73Å; V192-Q264 WeakPolarHBondContact CG1-O 3.46Å; G262-Q264 PolarHBondContact O-N 3.4Å
265	G	85.7	Confident	94	Very high	29 Å²	29	37.5 Å²	37.5	30%	0.299	22%	0.221	S	C	.	.			trans	-66.3	154.1	-176.9	0	0	0	0	0	113.5	I260 G262	I260-G265 CarbonylContact O-C 3.53Å; I260-G265 WeakPolarHBondContact O-CA 3.43Å; G262-G265 PolarHBondContact O-N 3.19Å; G262-G265 VanDerWaalsContact O-N 3.13Å
266	K	94.2	Very high	94	Very high	2 Å²	2	36.6 Å²	36.6	1%	0.009	22%	0.217	C	C	.	.	B	Isolated β-bridge	trans	-107.3	122.2	171.9	-174.1	-164.9	149.5	-63.5	0	108.9	T191 V192 M193 H255 L256 M258 E259 I260	T191-K266 HydrophobicContact CG2-CG 4.35Å; V192-K266 WeakPolarHBondContact O-CB 3.26Å; V192-K266 WeakPolarHBondContact O-CG 3.31Å; M193-K266 HydrophobicContact CB-CB 4.13Å; H255-K266 WeakPolarHBondContact O-CE 3.48Å; H255-K266 PolarHBondContact O-NZ 3.31Å; H255-K266 VanDerWaalsContact O-NZ 3.14Å; L256-K266 PolarHBondContact O-NZ 2.93Å; M258-K266 PolarHBondContact O-NZ 3.26Å; E259-K266 WeakPolarHBondContact CA-O 3.25Å; I260-K266 HydrophobicContact CB-CB 3.84Å; I260-K266 HydrophobicContact CD1-CB 3.98Å; I260-K266 HydrophobicContact CD1-CD 4Å; I260-K266 HydrophobicContact CG1-CB 3.97Å; I260-K266 HydrophobicContact CG1-CD 4.39Å; I260-K266 PolarHBondContact N-O 3.37Å; I260-K266 PolarHBondContact O-N 3.5Å
267	P	95.8	Very high	93.9	Very high	35 Å²	35	42 Å²	42	23%	0.227	24%	0.24	C	C	.	.			trans	-64.5	153.6	171.5	28	-34	0	0	0	110.8	T191 I269 K297 H298	T191-P267 HydrophobicContact CG2-CG 3.91Å; P267-I269 WeakPolarHBondContact O-CG1 3.37Å; P267-K297 HydrophobicContact CB-CB 4.31Å; P267-K297 HydrophobicContact CG-CB 4.3Å; P267-K297 HydrophobicContact CG-CD 3.99Å; P267-K297 HydrophobicContact CG-CG 4.22Å; P267-H298 VanDerWaalsContact CB-O 3.26Å; P267-H298 WeakPolarHBondContact CB-O 3.36Å
268	A	97.3	Very high	93.9	Very high	6 Å²	6	42 Å²	42	5%	0.05	24%	0.241	C	C	.	.			trans	-66.9	139.2	168.9	0	0	0	0	0	109.6	E259 K297 H298 F333	E259-A268 HydrophobicContact CB-CB 4.25Å; A268-K297 WeakPolarHBondContact O-CA 3.32Å; A268-H298 HydrophobicContact CB-CB 4.27Å; A268-H298 PolarHBondContact O-N 2.86Å; A268-F333 VanDerWaalsContact C-CZ 3.47Å; A268-F333 HydrophobicContact CB-CD1 4.31Å; A268-F333 HydrophobicContact CB-CE1 3.48Å; A268-F333 VanDerWaalsContact CB-CE1 3.48Å; A268-F333 HydrophobicContact CB-CZ 3.98Å; A268-F333 VanDerWaalsContact O-CZ 3.25Å; A268-F333 WeakPolarHBondContact O-CZ 3.36Å
269	I	98.1	Very high	93.9	Very high	0 Å²	0	37.6 Å²	37.6	0%	0	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.8	131.1	-175.6	-52	-175.9	0	0	0	109.5	T191 L194 L256 H257 P267 A295 V296 K297	T191-I269 HydrophobicContact CG2-CD1 4.23Å; L194-I269 HydrophobicContact CD1-CD1 3.87Å; L256-I269 CarbonylContact C-O 3.41Å; L256-I269 VanDerWaalsContact C-O 3.26Å; L256-I269 HydrophobicContact CD2-CB 4.22Å; L256-I269 HydrophobicContact CD2-CD1 4.49Å; L256-I269 HydrophobicContact CD2-CG2 4.23Å; L256-I269 PolarHBondContact O-N 3.45Å; H257-I269 PolarHBondContact CD2-O 2.91Å; H257-I269 VanDerWaalsContact CD2-O 3.26Å; P267-I269 WeakPolarHBondContact O-CG1 3.37Å; I269-A295 HydrophobicContact CG2-CB 3.82Å; I269-V296 CarbonylContact C-O 3.55Å; I269-V296 VanDerWaalsContact CA-O 3.29Å; I269-V296 WeakPolarHBondContact CA-O 3.49Å; I269-K297 HydrophobicContact CG1-CG 4.23Å
270	A	98	Very high	94.1	Very high	0 Å²	0	35.4 Å²	35.4	0%	0	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110	136.8	169.8	0	0	0	0	0	109.8	A295 V296 F333 F336 K337 D340	A270-A295 CarbonylContact O-C 3.51Å; A270-A295 WeakPolarHBondContact O-CA 3.38Å; A270-A295 WeakPolarHBondContact O-CB 3.41Å; A270-V296 HydrophobicContact CB-CG2 4Å; A270-V296 PolarHBondContact N-O 3.4Å; A270-V296 PolarHBondContact O-N 2.66Å; A270-F333 HydrophobicContact CB-CE2 4.12Å; A270-F333 HydrophobicContact CB-CZ 3.98Å; A270-F336 HydrophobicContact CB-CB 3.44Å; A270-F336 VanDerWaalsContact CB-CB 3.44Å; A270-K337 HydrophobicContact CB-CG 4.38Å; A270-D340 WeakPolarHBondContact CA-OD2 3.43Å
271	H	98.2	Very high	94.3	Very high	0 Å²	0	33.7 Å²	33.7	0%	0	20%	0.201	C	C	.	.			trans	-82.5	-42	-167.8	-176	-50.3	0	0	0	113.4	D273 I274 I289 A290 D291 D340	H271-D273 PolarHBondContact CE1-O 3.33Å; H271-D273 PolarHBondContact ND1-N 2.94Å; H271-D273 VanDerWaalsContact ND1-N 3.16Å; H271-D273 PolarHBondContact O-N 3.2Å; H271-D273 VanDerWaalsContact O-N 3.17Å; H271-I274 HydrophobicContact CB-CD1 3.78Å; H271-I274 HydrophobicContact CB-CG1 3.89Å; H271-I274 WeakPolarHBondContact CD2-CD1 3.42Å; H271-I289 WeakPolarHBondContact CD2-CG2 3.19Å; H271-A290 PolarHBondContact NE2-O 3.37Å; H271-D291 PolarHBondContact CE1-O 2.88Å; H271-D291 VanDerWaalsContact CE1-O 3.25Å; H271-D340 PolarHBondContact N-OD1 3.27Å; H271-D340 PolarHBondContact N-OD2 2.71Å
272	R	96.8	Very high	94.6	Very high	13 Å²	13	29 Å²	29	5%	0.049	17%	0.17	C	C	.	.	S	Bend	trans	67.5	3.2	177.5	-57	171.4	58.6	-154	15	117.1	L294 V296 P311 V313 F336 D340	R272-L294 WeakPolarHBondContact CD-O 3.35Å; R272-L294 PolarHBondContact NH1-O 3.35Å; R272-V296 HydrophobicContact CG-CG2 4.44Å; R272-P311 VanDerWaalsContact NH2-C 3.32Å; R272-P311 PolarHBondContact NH2-O 3.02Å; R272-V313 VanDerWaalsContact NH2-CG2 3.25Å; R272-F336 HydrophobicContact CG-CD1 3.86Å; R272-D340 PolarHBondContact N-OD1 3.32Å
273	D	97.1	Very high	95	Very high	8 Å²	8	35.2 Å²	35.2	4%	0.043	18%	0.182	C	C	.	.			trans	-151.2	42.4	175.8	-162.6	31.1	0	0	0	112.2	H271 K275 N278 L294 G314 T315	H271-D273 PolarHBondContact CE1-O 3.33Å; H271-D273 PolarHBondContact ND1-N 2.94Å; H271-D273 VanDerWaalsContact ND1-N 3.16Å; H271-D273 PolarHBondContact O-N 3.2Å; H271-D273 VanDerWaalsContact O-N 3.17Å; D273-K275 PolarHBondContact O-N 2.99Å; D273-K275 IonicContact OD1-NZ 2.72Å; D273-K275 IonicContact OD2-NZ 3.74Å; D273-K275 PolarHBondContact OD2-NZ 2.76Å; D273-N278 PolarHBondContact O-ND2 2.99Å; D273-N278 VanDerWaalsContact O-ND2 3.14Å; D273-N278 PolarHBondContact OD2-ND2 3.23Å; D273-L294 HydrophobicContact CB-CD1 3.92Å; D273-G314 WeakPolarHBondContact OD1-CA 3.29Å; D273-T315 VanDerWaalsContact OD1-CB 3.31Å; D273-T315 WeakPolarHBondContact OD1-CB 3.48Å; D273-T315 PolarHBondContact OD1-N 3.04Å; D273-T315 PolarHBondContact OD1-OG1 2.93Å
274	I	98.6	Very high	95.8	Very high	1 Å²	1	32.1 Å²	32.1	1%	0.005	17%	0.166	C	C	.	.			trans	-65.5	124.7	172.9	-64.5	-67.4	0	0	0	109.2	L253 H271 I289 D340 S343 V344 V347	L253-I274 HydrophobicContact CD1-CD1 4.23Å; H271-I274 HydrophobicContact CB-CD1 3.78Å; H271-I274 HydrophobicContact CB-CG1 3.89Å; H271-I274 WeakPolarHBondContact CD2-CD1 3.42Å; I274-I289 HydrophobicContact CD1-CD1 4.48Å; I274-I289 HydrophobicContact CD1-CG2 3.98Å; I274-D340 HydrophobicContact CG1-CB 4.33Å; I274-S343 WeakPolarHBondContact O-CB 3.31Å; I274-V344 HydrophobicContact CG2-CG2 3.75Å; I274-V347 HydrophobicContact CG2-CG2 4.25Å
275	K	98.5	Very high	96.4	Very high	31 Å²	31	31.8 Å²	31.8	14%	0.135	16%	0.164	C	C	.	.			trans	-162.4	162.1	174.4	65	-158.1	-173.5	-149.8	0	109.4	D273 K277 N278 T315 Y318	D273-K275 PolarHBondContact O-N 2.99Å; D273-K275 IonicContact OD1-NZ 2.72Å; D273-K275 IonicContact OD2-NZ 3.74Å; D273-K275 PolarHBondContact OD2-NZ 2.76Å; K275-K277 HydrophobicContact CG-CB 4.23Å; K275-K277 PolarHBondContact O-N 3.18Å; K275-K277 VanDerWaalsContact O-N 3.15Å; K275-N278 VanDerWaalsContact CE-CG 3.44Å; K275-N278 WeakPolarHBondContact CE-ND2 3.43Å; K275-N278 VanDerWaalsContact CE-OD1 3.24Å; K275-N278 WeakPolarHBondContact CE-OD1 3.47Å; K275-N278 HydrophobicContact CG-CB 4.04Å; K275-N278 PolarHBondContact O-N 2.87Å; K275-T315 HydrophobicContact CD-CG2 4.19Å; K275-T315 WeakPolarHBondContact CD-OG1 3.41Å; K275-T315 WeakPolarHBondContact CE-OG1 3.16Å; K275-T315 PolarHBondContact NZ-OG1 3.27Å; K275-Y318 HydrophobicContact CB-CD1 4.04Å; K275-Y318 HydrophobicContact CB-CD2 3.79Å; K275-Y318 HydrophobicContact CB-CE1 3.96Å; K275-Y318 HydrophobicContact CB-CE2 3.71Å; K275-Y318 HydrophobicContact CB-CG 3.96Å
276	S	98.5	Very high	96.9	Very high	0 Å²	0	32 Å²	32	0%	0	16%	0.16	C	C	.	.	G	3₁₀ helix	trans	-59.5	-27.8	-179.2	53	0	0	0	0	113.7	L228 Y229 N278 Y318 E350	L228-S276 WeakPolarHBondContact CB-O 3.41Å; L228-S276 PolarHBondContact N-O 3.37Å; Y229-S276 PolarHBondContact N-O 2.72Å; Y229-S276 VanDerWaalsContact N-O 3.11Å; S276-N278 VanDerWaalsContact C-N 3.34Å; S276-N278 PolarHBondContact O-N 3.11Å; S276-Y318 PolarHBondContact OG-OH 3.39Å; S276-E350 VanDerWaalsContact CB-OE2 3.22Å; S276-E350 WeakPolarHBondContact CB-OE2 3.21Å; S276-E350 PolarHBondContact OG-OE1 3.26Å; S276-E350 PolarHBondContact OG-OE2 3.38Å
277	K	97.3	Very high	97.2	Very high	113 Å²	113	32 Å²	32	49%	0.491	16%	0.159	S	C	.	.	G	3₁₀ helix	trans	-71.2	-22.5	173.7	-68.9	-173.8	176.4	-174.7	0	114.7	Y229 K275	Y229-K277 HydrophobicContact CD1-CG 4.24Å; Y229-K277 HydrophobicContact CD2-CG 4.01Å; Y229-K277 HydrophobicContact CG-CD 4.41Å; Y229-K277 HydrophobicContact CG-CG 3.69Å; K275-K277 HydrophobicContact CG-CB 4.23Å; K275-K277 PolarHBondContact O-N 3.18Å; K275-K277 VanDerWaalsContact O-N 3.15Å
278	N	97.9	Very high	97.3	Very high	15 Å²	15	30.3 Å²	30.3	8%	0.08	15%	0.149	C	C	.	.	G	3₁₀ helix	trans	-101.7	14	-179.5	-72.5	5.9	0	0	0	112.4	D273 K275 S276 A290 D291	D273-N278 PolarHBondContact O-ND2 2.99Å; D273-N278 VanDerWaalsContact O-ND2 3.14Å; D273-N278 PolarHBondContact OD2-ND2 3.23Å; K275-N278 VanDerWaalsContact CE-CG 3.44Å; K275-N278 WeakPolarHBondContact CE-ND2 3.43Å; K275-N278 VanDerWaalsContact CE-OD1 3.24Å; K275-N278 WeakPolarHBondContact CE-OD1 3.47Å; K275-N278 HydrophobicContact CG-CB 4.04Å; K275-N278 PolarHBondContact O-N 2.87Å; S276-N278 VanDerWaalsContact C-N 3.34Å; S276-N278 PolarHBondContact O-N 3.11Å; N278-A290 PolarHBondContact O-N 3.29Å; N278-D291 HydrophobicContact CB-CB 4.19Å; N278-D291 PolarHBondContact ND2-OD2 3.16Å; N278-D291 PolarHBondContact OD1-OD2 3.25Å
279	I	98.8	Very high	97.4	Very high	1 Å²	1	30 Å²	30	1%	0.005	15%	0.146	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.8	126.8	174.5	-63.9	166.7	0	0	0	105.9	S227 L228 I249 C287 V347	S227-I279 CarbonylContact C-O 3.59Å; S227-I279 VanDerWaalsContact CA-O 3.28Å; S227-I279 WeakPolarHBondContact CA-O 3.38Å; L228-I279 HydrophobicContact CB-CB 4.13Å; L228-I279 HydrophobicContact CB-CG2 4.14Å; L228-I279 HydrophobicContact CD2-CB 4.43Å; L228-I279 HydrophobicContact CD2-CD1 4.45Å; L228-I279 HydrophobicContact CD2-CG2 4.23Å; L228-I279 PolarHBondContact N-O 3.38Å; I249-I279 HydrophobicContact CD1-CD1 4.1Å; I249-I279 HydrophobicContact CD1-CG2 4.2Å; I249-I279 HydrophobicContact CG1-CD1 4.24Å; I249-I279 HydrophobicContact CG1-CG2 3.96Å; I249-I279 HydrophobicContact CG2-CD1 4.21Å; I279-C287 HydrophobicContact CG2-CB 3.64Å; I279-V347 HydrophobicContact CD1-CG1 3.9Å; I279-V347 HydrophobicContact CD1-CG2 4.29Å
280	L	98.4	Very high	97.3	Very high	35 Å²	35	30.5 Å²	30.5	18%	0.183	15%	0.15	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.5	147.1	179.6	-61	175.2	0	0	0	110.4	L200 H223 G226 C287 A288 A290	L200-L280 HydrophobicContact CD1-CD1 3.85Å; L200-L280 HydrophobicContact CD2-CD1 4.11Å; L200-L280 HydrophobicContact CG-CD1 4.48Å; H223-L280 HydrophobicContact CB-CB 4.35Å; G226-L280 WeakPolarHBondContact O-CA 3.28Å; L280-C287 CarbonylContact O-C 3.59Å; L280-C287 WeakPolarHBondContact O-CA 3.43Å; L280-A288 PolarHBondContact N-O 3.43Å; L280-A288 PolarHBondContact O-N 3.46Å; L280-A290 HydrophobicContact CD1-CB 4.02Å; L280-A290 HydrophobicContact CG-CB 4.08Å
281	V	98.6	Very high	97.1	Very high	0 Å²	0	31.9 Å²	31.9	0%	0	16%	0.158	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.4	130.8	174.8	-176.8	0	0	0	0	109.2	Q225 G226 L228 Y231 L245	Q225-V281 HydrophobicContact CB-CB 3.85Å; Q225-V281 HydrophobicContact CB-CG1 4.1Å; Q225-V281 WeakPolarHBondContact CB-O 3.27Å; Q225-V281 HydrophobicContact CG-CG1 4.41Å; G226-V281 PolarHBondContact O-N 2.75Å; L228-V281 HydrophobicContact CB-CG2 4.15Å; L228-V281 HydrophobicContact CD1-CG2 3.89Å; Y231-V281 HydrophobicContact CD1-CG2 4.24Å; Y231-V281 HydrophobicContact CD2-CB 4.23Å; Y231-V281 HydrophobicContact CD2-CG1 3.91Å; Y231-V281 HydrophobicContact CD2-CG2 4.38Å; Y231-V281 HydrophobicContact CE2-CG1 4.03Å; Y231-V281 HydrophobicContact CG-CB 4.25Å; Y231-V281 HydrophobicContact CG-CG1 4.17Å; Y231-V281 HydrophobicContact CG-CG2 3.89Å; L245-V281 HydrophobicContact CD2-CG1 4.18Å; L245-V281 HydrophobicContact CD2-CG2 4.29Å
282	K	97.1	Very high	97	Very high	32 Å²	32	31.9 Å²	31.9	14%	0.139	16%	0.158	C	C	.	.	P	Polyproline II helix	trans	-86.7	164.7	177.8	-59	-168.1	-177.5	-156.9	0	110.8	E197 C284 E285 T286	E197-K282 WeakPolarHBondContact O-CE 3.09Å; E197-K282 PolarHBondContact O-NZ 2.8Å; K282-C284 PolarHBondContact O-N 2.66Å; K282-C284 VanDerWaalsContact O-N 3.16Å; K282-E285 PolarHBondContact O-N 2.73Å; K282-T286 WeakPolarHBondContact CB-O 3.39Å; K282-T286 WeakPolarHBondContact CG-O 3.24Å; K282-T286 PolarHBondContact N-O 2.83Å
283	K	93.5	Very high	96.9	Very high	183 Å²	183	31.7 Å²	31.7	80%	0.796	16%	0.159	S	C	*	.	T	Hydrogen-bonded Turn	trans	-56.1	-30.3	173.7	-172.5	172.8	-177.5	170.4	0	113.8	E285	K283-E285 PolarHBondContact O-N 3.48Å
284	C	92.4	Very high	96.7	Very high	81 Å²	81	32.3 Å²	32.3	55%	0.547	16%	0.162	S	C	.	.	T	Hydrogen-bonded Turn	trans	-85.7	14.3	175.6	59.9	0	0	0	0	114.2	K282 T286	K282-C284 PolarHBondContact O-N 2.66Å; K282-C284 VanDerWaalsContact O-N 3.16Å; C284-T286 PolarHBondContact O-N 3.36Å; C284-T286 PolarHBondContact SG-OG1 3.15Å
285	E	93	Very high	96.6	Very high	83 Å²	83	32.2 Å²	32.2	39%	0.388	16%	0.162	S	C	.	.	S	Bend	trans	59.6	28.5	178.6	-53.3	-175	143	0	0	114.2	Y231 L245 K282 K283	Y231-E285 PolarHBondContact OH-OE1 3.1Å; L245-E285 WeakPolarHBondContact CD2-O 3.44Å; K282-E285 PolarHBondContact O-N 2.73Å; K283-E285 PolarHBondContact O-N 3.48Å
286	T	97.9	Very high	96.5	Very high	33 Å²	33	30.8 Å²	30.8	20%	0.202	16%	0.156	C	C	.	.			trans	-105.1	160.8	166.2	61	0	0	0	0	109.7	K282 C284	K282-T286 WeakPolarHBondContact CB-O 3.39Å; K282-T286 WeakPolarHBondContact CG-O 3.24Å; K282-T286 PolarHBondContact N-O 2.83Å; C284-T286 PolarHBondContact O-N 3.36Å; C284-T286 PolarHBondContact SG-OG1 3.15Å
287	C	98.7	Very high	96.3	Very high	1 Å²	1	32.6 Å²	32.6	1%	0.007	16%	0.164	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.2	154.4	-178.7	-67.7	0	0	0	0	113	N198 L245 S248 I249 I279 L280	N198-C287 WeakPolarHBondContact CA-O 3.33Å; N198-C287 WeakPolarHBondContact CB-O 3.27Å; N198-C287 PolarHBondContact ND2-O 2.92Å; L245-C287 WeakPolarHBondContact CD2-SG 3.45Å; S248-C287 WeakPolarHBondContact OG-CB 3.29Å; S248-C287 PolarHBondContact OG-N 3.47Å; I249-C287 HydrophobicContact CD1-CB 4.4Å; I249-C287 HydrophobicContact CG1-CB 3.6Å; I279-C287 HydrophobicContact CG2-CB 3.64Å; L280-C287 CarbonylContact O-C 3.59Å; L280-C287 WeakPolarHBondContact O-CA 3.43Å
288	A	98.6	Very high	96.2	Very high	0 Å²	0	28.7 Å²	28.7	0%	0	15%	0.147	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128	130.8	163.2	0	0	0	0	0	110.6	N198 L280	N198-A288 WeakPolarHBondContact O-CA 3.45Å; L280-A288 PolarHBondContact N-O 3.43Å; L280-A288 PolarHBondContact O-N 3.46Å
289	I	98.8	Very high	95.9	Very high	1 Å²	1	31 Å²	31	1%	0.005	16%	0.16	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-77.1	132.9	175.6	-55.5	175.3	0	0	0	109.1	N198 I199 L200 L253 L256 H271 I274 L292	N198-I289 PolarHBondContact O-N 3.02Å; I199-I289 HydrophobicContact CD1-CB 3.97Å; I199-I289 HydrophobicContact CD1-CD1 4.32Å; I199-I289 HydrophobicContact CD1-CG1 4.45Å; L200-I289 WeakPolarHBondContact CB-O 3.45Å; L200-I289 PolarHBondContact N-O 3.37Å; L253-I289 HydrophobicContact CB-CD1 3.94Å; L256-I289 HydrophobicContact CD1-CD1 4.26Å; L256-I289 HydrophobicContact CD1-CG2 4.31Å; H271-I289 WeakPolarHBondContact CD2-CG2 3.19Å; I274-I289 HydrophobicContact CD1-CD1 4.48Å; I274-I289 HydrophobicContact CD1-CG2 3.98Å; I289-L292 HydrophobicContact CG2-CD2 4.5Å
290	A	97	Very high	95.3	Very high	9 Å²	9	33.4 Å²	33.4	7%	0.074	18%	0.176	C	C	.	.			trans	-128.1	177.3	-176.1	0	0	0	0	0	111.3	L200 H271 N278 L280	L200-A290 HydrophobicContact CB-CB 4.06Å; L200-A290 HydrophobicContact CD2-CB 3.71Å; L200-A290 HydrophobicContact CG-CB 4.5Å; H271-A290 PolarHBondContact NE2-O 3.37Å; N278-A290 PolarHBondContact O-N 3.29Å; L280-A290 HydrophobicContact CD1-CB 4.02Å; L280-A290 HydrophobicContact CG-CB 4.08Å
291	D	94.8	Very high	94.6	Very high	30 Å²	30	39 Å²	39	16%	0.16	21%	0.205	C	C	.	.			trans	59.5	61.2	177	-162.4	28.1	0	0	0	114	K172 Y189 H271 N278 G293	K172-D291 IonicContact NZ-OD1 2.7Å; K172-D291 PolarHBondContact NZ-OD1 2.89Å; Y189-D291 PolarHBondContact OH-N 3.43Å; Y189-D291 VanDerWaalsContact OH-N 3.13Å; H271-D291 PolarHBondContact CE1-O 2.88Å; H271-D291 VanDerWaalsContact CE1-O 3.25Å; N278-D291 HydrophobicContact CB-CB 4.19Å; N278-D291 PolarHBondContact ND2-OD2 3.16Å; N278-D291 PolarHBondContact OD1-OD2 3.25Å; D291-G293 PolarHBondContact O-N 3.19Å
292	L	95.6	Very high	94.1	Very high	0 Å²	0	44.8 Å²	44.8	0%	0	24%	0.235	C	C	.	.	G	3₁₀ helix	trans	-81.8	11.6	-179.5	-55.7	-178.5	0	0	0	113.9	I188 Y189 L194 I199 L256 I289 L294 A295	I188-L292 HydrophobicContact CB-CB 4.38Å; I188-L292 HydrophobicContact CG2-CB 3.67Å; I188-L292 HydrophobicContact CG2-CD1 3.88Å; I188-L292 HydrophobicContact CG2-CG 4.4Å; Y189-L292 HydrophobicContact CD1-CD1 3.87Å; Y189-L292 HydrophobicContact CE1-CD1 3.6Å; Y189-L292 HydrophobicContact CE1-CG 3.96Å; Y189-L292 HydrophobicContact CE2-CB 4.41Å; L194-L292 HydrophobicContact CD2-CD1 4.06Å; I199-L292 HydrophobicContact CG2-CD1 4.34Å; L256-L292 HydrophobicContact CD1-CD2 4.23Å; L256-L292 HydrophobicContact CD2-CD1 4.46Å; L256-L292 HydrophobicContact CD2-CD2 4.45Å; I289-L292 HydrophobicContact CG2-CD2 4.5Å; L292-L294 PolarHBondContact O-N 3.46Å; L292-L294 VanDerWaalsContact O-N 3.14Å; L292-A295 HydrophobicContact CB-CB 4.39Å; L292-A295 WeakPolarHBondContact O-CB 3.48Å; L292-A295 PolarHBondContact O-N 3.14Å
293	G	93.3	Very high	93.6	Very high	8 Å²	8	48.9 Å²	48.9	8%	0.082	26%	0.259	C	S	.	.	G	3₁₀ helix	trans	-66.2	-16.2	-173.5	0	0	0	0	0	115.3	R184 D291	R184-G293 WeakPolarHBondContact CG-O 3.5Å; D291-G293 PolarHBondContact O-N 3.19Å
294	L	94.1	Very high	93.4	Very high	21 Å²	21	43.5 Å²	43.5	11%	0.11	24%	0.241	C	C	.	.	G	3₁₀ helix	trans	-103.8	-0.6	176	-64.1	178.2	0	0	0	113.6	F156 R272 D273 L292 V313	F156-L294 HydrophobicContact CE2-CD2 4.36Å; F156-L294 HydrophobicContact CZ-CD2 4.25Å; R272-L294 WeakPolarHBondContact CD-O 3.35Å; R272-L294 PolarHBondContact NH1-O 3.35Å; D273-L294 HydrophobicContact CB-CD1 3.92Å; L292-L294 PolarHBondContact O-N 3.46Å; L292-L294 VanDerWaalsContact O-N 3.14Å; L294-V313 HydrophobicContact CB-CG2 4.19Å; L294-V313 HydrophobicContact CD1-CB 4.21Å; L294-V313 HydrophobicContact CD1-CG2 4.12Å; L294-V313 HydrophobicContact CD2-CB 4.18Å; L294-V313 HydrophobicContact CD2-CG2 4.11Å; L294-V313 HydrophobicContact CG-CG2 4.37Å
295	A	96	Very high	93.3	Very high	0 Å²	0	41 Å²	41	0%	0	22%	0.222	C	C	.	.			trans	-64.4	158	-174.9	0	0	0	0	0	112.3	R184 I188 I269 A270 L292	R184-A295 PolarHBondContact NE-O 3.02Å; R184-A295 PolarHBondContact NH2-O 2.86Å; I188-A295 HydrophobicContact CD1-CB 4.31Å; I188-A295 HydrophobicContact CG1-CB 4.3Å; I188-A295 HydrophobicContact CG2-CB 4.18Å; I269-A295 HydrophobicContact CG2-CB 3.82Å; A270-A295 CarbonylContact O-C 3.51Å; A270-A295 WeakPolarHBondContact O-CA 3.38Å; A270-A295 WeakPolarHBondContact O-CB 3.41Å; L292-A295 HydrophobicContact CB-CB 4.39Å; L292-A295 WeakPolarHBondContact O-CB 3.48Å; L292-A295 PolarHBondContact O-N 3.14Å
296	V	95.8	Very high	93.1	Very high	0 Å²	0	39.4 Å²	39.4	0%	0	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.6	141.5	174.3	-67.6	0	0	0	0	110.4	I269 A270 R272 I305 D306 F333 F336	I269-V296 CarbonylContact C-O 3.55Å; I269-V296 VanDerWaalsContact CA-O 3.29Å; I269-V296 WeakPolarHBondContact CA-O 3.49Å; A270-V296 HydrophobicContact CB-CG2 4Å; A270-V296 PolarHBondContact N-O 3.4Å; A270-V296 PolarHBondContact O-N 2.66Å; R272-V296 HydrophobicContact CG-CG2 4.44Å; V296-I305 HydrophobicContact CB-CG2 3.99Å; V296-I305 HydrophobicContact CG2-CG2 4.21Å; V296-D306 VanDerWaalsContact CA-OD1 3.25Å; V296-D306 WeakPolarHBondContact CA-OD1 3.29Å; V296-D306 WeakPolarHBondContact CB-OD1 3.36Å; V296-F333 HydrophobicContact CG2-CE2 4.01Å; V296-F336 HydrophobicContact CG2-CB 4.36Å; V296-F336 HydrophobicContact CG2-CD1 4.22Å; V296-F336 HydrophobicContact CG2-CD2 4.26Å; V296-F336 HydrophobicContact CG2-CG 4.04Å
297	K	95.6	Very high	92.2	Very high	39 Å²	39	40.4 Å²	40.4	17%	0.17	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.2	141.8	175.8	-62.3	-179.7	-73.6	-176	0	109.7	E187 I188 P267 A268 I269 D306	E187-K297 IonicContact OE1-NZ 3.78Å; E187-K297 PolarHBondContact OE1-NZ 2.97Å; I188-K297 HydrophobicContact CD1-CD 3.9Å; I188-K297 HydrophobicContact CD1-CG 3.72Å; P267-K297 HydrophobicContact CB-CB 4.31Å; P267-K297 HydrophobicContact CG-CB 4.3Å; P267-K297 HydrophobicContact CG-CD 3.99Å; P267-K297 HydrophobicContact CG-CG 4.22Å; A268-K297 WeakPolarHBondContact O-CA 3.32Å; I269-K297 HydrophobicContact CG1-CG 4.23Å; K297-D306 WeakPolarHBondContact CB-OD2 3.35Å; K297-D306 WeakPolarHBondContact CE-OD2 3.49Å; K297-D306 PolarHBondContact N-OD1 3.04Å; K297-D306 PolarHBondContact O-N 3.49Å
298	H	95.3	Very high	91.1	Very high	31 Å²	31	43 Å²	43	14%	0.144	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.7	124.7	168.8	-172.8	-139.8	0	0	0	109.7	P267 A268 N303 T304 F333	P267-H298 VanDerWaalsContact CB-O 3.26Å; P267-H298 WeakPolarHBondContact CB-O 3.36Å; A268-H298 HydrophobicContact CB-CB 4.27Å; A268-H298 PolarHBondContact O-N 2.86Å; H298-N303 PolarHBondContact NE2-OD1 2.84Å; H298-T304 PolarHBondContact CD2-O 3.45Å; H298-F333 HydrophobicContact CB-CB 4.24Å; H298-F333 HydrophobicContact CB-CD1 3.73Å; H298-F333 HydrophobicContact CB-CD2 3.63Å; H298-F333 HydrophobicContact CB-CE1 3.9Å; H298-F333 HydrophobicContact CB-CE2 3.78Å; H298-F333 HydrophobicContact CB-CG 3.59Å; H298-F333 HydrophobicContact CB-CZ 3.92Å; H298-F333 AromaticContact CG-CG 3.79Å
299	D	90.9	Very high	89.8	Confident	63 Å²	63	52.5 Å²	52.5	34%	0.337	28%	0.281	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.8	104.1	163.5	-174.9	-28.6	0	0	0	107.7	I301 L302 N303 T304	D299-I301 VanDerWaalsContact C-N 3.28Å; D299-I301 PolarHBondContact O-N 2.88Å; D299-I301 WeakPolarHBondContact OD1-CB 3.36Å; D299-I301 PolarHBondContact OD1-N 2.88Å; D299-L302 HydrophobicContact CB-CB 4.47Å; D299-L302 PolarHBondContact OD1-N 3.13Å; D299-L302 WeakPolarHBondContact OD2-CD1 3.47Å; D299-N303 CarbonylContact O-C 3.56Å; D299-N303 WeakPolarHBondContact O-CA 3.41Å; D299-N303 PolarHBondContact O-N 2.8Å; D299-T304 PolarHBondContact N-O 2.83Å; D299-T304 PolarHBondContact O-N 3.34Å; D299-T304 VanDerWaalsContact O-N 3.12Å
300	S	86.2	Confident	88.7	Confident	51 Å²	51	56.9 Å²	56.9	36%	0.357	31%	0.305	S	S	.	.	T	Hydrogen-bonded Turn	trans	-70.7	-23.4	-178.5	57.3	0	0	0	0	113.2	E259	E259-S300 WeakPolarHBondContact OE1-CB 3.46Å; E259-S300 PolarHBondContact OE1-OG 2.85Å
301	I	84.4	Confident	87.6	Confident	154 Å²	154	58.9 Å²	58.9	79%	0.79	32%	0.317	S	S	*	.	T	Hydrogen-bonded Turn	trans	-77.1	-48.9	-179	-59	173.2	0	0	0	109.8	D299 N303	D299-I301 VanDerWaalsContact C-N 3.28Å; D299-I301 PolarHBondContact O-N 2.88Å; D299-I301 WeakPolarHBondContact OD1-CB 3.36Å; D299-I301 PolarHBondContact OD1-N 2.88Å; I301-N303 VanDerWaalsContact C-N 3.3Å
302	L	86.5	Confident	87	Confident	120 Å²	120	59.9 Å²	59.9	63%	0.628	32%	0.32	S	S	*	.	T	Hydrogen-bonded Turn	trans	-84.5	-10.3	178.2	-60.6	-178.6	0	0	0	112.6	D299 T304	D299-L302 HydrophobicContact CB-CB 4.47Å; D299-L302 PolarHBondContact OD1-N 3.13Å; D299-L302 WeakPolarHBondContact OD2-CD1 3.47Å; L302-T304 HydrophobicContact CB-CG2 3.93Å; L302-T304 WeakPolarHBondContact O-CG2 3.45Å; L302-T304 PolarHBondContact O-N 2.98Å
303	N	87	Confident	86.8	Confident	119 Å²	119	60.7 Å²	60.7	64%	0.636	32%	0.324	S	S	*	.	T	Hydrogen-bonded Turn	trans	50.8	42.5	-169.4	-167.6	38.1	0	0	0	112.2	H298 D299 I301	H298-N303 PolarHBondContact NE2-OD1 2.84Å; D299-N303 CarbonylContact O-C 3.56Å; D299-N303 WeakPolarHBondContact O-CA 3.41Å; D299-N303 PolarHBondContact O-N 2.8Å; I301-N303 VanDerWaalsContact C-N 3.3Å
304	T	90.5	Very high	86.8	Confident	70 Å²	70	61 Å²	61	43%	0.429	33%	0.327	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.4	160.2	179.6	61.8	0	0	0	0	111	H298 D299 L302	H298-T304 PolarHBondContact CD2-O 3.45Å; D299-T304 PolarHBondContact N-O 2.83Å; D299-T304 PolarHBondContact O-N 3.34Å; D299-T304 VanDerWaalsContact O-N 3.12Å; L302-T304 HydrophobicContact CB-CG2 3.93Å; L302-T304 WeakPolarHBondContact O-CG2 3.45Å; L302-T304 PolarHBondContact O-N 2.98Å
305	I	90.7	Very high	86.9	Confident	28 Å²	28	62.1 Å²	62.1	14%	0.144	34%	0.335	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.3	134.5	178.5	-51.6	165.1	0	0	0	106.5	V296 I307 V330 F333 F336	V296-I305 HydrophobicContact CB-CG2 3.99Å; V296-I305 HydrophobicContact CG2-CG2 4.21Å; I305-I307 HydrophobicContact CB-CD1 3.99Å; I305-I307 HydrophobicContact CB-CG1 3.67Å; I305-I307 HydrophobicContact CD1-CD1 4.38Å; I305-I307 HydrophobicContact CG2-CD1 4.08Å; I305-I307 HydrophobicContact CG2-CG1 3.41Å; I305-I307 VanDerWaalsContact CG2-CG1 3.41Å; I305-I307 PolarHBondContact O-N 3.48Å; I305-V330 WeakPolarHBondContact CD1-O 3.38Å; I305-F333 HydrophobicContact CD1-CB 3.81Å; I305-F333 HydrophobicContact CD1-CD2 4.35Å; I305-F333 HydrophobicContact CG1-CB 4.05Å; I305-F333 HydrophobicContact CG1-CD2 4.16Å; I305-F333 HydrophobicContact CG2-CD2 4.05Å; I305-F336 HydrophobicContact CD1-CD2 4.47Å; I305-F336 HydrophobicContact CD1-CE2 4.02Å; I305-F336 HydrophobicContact CG2-CE2 4.32Å
306	D	88.2	Confident	86.9	Confident	50 Å²	50	65.3 Å²	65.3	27%	0.267	35%	0.349	S	S	.	.			trans	-79.8	52.6	-178.3	69.4	-5.7	0	0	0	112.8	R184 V296 K297 P308	R184-D306 IonicContact CZ-OD1 4Å; R184-D306 IonicContact CZ-OD2 2.73Å; R184-D306 VanDerWaalsContact CZ-OD2 3.23Å; R184-D306 IonicContact NH1-OD2 2.89Å; R184-D306 PolarHBondContact NH1-OD2 3.22Å; R184-D306 PolarHBondContact NH2-O 2.98Å; R184-D306 IonicContact NH2-OD1 3.9Å; R184-D306 PolarHBondContact NH2-OD1 3.22Å; R184-D306 IonicContact NH2-OD2 3.23Å; R184-D306 PolarHBondContact NH2-OD2 2.89Å; V296-D306 VanDerWaalsContact CA-OD1 3.25Å; V296-D306 WeakPolarHBondContact CA-OD1 3.29Å; V296-D306 WeakPolarHBondContact CB-OD1 3.36Å; K297-D306 WeakPolarHBondContact CB-OD2 3.35Å; K297-D306 WeakPolarHBondContact CE-OD2 3.49Å; K297-D306 PolarHBondContact N-OD1 3.04Å; K297-D306 PolarHBondContact O-N 3.49Å; D306-P308 WeakPolarHBondContact O-CD 3.41Å
307	I	79.3	Confident	87	Confident	53 Å²	53	65.9 Å²	65.9	27%	0.272	35%	0.351	S	S	.	.			trans	-70.4	126.2	-172.3	-48.7	173.2	0	0	0	110.1	I305 P311 V330 F336	I305-I307 HydrophobicContact CB-CD1 3.99Å; I305-I307 HydrophobicContact CB-CG1 3.67Å; I305-I307 HydrophobicContact CD1-CD1 4.38Å; I305-I307 HydrophobicContact CG2-CD1 4.08Å; I305-I307 HydrophobicContact CG2-CG1 3.41Å; I305-I307 VanDerWaalsContact CG2-CG1 3.41Å; I305-I307 PolarHBondContact O-N 3.48Å; I307-P311 HydrophobicContact CG2-CB 4.24Å; I307-V330 HydrophobicContact CD1-CB 4.21Å; I307-V330 WeakPolarHBondContact CD1-O 3.29Å; I307-F336 HydrophobicContact CD1-CE2 4.21Å; I307-F336 HydrophobicContact CD1-CZ 4.03Å; I307-F336 HydrophobicContact CG1-CZ 4.31Å
308	P	75.3	Confident	87.2	Confident	57 Å²	57	64.5 Å²	64.5	37%	0.37	35%	0.345	S	S	.	.			trans	-64	160.6	169.7	-19.7	31.9	0	0	0	112.1	D306 N310	D306-P308 WeakPolarHBondContact O-CD 3.41Å; P308-N310 CarbonylContact O-C 3.59Å; P308-N310 PolarHBondContact O-N 3.45Å
309	Q	70.9	Confident	87.3	Confident	198 Å²	198	63.4 Å²	63.4	93%	0.925	34%	0.34	S	S	*	.	S	Bend	trans	-49.4	-26.9	-177.8	-79.6	-178.8	-23.2	0	0	115.8
310	N	76	Confident	87.7	Confident	94 Å²	94	60.4 Å²	60.4	50%	0.503	32%	0.324	S	S	.	.			trans	-112.4	109.7	174.1	-169.9	-9.8	0	0	0	111.1	P308 K312 V313	P308-N310 CarbonylContact O-C 3.59Å; P308-N310 PolarHBondContact O-N 3.45Å; N310-K312 VanDerWaalsContact C-N 3.34Å; N310-K312 PolarHBondContact OD1-N 3.21Å; N310-K312 PolarHBondContact OD1-O 3.41Å; N310-V313 WeakPolarHBondContact O-CG1 3.42Å
311	P	74.2	Confident	88.2	Confident	50 Å²	50	58.3 Å²	58.3	33%	0.325	31%	0.309	S	S	.	.			trans	-75.4	-22	178.1	29.3	-33.4	0	0	0	113.1	R272 I307 V313 V330	R272-P311 VanDerWaalsContact NH2-C 3.32Å; R272-P311 PolarHBondContact NH2-O 3.02Å; I307-P311 HydrophobicContact CG2-CB 4.24Å; P311-V313 PolarHBondContact O-N 3Å; P311-V330 HydrophobicContact CB-CG1 3.74Å; P311-V330 HydrophobicContact CG-CG1 4.32Å
312	K	82.2	Confident	88.8	Confident	52 Å²	52	51.9 Å²	51.9	23%	0.226	28%	0.276	C	S	.	.			trans	-91.4	88.4	-178.3	-163.9	172.8	-166.8	159	0	110.6	N310 M323 D326 I378	N310-K312 VanDerWaalsContact C-N 3.34Å; N310-K312 PolarHBondContact OD1-N 3.21Å; N310-K312 PolarHBondContact OD1-O 3.41Å; K312-M323 WeakPolarHBondContact CE-O 3.29Å; K312-M323 PolarHBondContact NZ-O 3.5Å; K312-D326 WeakPolarHBondContact CD-OD1 3.36Å; K312-D326 WeakPolarHBondContact CE-OD1 3.48Å; K312-D326 IonicContact NZ-OD1 2.88Å; K312-D326 PolarHBondContact NZ-OD1 2.94Å; K312-D326 IonicContact NZ-OD2 2.72Å; K312-D326 PolarHBondContact NZ-OD2 3.49Å; K312-I378 HydrophobicContact CD-CD1 4.36Å
313	V	90.4	Very high	89.3	Confident	16 Å²	16	47 Å²	47	10%	0.097	25%	0.25	C	S	.	.			trans	-133.2	173.1	179.4	-56.4	0	0	0	0	110.4	R272 L294 N310 P311 M319 M323	R272-V313 VanDerWaalsContact NH2-CG2 3.25Å; L294-V313 HydrophobicContact CB-CG2 4.19Å; L294-V313 HydrophobicContact CD1-CB 4.21Å; L294-V313 HydrophobicContact CD1-CG2 4.12Å; L294-V313 HydrophobicContact CD2-CB 4.18Å; L294-V313 HydrophobicContact CD2-CG2 4.11Å; L294-V313 HydrophobicContact CG-CG2 4.37Å; N310-V313 WeakPolarHBondContact O-CG1 3.42Å; P311-V313 PolarHBondContact O-N 3Å; V313-M319 WeakPolarHBondContact O-CE 3.44Å; V313-M323 WeakPolarHBondContact O-CE 3.39Å
314	G	92.6	Very high	89.7	Confident	14 Å²	14	41.4 Å²	41.4	14%	0.144	22%	0.22	C	C	.	.	S	Bend	trans	101.7	179.2	-178.5	0	0	0	0	0	112.7	D273 M319	D273-G314 WeakPolarHBondContact OD1-CA 3.29Å; G314-M319 WeakPolarHBondContact O-CE 3.4Å
315	T	96.1	Very high	89.9	Confident	45 Å²	45	41.1 Å²	41.1	28%	0.276	22%	0.216	S	C	.	.			trans	-84	116.3	-175.7	-55.5	0	0	0	0	110.2	D273 K275 R317 Y318 M319	D273-T315 VanDerWaalsContact OD1-CB 3.31Å; D273-T315 WeakPolarHBondContact OD1-CB 3.48Å; D273-T315 PolarHBondContact OD1-N 3.04Å; D273-T315 PolarHBondContact OD1-OG1 2.93Å; K275-T315 HydrophobicContact CD-CG2 4.19Å; K275-T315 WeakPolarHBondContact CD-OG1 3.41Å; K275-T315 WeakPolarHBondContact CE-OG1 3.16Å; K275-T315 PolarHBondContact NZ-OG1 3.27Å; T315-R317 VanDerWaalsContact C-N 3.26Å; T315-R317 PolarHBondContact O-N 2.99Å; T315-R317 VanDerWaalsContact O-N 3.11Å; T315-Y318 HydrophobicContact CG2-CD2 3.9Å; T315-Y318 HydrophobicContact CG2-CE2 4.46Å; T315-Y318 PolarHBondContact O-N 2.83Å; T315-M319 PolarHBondContact O-N 3.25Å
316	K	97.3	Very high	90	Very high	68 Å²	68	45.2 Å²	45.2	30%	0.296	24%	0.238	S	C	.	.	G	3₁₀ helix	trans	-49.4	-42.9	-172.1	-54.2	159.7	-163.3	147.2	0	113.4	Y318 M319 D375 P376 I378 M381	K316-Y318 PolarHBondContact O-N 3.11Å; K316-M319 HydrophobicContact CG-CE 4.44Å; K316-M319 WeakPolarHBondContact O-CB 3.45Å; K316-M319 PolarHBondContact O-N 3.04Å; K316-M319 VanDerWaalsContact O-N 3.17Å; K316-D375 IonicContact NZ-OD1 3.69Å; K316-D375 PolarHBondContact NZ-OD1 3.21Å; K316-D375 IonicContact NZ-OD2 3.45Å; K316-P376 WeakPolarHBondContact CD-O 3.41Å; K316-I378 HydrophobicContact CD-CG1 4.35Å; K316-I378 HydrophobicContact CG-CG1 4.03Å; K316-M381 HydrophobicContact CB-CG 4.47Å
317	R	98.4	Very high	90.3	Very high	11 Å²	11	47.3 Å²	47.3	4%	0.042	25%	0.253	C	S	.	.	G	3₁₀ helix	trans	-57	-29.8	177.7	-176.3	-178.3	-67.5	-75.4	-3.1	114	T315 P367 Y368 P373 S374 P376 M381	T315-R317 VanDerWaalsContact C-N 3.26Å; T315-R317 PolarHBondContact O-N 2.99Å; T315-R317 VanDerWaalsContact O-N 3.11Å; R317-P367 VanDerWaalsContact CD-O 3.24Å; R317-P367 WeakPolarHBondContact CD-O 3.46Å; R317-P367 HydrophobicContact CG-CG 4.27Å; R317-P367 WeakPolarHBondContact CG-O 3.38Å; R317-P367 PolarHBondContact NH1-O 3.08Å; R317-Y368 HydrophobicContact CG-CD2 4.49Å; R317-Y368 PolarHBondContact NH1-O 2.75Å; R317-P373 PolarHBondContact NH2-O 3.3Å; R317-S374 PolarHBondContact NH2-O 3.46Å; R317-P376 HydrophobicContact CB-CG 4.16Å; R317-M381 WeakPolarHBondContact O-CE 3.33Å
318	Y	98.6	Very high	91	Very high	10 Å²	10	46 Å²	46	4%	0.039	25%	0.246	C	C	.	.	G	3₁₀ helix	trans	-104.1	2.8	-176.6	-66.9	-97.4	0	0	0	113.2	K275 S276 T315 K316 S343 L346 V347 E350 L366 P367	K275-Y318 HydrophobicContact CB-CD1 4.04Å; K275-Y318 HydrophobicContact CB-CD2 3.79Å; K275-Y318 HydrophobicContact CB-CE1 3.96Å; K275-Y318 HydrophobicContact CB-CE2 3.71Å; K275-Y318 HydrophobicContact CB-CG 3.96Å; S276-Y318 PolarHBondContact OG-OH 3.39Å; T315-Y318 HydrophobicContact CG2-CD2 3.9Å; T315-Y318 HydrophobicContact CG2-CE2 4.46Å; T315-Y318 PolarHBondContact O-N 2.83Å; K316-Y318 PolarHBondContact O-N 3.11Å; Y318-S343 PolarHBondContact O-OG 3.03Å; Y318-L346 HydrophobicContact CD1-CB 3.99Å; Y318-L346 HydrophobicContact CD1-CD1 3.93Å; Y318-L346 HydrophobicContact CE1-CB 4.12Å; Y318-L346 HydrophobicContact CG-CD1 4.37Å; Y318-V347 HydrophobicContact CE1-CG2 4.15Å; Y318-E350 VanDerWaalsContact CE1-OE1 3.29Å; Y318-E350 WeakPolarHBondContact CE1-OE1 3.43Å; Y318-E350 VanDerWaalsContact OH-CD 3.3Å; Y318-E350 PolarHBondContact OH-OE1 2.8Å; Y318-E350 PolarHBondContact OH-OE2 2.98Å; Y318-L366 WeakPolarHBondContact OH-CD2 3.16Å; Y318-P367 HydrophobicContact CD1-CG 4.34Å; Y318-P367 HydrophobicContact CE1-CG 3.69Å; Y318-P367 HydrophobicContact CE2-CG 4.35Å; Y318-P367 WeakPolarHBondContact OH-CD 3.45Å
319	M	98.3	Very high	91.7	Very high	9 Å²	9	46.8 Å²	46.8	4%	0.044	25%	0.247	C	C	.	.			trans	-68.1	136.6	180	-72.8	-175.4	177.6	0	0	111.2	V313 G314 T315 K316 M323 L324 Y342	V313-M319 WeakPolarHBondContact O-CE 3.44Å; G314-M319 WeakPolarHBondContact O-CE 3.4Å; T315-M319 PolarHBondContact O-N 3.25Å; K316-M319 HydrophobicContact CG-CE 4.44Å; K316-M319 WeakPolarHBondContact O-CB 3.45Å; K316-M319 PolarHBondContact O-N 3.04Å; K316-M319 VanDerWaalsContact O-N 3.17Å; M319-M323 HydrophobicContact CB-CB 4.22Å; M319-M323 HydrophobicContact CG-CE 4.27Å; M319-L324 HydrophobicContact CB-CD2 3.76Å; M319-L324 HydrophobicContact CB-CG 3.87Å; M319-L324 HydrophobicContact SD-CD2 4.14Å; M319-Y342 WeakPolarHBondContact O-CE1 3.27Å
320	A	98.1	Very high	92.7	Very high	0 Å²	0	39.5 Å²	39.5	0%	0	22%	0.216	C	C	.	.			trans	-68	155.5	174.4	0	0	0	0	0	111.4	E322 M323 L324 A339 Y342	A320-E322 VanDerWaalsContact C-N 3.28Å; A320-E322 WeakPolarHBondContact CB-OE2 3.39Å; A320-E322 PolarHBondContact O-N 3.11Å; A320-M323 HydrophobicContact CB-CG 4.44Å; A320-M323 WeakPolarHBondContact O-CB 3.49Å; A320-M323 PolarHBondContact O-N 2.7Å; A320-L324 PolarHBondContact O-N 3.46Å; A320-L324 VanDerWaalsContact O-N 3.15Å; A320-A339 HydrophobicContact CB-CB 4.06Å; A320-Y342 VanDerWaalsContact CA-CD1 3.44Å; A320-Y342 HydrophobicContact CB-CD1 3.83Å; A320-Y342 HydrophobicContact CB-CG 3.85Å
321	P	98.1	Very high	93.3	Very high	6 Å²	6	41.3 Å²	41.3	4%	0.039	23%	0.225	C	C	.	.	H	α-helix	trans	-50.1	-45.8	-179.1	-25.9	31.7	0	0	0	113.5	M323 L324 D325 Y342 V385 C386	P321-M323 PolarHBondContact O-N 3.19Å; P321-L324 WeakPolarHBondContact O-CB 3.33Å; P321-L324 PolarHBondContact O-N 3.12Å; P321-D325 PolarHBondContact O-N 3.5Å; P321-D325 VanDerWaalsContact O-OD1 3.14Å; P321-Y342 HydrophobicContact CG-CE2 4.21Å; P321-V385 HydrophobicContact CB-CG1 4.21Å; P321-V385 HydrophobicContact CG-CG1 3.72Å; P321-C386 PolarHBondContact O-SG 3.29Å; P321-C386 VanDerWaalsContact O-SG 3.41Å
322	E	96.9	Very high	94.2	Very high	20 Å²	20	42.7 Å²	42.7	9%	0.093	23%	0.23	C	C	.	.	H	α-helix	trans	-65.1	-22.1	-179.8	67.3	-85.7	-156.6	0	0	113.8	A320 D325 T327 M328 R422	A320-E322 VanDerWaalsContact C-N 3.28Å; A320-E322 WeakPolarHBondContact CB-OE2 3.39Å; A320-E322 PolarHBondContact O-N 3.11Å; E322-D325 VanDerWaalsContact C-OD1 3.32Å; E322-D325 WeakPolarHBondContact CA-OD1 3.09Å; E322-T327 WeakPolarHBondContact CA-OG1 3.39Å; E322-T327 PolarHBondContact O-N 3.2Å; E322-T327 VanDerWaalsContact O-N 3.11Å; E322-M328 HydrophobicContact CB-CB 4.09Å; E322-M328 HydrophobicContact CG-CB 3.86Å; E322-M328 HydrophobicContact CG-CG 3.91Å; E322-M328 HydrophobicContact CG-SD 4.24Å; E322-M328 WeakPolarHBondContact O-CB 3.45Å; E322-M328 PolarHBondContact O-N 3.32Å; E322-R422 IonicContact OE1-CZ 2.95Å; E322-R422 IonicContact OE1-NH1 3.59Å; E322-R422 PolarHBondContact OE1-NH1 3.28Å; E322-R422 IonicContact OE1-NH2 2.66Å; E322-R422 PolarHBondContact OE1-NH2 3.23Å; E322-R422 IonicContact OE2-CZ 3.88Å; E322-R422 IonicContact OE2-NH1 2.7Å; E322-R422 IonicContact OE2-NH2 3.92Å; E322-R422 PolarHBondContact OE2-NH2 2.88Å
323	M	95.8	Very high	94.8	Very high	17 Å²	17	40.9 Å²	40.9	8%	0.084	22%	0.222	C	C	.	.	H	α-helix	trans	-84.2	-30.4	173.5	-64.3	-179.2	67.2	0	0	111.5	K312 V313 M319 A320 P321 M328 A339	K312-M323 WeakPolarHBondContact CE-O 3.29Å; K312-M323 PolarHBondContact NZ-O 3.5Å; V313-M323 WeakPolarHBondContact O-CE 3.39Å; M319-M323 HydrophobicContact CB-CB 4.22Å; M319-M323 HydrophobicContact CG-CE 4.27Å; A320-M323 HydrophobicContact CB-CG 4.44Å; A320-M323 WeakPolarHBondContact O-CB 3.49Å; A320-M323 PolarHBondContact O-N 2.7Å; P321-M323 PolarHBondContact O-N 3.19Å; M323-M328 HydrophobicContact CG-SD 3.65Å; M323-M328 HydrophobicContact SD-SD 4.49Å; M323-A339 HydrophobicContact CG-CB 4.45Å; M323-A339 HydrophobicContact SD-CB 3.81Å
324	L	96.7	Very high	95.1	Very high	2 Å²	2	42.9 Å²	42.9	1%	0.01	23%	0.23	C	C	.	.	H	α-helix	trans	-76.5	-39.5	-178.6	-69.8	170.2	0	0	0	111.5	M319 A320 P321 I378 M381 R382 V385	M319-L324 HydrophobicContact CB-CD2 3.76Å; M319-L324 HydrophobicContact CB-CG 3.87Å; M319-L324 HydrophobicContact SD-CD2 4.14Å; A320-L324 PolarHBondContact O-N 3.46Å; A320-L324 VanDerWaalsContact O-N 3.15Å; P321-L324 WeakPolarHBondContact O-CB 3.33Å; P321-L324 PolarHBondContact O-N 3.12Å; L324-I378 HydrophobicContact CD2-CG2 4.22Å; L324-M381 HydrophobicContact CD1-CB 3.97Å; L324-M381 HydrophobicContact CD2-CB 3.62Å; L324-M381 HydrophobicContact CG-CB 4.46Å; L324-R382 HydrophobicContact CB-CB 4.28Å; L324-R382 HydrophobicContact CB-CG 4.45Å; L324-V385 HydrophobicContact CD1-CB 3.73Å; L324-V385 HydrophobicContact CD1-CG1 3.84Å; L324-V385 HydrophobicContact CD1-CG2 4.13Å
325	D	94.5	Very high	95.3	Very high	63 Å²	63	42.8 Å²	42.8	34%	0.337	23%	0.227	S	C	.	.	T	Hydrogen-bonded Turn	trans	-92	4.6	-179.7	66.8	11.5	0	0	0	114.5	P321 E322 T327	P321-D325 PolarHBondContact O-N 3.5Å; P321-D325 VanDerWaalsContact O-OD1 3.14Å; E322-D325 VanDerWaalsContact C-OD1 3.32Å; E322-D325 WeakPolarHBondContact CA-OD1 3.09Å; D325-T327 HydrophobicContact CB-CG2 4.31Å; D325-T327 VanDerWaalsContact CG-CG2 3.5Å; D325-T327 VanDerWaalsContact CG-OG1 3.28Å; D325-T327 PolarHBondContact O-N 3.45Å; D325-T327 VanDerWaalsContact OD1-CB 3.26Å; D325-T327 WeakPolarHBondContact OD1-CB 3.39Å; D325-T327 VanDerWaalsContact OD1-CG2 3.28Å; D325-T327 WeakPolarHBondContact OD1-CG2 3.47Å; D325-T327 PolarHBondContact OD1-N 3.49Å; D325-T327 PolarHBondContact OD1-OG1 3.21Å; D325-T327 PolarHBondContact OD2-OG1 3.4Å
326	D	92.7	Very high	95.3	Very high	114 Å²	114	40.8 Å²	40.8	61%	0.61	22%	0.215	S	C	*	.	T	Hydrogen-bonded Turn	trans	58.8	26.2	-179.1	-65.7	-45.1	0	0	0	114.6	K312	K312-D326 WeakPolarHBondContact CD-OD1 3.36Å; K312-D326 WeakPolarHBondContact CE-OD1 3.48Å; K312-D326 IonicContact NZ-OD1 2.88Å; K312-D326 PolarHBondContact NZ-OD1 2.94Å; K312-D326 IonicContact NZ-OD2 2.72Å; K312-D326 PolarHBondContact NZ-OD2 3.49Å
327	T	94.3	Very high	95.4	Very high	94 Å²	94	39.4 Å²	39.4	58%	0.577	21%	0.209	S	C	*	.			trans	-91.7	-5.2	176.5	64.9	0	0	0	0	114.1	E322 D325 N329	E322-T327 WeakPolarHBondContact CA-OG1 3.39Å; E322-T327 PolarHBondContact O-N 3.2Å; E322-T327 VanDerWaalsContact O-N 3.11Å; D325-T327 HydrophobicContact CB-CG2 4.31Å; D325-T327 VanDerWaalsContact CG-CG2 3.5Å; D325-T327 VanDerWaalsContact CG-OG1 3.28Å; D325-T327 PolarHBondContact O-N 3.45Å; D325-T327 VanDerWaalsContact OD1-CB 3.26Å; D325-T327 WeakPolarHBondContact OD1-CB 3.39Å; D325-T327 VanDerWaalsContact OD1-CG2 3.28Å; D325-T327 WeakPolarHBondContact OD1-CG2 3.47Å; D325-T327 PolarHBondContact OD1-N 3.49Å; D325-T327 PolarHBondContact OD1-OG1 3.21Å; D325-T327 PolarHBondContact OD2-OG1 3.4Å; T327-N329 PolarHBondContact O-N 2.93Å
328	M	93	Very high	95.4	Very high	27 Å²	27	42.6 Å²	42.6	13%	0.133	22%	0.221	C	C	.	.			trans	-64	124.4	-178.1	-168.4	173.6	108.3	0	0	112.1	E322 M323 V330 F336 A339	E322-M328 HydrophobicContact CB-CB 4.09Å; E322-M328 HydrophobicContact CG-CB 3.86Å; E322-M328 HydrophobicContact CG-CG 3.91Å; E322-M328 HydrophobicContact CG-SD 4.24Å; E322-M328 WeakPolarHBondContact O-CB 3.45Å; E322-M328 PolarHBondContact O-N 3.32Å; M323-M328 HydrophobicContact CG-SD 3.65Å; M323-M328 HydrophobicContact SD-SD 4.49Å; M328-V330 HydrophobicContact CE-CG1 4.23Å; M328-V330 PolarHBondContact O-N 3.5Å; M328-V330 VanDerWaalsContact O-N 3.09Å; M328-F336 HydrophobicContact CE-CD1 3.34Å; M328-F336 HydrophobicContact CE-CD2 4.34Å; M328-F336 HydrophobicContact CE-CE1 3.21Å; M328-F336 HydrophobicContact CE-CE2 4.23Å; M328-F336 HydrophobicContact CE-CG 3.93Å; M328-F336 HydrophobicContact CE-CZ 3.69Å; M328-A339 HydrophobicContact SD-CB 4.49Å
329	N	91.4	Very high	95.4	Very high	73 Å²	73	42.3 Å²	42.3	39%	0.39	22%	0.22	S	C	.	.			trans	-77.1	99.4	171.9	-171.3	-20.5	0	0	0	110.5	T327 N331 I332 S335	T327-N329 PolarHBondContact O-N 2.93Å; N329-N331 PolarHBondContact O-N 2.78Å; N329-N331 WeakPolarHBondContact OD1-CB 3.44Å; N329-N331 PolarHBondContact OD1-N 3.15Å; N329-I332 HydrophobicContact CB-CD1 4.22Å; N329-I332 HydrophobicContact CB-CG1 4.45Å; N329-I332 VanDerWaalsContact ND2-CD1 3.34Å; N329-I332 WeakPolarHBondContact ND2-CD1 3.3Å; N329-I332 PolarHBondContact O-N 2.72Å; N329-S335 VanDerWaalsContact O-CB 3.29Å; N329-S335 WeakPolarHBondContact O-CB 2.9Å; N329-S335 PolarHBondContact O-OG 3.2Å
330	V	90.9	Very high	95.4	Very high	45 Å²	45	41.9 Å²	41.9	27%	0.273	22%	0.218	S	C	.	.	T	Hydrogen-bonded Turn	trans	-68.7	-17.2	-179.8	-61.4	0	0	0	0	113.7	I305 I307 P311 M328 I332 F336	I305-V330 WeakPolarHBondContact CD1-O 3.38Å; I307-V330 HydrophobicContact CD1-CB 4.21Å; I307-V330 WeakPolarHBondContact CD1-O 3.29Å; P311-V330 HydrophobicContact CB-CG1 3.74Å; P311-V330 HydrophobicContact CG-CG1 4.32Å; M328-V330 HydrophobicContact CE-CG1 4.23Å; M328-V330 PolarHBondContact O-N 3.5Å; M328-V330 VanDerWaalsContact O-N 3.09Å; V330-I332 VanDerWaalsContact C-N 3.26Å; V330-I332 PolarHBondContact O-N 3.21Å; V330-F336 HydrophobicContact CB-CZ 4.19Å; V330-F336 HydrophobicContact CG1-CZ 4.41Å; V330-F336 WeakPolarHBondContact O-CE2 3.32Å
331	N	89.4	Confident	95.4	Very high	131 Å²	131	42.1 Å²	42.1	70%	0.701	22%	0.219	S	C	*	.	T	Hydrogen-bonded Turn	trans	-81	-9.3	178	-59.7	-35	0	0	0	112.5	N329	N329-N331 PolarHBondContact O-N 2.78Å; N329-N331 WeakPolarHBondContact OD1-CB 3.44Å; N329-N331 PolarHBondContact OD1-N 3.15Å
332	I	92.6	Very high	95.5	Very high	80 Å²	80	41.8 Å²	41.8	41%	0.41	22%	0.218	S	C	.	.			trans	-107.6	114.4	179	-60.6	175.4	0	0	0	108.5	N329 V330 E334 S335	N329-I332 HydrophobicContact CB-CD1 4.22Å; N329-I332 HydrophobicContact CB-CG1 4.45Å; N329-I332 VanDerWaalsContact ND2-CD1 3.34Å; N329-I332 WeakPolarHBondContact ND2-CD1 3.3Å; N329-I332 PolarHBondContact O-N 2.72Å; V330-I332 VanDerWaalsContact C-N 3.26Å; V330-I332 PolarHBondContact O-N 3.21Å; I332-E334 HydrophobicContact CG2-CB 4.03Å; I332-E334 PolarHBondContact O-N 2.85Å; I332-S335 WeakPolarHBondContact O-CB 3.13Å; I332-S335 PolarHBondContact O-N 3.47Å; I332-S335 PolarHBondContact O-OG 3.05Å
333	F	95.1	Very high	95.6	Very high	13 Å²	13	41.2 Å²	41.2	6%	0.057	22%	0.216	C	C	.	.	H	α-helix	trans	-60.1	-36.1	-177.5	-176.4	-105.7	0	0	0	112.8	A268 A270 V296 H298 I305 S335 F336 K337	A268-F333 VanDerWaalsContact C-CZ 3.47Å; A268-F333 HydrophobicContact CB-CD1 4.31Å; A268-F333 HydrophobicContact CB-CE1 3.48Å; A268-F333 VanDerWaalsContact CB-CE1 3.48Å; A268-F333 HydrophobicContact CB-CZ 3.98Å; A268-F333 VanDerWaalsContact O-CZ 3.25Å; A268-F333 WeakPolarHBondContact O-CZ 3.36Å; A270-F333 HydrophobicContact CB-CE2 4.12Å; A270-F333 HydrophobicContact CB-CZ 3.98Å; V296-F333 HydrophobicContact CG2-CE2 4.01Å; H298-F333 HydrophobicContact CB-CB 4.24Å; H298-F333 HydrophobicContact CB-CD1 3.73Å; H298-F333 HydrophobicContact CB-CD2 3.63Å; H298-F333 HydrophobicContact CB-CE1 3.9Å; H298-F333 HydrophobicContact CB-CE2 3.78Å; H298-F333 HydrophobicContact CB-CG 3.59Å; H298-F333 HydrophobicContact CB-CZ 3.92Å; H298-F333 AromaticContact CG-CG 3.79Å; I305-F333 HydrophobicContact CD1-CB 3.81Å; I305-F333 HydrophobicContact CD1-CD2 4.35Å; I305-F333 HydrophobicContact CG1-CB 4.05Å; I305-F333 HydrophobicContact CG1-CD2 4.16Å; I305-F333 HydrophobicContact CG2-CD2 4.05Å; F333-S335 PolarHBondContact O-N 2.81Å; F333-S335 VanDerWaalsContact O-N 3.15Å; F333-F336 HydrophobicContact CD2-CD2 4.49Å; F333-F336 WeakPolarHBondContact O-CB 3.45Å; F333-F336 PolarHBondContact O-N 2.93Å; F333-K337 HydrophobicContact CD1-CD 3.87Å; F333-K337 HydrophobicContact CD1-CG 4.29Å; F333-K337 HydrophobicContact CE1-CD 3.58Å; F333-K337 HydrophobicContact CE1-CG 3.87Å; F333-K337 PolarHBondContact O-N 3.41Å
334	E	96.6	Very high	95.7	Very high	58 Å²	58	40.5 Å²	40.5	27%	0.271	21%	0.212	S	C	.	.	H	α-helix	trans	-60.8	-24.8	178.2	-164	59.9	-146.1	0	0	112.6	I332 F336 K337 R338	I332-E334 HydrophobicContact CG2-CB 4.03Å; I332-E334 PolarHBondContact O-N 2.85Å; E334-F336 VanDerWaalsContact C-N 3.32Å; E334-F336 PolarHBondContact O-N 3.17Å; E334-K337 PolarHBondContact O-N 2.84Å; E334-K337 WeakPolarHBondContact OE1-CE 3.19Å; E334-K337 IonicContact OE1-NZ 2.74Å; E334-K337 WeakPolarHBondContact OE2-CD 3.39Å; E334-K337 WeakPolarHBondContact OE2-CE 3.24Å; E334-K337 IonicContact OE2-NZ 2.86Å; E334-K337 PolarHBondContact OE2-NZ 3.31Å; E334-R338 HydrophobicContact CG-CG 4.37Å; E334-R338 WeakPolarHBondContact O-CB 3.39Å; E334-R338 VanDerWaalsContact O-CD 3.31Å; E334-R338 WeakPolarHBondContact O-CD 3.4Å; E334-R338 WeakPolarHBondContact O-CG 3.35Å; E334-R338 PolarHBondContact O-N 3.44Å
335	S	96.3	Very high	95.8	Very high	13 Å²	13	40.4 Å²	40.4	9%	0.091	21%	0.212	C	C	.	.	H	α-helix	trans	-59.5	-43.1	172.6	-56.8	0	0	0	0	111.5	N329 I332 F333 R338 A339	N329-S335 VanDerWaalsContact O-CB 3.29Å; N329-S335 WeakPolarHBondContact O-CB 2.9Å; N329-S335 PolarHBondContact O-OG 3.2Å; I332-S335 WeakPolarHBondContact O-CB 3.13Å; I332-S335 PolarHBondContact O-N 3.47Å; I332-S335 PolarHBondContact O-OG 3.05Å; F333-S335 PolarHBondContact O-N 2.81Å; F333-S335 VanDerWaalsContact O-N 3.15Å; S335-R338 PolarHBondContact O-N 3.36Å; S335-A339 PolarHBondContact O-N 2.71Å
336	F	97.1	Very high	96	Very high	2 Å²	2	37.4 Å²	37.4	1%	0.009	20%	0.196	C	C	.	.	H	α-helix	trans	-67.3	-41.2	178.1	-62.3	-82.6	0	0	0	111.8	A270 R272 V296 I305 I307 M328 V330 F333 E334 R338 A339 D340	A270-F336 HydrophobicContact CB-CB 3.44Å; A270-F336 VanDerWaalsContact CB-CB 3.44Å; R272-F336 HydrophobicContact CG-CD1 3.86Å; V296-F336 HydrophobicContact CG2-CB 4.36Å; V296-F336 HydrophobicContact CG2-CD1 4.22Å; V296-F336 HydrophobicContact CG2-CD2 4.26Å; V296-F336 HydrophobicContact CG2-CG 4.04Å; I305-F336 HydrophobicContact CD1-CD2 4.47Å; I305-F336 HydrophobicContact CD1-CE2 4.02Å; I305-F336 HydrophobicContact CG2-CE2 4.32Å; I307-F336 HydrophobicContact CD1-CE2 4.21Å; I307-F336 HydrophobicContact CD1-CZ 4.03Å; I307-F336 HydrophobicContact CG1-CZ 4.31Å; M328-F336 HydrophobicContact CE-CD1 3.34Å; M328-F336 HydrophobicContact CE-CD2 4.34Å; M328-F336 HydrophobicContact CE-CE1 3.21Å; M328-F336 HydrophobicContact CE-CE2 4.23Å; M328-F336 HydrophobicContact CE-CG 3.93Å; M328-F336 HydrophobicContact CE-CZ 3.69Å; V330-F336 HydrophobicContact CB-CZ 4.19Å; V330-F336 HydrophobicContact CG1-CZ 4.41Å; V330-F336 WeakPolarHBondContact O-CE2 3.32Å; F333-F336 HydrophobicContact CD2-CD2 4.49Å; F333-F336 WeakPolarHBondContact O-CB 3.45Å; F333-F336 PolarHBondContact O-N 2.93Å; E334-F336 VanDerWaalsContact C-N 3.32Å; E334-F336 PolarHBondContact O-N 3.17Å; F336-R338 VanDerWaalsContact C-N 3.34Å; F336-R338 PolarHBondContact O-N 3.35Å; F336-A339 WeakPolarHBondContact O-CB 3.16Å; F336-A339 PolarHBondContact O-N 3.36Å; F336-D340 PolarHBondContact O-N 2.86Å
337	K	98.3	Very high	96.3	Very high	39 Å²	39	32 Å²	32	17%	0.17	17%	0.167	C	C	.	.	H	α-helix	trans	-60.6	-44.2	175	-72.4	173.7	50.4	-172.3	0	111.5	H257 A270 F333 E334 A339 D340 I341	H257-K337 HydrophobicContact CB-CD 4.33Å; H257-K337 HydrophobicContact CB-CG 4.47Å; H257-K337 PolarHBondContact CE1-O 2.91Å; A270-K337 HydrophobicContact CB-CG 4.38Å; F333-K337 HydrophobicContact CD1-CD 3.87Å; F333-K337 HydrophobicContact CD1-CG 4.29Å; F333-K337 HydrophobicContact CE1-CD 3.58Å; F333-K337 HydrophobicContact CE1-CG 3.87Å; F333-K337 PolarHBondContact O-N 3.41Å; E334-K337 PolarHBondContact O-N 2.84Å; E334-K337 WeakPolarHBondContact OE1-CE 3.19Å; E334-K337 IonicContact OE1-NZ 2.74Å; E334-K337 WeakPolarHBondContact OE2-CD 3.39Å; E334-K337 WeakPolarHBondContact OE2-CE 3.24Å; E334-K337 IonicContact OE2-NZ 2.86Å; E334-K337 PolarHBondContact OE2-NZ 3.31Å; K337-A339 VanDerWaalsContact C-N 3.3Å; K337-A339 PolarHBondContact O-N 3.29Å; K337-D340 WeakPolarHBondContact O-CB 3.18Å; K337-D340 PolarHBondContact O-N 3.34Å; K337-I341 WeakPolarHBondContact O-CG1 3.39Å; K337-I341 PolarHBondContact O-N 2.96Å; K337-I341 VanDerWaalsContact O-N 3.16Å
338	R	98.6	Very high	96.5	Very high	78 Å²	78	27.5 Å²	27.5	29%	0.294	14%	0.139	S	C	.	.	H	α-helix	trans	-63.7	-36.3	177.4	-69.3	161.8	175.7	174.1	4.2	111.9	E334 S335 F336 I341 Y342 G419 R422	E334-R338 HydrophobicContact CG-CG 4.37Å; E334-R338 WeakPolarHBondContact O-CB 3.39Å; E334-R338 VanDerWaalsContact O-CD 3.31Å; E334-R338 WeakPolarHBondContact O-CD 3.4Å; E334-R338 WeakPolarHBondContact O-CG 3.35Å; E334-R338 PolarHBondContact O-N 3.44Å; S335-R338 PolarHBondContact O-N 3.36Å; F336-R338 VanDerWaalsContact C-N 3.34Å; F336-R338 PolarHBondContact O-N 3.35Å; R338-I341 PolarHBondContact O-N 2.99Å; R338-Y342 PolarHBondContact O-N 2.81Å; R338-G419 VanDerWaalsContact CD-C 3.45Å; R338-G419 WeakPolarHBondContact CD-O 3.34Å; R338-G419 VanDerWaalsContact CG-O 3.26Å; R338-G419 WeakPolarHBondContact CG-O 3.22Å; R338-R422 VanDerWaalsContact C-NH1 3.3Å; R338-R422 WeakPolarHBondContact O-CD 3.48Å; R338-R422 PolarHBondContact O-NH1 3.01Å
339	A	98.3	Very high	96.8	Very high	4 Å²	4	26.3 Å²	26.3	3%	0.033	13%	0.133	C	C	.	.	H	α-helix	trans	-64.4	-43.8	173.9	0	0	0	0	0	111.9	A320 M323 M328 S335 F336 K337 I341 Y342 S343	A320-A339 HydrophobicContact CB-CB 4.06Å; M323-A339 HydrophobicContact CG-CB 4.45Å; M323-A339 HydrophobicContact SD-CB 3.81Å; M328-A339 HydrophobicContact SD-CB 4.49Å; S335-A339 PolarHBondContact O-N 2.71Å; F336-A339 WeakPolarHBondContact O-CB 3.16Å; F336-A339 PolarHBondContact O-N 3.36Å; K337-A339 VanDerWaalsContact C-N 3.3Å; K337-A339 PolarHBondContact O-N 3.29Å; A339-I341 VanDerWaalsContact C-N 3.26Å; A339-I341 PolarHBondContact O-N 2.94Å; A339-Y342 WeakPolarHBondContact O-CB 3.38Å; A339-Y342 PolarHBondContact O-N 3.28Å; A339-Y342 VanDerWaalsContact O-N 3.14Å; A339-S343 PolarHBondContact O-N 3.29Å; A339-S343 PolarHBondContact O-OG 3.25Å
340	D	98.7	Very high	97.1	Very high	1 Å²	1	22.8 Å²	22.8	1%	0.005	12%	0.115	C	C	.	.	H	α-helix	trans	-57.8	-39.1	174.7	-73.5	-20.5	0	0	0	112.2	L253 H257 A270 H271 R272 I274 F336 K337 Y342 S343 V344	L253-D340 HydrophobicContact CD1-CB 4.25Å; L253-D340 HydrophobicContact CD2-CB 4.25Å; H257-D340 IonicContact CD2-OD2 3.5Å; H257-D340 IonicContact CE1-OD2 2.73Å; H257-D340 IonicContact NE2-OD2 3.23Å; H257-D340 PolarHBondContact NE2-OD2 3.29Å; A270-D340 WeakPolarHBondContact CA-OD2 3.43Å; H271-D340 PolarHBondContact N-OD1 3.27Å; H271-D340 PolarHBondContact N-OD2 2.71Å; R272-D340 PolarHBondContact N-OD1 3.32Å; I274-D340 HydrophobicContact CG1-CB 4.33Å; F336-D340 PolarHBondContact O-N 2.86Å; K337-D340 WeakPolarHBondContact O-CB 3.18Å; K337-D340 PolarHBondContact O-N 3.34Å; D340-Y342 VanDerWaalsContact C-N 3.32Å; D340-Y342 PolarHBondContact O-N 2.76Å; D340-S343 WeakPolarHBondContact O-CB 3.4Å; D340-S343 PolarHBondContact O-N 3.16Å; D340-V344 PolarHBondContact O-N 2.79Å
341	I	98.9	Very high	97.5	Very high	4 Å²	4	20.7 Å²	20.7	2%	0.021	10%	0.102	C	C	.	.	H	α-helix	trans	-63.4	-39.7	178.6	-63.9	-65.6	0	0	0	111.6	L253 K337 R338 A339 S343 V344 G345 C414 R422 L423 A425 I428	L253-I341 HydrophobicContact CD2-CD1 4.03Å; K337-I341 WeakPolarHBondContact O-CG1 3.39Å; K337-I341 PolarHBondContact O-N 2.96Å; K337-I341 VanDerWaalsContact O-N 3.16Å; R338-I341 PolarHBondContact O-N 2.99Å; A339-I341 VanDerWaalsContact C-N 3.26Å; A339-I341 PolarHBondContact O-N 2.94Å; I341-S343 VanDerWaalsContact C-N 3.34Å; I341-V344 PolarHBondContact O-N 3.03Å; I341-G345 PolarHBondContact O-N 3.14Å; I341-C414 HydrophobicContact CG2-CB 4.04Å; I341-C414 WeakPolarHBondContact O-CB 3.28Å; I341-R422 HydrophobicContact CG2-CB 4.03Å; I341-L423 WeakPolarHBondContact CG1-O 3.06Å; I341-L423 VanDerWaalsContact CG2-O 3.29Å; I341-L423 WeakPolarHBondContact CG2-O 3.33Å; I341-A425 HydrophobicContact CD1-CB 3.89Å; I341-A425 VanDerWaalsContact CD1-N 3.31Å; I341-I428 HydrophobicContact CD1-CD1 4.07Å; I341-I428 HydrophobicContact CG2-CD1 4.27Å
342	Y	98.9	Very high	97.9	Very high	0 Å²	0	14.4 Å²	14.4	0%	0	7%	0.068	C	C	.	.	H	α-helix	trans	-60	-47.9	175	172.8	-87.7	0	0	0	110.7	M319 A320 P321 R338 A339 D340 V344 G345 L346 Y368 V385 C414 W415	M319-Y342 WeakPolarHBondContact O-CE1 3.27Å; A320-Y342 VanDerWaalsContact CA-CD1 3.44Å; A320-Y342 HydrophobicContact CB-CD1 3.83Å; A320-Y342 HydrophobicContact CB-CG 3.85Å; P321-Y342 HydrophobicContact CG-CE2 4.21Å; R338-Y342 PolarHBondContact O-N 2.81Å; A339-Y342 WeakPolarHBondContact O-CB 3.38Å; A339-Y342 PolarHBondContact O-N 3.28Å; A339-Y342 VanDerWaalsContact O-N 3.14Å; D340-Y342 VanDerWaalsContact C-N 3.32Å; D340-Y342 PolarHBondContact O-N 2.76Å; Y342-V344 PolarHBondContact O-N 3.14Å; Y342-G345 PolarHBondContact O-N 3.38Å; Y342-G345 VanDerWaalsContact O-N 3.16Å; Y342-L346 HydrophobicContact CD1-CD1 4.23Å; Y342-L346 HydrophobicContact CE1-CD1 3.65Å; Y342-L346 HydrophobicContact CE1-CG 4.29Å; Y342-L346 PolarHBondContact O-N 3.17Å; Y342-Y368 PolarHBondContact OH-OH 3.34Å; Y342-V385 WeakPolarHBondContact OH-CG1 3.47Å; Y342-C414 WeakPolarHBondContact CA-O 3.26Å; Y342-W415 AromaticContact CD2-CD1 3.95Å; Y342-W415 HydrophobicContact CE2-CB 4.45Å; Y342-W415 HydrophobicContact CE2-CG 4.46Å
343	S	98.8	Very high	98.1	Very high	8 Å²	8	11.6 Å²	11.6	6%	0.056	5%	0.052	C	C	.	.	H	α-helix	trans	-61.1	-41.5	177.5	-53.9	0	0	0	0	112.3	I274 Y318 A339 D340 I341 G345 L346 V347	I274-S343 WeakPolarHBondContact O-CB 3.31Å; Y318-S343 PolarHBondContact O-OG 3.03Å; A339-S343 PolarHBondContact O-N 3.29Å; A339-S343 PolarHBondContact O-OG 3.25Å; D340-S343 WeakPolarHBondContact O-CB 3.4Å; D340-S343 PolarHBondContact O-N 3.16Å; I341-S343 VanDerWaalsContact C-N 3.34Å; S343-G345 VanDerWaalsContact C-N 3.32Å; S343-G345 PolarHBondContact O-N 3.48Å; S343-L346 WeakPolarHBondContact O-CB 3.41Å; S343-L346 PolarHBondContact O-N 3.25Å; S343-L346 VanDerWaalsContact O-N 3.15Å; S343-V347 PolarHBondContact O-N 2.67Å; S343-V347 VanDerWaalsContact O-N 3.13Å
344	V	98.8	Very high	98.3	Very high	2 Å²	2	12 Å²	12	1%	0.012	5%	0.054	C	C	.	.	H	α-helix	trans	-60.6	-40.3	174.1	165.2	0	0	0	0	111.9	I249 L253 I274 D340 I341 Y342 L346 V347 Y348	I249-V344 HydrophobicContact CG2-CG2 4.36Å; L253-V344 HydrophobicContact CD2-CB 4.45Å; L253-V344 HydrophobicContact CD2-CG2 3.44Å; L253-V344 VanDerWaalsContact CD2-CG2 3.44Å; I274-V344 HydrophobicContact CG2-CG2 3.75Å; D340-V344 PolarHBondContact O-N 2.79Å; I341-V344 PolarHBondContact O-N 3.03Å; Y342-V344 PolarHBondContact O-N 3.14Å; V344-L346 PolarHBondContact O-N 3.27Å; V344-V347 PolarHBondContact O-N 2.86Å; V344-V347 VanDerWaalsContact O-N 3.1Å; V344-Y348 HydrophobicContact CG1-CD1 4.22Å; V344-Y348 HydrophobicContact CG1-CD2 3.92Å; V344-Y348 HydrophobicContact CG1-CE1 3.82Å; V344-Y348 HydrophobicContact CG1-CE2 3.47Å; V344-Y348 VanDerWaalsContact CG1-CE2 3.47Å; V344-Y348 HydrophobicContact CG1-CG 4.28Å; V344-Y348 VanDerWaalsContact CG1-CZ 3.42Å; V344-Y348 PolarHBondContact O-N 2.83Å
345	G	98.8	Very high	98.3	Very high	0 Å²	0	9.5 Å²	9.5	0%	0	4%	0.042	C	C	.	.	H	α-helix	trans	-56.2	-39.5	175.5	0	0	0	0	0	112.2	I341 Y342 S343 Y348 W349 W415	I341-G345 PolarHBondContact O-N 3.14Å; Y342-G345 PolarHBondContact O-N 3.38Å; Y342-G345 VanDerWaalsContact O-N 3.16Å; S343-G345 VanDerWaalsContact C-N 3.32Å; S343-G345 PolarHBondContact O-N 3.48Å; G345-Y348 PolarHBondContact O-N 3.16Å; G345-W349 PolarHBondContact O-N 2.85Å; G345-W415 VanDerWaalsContact O-CZ2 3.27Å; G345-W415 WeakPolarHBondContact O-CZ2 3.29Å
346	L	98.9	Very high	98.1	Very high	0 Å²	0	10.8 Å²	10.8	0%	0	5%	0.051	C	C	.	.	H	α-helix	trans	-66.9	-41.8	175.8	-60.6	175	0	0	0	112	Y318 Y342 S343 V344 Y348 W349 E350 P367 Y368 P392 W415	Y318-L346 HydrophobicContact CD1-CB 3.99Å; Y318-L346 HydrophobicContact CD1-CD1 3.93Å; Y318-L346 HydrophobicContact CE1-CB 4.12Å; Y318-L346 HydrophobicContact CG-CD1 4.37Å; Y342-L346 HydrophobicContact CD1-CD1 4.23Å; Y342-L346 HydrophobicContact CE1-CD1 3.65Å; Y342-L346 HydrophobicContact CE1-CG 4.29Å; Y342-L346 PolarHBondContact O-N 3.17Å; S343-L346 WeakPolarHBondContact O-CB 3.41Å; S343-L346 PolarHBondContact O-N 3.25Å; S343-L346 VanDerWaalsContact O-N 3.15Å; V344-L346 PolarHBondContact O-N 3.27Å; L346-Y348 VanDerWaalsContact C-N 3.32Å; L346-Y348 PolarHBondContact O-N 2.78Å; L346-W349 WeakPolarHBondContact O-CB 3.48Å; L346-W349 PolarHBondContact O-N 2.83Å; L346-E350 PolarHBondContact O-N 3.41Å; L346-P367 HydrophobicContact CB-CB 4.1Å; L346-P367 HydrophobicContact CB-CG 4.07Å; L346-P367 HydrophobicContact CD1-CG 4.5Å; L346-P367 HydrophobicContact CD2-CB 3.96Å; L346-P367 HydrophobicContact CG-CB 4.42Å; L346-Y368 HydrophobicContact CD1-CE2 4.04Å; L346-Y368 HydrophobicContact CD2-CE2 3.7Å; L346-P392 HydrophobicContact CD2-CG 3.71Å; L346-W415 HydrophobicContact CD2-CZ2 3.89Å; L346-W415 VanDerWaalsContact N-NE1 3.17Å
347	V	98.9	Very high	97.7	Very high	0 Å²	0	12.6 Å²	12.6	0%	0	6%	0.063	C	C	.	.	H	α-helix	trans	-62.4	-39.9	175.3	174.3	0	0	0	0	111.3	L228 I249 I274 I279 Y318 S343 V344 W349 E350 I351	L228-V347 HydrophobicContact CD2-CG1 3.55Å; I249-V347 HydrophobicContact CD1-CG1 4.12Å; I274-V347 HydrophobicContact CG2-CG2 4.25Å; I279-V347 HydrophobicContact CD1-CG1 3.9Å; I279-V347 HydrophobicContact CD1-CG2 4.29Å; Y318-V347 HydrophobicContact CE1-CG2 4.15Å; S343-V347 PolarHBondContact O-N 2.67Å; S343-V347 VanDerWaalsContact O-N 3.13Å; V344-V347 PolarHBondContact O-N 2.86Å; V344-V347 VanDerWaalsContact O-N 3.1Å; V347-W349 VanDerWaalsContact C-N 3.27Å; V347-W349 PolarHBondContact O-N 3.5Å; V347-E350 WeakPolarHBondContact O-CB 3.36Å; V347-E350 PolarHBondContact O-N 2.86Å; V347-E350 VanDerWaalsContact O-N 3.12Å; V347-I351 HydrophobicContact CG1-CD1 4.31Å; V347-I351 WeakPolarHBondContact O-CG1 3.17Å; V347-I351 PolarHBondContact O-N 2.98Å
348	Y	98.8	Very high	96.9	Very high	0 Å²	0	14.6 Å²	14.6	0%	0	9%	0.094	C	C	.	.	H	α-helix	trans	-62.8	-34.6	175.9	-72.2	-14	0	0	0	113.2	A246 I249 A250 V344 G345 L346 I351 A352 M407 I410 M411 I428 I432	A246-Y348 HydrophobicContact CB-CD1 4.05Å; A246-Y348 HydrophobicContact CB-CE1 3.71Å; A246-Y348 PolarHBondContact O-OH 3.11Å; I249-Y348 HydrophobicContact CB-CE1 4.31Å; I249-Y348 HydrophobicContact CD1-CE1 4.46Å; I249-Y348 HydrophobicContact CG2-CE1 4.28Å; A250-Y348 WeakPolarHBondContact CB-OH 3.5Å; V344-Y348 HydrophobicContact CG1-CD1 4.22Å; V344-Y348 HydrophobicContact CG1-CD2 3.92Å; V344-Y348 HydrophobicContact CG1-CE1 3.82Å; V344-Y348 HydrophobicContact CG1-CE2 3.47Å; V344-Y348 VanDerWaalsContact CG1-CE2 3.47Å; V344-Y348 HydrophobicContact CG1-CG 4.28Å; V344-Y348 VanDerWaalsContact CG1-CZ 3.42Å; V344-Y348 PolarHBondContact O-N 2.83Å; G345-Y348 PolarHBondContact O-N 3.16Å; L346-Y348 VanDerWaalsContact C-N 3.32Å; L346-Y348 PolarHBondContact O-N 2.78Å; Y348-I351 HydrophobicContact CD1-CD1 4.13Å; Y348-I351 PolarHBondContact O-N 3Å; Y348-A352 WeakPolarHBondContact O-CB 3.33Å; Y348-A352 PolarHBondContact O-N 2.94Å; Y348-M407 HydrophobicContact CD1-CE 4.07Å; Y348-M407 HydrophobicContact CD2-CE 3.92Å; Y348-M407 HydrophobicContact CG-CE 3.65Å; Y348-I410 HydrophobicContact CD2-CG2 3.91Å; Y348-I410 HydrophobicContact CE2-CG2 3.94Å; Y348-M411 VanDerWaalsContact O-CE 3.31Å; Y348-M411 WeakPolarHBondContact O-CE 3.4Å; Y348-I428 HydrophobicContact CE2-CG2 3.68Å; Y348-I428 WeakPolarHBondContact OH-CG2 3.13Å; Y348-I432 HydrophobicContact CE2-CD1 4.26Å
349	W	98.8	Very high	96.1	Very high	1 Å²	1	14 Å²	14	0%	0.004	11%	0.112	C	C	.	.	H	α-helix	trans	-63.5	-41.8	172.2	179.5	90	0	0	0	111.7	G345 L346 V347 I351 A352 R353 Q365 P367 Y369 P392 S393 W398 M411 W415	G345-W349 PolarHBondContact O-N 2.85Å; L346-W349 WeakPolarHBondContact O-CB 3.48Å; L346-W349 PolarHBondContact O-N 2.83Å; V347-W349 VanDerWaalsContact C-N 3.27Å; V347-W349 PolarHBondContact O-N 3.5Å; W349-I351 VanDerWaalsContact C-N 3.34Å; W349-I351 PolarHBondContact O-N 2.74Å; W349-A352 PolarHBondContact O-N 2.82Å; W349-R353 HydrophobicContact CD2-CG 4.39Å; W349-R353 VanDerWaalsContact CZ2-CD 3.45Å; W349-R353 HydrophobicContact CZ2-CG 4.4Å; W349-R353 VanDerWaalsContact CZ3-CD 3.49Å; W349-R353 WeakPolarHBondContact O-CG 3.44Å; W349-R353 PolarHBondContact O-N 2.86Å; W349-Q365 HydrophobicContact CH2-CB 4.23Å; W349-Q365 HydrophobicContact CZ3-CB 4.45Å; W349-Q365 WeakPolarHBondContact CZ3-O 3.34Å; W349-P367 HydrophobicContact CE3-CB 4.41Å; W349-Y369 AromaticContact CH2-CD1 3.99Å; W349-Y369 HydrophobicContact CH2-CD1 3.99Å; W349-Y369 HydrophobicContact CH2-CE1 4.01Å; W349-P392 HydrophobicContact CD2-CB 3.66Å; W349-P392 HydrophobicContact CD2-CG 4.46Å; W349-P392 VanDerWaalsContact CE2-CB 3.41Å; W349-P392 HydrophobicContact CE3-CB 4.31Å; W349-P392 HydrophobicContact CG-CB 3.87Å; W349-P392 HydrophobicContact CH2-CB 4.47Å; W349-P392 HydrophobicContact CZ2-CB 3.84Å; W349-S393 PolarHBondContact NE1-O 3.06Å; W349-W398 AromaticContact CD1-CH2 3.7Å; W349-W398 HydrophobicContact CG-CH2 4.41Å; W349-M411 HydrophobicContact CB-CE 4.43Å; W349-M411 HydrophobicContact CB-SD 3.75Å; W349-M411 HydrophobicContact CG-SD 4.38Å; W349-W415 HydrophobicContact CB-CH2 3.83Å; W349-W415 HydrophobicContact CB-CZ2 3.78Å; W349-W415 AromaticContact CD1-CH2 3.83Å; W349-W415 HydrophobicContact CG-CH2 4Å; W349-W415 HydrophobicContact CG-CZ2 4.37Å
350	E	98.8	Very high	95.6	Very high	0 Å²	0	18.8 Å²	18.8	0%	0	14%	0.136	C	C	.	.	H	α-helix	trans	-59.1	-44.1	174.3	-63	177	-112.5	0	0	111.8	L232 S276 Y318 L346 V347 Y364	L232-E350 HydrophobicContact CD1-CB 4.01Å; S276-E350 VanDerWaalsContact CB-OE2 3.22Å; S276-E350 WeakPolarHBondContact CB-OE2 3.21Å; S276-E350 PolarHBondContact OG-OE1 3.26Å; S276-E350 PolarHBondContact OG-OE2 3.38Å; Y318-E350 VanDerWaalsContact CE1-OE1 3.29Å; Y318-E350 WeakPolarHBondContact CE1-OE1 3.43Å; Y318-E350 VanDerWaalsContact OH-CD 3.3Å; Y318-E350 PolarHBondContact OH-OE1 2.8Å; Y318-E350 PolarHBondContact OH-OE2 2.98Å; L346-E350 PolarHBondContact O-N 3.41Å; V347-E350 WeakPolarHBondContact O-CB 3.36Å; V347-E350 PolarHBondContact O-N 2.86Å; V347-E350 VanDerWaalsContact O-N 3.12Å; E350-Y364 HydrophobicContact CB-CE2 4.26Å; E350-Y364 HydrophobicContact CG-CE2 4.5Å; E350-Y364 PolarHBondContact OE2-OH 3.16Å
351	I	98.6	Very high	95.3	Very high	0 Å²	0	21.1 Å²	21.1	0%	0	15%	0.15	C	C	.	.	H	α-helix	trans	-65.1	-48.2	178.4	-59.1	170.1	0	0	0	110.7	L228 L232 M242 L245 I249 V347 Y348 W349 R353 R354 C355	L228-I351 HydrophobicContact CD1-CG1 4.39Å; L228-I351 HydrophobicContact CD2-CD1 4.03Å; L228-I351 HydrophobicContact CD2-CG1 4.03Å; L232-I351 HydrophobicContact CD1-CG1 4.04Å; M242-I351 HydrophobicContact CB-CG2 4.16Å; M242-I351 HydrophobicContact CG-CG2 3.81Å; L245-I351 HydrophobicContact CB-CD1 4.15Å; L245-I351 HydrophobicContact CB-CG2 4.4Å; L245-I351 HydrophobicContact CD1-CG2 4.2Å; I249-I351 HydrophobicContact CD1-CD1 3.71Å; V347-I351 HydrophobicContact CG1-CD1 4.31Å; V347-I351 WeakPolarHBondContact O-CG1 3.17Å; V347-I351 PolarHBondContact O-N 2.98Å; Y348-I351 HydrophobicContact CD1-CD1 4.13Å; Y348-I351 PolarHBondContact O-N 3Å; W349-I351 VanDerWaalsContact C-N 3.34Å; W349-I351 PolarHBondContact O-N 2.74Å; I351-R353 VanDerWaalsContact C-N 3.3Å; I351-R353 PolarHBondContact O-N 3.3Å; I351-R354 PolarHBondContact O-N 3.26Å; I351-C355 PolarHBondContact O-N 3.24Å
352	A	97.9	Very high	95	Very high	0 Å²	0	22.4 Å²	22.4	0%	0	16%	0.156	C	C	.	.	H	α-helix	trans	-62.9	-34.2	-173.8	0	0	0	0	0	113.1	M242 Y348 W349 R354 C355 W398 L404 M411	M242-A352 HydrophobicContact SD-CB 4.26Å; Y348-A352 WeakPolarHBondContact O-CB 3.33Å; Y348-A352 PolarHBondContact O-N 2.94Å; W349-A352 PolarHBondContact O-N 2.82Å; A352-R354 PolarHBondContact O-N 3.49Å; A352-C355 WeakPolarHBondContact O-CB 3.42Å; A352-C355 PolarHBondContact O-N 2.83Å; A352-C355 VanDerWaalsContact O-N 3.07Å; A352-W398 HydrophobicContact CB-CE3 4.38Å; A352-W398 HydrophobicContact CB-CH2 3.46Å; A352-W398 VanDerWaalsContact CB-CH2 3.46Å; A352-W398 HydrophobicContact CB-CZ2 3.73Å; A352-W398 HydrophobicContact CB-CZ3 3.82Å; A352-L404 HydrophobicContact CB-CD2 3.84Å; A352-M411 HydrophobicContact CB-CE 3.55Å
353	R	97.3	Very high	94.9	Very high	20 Å²	20	29.4 Å²	29.4	8%	0.075	19%	0.189	C	C	.	.	H	α-helix	trans	-59.9	-31.2	173.7	-73.4	-179.8	67.3	76.7	1.1	113.7	W349 I351 C355 E362 E363 W398	W349-R353 HydrophobicContact CD2-CG 4.39Å; W349-R353 VanDerWaalsContact CZ2-CD 3.45Å; W349-R353 HydrophobicContact CZ2-CG 4.4Å; W349-R353 VanDerWaalsContact CZ3-CD 3.49Å; W349-R353 WeakPolarHBondContact O-CG 3.44Å; W349-R353 PolarHBondContact O-N 2.86Å; I351-R353 VanDerWaalsContact C-N 3.3Å; I351-R353 PolarHBondContact O-N 3.3Å; R353-C355 VanDerWaalsContact C-N 3.3Å; R353-E362 WeakPolarHBondContact CA-OE2 3.3Å; R353-E362 HydrophobicContact CB-CB 4.22Å; R353-E362 PolarHBondContact O-N 3.14Å; R353-E363 PolarHBondContact NE-O 3.35Å; R353-E363 PolarHBondContact NH2-O 3.09Å; R353-W398 HydrophobicContact CG-CH2 4.42Å; R353-W398 HydrophobicContact CG-CZ2 3.91Å
354	R	97.6	Very high	94.8	Very high	23 Å²	23	30.1 Å²	30.1	9%	0.087	19%	0.19	C	C	.	.	T	Hydrogen-bonded Turn	trans	-88	-1.2	179.8	-56.2	-54.2	-66	140.3	1.9	112.7	L232 N235 I236 V237 I351 A352 S356 E362 Y364	L232-R354 HydrophobicContact CB-CG 4.04Å; L232-R354 HydrophobicContact CD2-CB 3.94Å; L232-R354 HydrophobicContact CD2-CG 3.91Å; L232-R354 HydrophobicContact CG-CG 4.45Å; L232-R354 PolarHBondContact O-NE 3.33Å; N235-R354 PolarHBondContact O-NE 2.85Å; N235-R354 PolarHBondContact O-NH2 2.92Å; I236-R354 WeakPolarHBondContact CG2-O 3.34Å; V237-R354 HydrophobicContact CG2-CB 4.3Å; V237-R354 WeakPolarHBondContact CG2-O 3.17Å; V237-R354 PolarHBondContact N-O 3.35Å; I351-R354 PolarHBondContact O-N 3.26Å; A352-R354 PolarHBondContact O-N 3.49Å; R354-S356 PolarHBondContact O-N 2.58Å; R354-E362 PolarHBondContact NH1-O 2.73Å; R354-Y364 HydrophobicContact CG-CD2 4.48Å
355	C	96.6	Very high	94.8	Very high	4 Å²	4	32.7 Å²	32.7	3%	0.027	20%	0.202	C	C	.	.	B	Isolated β-bridge	trans	-76.7	114.9	175.6	-170.2	0	0	0	0	110.1	V237 M242 I351 A352 R353 L404	V237-C355 HydrophobicContact CG2-CB 4.23Å; V237-C355 CarbonylContact O-C 3.58Å; V237-C355 VanDerWaalsContact O-CA 3.3Å; V237-C355 WeakPolarHBondContact O-CA 3.29Å; M242-C355 HydrophobicContact CB-CB 4.36Å; M242-C355 HydrophobicContact SD-CB 3.84Å; I351-C355 PolarHBondContact O-N 3.24Å; A352-C355 WeakPolarHBondContact O-CB 3.42Å; A352-C355 PolarHBondContact O-N 2.83Å; A352-C355 VanDerWaalsContact O-N 3.07Å; R353-C355 VanDerWaalsContact C-N 3.3Å; C355-L404 HydrophobicContact CB-CD2 4.02Å
356	S	93.8	Very high	94.8	Very high	41 Å²	41	34.6 Å²	34.6	29%	0.287	21%	0.212	S	C	.	.			trans	-83.6	122.2	176.1	179.4	0	0	0	0	110.9	I236 V237 R354	I236-S356 VanDerWaalsContact CG2-CB 3.47Å; V237-S356 PolarHBondContact O-N 3.42Å; R354-S356 PolarHBondContact O-N 2.58Å
357	V	88.3	Confident	94.7	Very high	40 Å²	40	34.6 Å²	34.6	24%	0.242	21%	0.212	C	C	.	.	B	Isolated β-bridge	trans	-126.4	119.7	174.2	178.7	0	0	0	0	108.3	V239 G359 I360 C401 L404	V239-V357 HydrophobicContact CG2-CG2 4.06Å; V357-G359 PolarHBondContact O-N 3.43Å; V357-I360 PolarHBondContact N-O 3.41Å; V357-I360 PolarHBondContact O-N 3.16Å; V357-C401 HydrophobicContact CG1-CB 4.1Å; V357-C401 HydrophobicContact CG2-CB 4.12Å; V357-L404 HydrophobicContact CG2-CD1 3.6Å
358	G	81.9	Confident	94.7	Very high	81 Å²	81	34.6 Å²	34.6	84%	0.835	21%	0.212	S	C	*	.	T	Hydrogen-bonded Turn	trans	63.2	26.6	-178.7	0	0	0	0	0	114	I360	G358-I360 PolarHBondContact O-N 3.06Å
359	G	82.1	Confident	94.7	Very high	65 Å²	65	39 Å²	39	67%	0.67	23%	0.23	S	C	*	.	T	Hydrogen-bonded Turn	trans	80.1	-0.8	-178.1	0	0	0	0	0	114.7	V357	V357-G359 PolarHBondContact O-N 3.43Å
360	I	85.8	Confident	94.6	Very high	104 Å²	104	42.9 Å²	42.9	53%	0.533	25%	0.251	S	S	.	.	B	Isolated β-bridge	trans	-94.3	127.9	177.5	-55.3	172.6	0	0	0	108.5	V357 G358	V357-I360 PolarHBondContact N-O 3.41Å; V357-I360 PolarHBondContact O-N 3.16Å; G358-I360 PolarHBondContact O-N 3.06Å
361	V	92.5	Very high	94.5	Very high	51 Å²	51	45.7 Å²	45.7	31%	0.309	26%	0.264	S	S	.	.			trans	-144	146.2	179.1	68.1	0	0	0	0	110.1	I236	I236-V361 HydrophobicContact CD1-CG1 3.97Å; I236-V361 HydrophobicContact CG1-CG1 4.47Å; I236-V361 HydrophobicContact CG1-CG2 4.22Å; I236-V361 HydrophobicContact CG2-CG2 4Å
362	E	94.1	Very high	94.5	Very high	30 Å²	30	46.3 Å²	46.3	14%	0.14	27%	0.268	C	S	.	.	P	Polyproline II helix	trans	-99	144.6	178	-65.7	144.6	139	0	0	110.6	R353 R354 P395 Q397 W398	R353-E362 WeakPolarHBondContact CA-OE2 3.3Å; R353-E362 HydrophobicContact CB-CB 4.22Å; R353-E362 PolarHBondContact O-N 3.14Å; R354-E362 PolarHBondContact NH1-O 2.73Å; E362-P395 WeakPolarHBondContact OE1-CB 3.16Å; E362-P395 WeakPolarHBondContact OE1-CG 3.47Å; E362-Q397 PolarHBondContact OE1-NE2 3.48Å; E362-W398 PolarHBondContact OE2-NE1 2.97Å; E362-W398 VanDerWaalsContact OE2-NE1 3.11Å
363	E	95.5	Very high	94.5	Very high	147 Å²	147	49.5 Å²	49.5	69%	0.687	29%	0.289	S	S	*	.	P	Polyproline II helix	trans	-59.9	148	174.4	-66.9	-171.3	164.7	0	0	111.8	R353 Q365	R353-E363 PolarHBondContact NE-O 3.35Å; R353-E363 PolarHBondContact NH2-O 3.09Å; E363-Q365 PolarHBondContact O-N 3.03Å
364	Y	97.5	Very high	94.3	Very high	23 Å²	23	53.9 Å²	53.9	9%	0.09	32%	0.323	C	S	.	.	P	Polyproline II helix	trans	-59.5	131.9	173.5	176.9	-94.9	0	0	0	110	Y229 L232 N233 E350 R354 L366	Y229-Y364 AromaticContact CD2-CE1 3.95Å; Y229-Y364 HydrophobicContact CD2-CE1 3.95Å; Y229-Y364 AromaticContact CD2-CZ 3.71Å; Y229-Y364 WeakPolarHBondContact CD2-OH 3.34Å; Y229-Y364 AromaticContact CE2-CE1 3.61Å; Y229-Y364 HydrophobicContact CE2-CE1 3.61Å; Y229-Y364 AromaticContact CE2-CZ 3.86Å; Y229-Y364 WeakPolarHBondContact CE2-OH 3.19Å; L232-Y364 HydrophobicContact CB-CD2 3.61Å; L232-Y364 HydrophobicContact CB-CE2 3.87Å; L232-Y364 HydrophobicContact CD1-CE2 4.21Å; N233-Y364 WeakPolarHBondContact ND2-CD1 3.37Å; N233-Y364 WeakPolarHBondContact ND2-CE1 3.46Å; N233-Y364 WeakPolarHBondContact OD1-CD1 3.27Å; E350-Y364 HydrophobicContact CB-CE2 4.26Å; E350-Y364 HydrophobicContact CG-CE2 4.5Å; E350-Y364 PolarHBondContact OE2-OH 3.16Å; R354-Y364 HydrophobicContact CG-CD2 4.48Å; Y364-L366 HydrophobicContact CE1-CG 4.49Å; Y364-L366 VanDerWaalsContact OH-CD2 3.31Å; Y364-L366 WeakPolarHBondContact OH-CD2 3.19Å
365	Q	98.2	Very high	94.2	Very high	56 Å²	56	58.8 Å²	58.8	26%	0.262	35%	0.351	S	S	.	.			trans	-144.1	148.7	174.8	-69.2	-61.2	-17.8	0	0	109	W349 E363 Y369	W349-Q365 HydrophobicContact CH2-CB 4.23Å; W349-Q365 HydrophobicContact CZ3-CB 4.45Å; W349-Q365 WeakPolarHBondContact CZ3-O 3.34Å; E363-Q365 PolarHBondContact O-N 3.03Å; Q365-Y369 HydrophobicContact CB-CD1 3.54Å; Q365-Y369 HydrophobicContact CB-CD2 4.12Å; Q365-Y369 HydrophobicContact CB-CE1 3.91Å; Q365-Y369 HydrophobicContact CB-CE2 4.42Å; Q365-Y369 HydrophobicContact CB-CG 3.67Å; Q365-Y369 VanDerWaalsContact CD-CD2 3.43Å; Q365-Y369 HydrophobicContact CG-CD1 3.95Å; Q365-Y369 HydrophobicContact CG-CD2 3.74Å; Q365-Y369 HydrophobicContact CG-CE1 3.97Å; Q365-Y369 HydrophobicContact CG-CE2 3.74Å; Q365-Y369 HydrophobicContact CG-CG 3.84Å
366	L	98.2	Very high	94.3	Very high	40 Å²	40	58.8 Å²	58.8	21%	0.209	35%	0.35	C	S	.	.			trans	-71.8	151.5	168.6	-76	168.3	0	0	0	110.1	Y229 Y318 Y364 Y368 Y369	Y229-L366 HydrophobicContact CD2-CD2 4.13Å; Y229-L366 HydrophobicContact CE2-CD1 4.47Å; Y229-L366 HydrophobicContact CE2-CD2 4.03Å; Y229-L366 HydrophobicContact CE2-CG 4.29Å; Y318-L366 WeakPolarHBondContact OH-CD2 3.16Å; Y364-L366 HydrophobicContact CE1-CG 4.49Å; Y364-L366 VanDerWaalsContact OH-CD2 3.31Å; Y364-L366 WeakPolarHBondContact OH-CD2 3.19Å; L366-Y368 PolarHBondContact O-N 3.45Å; L366-Y369 VanDerWaalsContact O-CB 3.3Å; L366-Y369 WeakPolarHBondContact O-CB 3.49Å; L366-Y369 WeakPolarHBondContact O-CD1 3.11Å; L366-Y369 PolarHBondContact O-N 3.47Å; L366-Y369 VanDerWaalsContact O-N 3.1Å
367	P	98.4	Very high	94.4	Very high	0 Å²	0	59.1 Å²	59.1	0%	0	35%	0.352	C	S	.	.	T	Hydrogen-bonded Turn	trans	-58.6	136.9	173.8	22.9	-31.2	0	0	0	109.9	R317 Y318 L346 W349 Y369 P392	R317-P367 VanDerWaalsContact CD-O 3.24Å; R317-P367 WeakPolarHBondContact CD-O 3.46Å; R317-P367 HydrophobicContact CG-CG 4.27Å; R317-P367 WeakPolarHBondContact CG-O 3.38Å; R317-P367 PolarHBondContact NH1-O 3.08Å; Y318-P367 HydrophobicContact CD1-CG 4.34Å; Y318-P367 HydrophobicContact CE1-CG 3.69Å; Y318-P367 HydrophobicContact CE2-CG 4.35Å; Y318-P367 WeakPolarHBondContact OH-CD 3.45Å; L346-P367 HydrophobicContact CB-CB 4.1Å; L346-P367 HydrophobicContact CB-CG 4.07Å; L346-P367 HydrophobicContact CD1-CG 4.5Å; L346-P367 HydrophobicContact CD2-CB 3.96Å; L346-P367 HydrophobicContact CG-CB 4.42Å; W349-P367 HydrophobicContact CE3-CB 4.41Å; P367-Y369 VanDerWaalsContact C-N 3.28Å; P367-Y369 PolarHBondContact O-N 3.36Å; P367-P392 HydrophobicContact CB-CG 4.03Å
368	Y	98.4	Very high	94.8	Very high	0 Å²	0	60.1 Å²	60.1	0%	0	36%	0.356	C	S	.	.	T	Hydrogen-bonded Turn	trans	65.5	19.7	-175.9	-47.4	-77.7	0	0	0	115.3	R317 Y342 L346 L366 D370 M371 V372 M381 V384 V385 R391 P392	R317-Y368 HydrophobicContact CG-CD2 4.49Å; R317-Y368 PolarHBondContact NH1-O 2.75Å; Y342-Y368 PolarHBondContact OH-OH 3.34Å; L346-Y368 HydrophobicContact CD1-CE2 4.04Å; L346-Y368 HydrophobicContact CD2-CE2 3.7Å; L366-Y368 PolarHBondContact O-N 3.45Å; Y368-D370 PolarHBondContact O-N 3Å; Y368-D370 VanDerWaalsContact O-N 3.15Å; Y368-M371 HydrophobicContact CD1-CE 3.85Å; Y368-M371 HydrophobicContact CD1-SD 4.04Å; Y368-M371 PolarHBondContact O-N 2.89Å; Y368-V372 WeakPolarHBondContact O-CG2 3.28Å; Y368-V372 PolarHBondContact O-N 3.06Å; Y368-V372 VanDerWaalsContact O-N 3.09Å; Y368-M381 HydrophobicContact CD2-CE 3.82Å; Y368-M381 HydrophobicContact CE2-CE 4.04Å; Y368-M381 HydrophobicContact CG-CE 4.38Å; Y368-V384 HydrophobicContact CD1-CG1 4.07Å; Y368-V384 HydrophobicContact CE1-CG1 4.39Å; Y368-V385 HydrophobicContact CE1-CG2 4.06Å; Y368-V385 HydrophobicContact CE2-CG2 4.26Å; Y368-R391 WeakPolarHBondContact OH-CD 3.31Å; Y368-P392 HydrophobicContact CD1-CG 4.45Å; Y368-P392 HydrophobicContact CE1-CG 4.17Å; Y368-P392 HydrophobicContact CE2-CG 4.36Å
369	Y	97.9	Very high	95.6	Very high	94 Å²	94	61.3 Å²	61.3	37%	0.369	34%	0.34	S	S	.	.	T	Hydrogen-bonded Turn	trans	-55.4	-29.1	177.6	77.2	-72.4	0	0	0	114	W349 Q365 L366 P367	W349-Y369 AromaticContact CH2-CD1 3.99Å; W349-Y369 HydrophobicContact CH2-CD1 3.99Å; W349-Y369 HydrophobicContact CH2-CE1 4.01Å; Q365-Y369 HydrophobicContact CB-CD1 3.54Å; Q365-Y369 HydrophobicContact CB-CD2 4.12Å; Q365-Y369 HydrophobicContact CB-CE1 3.91Å; Q365-Y369 HydrophobicContact CB-CE2 4.42Å; Q365-Y369 HydrophobicContact CB-CG 3.67Å; Q365-Y369 VanDerWaalsContact CD-CD2 3.43Å; Q365-Y369 HydrophobicContact CG-CD1 3.95Å; Q365-Y369 HydrophobicContact CG-CD2 3.74Å; Q365-Y369 HydrophobicContact CG-CE1 3.97Å; Q365-Y369 HydrophobicContact CG-CE2 3.74Å; Q365-Y369 HydrophobicContact CG-CG 3.84Å; L366-Y369 VanDerWaalsContact O-CB 3.3Å; L366-Y369 WeakPolarHBondContact O-CB 3.49Å; L366-Y369 WeakPolarHBondContact O-CD1 3.11Å; L366-Y369 PolarHBondContact O-N 3.47Å; L366-Y369 VanDerWaalsContact O-N 3.1Å; P367-Y369 VanDerWaalsContact C-N 3.28Å; P367-Y369 PolarHBondContact O-N 3.36Å
370	D	97.1	Very high	96.3	Very high	82 Å²	82	62 Å²	62	44%	0.439	33%	0.326	S	S	.	.	T	Hydrogen-bonded Turn	trans	-88.7	-5.7	-178.3	56	-20.5	0	0	0	113.5	Y368	Y368-D370 PolarHBondContact O-N 3Å; Y368-D370 VanDerWaalsContact O-N 3.15Å
371	M	97.3	Very high	96.9	Very high	59 Å²	59	57 Å²	57	29%	0.291	30%	0.3	S	S	.	.	T	Hydrogen-bonded Turn	trans	-122.2	-25	-173.2	-65	177.8	-116.3	0	0	114	Y368 V384 F390	Y368-M371 HydrophobicContact CD1-CE 3.85Å; Y368-M371 HydrophobicContact CD1-SD 4.04Å; Y368-M371 PolarHBondContact O-N 2.89Å; M371-V384 HydrophobicContact CB-CG1 4Å; M371-V384 HydrophobicContact CB-CG2 4.25Å; M371-V384 HydrophobicContact CG-CG1 4.39Å; M371-V384 HydrophobicContact SD-CG1 3.58Å; M371-V384 VanDerWaalsContact SD-CG1 3.58Å; M371-F390 HydrophobicContact SD-CB 3.65Å; M371-F390 HydrophobicContact SD-CD2 4.3Å; M371-F390 HydrophobicContact SD-CG 4.18Å
372	V	98	Very high	97.2	Very high	13 Å²	13	57.6 Å²	57.6	8%	0.079	30%	0.297	C	S	.	.	S	Bend	trans	-139.9	152.4	-175.8	-55.8	0	0	0	0	111.6	Y368 P376 M381 V384	Y368-V372 WeakPolarHBondContact O-CG2 3.28Å; Y368-V372 PolarHBondContact O-N 3.06Å; Y368-V372 VanDerWaalsContact O-N 3.09Å; V372-P376 HydrophobicContact CB-CB 3.9Å; V372-P376 HydrophobicContact CG2-CB 3.84Å; V372-P376 HydrophobicContact CG2-CG 3.98Å; V372-M381 HydrophobicContact CB-SD 4.38Å; V372-M381 HydrophobicContact CG1-SD 4Å; V372-M381 HydrophobicContact CG2-SD 3.82Å; V372-V384 HydrophobicContact CG1-CB 4.36Å; V372-V384 HydrophobicContact CG1-CG2 3.74Å
373	P	97.3	Very high	97.4	Very high	66 Å²	66	61.7 Å²	61.7	43%	0.429	31%	0.314	S	S	.	.			trans	-64.4	168.9	178.1	28.7	-37	0	0	0	112.3	R317 D375 P376 E380	R317-P373 PolarHBondContact NH2-O 3.3Å; P373-D375 PolarHBondContact O-N 3.41Å; P373-P376 HydrophobicContact CG-CB 4.48Å; P373-P376 WeakPolarHBondContact O-CD 3.37Å; P373-E380 WeakPolarHBondContact CG-OE1 3.39Å
374	S	94.6	Very high	97.5	Very high	113 Å²	113	55.2 Å²	55.2	79%	0.79	29%	0.285	S	S	*	.	S	Bend	trans	-54.9	-44.6	-174.2	-58.4	0	0	0	0	114.6	R317 P376	R317-S374 PolarHBondContact NH2-O 3.46Å; S374-P376 WeakPolarHBondContact O-CD 3.37Å
375	D	95.1	Very high	97.6	Very high	126 Å²	126	54.2 Å²	54.2	67%	0.674	28%	0.281	S	S	*	.	S	Bend	trans	-112.9	84.9	170.3	-180	25.3	0	0	0	109.6	K316 P373	K316-D375 IonicContact NZ-OD1 3.69Å; K316-D375 PolarHBondContact NZ-OD1 3.21Å; K316-D375 IonicContact NZ-OD2 3.45Å; P373-D375 PolarHBondContact O-N 3.41Å
376	P	97.5	Very high	97.6	Very high	4 Å²	4	52.5 Å²	52.5	3%	0.026	28%	0.275	C	S	.	.			trans	-75	146.1	-174.8	33.1	-35.6	0	0	0	110.8	K316 R317 V372 P373 S374 M381	K316-P376 WeakPolarHBondContact CD-O 3.41Å; R317-P376 HydrophobicContact CB-CG 4.16Å; V372-P376 HydrophobicContact CB-CB 3.9Å; V372-P376 HydrophobicContact CG2-CB 3.84Å; V372-P376 HydrophobicContact CG2-CG 3.98Å; P373-P376 HydrophobicContact CG-CB 4.48Å; P373-P376 WeakPolarHBondContact O-CD 3.37Å; S374-P376 WeakPolarHBondContact O-CD 3.37Å; P376-M381 HydrophobicContact CB-CG 3.95Å; P376-M381 HydrophobicContact CB-SD 4.02Å; P376-M381 HydrophobicContact CG-CG 3.87Å; P376-M381 HydrophobicContact CG-SD 3.76Å
377	S	97.7	Very high	97.5	Very high	47 Å²	47	54.6 Å²	54.6	33%	0.329	29%	0.286	S	S	.	.			trans	-70.2	164.4	167.2	66.8	0	0	0	0	111.6	E379 E380 M381	S377-E379 PolarHBondContact O-N 3.47Å; S377-E380 WeakPolarHBondContact CB-OE2 3.41Å; S377-E380 PolarHBondContact N-OE2 3.41Å; S377-E380 PolarHBondContact O-N 2.77Å; S377-E380 VanDerWaalsContact OG-CG 3.3Å; S377-E380 WeakPolarHBondContact OG-CG 3.43Å; S377-E380 PolarHBondContact OG-N 2.83Å; S377-E380 PolarHBondContact OG-OE2 3.37Å; S377-M381 PolarHBondContact O-N 3.23Å
378	I	96.4	Very high	97.5	Very high	61 Å²	61	59 Å²	59	31%	0.313	31%	0.307	S	S	.	.	H	α-helix	trans	-60.4	-38.9	174.1	-67.8	163.4	0	0	0	110.1	K312 K316 L324 M381 R382	K312-I378 HydrophobicContact CD-CD1 4.36Å; K316-I378 HydrophobicContact CD-CG1 4.35Å; K316-I378 HydrophobicContact CG-CG1 4.03Å; L324-I378 HydrophobicContact CD2-CG2 4.22Å; I378-M381 PolarHBondContact O-N 3.05Å; I378-R382 VanDerWaalsContact O-CB 3.28Å; I378-R382 WeakPolarHBondContact O-CB 3.26Å; I378-R382 PolarHBondContact O-N 3.01Å
379	E	97.5	Very high	97.5	Very high	107 Å²	107	66.3 Å²	66.3	50%	0.5	34%	0.339	S	S	.	.	H	α-helix	trans	-67.8	-41.4	-177.3	-176	55.8	-157.1	0	0	112.6	S377 M381 R382 K383	S377-E379 PolarHBondContact O-N 3.47Å; E379-M381 PolarHBondContact O-N 2.97Å; E379-R382 PolarHBondContact O-N 3.02Å; E379-R382 IonicContact OE1-CZ 2.71Å; E379-R382 IonicContact OE1-NE 2.86Å; E379-R382 PolarHBondContact OE1-NE 3.15Å; E379-R382 IonicContact OE1-NH2 2.78Å; E379-R382 PolarHBondContact OE1-NH2 3.22Å; E379-R382 IonicContact OE2-CZ 3.45Å; E379-R382 IonicContact OE2-NE 2.86Å; E379-R382 PolarHBondContact OE2-NE 3.31Å; E379-R382 IonicContact OE2-NH2 3.36Å; E379-K383 WeakPolarHBondContact O-CB 3.48Å; E379-K383 PolarHBondContact O-N 2.7Å
380	E	98.1	Very high	97.5	Very high	79 Å²	79	67 Å²	67	37%	0.369	34%	0.344	S	S	.	.	H	α-helix	trans	-62.2	-44.3	174.2	-72.3	162.8	134.8	0	0	111.3	P373 S377 K383 V384	P373-E380 WeakPolarHBondContact CG-OE1 3.39Å; S377-E380 WeakPolarHBondContact CB-OE2 3.41Å; S377-E380 PolarHBondContact N-OE2 3.41Å; S377-E380 PolarHBondContact O-N 2.77Å; S377-E380 VanDerWaalsContact OG-CG 3.3Å; S377-E380 WeakPolarHBondContact OG-CG 3.43Å; S377-E380 PolarHBondContact OG-N 2.83Å; S377-E380 PolarHBondContact OG-OE2 3.37Å; E380-K383 PolarHBondContact O-N 3.4Å; E380-V384 PolarHBondContact O-N 3.4Å
381	M	98.4	Very high	97.5	Very high	0 Å²	0	65.5 Å²	65.5	0%	0	33%	0.332	C	S	.	.	H	α-helix	trans	-64.2	-43	175.7	-71.5	-57.8	-54.1	0	0	111.8	K316 R317 L324 Y368 V372 P376 S377 I378 E379 K383 V384 V385	K316-M381 HydrophobicContact CB-CG 4.47Å; R317-M381 WeakPolarHBondContact O-CE 3.33Å; L324-M381 HydrophobicContact CD1-CB 3.97Å; L324-M381 HydrophobicContact CD2-CB 3.62Å; L324-M381 HydrophobicContact CG-CB 4.46Å; Y368-M381 HydrophobicContact CD2-CE 3.82Å; Y368-M381 HydrophobicContact CE2-CE 4.04Å; Y368-M381 HydrophobicContact CG-CE 4.38Å; V372-M381 HydrophobicContact CB-SD 4.38Å; V372-M381 HydrophobicContact CG1-SD 4Å; V372-M381 HydrophobicContact CG2-SD 3.82Å; P376-M381 HydrophobicContact CB-CG 3.95Å; P376-M381 HydrophobicContact CB-SD 4.02Å; P376-M381 HydrophobicContact CG-CG 3.87Å; P376-M381 HydrophobicContact CG-SD 3.76Å; S377-M381 PolarHBondContact O-N 3.23Å; I378-M381 PolarHBondContact O-N 3.05Å; E379-M381 PolarHBondContact O-N 2.97Å; M381-K383 VanDerWaalsContact C-N 3.35Å; M381-K383 PolarHBondContact O-N 3.22Å; M381-V384 PolarHBondContact O-N 2.92Å; M381-V385 HydrophobicContact CE-CG2 3.71Å; M381-V385 VanDerWaalsContact O-CB 3.24Å; M381-V385 WeakPolarHBondContact O-CB 3.4Å; M381-V385 WeakPolarHBondContact O-CG2 3.36Å; M381-V385 PolarHBondContact O-N 3.11Å
382	R	98.2	Very high	97.5	Very high	63 Å²	63	62.9 Å²	62.9	24%	0.238	32%	0.319	C	S	.	.	H	α-helix	trans	-59	-45.7	177.5	-169.2	-167.3	71.2	64.5	12.6	110.9	L324 I378 E379 V384 C386 D387	L324-R382 HydrophobicContact CB-CB 4.28Å; L324-R382 HydrophobicContact CB-CG 4.45Å; I378-R382 VanDerWaalsContact O-CB 3.28Å; I378-R382 WeakPolarHBondContact O-CB 3.26Å; I378-R382 PolarHBondContact O-N 3.01Å; E379-R382 PolarHBondContact O-N 3.02Å; E379-R382 IonicContact OE1-CZ 2.71Å; E379-R382 IonicContact OE1-NE 2.86Å; E379-R382 PolarHBondContact OE1-NE 3.15Å; E379-R382 IonicContact OE1-NH2 2.78Å; E379-R382 PolarHBondContact OE1-NH2 3.22Å; E379-R382 IonicContact OE2-CZ 3.45Å; E379-R382 IonicContact OE2-NE 2.86Å; E379-R382 PolarHBondContact OE2-NE 3.31Å; E379-R382 IonicContact OE2-NH2 3.36Å; R382-V384 PolarHBondContact O-N 3.44Å; R382-C386 HydrophobicContact CG-CB 4.24Å; R382-C386 WeakPolarHBondContact O-CA 3.39Å; R382-C386 WeakPolarHBondContact O-CB 3.44Å; R382-C386 PolarHBondContact O-N 3.4Å; R382-D387 IonicContact CZ-OD1 3.55Å; R382-D387 IonicContact CZ-OD2 2.83Å; R382-D387 VanDerWaalsContact NH1-CG 3.28Å; R382-D387 IonicContact NH1-OD1 2.67Å; R382-D387 PolarHBondContact NH1-OD1 2.95Å; R382-D387 IonicContact NH1-OD2 3.51Å; R382-D387 PolarHBondContact NH1-OD2 2.96Å; R382-D387 IonicContact NH2-OD2 3.4Å; R382-D387 PolarHBondContact NH2-OD2 3.19Å; R382-D387 PolarHBondContact O-N 3.08Å; R382-D387 VanDerWaalsContact O-N 3.15Å
383	K	98.3	Very high	97.4	Very high	116 Å²	116	65.2 Å²	65.2	50%	0.504	34%	0.336	S	S	.	.	I	π-helix	trans	-58.7	-46.6	177.2	-175.2	179	178.5	-178.9	0	112.2	E379 E380 M381 D387 Q388	E379-K383 WeakPolarHBondContact O-CB 3.48Å; E379-K383 PolarHBondContact O-N 2.7Å; E380-K383 PolarHBondContact O-N 3.4Å; M381-K383 VanDerWaalsContact C-N 3.35Å; M381-K383 PolarHBondContact O-N 3.22Å; K383-D387 WeakPolarHBondContact O-CB 3.49Å; K383-D387 PolarHBondContact O-N 2.7Å; K383-Q388 WeakPolarHBondContact O-CB 3.46Å; K383-Q388 WeakPolarHBondContact O-CG 3.45Å; K383-Q388 PolarHBondContact O-N 3.28Å
384	V	98.4	Very high	97.3	Very high	11 Å²	11	63.8 Å²	63.8	7%	0.067	33%	0.325	C	S	.	.	I	π-helix	trans	-73.4	-47.1	-178.1	173.4	0	0	0	0	111.8	Y368 M371 V372 E380 M381 R382 K389 F390	Y368-V384 HydrophobicContact CD1-CG1 4.07Å; Y368-V384 HydrophobicContact CE1-CG1 4.39Å; M371-V384 HydrophobicContact CB-CG1 4Å; M371-V384 HydrophobicContact CB-CG2 4.25Å; M371-V384 HydrophobicContact CG-CG1 4.39Å; M371-V384 HydrophobicContact SD-CG1 3.58Å; M371-V384 VanDerWaalsContact SD-CG1 3.58Å; V372-V384 HydrophobicContact CG1-CB 4.36Å; V372-V384 HydrophobicContact CG1-CG2 3.74Å; E380-V384 PolarHBondContact O-N 3.4Å; M381-V384 PolarHBondContact O-N 2.92Å; R382-V384 PolarHBondContact O-N 3.44Å; V384-K389 PolarHBondContact O-N 3.24Å; V384-F390 HydrophobicContact CG1-CB 3.99Å; V384-F390 PolarHBondContact O-N 3Å
385	V	98.4	Very high	97.3	Very high	1 Å²	1	59.5 Å²	59.5	1%	0.006	29%	0.294	C	S	.	.	I	π-helix	trans	-86.5	-36.5	-168.8	174.3	0	0	0	0	112.9	P321 L324 Y342 Y368 M381 K389 R391	P321-V385 HydrophobicContact CB-CG1 4.21Å; P321-V385 HydrophobicContact CG-CG1 3.72Å; L324-V385 HydrophobicContact CD1-CB 3.73Å; L324-V385 HydrophobicContact CD1-CG1 3.84Å; L324-V385 HydrophobicContact CD1-CG2 4.13Å; Y342-V385 WeakPolarHBondContact OH-CG1 3.47Å; Y368-V385 HydrophobicContact CE1-CG2 4.06Å; Y368-V385 HydrophobicContact CE2-CG2 4.26Å; M381-V385 HydrophobicContact CE-CG2 3.71Å; M381-V385 VanDerWaalsContact O-CB 3.24Å; M381-V385 WeakPolarHBondContact O-CB 3.4Å; M381-V385 WeakPolarHBondContact O-CG2 3.36Å; M381-V385 PolarHBondContact O-N 3.11Å; V385-K389 WeakPolarHBondContact O-CA 3.43Å; V385-R391 PolarHBondContact O-NH1 3.45Å
386	C	97.9	Very high	97	Very high	20 Å²	20	60.4 Å²	60.4	14%	0.135	30%	0.299	C	S	.	.	I	π-helix	trans	-99.7	-52.3	-175.4	-52.2	0	0	0	0	111.7	P321 R382 K389	P321-C386 PolarHBondContact O-SG 3.29Å; P321-C386 VanDerWaalsContact O-SG 3.41Å; R382-C386 HydrophobicContact CG-CB 4.24Å; R382-C386 WeakPolarHBondContact O-CA 3.39Å; R382-C386 WeakPolarHBondContact O-CB 3.44Å; R382-C386 PolarHBondContact O-N 3.4Å; C386-K389 VanDerWaalsContact O-CG 3.29Å; C386-K389 WeakPolarHBondContact O-CG 3.11Å
387	D	97.5	Very high	96.6	Very high	85 Å²	85	64 Å²	64	46%	0.455	32%	0.315	S	S	.	.	I	π-helix	trans	-75.3	-52.3	-174.3	-56.9	-16.8	0	0	0	110.9	R382 K383	R382-D387 IonicContact CZ-OD1 3.55Å; R382-D387 IonicContact CZ-OD2 2.83Å; R382-D387 VanDerWaalsContact NH1-CG 3.28Å; R382-D387 IonicContact NH1-OD1 2.67Å; R382-D387 PolarHBondContact NH1-OD1 2.95Å; R382-D387 IonicContact NH1-OD2 3.51Å; R382-D387 PolarHBondContact NH1-OD2 2.96Å; R382-D387 IonicContact NH2-OD2 3.4Å; R382-D387 PolarHBondContact NH2-OD2 3.19Å; R382-D387 PolarHBondContact O-N 3.08Å; R382-D387 VanDerWaalsContact O-N 3.15Å; K383-D387 WeakPolarHBondContact O-CB 3.49Å; K383-D387 PolarHBondContact O-N 2.7Å
388	Q	97.7	Very high	96.3	Very high	93 Å²	93	61.9 Å²	61.9	44%	0.435	30%	0.3	S	S	.	.	S	Bend	trans	-85	-15.9	180	-64.2	176.2	-19.2	0	0	113.4	K383 F390	K383-Q388 WeakPolarHBondContact O-CB 3.46Å; K383-Q388 WeakPolarHBondContact O-CG 3.45Å; K383-Q388 PolarHBondContact O-N 3.28Å; Q388-F390 HydrophobicContact CB-CD2 3.52Å; Q388-F390 HydrophobicContact CB-CE2 3.69Å; Q388-F390 HydrophobicContact CB-CG 4.26Å; Q388-F390 HydrophobicContact CG-CD2 4.35Å; Q388-F390 HydrophobicContact CG-CE2 4.19Å; Q388-F390 PolarHBondContact O-N 3.44Å; Q388-F390 VanDerWaalsContact OE1-CD2 3.3Å
389	K	97.7	Very high	96.1	Very high	153 Å²	153	63.5 Å²	63.5	67%	0.665	31%	0.306	S	S	*	.			trans	56.5	29	-179.9	-56.2	-178.8	-178.3	178.7	0	113.9	V384 V385 C386	V384-K389 PolarHBondContact O-N 3.24Å; V385-K389 WeakPolarHBondContact O-CA 3.43Å; C386-K389 VanDerWaalsContact O-CG 3.29Å; C386-K389 WeakPolarHBondContact O-CG 3.11Å
390	F	97.8	Very high	95.7	Very high	108 Å²	108	63 Å²	63	47%	0.474	31%	0.314	S	S	.	.			trans	-72.8	152.8	175.3	-71.2	-49.4	0	0	0	111.8	M371 V384 Q388	M371-F390 HydrophobicContact SD-CB 3.65Å; M371-F390 HydrophobicContact SD-CD2 4.3Å; M371-F390 HydrophobicContact SD-CG 4.18Å; V384-F390 HydrophobicContact CG1-CB 3.99Å; V384-F390 PolarHBondContact O-N 3Å; Q388-F390 HydrophobicContact CB-CD2 3.52Å; Q388-F390 HydrophobicContact CB-CE2 3.69Å; Q388-F390 HydrophobicContact CB-CG 4.26Å; Q388-F390 HydrophobicContact CG-CD2 4.35Å; Q388-F390 HydrophobicContact CG-CE2 4.19Å; Q388-F390 PolarHBondContact O-N 3.44Å; Q388-F390 VanDerWaalsContact OE1-CD2 3.3Å
391	R	98.2	Very high	95.5	Very high	50 Å²	50	60 Å²	60	19%	0.189	30%	0.302	C	S	.	.			trans	-136.2	159.4	174.4	-64.5	-61	-178.6	-92.6	2.4	108.4	Y368 V385 S393 W415	Y368-R391 WeakPolarHBondContact OH-CD 3.31Å; V385-R391 PolarHBondContact O-NH1 3.45Å; R391-S393 PolarHBondContact O-N 3.46Å; R391-W415 HydrophobicContact CB-CD2 4.44Å; R391-W415 HydrophobicContact CB-CE3 3.78Å; R391-W415 HydrophobicContact CB-CZ3 4.17Å; R391-W415 HydrophobicContact CG-CB 4.17Å; R391-W415 HydrophobicContact CG-CE3 4.16Å; R391-W415 PolarHBondContact NE-O 3.01Å; R391-W415 PolarHBondContact NH2-O 3.38Å
392	P	98	Very high	95.3	Very high	4 Å²	4	63.8 Å²	63.8	3%	0.026	32%	0.32	C	S	.	.			trans	-54.9	135.2	175.3	-23.6	34.9	0	0	0	110.8	L346 W349 P367 Y368 I394 W415	L346-P392 HydrophobicContact CD2-CG 3.71Å; W349-P392 HydrophobicContact CD2-CB 3.66Å; W349-P392 HydrophobicContact CD2-CG 4.46Å; W349-P392 VanDerWaalsContact CE2-CB 3.41Å; W349-P392 HydrophobicContact CE3-CB 4.31Å; W349-P392 HydrophobicContact CG-CB 3.87Å; W349-P392 HydrophobicContact CH2-CB 4.47Å; W349-P392 HydrophobicContact CZ2-CB 3.84Å; P367-P392 HydrophobicContact CB-CG 4.03Å; Y368-P392 HydrophobicContact CD1-CG 4.45Å; Y368-P392 HydrophobicContact CE1-CG 4.17Å; Y368-P392 HydrophobicContact CE2-CG 4.36Å; P392-I394 PolarHBondContact O-N 2.96Å; P392-W415 HydrophobicContact CB-CH2 3.95Å; P392-W415 HydrophobicContact CB-CZ3 4.49Å; P392-W415 HydrophobicContact CG-CH2 4Å; P392-W415 HydrophobicContact CG-CZ2 4.12Å
393	S	95.8	Very high	95.1	Very high	63 Å²	63	61 Å²	61	44%	0.441	31%	0.311	S	S	.	.			trans	-65	134.9	-175.6	54.4	0	0	0	0	110.8	W349 R391 P395	W349-S393 PolarHBondContact NE1-O 3.06Å; R391-S393 PolarHBondContact O-N 3.46Å; S393-P395 WeakPolarHBondContact O-CD 3.29Å
394	I	95.3	Very high	95	Very high	36 Å²	36	55.7 Å²	55.7	19%	0.185	29%	0.288	C	S	.	.			trans	-96.5	109.7	173.1	-65.4	177.6	0	0	0	107.4	P392 W398 M411 R412 W415	P392-I394 PolarHBondContact O-N 2.96Å; I394-W398 HydrophobicContact CG1-CZ3 4.39Å; I394-W398 HydrophobicContact CG2-CD2 4.4Å; I394-W398 HydrophobicContact CG2-CE3 3.66Å; I394-W398 HydrophobicContact CG2-CZ3 4.06Å; I394-M411 HydrophobicContact CD1-CB 4.47Å; I394-R412 HydrophobicContact CD1-CG 3.83Å; I394-W415 HydrophobicContact CD1-CZ3 4.3Å; I394-W415 HydrophobicContact CG1-CZ3 4.35Å
395	P	92.8	Very high	94.9	Very high	22 Å²	22	60.1 Å²	60.1	14%	0.143	30%	0.303	C	S	.	.			trans	-58.4	137.2	-179.3	-22.4	31.9	0	0	0	112.5	E362 S393 Q397 W398	E362-P395 WeakPolarHBondContact OE1-CB 3.16Å; E362-P395 WeakPolarHBondContact OE1-CG 3.47Å; S393-P395 WeakPolarHBondContact O-CD 3.29Å; P395-Q397 HydrophobicContact CB-CG 3.68Å; P395-Q397 PolarHBondContact O-N 3.36Å; P395-W398 HydrophobicContact CB-CG 4.36Å; P395-W398 HydrophobicContact CG-CD2 4.26Å; P395-W398 HydrophobicContact CG-CZ2 3.96Å; P395-W398 WeakPolarHBondContact O-CB 3.35Å; P395-W398 PolarHBondContact O-N 3.38Å; P395-W398 VanDerWaalsContact O-N 3.11Å
396	N	90.4	Very high	94.9	Very high	146 Å²	146	60.4 Å²	60.4	78%	0.781	31%	0.305	S	S	*	.	G	3₁₀ helix	trans	-60.7	-30.4	178.5	-72.1	-25.8	0	0	0	112.6	W398 Q399	N396-W398 PolarHBondContact O-N 3.14Å; N396-Q399 VanDerWaalsContact O-CB 3.32Å; N396-Q399 WeakPolarHBondContact O-CB 3.13Å; N396-Q399 WeakPolarHBondContact O-CG 3.25Å; N396-Q399 PolarHBondContact O-N 3.2Å
397	Q	88.3	Confident	94.9	Very high	78 Å²	78	59.5 Å²	59.5	36%	0.364	30%	0.299	S	S	.	.	G	3₁₀ helix	trans	-58.6	-27.4	177.3	59.5	-178.3	8.8	0	0	113.3	E362 P395 Q399 S400	E362-Q397 PolarHBondContact OE1-NE2 3.48Å; P395-Q397 HydrophobicContact CB-CG 3.68Å; P395-Q397 PolarHBondContact O-N 3.36Å; Q397-Q399 PolarHBondContact O-N 3.02Å; Q397-Q399 VanDerWaalsContact O-N 3.12Å; Q397-S400 WeakPolarHBondContact O-CB 3.31Å; Q397-S400 PolarHBondContact O-N 3.02Å; Q397-S400 PolarHBondContact O-OG 3.4Å
398	W	92.4	Very high	94.9	Very high	4 Å²	4	55.4 Å²	55.4	2%	0.015	28%	0.277	C	S	.	.	G	3₁₀ helix	trans	-63.6	-18.4	176.4	-69.1	7.8	0	0	0	113.1	W349 A352 R353 E362 I394 P395 N396 S400 C401 L404 R405 M411	W349-W398 AromaticContact CD1-CH2 3.7Å; W349-W398 HydrophobicContact CG-CH2 4.41Å; A352-W398 HydrophobicContact CB-CE3 4.38Å; A352-W398 HydrophobicContact CB-CH2 3.46Å; A352-W398 VanDerWaalsContact CB-CH2 3.46Å; A352-W398 HydrophobicContact CB-CZ2 3.73Å; A352-W398 HydrophobicContact CB-CZ3 3.82Å; R353-W398 HydrophobicContact CG-CH2 4.42Å; R353-W398 HydrophobicContact CG-CZ2 3.91Å; E362-W398 PolarHBondContact OE2-NE1 2.97Å; E362-W398 VanDerWaalsContact OE2-NE1 3.11Å; I394-W398 HydrophobicContact CG1-CZ3 4.39Å; I394-W398 HydrophobicContact CG2-CD2 4.4Å; I394-W398 HydrophobicContact CG2-CE3 3.66Å; I394-W398 HydrophobicContact CG2-CZ3 4.06Å; P395-W398 HydrophobicContact CB-CG 4.36Å; P395-W398 HydrophobicContact CG-CD2 4.26Å; P395-W398 HydrophobicContact CG-CZ2 3.96Å; P395-W398 WeakPolarHBondContact O-CB 3.35Å; P395-W398 PolarHBondContact O-N 3.38Å; P395-W398 VanDerWaalsContact O-N 3.11Å; N396-W398 PolarHBondContact O-N 3.14Å; W398-S400 PolarHBondContact O-N 3.34Å; W398-C401 PolarHBondContact O-N 2.94Å; W398-C401 VanDerWaalsContact O-O 3.14Å; W398-L404 HydrophobicContact CB-CB 3.86Å; W398-L404 HydrophobicContact CB-CD1 4.4Å; W398-L404 HydrophobicContact CD2-CD2 4.21Å; W398-L404 HydrophobicContact CG-CB 4.15Å; W398-L404 HydrophobicContact CG-CD1 4.13Å; W398-L404 HydrophobicContact CG-CD2 4.28Å; W398-L404 HydrophobicContact CG-CG 4.45Å; W398-L404 WeakPolarHBondContact O-CB 3.19Å; W398-R405 PolarHBondContact O-N 3.41Å; W398-M411 HydrophobicContact CH2-CE 4.14Å; W398-M411 HydrophobicContact CH2-SD 4.33Å; W398-M411 HydrophobicContact CZ3-CE 3.65Å; W398-M411 HydrophobicContact CZ3-SD 3.77Å
399	Q	91.4	Very high	94.9	Very high	94 Å²	94	55.9 Å²	55.9	44%	0.439	28%	0.275	S	S	.	.	G	3₁₀ helix	trans	-68	-19.3	174.8	-59.3	-52.4	-50.2	0	0	113.2	N396 Q397 C401	N396-Q399 VanDerWaalsContact O-CB 3.32Å; N396-Q399 WeakPolarHBondContact O-CB 3.13Å; N396-Q399 WeakPolarHBondContact O-CG 3.25Å; N396-Q399 PolarHBondContact O-N 3.2Å; Q397-Q399 PolarHBondContact O-N 3.02Å; Q397-Q399 VanDerWaalsContact O-N 3.12Å; Q399-C401 VanDerWaalsContact C-N 3.28Å; Q399-C401 PolarHBondContact O-N 2.93Å
400	S	89.5	Confident	94.9	Very high	96 Å²	96	48.6 Å²	48.6	67%	0.671	24%	0.243	S	C	*	.	G	3₁₀ helix	trans	-73.9	-16.4	178.9	66.5	0	0	0	0	114	Q397 W398	Q397-S400 WeakPolarHBondContact O-CB 3.31Å; Q397-S400 PolarHBondContact O-N 3.02Å; Q397-S400 PolarHBondContact O-OG 3.4Å; W398-S400 PolarHBondContact O-N 3.34Å
401	C	92.8	Very high	95	Very high	17 Å²	17	43.5 Å²	43.5	12%	0.115	22%	0.221	C	C	.	.	S	Bend	trans	-121.2	127.8	-179.2	174.3	0	0	0	0	110.3	V357 W398 Q399 A403 L404 R405	V357-C401 HydrophobicContact CG1-CB 4.1Å; V357-C401 HydrophobicContact CG2-CB 4.12Å; W398-C401 PolarHBondContact O-N 2.94Å; W398-C401 VanDerWaalsContact O-O 3.14Å; Q399-C401 VanDerWaalsContact C-N 3.28Å; Q399-C401 PolarHBondContact O-N 2.93Å; C401-A403 VanDerWaalsContact C-N 3.33Å; C401-A403 PolarHBondContact O-N 2.94Å; C401-L404 HydrophobicContact CB-CB 4.1Å; C401-L404 HydrophobicContact CB-CD1 4.08Å; C401-L404 HydrophobicContact CB-CG 4.32Å; C401-L404 PolarHBondContact O-N 3Å; C401-R405 WeakPolarHBondContact O-CB 3.37Å; C401-R405 PolarHBondContact O-N 3.42Å
402	E	94	Very high	95	Very high	79 Å²	79	46.7 Å²	46.7	37%	0.369	23%	0.233	S	C	.	.	H	α-helix	trans	-59.2	-42.7	-179	-179.8	58.1	-162.6	0	0	112.6	R405 V406	E402-R405 WeakPolarHBondContact O-CB 3.25Å; E402-R405 PolarHBondContact O-N 2.88Å; E402-R405 IonicContact OE1-CZ 3.57Å; E402-R405 IonicContact OE1-NE 3.81Å; E402-R405 IonicContact OE1-NH2 2.72Å; E402-R405 PolarHBondContact OE1-NH2 3.43Å; E402-R405 IonicContact OE2-CZ 3.12Å; E402-R405 IonicContact OE2-NE 2.83Å; E402-R405 PolarHBondContact OE2-NE 3.27Å; E402-R405 IonicContact OE2-NH2 2.64Å; E402-R405 PolarHBondContact OE2-NH2 2.82Å; E402-V406 WeakPolarHBondContact O-CG2 3.32Å; E402-V406 PolarHBondContact O-N 2.74Å
403	A	95.3	Very high	95	Very high	6 Å²	6	49.1 Å²	49.1	5%	0.05	24%	0.244	C	C	.	.	H	α-helix	trans	-63.1	-46.9	-179.9	0	0	0	0	0	111.4	V239 M242 I243 C401 R405 V406 M407	V239-A403 HydrophobicContact CG1-CB 3.33Å; M242-A403 HydrophobicContact CE-CB 3.77Å; I243-A403 HydrophobicContact CD1-CB 4.16Å; C401-A403 VanDerWaalsContact C-N 3.33Å; C401-A403 PolarHBondContact O-N 2.94Å; A403-R405 VanDerWaalsContact C-N 3.34Å; A403-R405 PolarHBondContact O-N 3.48Å; A403-V406 PolarHBondContact O-N 3.34Å; A403-M407 VanDerWaalsContact O-CG 3.31Å; A403-M407 WeakPolarHBondContact O-CG 3.2Å; A403-M407 PolarHBondContact O-N 2.74Å
404	L	95.8	Very high	95.1	Very high	4 Å²	4	46.1 Å²	46.1	2%	0.021	22%	0.223	C	C	.	.	H	α-helix	trans	-65.1	-36	176.3	-76.5	172.9	0	0	0	112.4	M242 A352 C355 V357 W398 C401 M407 G408	M242-L404 HydrophobicContact CE-CD2 4.13Å; M242-L404 HydrophobicContact CE-CG 4.33Å; M242-L404 HydrophobicContact SD-CD2 3.54Å; M242-L404 VanDerWaalsContact SD-CD2 3.54Å; M242-L404 HydrophobicContact SD-CG 4.35Å; A352-L404 HydrophobicContact CB-CD2 3.84Å; C355-L404 HydrophobicContact CB-CD2 4.02Å; V357-L404 HydrophobicContact CG2-CD1 3.6Å; W398-L404 HydrophobicContact CB-CB 3.86Å; W398-L404 HydrophobicContact CB-CD1 4.4Å; W398-L404 HydrophobicContact CD2-CD2 4.21Å; W398-L404 HydrophobicContact CG-CB 4.15Å; W398-L404 HydrophobicContact CG-CD1 4.13Å; W398-L404 HydrophobicContact CG-CD2 4.28Å; W398-L404 HydrophobicContact CG-CG 4.45Å; W398-L404 WeakPolarHBondContact O-CB 3.19Å; C401-L404 HydrophobicContact CB-CB 4.1Å; C401-L404 HydrophobicContact CB-CD1 4.08Å; C401-L404 HydrophobicContact CB-CG 4.32Å; C401-L404 PolarHBondContact O-N 3Å; L404-M407 PolarHBondContact O-N 2.91Å; L404-G408 PolarHBondContact O-N 3.02Å
405	R	96.2	Very high	95.3	Very high	104 Å²	104	45 Å²	45	39%	0.392	22%	0.216	S	C	.	.	H	α-helix	trans	-61.4	-44.1	173.9	-173.5	177.1	72.7	100.5	-1.2	111.8	W398 C401 E402 A403 G408 R409	W398-R405 PolarHBondContact O-N 3.41Å; C401-R405 WeakPolarHBondContact O-CB 3.37Å; C401-R405 PolarHBondContact O-N 3.42Å; E402-R405 WeakPolarHBondContact O-CB 3.25Å; E402-R405 PolarHBondContact O-N 2.88Å; E402-R405 IonicContact OE1-CZ 3.57Å; E402-R405 IonicContact OE1-NE 3.81Å; E402-R405 IonicContact OE1-NH2 2.72Å; E402-R405 PolarHBondContact OE1-NH2 3.43Å; E402-R405 IonicContact OE2-CZ 3.12Å; E402-R405 IonicContact OE2-NE 2.83Å; E402-R405 PolarHBondContact OE2-NE 3.27Å; E402-R405 IonicContact OE2-NH2 2.64Å; E402-R405 PolarHBondContact OE2-NH2 2.82Å; A403-R405 VanDerWaalsContact C-N 3.34Å; A403-R405 PolarHBondContact O-N 3.48Å; R405-G408 PolarHBondContact O-N 3.48Å; R405-R409 PolarHBondContact O-N 2.88Å
406	V	97.4	Very high	95.5	Very high	7 Å²	7	49.2 Å²	49.2	4%	0.042	23%	0.23	C	C	.	.	H	α-helix	trans	-68.5	-41.1	176.3	174.7	0	0	0	0	111.4	E402 A403 G408 R409 I410 T431 L435	E402-V406 WeakPolarHBondContact O-CG2 3.32Å; E402-V406 PolarHBondContact O-N 2.74Å; A403-V406 PolarHBondContact O-N 3.34Å; V406-G408 VanDerWaalsContact C-N 3.35Å; V406-G408 PolarHBondContact O-N 3.42Å; V406-R409 WeakPolarHBondContact O-CB 3.17Å; V406-R409 PolarHBondContact O-N 3.37Å; V406-I410 HydrophobicContact CG1-CD1 4.12Å; V406-I410 WeakPolarHBondContact O-CG1 3.4Å; V406-I410 PolarHBondContact O-N 3.1Å; V406-T431 HydrophobicContact CG1-CG2 4.01Å; V406-L435 HydrophobicContact CB-CD1 3.89Å; V406-L435 HydrophobicContact CB-CD2 4.02Å; V406-L435 HydrophobicContact CB-CG 4.44Å; V406-L435 HydrophobicContact CG1-CD1 3.66Å; V406-L435 HydrophobicContact CG1-CD2 4.16Å; V406-L435 HydrophobicContact CG1-CG 4.15Å; V406-L435 HydrophobicContact CG2-CD2 3.91Å
407	M	97.9	Very high	95.9	Very high	0 Å²	0	45.1 Å²	45.1	0%	0	22%	0.216	C	C	.	.	H	α-helix	trans	-59.2	-44.9	173.3	-71.1	-57.4	-66.2	0	0	111.6	M242 A246 Y348 A403 L404 R409 I410 M411 I432	M242-M407 HydrophobicContact CE-CG 3.89Å; M242-M407 HydrophobicContact SD-CG 4.03Å; A246-M407 HydrophobicContact CB-CE 3.72Å; A246-M407 HydrophobicContact CB-SD 4.24Å; Y348-M407 HydrophobicContact CD1-CE 4.07Å; Y348-M407 HydrophobicContact CD2-CE 3.92Å; Y348-M407 HydrophobicContact CG-CE 3.65Å; A403-M407 VanDerWaalsContact O-CG 3.31Å; A403-M407 WeakPolarHBondContact O-CG 3.2Å; A403-M407 PolarHBondContact O-N 2.74Å; L404-M407 PolarHBondContact O-N 2.91Å; M407-R409 VanDerWaalsContact C-N 3.31Å; M407-R409 PolarHBondContact O-N 2.87Å; M407-I410 PolarHBondContact O-N 2.74Å; M407-I410 HydrophobicContact SD-CD1 4.33Å; M407-M411 HydrophobicContact CB-CE 3.97Å; M407-M411 VanDerWaalsContact O-CG 3.32Å; M407-M411 WeakPolarHBondContact O-CG 3.45Å; M407-M411 PolarHBondContact O-N 3.45Å; M407-I432 HydrophobicContact SD-CD1 4.31Å; M407-I432 HydrophobicContact SD-CG1 4.47Å
408	G	97.7	Very high	96.3	Very high	0 Å²	0	46.4 Å²	46.4	0%	0	23%	0.226	C	C	.	.	H	α-helix	trans	-62.3	-34.3	175.8	0	0	0	0	0	113.4	L404 R405 V406 R412	L404-G408 PolarHBondContact O-N 3.02Å; R405-G408 PolarHBondContact O-N 3.48Å; V406-G408 VanDerWaalsContact C-N 3.35Å; V406-G408 PolarHBondContact O-N 3.42Å; G408-R412 WeakPolarHBondContact O-CG 3.47Å; G408-R412 PolarHBondContact O-N 2.97Å
409	R	97.9	Very high	96.6	Very high	102 Å²	102	46.7 Å²	46.7	39%	0.385	23%	0.23	S	C	.	.	H	α-helix	trans	-66	-47.4	171.3	-176	-177.1	65.5	-155.3	-3.4	111.5	R405 V406 M407 M411 R412 E413	R405-R409 PolarHBondContact O-N 2.88Å; V406-R409 WeakPolarHBondContact O-CB 3.17Å; V406-R409 PolarHBondContact O-N 3.37Å; M407-R409 VanDerWaalsContact C-N 3.31Å; M407-R409 PolarHBondContact O-N 2.87Å; R409-M411 VanDerWaalsContact C-N 3.31Å; R409-M411 PolarHBondContact O-N 2.58Å; R409-R412 PolarHBondContact O-N 3.25Å; R409-E413 WeakPolarHBondContact CD-OE1 3.47Å; R409-E413 VanDerWaalsContact CG-OE1 3.23Å; R409-E413 WeakPolarHBondContact CG-OE1 3.39Å; R409-E413 WeakPolarHBondContact O-CG 3.25Å; R409-E413 PolarHBondContact O-N 3.13Å
410	I	98.5	Very high	96.8	Very high	1 Å²	1	44.9 Å²	44.9	1%	0.005	23%	0.231	C	C	.	.	H	α-helix	trans	-56.3	-47.3	177.1	-69	168.6	0	0	0	110.2	Y348 V406 M407 R412 E413 C414 L423 I428 T431 I432	Y348-I410 HydrophobicContact CD2-CG2 3.91Å; Y348-I410 HydrophobicContact CE2-CG2 3.94Å; V406-I410 HydrophobicContact CG1-CD1 4.12Å; V406-I410 WeakPolarHBondContact O-CG1 3.4Å; V406-I410 PolarHBondContact O-N 3.1Å; M407-I410 PolarHBondContact O-N 2.74Å; M407-I410 HydrophobicContact SD-CD1 4.33Å; I410-R412 PolarHBondContact O-N 3.11Å; I410-E413 CarbonylContact O-C 3Å; I410-E413 PolarHBondContact O-N 3.32Å; I410-E413 VanDerWaalsContact O-N 3.16Å; I410-C414 PolarHBondContact O-N 3.35Å; I410-C414 PolarHBondContact O-SG 2.86Å; I410-L423 HydrophobicContact CG1-CD1 4.46Å; I410-L423 HydrophobicContact CG2-CD1 4.22Å; I410-I428 HydrophobicContact CG2-CD1 4.46Å; I410-I428 HydrophobicContact CG2-CG1 4.22Å; I410-I428 HydrophobicContact CG2-CG2 4.25Å; I410-T431 HydrophobicContact CD1-CG2 4.06Å; I410-T431 HydrophobicContact CG1-CG2 4.41Å; I410-I432 HydrophobicContact CD1-CD1 4.23Å; I410-I432 HydrophobicContact CD1-CG1 3.72Å
411	M	98.6	Very high	97.3	Very high	0 Å²	0	42.7 Å²	42.7	0%	0	22%	0.219	C	C	.	.	H	α-helix	trans	-56.6	-48.3	178.2	-68.1	172.3	-149.9	0	0	112.3	Y348 W349 A352 I394 W398 M407 R409 E413 C414 W415	Y348-M411 VanDerWaalsContact O-CE 3.31Å; Y348-M411 WeakPolarHBondContact O-CE 3.4Å; W349-M411 HydrophobicContact CB-CE 4.43Å; W349-M411 HydrophobicContact CB-SD 3.75Å; W349-M411 HydrophobicContact CG-SD 4.38Å; A352-M411 HydrophobicContact CB-CE 3.55Å; I394-M411 HydrophobicContact CD1-CB 4.47Å; W398-M411 HydrophobicContact CH2-CE 4.14Å; W398-M411 HydrophobicContact CH2-SD 4.33Å; W398-M411 HydrophobicContact CZ3-CE 3.65Å; W398-M411 HydrophobicContact CZ3-SD 3.77Å; M407-M411 HydrophobicContact CB-CE 3.97Å; M407-M411 VanDerWaalsContact O-CG 3.32Å; M407-M411 WeakPolarHBondContact O-CG 3.45Å; M407-M411 PolarHBondContact O-N 3.45Å; R409-M411 VanDerWaalsContact C-N 3.31Å; R409-M411 PolarHBondContact O-N 2.58Å; M411-E413 VanDerWaalsContact C-N 3.29Å; M411-E413 PolarHBondContact O-N 2.72Å; M411-C414 WeakPolarHBondContact O-CB 3.39Å; M411-C414 PolarHBondContact O-N 3.43Å; M411-C414 VanDerWaalsContact O-N 3.1Å; M411-W415 HydrophobicContact CB-CD2 4.35Å; M411-W415 HydrophobicContact CB-CE3 4.22Å; M411-W415 HydrophobicContact CB-CH2 3.86Å; M411-W415 HydrophobicContact CB-CZ2 3.98Å; M411-W415 HydrophobicContact CB-CZ3 4Å; M411-W415 HydrophobicContact CG-CH2 4.25Å; M411-W415 HydrophobicContact CG-CZ2 4.22Å; M411-W415 WeakPolarHBondContact O-CB 3.34Å; M411-W415 VanDerWaalsContact O-CD2 3.3Å; M411-W415 PolarHBondContact O-N 3.31Å; M411-W415 HydrophobicContact SD-CH2 4.05Å; M411-W415 HydrophobicContact SD-CZ2 4.42Å
412	R	98.4	Very high	97.5	Very high	118 Å²	118	42.7 Å²	42.7	45%	0.445	22%	0.216	S	C	.	.	H	α-helix	trans	-58.8	-41.9	177.3	-74.1	-174.3	-69.6	-114.6	1.2	112.1	I394 G408 R409 I410 C414 W415	I394-R412 HydrophobicContact CD1-CG 3.83Å; G408-R412 WeakPolarHBondContact O-CG 3.47Å; G408-R412 PolarHBondContact O-N 2.97Å; R409-R412 PolarHBondContact O-N 3.25Å; I410-R412 PolarHBondContact O-N 3.11Å; R412-C414 VanDerWaalsContact C-N 3.32Å; R412-W415 PolarHBondContact O-N 2.92Å
413	E	98.5	Very high	97.8	Very high	55 Å²	55	40.1 Å²	40.1	26%	0.257	21%	0.205	S	C	.	.	H	α-helix	trans	-74.4	-20.9	178.6	-63.5	171.5	-170.3	0	0	112.8	R409 I410 M411 Y416 R422 L423	R409-E413 WeakPolarHBondContact CD-OE1 3.47Å; R409-E413 VanDerWaalsContact CG-OE1 3.23Å; R409-E413 WeakPolarHBondContact CG-OE1 3.39Å; R409-E413 WeakPolarHBondContact O-CG 3.25Å; R409-E413 PolarHBondContact O-N 3.13Å; I410-E413 CarbonylContact O-C 3Å; I410-E413 PolarHBondContact O-N 3.32Å; I410-E413 VanDerWaalsContact O-N 3.16Å; M411-E413 VanDerWaalsContact C-N 3.29Å; M411-E413 PolarHBondContact O-N 2.72Å; E413-Y416 HydrophobicContact CB-CE2 4.1Å; E413-Y416 HydrophobicContact CG-CE2 4.15Å; E413-Y416 WeakPolarHBondContact O-CD2 3.01Å; E413-R422 VanDerWaalsContact O-CA 3.29Å; E413-R422 WeakPolarHBondContact O-CA 3.33Å; E413-L423 HydrophobicContact CB-CD1 3.83Å; E413-L423 HydrophobicContact CB-CD2 4.37Å; E413-L423 HydrophobicContact CB-CG 3.72Å; E413-L423 WeakPolarHBondContact OE2-CD1 3.49Å; E413-L423 WeakPolarHBondContact OE2-CD2 3.26Å
414	C	98.8	Very high	97.9	Very high	0 Å²	0	43.3 Å²	43.3	0%	0	22%	0.224	C	C	.	.	H	α-helix	trans	-78.3	-28.3	169.3	-70.5	0	0	0	0	112.9	I341 Y342 I410 M411 R412 R422	I341-C414 HydrophobicContact CG2-CB 4.04Å; I341-C414 WeakPolarHBondContact O-CB 3.28Å; Y342-C414 WeakPolarHBondContact CA-O 3.26Å; I410-C414 PolarHBondContact O-N 3.35Å; I410-C414 PolarHBondContact O-SG 2.86Å; M411-C414 WeakPolarHBondContact O-CB 3.39Å; M411-C414 PolarHBondContact O-N 3.43Å; M411-C414 VanDerWaalsContact O-N 3.1Å; R412-C414 VanDerWaalsContact C-N 3.32Å; C414-R422 WeakPolarHBondContact O-CD 3.35Å; C414-R422 WeakPolarHBondContact O-CG 3.19Å; C414-R422 PolarHBondContact O-NE 2.99Å
415	W	98.1	Very high	98	Very high	11 Å²	11	43.3 Å²	43.3	4%	0.042	23%	0.225	C	C	.	.	S	Bend	trans	-94.9	6.3	-170	-68	-21	0	0	0	115.8	Y342 G345 L346 W349 R391 P392 I394 M411 R412 A417	Y342-W415 AromaticContact CD2-CD1 3.95Å; Y342-W415 HydrophobicContact CE2-CB 4.45Å; Y342-W415 HydrophobicContact CE2-CG 4.46Å; G345-W415 VanDerWaalsContact O-CZ2 3.27Å; G345-W415 WeakPolarHBondContact O-CZ2 3.29Å; L346-W415 HydrophobicContact CD2-CZ2 3.89Å; L346-W415 VanDerWaalsContact N-NE1 3.17Å; W349-W415 HydrophobicContact CB-CH2 3.83Å; W349-W415 HydrophobicContact CB-CZ2 3.78Å; W349-W415 AromaticContact CD1-CH2 3.83Å; W349-W415 HydrophobicContact CG-CH2 4Å; W349-W415 HydrophobicContact CG-CZ2 4.37Å; R391-W415 HydrophobicContact CB-CD2 4.44Å; R391-W415 HydrophobicContact CB-CE3 3.78Å; R391-W415 HydrophobicContact CB-CZ3 4.17Å; R391-W415 HydrophobicContact CG-CB 4.17Å; R391-W415 HydrophobicContact CG-CE3 4.16Å; R391-W415 PolarHBondContact NE-O 3.01Å; R391-W415 PolarHBondContact NH2-O 3.38Å; P392-W415 HydrophobicContact CB-CH2 3.95Å; P392-W415 HydrophobicContact CB-CZ3 4.49Å; P392-W415 HydrophobicContact CG-CH2 4Å; P392-W415 HydrophobicContact CG-CZ2 4.12Å; I394-W415 HydrophobicContact CD1-CZ3 4.3Å; I394-W415 HydrophobicContact CG1-CZ3 4.35Å; M411-W415 HydrophobicContact CB-CD2 4.35Å; M411-W415 HydrophobicContact CB-CE3 4.22Å; M411-W415 HydrophobicContact CB-CH2 3.86Å; M411-W415 HydrophobicContact CB-CZ2 3.98Å; M411-W415 HydrophobicContact CB-CZ3 4Å; M411-W415 HydrophobicContact CG-CH2 4.25Å; M411-W415 HydrophobicContact CG-CZ2 4.22Å; M411-W415 WeakPolarHBondContact O-CB 3.34Å; M411-W415 VanDerWaalsContact O-CD2 3.3Å; M411-W415 PolarHBondContact O-N 3.31Å; M411-W415 HydrophobicContact SD-CH2 4.05Å; M411-W415 HydrophobicContact SD-CZ2 4.42Å; R412-W415 PolarHBondContact O-N 2.92Å; W415-A417 PolarHBondContact O-N 3.22Å
416	Y	98.4	Very high	98.1	Very high	111 Å²	111	42.7 Å²	42.7	44%	0.435	23%	0.229	S	C	.	.			trans	-52.5	136.8	174.4	-74.5	-55.4	0	0	0	111.4	E413 N418 A421 R422	E413-Y416 HydrophobicContact CB-CE2 4.1Å; E413-Y416 HydrophobicContact CG-CE2 4.15Å; E413-Y416 WeakPolarHBondContact O-CD2 3.01Å; Y416-N418 VanDerWaalsContact C-N 3.33Å; Y416-A421 HydrophobicContact CD2-CB 3.87Å; Y416-A421 WeakPolarHBondContact CD2-O 3.28Å; Y416-A421 HydrophobicContact CE2-CB 4.48Å; Y416-A421 HydrophobicContact CG-CB 4.1Å; Y416-R422 PolarHBondContact O-NE 3.09Å; Y416-R422 PolarHBondContact O-NH2 2.74Å
417	A	97.4	Very high	98.2	Very high	60 Å²	60	49.4 Å²	49.4	50%	0.496	25%	0.253	S	S	.	.	S	Bend	trans	-61	-44.8	174.8	0	0	0	0	0	110.8	W415 G419 R422	W415-A417 PolarHBondContact O-N 3.22Å; A417-G419 PolarHBondContact O-N 2.85Å; A417-R422 PolarHBondContact O-NH2 2.73Å
418	N	97.7	Very high	98.2	Very high	106 Å²	106	49.5 Å²	49.5	57%	0.567	25%	0.254	S	S	*	.	S	Bend	trans	-73.9	109.7	171.2	-177.1	-2.8	0	0	0	110.4	Y416 A420 A421	Y416-N418 VanDerWaalsContact C-N 3.33Å; N418-A420 PolarHBondContact O-N 3.34Å; N418-A420 WeakPolarHBondContact OD1-CB 3.4Å; N418-A420 PolarHBondContact OD1-N 3.3Å; N418-A421 HydrophobicContact CB-CB 4.48Å; N418-A421 PolarHBondContact O-N 3.03Å; N418-A421 VanDerWaalsContact O-N 3.08Å
419	G	97.4	Very high	98.3	Very high	10 Å²	10	52.6 Å²	52.6	10%	0.103	27%	0.267	C	S	.	.	G	3₁₀ helix	trans	-55.5	-31.9	176.9	0	0	0	0	0	114.1	R338 A417 A421 R422	R338-G419 VanDerWaalsContact CD-C 3.45Å; R338-G419 WeakPolarHBondContact CD-O 3.34Å; R338-G419 VanDerWaalsContact CG-O 3.26Å; R338-G419 WeakPolarHBondContact CG-O 3.22Å; A417-G419 PolarHBondContact O-N 2.85Å; G419-A421 PolarHBondContact O-N 2.8Å; G419-R422 WeakPolarHBondContact O-CB 3.23Å; G419-R422 PolarHBondContact O-N 3.15Å; G419-R422 VanDerWaalsContact O-N 3.14Å
420	A	97.5	Very high	98.3	Very high	55 Å²	55	53.6 Å²	53.6	46%	0.455	27%	0.274	S	S	.	.	G	3₁₀ helix	trans	-68.5	-20	179.9	0	0	0	0	0	113.9	N418 R422	N418-A420 PolarHBondContact O-N 3.34Å; N418-A420 WeakPolarHBondContact OD1-CB 3.4Å; N418-A420 PolarHBondContact OD1-N 3.3Å; A420-R422 VanDerWaalsContact C-N 3.34Å
421	A	98.1	Very high	98.2	Very high	51 Å²	51	54.2 Å²	54.2	42%	0.421	28%	0.278	S	S	.	.	G	3₁₀ helix	trans	-86.6	-7	176	0	0	0	0	0	112.9	Y416 N418 G419	Y416-A421 HydrophobicContact CD2-CB 3.87Å; Y416-A421 WeakPolarHBondContact CD2-O 3.28Å; Y416-A421 HydrophobicContact CE2-CB 4.48Å; Y416-A421 HydrophobicContact CG-CB 4.1Å; N418-A421 HydrophobicContact CB-CB 4.48Å; N418-A421 PolarHBondContact O-N 3.03Å; N418-A421 VanDerWaalsContact O-N 3.08Å; G419-A421 PolarHBondContact O-N 2.8Å
422	R	98.7	Very high	98.1	Very high	16 Å²	16	54.2 Å²	54.2	6%	0.06	28%	0.278	C	S	.	.	S	Bend	trans	-73.6	151.8	-178.1	-61.6	178.2	-169.1	143.4	14	111.5	E322 R338 I341 E413 C414 Y416 A417 G419 A420	E322-R422 IonicContact OE1-CZ 2.95Å; E322-R422 IonicContact OE1-NH1 3.59Å; E322-R422 PolarHBondContact OE1-NH1 3.28Å; E322-R422 IonicContact OE1-NH2 2.66Å; E322-R422 PolarHBondContact OE1-NH2 3.23Å; E322-R422 IonicContact OE2-CZ 3.88Å; E322-R422 IonicContact OE2-NH1 2.7Å; E322-R422 IonicContact OE2-NH2 3.92Å; E322-R422 PolarHBondContact OE2-NH2 2.88Å; R338-R422 VanDerWaalsContact C-NH1 3.3Å; R338-R422 WeakPolarHBondContact O-CD 3.48Å; R338-R422 PolarHBondContact O-NH1 3.01Å; I341-R422 HydrophobicContact CG2-CB 4.03Å; E413-R422 VanDerWaalsContact O-CA 3.29Å; E413-R422 WeakPolarHBondContact O-CA 3.33Å; C414-R422 WeakPolarHBondContact O-CD 3.35Å; C414-R422 WeakPolarHBondContact O-CG 3.19Å; C414-R422 PolarHBondContact O-NE 2.99Å; Y416-R422 PolarHBondContact O-NE 3.09Å; Y416-R422 PolarHBondContact O-NH2 2.74Å; A417-R422 PolarHBondContact O-NH2 2.73Å; G419-R422 WeakPolarHBondContact O-CB 3.23Å; G419-R422 PolarHBondContact O-N 3.15Å; G419-R422 VanDerWaalsContact O-N 3.14Å; A420-R422 VanDerWaalsContact C-N 3.34Å
423	L	98.5	Very high	97.9	Very high	26 Å²	26	50.7 Å²	50.7	14%	0.136	27%	0.272	C	S	.	.	P	Polyproline II helix	trans	-60.2	155.8	171.3	-65.8	176.6	0	0	0	111.7	I341 I410 E413 R427 I428	I341-L423 WeakPolarHBondContact CG1-O 3.06Å; I341-L423 VanDerWaalsContact CG2-O 3.29Å; I341-L423 WeakPolarHBondContact CG2-O 3.33Å; I410-L423 HydrophobicContact CG1-CD1 4.46Å; I410-L423 HydrophobicContact CG2-CD1 4.22Å; E413-L423 HydrophobicContact CB-CD1 3.83Å; E413-L423 HydrophobicContact CB-CD2 4.37Å; E413-L423 HydrophobicContact CB-CG 3.72Å; E413-L423 WeakPolarHBondContact OE2-CD1 3.49Å; E413-L423 WeakPolarHBondContact OE2-CD2 3.26Å; L423-R427 HydrophobicContact CD2-CG 3.83Å; L423-I428 HydrophobicContact CB-CD1 4.11Å; L423-I428 HydrophobicContact CB-CG1 3.79Å; L423-I428 HydrophobicContact CD1-CG1 3.81Å; L423-I428 HydrophobicContact CG-CG1 4.48Å
424	T	98.7	Very high	97.6	Very high	73 Å²	73	54.1 Å²	54.1	45%	0.448	29%	0.288	S	S	.	.	P	Polyproline II helix	trans	-89.4	154	165.5	64.7	0	0	0	0	110.4	L426 R427 I428	T424-L426 PolarHBondContact O-N 2.7Å; T424-R427 WeakPolarHBondContact O-CB 3.34Å; T424-R427 PolarHBondContact O-N 3.42Å; T424-R427 WeakPolarHBondContact OG1-CB 3.4Å; T424-R427 PolarHBondContact OG1-N 3.05Å; T424-I428 WeakPolarHBondContact O-CG1 3.42Å; T424-I428 PolarHBondContact O-N 2.75Å
425	A	98.6	Very high	97.1	Very high	3 Å²	3	54.7 Å²	54.7	3%	0.025	29%	0.291	C	S	.	.	H	α-helix	trans	-56.6	-37.5	177	0	0	0	0	0	111.8	L253 A254 I341 R427 I428 K429	L253-A425 HydrophobicContact CB-CB 4.15Å; L253-A425 HydrophobicContact CD2-CB 4.12Å; L253-A425 HydrophobicContact CG-CB 3.99Å; A254-A425 HydrophobicContact CB-CB 3.95Å; I341-A425 HydrophobicContact CD1-CB 3.89Å; I341-A425 VanDerWaalsContact CD1-N 3.31Å; A425-R427 PolarHBondContact O-N 2.9Å; A425-I428 PolarHBondContact O-N 2.55Å; A425-K429 WeakPolarHBondContact O-CB 3.12Å; A425-K429 PolarHBondContact O-N 3Å
426	L	98.3	Very high	96.2	Very high	91 Å²	91	56.1 Å²	56.1	48%	0.476	30%	0.302	S	S	.	.	H	α-helix	trans	-64.3	-39	175.1	-176.6	61.4	0	0	0	112.6	T424 K429 K430	T424-L426 PolarHBondContact O-N 2.7Å; L426-K429 PolarHBondContact O-N 3.47Å; L426-K430 WeakPolarHBondContact O-CG 3.19Å; L426-K430 PolarHBondContact O-N 2.89Å
427	R	98.4	Very high	94.8	Very high	148 Å²	148	55.3 Å²	55.3	56%	0.558	31%	0.308	S	S	*	.	H	α-helix	trans	-67.9	-40	176.3	-179.4	58.7	177.7	-171.1	0.4	111.4	L423 T424 A425 K430 T431	L423-R427 HydrophobicContact CD2-CG 3.83Å; T424-R427 WeakPolarHBondContact O-CB 3.34Å; T424-R427 PolarHBondContact O-N 3.42Å; T424-R427 WeakPolarHBondContact OG1-CB 3.4Å; T424-R427 PolarHBondContact OG1-N 3.05Å; A425-R427 PolarHBondContact O-N 2.9Å; R427-K430 PolarHBondContact O-N 3.37Å; R427-T431 WeakPolarHBondContact O-CB 3.43Å; R427-T431 PolarHBondContact O-N 3.3Å; R427-T431 PolarHBondContact O-OG1 3.46Å
428	I	98.6	Very high	93.4	Very high	2 Å²	2	58.6 Å²	58.6	1%	0.01	31%	0.311	C	S	.	.	H	α-helix	trans	-59.9	-52.4	173.6	-65.6	171.4	0	0	0	109.7	A250 I341 Y348 I410 L423 T424 A425 K430 T431 I432	A250-I428 HydrophobicContact CB-CB 4.49Å; A250-I428 HydrophobicContact CB-CG2 3.86Å; I341-I428 HydrophobicContact CD1-CD1 4.07Å; I341-I428 HydrophobicContact CG2-CD1 4.27Å; Y348-I428 HydrophobicContact CE2-CG2 3.68Å; Y348-I428 WeakPolarHBondContact OH-CG2 3.13Å; I410-I428 HydrophobicContact CG2-CD1 4.46Å; I410-I428 HydrophobicContact CG2-CG1 4.22Å; I410-I428 HydrophobicContact CG2-CG2 4.25Å; L423-I428 HydrophobicContact CB-CD1 4.11Å; L423-I428 HydrophobicContact CB-CG1 3.79Å; L423-I428 HydrophobicContact CD1-CG1 3.81Å; L423-I428 HydrophobicContact CG-CG1 4.48Å; T424-I428 WeakPolarHBondContact O-CG1 3.42Å; T424-I428 PolarHBondContact O-N 2.75Å; A425-I428 PolarHBondContact O-N 2.55Å; I428-K430 VanDerWaalsContact C-N 3.35Å; I428-K430 PolarHBondContact O-N 2.88Å; I428-T431 PolarHBondContact O-N 3.12Å; I428-I432 HydrophobicContact CG2-CD1 3.67Å; I428-I432 HydrophobicContact CG2-CG1 4.33Å; I428-I432 WeakPolarHBondContact O-CG1 3.5Å; I428-I432 PolarHBondContact O-N 2.99Å
429	K	98.4	Very high	91.9	Very high	66 Å²	66	56.7 Å²	56.7	29%	0.287	30%	0.299	S	S	.	.	H	α-helix	trans	-50	-53.7	176.7	-179.7	-177.2	-179.3	159.7	0	111.1	L247 A250 S251 A425 L426 T431 I432 S433	L247-K429 HydrophobicContact CD1-CG 4.08Å; A250-K429 HydrophobicContact CB-CB 3.99Å; S251-K429 PolarHBondContact OG-NZ 3.28Å; A425-K429 WeakPolarHBondContact O-CB 3.12Å; A425-K429 PolarHBondContact O-N 3Å; L426-K429 PolarHBondContact O-N 3.47Å; K429-T431 VanDerWaalsContact C-N 3.31Å; K429-T431 PolarHBondContact O-N 3.35Å; K429-I432 PolarHBondContact O-N 2.95Å; K429-S433 WeakPolarHBondContact O-CB 3.43Å; K429-S433 PolarHBondContact O-N 3.45Å; K429-S433 PolarHBondContact O-OG 2.87Å
430	K	97.8	Very high	90	Very high	122 Å²	122	61.5 Å²	61.5	53%	0.53	32%	0.322	S	S	.	.	H	α-helix	trans	-58.1	-41.2	178.8	-74	-178.5	178	-175.7	0	112.7	L426 R427 I428 Q434	L426-K430 WeakPolarHBondContact O-CG 3.19Å; L426-K430 PolarHBondContact O-N 2.89Å; R427-K430 PolarHBondContact O-N 3.37Å; I428-K430 VanDerWaalsContact C-N 3.35Å; I428-K430 PolarHBondContact O-N 2.88Å; K430-Q434 WeakPolarHBondContact O-CG 3Å; K430-Q434 PolarHBondContact O-N 3.38Å
431	T	97.5	Very high	87.6	Confident	15 Å²	15	63.7 Å²	63.7	9%	0.092	33%	0.333	C	S	.	.	H	α-helix	trans	-67.2	-43.3	-179.1	-54.2	0	0	0	0	111.4	V406 I410 R427 I428 K429 Q434	V406-T431 HydrophobicContact CG1-CG2 4.01Å; I410-T431 HydrophobicContact CD1-CG2 4.06Å; I410-T431 HydrophobicContact CG1-CG2 4.41Å; R427-T431 WeakPolarHBondContact O-CB 3.43Å; R427-T431 PolarHBondContact O-N 3.3Å; R427-T431 PolarHBondContact O-OG1 3.46Å; I428-T431 PolarHBondContact O-N 3.12Å; K429-T431 VanDerWaalsContact C-N 3.31Å; K429-T431 PolarHBondContact O-N 3.35Å; T431-Q434 PolarHBondContact O-N 2.88Å
432	I	96.6	Very high	85	Confident	0 Å²	0	69.9 Å²	69.9	0%	0	35%	0.351	C	S	.	.	H	α-helix	trans	-72.6	-37.2	179.3	-59.4	174.3	0	0	0	111	I243 A246 L247 Y348 M407 I410 I428 K429 Q434 L435 C436	I243-I432 HydrophobicContact CG2-CG2 3.9Å; A246-I432 HydrophobicContact CB-CD1 3.92Å; L247-I432 HydrophobicContact CB-CG2 3.74Å; L247-I432 HydrophobicContact CD1-CB 4.2Å; L247-I432 HydrophobicContact CD1-CG2 4.22Å; L247-I432 HydrophobicContact CG-CG2 4.46Å; Y348-I432 HydrophobicContact CE2-CD1 4.26Å; M407-I432 HydrophobicContact SD-CD1 4.31Å; M407-I432 HydrophobicContact SD-CG1 4.47Å; I410-I432 HydrophobicContact CD1-CD1 4.23Å; I410-I432 HydrophobicContact CD1-CG1 3.72Å; I428-I432 HydrophobicContact CG2-CD1 3.67Å; I428-I432 HydrophobicContact CG2-CG1 4.33Å; I428-I432 WeakPolarHBondContact O-CG1 3.5Å; I428-I432 PolarHBondContact O-N 2.99Å; K429-I432 PolarHBondContact O-N 2.95Å; I432-Q434 PolarHBondContact O-N 3.23Å; I432-L435 WeakPolarHBondContact O-CA 2.98Å; I432-L435 VanDerWaalsContact O-CB 3.31Å; I432-L435 WeakPolarHBondContact O-CB 3.33Å; I432-L435 PolarHBondContact O-N 3.21Å; I432-C436 PolarHBondContact O-N 3.28Å
433	S	94.2	Very high	82.4	Confident	44 Å²	44	75.8 Å²	75.8	31%	0.308	40%	0.403	S	S	.	.	H	α-helix	trans	-58	-36.7	173.8	-64	0	0	0	0	112.5	L247 K429 L435 C436 V437	L247-S433 WeakPolarHBondContact CD1-OG 3.37Å; K429-S433 WeakPolarHBondContact O-CB 3.43Å; K429-S433 PolarHBondContact O-N 3.45Å; K429-S433 PolarHBondContact O-OG 2.87Å; S433-L435 VanDerWaalsContact C-N 3.26Å; S433-L435 PolarHBondContact O-N 2.97Å; S433-C436 WeakPolarHBondContact O-CB 3.02Å; S433-C436 PolarHBondContact O-N 3.48Å; S433-V437 PolarHBondContact O-N 3.46Å
434	Q	92	Very high	81.6	Confident	126 Å²	126	78.3 Å²	78.3	59%	0.589	42%	0.417	S	S	*	.	H	α-helix	trans	-68	-23.7	175.2	-71.3	173	-4.6	0	0	113.3	K430 T431 I432 K438	K430-Q434 WeakPolarHBondContact O-CG 3Å; K430-Q434 PolarHBondContact O-N 3.38Å; T431-Q434 PolarHBondContact O-N 2.88Å; I432-Q434 PolarHBondContact O-N 3.23Å; Q434-K438 WeakPolarHBondContact O-CG 3.08Å
435	L	88.3	Confident	80.7	Confident	12 Å²	12	78.6 Å²	78.6	6%	0.063	42%	0.415	C	S	.	.	H	α-helix	trans	-73.2	-41.5	171.7	-67.5	174.5	0	0	0	111.5	I243 V406 I432 S433 V437 K438 E439	I243-L435 HydrophobicContact CD1-CB 4.18Å; V406-L435 HydrophobicContact CB-CD1 3.89Å; V406-L435 HydrophobicContact CB-CD2 4.02Å; V406-L435 HydrophobicContact CB-CG 4.44Å; V406-L435 HydrophobicContact CG1-CD1 3.66Å; V406-L435 HydrophobicContact CG1-CD2 4.16Å; V406-L435 HydrophobicContact CG1-CG 4.15Å; V406-L435 HydrophobicContact CG2-CD2 3.91Å; I432-L435 WeakPolarHBondContact O-CA 2.98Å; I432-L435 VanDerWaalsContact O-CB 3.31Å; I432-L435 WeakPolarHBondContact O-CB 3.33Å; I432-L435 PolarHBondContact O-N 3.21Å; S433-L435 VanDerWaalsContact C-N 3.26Å; S433-L435 PolarHBondContact O-N 2.97Å; L435-V437 PolarHBondContact O-N 3.49Å; L435-K438 PolarHBondContact O-N 3.07Å; L435-K438 VanDerWaalsContact O-N 3.1Å; L435-E439 PolarHBondContact O-N 3.2Å; L435-E439 VanDerWaalsContact O-N 3.15Å
436	C	78.9	Confident	79.7	Confident	42 Å²	42	82.8 Å²	82.8	28%	0.284	44%	0.437	S	S	.	.	H	α-helix	trans	-55.5	-50.5	178.8	-164.9	0	0	0	0	111.2	I243 I432 S433 K438 E439 D440	I243-C436 HydrophobicContact CG2-CB 4.26Å; I432-C436 PolarHBondContact O-N 3.28Å; S433-C436 WeakPolarHBondContact O-CB 3.02Å; S433-C436 PolarHBondContact O-N 3.48Å; C436-K438 PolarHBondContact O-N 3.18Å; C436-E439 PolarHBondContact O-N 3.28Å; C436-E439 VanDerWaalsContact O-N 3.07Å; C436-D440 PolarHBondContact O-N 3.37Å
437	V	69.8	Low	78.6	Confident	93 Å²	93	82.3 Å²	82.3	56%	0.564	43%	0.434	S	S	*	.	H	α-helix	trans	-58.4	-34.3	178.9	178.3	0	0	0	0	112.2	S433 L435 C441	S433-V437 PolarHBondContact O-N 3.46Å; L435-V437 PolarHBondContact O-N 3.49Å; V437-C441 PolarHBondContact O-N 2.65Å; V437-C441 PolarHBondContact O-SG 2Å
438	K	68.1	Low	77.3	Confident	129 Å²	129	78.2 Å²	78.2	56%	0.561	43%	0.427	S	S	*	.	H	α-helix	trans	-76.1	-26.6	179.7	-73.3	179.1	178.3	-176.7	0	113.6	Q434 L435 C436 K442	Q434-K438 WeakPolarHBondContact O-CG 3.08Å; L435-K438 PolarHBondContact O-N 3.07Å; L435-K438 VanDerWaalsContact O-N 3.1Å; C436-K438 PolarHBondContact O-N 3.18Å; K438-K442 WeakPolarHBondContact O-CG 3.2Å
439	E	64.8	Low	75.9	Confident	67 Å²	67	83.3 Å²	83.3	31%	0.313	45%	0.454	S	S	.	.	H	α-helix	trans	-77.1	-41.2	173.2	-68.8	-137.3	138.3	0	0	111	V239 I243 L435 C436 C441 K442 A443	V239-E439 WeakPolarHBondContact CG1-OE1 3.47Å; I243-E439 HydrophobicContact CD1-CG 4.08Å; L435-E439 PolarHBondContact O-N 3.2Å; L435-E439 VanDerWaalsContact O-N 3.15Å; C436-E439 PolarHBondContact O-N 3.28Å; C436-E439 VanDerWaalsContact O-N 3.07Å; E439-C441 PolarHBondContact O-N 2.04Å; E439-K442 PolarHBondContact O-N 3.36Å; E439-A443 PolarHBondContact O-N 3.23Å
440	D	59	Low	74.3	Confident	110 Å²	110	84.5 Å²	84.5	59%	0.588	47%	0.466	S	S	*	.	H	α-helix	trans	-62.9	-27.6	177.4	-64.3	-29.4	0	0	0	112.4	C436 K442	C436-D440 PolarHBondContact O-N 3.37Å; D440-K442 VanDerWaalsContact C-N 3.32Å
441	C	45.6	Very low	72.5	Confident	102 Å²	102	81.6 Å²	81.6	69%	0.689	46%	0.461	S	S	*	.	T	Hydrogen-bonded Turn	trans	-79.7	-7.4	172.9	-65.2	0	0	0	0	114.6	V437 E439	V437-C441 PolarHBondContact O-N 2.65Å; V437-C441 PolarHBondContact O-SG 2Å; E439-C441 PolarHBondContact O-N 2.04Å
442	K	45.3	Very low	70.4	Confident	180 Å²	180	87.2 Å²	87.2	78%	0.783	49%	0.492	S	S	*	.	T	Hydrogen-bonded Turn	trans	-108.7	-15	-179.6	-74.1	-178.2	178.1	-175.1	0	113.4	K438 E439 D440	K438-K442 WeakPolarHBondContact O-CG 3.2Å; E439-K442 PolarHBondContact O-N 3.36Å; D440-K442 VanDerWaalsContact C-N 3.32Å
443	A	42.3	Very low	68	Low	141 Å²	141	95.1 Å²	95.1	100%	1.165	54%	0.537	S	S	*	.			trans	-82.5	0	167.1	0	0	0	0	0	109.9	E439	E439-A443 PolarHBondContact O-N 3.23Å

Retrieved 443 of 443 residues in 90.3 ms (Link to these results)

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