A0A3B3U2D2_9TELE Loading...

Guanine nucleotide-binding protein G(s) subunit alpha

Guanine nucleotide-binding proteins (G proteins) function as transducers in numerous signaling pathways controlled by G protein-coupled receptors (GPCRs).

AlphaFold DB , UniProt , Accession A0A3B3U2D2, Species 9TELE (Poecilia latipinna, sailfin molly), Gene n/a, Length 391 aa.

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(Predicted Aligned Error values between residue pairs)

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Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	39	Very low	39.9	Very low	247 Å²	247	169.2 Å²	169.2	100%	1.217	85%	0.854	S	S	*	*				0	123.5	0	-150.8	165	172	0	0	106.7
2	Q	39.7	Very low	39.9	Very low	189 Å²	189	170.7 Å²	170.7	88%	0.883	86%	0.855	S	S	*	*			trans	-53	146.8	-171.2	-74.4	159.8	-38	0	0	113.3
3	I	36.7	Very low	40.2	Very low	158 Å²	158	172.1 Å²	172.1	81%	0.81	86%	0.861	S	S	*	*				-158.3	118.2	123.5	-87	143.3	0	0	0	106.9
4	R	37.4	Very low	40.1	Very low	216 Å²	216	164.2 Å²	164.2	82%	0.815	85%	0.845	S	S	*	*			trans	-77.8	120.8	169.3	-79.8	-179.7	172.7	-178.6	-3	108
5	L	38.4	Very low	40.6	Very low	168 Å²	168	162 Å²	162	88%	0.88	85%	0.848	S	S	*	*			trans	-87.4	111.4	161.4	-90.7	122.5	0	0	0	108.3
6	F	42.2	Very low	40.9	Very low	169 Å²	169	162.2 Å²	162.2	74%	0.741	85%	0.849	S	S	*	*	P	Polyproline II helix	trans	-84.7	133.2	166.6	-97.9	-87.2	0	0	0	109.5
7	S	40.8	Very low	41.4	Very low	112 Å²	112	156.5 Å²	156.5	78%	0.783	84%	0.839	S	S	*	*	P	Polyproline II helix	trans	-65.8	129.4	177.8	50.8	0	0	0	0	113.1
8	L	40.7	Very low	41.9	Very low	167 Å²	167	156.9 Å²	156.9	87%	0.874	84%	0.841	S	S	*	*	P	Polyproline II helix	trans	-94.7	144.7	160	-77.8	162.1	0	0	0	109.3
9	P	43.2	Very low	42.9	Very low	104 Å²	104	153.8 Å²	153.8	68%	0.675	83%	0.833	S	S	*	*	P	Polyproline II helix	trans	-73.1	158.7	-178.9	32.7	-34.5	0	0	0	111.4	F11	P9-F11 PolarHBondContact O-N 3.07Å
10	P	42.3	Very low	43.9	Very low	124 Å²	124	150.9 Å²	150.9	81%	0.805	81%	0.812	S	S	*	*	P	Polyproline II helix	trans	-68	127.7	178.6	28	-32	0	0	0	110.3	E12	P10-E12 PolarHBondContact O-N 3.15Å
11	F	38.3	Very low	45.5	Very low	207 Å²	207	147.3 Å²	147.3	91%	0.908	80%	0.795	S	S	*	*			trans	-63.4	114.6	163.2	-99	-97.4	0	0	0	108.2	P9 M13	P9-F11 PolarHBondContact O-N 3.07Å; F11-M13 PolarHBondContact O-N 3.29Å; F11-M13 VanDerWaalsContact O-N 3.14Å
12	E	40.6	Very low	47.2	Very low	187 Å²	187	143 Å²	143	87%	0.874	77%	0.772	S	S	*	*			trans	-58.8	113.5	162.7	-81.8	-177.6	149.4	0	0	108.7	P10 G14	P10-E12 PolarHBondContact O-N 3.15Å; E12-G14 PolarHBondContact O-N 2.82Å
13	M	43.8	Very low	49	Very low	189 Å²	189	139.4 Å²	139.4	93%	0.931	76%	0.759	S	S	*	*			trans	-70.5	84.6	163.1	-115.4	-176.7	-152.7	0	0	107.6	F11 C15	F11-M13 PolarHBondContact O-N 3.29Å; F11-M13 VanDerWaalsContact O-N 3.14Å; M13-C15 PolarHBondContact O-N 2.84Å
14	G	38.8	Very low	50.9	Low	62 Å²	62	136.4 Å²	136.4	64%	0.639	74%	0.741	S	S	*	*			trans	-62.4	101.7	166.6	0	0	0	0	0	109.4	E12 L16	E12-G14 PolarHBondContact O-N 2.82Å; G14-L16 PolarHBondContact O-N 3.23Å
15	C	47.7	Very low	53	Low	131 Å²	131	133.1 Å²	133.1	89%	0.885	73%	0.729	S	S	*	*			trans	-65.3	86.7	161.7	-81.9	0	0	0	0	108.6	M13 G17	M13-C15 PolarHBondContact O-N 2.84Å; C15-G17 VanDerWaalsContact C-N 3.33Å; C15-G17 PolarHBondContact O-N 3.19Å
16	L	44.3	Very low	55.1	Low	165 Å²	165	129.8 Å²	129.8	86%	0.864	71%	0.712	S	S	*	*			trans	-69	93.5	164.7	-87	145.7	0	0	0	108.1	G14 N18	G14-L16 PolarHBondContact O-N 3.23Å; L16-N18 PolarHBondContact O-N 3.15Å; L16-N18 VanDerWaalsContact O-N 3.13Å
17	G	49.9	Very low	57.3	Low	65 Å²	65	128.2 Å²	128.2	67%	0.67	71%	0.707	S	S	*	*			trans	-59.6	111.6	165.2	0	0	0	0	0	109.2	C15 S19	C15-G17 VanDerWaalsContact C-N 3.33Å; C15-G17 PolarHBondContact O-N 3.19Å; G17-S19 PolarHBondContact O-N 3.25Å
18	N	50.8	Low	59.4	Low	164 Å²	164	125.8 Å²	125.8	88%	0.877	68%	0.683	S	S	*	*			trans	-65.5	82.7	172.2	-112.1	6.3	0	0	0	109.6	L16 K20	L16-N18 PolarHBondContact O-N 3.15Å; L16-N18 VanDerWaalsContact O-N 3.13Å; N18-K20 PolarHBondContact O-N 3.22Å; N18-K20 VanDerWaalsContact O-N 3.14Å
19	S	60.8	Low	61.7	Low	98 Å²	98	123.9 Å²	123.9	69%	0.685	67%	0.668	S	S	*	*			trans	-74.8	98.6	169	58.4	0	0	0	0	108.4	G17 T21	G17-S19 PolarHBondContact O-N 3.25Å; S19-T21 PolarHBondContact O-N 3.3Å
20	K	62.9	Low	63.9	Low	95 Å²	95	121.6 Å²	121.6	41%	0.413	66%	0.658	S	S	.	*			trans	-49.7	134.6	171.8	-60.4	-173.2	-173	-174.8	0	110	N18 Q24 R25 E28	N18-K20 PolarHBondContact O-N 3.22Å; N18-K20 VanDerWaalsContact O-N 3.14Å; K20-Q24 HydrophobicContact CB-CB 4.28Å; K20-R25 HydrophobicContact CB-CG 4.12Å; K20-E28 IonicContact NZ-OE1 2.59Å; K20-E28 PolarHBondContact NZ-OE1 3.11Å; K20-E28 IonicContact NZ-OE2 2.83Å; K20-E28 PolarHBondContact NZ-OE2 3.24Å
21	T	77.9	Confident	66.2	Low	76 Å²	76	121.5 Å²	121.5	47%	0.466	65%	0.647	S	S	.	*			trans	-61.3	154.8	176.6	54.9	0	0	0	0	110.5	S19 D23 Q24 R25	S19-T21 PolarHBondContact O-N 3.3Å; T21-D23 PolarHBondContact O-N 2.92Å; T21-Q24 WeakPolarHBondContact O-CB 3.32Å; T21-Q24 PolarHBondContact O-N 3.49Å; T21-Q24 VanDerWaalsContact O-N 3.11Å; T21-Q24 VanDerWaalsContact OG1-CG 3.25Å; T21-Q24 WeakPolarHBondContact OG1-CG 3.39Å; T21-Q24 PolarHBondContact OG1-N 3.27Å; T21-R25 PolarHBondContact O-N 2.97Å
22	E	74.8	Confident	68.7	Low	156 Å²	156	120.2 Å²	120.2	73%	0.729	64%	0.636	S	S	*	*	H	α-helix	trans	-57.2	-36.7	178.5	-78.7	-170.5	148.8	0	0	112.1	R25 N26	E22-R25 PolarHBondContact O-N 2.85Å; E22-N26 WeakPolarHBondContact O-CB 3.4Å; E22-N26 PolarHBondContact O-N 2.71Å; E22-N26 PolarHBondContact O-ND2 2.93Å
23	D	76.7	Confident	71.2	Confident	114 Å²	114	116 Å²	116	61%	0.61	62%	0.616	S	S	*	*	H	α-helix	trans	-62.6	-44.1	174.8	-65.9	-29.2	0	0	0	112.2	T21 R25 N26 E27	T21-D23 PolarHBondContact O-N 2.92Å; D23-R25 VanDerWaalsContact C-N 3.31Å; D23-R25 PolarHBondContact O-N 3.02Å; D23-N26 PolarHBondContact O-N 2.87Å; D23-E27 WeakPolarHBondContact O-CB 3.45Å; D23-E27 WeakPolarHBondContact O-CG 3.36Å; D23-E27 PolarHBondContact O-N 3.34Å
24	Q	77.4	Confident	73.6	Confident	95 Å²	95	109.1 Å²	109.1	44%	0.444	59%	0.59	S	S	.	*	H	α-helix	trans	-63.3	-36.1	174.5	-75.3	172.6	-4.7	0	0	112.2	K20 T21 E28	K20-Q24 HydrophobicContact CB-CB 4.28Å; T21-Q24 WeakPolarHBondContact O-CB 3.32Å; T21-Q24 PolarHBondContact O-N 3.49Å; T21-Q24 VanDerWaalsContact O-N 3.11Å; T21-Q24 VanDerWaalsContact OG1-CG 3.25Å; T21-Q24 WeakPolarHBondContact OG1-CG 3.39Å; T21-Q24 PolarHBondContact OG1-N 3.27Å; Q24-E28 WeakPolarHBondContact O-CB 3.47Å; Q24-E28 WeakPolarHBondContact O-CG 3.3Å; Q24-E28 PolarHBondContact O-N 3.31Å
25	R	79.8	Confident	76.2	Confident	148 Å²	148	110 Å²	110	56%	0.558	58%	0.579	S	S	*	*	H	α-helix	trans	-69.7	-37.8	175	-71.7	-179.3	178	-173.8	-1.5	112	K20 T21 E22 D23 K29	K20-R25 HydrophobicContact CB-CG 4.12Å; T21-R25 PolarHBondContact O-N 2.97Å; E22-R25 PolarHBondContact O-N 2.85Å; D23-R25 VanDerWaalsContact C-N 3.31Å; D23-R25 PolarHBondContact O-N 3.02Å; R25-K29 WeakPolarHBondContact O-CB 3.21Å; R25-K29 PolarHBondContact O-N 3.02Å
26	N	84	Confident	78.5	Confident	98 Å²	98	109.8 Å²	109.8	52%	0.524	56%	0.563	S	S	.	*	H	α-helix	trans	-68.8	-41.1	177.3	-72.2	-24.5	0	0	0	111.2	E22 D23 K29 A30	E22-N26 WeakPolarHBondContact O-CB 3.4Å; E22-N26 PolarHBondContact O-N 2.71Å; E22-N26 PolarHBondContact O-ND2 2.93Å; D23-N26 PolarHBondContact O-N 2.87Å; N26-K29 PolarHBondContact O-N 3.4Å; N26-A30 WeakPolarHBondContact O-CB 3.42Å; N26-A30 PolarHBondContact O-N 3.34Å
27	E	86.8	Confident	80.8	Confident	135 Å²	135	109.2 Å²	109.2	63%	0.631	55%	0.554	S	S	*	*	H	α-helix	trans	-63.6	-45.9	172.7	-75	178.1	178.1	0	0	111.9	D23 K29 A30 Q31	D23-E27 WeakPolarHBondContact O-CB 3.45Å; D23-E27 WeakPolarHBondContact O-CG 3.36Å; D23-E27 PolarHBondContact O-N 3.34Å; E27-K29 VanDerWaalsContact C-N 3.28Å; E27-K29 PolarHBondContact O-N 2.63Å; E27-A30 PolarHBondContact O-N 2.98Å; E27-Q31 WeakPolarHBondContact O-CB 3.32Å; E27-Q31 PolarHBondContact O-N 2.81Å
28	E	86.6	Confident	83	Confident	62 Å²	62	110.6 Å²	110.6	29%	0.29	55%	0.545	S	S	.	.	H	α-helix	trans	-61.5	-37.4	175.4	-79.4	-178.1	-178.8	0	0	112.2	K20 Q24 R32	K20-E28 IonicContact NZ-OE1 2.59Å; K20-E28 PolarHBondContact NZ-OE1 3.11Å; K20-E28 IonicContact NZ-OE2 2.83Å; K20-E28 PolarHBondContact NZ-OE2 3.24Å; Q24-E28 WeakPolarHBondContact O-CB 3.47Å; Q24-E28 WeakPolarHBondContact O-CG 3.3Å; Q24-E28 PolarHBondContact O-N 3.31Å; E28-R32 WeakPolarHBondContact O-CB 3.4Å; E28-R32 WeakPolarHBondContact O-CG 3.31Å; E28-R32 PolarHBondContact O-N 3.06Å
29	K	88.4	Confident	85	Confident	126 Å²	126	109.1 Å²	109.1	55%	0.548	53%	0.533	S	S	.	.	H	α-helix	trans	-67.7	-45.4	175.2	-171.9	-178.4	175.3	-171.9	0	111.2	R25 N26 E27 Q31 R32 E33	R25-K29 WeakPolarHBondContact O-CB 3.21Å; R25-K29 PolarHBondContact O-N 3.02Å; N26-K29 PolarHBondContact O-N 3.4Å; E27-K29 VanDerWaalsContact C-N 3.28Å; E27-K29 PolarHBondContact O-N 2.63Å; K29-Q31 VanDerWaalsContact C-N 3.34Å; K29-Q31 PolarHBondContact O-N 2.94Å; K29-R32 PolarHBondContact O-N 3.07Å; K29-E33 WeakPolarHBondContact CE-OE1 3.34Å; K29-E33 WeakPolarHBondContact O-CG 3.25Å; K29-E33 PolarHBondContact O-N 3.5Å
30	A	89.8	Confident	86.6	Confident	56 Å²	56	110.4 Å²	110.4	46%	0.463	53%	0.526	S	S	.	.	H	α-helix	trans	-61.7	-41.5	176.5	0	0	0	0	0	111.8	N26 E27 E33 A34	N26-A30 WeakPolarHBondContact O-CB 3.42Å; N26-A30 PolarHBondContact O-N 3.34Å; E27-A30 PolarHBondContact O-N 2.98Å; A30-E33 PolarHBondContact O-N 2.99Å; A30-A34 WeakPolarHBondContact O-CB 3.46Å; A30-A34 PolarHBondContact O-N 3.34Å
31	Q	90.3	Very high	88	Confident	123 Å²	123	110.5 Å²	110.5	58%	0.575	53%	0.528	S	S	*	.	H	α-helix	trans	-64.9	-42.2	175.8	-167.8	179.9	17.2	0	0	111.7	E27 K29 E33 A34 N35	E27-Q31 WeakPolarHBondContact O-CB 3.32Å; E27-Q31 PolarHBondContact O-N 2.81Å; K29-Q31 VanDerWaalsContact C-N 3.34Å; K29-Q31 PolarHBondContact O-N 2.94Å; Q31-E33 VanDerWaalsContact C-N 3.35Å; Q31-A34 PolarHBondContact O-N 3.19Å; Q31-N35 WeakPolarHBondContact O-CB 3.46Å; Q31-N35 VanDerWaalsContact O-CG 3.26Å; Q31-N35 PolarHBondContact O-N 2.83Å
32	R	91.6	Very high	88.8	Confident	180 Å²	180	112 Å²	112	68%	0.679	53%	0.532	S	S	*	.	H	α-helix	trans	-63	-40.3	173.9	-76	172.5	-174.6	-172.1	3.3	112.1	E28 K29 K36	E28-R32 WeakPolarHBondContact O-CB 3.4Å; E28-R32 WeakPolarHBondContact O-CG 3.31Å; E28-R32 PolarHBondContact O-N 3.06Å; K29-R32 PolarHBondContact O-N 3.07Å; R32-K36 VanDerWaalsContact O-CB 3.27Å; R32-K36 WeakPolarHBondContact O-CB 3.35Å; R32-K36 PolarHBondContact O-N 3Å
33	E	93.1	Very high	89.6	Confident	98 Å²	98	110.6 Å²	110.6	46%	0.458	53%	0.526	S	S	.	.	H	α-helix	trans	-67.8	-41	176.8	-74.8	-178.6	-168.3	0	0	112.2	K29 A30 Q31 K36 K37	K29-E33 WeakPolarHBondContact CE-OE1 3.34Å; K29-E33 WeakPolarHBondContact O-CG 3.25Å; K29-E33 PolarHBondContact O-N 3.5Å; A30-E33 PolarHBondContact O-N 2.99Å; Q31-E33 VanDerWaalsContact C-N 3.35Å; E33-K36 PolarHBondContact O-N 2.86Å; E33-K37 WeakPolarHBondContact O-CG 3.19Å; E33-K37 PolarHBondContact O-N 3.02Å
34	A	93	Very high	90.3	Very high	45 Å²	45	111.1 Å²	111.1	37%	0.372	52%	0.523	S	S	.	.	H	α-helix	trans	-61.8	-48.6	173.3	0	0	0	0	0	111.3	A30 Q31 K36 K37 I38	A30-A34 WeakPolarHBondContact O-CB 3.46Å; A30-A34 PolarHBondContact O-N 3.34Å; Q31-A34 PolarHBondContact O-N 3.19Å; A34-K36 VanDerWaalsContact C-N 3.33Å; A34-K36 PolarHBondContact O-N 3.11Å; A34-K37 WeakPolarHBondContact O-CB 3.26Å; A34-K37 PolarHBondContact O-N 2.76Å; A34-K37 VanDerWaalsContact O-N 3.12Å; A34-I38 WeakPolarHBondContact O-CG1 3.34Å; A34-I38 PolarHBondContact O-N 2.75Å
35	N	94.3	Very high	90.9	Very high	79 Å²	79	110 Å²	110	42%	0.422	52%	0.52	S	S	.	.	H	α-helix	trans	-58.5	-44.3	175.8	-75	-8	0	0	0	111.5	Q31 K37 I38 E39	Q31-N35 WeakPolarHBondContact O-CB 3.46Å; Q31-N35 VanDerWaalsContact O-CG 3.26Å; Q31-N35 PolarHBondContact O-N 2.83Å; N35-K37 VanDerWaalsContact C-N 3.31Å; N35-K37 PolarHBondContact O-N 3.22Å; N35-I38 PolarHBondContact O-N 2.84Å; N35-E39 WeakPolarHBondContact O-CG 3.33Å; N35-E39 PolarHBondContact O-N 3.08Å
36	K	94.6	Very high	91.3	Very high	127 Å²	127	108.8 Å²	108.8	55%	0.552	52%	0.519	S	S	*	.	H	α-helix	trans	-63.2	-34.5	176.9	-171.5	175.2	-175.3	176.1	0	112.7	R32 E33 A34 K40	R32-K36 VanDerWaalsContact O-CB 3.27Å; R32-K36 WeakPolarHBondContact O-CB 3.35Å; R32-K36 PolarHBondContact O-N 3Å; E33-K36 PolarHBondContact O-N 2.86Å; A34-K36 VanDerWaalsContact C-N 3.33Å; A34-K36 PolarHBondContact O-N 3.11Å; K36-K40 WeakPolarHBondContact O-CB 3.45Å; K36-K40 WeakPolarHBondContact O-CG 3.37Å; K36-K40 PolarHBondContact O-N 2.78Å; K36-K40 VanDerWaalsContact O-N 3.15Å
37	K	94.5	Very high	91.4	Very high	154 Å²	154	110 Å²	110	67%	0.67	52%	0.522	S	S	*	.	H	α-helix	trans	-67.5	-43.9	173.3	-74.3	175.5	-175.5	176.5	0	111	E33 A34 N35 K40 Q41	E33-K37 WeakPolarHBondContact O-CG 3.19Å; E33-K37 PolarHBondContact O-N 3.02Å; A34-K37 WeakPolarHBondContact O-CB 3.26Å; A34-K37 PolarHBondContact O-N 2.76Å; A34-K37 VanDerWaalsContact O-N 3.12Å; N35-K37 VanDerWaalsContact C-N 3.31Å; N35-K37 PolarHBondContact O-N 3.22Å; K37-K40 PolarHBondContact O-N 2.85Å; K37-Q41 PolarHBondContact O-N 2.96Å
38	I	94.2	Very high	91.4	Very high	94 Å²	94	108 Å²	108	48%	0.482	51%	0.514	S	S	.	.	H	α-helix	trans	-62.7	-48.1	177.2	-66.3	166.1	0	0	0	110.6	A34 N35 K40 Q41 L42	A34-I38 WeakPolarHBondContact O-CG1 3.34Å; A34-I38 PolarHBondContact O-N 2.75Å; N35-I38 PolarHBondContact O-N 2.84Å; I38-K40 VanDerWaalsContact C-N 3.33Å; I38-K40 PolarHBondContact O-N 3.09Å; I38-Q41 PolarHBondContact O-N 3.06Å; I38-Q41 VanDerWaalsContact O-N 3.08Å; I38-L42 HydrophobicContact CG2-CD1 3.86Å; I38-L42 HydrophobicContact CG2-CG 4.2Å; I38-L42 WeakPolarHBondContact O-CG 3.42Å; I38-L42 PolarHBondContact O-N 3.47Å
39	E	93.9	Very high	91.4	Very high	132 Å²	132	109.4 Å²	109.4	62%	0.617	52%	0.517	S	S	*	.	H	α-helix	trans	-58.6	-43.3	177.8	-77.1	177	-178.9	0	0	112.3	N35 Q41 L42 Q43	N35-E39 WeakPolarHBondContact O-CG 3.33Å; N35-E39 PolarHBondContact O-N 3.08Å; E39-Q41 VanDerWaalsContact C-N 3.32Å; E39-Q41 PolarHBondContact O-N 3.26Å; E39-L42 PolarHBondContact O-N 3.08Å; E39-Q43 WeakPolarHBondContact O-CB 3.39Å; E39-Q43 PolarHBondContact O-N 3.47Å
40	K	93.8	Very high	91.2	Very high	126 Å²	126	109.5 Å²	109.5	55%	0.548	51%	0.514	S	S	.	.	H	α-helix	trans	-62.1	-39.8	174.7	-79.6	-177.8	176.1	-171.5	0	112.2	K36 K37 I38 K44	K36-K40 WeakPolarHBondContact O-CB 3.45Å; K36-K40 WeakPolarHBondContact O-CG 3.37Å; K36-K40 PolarHBondContact O-N 2.78Å; K36-K40 VanDerWaalsContact O-N 3.15Å; K37-K40 PolarHBondContact O-N 2.85Å; I38-K40 VanDerWaalsContact C-N 3.33Å; I38-K40 PolarHBondContact O-N 3.09Å; K40-K44 WeakPolarHBondContact O-CG 3.25Å; K40-K44 PolarHBondContact O-N 3.12Å
41	Q	93.4	Very high	91	Very high	96 Å²	96	109.4 Å²	109.4	45%	0.449	51%	0.513	S	S	.	.	H	α-helix	trans	-67.5	-46.9	177.1	-172.3	58.5	41.2	0	0	110.9	K37 I38 E39 Q43 K44 D45	K37-Q41 PolarHBondContact O-N 2.96Å; I38-Q41 PolarHBondContact O-N 3.06Å; I38-Q41 VanDerWaalsContact O-N 3.08Å; E39-Q41 VanDerWaalsContact C-N 3.32Å; E39-Q41 PolarHBondContact O-N 3.26Å; Q41-Q43 VanDerWaalsContact C-N 3.26Å; Q41-Q43 PolarHBondContact O-N 2.87Å; Q41-K44 WeakPolarHBondContact O-CB 3.42Å; Q41-K44 PolarHBondContact O-N 3.34Å; Q41-K44 VanDerWaalsContact O-N 3.08Å; Q41-D45 PolarHBondContact NE2-OD1 3.46Å; Q41-D45 VanDerWaalsContact O-CG 3.27Å; Q41-D45 PolarHBondContact O-N 3.04Å
42	L	93.7	Very high	91	Very high	107 Å²	107	104.6 Å²	104.6	56%	0.56	49%	0.492	S	S	*	.	H	α-helix	trans	-58.1	-38.3	176.3	-72	173.4	0	0	0	112.3	I38 E39 D45 K46	I38-L42 HydrophobicContact CG2-CD1 3.86Å; I38-L42 HydrophobicContact CG2-CG 4.2Å; I38-L42 WeakPolarHBondContact O-CG 3.42Å; I38-L42 PolarHBondContact O-N 3.47Å; E39-L42 PolarHBondContact O-N 3.08Å; L42-D45 PolarHBondContact O-N 2.65Å; L42-K46 VanDerWaalsContact O-CB 3.23Å; L42-K46 WeakPolarHBondContact O-CB 3.27Å; L42-K46 PolarHBondContact O-N 3.05Å
43	Q	92.1	Very high	91.1	Very high	127 Å²	127	96.6 Å²	96.6	59%	0.593	46%	0.463	S	S	*	.	H	α-helix	trans	-66.2	-40.5	176.8	-167.5	174.2	12.4	0	0	112	E39 Q41 Q47	E39-Q43 WeakPolarHBondContact O-CB 3.39Å; E39-Q43 PolarHBondContact O-N 3.47Å; Q41-Q43 VanDerWaalsContact C-N 3.26Å; Q41-Q43 PolarHBondContact O-N 2.87Å; Q43-Q47 WeakPolarHBondContact O-CG 3.21Å; Q43-Q47 PolarHBondContact O-N 3.41Å; Q43-Q47 VanDerWaalsContact O-N 3.15Å
44	K	91.1	Very high	91	Very high	125 Å²	125	93.8 Å²	93.8	54%	0.543	45%	0.448	S	S	.	.	H	α-helix	trans	-65.3	-46.5	173.5	-72.3	-179.7	178.6	-175.5	0	111.5	K40 Q41 K46 Q47 I48	K40-K44 WeakPolarHBondContact O-CG 3.25Å; K40-K44 PolarHBondContact O-N 3.12Å; Q41-K44 WeakPolarHBondContact O-CB 3.42Å; Q41-K44 PolarHBondContact O-N 3.34Å; Q41-K44 VanDerWaalsContact O-N 3.08Å; K44-K46 VanDerWaalsContact C-N 3.27Å; K44-K46 PolarHBondContact O-N 3.24Å; K44-Q47 WeakPolarHBondContact O-CB 3.49Å; K44-Q47 PolarHBondContact O-N 2.92Å; K44-Q47 VanDerWaalsContact O-N 3.08Å; K44-I48 WeakPolarHBondContact O-CG1 3.48Å; K44-I48 PolarHBondContact O-N 3.38Å
45	D	89.6	Confident	91.1	Very high	73 Å²	73	91.6 Å²	91.6	39%	0.39	43%	0.43	S	S	.	.	H	α-helix	trans	-62.2	-38.4	179.6	-65.3	-15.1	0	0	0	110.9	Q41 L42 Q47 I48 Y49	Q41-D45 PolarHBondContact NE2-OD1 3.46Å; Q41-D45 VanDerWaalsContact O-CG 3.27Å; Q41-D45 PolarHBondContact O-N 3.04Å; L42-D45 PolarHBondContact O-N 2.65Å; D45-Q47 PolarHBondContact O-N 3.42Å; D45-I48 PolarHBondContact O-N 3.37Å; D45-Y49 WeakPolarHBondContact O-CB 3.42Å; D45-Y49 PolarHBondContact O-N 2.58Å
46	K	88.4	Confident	91.2	Very high	121 Å²	121	87.9 Å²	87.9	53%	0.526	41%	0.41	S	S	.	.	H	α-helix	trans	-63.9	-37.3	174.3	-171.6	174.8	-175.8	175.4	0	112.6	L42 K44 R50	L42-K46 VanDerWaalsContact O-CB 3.23Å; L42-K46 WeakPolarHBondContact O-CB 3.27Å; L42-K46 PolarHBondContact O-N 3.05Å; K44-K46 VanDerWaalsContact C-N 3.27Å; K44-K46 PolarHBondContact O-N 3.24Å; K46-R50 WeakPolarHBondContact O-CB 3.17Å; K46-R50 VanDerWaalsContact O-CG 3.32Å; K46-R50 WeakPolarHBondContact O-CG 3.41Å; K46-R50 PolarHBondContact O-N 3.36Å
47	Q	86.4	Confident	91.2	Very high	125 Å²	125	81.8 Å²	81.8	58%	0.584	38%	0.384	S	S	*	.	H	α-helix	trans	-67.1	-45.8	174.9	-73.5	175.6	-4.9	0	0	111.3	Q43 K44 D45 Y49 R50 A51	Q43-Q47 WeakPolarHBondContact O-CG 3.21Å; Q43-Q47 PolarHBondContact O-N 3.41Å; Q43-Q47 VanDerWaalsContact O-N 3.15Å; K44-Q47 WeakPolarHBondContact O-CB 3.49Å; K44-Q47 PolarHBondContact O-N 2.92Å; K44-Q47 VanDerWaalsContact O-N 3.08Å; D45-Q47 PolarHBondContact O-N 3.42Å; Q47-Y49 VanDerWaalsContact C-N 3.35Å; Q47-Y49 PolarHBondContact O-N 2.95Å; Q47-R50 PolarHBondContact O-N 3.4Å; Q47-A51 WeakPolarHBondContact O-CB 3.41Å; Q47-A51 PolarHBondContact O-N 3.19Å
48	I	86.5	Confident	91.3	Very high	93 Å²	93	74.5 Å²	74.5	48%	0.477	35%	0.352	S	S	.	.	H	α-helix	trans	-62	-45.5	177.1	-65.3	169	0	0	0	110.2	K44 D45 R50 A51 T52	K44-I48 WeakPolarHBondContact O-CG1 3.48Å; K44-I48 PolarHBondContact O-N 3.38Å; D45-I48 PolarHBondContact O-N 3.37Å; I48-R50 PolarHBondContact O-N 2.98Å; I48-A51 CarbonylContact O-C 3.58Å; I48-A51 PolarHBondContact O-N 2.91Å; I48-A51 VanDerWaalsContact O-N 3.15Å; I48-T52 PolarHBondContact O-N 3.46Å; I48-T52 VanDerWaalsContact O-N 3.15Å; I48-T52 PolarHBondContact O-OG1 3.47Å
49	Y	86.2	Confident	91.4	Very high	90 Å²	90	70 Å²	70	35%	0.353	33%	0.329	S	S	.	.	H	α-helix	trans	-58.3	-48	178.4	-176.7	-92.7	0	0	0	111.8	D45 Q47 A51 T52 R54 D237	D45-Y49 WeakPolarHBondContact O-CB 3.42Å; D45-Y49 PolarHBondContact O-N 2.58Å; Q47-Y49 VanDerWaalsContact C-N 3.35Å; Q47-Y49 PolarHBondContact O-N 2.95Å; Y49-A51 VanDerWaalsContact C-N 3.29Å; Y49-A51 PolarHBondContact O-N 3.26Å; Y49-T52 PolarHBondContact O-N 3.22Å; Y49-R54 VanDerWaalsContact CZ-NH1 3.31Å; Y49-R54 PolarHBondContact OH-NH1 2.71Å; Y49-D237 WeakPolarHBondContact OH-CB 3.33Å; Y49-D237 PolarHBondContact OH-OD2 3.4Å
50	R	84.3	Confident	91.5	Very high	129 Å²	129	64.3 Å²	64.3	49%	0.487	31%	0.305	S	S	.	.	H	α-helix	trans	-63.9	-32.9	176.6	-77.1	178.8	171.6	-170.6	-6.9	112.7	K46 Q47 I48 T52 H384 Y388	K46-R50 WeakPolarHBondContact O-CB 3.17Å; K46-R50 VanDerWaalsContact O-CG 3.32Å; K46-R50 WeakPolarHBondContact O-CG 3.41Å; K46-R50 PolarHBondContact O-N 3.36Å; Q47-R50 PolarHBondContact O-N 3.4Å; I48-R50 PolarHBondContact O-N 2.98Å; R50-T52 VanDerWaalsContact C-N 3.27Å; R50-T52 PolarHBondContact O-N 3.43Å; R50-H384 PolarHBondContact O-CE1 3.48Å; R50-H384 PolarHBondContact O-NE2 3.14Å; R50-Y388 HydrophobicContact CG-CE1 4.26Å
51	A	86.1	Confident	91.3	Very high	53 Å²	53	59.6 Å²	59.6	44%	0.438	29%	0.291	S	S	.	.	T	Hydrogen-bonded Turn	trans	-84	2.6	178.4	0	0	0	0	0	113.9	Q47 I48 Y49	Q47-A51 WeakPolarHBondContact O-CB 3.41Å; Q47-A51 PolarHBondContact O-N 3.19Å; I48-A51 CarbonylContact O-C 3.58Å; I48-A51 PolarHBondContact O-N 2.91Å; I48-A51 VanDerWaalsContact O-N 3.15Å; Y49-A51 VanDerWaalsContact C-N 3.29Å; Y49-A51 PolarHBondContact O-N 3.26Å
52	T	91.3	Very high	91.2	Very high	23 Å²	23	56.9 Å²	56.9	14%	0.141	28%	0.279	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.3	123.3	-177.3	-58.7	0	0	0	0	110.7	I48 Y49 R50 N215 H217	I48-T52 PolarHBondContact O-N 3.46Å; I48-T52 VanDerWaalsContact O-N 3.15Å; I48-T52 PolarHBondContact O-OG1 3.47Å; Y49-T52 PolarHBondContact O-N 3.22Å; R50-T52 VanDerWaalsContact C-N 3.27Å; R50-T52 PolarHBondContact O-N 3.43Å; T52-N215 CarbonylContact C-O 3.58Å; T52-N215 WeakPolarHBondContact CA-O 3.22Å; T52-N215 HydrophobicContact CG2-CB 4.15Å; T52-H217 HydrophobicContact CG2-CB 3.66Å
53	H	91.8	Very high	91.3	Very high	11 Å²	11	51.9 Å²	51.9	5%	0.051	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.7	120	172.9	-60.3	-31	0	0	0	110.3	V214 N215 F216 H217 I380 H384	H53-V214 WeakPolarHBondContact CD2-CG1 3.48Å; H53-V214 VanDerWaalsContact NE2-CG1 3.34Å; H53-V214 WeakPolarHBondContact NE2-CG1 3.32Å; H53-N215 PolarHBondContact N-O 3.47Å; H53-F216 HydrophobicContact CB-CD1 3.87Å; H53-F216 HydrophobicContact CB-CE1 4.02Å; H53-F216 AromaticContact CD2-CE1 3.75Å; H53-F216 AromaticContact CD2-CZ 3.91Å; H53-F216 WeakPolarHBondContact O-CA 3.15Å; H53-H217 PolarHBondContact O-N 2.96Å; H53-I380 HydrophobicContact CB-CG2 3.95Å; H53-H384 VanDerWaalsContact CE1-CB 3.43Å; H53-H384 WeakPolarHBondContact CE1-CB 3.32Å; H53-H384 AromaticContact CE1-CD2 3.37Å; H53-H384 PolarHBondContact CE1-CD2 3.11Å; H53-H384 AromaticContact CE1-CE1 3.97Å; H53-H384 AromaticContact CE1-CG 3.22Å; H53-H384 AromaticContact CE1-ND1 3.66Å; H53-H384 AromaticContact CE1-NE2 3.83Å; H53-H384 AromaticContact ND1-CD2 3.67Å; H53-H384 AromaticContact ND1-CE1 3.53Å; H53-H384 AromaticContact ND1-CG 3.18Å; H53-H384 AromaticContact ND1-ND1 3.12Å; H53-H384 PolarHBondContact ND1-ND1 3.38Å; H53-H384 VanDerWaalsContact ND1-ND1 3.12Å; H53-H384 AromaticContact ND1-NE2 3.85Å
54	R	92.9	Very high	91.5	Very high	39 Å²	39	46.3 Å²	46.3	15%	0.147	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.5	116	-178.1	-68.9	175.7	60.2	147.8	5.9	109.2	Y49 H217 F219 N236 D237 T239 A240	Y49-R54 VanDerWaalsContact CZ-NH1 3.31Å; Y49-R54 PolarHBondContact OH-NH1 2.71Å; R54-H217 CarbonylContact C-O 3.56Å; R54-H217 WeakPolarHBondContact CA-O 3.46Å; R54-H217 HydrophobicContact CG-CB 4.4Å; R54-F219 HydrophobicContact CB-CE2 4.13Å; R54-F219 HydrophobicContact CG-CE2 4.35Å; R54-N236 VanDerWaalsContact CZ-O 3.24Å; R54-N236 PolarHBondContact NH2-O 2.98Å; R54-D237 WeakPolarHBondContact CB-O 3.4Å; R54-D237 VanDerWaalsContact CD-O 3.27Å; R54-D237 WeakPolarHBondContact CD-O 3.46Å; R54-T239 PolarHBondContact N-OG1 3.09Å; R54-T239 VanDerWaalsContact N-OG1 3.11Å; R54-T239 WeakPolarHBondContact O-CB 3.29Å; R54-T239 PolarHBondContact O-N 3.13Å; R54-A240 PolarHBondContact O-N 3.3Å
55	L	94.6	Very high	91.7	Very high	0 Å²	0	40.9 Å²	40.9	0%	0	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.1	123.6	-175.3	-59.9	179.6	0	0	0	110.2	F216 H217 M218 F219 A240 I242 F373 I380	L55-F216 HydrophobicContact CD1-CD1 3.78Å; L55-F216 HydrophobicContact CD1-CE1 4.34Å; L55-F216 HydrophobicContact CG-CD1 4.41Å; L55-H217 PolarHBondContact N-O 2.97Å; L55-M218 HydrophobicContact CB-CG 3.72Å; L55-M218 HydrophobicContact CD1-CG 4.02Å; L55-M218 HydrophobicContact CD1-SD 4.32Å; L55-M218 HydrophobicContact CG-CG 4.4Å; L55-M218 WeakPolarHBondContact O-CA 3.45Å; L55-F219 WeakPolarHBondContact O-CD2 3.42Å; L55-F219 PolarHBondContact O-N 3.36Å; L55-A240 WeakPolarHBondContact CA-O 3.42Å; L55-A240 HydrophobicContact CD2-CB 3.97Å; L55-I242 HydrophobicContact CB-CD1 4.49Å; L55-I242 HydrophobicContact CD1-CD1 4.15Å; L55-F373 HydrophobicContact CD1-CE2 4.13Å; L55-I380 HydrophobicContact CD1-CD1 4.11Å; L55-I380 HydrophobicContact CD2-CD1 3.9Å; L55-I380 HydrophobicContact CD2-CG1 4.17Å; L55-I380 HydrophobicContact CD2-CG2 4.24Å
56	L	95.4	Very high	91.9	Very high	0 Å²	0	38.8 Å²	38.8	0%	0	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104	122.1	179.8	-180	59.8	0	0	0	110.6	L58 F219 V221 C234 F235 V238 A240 I241 I242	L56-L58 HydrophobicContact CD1-CD2 4.17Å; L56-L58 HydrophobicContact CD2-CD1 4.16Å; L56-L58 HydrophobicContact CD2-CD2 3.96Å; L56-L58 HydrophobicContact CD2-CG 4.13Å; L56-L58 HydrophobicContact CG-CD1 4.47Å; L56-L58 HydrophobicContact CG-CD2 3.82Å; L56-L58 HydrophobicContact CG-CG 3.94Å; L56-F219 HydrophobicContact CD1-CB 3.78Å; L56-V221 HydrophobicContact CD1-CG1 4.07Å; L56-V221 HydrophobicContact CD1-CG2 4.43Å; L56-C234 HydrophobicContact CD1-CB 3.64Å; L56-C234 HydrophobicContact CD2-CB 4.24Å; L56-F235 HydrophobicContact CD2-CD1 3.49Å; L56-F235 VanDerWaalsContact CD2-CD1 3.49Å; L56-F235 HydrophobicContact CD2-CE1 3.6Å; L56-V238 HydrophobicContact CB-CG1 3.88Å; L56-V238 HydrophobicContact CB-CG2 4.13Å; L56-V238 HydrophobicContact CD2-CG2 4.35Å; L56-A240 PolarHBondContact N-O 3.01Å; L56-I241 HydrophobicContact CB-CG1 4.5Å; L56-I241 WeakPolarHBondContact O-CA 3.34Å; L56-I242 PolarHBondContact O-N 3.47Å
57	L	95.9	Very high	92.2	Very high	0 Å²	0	34.2 Å²	34.2	0%	0	18%	0.179	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.2	114.1	178.1	-72.5	84.4	0	0	0	109.7	K65 I68 V69 M218 F219 V221 I242	L57-K65 HydrophobicContact CB-CB 4.24Å; L57-K65 HydrophobicContact CB-CD 4.27Å; L57-K65 HydrophobicContact CB-CG 4.25Å; L57-K65 HydrophobicContact CD2-CB 4.23Å; L57-K65 WeakPolarHBondContact CD2-O 3.45Å; L57-K65 WeakPolarHBondContact O-CD 3.47Å; L57-I68 HydrophobicContact CD2-CB 3.99Å; L57-I68 HydrophobicContact CD2-CG2 4.02Å; L57-V69 HydrophobicContact CD1-CG2 4.33Å; L57-V69 HydrophobicContact CD2-CG2 3.8Å; L57-M218 HydrophobicContact CD1-CB 3.98Å; L57-M218 HydrophobicContact CD1-CE 3.43Å; L57-M218 VanDerWaalsContact CD1-CE 3.43Å; L57-M218 HydrophobicContact CD1-CG 3.97Å; L57-M218 HydrophobicContact CD1-SD 4.49Å; L57-M218 HydrophobicContact CD2-CE 3.85Å; L57-M218 HydrophobicContact CG-CE 4.16Å; L57-F219 WeakPolarHBondContact CB-O 3.38Å; L57-F219 WeakPolarHBondContact CD1-O 3.35Å; L57-F219 PolarHBondContact N-O 3.38Å; L57-V221 VanDerWaalsContact O-CG2 3.29Å; L57-V221 WeakPolarHBondContact O-CG2 3.21Å; L57-I242 CarbonylContact C-O 3.53Å; L57-I242 WeakPolarHBondContact CA-O 3.45Å; L57-I242 HydrophobicContact CG-CB 4.4Å
58	L	96.3	Very high	92.7	Very high	0 Å²	0	28.2 Å²	28.2	0%	0	15%	0.151	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.3	161.6	177.4	-60.7	-175.8	0	0	0	110.8	L56 V221 W231 F235 I241 I242 F243 V244 I273	L56-L58 HydrophobicContact CD1-CD2 4.17Å; L56-L58 HydrophobicContact CD2-CD1 4.16Å; L56-L58 HydrophobicContact CD2-CD2 3.96Å; L56-L58 HydrophobicContact CD2-CG 4.13Å; L56-L58 HydrophobicContact CG-CD1 4.47Å; L56-L58 HydrophobicContact CG-CD2 3.82Å; L56-L58 HydrophobicContact CG-CG 3.94Å; L58-V221 HydrophobicContact CD2-CG2 3.61Å; L58-W231 HydrophobicContact CB-CZ3 4.4Å; L58-W231 HydrophobicContact CD1-CE3 4.32Å; L58-W231 HydrophobicContact CD1-CZ3 4.43Å; L58-W231 HydrophobicContact CD2-CD2 3.71Å; L58-W231 HydrophobicContact CD2-CE3 3.68Å; L58-W231 HydrophobicContact CD2-CG 4.14Å; L58-W231 HydrophobicContact CD2-CH2 4.42Å; L58-W231 HydrophobicContact CD2-CZ2 4.46Å; L58-W231 HydrophobicContact CD2-CZ3 4.04Å; L58-W231 HydrophobicContact CG-CE3 4.49Å; L58-F235 HydrophobicContact CD1-CE1 4.39Å; L58-I241 HydrophobicContact CB-CG2 4.23Å; L58-I241 HydrophobicContact CD1-CD1 4.26Å; L58-I241 HydrophobicContact CD1-CG2 3.89Å; L58-I241 HydrophobicContact CG-CG2 4.04Å; L58-I242 PolarHBondContact N-O 3.3Å; L58-F243 HydrophobicContact CB-CD2 3.87Å; L58-F243 HydrophobicContact CB-CE2 4.34Å; L58-F243 CarbonylContact O-C 3.6Å; L58-F243 WeakPolarHBondContact O-CA 3.34Å; L58-V244 PolarHBondContact O-N 3.07Å; L58-I273 HydrophobicContact CD1-CD1 3.67Å; L58-I273 HydrophobicContact CD1-CG1 3.98Å; L58-I273 HydrophobicContact CD1-CG2 4.06Å
59	G	96.4	Very high	93	Very high	0 Å²	0	24.4 Å²	24.4	0%	0	13%	0.132	C	C	.	.			trans	143	160.7	-179.5	0	0	0	0	0	112	K65 G223	G59-K65 PolarHBondContact O-NZ 2.94Å; G59-G223 VanDerWaalsContact O-CA 3.29Å; G59-G223 WeakPolarHBondContact O-CA 3.21Å
60	A	94.7	Very high	93.3	Very high	13 Å²	13	21.6 Å²	21.6	11%	0.107	12%	0.122	C	C	.	.	S	Bend	trans	-59.4	168.1	-179.3	0	0	0	0	0	112.5	S63 K65	A60-S63 WeakPolarHBondContact O-CB 3.17Å; A60-S63 PolarHBondContact O-N 2.63Å; A60-S63 PolarHBondContact O-OG 2.75Å; A60-K65 PolarHBondContact O-NZ 3.17Å
61	G	90.8	Very high	93.8	Very high	26 Å²	26	15.5 Å²	15.5	27%	0.268	10%	0.099	S	C	.	.	T	Hydrogen-bonded Turn	trans	-52.8	145.9	170	0	0	0	0	0	111.2	S63 G223	G61-S63 PolarHBondContact O-N 2.8Å; G61-G223 PolarHBondContact N-O 2.89Å
62	E	91	Very high	94.1	Very high	39 Å²	39	13 Å²	13	18%	0.182	8%	0.078	C	C	.	.	T	Hydrogen-bonded Turn	trans	59.6	14.2	177.4	-60.6	166.7	-156.5	0	0	115.8	G64 R198 R255 R262 K290	E62-G64 VanDerWaalsContact C-N 3.3Å; E62-G64 PolarHBondContact O-N 2.78Å; E62-R198 IonicContact OE1-CZ 3.2Å; E62-R198 IonicContact OE1-NE 2.84Å; E62-R198 IonicContact OE1-NH1 3.52Å; E62-R198 PolarHBondContact OE1-NH1 3.04Å; E62-R198 IonicContact OE1-NH2 3.77Å; E62-R198 PolarHBondContact OE1-NH2 3.32Å; E62-R255 WeakPolarHBondContact OE1-CD 3.39Å; E62-R255 IonicContact OE1-CZ 3.69Å; E62-R255 IonicContact OE1-NE 3.79Å; E62-R255 PolarHBondContact OE1-NE 2.75Å; E62-R255 VanDerWaalsContact OE1-NE 3.1Å; E62-R262 IonicContact OE2-CZ 2.63Å; E62-R262 VanDerWaalsContact OE2-CZ 3.29Å; E62-R262 IonicContact OE2-NH1 2.8Å; E62-R262 PolarHBondContact OE2-NH1 3.34Å; E62-R262 IonicContact OE2-NH2 2.75Å; E62-R262 PolarHBondContact OE2-NH2 2.92Å; E62-K290 WeakPolarHBondContact O-CE 3.38Å; E62-K290 PolarHBondContact O-NZ 2.77Å
63	S	95.6	Very high	94.1	Very high	2 Å²	2	14.6 Å²	14.6	1%	0.014	8%	0.081	C	C	.	.	S	Bend	trans	-67.7	-26	176.1	44.7	0	0	0	0	114.3	A60 G61 K65 V244 N289	A60-S63 WeakPolarHBondContact O-CB 3.17Å; A60-S63 PolarHBondContact O-N 2.63Å; A60-S63 PolarHBondContact O-OG 2.75Å; G61-S63 PolarHBondContact O-N 2.8Å; S63-K65 PolarHBondContact OG-NZ 2.96Å; S63-V244 WeakPolarHBondContact CB-O 3.49Å; S63-V244 VanDerWaalsContact O-CG1 3.29Å; S63-V244 WeakPolarHBondContact O-CG1 3.26Å; S63-N289 PolarHBondContact O-ND2 2.75Å
64	G	95.4	Very high	94.1	Very high	11 Å²	11	15.7 Å²	15.7	11%	0.113	9%	0.088	C	C	.	.	S	Bend	trans	113.2	8.6	-178.9	0	0	0	0	0	115.7	E62 S66 T67 I68	E62-G64 VanDerWaalsContact C-N 3.3Å; E62-G64 PolarHBondContact O-N 2.78Å; G64-S66 PolarHBondContact O-N 3.15Å; G64-T67 WeakPolarHBondContact O-CA 3.34Å; G64-T67 WeakPolarHBondContact O-CB 3.36Å; G64-T67 PolarHBondContact O-N 3.13Å; G64-I68 WeakPolarHBondContact O-CG1 3.28Å; G64-I68 PolarHBondContact O-N 3.03Å
65	K	95.3	Very high	94	Very high	10 Å²	10	15.2 Å²	15.2	4%	0.043	9%	0.088	C	C	.	.	H	α-helix	trans	-50.6	-55.2	178.6	-62.5	-178.2	-63.2	-64.3	0	113.4	L57 G59 A60 S63 T67 I68 V69 D220 V221 V244	L57-K65 HydrophobicContact CB-CB 4.24Å; L57-K65 HydrophobicContact CB-CD 4.27Å; L57-K65 HydrophobicContact CB-CG 4.25Å; L57-K65 HydrophobicContact CD2-CB 4.23Å; L57-K65 WeakPolarHBondContact CD2-O 3.45Å; L57-K65 WeakPolarHBondContact O-CD 3.47Å; G59-K65 PolarHBondContact O-NZ 2.94Å; A60-K65 PolarHBondContact O-NZ 3.17Å; S63-K65 PolarHBondContact OG-NZ 2.96Å; K65-T67 PolarHBondContact O-N 3.49Å; K65-I68 WeakPolarHBondContact O-CB 3.3Å; K65-I68 PolarHBondContact O-N 3.34Å; K65-V69 PolarHBondContact O-N 3.04Å; K65-V69 VanDerWaalsContact O-N 3.12Å; K65-D220 VanDerWaalsContact CB-OD1 3.28Å; K65-D220 WeakPolarHBondContact CB-OD1 3.4Å; K65-V221 WeakPolarHBondContact CE-O 3.38Å; K65-V244 HydrophobicContact CG-CB 4.1Å; K65-V244 HydrophobicContact CG-CG2 3.96Å
66	S	94.8	Very high	93.7	Very high	29 Å²	29	17.8 Å²	17.8	20%	0.203	10%	0.099	C	C	.	.	H	α-helix	trans	-62.9	-30.8	179.3	-50.3	0	0	0	0	112.2	G64 V69 K70 T201 D220	G64-S66 PolarHBondContact O-N 3.15Å; S66-V69 PolarHBondContact O-N 3.41Å; S66-K70 VanDerWaalsContact O-CG 3.26Å; S66-K70 WeakPolarHBondContact O-CG 3.45Å; S66-K70 PolarHBondContact O-N 3.2Å; S66-T201 PolarHBondContact OG-OG1 2.81Å; S66-D220 VanDerWaalsContact CA-OD2 3.25Å; S66-D220 WeakPolarHBondContact CA-OD2 3.35Å; S66-D220 VanDerWaalsContact CB-OD2 3.23Å; S66-D220 WeakPolarHBondContact CB-OD2 3.44Å; S66-D220 PolarHBondContact OG-OD2 3.48Å
67	T	95.4	Very high	93.3	Very high	25 Å²	25	20.4 Å²	20.4	15%	0.153	12%	0.116	C	C	.	.	H	α-helix	trans	-66.2	-41.7	174	-48.9	0	0	0	0	111.4	G64 K65 V69 K70 Q71 L195 A363 V364	G64-T67 WeakPolarHBondContact O-CA 3.34Å; G64-T67 WeakPolarHBondContact O-CB 3.36Å; G64-T67 PolarHBondContact O-N 3.13Å; K65-T67 PolarHBondContact O-N 3.49Å; T67-V69 VanDerWaalsContact C-N 3.29Å; T67-V69 PolarHBondContact O-N 2.92Å; T67-K70 WeakPolarHBondContact O-CB 3.23Å; T67-K70 PolarHBondContact O-N 3.04Å; T67-Q71 WeakPolarHBondContact O-CG 3.38Å; T67-Q71 PolarHBondContact O-N 3.44Å; T67-L195 HydrophobicContact CG2-CB 4.42Å; T67-L195 HydrophobicContact CG2-CD2 3.89Å; T67-A363 HydrophobicContact CG2-CB 3.74Å; T67-A363 WeakPolarHBondContact CG2-O 3.23Å; T67-V364 HydrophobicContact CG2-CG1 4Å
68	I	95.6	Very high	92.7	Very high	0 Å²	0	28.6 Å²	28.6	0%	0	16%	0.159	C	C	.	.	H	α-helix	trans	-60.3	-40.5	173.5	-60.8	-64.1	0	0	0	111.1	L57 G64 K65 Q71 M72 M218 F287 A363 I369	L57-I68 HydrophobicContact CD2-CB 3.99Å; L57-I68 HydrophobicContact CD2-CG2 4.02Å; G64-I68 WeakPolarHBondContact O-CG1 3.28Å; G64-I68 PolarHBondContact O-N 3.03Å; K65-I68 WeakPolarHBondContact O-CB 3.3Å; K65-I68 PolarHBondContact O-N 3.34Å; I68-Q71 WeakPolarHBondContact O-CB 3.14Å; I68-Q71 PolarHBondContact O-N 3.18Å; I68-M72 HydrophobicContact CG2-CE 4.22Å; I68-M72 WeakPolarHBondContact O-CG 3.4Å; I68-M72 PolarHBondContact O-N 2.98Å; I68-M72 VanDerWaalsContact O-N 3.08Å; I68-M218 HydrophobicContact CG2-CE 3.95Å; I68-F287 HydrophobicContact CD1-CD2 4.06Å; I68-F287 HydrophobicContact CD1-CE2 4.17Å; I68-F287 HydrophobicContact CG1-CD2 4.31Å; I68-F287 HydrophobicContact CG2-CE2 4.33Å; I68-A363 HydrophobicContact CD1-CB 3.61Å; I68-A363 HydrophobicContact CG1-CB 4.21Å; I68-I369 HydrophobicContact CD1-CD1 3.41Å; I68-I369 VanDerWaalsContact CD1-CD1 3.41Å; I68-I369 HydrophobicContact CD1-CG1 4.05Å
69	V	93.4	Very high	92.1	Very high	12 Å²	12	29 Å²	29	7%	0.073	16%	0.163	C	C	.	.	H	α-helix	trans	-65.7	-42.7	177.1	177	0	0	0	0	111.5	L57 K65 S66 T67 Q71 M72 R73 T207 M218 D220	L57-V69 HydrophobicContact CD1-CG2 4.33Å; L57-V69 HydrophobicContact CD2-CG2 3.8Å; K65-V69 PolarHBondContact O-N 3.04Å; K65-V69 VanDerWaalsContact O-N 3.12Å; S66-V69 PolarHBondContact O-N 3.41Å; T67-V69 VanDerWaalsContact C-N 3.29Å; T67-V69 PolarHBondContact O-N 2.92Å; V69-Q71 VanDerWaalsContact C-N 3.26Å; V69-Q71 PolarHBondContact O-N 2.76Å; V69-M72 PolarHBondContact O-N 3.02Å; V69-M72 VanDerWaalsContact O-N 3.17Å; V69-R73 PolarHBondContact O-N 2.75Å; V69-R73 VanDerWaalsContact O-N 3.1Å; V69-T207 HydrophobicContact CG1-CG2 4.42Å; V69-T207 VanDerWaalsContact CG1-OG1 3.26Å; V69-T207 WeakPolarHBondContact CG1-OG1 3.44Å; V69-M218 HydrophobicContact CG2-CE 4.04Å; V69-D220 HydrophobicContact CG2-CB 3.71Å
70	K	93.4	Very high	91.7	Very high	32 Å²	32	30.2 Å²	30.2	14%	0.139	17%	0.169	C	C	.	.	H	α-helix	trans	-57.9	-39.2	172.5	-69	176	-176.5	178.5	0	111.4	S66 T67 R73 I74 F80 L194 L195 C197	S66-K70 VanDerWaalsContact O-CG 3.26Å; S66-K70 WeakPolarHBondContact O-CG 3.45Å; S66-K70 PolarHBondContact O-N 3.2Å; T67-K70 WeakPolarHBondContact O-CB 3.23Å; T67-K70 PolarHBondContact O-N 3.04Å; K70-R73 WeakPolarHBondContact O-CB 3.42Å; K70-R73 PolarHBondContact O-N 2.92Å; K70-I74 WeakPolarHBondContact O-CG1 3.41Å; K70-I74 PolarHBondContact O-N 3.06Å; K70-F80 HydrophobicContact CB-CE2 4.4Å; K70-F80 HydrophobicContact CB-CZ 3.8Å; K70-F80 HydrophobicContact CD-CZ 4.39Å; K70-F80 HydrophobicContact CG-CE1 4.49Å; K70-F80 HydrophobicContact CG-CZ 3.78Å; K70-L194 WeakPolarHBondContact CD-O 3.45Å; K70-L194 PolarHBondContact NZ-O 3.3Å; K70-L195 HydrophobicContact CB-CD2 3.8Å; K70-C197 PolarHBondContact NZ-O 3.07Å
71	Q	94.4	Very high	91.5	Very high	0 Å²	0	33.8 Å²	33.8	0%	0	19%	0.186	C	C	.	.	H	α-helix	trans	-62.9	-42.5	175.3	-69.9	-70.1	14.7	0	0	112.5	T67 I68 V69 R73 I74 L75 L195 A363 T366 I369	T67-Q71 WeakPolarHBondContact O-CG 3.38Å; T67-Q71 PolarHBondContact O-N 3.44Å; I68-Q71 WeakPolarHBondContact O-CB 3.14Å; I68-Q71 PolarHBondContact O-N 3.18Å; V69-Q71 VanDerWaalsContact C-N 3.26Å; V69-Q71 PolarHBondContact O-N 2.76Å; Q71-R73 PolarHBondContact O-N 2.85Å; Q71-I74 PolarHBondContact O-N 3.21Å; Q71-I74 VanDerWaalsContact O-N 3.15Å; Q71-L75 WeakPolarHBondContact O-CB 3.45Å; Q71-L75 WeakPolarHBondContact O-CG 3.27Å; Q71-L75 PolarHBondContact O-N 3.18Å; Q71-L195 HydrophobicContact CG-CD2 3.75Å; Q71-L195 VanDerWaalsContact NE2-CD1 3.32Å; Q71-A363 WeakPolarHBondContact CG-O 3.47Å; Q71-A363 PolarHBondContact NE2-O 3.45Å; Q71-T366 PolarHBondContact NE2-OG1 3.21Å; Q71-T366 PolarHBondContact OE1-OG1 3.08Å; Q71-I369 HydrophobicContact CB-CB 4.41Å; Q71-I369 HydrophobicContact CB-CG2 3.84Å; Q71-I369 HydrophobicContact CG-CB 4.34Å; Q71-I369 HydrophobicContact CG-CG1 4.18Å; Q71-I369 HydrophobicContact CG-CG2 4.26Å
72	M	92.6	Very high	91.4	Very high	1 Å²	1	36.6 Å²	36.6	1%	0.005	21%	0.207	C	C	.	.	H	α-helix	trans	-62.6	-34.4	176	-62.3	-57.9	151.9	0	0	112.2	I68 V69 H76 F209 M218 I369 F373	I68-M72 HydrophobicContact CG2-CE 4.22Å; I68-M72 WeakPolarHBondContact O-CG 3.4Å; I68-M72 PolarHBondContact O-N 2.98Å; I68-M72 VanDerWaalsContact O-N 3.08Å; V69-M72 PolarHBondContact O-N 3.02Å; V69-M72 VanDerWaalsContact O-N 3.17Å; M72-H76 WeakPolarHBondContact O-CB 3.49Å; M72-H76 PolarHBondContact O-N 2.75Å; M72-F209 HydrophobicContact CB-CD1 4.24Å; M72-F209 HydrophobicContact CB-CE1 3.95Å; M72-F209 HydrophobicContact CB-CZ 4.15Å; M72-F209 HydrophobicContact CG-CE1 4.09Å; M72-F209 HydrophobicContact CG-CZ 3.95Å; M72-F209 HydrophobicContact SD-CE2 4.15Å; M72-F209 HydrophobicContact SD-CZ 3.9Å; M72-M218 HydrophobicContact CB-SD 4.43Å; M72-M218 HydrophobicContact CG-CE 3.77Å; M72-M218 HydrophobicContact CG-SD 3.61Å; M72-M218 HydrophobicContact SD-SD 4.48Å; M72-I369 HydrophobicContact CE-CG2 3.79Å; M72-F373 HydrophobicContact CE-CB 3.97Å; M72-F373 HydrophobicContact CE-CD1 4.43Å; M72-F373 HydrophobicContact CE-CD2 3.34Å; M72-F373 HydrophobicContact CE-CE2 3.89Å; M72-F373 HydrophobicContact CE-CG 3.65Å; M72-F373 HydrophobicContact SD-CD1 4.31Å; M72-F373 HydrophobicContact SD-CD2 3.97Å; M72-F373 HydrophobicContact SD-CE1 4.38Å; M72-F373 HydrophobicContact SD-CE2 4.03Å; M72-F373 HydrophobicContact SD-CG 4.11Å; M72-F373 HydrophobicContact SD-CZ 4.24Å
73	R	91.3	Very high	91.3	Very high	56 Å²	56	39.7 Å²	39.7	21%	0.211	22%	0.221	C	C	.	.	H	α-helix	trans	-65.1	-45.2	172.9	-69	-172.3	57.3	-173.2	-8.9	112.3	V69 K70 Q71 V77 G79 E84 T207	V69-R73 PolarHBondContact O-N 2.75Å; V69-R73 VanDerWaalsContact O-N 3.1Å; K70-R73 WeakPolarHBondContact O-CB 3.42Å; K70-R73 PolarHBondContact O-N 2.92Å; Q71-R73 PolarHBondContact O-N 2.85Å; R73-V77 HydrophobicContact CB-CB 4.41Å; R73-V77 CarbonylContact O-C 3.59Å; R73-V77 VanDerWaalsContact O-C 3.25Å; R73-V77 WeakPolarHBondContact O-CA 3.04Å; R73-V77 PolarHBondContact O-N 3.34Å; R73-G79 PolarHBondContact NH2-O 3.41Å; R73-G79 WeakPolarHBondContact O-CA 3.14Å; R73-G79 PolarHBondContact O-N 3.17Å; R73-E84 IonicContact CZ-OE1 3.09Å; R73-E84 VanDerWaalsContact CZ-OE1 3.24Å; R73-E84 IonicContact CZ-OE2 2.9Å; R73-E84 IonicContact NH1-OE1 3.26Å; R73-E84 PolarHBondContact NH1-OE1 2.99Å; R73-E84 IonicContact NH2-OE1 2.7Å; R73-E84 PolarHBondContact NH2-OE1 3.47Å; R73-E84 IonicContact NH2-OE2 2.8Å; R73-E84 PolarHBondContact NH2-OE2 3.43Å; R73-T207 HydrophobicContact CG-CG2 3.99Å
74	I	91.4	Very high	91	Very high	35 Å²	35	41.8 Å²	41.8	18%	0.179	23%	0.231	C	C	.	.	H	α-helix	trans	-61.5	-46.4	177	-68.9	164.4	0	0	0	110.8	K70 Q71 F80 D191 L195 T366	K70-I74 WeakPolarHBondContact O-CG1 3.41Å; K70-I74 PolarHBondContact O-N 3.06Å; Q71-I74 PolarHBondContact O-N 3.21Å; Q71-I74 VanDerWaalsContact O-N 3.15Å; I74-F80 HydrophobicContact CD1-CE2 3.96Å; I74-F80 HydrophobicContact CG1-CD2 4.18Å; I74-F80 HydrophobicContact CG1-CE2 3.76Å; I74-D191 HydrophobicContact CD1-CB 4.1Å; I74-L195 HydrophobicContact CD1-CD1 3.86Å; I74-L195 HydrophobicContact CD1-CD2 3.93Å; I74-L195 HydrophobicContact CD1-CG 3.85Å; I74-T366 HydrophobicContact CG2-CG2 4.29Å
75	L	90.3	Very high	90.8	Very high	28 Å²	28	43.2 Å²	43.2	15%	0.147	23%	0.234	C	C	.	.	H	α-helix	trans	-75.2	-33.3	-175.2	-68.6	172	0	0	0	113.4	Q71 T366 I369 R370	Q71-L75 WeakPolarHBondContact O-CB 3.45Å; Q71-L75 WeakPolarHBondContact O-CG 3.27Å; Q71-L75 PolarHBondContact O-N 3.18Å; L75-T366 HydrophobicContact CD2-CG2 3.67Å; L75-T366 HydrophobicContact CG-CG2 4.22Å; L75-I369 HydrophobicContact CD1-CG2 4.43Å; L75-R370 HydrophobicContact CD1-CB 4.18Å; L75-R370 HydrophobicContact CD2-CB 4.28Å
76	H	88.8	Confident	90.7	Very high	54 Å²	54	49.4 Å²	49.4	25%	0.25	26%	0.261	C	S	.	.	H	α-helix	trans	-135.5	-4.7	-164.8	-55	-56.5	0	0	0	115.9	M72 F209 V211	M72-H76 WeakPolarHBondContact O-CB 3.49Å; M72-H76 PolarHBondContact O-N 2.75Å; H76-F209 HydrophobicContact CB-CB 3.9Å; H76-F209 HydrophobicContact CB-CD2 3.8Å; H76-F209 HydrophobicContact CB-CG 4.16Å; H76-F209 AromaticContact CD2-CD2 3.76Å; H76-F209 AromaticContact CD2-CE2 3.87Å; H76-F209 AromaticContact CG-CD2 3.95Å; H76-V211 HydrophobicContact CB-CG2 4.49Å
77	V	86.2	Confident	90.4	Very high	56 Å²	56	53.6 Å²	53.6	34%	0.339	28%	0.277	S	S	.	.	S	Bend	trans	-132.9	40.6	-175.4	-160.3	0	0	0	0	111.7	R73 G79 F209	R73-V77 HydrophobicContact CB-CB 4.41Å; R73-V77 CarbonylContact O-C 3.59Å; R73-V77 VanDerWaalsContact O-C 3.25Å; R73-V77 WeakPolarHBondContact O-CA 3.04Å; R73-V77 PolarHBondContact O-N 3.34Å; V77-G79 PolarHBondContact O-N 3.08Å; V77-F209 HydrophobicContact CG2-CB 3.53Å
78	N	83.3	Confident	90.3	Very high	172 Å²	172	55.2 Å²	55.2	92%	0.92	28%	0.282	S	S	*	.			trans	50.9	26.4	179.3	-64.5	-22.6	0	0	0	114.5
79	G	85.1	Confident	90.3	Very high	8 Å²	8	56.9 Å²	56.9	8%	0.082	29%	0.29	C	S	.	.			trans	61.8	-136.3	176.5	0	0	0	0	0	115.3	R73 V77	R73-G79 PolarHBondContact NH2-O 3.41Å; R73-G79 WeakPolarHBondContact O-CA 3.14Å; R73-G79 PolarHBondContact O-N 3.17Å; V77-G79 PolarHBondContact O-N 3.08Å
80	F	87.5	Confident	90.3	Very high	25 Å²	25	60.3 Å²	60.3	11%	0.11	31%	0.306	C	S	.	.			trans	-113.4	129.9	-178.1	-61.5	-84.6	0	0	0	109.9	K70 I74 E84 K85 L194	K70-F80 HydrophobicContact CB-CE2 4.4Å; K70-F80 HydrophobicContact CB-CZ 3.8Å; K70-F80 HydrophobicContact CD-CZ 4.39Å; K70-F80 HydrophobicContact CG-CE1 4.49Å; K70-F80 HydrophobicContact CG-CZ 3.78Å; I74-F80 HydrophobicContact CD1-CE2 3.96Å; I74-F80 HydrophobicContact CG1-CD2 4.18Å; I74-F80 HydrophobicContact CG1-CE2 3.76Å; F80-E84 WeakPolarHBondContact CA-OE2 3.4Å; F80-K85 HydrophobicContact CB-CG 4.18Å; F80-K85 WeakPolarHBondContact O-CE 3.45Å; F80-L194 HydrophobicContact CB-CD1 3.66Å; F80-L194 HydrophobicContact CD1-CD1 4.28Å; F80-L194 HydrophobicContact CD2-CB 4.4Å; F80-L194 HydrophobicContact CD2-CD1 3.38Å; F80-L194 HydrophobicContact CE2-CB 4.3Å; F80-L194 HydrophobicContact CE2-CD1 4.09Å; F80-L194 HydrophobicContact CG-CD1 3.5Å
81	N	89.8	Confident	90.4	Very high	88 Å²	88	60.8 Å²	60.8	47%	0.471	31%	0.31	S	S	.	.			trans	-78.2	168.5	178.3	69.9	47.8	0	0	0	111.7	E83 E84 K85	N81-E83 VanDerWaalsContact C-N 3.29Å; N81-E83 PolarHBondContact O-N 3.29Å; N81-E83 PolarHBondContact OD1-N 3.11Å; N81-E83 VanDerWaalsContact OD1-N 3.1Å; N81-E84 PolarHBondContact N-OE2 3.39Å; N81-E84 PolarHBondContact ND2-OE2 3.11Å; N81-E84 PolarHBondContact O-N 3.43Å; N81-E84 WeakPolarHBondContact OD1-CG 3.25Å; N81-E84 PolarHBondContact OD1-N 2.96Å; N81-K85 WeakPolarHBondContact O-CG 3.45Å; N81-K85 PolarHBondContact O-N 2.8Å
82	A	89.1	Confident	90.5	Very high	85 Å²	85	60.8 Å²	60.8	70%	0.702	31%	0.31	S	S	*	.	H	α-helix	trans	-60.8	-35.3	-176	0	0	0	0	0	113.6	K85 K86	A82-K85 PolarHBondContact O-N 2.89Å; A82-K86 WeakPolarHBondContact O-CB 3.45Å; A82-K86 PolarHBondContact O-N 3.27Å
83	E	89.6	Confident	90.6	Very high	104 Å²	104	63 Å²	63	49%	0.486	32%	0.319	S	S	.	.	H	α-helix	trans	-70.4	-43	179.2	-177.3	55.5	-148	0	0	111.1	N81 K85 K86 Q87	N81-E83 VanDerWaalsContact C-N 3.29Å; N81-E83 PolarHBondContact O-N 3.29Å; N81-E83 PolarHBondContact OD1-N 3.11Å; N81-E83 VanDerWaalsContact OD1-N 3.1Å; E83-K85 VanDerWaalsContact C-N 3.34Å; E83-K85 PolarHBondContact O-N 3.05Å; E83-K86 WeakPolarHBondContact O-CB 3.47Å; E83-K86 PolarHBondContact O-N 3.42Å; E83-Q87 WeakPolarHBondContact O-CG 3.5Å; E83-Q87 PolarHBondContact O-N 3.21Å; E83-Q87 PolarHBondContact OE1-NE2 3.45Å; E83-Q87 VanDerWaalsContact OE1-NE2 3.1Å
84	E	88.4	Confident	90.8	Very high	47 Å²	47	63 Å²	63	22%	0.22	32%	0.324	C	S	.	.	H	α-helix	trans	-60.9	-44.2	172.6	-70.3	177.4	123.2	0	0	111.2	R73 F80 N81 K86 Q87 K88	R73-E84 IonicContact CZ-OE1 3.09Å; R73-E84 VanDerWaalsContact CZ-OE1 3.24Å; R73-E84 IonicContact CZ-OE2 2.9Å; R73-E84 IonicContact NH1-OE1 3.26Å; R73-E84 PolarHBondContact NH1-OE1 2.99Å; R73-E84 IonicContact NH2-OE1 2.7Å; R73-E84 PolarHBondContact NH2-OE1 3.47Å; R73-E84 IonicContact NH2-OE2 2.8Å; R73-E84 PolarHBondContact NH2-OE2 3.43Å; F80-E84 WeakPolarHBondContact CA-OE2 3.4Å; N81-E84 PolarHBondContact N-OE2 3.39Å; N81-E84 PolarHBondContact ND2-OE2 3.11Å; N81-E84 PolarHBondContact O-N 3.43Å; N81-E84 WeakPolarHBondContact OD1-CG 3.25Å; N81-E84 PolarHBondContact OD1-N 2.96Å; E84-K86 VanDerWaalsContact C-N 3.29Å; E84-K86 PolarHBondContact O-N 3.33Å; E84-Q87 PolarHBondContact O-N 3.15Å; E84-K88 VanDerWaalsContact O-CG 3.31Å; E84-K88 WeakPolarHBondContact O-CG 3.45Å; E84-K88 PolarHBondContact O-N 2.98Å
85	K	92.2	Very high	91	Very high	41 Å²	41	61.7 Å²	61.7	18%	0.178	32%	0.317	C	S	.	.	H	α-helix	trans	-58.1	-43.7	176	-72.9	-172.3	179.4	-153.3	0	111.4	F80 N81 A82 E83 K88 I89 T188 D191 L194	F80-K85 HydrophobicContact CB-CG 4.18Å; F80-K85 WeakPolarHBondContact O-CE 3.45Å; N81-K85 WeakPolarHBondContact O-CG 3.45Å; N81-K85 PolarHBondContact O-N 2.8Å; A82-K85 PolarHBondContact O-N 2.89Å; E83-K85 VanDerWaalsContact C-N 3.34Å; E83-K85 PolarHBondContact O-N 3.05Å; K85-K88 PolarHBondContact O-N 3.15Å; K85-I89 PolarHBondContact O-N 2.85Å; K85-T188 HydrophobicContact CD-CG2 4.35Å; K85-D191 WeakPolarHBondContact CE-OD1 3.33Å; K85-D191 IonicContact NZ-OD1 2.81Å; K85-D191 PolarHBondContact NZ-OD1 3.37Å; K85-L194 HydrophobicContact CG-CD1 3.97Å
86	K	91.6	Very high	91.4	Very high	139 Å²	139	60.3 Å²	60.3	60%	0.604	31%	0.31	S	S	*	.	H	α-helix	trans	-62.3	-44.5	177.4	-171.7	-179.8	179.9	-176.3	0	112.1	A82 E83 E84 K88 I89	A82-K86 WeakPolarHBondContact O-CB 3.45Å; A82-K86 PolarHBondContact O-N 3.27Å; E83-K86 WeakPolarHBondContact O-CB 3.47Å; E83-K86 PolarHBondContact O-N 3.42Å; E84-K86 VanDerWaalsContact C-N 3.29Å; E84-K86 PolarHBondContact O-N 3.33Å; K86-K88 PolarHBondContact O-N 3.35Å; K86-I89 WeakPolarHBondContact O-CB 3.49Å; K86-I89 PolarHBondContact O-N 2.7Å
87	Q	89.5	Confident	91.7	Very high	118 Å²	118	58.5 Å²	58.5	55%	0.551	30%	0.301	S	S	*	.	H	α-helix	trans	-62.7	-32.1	176.3	-69.1	172.4	10.5	0	0	112.1	E83 E84 I89	E83-Q87 WeakPolarHBondContact O-CG 3.5Å; E83-Q87 PolarHBondContact O-N 3.21Å; E83-Q87 PolarHBondContact OE1-NE2 3.45Å; E83-Q87 VanDerWaalsContact OE1-NE2 3.1Å; E84-Q87 PolarHBondContact O-N 3.15Å; Q87-I89 VanDerWaalsContact C-N 3.35Å; Q87-I89 PolarHBondContact O-N 2.82Å
88	K	93.4	Very high	92.1	Very high	59 Å²	59	58.6 Å²	58.6	26%	0.257	30%	0.298	S	S	.	.	H	α-helix	trans	-76.6	-13.6	177.5	-67.1	-53.6	-175.6	-161.5	0	115.3	E84 K85 K86 Q90 D91 I92 L194	E84-K88 VanDerWaalsContact O-CG 3.31Å; E84-K88 WeakPolarHBondContact O-CG 3.45Å; E84-K88 PolarHBondContact O-N 2.98Å; K85-K88 PolarHBondContact O-N 3.15Å; K86-K88 PolarHBondContact O-N 3.35Å; K88-Q90 VanDerWaalsContact C-N 3.26Å; K88-Q90 PolarHBondContact O-N 3.42Å; K88-D91 HydrophobicContact CD-CB 4.35Å; K88-D91 WeakPolarHBondContact CD-OD2 3.36Å; K88-D91 WeakPolarHBondContact CE-OD2 3.28Å; K88-D91 IonicContact NZ-OD2 3.24Å; K88-D91 PolarHBondContact NZ-OD2 2.94Å; K88-D91 PolarHBondContact O-N 3.28Å; K88-I92 WeakPolarHBondContact O-CG1 3.24Å; K88-I92 PolarHBondContact O-N 3.08Å; K88-L194 HydrophobicContact CB-CD2 3.49Å; K88-L194 VanDerWaalsContact CB-CD2 3.49Å; K88-L194 HydrophobicContact CG-CD2 3.76Å
89	I	94.9	Very high	92.8	Very high	34 Å²	34	50.5 Å²	50.5	17%	0.174	26%	0.255	C	S	.	.	H	α-helix	trans	-58.5	-43.9	173.2	-66.2	169.9	0	0	0	110.1	K85 K86 Q87 I92 K93 Y187 P189	K85-I89 PolarHBondContact O-N 2.85Å; K86-I89 WeakPolarHBondContact O-CB 3.49Å; K86-I89 PolarHBondContact O-N 2.7Å; Q87-I89 VanDerWaalsContact C-N 3.35Å; Q87-I89 PolarHBondContact O-N 2.82Å; I89-I92 PolarHBondContact O-N 3.35Å; I89-K93 HydrophobicContact CG2-CD 4.15Å; I89-K93 HydrophobicContact CG2-CG 4.44Å; I89-K93 WeakPolarHBondContact O-CG 3.45Å; I89-K93 PolarHBondContact O-N 3.39Å; I89-Y187 VanDerWaalsContact CD1-O 3.32Å; I89-Y187 WeakPolarHBondContact CD1-O 3.31Å; I89-Y187 HydrophobicContact CG1-CD1 4.25Å; I89-Y187 HydrophobicContact CG1-CE1 4.37Å; I89-Y187 HydrophobicContact CG2-CD1 4.23Å; I89-P189 HydrophobicContact CG1-CG 3.66Å
90	Q	93.4	Very high	93.4	Very high	85 Å²	85	50.1 Å²	50.1	40%	0.397	25%	0.251	S	S	.	.	H	α-helix	trans	-64	-43.3	-179.9	-169.3	59.9	40.6	0	0	111.8	K88 I92 K93 N94	K88-Q90 VanDerWaalsContact C-N 3.26Å; K88-Q90 PolarHBondContact O-N 3.42Å; Q90-I92 VanDerWaalsContact C-N 3.3Å; Q90-I92 PolarHBondContact O-N 3.45Å; Q90-K93 PolarHBondContact O-N 2.98Å; Q90-N94 PolarHBondContact NE2-OD1 3.3Å; Q90-N94 WeakPolarHBondContact O-CB 3.37Å; Q90-N94 PolarHBondContact O-N 2.95Å; Q90-N94 PolarHBondContact O-ND2 3.2Å
91	D	94.8	Very high	93.8	Very high	42 Å²	42	49.7 Å²	49.7	23%	0.225	25%	0.249	C	C	.	.	H	α-helix	trans	-60.1	-40.9	176.5	-69.3	-21.4	0	0	0	111.7	K88 N94 N95 C197 V199	K88-D91 HydrophobicContact CD-CB 4.35Å; K88-D91 WeakPolarHBondContact CD-OD2 3.36Å; K88-D91 WeakPolarHBondContact CE-OD2 3.28Å; K88-D91 IonicContact NZ-OD2 3.24Å; K88-D91 PolarHBondContact NZ-OD2 2.94Å; K88-D91 PolarHBondContact O-N 3.28Å; D91-N94 PolarHBondContact O-N 3.36Å; D91-N95 PolarHBondContact O-N 3.11Å; D91-N95 PolarHBondContact O-ND2 3.31Å; D91-C197 VanDerWaalsContact CB-SG 3.53Å; D91-V199 HydrophobicContact CB-CG2 4.18Å; D91-V199 WeakPolarHBondContact OD2-CG2 3.39Å
92	I	96.8	Very high	94.2	Very high	0 Å²	0	47.2 Å²	47.2	0%	0	24%	0.237	C	C	.	.	H	α-helix	trans	-66.9	-44	178.4	-69.3	165	0	0	0	111.2	K88 I89 Q90 N94 N95 I96 F175 V182 Y187 P189 D193 C197	K88-I92 WeakPolarHBondContact O-CG1 3.24Å; K88-I92 PolarHBondContact O-N 3.08Å; I89-I92 PolarHBondContact O-N 3.35Å; Q90-I92 VanDerWaalsContact C-N 3.3Å; Q90-I92 PolarHBondContact O-N 3.45Å; I92-N94 VanDerWaalsContact C-N 3.32Å; I92-N94 PolarHBondContact O-N 3.36Å; I92-N95 WeakPolarHBondContact O-CB 3.24Å; I92-N95 PolarHBondContact O-N 3.11Å; I92-N95 VanDerWaalsContact O-N 3.14Å; I92-I96 PolarHBondContact O-N 2.7Å; I92-I96 VanDerWaalsContact O-N 3.08Å; I92-F175 HydrophobicContact CB-CE1 4.39Å; I92-F175 HydrophobicContact CD1-CE1 4.46Å; I92-F175 HydrophobicContact CG1-CE1 4.09Å; I92-F175 HydrophobicContact CG1-CZ 3.98Å; I92-F175 HydrophobicContact CG2-CD1 3.72Å; I92-F175 HydrophobicContact CG2-CE1 3.54Å; I92-F175 HydrophobicContact CG2-CG 4.43Å; I92-F175 HydrophobicContact CG2-CZ 4.11Å; I92-V182 HydrophobicContact CG2-CG1 4.04Å; I92-V182 HydrophobicContact CG2-CG2 4.15Å; I92-Y187 HydrophobicContact CD1-CE1 4.44Å; I92-P189 HydrophobicContact CD1-CB 3.71Å; I92-P189 HydrophobicContact CD1-CG 3.68Å; I92-D193 HydrophobicContact CD1-CB 3.97Å; I92-C197 HydrophobicContact CG1-CB 3.91Å
93	K	95.9	Very high	94.6	Very high	46 Å²	46	43.1 Å²	43.1	20%	0.2	20%	0.204	C	C	.	.	H	α-helix	trans	-59.9	-44.5	174.7	-71.7	-179	175.3	-172.8	0	111.2	I89 Q90 N95 I96 K97 F139 Y144 V182	I89-K93 HydrophobicContact CG2-CD 4.15Å; I89-K93 HydrophobicContact CG2-CG 4.44Å; I89-K93 WeakPolarHBondContact O-CG 3.45Å; I89-K93 PolarHBondContact O-N 3.39Å; Q90-K93 PolarHBondContact O-N 2.98Å; K93-N95 VanDerWaalsContact C-N 3.3Å; K93-N95 PolarHBondContact O-N 3.01Å; K93-I96 WeakPolarHBondContact O-CB 3.13Å; K93-I96 PolarHBondContact O-N 3.47Å; K93-I96 VanDerWaalsContact O-N 3.17Å; K93-K97 PolarHBondContact O-N 3.08Å; K93-F139 VanDerWaalsContact C-CE1 3.47Å; K93-F139 HydrophobicContact CB-CD1 3.83Å; K93-F139 HydrophobicContact CB-CD2 4.17Å; K93-F139 HydrophobicContact CB-CE1 3.65Å; K93-F139 HydrophobicContact CB-CE2 4.07Å; K93-F139 HydrophobicContact CB-CG 4.09Å; K93-F139 HydrophobicContact CB-CZ 3.79Å; K93-F139 HydrophobicContact CD-CB 4.28Å; K93-F139 HydrophobicContact CD-CD1 4.48Å; K93-F139 HydrophobicContact CD-CD2 4.19Å; K93-F139 HydrophobicContact CD-CG 4.05Å; K93-F139 HydrophobicContact CG-CD1 4.46Å; K93-F139 WeakPolarHBondContact O-CE1 3.16Å; K93-Y144 VanDerWaalsContact CD-OH 3.25Å; K93-Y144 WeakPolarHBondContact CD-OH 3.23Å; K93-Y144 WeakPolarHBondContact CE-OH 3.29Å; K93-Y144 WeakPolarHBondContact CG-OH 3.43Å; K93-V182 HydrophobicContact CG-CG1 4.12Å
94	N	95.1	Very high	95	Very high	58 Å²	58	38.4 Å²	38.4	31%	0.31	18%	0.182	S	C	.	.	H	α-helix	trans	-60.6	-37.3	174.3	-69.4	-16.9	0	0	0	112.2	Q90 D91 I92 K97 E98 F139	Q90-N94 PolarHBondContact NE2-OD1 3.3Å; Q90-N94 WeakPolarHBondContact O-CB 3.37Å; Q90-N94 PolarHBondContact O-N 2.95Å; Q90-N94 PolarHBondContact O-ND2 3.2Å; D91-N94 PolarHBondContact O-N 3.36Å; I92-N94 VanDerWaalsContact C-N 3.32Å; I92-N94 PolarHBondContact O-N 3.36Å; N94-K97 PolarHBondContact O-N 2.74Å; N94-E98 WeakPolarHBondContact O-CB 3.48Å; N94-E98 PolarHBondContact O-N 2.87Å; N94-F139 VanDerWaalsContact OD1-CZ 3.23Å; N94-F139 WeakPolarHBondContact OD1-CZ 3.36Å
95	N	96.4	Very high	95.3	Very high	6 Å²	6	38.9 Å²	38.9	3%	0.032	19%	0.188	C	C	.	.	H	α-helix	trans	-65.4	-38.1	175	-67.5	169.8	0	0	0	112.5	D91 I92 K93 A99 I169 F175 R198	D91-N95 PolarHBondContact O-N 3.11Å; D91-N95 PolarHBondContact O-ND2 3.31Å; I92-N95 WeakPolarHBondContact O-CB 3.24Å; I92-N95 PolarHBondContact O-N 3.11Å; I92-N95 VanDerWaalsContact O-N 3.14Å; K93-N95 VanDerWaalsContact C-N 3.3Å; K93-N95 PolarHBondContact O-N 3.01Å; N95-A99 WeakPolarHBondContact O-CB 3.46Å; N95-A99 PolarHBondContact O-N 3.22Å; N95-I169 HydrophobicContact CB-CD1 3.84Å; N95-I169 WeakPolarHBondContact O-CD1 3.5Å; N95-F175 HydrophobicContact CB-CD2 4.09Å; N95-F175 HydrophobicContact CB-CE2 4.28Å; N95-R198 PolarHBondContact ND2-O 3.49Å; N95-R198 PolarHBondContact OD1-N 2.92Å; N95-R198 PolarHBondContact OD1-O 3.22Å
96	I	97.1	Very high	95.6	Very high	0 Å²	0	37.1 Å²	37.1	0%	0	18%	0.181	C	C	.	.	H	α-helix	trans	-61.8	-47.8	173.3	-69	173.1	0	0	0	110.4	I92 K93 A99 I100 F143 F175 L176 I179 V182	I92-I96 PolarHBondContact O-N 2.7Å; I92-I96 VanDerWaalsContact O-N 3.08Å; K93-I96 WeakPolarHBondContact O-CB 3.13Å; K93-I96 PolarHBondContact O-N 3.47Å; K93-I96 VanDerWaalsContact O-N 3.17Å; I96-A99 PolarHBondContact O-N 2.86Å; I96-I100 WeakPolarHBondContact O-CG2 3.08Å; I96-I100 PolarHBondContact O-N 3.18Å; I96-F143 HydrophobicContact CG2-CE1 4.11Å; I96-F143 HydrophobicContact CG2-CZ 4.2Å; I96-F175 HydrophobicContact CD1-CB 4.37Å; I96-F175 HydrophobicContact CG1-CB 3.67Å; I96-L176 HydrophobicContact CG2-CD2 4.23Å; I96-I179 HydrophobicContact CD1-CG1 4.42Å; I96-I179 HydrophobicContact CG2-CG1 4.22Å; I96-V182 HydrophobicContact CD1-CB 3.84Å; I96-V182 HydrophobicContact CD1-CG1 3.67Å; I96-V182 HydrophobicContact CD1-CG2 4.08Å
97	K	96.1	Very high	95.9	Very high	15 Å²	15	30.9 Å²	30.9	7%	0.065	15%	0.154	C	C	.	.	H	α-helix	trans	-59.7	-52.8	177.6	-179	178.3	-175.8	-65	0	111.8	K93 N94 A99 I100 E101 L131 F137 F139 F143	K93-K97 PolarHBondContact O-N 3.08Å; N94-K97 PolarHBondContact O-N 2.74Å; K97-A99 VanDerWaalsContact C-N 3.28Å; K97-A99 PolarHBondContact O-N 3.36Å; K97-I100 PolarHBondContact O-N 3.12Å; K97-E101 WeakPolarHBondContact CE-OE1 3.29Å; K97-E101 VanDerWaalsContact CG-CD 3.43Å; K97-E101 HydrophobicContact CG-CG 4.28Å; K97-E101 WeakPolarHBondContact CG-OE1 3.38Å; K97-E101 VanDerWaalsContact NZ-CD 3.25Å; K97-E101 IonicContact NZ-OE1 3.23Å; K97-E101 PolarHBondContact NZ-OE1 3.45Å; K97-E101 IonicContact NZ-OE2 2.89Å; K97-E101 PolarHBondContact NZ-OE2 3.34Å; K97-E101 VanDerWaalsContact O-CB 3.25Å; K97-E101 WeakPolarHBondContact O-CB 3.38Å; K97-E101 WeakPolarHBondContact O-CG 3.42Å; K97-E101 PolarHBondContact O-N 3.39Å; K97-L131 WeakPolarHBondContact CE-O 3.33Å; K97-L131 PolarHBondContact NZ-O 2.88Å; K97-F137 HydrophobicContact CD-CB 4.43Å; K97-F137 HydrophobicContact CD-CD1 3.97Å; K97-F137 HydrophobicContact CD-CG 4.35Å; K97-F139 HydrophobicContact CB-CE1 3.9Å; K97-F139 HydrophobicContact CB-CZ 4.3Å; K97-F139 HydrophobicContact CD-CE1 4.25Å; K97-F139 HydrophobicContact CD-CZ 4.12Å; K97-F143 HydrophobicContact CB-CE2 4.33Å; K97-F143 HydrophobicContact CB-CZ 3.82Å; K97-F143 HydrophobicContact CG-CE2 4.3Å; K97-F143 HydrophobicContact CG-CZ 4.29Å
98	E	95.3	Very high	96.2	Very high	59 Å²	59	29.8 Å²	29.8	28%	0.276	16%	0.16	S	C	.	.	H	α-helix	trans	-56.2	-43.8	177	-176.2	-176.3	170.2	0	0	111	N94 T102 I169 R198 R255	N94-E98 WeakPolarHBondContact O-CB 3.48Å; N94-E98 PolarHBondContact O-N 2.87Å; E98-T102 WeakPolarHBondContact O-CB 3.31Å; E98-T102 PolarHBondContact O-N 2.78Å; E98-T102 PolarHBondContact O-OG1 2.96Å; E98-I169 HydrophobicContact CG-CG2 4.05Å; E98-I169 WeakPolarHBondContact OE1-CG2 3.41Å; E98-R198 IonicContact OE1-NH1 2.97Å; E98-R255 IonicContact OE1-CZ 3.82Å; E98-R255 IonicContact OE1-NH1 2.91Å; E98-R255 PolarHBondContact OE1-NH1 3.35Å; E98-R255 IonicContact OE1-NH2 3.87Å; E98-R255 PolarHBondContact OE1-NH2 3.09Å
99	A	97.4	Very high	96.2	Very high	1 Å²	1	31.4 Å²	31.4	1%	0.008	17%	0.174	C	C	.	.	H	α-helix	trans	-62.4	-54	-178.8	0	0	0	0	0	112.4	N95 I96 K97 T102 I103 I169 A172 L176	N95-A99 WeakPolarHBondContact O-CB 3.46Å; N95-A99 PolarHBondContact O-N 3.22Å; I96-A99 PolarHBondContact O-N 2.86Å; K97-A99 VanDerWaalsContact C-N 3.28Å; K97-A99 PolarHBondContact O-N 3.36Å; A99-T102 PolarHBondContact O-N 2.97Å; A99-I103 WeakPolarHBondContact O-CD1 3.31Å; A99-I103 VanDerWaalsContact O-CG1 3.26Å; A99-I103 WeakPolarHBondContact O-CG1 3.44Å; A99-I103 PolarHBondContact O-N 3.31Å; A99-I103 VanDerWaalsContact O-N 3.09Å; A99-I169 HydrophobicContact CB-CD1 4.16Å; A99-I169 HydrophobicContact CB-CG1 4.35Å; A99-A172 HydrophobicContact CB-CB 3.69Å; A99-L176 HydrophobicContact CB-CD1 4.12Å; A99-L176 HydrophobicContact CB-CG 4.29Å
100	I	97.8	Very high	96.3	Very high	0 Å²	0	30.2 Å²	30.2	0%	0	17%	0.169	C	C	.	.	H	α-helix	trans	-68.3	-39.9	-176.6	-165.1	63.7	0	0	0	111.8	I96 K97 T102 I103 V104 V128 F143 A147 L150 V156 L176	I96-I100 WeakPolarHBondContact O-CG2 3.08Å; I96-I100 PolarHBondContact O-N 3.18Å; K97-I100 PolarHBondContact O-N 3.12Å; I100-T102 PolarHBondContact O-N 3.47Å; I100-I103 PolarHBondContact O-N 3.12Å; I100-V104 HydrophobicContact CD1-CG2 4.31Å; I100-V104 HydrophobicContact CG1-CG2 4.33Å; I100-V104 WeakPolarHBondContact O-CB 3.42Å; I100-V104 VanDerWaalsContact O-CG2 3.32Å; I100-V104 WeakPolarHBondContact O-CG2 3.49Å; I100-V104 PolarHBondContact O-N 3.32Å; I100-V128 HydrophobicContact CG2-CG1 4.15Å; I100-F143 HydrophobicContact CG2-CE2 4.26Å; I100-F143 HydrophobicContact CG2-CZ 4.3Å; I100-A147 HydrophobicContact CB-CB 4.46Å; I100-A147 HydrophobicContact CG1-CB 4.19Å; I100-A147 HydrophobicContact CG2-CB 4.2Å; I100-L150 HydrophobicContact CD1-CB 4.09Å; I100-V156 HydrophobicContact CD1-CG1 4.42Å; I100-L176 HydrophobicContact CB-CD2 4.1Å; I100-L176 HydrophobicContact CD1-CD2 4.45Å
101	E	96.1	Very high	96.3	Very high	17 Å²	17	32 Å²	32	8%	0.079	19%	0.185	C	C	.	.	H	α-helix	trans	-61.2	-44.7	176.6	-74.8	175.6	170.4	0	0	111.4	K97 T105 V128 V132	K97-E101 WeakPolarHBondContact CE-OE1 3.29Å; K97-E101 VanDerWaalsContact CG-CD 3.43Å; K97-E101 HydrophobicContact CG-CG 4.28Å; K97-E101 WeakPolarHBondContact CG-OE1 3.38Å; K97-E101 VanDerWaalsContact NZ-CD 3.25Å; K97-E101 IonicContact NZ-OE1 3.23Å; K97-E101 PolarHBondContact NZ-OE1 3.45Å; K97-E101 IonicContact NZ-OE2 2.89Å; K97-E101 PolarHBondContact NZ-OE2 3.34Å; K97-E101 VanDerWaalsContact O-CB 3.25Å; K97-E101 WeakPolarHBondContact O-CB 3.38Å; K97-E101 WeakPolarHBondContact O-CG 3.42Å; K97-E101 PolarHBondContact O-N 3.39Å; E101-T105 WeakPolarHBondContact O-CB 3.39Å; E101-T105 PolarHBondContact O-N 3.2Å; E101-T105 PolarHBondContact O-OG1 3.5Å; E101-V128 HydrophobicContact CB-CG1 4.33Å; E101-V128 HydrophobicContact CG-CG1 3.57Å; E101-V132 HydrophobicContact CB-CG2 4.2Å; E101-V132 HydrophobicContact CG-CG2 4.02Å
102	T	97	Very high	96.4	Very high	35 Å²	35	34.4 Å²	34.4	22%	0.215	20%	0.203	C	C	.	.	H	α-helix	trans	-64	-45.7	179.6	-59.7	0	0	0	0	111.4	E98 A99 I100 T105 A106 Y166 L168	E98-T102 WeakPolarHBondContact O-CB 3.31Å; E98-T102 PolarHBondContact O-N 2.78Å; E98-T102 PolarHBondContact O-OG1 2.96Å; A99-T102 PolarHBondContact O-N 2.97Å; I100-T102 PolarHBondContact O-N 3.47Å; T102-T105 PolarHBondContact O-N 3.29Å; T102-A106 WeakPolarHBondContact O-CB 3.27Å; T102-A106 PolarHBondContact O-N 2.95Å; T102-Y166 HydrophobicContact CG2-CD2 3.83Å; T102-Y166 HydrophobicContact CG2-CE2 4.06Å; T102-L168 HydrophobicContact CG2-CD1 4.01Å
103	I	98.1	Very high	96.4	Very high	0 Å²	0	37.8 Å²	37.8	0%	0	23%	0.225	C	C	.	.	H	α-helix	trans	-63.3	-50.5	-179.4	-64.5	161.7	0	0	0	110.1	A99 I100 T105 A106 M107 W151 V156 C159 F160 L168 L176	A99-I103 WeakPolarHBondContact O-CD1 3.31Å; A99-I103 VanDerWaalsContact O-CG1 3.26Å; A99-I103 WeakPolarHBondContact O-CG1 3.44Å; A99-I103 PolarHBondContact O-N 3.31Å; A99-I103 VanDerWaalsContact O-N 3.09Å; I100-I103 PolarHBondContact O-N 3.12Å; I103-T105 VanDerWaalsContact C-N 3.33Å; I103-T105 PolarHBondContact O-N 2.89Å; I103-A106 WeakPolarHBondContact O-CB 3.36Å; I103-A106 PolarHBondContact O-N 2.93Å; I103-A106 VanDerWaalsContact O-N 3.08Å; I103-M107 PolarHBondContact O-N 3.42Å; I103-M107 VanDerWaalsContact O-N 3.17Å; I103-W151 HydrophobicContact CD1-CE3 4.48Å; I103-W151 HydrophobicContact CD1-CZ3 3.97Å; I103-V156 HydrophobicContact CG2-CG1 3.76Å; I103-C159 HydrophobicContact CG2-CB 4.11Å; I103-C159 PolarHBondContact O-SG 3.43Å; I103-C159 VanDerWaalsContact O-SG 3.34Å; I103-F160 HydrophobicContact CD1-CB 4.36Å; I103-F160 HydrophobicContact CD1-CD2 3.99Å; I103-L168 HydrophobicContact CD1-CD1 4.29Å; I103-L168 HydrophobicContact CD1-CD2 4.17Å; I103-L168 HydrophobicContact CG1-CD1 3.84Å; I103-L168 HydrophobicContact CG1-CD2 3.96Å; I103-L176 HydrophobicContact CD1-CD1 3.78Å
104	V	97.1	Very high	96.4	Very high	4 Å²	4	36.6 Å²	36.6	2%	0.024	22%	0.222	C	C	.	.	H	α-helix	trans	-64.2	-38.8	-178.3	171.1	0	0	0	0	111.6	I100 A106 M107 I125 L129 L150	I100-V104 HydrophobicContact CD1-CG2 4.31Å; I100-V104 HydrophobicContact CG1-CG2 4.33Å; I100-V104 WeakPolarHBondContact O-CB 3.42Å; I100-V104 VanDerWaalsContact O-CG2 3.32Å; I100-V104 WeakPolarHBondContact O-CG2 3.49Å; I100-V104 PolarHBondContact O-N 3.32Å; V104-A106 VanDerWaalsContact C-N 3.28Å; V104-A106 PolarHBondContact O-N 3.27Å; V104-M107 WeakPolarHBondContact O-CB 3.42Å; V104-M107 PolarHBondContact O-N 3.16Å; V104-I125 HydrophobicContact CG1-CB 3.92Å; V104-I125 HydrophobicContact CG1-CD1 4.05Å; V104-I125 HydrophobicContact CG1-CG1 3.67Å; V104-I125 HydrophobicContact CG1-CG2 3.53Å; V104-L129 HydrophobicContact CG1-CD2 4.21Å; V104-L129 HydrophobicContact CG1-CG 4.19Å; V104-L150 HydrophobicContact CG2-CD1 4.21Å
105	T	96.4	Very high	96.5	Very high	58 Å²	58	40.7 Å²	40.7	36%	0.356	24%	0.239	S	C	.	.	H	α-helix	trans	-62.5	-38.2	173.8	-59.1	0	0	0	0	111.3	E101 T102 I103 M107 S108 L129	E101-T105 WeakPolarHBondContact O-CB 3.39Å; E101-T105 PolarHBondContact O-N 3.2Å; E101-T105 PolarHBondContact O-OG1 3.5Å; T102-T105 PolarHBondContact O-N 3.29Å; I103-T105 VanDerWaalsContact C-N 3.33Å; I103-T105 PolarHBondContact O-N 2.89Å; T105-M107 VanDerWaalsContact C-N 3.32Å; T105-M107 PolarHBondContact O-N 3.49Å; T105-S108 PolarHBondContact O-OG 3.47Å; T105-L129 WeakPolarHBondContact OG1-CD2 3.2Å
106	A	97.4	Very high	96.5	Very high	4 Å²	4	41.5 Å²	41.5	3%	0.033	24%	0.243	C	C	.	.	H	α-helix	trans	-69.5	-26.8	-179.7	0	0	0	0	0	113.5	T102 I103 V104 S108 T109 L110 Y166	T102-A106 WeakPolarHBondContact O-CB 3.27Å; T102-A106 PolarHBondContact O-N 2.95Å; I103-A106 WeakPolarHBondContact O-CB 3.36Å; I103-A106 PolarHBondContact O-N 2.93Å; I103-A106 VanDerWaalsContact O-N 3.08Å; V104-A106 VanDerWaalsContact C-N 3.28Å; V104-A106 PolarHBondContact O-N 3.27Å; A106-S108 PolarHBondContact O-N 3.31Å; A106-S108 VanDerWaalsContact O-N 3.15Å; A106-T109 WeakPolarHBondContact CA-OG1 3.5Å; A106-T109 PolarHBondContact O-N 3.44Å; A106-T109 PolarHBondContact O-OG1 3.1Å; A106-L110 VanDerWaalsContact O-CG 3.27Å; A106-L110 WeakPolarHBondContact O-CG 3.39Å; A106-L110 PolarHBondContact O-N 2.92Å; A106-Y166 HydrophobicContact CB-CD1 3.5Å; A106-Y166 HydrophobicContact CB-CD2 3.81Å; A106-Y166 HydrophobicContact CB-CE1 3.5Å; A106-Y166 HydrophobicContact CB-CE2 3.82Å; A106-Y166 HydrophobicContact CB-CG 3.65Å
107	M	97.6	Very high	96.5	Very high	7 Å²	7	44.4 Å²	44.4	3%	0.034	27%	0.267	C	S	.	.	H	α-helix	trans	-52.5	-40.7	-178.5	-69.7	-177.2	74.1	0	0	113	I103 V104 T105 P113 V114 L116 I125 V156 C159	I103-M107 PolarHBondContact O-N 3.42Å; I103-M107 VanDerWaalsContact O-N 3.17Å; V104-M107 WeakPolarHBondContact O-CB 3.42Å; V104-M107 PolarHBondContact O-N 3.16Å; T105-M107 VanDerWaalsContact C-N 3.32Å; T105-M107 PolarHBondContact O-N 3.49Å; M107-P113 WeakPolarHBondContact O-CA 3.43Å; M107-P113 WeakPolarHBondContact O-CB 3.36Å; M107-V114 HydrophobicContact CE-CG1 4.29Å; M107-V114 PolarHBondContact O-N 3.38Å; M107-L116 HydrophobicContact CE-CD2 4.15Å; M107-L116 HydrophobicContact CE-CG 4.25Å; M107-I125 HydrophobicContact SD-CD1 4.13Å; M107-V156 HydrophobicContact CE-CG2 4.24Å; M107-V156 HydrophobicContact SD-CG2 3.78Å; M107-C159 HydrophobicContact CG-CB 3.68Å
108	S	95.8	Very high	96.5	Very high	95 Å²	95	45.7 Å²	45.7	66%	0.664	28%	0.278	S	S	*	.	H	α-helix	trans	-87.5	-18.4	-179.8	62.8	0	0	0	0	114.4	T105 A106	T105-S108 PolarHBondContact O-OG 3.47Å; A106-S108 PolarHBondContact O-N 3.31Å; A106-S108 VanDerWaalsContact O-N 3.15Å
109	T	94.9	Very high	96.5	Very high	93 Å²	93	47.8 Å²	47.8	57%	0.571	30%	0.297	S	S	*	.	H	α-helix	trans	-95.4	-22.2	-176.9	64.8	0	0	0	0	113.3	A106	A106-T109 WeakPolarHBondContact CA-OG1 3.5Å; A106-T109 PolarHBondContact O-N 3.44Å; A106-T109 PolarHBondContact O-OG1 3.1Å
110	L	95.1	Very high	96.5	Very high	10 Å²	10	55.1 Å²	55.1	5%	0.052	33%	0.331	C	S	.	.	S	Bend	trans	-58.5	149.4	173.3	-76.4	175.6	0	0	0	111.3	A106 P112 P113 V114 R162 E165 Y166	A106-L110 VanDerWaalsContact O-CG 3.27Å; A106-L110 WeakPolarHBondContact O-CG 3.39Å; A106-L110 PolarHBondContact O-N 2.92Å; L110-P112 CarbonylContact C-O 3.41Å; L110-P112 CarbonylContact O-C 3.52Å; L110-P113 WeakPolarHBondContact O-CA 3.42Å; L110-V114 HydrophobicContact CD1-CG2 3.83Å; L110-R162 HydrophobicContact CD1-CB 4.11Å; L110-E165 HydrophobicContact CD2-CB 3.58Å; L110-E165 HydrophobicContact CD2-CG 4.3Å; L110-E165 WeakPolarHBondContact CD2-OE2 3.36Å; L110-Y166 HydrophobicContact CD1-CE1 4.21Å; L110-Y166 HydrophobicContact CD2-CD1 3.95Å; L110-Y166 HydrophobicContact CD2-CE1 4.29Å; L110-Y166 HydrophobicContact CG-CD1 4.45Å
111	T	94	Very high	96.5	Very high	121 Å²	121	55.8 Å²	55.8	74%	0.742	33%	0.334	S	S	*	.	S	Bend	trans	-121.4	112.5	175.7	-59.2	0	0	0	0	109.2	R162	T111-R162 PolarHBondContact O-NH2 3.03Å; T111-R162 VanDerWaalsContact O-NH2 3.08Å
112	P	96.3	Very high	96.5	Very high	93 Å²	93	59.1 Å²	59.1	60%	0.604	35%	0.35	S	S	*	.	S	Bend	cis	-67.2	156.1	-8.2	31.2	-35.7	0	0	0	112.1	L110 R162	L110-P112 CarbonylContact C-O 3.41Å; L110-P112 CarbonylContact O-C 3.52Å; P112-R162 PolarHBondContact O-NH1 3.41Å
113	P	96.8	Very high	96.5	Very high	72 Å²	72	63.2 Å²	63.2	47%	0.468	36%	0.362	S	S	.	.			trans	-67.6	155.1	178	28	-35	0	0	0	111.1	M107 L110	M107-P113 WeakPolarHBondContact O-CA 3.43Å; M107-P113 WeakPolarHBondContact O-CB 3.36Å; L110-P113 WeakPolarHBondContact O-CA 3.42Å
114	V	97.3	Very high	96.5	Very high	20 Å²	20	65.2 Å²	65.2	12%	0.121	37%	0.369	C	S	.	.			trans	-104.5	129.5	178.2	-175.4	0	0	0	0	108.8	M107 L110 G155 A158 C159	M107-V114 HydrophobicContact CE-CG1 4.29Å; M107-V114 PolarHBondContact O-N 3.38Å; L110-V114 HydrophobicContact CD1-CG2 3.83Å; V114-G155 WeakPolarHBondContact CG1-O 3.45Å; V114-A158 HydrophobicContact CG1-CB 4.26Å; V114-C159 HydrophobicContact CB-CB 4.29Å; V114-C159 HydrophobicContact CG1-CB 4.25Å; V114-C159 HydrophobicContact CG2-CB 4.38Å
115	Q	96.4	Very high	96.4	Very high	145 Å²	145	65.8 Å²	65.8	68%	0.678	37%	0.372	S	S	*	.			trans	-95	157.4	177	-61.3	-63.2	-29.6	0	0	110.4	G155	Q115-G155 WeakPolarHBondContact O-CA 3.4Å
116	L	97.4	Very high	96.4	Very high	23 Å²	23	68 Å²	68	12%	0.12	38%	0.378	C	S	.	.			trans	-60.8	142.7	168.2	-77.2	169.4	0	0	0	110.5	M107 N121 Q122 I125 L150 D153 V156	M107-L116 HydrophobicContact CE-CD2 4.15Å; M107-L116 HydrophobicContact CE-CG 4.25Å; L116-N121 HydrophobicContact CD1-CB 3.94Å; L116-N121 HydrophobicContact CD2-CB 4.13Å; L116-Q122 HydrophobicContact CD1-CB 4.38Å; L116-I125 HydrophobicContact CD1-CD1 3.56Å; L116-I125 HydrophobicContact CD1-CG1 4.15Å; L116-I125 HydrophobicContact CD2-CD1 3.82Å; L116-I125 HydrophobicContact CD2-CG1 4.41Å; L116-I125 HydrophobicContact CG-CD1 3.65Å; L116-L150 HydrophobicContact CD2-CD2 4.2Å; L116-D153 HydrophobicContact CD2-CB 4.36Å; L116-V156 HydrophobicContact CD2-CG2 3.92Å
117	A	97.3	Very high	96.3	Very high	61 Å²	61	70 Å²	70	50%	0.504	39%	0.385	S	S	.	.	S	Bend	trans	-71.8	-37.8	168.7	0	0	0	0	0	110.8	D153 D154	A117-D153 WeakPolarHBondContact CB-OD1 3.42Å; A117-D153 PolarHBondContact N-OD1 3.09Å; A117-D154 HydrophobicContact CB-CB 3.81Å
118	C	95.9	Very high	96.2	Very high	42 Å²	42	69.6 Å²	69.6	28%	0.284	38%	0.384	S	S	.	.	S	Bend	trans	-110.9	107.9	174.3	-171.8	0	0	0	0	111.3	E120 N121 D153	C118-E120 PolarHBondContact O-N 3.13Å; C118-E120 VanDerWaalsContact O-N 3.11Å; C118-N121 WeakPolarHBondContact O-CB 3.37Å; C118-N121 PolarHBondContact O-N 3.01Å; C118-D153 PolarHBondContact N-OD2 3.41Å
119	P	95.6	Very high	96	Very high	103 Å²	103	68.4 Å²	68.4	67%	0.669	37%	0.369	S	S	*	.	G	3₁₀ helix	trans	-59.3	-24	179.9	-25.9	35.2	0	0	0	114.4	N121 Q122	P119-N121 PolarHBondContact O-N 2.98Å; P119-Q122 VanDerWaalsContact O-CB 3.25Å; P119-Q122 WeakPolarHBondContact O-CB 3.43Å; P119-Q122 PolarHBondContact O-N 3.47Å; P119-Q122 VanDerWaalsContact O-N 3.09Å
120	E	96.4	Very high	95.8	Very high	155 Å²	155	70 Å²	70	72%	0.724	37%	0.374	S	S	*	.	G	3₁₀ helix	trans	-64.2	-17.6	176.6	-59.8	168.9	-175.9	0	0	112.5	C118 Q122 Y123	C118-E120 PolarHBondContact O-N 3.13Å; C118-E120 VanDerWaalsContact O-N 3.11Å; E120-Q122 VanDerWaalsContact C-N 3.25Å; E120-Q122 PolarHBondContact O-N 3.48Å; E120-Y123 WeakPolarHBondContact O-CD1 3.5Å; E120-Y123 VanDerWaalsContact O-CE1 3.24Å; E120-Y123 WeakPolarHBondContact O-CE1 3.43Å
121	N	97.3	Very high	95.4	Very high	14 Å²	14	70 Å²	70	8%	0.075	38%	0.375	C	S	.	.	G	3₁₀ helix	trans	-79.2	-2.4	175	-71.7	-31	0	0	0	113.8	L116 C118 P119 Y123 R124 I125 T149 L150 D153	L116-N121 HydrophobicContact CD1-CB 3.94Å; L116-N121 HydrophobicContact CD2-CB 4.13Å; C118-N121 WeakPolarHBondContact O-CB 3.37Å; C118-N121 PolarHBondContact O-N 3.01Å; P119-N121 PolarHBondContact O-N 2.98Å; N121-Y123 VanDerWaalsContact C-N 3.34Å; N121-Y123 PolarHBondContact O-N 2.92Å; N121-R124 WeakPolarHBondContact O-CA 3.43Å; N121-R124 VanDerWaalsContact O-CB 3.28Å; N121-R124 WeakPolarHBondContact O-CB 3.26Å; N121-R124 PolarHBondContact O-N 3.39Å; N121-R124 PolarHBondContact OD1-NH1 2.92Å; N121-I125 PolarHBondContact O-N 3.23Å; N121-T149 WeakPolarHBondContact OD1-CG2 3.17Å; N121-L150 HydrophobicContact CB-CD2 4.12Å; N121-D153 PolarHBondContact ND2-OD2 3.18Å
122	Q	97	Very high	94.6	Very high	86 Å²	86	67 Å²	67	40%	0.402	36%	0.356	S	S	.	.	H	α-helix	trans	-56.9	-42.8	-176	-177.4	59.1	28.8	0	0	113.2	L116 P119 E120 R124 I125 E126	L116-Q122 HydrophobicContact CD1-CB 4.38Å; P119-Q122 VanDerWaalsContact O-CB 3.25Å; P119-Q122 WeakPolarHBondContact O-CB 3.43Å; P119-Q122 PolarHBondContact O-N 3.47Å; P119-Q122 VanDerWaalsContact O-N 3.09Å; E120-Q122 VanDerWaalsContact C-N 3.25Å; E120-Q122 PolarHBondContact O-N 3.48Å; Q122-R124 PolarHBondContact O-N 3.45Å; Q122-I125 WeakPolarHBondContact O-CB 3.4Å; Q122-I125 PolarHBondContact O-N 2.89Å; Q122-I125 VanDerWaalsContact O-N 3.13Å; Q122-E126 PolarHBondContact O-N 3.42Å; Q122-E126 VanDerWaalsContact O-N 3.11Å
123	Y	97.3	Very high	93.8	Very high	121 Å²	121	69.7 Å²	69.7	48%	0.475	37%	0.365	S	S	.	.	H	α-helix	trans	-66.4	-23.5	178.9	78	-90.3	0	0	0	112.8	E120 N121 E126 Y127 H146	E120-Y123 WeakPolarHBondContact O-CD1 3.5Å; E120-Y123 VanDerWaalsContact O-CE1 3.24Å; E120-Y123 WeakPolarHBondContact O-CE1 3.43Å; N121-Y123 VanDerWaalsContact C-N 3.34Å; N121-Y123 PolarHBondContact O-N 2.92Å; Y123-E126 PolarHBondContact O-N 2.9Å; Y123-Y127 WeakPolarHBondContact O-CB 3.32Å; Y123-Y127 PolarHBondContact O-N 3.32Å; Y123-H146 AromaticContact CE2-CE1 3.71Å
124	R	97.8	Very high	93.2	Very high	42 Å²	42	70.7 Å²	70.7	16%	0.158	36%	0.364	C	S	.	.	H	α-helix	trans	-73.1	-38.2	174.6	-55.3	-173.5	161	61.4	6.7	111	N121 Q122 E126 Y127 V128 H146 L150	N121-R124 WeakPolarHBondContact O-CA 3.43Å; N121-R124 VanDerWaalsContact O-CB 3.28Å; N121-R124 WeakPolarHBondContact O-CB 3.26Å; N121-R124 PolarHBondContact O-N 3.39Å; N121-R124 PolarHBondContact OD1-NH1 2.92Å; Q122-R124 PolarHBondContact O-N 3.45Å; R124-E126 VanDerWaalsContact C-N 3.32Å; R124-Y127 PolarHBondContact O-N 3.4Å; R124-V128 WeakPolarHBondContact O-CG2 3.42Å; R124-V128 PolarHBondContact O-N 3.43Å; R124-H146 HydrophobicContact CB-CB 4.32Å; R124-H146 WeakPolarHBondContact CG-ND1 3.27Å; R124-L150 HydrophobicContact CB-CD1 3.84Å; R124-L150 HydrophobicContact CB-CD2 3.97Å; R124-L150 HydrophobicContact CB-CG 3.82Å
125	I	95.6	Very high	92.1	Very high	16 Å²	16	78.8 Å²	78.8	8%	0.082	40%	0.397	C	S	.	.	H	α-helix	trans	-57.5	-50.3	170.4	-73.8	-170.3	0	0	0	109.3	V104 M107 L116 N121 Q122 Y127 V128 L129 L150	V104-I125 HydrophobicContact CG1-CB 3.92Å; V104-I125 HydrophobicContact CG1-CD1 4.05Å; V104-I125 HydrophobicContact CG1-CG1 3.67Å; V104-I125 HydrophobicContact CG1-CG2 3.53Å; M107-I125 HydrophobicContact SD-CD1 4.13Å; L116-I125 HydrophobicContact CD1-CD1 3.56Å; L116-I125 HydrophobicContact CD1-CG1 4.15Å; L116-I125 HydrophobicContact CD2-CD1 3.82Å; L116-I125 HydrophobicContact CD2-CG1 4.41Å; L116-I125 HydrophobicContact CG-CD1 3.65Å; N121-I125 PolarHBondContact O-N 3.23Å; Q122-I125 WeakPolarHBondContact O-CB 3.4Å; Q122-I125 PolarHBondContact O-N 2.89Å; Q122-I125 VanDerWaalsContact O-N 3.13Å; I125-Y127 VanDerWaalsContact C-N 3.33Å; I125-Y127 PolarHBondContact O-N 3.46Å; I125-V128 PolarHBondContact O-N 2.86Å; I125-L129 HydrophobicContact CG2-CD1 3.63Å; I125-L129 HydrophobicContact CG2-CG 4.18Å; I125-L129 WeakPolarHBondContact O-CB 3.23Å; I125-L129 VanDerWaalsContact O-CG 3.29Å; I125-L129 WeakPolarHBondContact O-CG 3.28Å; I125-L129 PolarHBondContact O-N 2.91Å; I125-L150 HydrophobicContact CG1-CD2 3.78Å
126	E	95.3	Very high	91.3	Very high	104 Å²	104	79.2 Å²	79.2	49%	0.486	40%	0.404	S	S	.	.	H	α-helix	trans	-60.3	-42.6	179.7	-68.5	171.1	-166.7	0	0	111.9	Q122 Y123 R124 L129 N130	Q122-E126 PolarHBondContact O-N 3.42Å; Q122-E126 VanDerWaalsContact O-N 3.11Å; Y123-E126 PolarHBondContact O-N 2.9Å; R124-E126 VanDerWaalsContact C-N 3.32Å; E126-L129 PolarHBondContact O-N 2.9Å; E126-N130 WeakPolarHBondContact O-CB 3.45Å; E126-N130 PolarHBondContact O-N 3.25Å; E126-N130 PolarHBondContact O-ND2 3.5Å; E126-N130 VanDerWaalsContact O-ND2 3.08Å
127	Y	95.8	Very high	90.9	Very high	46 Å²	46	79 Å²	79	18%	0.18	40%	0.402	C	S	.	.	H	α-helix	trans	-55.8	-53.7	173.3	179.4	-86	0	0	0	111.5	Y123 R124 I125 L129 N130 L131 E142 F143 H146	Y123-Y127 WeakPolarHBondContact O-CB 3.32Å; Y123-Y127 PolarHBondContact O-N 3.32Å; R124-Y127 PolarHBondContact O-N 3.4Å; I125-Y127 VanDerWaalsContact C-N 3.33Å; I125-Y127 PolarHBondContact O-N 3.46Å; Y127-L129 PolarHBondContact O-N 3.45Å; Y127-N130 PolarHBondContact O-N 2.67Å; Y127-L131 HydrophobicContact CD1-CD1 3.99Å; Y127-L131 HydrophobicContact CE1-CD1 3.48Å; Y127-L131 VanDerWaalsContact CE1-CD1 3.48Å; Y127-L131 HydrophobicContact CE1-CG 4.38Å; Y127-L131 WeakPolarHBondContact O-CG 3.43Å; Y127-E142 HydrophobicContact CE2-CG 4.13Å; Y127-F143 HydrophobicContact CE1-CB 4.26Å; Y127-F143 HydrophobicContact CE1-CD2 4.46Å; Y127-H146 HydrophobicContact CD1-CB 4.31Å; Y127-H146 AromaticContact CD1-CD2 3.36Å; Y127-H146 WeakPolarHBondContact CD1-CD2 3.43Å; Y127-H146 AromaticContact CD2-CD2 3.85Å; Y127-H146 AromaticContact CD2-NE2 3.91Å; Y127-H146 AromaticContact CE1-CD2 3.54Å; Y127-H146 AromaticContact CE2-CD2 3.99Å; Y127-H146 AromaticContact CG-CD2 3.53Å; Y127-H146 AromaticContact CG-NE2 3.96Å; Y127-H146 AromaticContact CZ-CD2 3.84Å
128	V	94.7	Very high	90.5	Very high	0 Å²	0	83.3 Å²	83.3	0%	0	42%	0.417	C	S	.	.	H	α-helix	trans	-63.1	-42.5	-178.2	170.7	0	0	0	0	111.4	I100 E101 R124 I125 N130 L131 L150	I100-V128 HydrophobicContact CG2-CG1 4.15Å; E101-V128 HydrophobicContact CB-CG1 4.33Å; E101-V128 HydrophobicContact CG-CG1 3.57Å; R124-V128 WeakPolarHBondContact O-CG2 3.42Å; R124-V128 PolarHBondContact O-N 3.43Å; I125-V128 PolarHBondContact O-N 2.86Å; V128-N130 VanDerWaalsContact C-N 3.29Å; V128-N130 PolarHBondContact O-N 2.91Å; V128-L131 WeakPolarHBondContact O-CB 3.49Å; V128-L131 PolarHBondContact O-N 3.04Å; V128-L150 HydrophobicContact CG2-CD1 3.81Å
129	L	92	Very high	90.4	Very high	69 Å²	69	81.8 Å²	81.8	36%	0.361	41%	0.406	S	S	.	.	H	α-helix	trans	-65.3	-31.4	179.5	-69.2	178.7	0	0	0	112.8	V104 T105 I125 E126 Y127 L131 V132	V104-L129 HydrophobicContact CG1-CD2 4.21Å; V104-L129 HydrophobicContact CG1-CG 4.19Å; T105-L129 WeakPolarHBondContact OG1-CD2 3.2Å; I125-L129 HydrophobicContact CG2-CD1 3.63Å; I125-L129 HydrophobicContact CG2-CG 4.18Å; I125-L129 WeakPolarHBondContact O-CB 3.23Å; I125-L129 VanDerWaalsContact O-CG 3.29Å; I125-L129 WeakPolarHBondContact O-CG 3.28Å; I125-L129 PolarHBondContact O-N 2.91Å; E126-L129 PolarHBondContact O-N 2.9Å; Y127-L129 PolarHBondContact O-N 3.45Å; L129-L131 PolarHBondContact O-N 3.08Å; L129-V132 HydrophobicContact CD2-CG2 4.44Å; L129-V132 WeakPolarHBondContact O-CG2 3.45Å; L129-V132 PolarHBondContact O-N 2.91Å
130	N	91.4	Very high	90.4	Very high	126 Å²	126	79.4 Å²	79.4	67%	0.674	39%	0.39	S	S	*	.	H	α-helix	trans	-68.1	-17.3	174.5	-72.9	-29.7	0	0	0	113.3	E126 Y127 V128	E126-N130 WeakPolarHBondContact O-CB 3.45Å; E126-N130 PolarHBondContact O-N 3.25Å; E126-N130 PolarHBondContact O-ND2 3.5Å; E126-N130 VanDerWaalsContact O-ND2 3.08Å; Y127-N130 PolarHBondContact O-N 2.67Å; V128-N130 VanDerWaalsContact C-N 3.29Å; V128-N130 PolarHBondContact O-N 2.91Å
131	L	85.9	Confident	90.3	Very high	11 Å²	11	76.3 Å²	76.3	6%	0.058	39%	0.385	C	S	.	.	T	Hydrogen-bonded Turn	trans	-91	-11.9	-179.7	-60	179.1	0	0	0	114.1	K97 Y127 V128 L129 N133 Q134 F137 F143	K97-L131 WeakPolarHBondContact CE-O 3.33Å; K97-L131 PolarHBondContact NZ-O 2.88Å; Y127-L131 HydrophobicContact CD1-CD1 3.99Å; Y127-L131 HydrophobicContact CE1-CD1 3.48Å; Y127-L131 VanDerWaalsContact CE1-CD1 3.48Å; Y127-L131 HydrophobicContact CE1-CG 4.38Å; Y127-L131 WeakPolarHBondContact O-CG 3.43Å; V128-L131 WeakPolarHBondContact O-CB 3.49Å; V128-L131 PolarHBondContact O-N 3.04Å; L129-L131 PolarHBondContact O-N 3.08Å; L131-N133 PolarHBondContact O-N 3.22Å; L131-Q134 WeakPolarHBondContact O-CB 3.29Å; L131-Q134 PolarHBondContact O-N 3.4Å; L131-F137 HydrophobicContact CD1-CE1 4.2Å; L131-F137 HydrophobicContact CD1-CE2 3.63Å; L131-F137 HydrophobicContact CD1-CZ 3.4Å; L131-F137 VanDerWaalsContact CD1-CZ 3.4Å; L131-F137 HydrophobicContact CD2-CD2 4.07Å; L131-F137 HydrophobicContact CD2-CE2 3.47Å; L131-F137 VanDerWaalsContact CD2-CE2 3.47Å; L131-F137 HydrophobicContact CD2-CZ 4.17Å; L131-F137 HydrophobicContact CG-CE2 4.09Å; L131-F137 HydrophobicContact CG-CZ 4.35Å; L131-F143 HydrophobicContact CD1-CD2 3.81Å; L131-F143 HydrophobicContact CD1-CE2 4.43Å
132	V	76.9	Confident	90.2	Very high	59 Å²	59	80.5 Å²	80.5	36%	0.358	40%	0.404	S	S	.	.	T	Hydrogen-bonded Turn	trans	-54.2	-37.1	-170.4	173.4	0	0	0	0	112.6	E101 L129	E101-V132 HydrophobicContact CB-CG2 4.2Å; E101-V132 HydrophobicContact CG-CG2 4.02Å; L129-V132 HydrophobicContact CD2-CG2 4.44Å; L129-V132 WeakPolarHBondContact O-CG2 3.45Å; L129-V132 PolarHBondContact O-N 2.91Å
133	N	79.9	Confident	90.2	Very high	148 Å²	148	76.4 Å²	76.4	79%	0.791	39%	0.385	S	S	*	.	T	Hydrogen-bonded Turn	trans	-93	-1.4	-177.4	-64.2	-48.4	0	0	0	114.4	L131 K135	L131-N133 PolarHBondContact O-N 3.22Å; N133-K135 PolarHBondContact O-N 2.65Å
134	Q	85	Confident	90.2	Very high	94 Å²	94	70.9 Å²	70.9	44%	0.439	36%	0.364	S	S	.	.			trans	-82.2	112.2	178.9	-62.6	-172.4	6.5	0	0	110.2	L131	L131-Q134 WeakPolarHBondContact O-CB 3.29Å; L131-Q134 PolarHBondContact O-N 3.4Å
135	K	73.7	Confident	90.2	Very high	189 Å²	189	72.5 Å²	72.5	82%	0.822	38%	0.375	S	S	*	.	S	Bend	trans	-80.4	-44.9	178.9	-67.6	-174.6	178.9	179.6	0	112.2	N133 F137	N133-K135 PolarHBondContact O-N 2.65Å; K135-F137 PolarHBondContact O-N 3.43Å
136	D	80.1	Confident	90.3	Very high	154 Å²	154	72.3 Å²	72.3	82%	0.824	37%	0.374	S	S	*	.	S	Bend	trans	-96.9	81.1	178.5	-58.7	-42.3	0	0	0	108.1
137	F	88.4	Confident	90.5	Very high	18 Å²	18	67.4 Å²	67.4	8%	0.079	35%	0.351	C	S	.	.			trans	-101.2	127.3	180	-172.6	-116.4	0	0	0	110	K97 L131 K135 F139 P140 F143	K97-F137 HydrophobicContact CD-CB 4.43Å; K97-F137 HydrophobicContact CD-CD1 3.97Å; K97-F137 HydrophobicContact CD-CG 4.35Å; L131-F137 HydrophobicContact CD1-CE1 4.2Å; L131-F137 HydrophobicContact CD1-CE2 3.63Å; L131-F137 HydrophobicContact CD1-CZ 3.4Å; L131-F137 VanDerWaalsContact CD1-CZ 3.4Å; L131-F137 HydrophobicContact CD2-CD2 4.07Å; L131-F137 HydrophobicContact CD2-CE2 3.47Å; L131-F137 VanDerWaalsContact CD2-CE2 3.47Å; L131-F137 HydrophobicContact CD2-CZ 4.17Å; L131-F137 HydrophobicContact CG-CE2 4.09Å; L131-F137 HydrophobicContact CG-CZ 4.35Å; K135-F137 PolarHBondContact O-N 3.43Å; F137-F139 VanDerWaalsContact C-N 3.28Å; F137-F139 HydrophobicContact CB-CE2 4.12Å; F137-F139 HydrophobicContact CD1-CB 4.33Å; F137-F139 AromaticContact CD1-CD1 3.66Å; F137-F139 HydrophobicContact CD1-CD1 3.66Å; F137-F139 AromaticContact CD1-CD2 3.81Å; F137-F139 HydrophobicContact CD1-CD2 3.81Å; F137-F139 AromaticContact CD1-CE1 3.76Å; F137-F139 HydrophobicContact CD1-CE1 3.76Å; F137-F139 AromaticContact CD1-CE2 3.83Å; F137-F139 HydrophobicContact CD1-CE2 3.83Å; F137-F139 AromaticContact CD1-CG 3.68Å; F137-F139 HydrophobicContact CD1-CG 3.68Å; F137-F139 AromaticContact CD1-CZ 3.83Å; F137-F139 HydrophobicContact CD1-CZ 3.83Å; F137-F139 HydrophobicContact CE1-CB 4.34Å; F137-F139 AromaticContact CE1-CD1 3.84Å; F137-F139 HydrophobicContact CE1-CD1 3.84Å; F137-F139 HydrophobicContact CE1-CE1 4.23Å; F137-F139 HydrophobicContact CE1-CG 4.04Å; F137-F139 HydrophobicContact CG-CE2 4.45Å; F137-F139 WeakPolarHBondContact O-CD2 3.47Å; F137-F139 WeakPolarHBondContact O-CE2 3.46Å; F137-F139 PolarHBondContact O-N 3.49Å; F137-P140 HydrophobicContact CZ-CG 4.17Å; F137-F143 HydrophobicContact CE1-CB 3.89Å; F137-F143 HydrophobicContact CE1-CD1 4Å; F137-F143 AromaticContact CE1-CD2 3.74Å; F137-F143 HydrophobicContact CE1-CD2 3.74Å; F137-F143 HydrophobicContact CE1-CE2 4.3Å; F137-F143 AromaticContact CE1-CG 3.58Å; F137-F143 HydrophobicContact CE1-CG 3.58Å; F137-F143 HydrophobicContact CZ-CB 3.77Å; F137-F143 AromaticContact CZ-CD2 3.94Å; F137-F143 HydrophobicContact CZ-CD2 3.94Å; F137-F143 AromaticContact CZ-CG 3.88Å; F137-F143 HydrophobicContact CZ-CG 3.88Å
138	D	89.1	Confident	90.6	Very high	152 Å²	152	67.9 Å²	67.9	81%	0.813	35%	0.354	S	S	*	.			trans	-81.6	-5.2	-174.8	-68.2	-36.1	0	0	0	113.8
139	F	93.6	Very high	90.7	Very high	11 Å²	11	70 Å²	70	5%	0.048	37%	0.367	C	S	.	.			trans	52.8	62.7	-178.6	-63.6	-91.9	0	0	0	113.7	K93 N94 K97 F137 F143 Y144	K93-F139 VanDerWaalsContact C-CE1 3.47Å; K93-F139 HydrophobicContact CB-CD1 3.83Å; K93-F139 HydrophobicContact CB-CD2 4.17Å; K93-F139 HydrophobicContact CB-CE1 3.65Å; K93-F139 HydrophobicContact CB-CE2 4.07Å; K93-F139 HydrophobicContact CB-CG 4.09Å; K93-F139 HydrophobicContact CB-CZ 3.79Å; K93-F139 HydrophobicContact CD-CB 4.28Å; K93-F139 HydrophobicContact CD-CD1 4.48Å; K93-F139 HydrophobicContact CD-CD2 4.19Å; K93-F139 HydrophobicContact CD-CG 4.05Å; K93-F139 HydrophobicContact CG-CD1 4.46Å; K93-F139 WeakPolarHBondContact O-CE1 3.16Å; N94-F139 VanDerWaalsContact OD1-CZ 3.23Å; N94-F139 WeakPolarHBondContact OD1-CZ 3.36Å; K97-F139 HydrophobicContact CB-CE1 3.9Å; K97-F139 HydrophobicContact CB-CZ 4.3Å; K97-F139 HydrophobicContact CD-CE1 4.25Å; K97-F139 HydrophobicContact CD-CZ 4.12Å; F137-F139 VanDerWaalsContact C-N 3.28Å; F137-F139 HydrophobicContact CB-CE2 4.12Å; F137-F139 HydrophobicContact CD1-CB 4.33Å; F137-F139 AromaticContact CD1-CD1 3.66Å; F137-F139 HydrophobicContact CD1-CD1 3.66Å; F137-F139 AromaticContact CD1-CD2 3.81Å; F137-F139 HydrophobicContact CD1-CD2 3.81Å; F137-F139 AromaticContact CD1-CE1 3.76Å; F137-F139 HydrophobicContact CD1-CE1 3.76Å; F137-F139 AromaticContact CD1-CE2 3.83Å; F137-F139 HydrophobicContact CD1-CE2 3.83Å; F137-F139 AromaticContact CD1-CG 3.68Å; F137-F139 HydrophobicContact CD1-CG 3.68Å; F137-F139 AromaticContact CD1-CZ 3.83Å; F137-F139 HydrophobicContact CD1-CZ 3.83Å; F137-F139 HydrophobicContact CE1-CB 4.34Å; F137-F139 AromaticContact CE1-CD1 3.84Å; F137-F139 HydrophobicContact CE1-CD1 3.84Å; F137-F139 HydrophobicContact CE1-CE1 4.23Å; F137-F139 HydrophobicContact CE1-CG 4.04Å; F137-F139 HydrophobicContact CG-CE2 4.45Å; F137-F139 WeakPolarHBondContact O-CD2 3.47Å; F137-F139 WeakPolarHBondContact O-CE2 3.46Å; F137-F139 PolarHBondContact O-N 3.49Å; F139-F143 AromaticContact CD1-CD1 3.92Å; F139-F143 HydrophobicContact CD1-CD1 3.92Å; F139-F143 AromaticContact CD1-CE1 3.78Å; F139-F143 HydrophobicContact CD1-CE1 3.78Å; F139-F143 HydrophobicContact CE1-CE1 4.08Å; F139-F143 HydrophobicContact CE1-CZ 4.48Å; F139-Y144 HydrophobicContact CB-CE2 4Å; F139-Y144 WeakPolarHBondContact CB-OH 3.2Å; F139-Y144 WeakPolarHBondContact O-CE2 3.33Å
140	P	94.6	Very high	91	Very high	53 Å²	53	66.7 Å²	66.7	34%	0.344	35%	0.35	S	S	.	.			trans	-63.4	157.1	175.4	29.4	-35.7	0	0	0	111.7	F137 E142 F143 Y144	F137-P140 HydrophobicContact CZ-CG 4.17Å; P140-E142 PolarHBondContact O-N 3.41Å; P140-E142 VanDerWaalsContact O-N 3.14Å; P140-F143 HydrophobicContact CG-CB 4.26Å; P140-F143 WeakPolarHBondContact O-CB 3.35Å; P140-F143 PolarHBondContact O-N 2.79Å; P140-Y144 WeakPolarHBondContact O-CD2 3.2Å
141	S	94.8	Very high	91.4	Very high	89 Å²	89	61.2 Å²	61.2	62%	0.622	32%	0.32	S	S	*	.	H	α-helix	trans	-52.9	-37.7	177.2	-58.1	0	0	0	0	112.9	F143 Y144 D145	S141-F143 VanDerWaalsContact C-N 3.25Å; S141-F143 PolarHBondContact O-N 3.03Å; S141-Y144 PolarHBondContact O-N 3.21Å; S141-Y144 VanDerWaalsContact O-N 3.1Å; S141-D145 PolarHBondContact O-N 3.45Å; S141-D145 VanDerWaalsContact O-N 3.11Å
142	E	95.7	Very high	91.9	Very high	102 Å²	102	66.9 Å²	66.9	48%	0.477	35%	0.346	S	S	.	.	H	α-helix	trans	-54.1	-39.7	176.6	179.6	179.7	-162.7	0	0	112.7	Y127 P140 Y144 D145 H146	Y127-E142 HydrophobicContact CE2-CG 4.13Å; P140-E142 PolarHBondContact O-N 3.41Å; P140-E142 VanDerWaalsContact O-N 3.14Å; E142-Y144 PolarHBondContact O-N 2.93Å; E142-D145 PolarHBondContact O-N 2.63Å; E142-H146 VanDerWaalsContact CG-CD2 3.47Å; E142-H146 WeakPolarHBondContact CG-CD2 3.49Å; E142-H146 WeakPolarHBondContact CG-NE2 3.36Å; E142-H146 PolarHBondContact O-CD2 3.43Å; E142-H146 PolarHBondContact O-N 2.97Å; E142-H146 IonicContact OE1-CD2 3.91Å; E142-H146 IonicContact OE1-CE1 2.82Å; E142-H146 IonicContact OE1-NE2 2.7Å; E142-H146 PolarHBondContact OE1-NE2 3.36Å
143	F	96.9	Very high	93	Very high	0 Å²	0	64.4 Å²	64.4	0%	0	33%	0.331	C	S	.	.	H	α-helix	trans	-62.1	-44.9	178	163.2	-97.5	0	0	0	112	I96 K97 I100 Y127 L131 F137 F139 P140 S141 D145 H146 A147	I96-F143 HydrophobicContact CG2-CE1 4.11Å; I96-F143 HydrophobicContact CG2-CZ 4.2Å; K97-F143 HydrophobicContact CB-CE2 4.33Å; K97-F143 HydrophobicContact CB-CZ 3.82Å; K97-F143 HydrophobicContact CG-CE2 4.3Å; K97-F143 HydrophobicContact CG-CZ 4.29Å; I100-F143 HydrophobicContact CG2-CE2 4.26Å; I100-F143 HydrophobicContact CG2-CZ 4.3Å; Y127-F143 HydrophobicContact CE1-CB 4.26Å; Y127-F143 HydrophobicContact CE1-CD2 4.46Å; L131-F143 HydrophobicContact CD1-CD2 3.81Å; L131-F143 HydrophobicContact CD1-CE2 4.43Å; F137-F143 HydrophobicContact CE1-CB 3.89Å; F137-F143 HydrophobicContact CE1-CD1 4Å; F137-F143 AromaticContact CE1-CD2 3.74Å; F137-F143 HydrophobicContact CE1-CD2 3.74Å; F137-F143 HydrophobicContact CE1-CE2 4.3Å; F137-F143 AromaticContact CE1-CG 3.58Å; F137-F143 HydrophobicContact CE1-CG 3.58Å; F137-F143 HydrophobicContact CZ-CB 3.77Å; F137-F143 AromaticContact CZ-CD2 3.94Å; F137-F143 HydrophobicContact CZ-CD2 3.94Å; F137-F143 AromaticContact CZ-CG 3.88Å; F137-F143 HydrophobicContact CZ-CG 3.88Å; F139-F143 AromaticContact CD1-CD1 3.92Å; F139-F143 HydrophobicContact CD1-CD1 3.92Å; F139-F143 AromaticContact CD1-CE1 3.78Å; F139-F143 HydrophobicContact CD1-CE1 3.78Å; F139-F143 HydrophobicContact CE1-CE1 4.08Å; F139-F143 HydrophobicContact CE1-CZ 4.48Å; P140-F143 HydrophobicContact CG-CB 4.26Å; P140-F143 WeakPolarHBondContact O-CB 3.35Å; P140-F143 PolarHBondContact O-N 2.79Å; S141-F143 VanDerWaalsContact C-N 3.25Å; S141-F143 PolarHBondContact O-N 3.03Å; F143-D145 VanDerWaalsContact C-N 3.31Å; F143-D145 PolarHBondContact O-N 3.43Å; F143-H146 PolarHBondContact O-N 2.85Å; F143-A147 HydrophobicContact CZ-CB 4.44Å; F143-A147 VanDerWaalsContact O-CB 3.29Å; F143-A147 WeakPolarHBondContact O-CB 3.26Å; F143-A147 PolarHBondContact O-N 3.17Å
144	Y	97.6	Very high	93.8	Very high	5 Å²	5	63.3 Å²	63.3	2%	0.02	33%	0.325	C	S	.	.	H	α-helix	trans	-66.1	-36.8	179.5	-64	-74.9	0	0	0	111.6	K93 F139 P140 S141 E142 K148 I179 K183	K93-Y144 VanDerWaalsContact CD-OH 3.25Å; K93-Y144 WeakPolarHBondContact CD-OH 3.23Å; K93-Y144 WeakPolarHBondContact CE-OH 3.29Å; K93-Y144 WeakPolarHBondContact CG-OH 3.43Å; F139-Y144 HydrophobicContact CB-CE2 4Å; F139-Y144 WeakPolarHBondContact CB-OH 3.2Å; F139-Y144 WeakPolarHBondContact O-CE2 3.33Å; P140-Y144 WeakPolarHBondContact O-CD2 3.2Å; S141-Y144 PolarHBondContact O-N 3.21Å; S141-Y144 VanDerWaalsContact O-N 3.1Å; E142-Y144 PolarHBondContact O-N 2.93Å; Y144-K148 WeakPolarHBondContact O-CB 3.32Å; Y144-K148 PolarHBondContact O-N 3.36Å; Y144-I179 HydrophobicContact CD1-CG2 3.99Å; Y144-I179 HydrophobicContact CG-CG2 4.37Å; Y144-K183 HydrophobicContact CD1-CB 3.86Å; Y144-K183 HydrophobicContact CD2-CB 3.67Å; Y144-K183 HydrophobicContact CE1-CB 4.19Å; Y144-K183 HydrophobicContact CE2-CB 4.02Å; Y144-K183 HydrophobicContact CG-CB 3.56Å
145	D	97.6	Very high	94.4	Very high	76 Å²	76	59.1 Å²	59.1	41%	0.406	31%	0.307	S	S	.	.	H	α-helix	trans	-67.8	-42.1	177.9	-66.2	-26	0	0	0	111.4	S141 E142 F143 T149 K183	S141-D145 PolarHBondContact O-N 3.45Å; S141-D145 VanDerWaalsContact O-N 3.11Å; E142-D145 PolarHBondContact O-N 2.63Å; F143-D145 VanDerWaalsContact C-N 3.31Å; F143-D145 PolarHBondContact O-N 3.43Å; D145-T149 WeakPolarHBondContact O-CB 3.4Å; D145-T149 PolarHBondContact O-N 2.8Å; D145-T149 PolarHBondContact O-OG1 3.28Å; D145-K183 IonicContact OD1-NZ 2.63Å
146	H	97.9	Very high	95.6	Very high	13 Å²	13	50.1 Å²	50.1	6%	0.06	27%	0.268	C	S	.	.	H	α-helix	trans	-63.6	-49.7	173.3	-69.5	-39.1	0	0	0	111.9	Y123 R124 Y127 E142 F143 K148 T149 L150	Y123-H146 AromaticContact CE2-CE1 3.71Å; R124-H146 HydrophobicContact CB-CB 4.32Å; R124-H146 WeakPolarHBondContact CG-ND1 3.27Å; Y127-H146 HydrophobicContact CD1-CB 4.31Å; Y127-H146 AromaticContact CD1-CD2 3.36Å; Y127-H146 WeakPolarHBondContact CD1-CD2 3.43Å; Y127-H146 AromaticContact CD2-CD2 3.85Å; Y127-H146 AromaticContact CD2-NE2 3.91Å; Y127-H146 AromaticContact CE1-CD2 3.54Å; Y127-H146 AromaticContact CE2-CD2 3.99Å; Y127-H146 AromaticContact CG-CD2 3.53Å; Y127-H146 AromaticContact CG-NE2 3.96Å; Y127-H146 AromaticContact CZ-CD2 3.84Å; E142-H146 VanDerWaalsContact CG-CD2 3.47Å; E142-H146 WeakPolarHBondContact CG-CD2 3.49Å; E142-H146 WeakPolarHBondContact CG-NE2 3.36Å; E142-H146 PolarHBondContact O-CD2 3.43Å; E142-H146 PolarHBondContact O-N 2.97Å; E142-H146 IonicContact OE1-CD2 3.91Å; E142-H146 IonicContact OE1-CE1 2.82Å; E142-H146 IonicContact OE1-NE2 2.7Å; E142-H146 PolarHBondContact OE1-NE2 3.36Å; F143-H146 PolarHBondContact O-N 2.85Å; H146-K148 VanDerWaalsContact C-N 3.34Å; H146-K148 PolarHBondContact O-N 2.77Å; H146-T149 PolarHBondContact O-N 3.1Å; H146-L150 WeakPolarHBondContact O-CB 3.32Å; H146-L150 WeakPolarHBondContact O-CG 3.36Å; H146-L150 PolarHBondContact O-N 3.35Å
147	A	98	Very high	96.5	Very high	0 Å²	0	46 Å²	46	0%	0	24%	0.241	C	C	.	.	H	α-helix	trans	-60.9	-42.1	-179.8	0	0	0	0	0	112.1	I100 F143 W151 I179	I100-A147 HydrophobicContact CB-CB 4.46Å; I100-A147 HydrophobicContact CG1-CB 4.19Å; I100-A147 HydrophobicContact CG2-CB 4.2Å; F143-A147 HydrophobicContact CZ-CB 4.44Å; F143-A147 VanDerWaalsContact O-CB 3.29Å; F143-A147 WeakPolarHBondContact O-CB 3.26Å; F143-A147 PolarHBondContact O-N 3.17Å; A147-W151 VanDerWaalsContact O-CB 3.31Å; A147-W151 WeakPolarHBondContact O-CB 3.31Å; A147-W151 PolarHBondContact O-N 2.88Å; A147-I179 HydrophobicContact CB-CD1 4.09Å
148	K	98.2	Very high	96.9	Very high	56 Å²	56	47.2 Å²	47.2	24%	0.243	26%	0.255	C	S	.	.	H	α-helix	trans	-64.8	-46.7	176.8	-178.3	-177.5	177.2	-178.8	0	111.8	Y144 H146 L150 W151 Q152 I179 D180	Y144-K148 WeakPolarHBondContact O-CB 3.32Å; Y144-K148 PolarHBondContact O-N 3.36Å; H146-K148 VanDerWaalsContact C-N 3.34Å; H146-K148 PolarHBondContact O-N 2.77Å; K148-L150 VanDerWaalsContact C-N 3.33Å; K148-L150 PolarHBondContact O-N 3.3Å; K148-W151 PolarHBondContact O-N 2.88Å; K148-Q152 WeakPolarHBondContact O-CG 3.16Å; K148-Q152 PolarHBondContact O-N 2.91Å; K148-Q152 VanDerWaalsContact O-N 3.11Å; K148-I179 HydrophobicContact CB-CD1 4.15Å; K148-I179 HydrophobicContact CB-CG2 4.06Å; K148-D180 WeakPolarHBondContact CE-OD2 3.27Å; K148-D180 IonicContact NZ-OD1 3.66Å; K148-D180 PolarHBondContact NZ-OD1 2.99Å; K148-D180 IonicContact NZ-OD2 3.45Å; K148-D180 PolarHBondContact NZ-OD2 3.03Å
149	T	98.3	Very high	97.3	Very high	44 Å²	44	40 Å²	40	27%	0.27	22%	0.216	S	C	.	.	H	α-helix	trans	-62.9	-43.4	-179.5	-53.6	0	0	0	0	110.7	N121 D145 H146 Q152 D153	N121-T149 WeakPolarHBondContact OD1-CG2 3.17Å; D145-T149 WeakPolarHBondContact O-CB 3.4Å; D145-T149 PolarHBondContact O-N 2.8Å; D145-T149 PolarHBondContact O-OG1 3.28Å; H146-T149 PolarHBondContact O-N 3.1Å; T149-Q152 PolarHBondContact O-N 3.27Å; T149-D153 PolarHBondContact O-N 3.22Å
150	L	98.3	Very high	97.5	Very high	0 Å²	0	40.5 Å²	40.5	0%	0	22%	0.218	C	C	.	.	H	α-helix	trans	-63	-43	174.2	-74.2	169.8	0	0	0	111.6	I100 V104 L116 N121 R124 I125 V128 H146 K148 Q152 D153 V156	I100-L150 HydrophobicContact CD1-CB 4.09Å; V104-L150 HydrophobicContact CG2-CD1 4.21Å; L116-L150 HydrophobicContact CD2-CD2 4.2Å; N121-L150 HydrophobicContact CB-CD2 4.12Å; R124-L150 HydrophobicContact CB-CD1 3.84Å; R124-L150 HydrophobicContact CB-CD2 3.97Å; R124-L150 HydrophobicContact CB-CG 3.82Å; I125-L150 HydrophobicContact CG1-CD2 3.78Å; V128-L150 HydrophobicContact CG2-CD1 3.81Å; H146-L150 WeakPolarHBondContact O-CB 3.32Å; H146-L150 WeakPolarHBondContact O-CG 3.36Å; H146-L150 PolarHBondContact O-N 3.35Å; K148-L150 VanDerWaalsContact C-N 3.33Å; K148-L150 PolarHBondContact O-N 3.3Å; L150-Q152 PolarHBondContact O-N 3.49Å; L150-D153 VanDerWaalsContact O-CB 3.25Å; L150-D153 WeakPolarHBondContact O-CB 3.13Å; L150-D153 PolarHBondContact O-N 2.82Å; L150-V156 HydrophobicContact CB-CG2 4.4Å; L150-V156 HydrophobicContact CD2-CG2 4.35Å; L150-V156 WeakPolarHBondContact O-CB 3.19Å; L150-V156 WeakPolarHBondContact O-CG1 3.43Å; L150-V156 VanDerWaalsContact O-CG2 3.27Å; L150-V156 WeakPolarHBondContact O-CG2 3.26Å
151	W	98.4	Very high	97.6	Very high	11 Å²	11	42 Å²	42	4%	0.042	22%	0.221	C	C	.	.	H	α-helix	trans	-62.3	-26.4	178.9	-176.9	-127.8	0	0	0	113.6	I103 A147 K148 V156 R157 F160 Q173 L176 D177	I103-W151 HydrophobicContact CD1-CE3 4.48Å; I103-W151 HydrophobicContact CD1-CZ3 3.97Å; A147-W151 VanDerWaalsContact O-CB 3.31Å; A147-W151 WeakPolarHBondContact O-CB 3.31Å; A147-W151 PolarHBondContact O-N 2.88Å; K148-W151 PolarHBondContact O-N 2.88Å; W151-V156 HydrophobicContact CE3-CG1 4.33Å; W151-R157 WeakPolarHBondContact O-CD 3.32Å; W151-R157 WeakPolarHBondContact O-CG 3.32Å; W151-F160 HydrophobicContact CH2-CB 4.12Å; W151-F160 AromaticContact CH2-CD1 3.79Å; W151-F160 HydrophobicContact CH2-CD1 3.79Å; W151-F160 AromaticContact CH2-CD2 3.76Å; W151-F160 HydrophobicContact CH2-CD2 3.76Å; W151-F160 HydrophobicContact CH2-CE1 4.15Å; W151-F160 HydrophobicContact CH2-CE2 4.13Å; W151-F160 AromaticContact CH2-CG 3.59Å; W151-F160 HydrophobicContact CH2-CG 3.59Å; W151-F160 HydrophobicContact CH2-CZ 4.32Å; W151-F160 HydrophobicContact CZ3-CB 3.78Å; W151-F160 HydrophobicContact CZ3-CD1 4.33Å; W151-F160 HydrophobicContact CZ3-CD2 4.02Å; W151-F160 AromaticContact CZ3-CG 3.77Å; W151-F160 HydrophobicContact CZ3-CG 3.77Å; W151-Q173 HydrophobicContact CH2-CB 4.44Å; W151-Q173 HydrophobicContact CZ2-CB 4.13Å; W151-Q173 HydrophobicContact CZ2-CG 4.09Å; W151-L176 HydrophobicContact CD2-CB 3.74Å; W151-L176 HydrophobicContact CD2-CD1 3.81Å; W151-L176 HydrophobicContact CD2-CG 4.34Å; W151-L176 HydrophobicContact CE3-CB 4.47Å; W151-L176 HydrophobicContact CE3-CD1 3.66Å; W151-L176 HydrophobicContact CG-CB 3.81Å; W151-L176 HydrophobicContact CG-CD1 4.45Å; W151-L176 HydrophobicContact CH2-CD1 4.07Å; W151-L176 HydrophobicContact CZ2-CB 4.04Å; W151-L176 HydrophobicContact CZ2-CD1 4.16Å; W151-L176 HydrophobicContact CZ3-CD1 3.82Å; W151-D177 PolarHBondContact NE1-OD1 3.33Å
152	Q	97.9	Very high	97.7	Very high	130 Å²	130	40.3 Å²	40.3	61%	0.607	20%	0.201	S	C	*	.	T	Hydrogen-bonded Turn	trans	-83.7	-8.4	175.2	-68.1	174.7	-17.8	0	0	113.5	K148 T149 L150	K148-Q152 WeakPolarHBondContact O-CG 3.16Å; K148-Q152 PolarHBondContact O-N 2.91Å; K148-Q152 VanDerWaalsContact O-N 3.11Å; T149-Q152 PolarHBondContact O-N 3.27Å; L150-Q152 PolarHBondContact O-N 3.49Å
153	D	98.5	Very high	97.7	Very high	7 Å²	7	36.8 Å²	36.8	4%	0.037	19%	0.187	C	C	.	.			trans	-75.5	126.5	176.9	-171.9	-73.9	0	0	0	110.6	L116 A117 C118 N121 T149 L150 G155 V156 R157	L116-D153 HydrophobicContact CD2-CB 4.36Å; A117-D153 WeakPolarHBondContact CB-OD1 3.42Å; A117-D153 PolarHBondContact N-OD1 3.09Å; C118-D153 PolarHBondContact N-OD2 3.41Å; N121-D153 PolarHBondContact ND2-OD2 3.18Å; T149-D153 PolarHBondContact O-N 3.22Å; L150-D153 VanDerWaalsContact O-CB 3.25Å; L150-D153 WeakPolarHBondContact O-CB 3.13Å; L150-D153 PolarHBondContact O-N 2.82Å; D153-G155 PolarHBondContact O-N 2.59Å; D153-G155 WeakPolarHBondContact OD1-CA 3.25Å; D153-G155 PolarHBondContact OD1-N 3.46Å; D153-V156 HydrophobicContact CB-CB 4.23Å; D153-V156 HydrophobicContact CB-CG2 3.93Å; D153-V156 WeakPolarHBondContact O-CB 3.22Å; D153-V156 PolarHBondContact O-N 2.89Å; D153-V156 PolarHBondContact OD1-N 2.88Å; D153-R157 PolarHBondContact O-N 3.41Å
154	D	98.1	Very high	97.7	Very high	125 Å²	125	38.2 Å²	38.2	67%	0.668	20%	0.195	S	C	*	.	H	α-helix	trans	-61.2	-28.3	-177.7	-72.4	-31.6	0	0	0	112.9	A117 A158	A117-D154 HydrophobicContact CB-CB 3.81Å; D154-A158 VanDerWaalsContact O-CB 3.26Å; D154-A158 WeakPolarHBondContact O-CB 3.41Å; D154-A158 PolarHBondContact O-N 2.76Å
155	G	97.9	Very high	97.6	Very high	7 Å²	7	42.5 Å²	42.5	7%	0.072	22%	0.215	C	C	.	.	H	α-helix	trans	-68.5	-42.3	173.9	0	0	0	0	0	112	V114 Q115 D153 A158 C159	V114-G155 WeakPolarHBondContact CG1-O 3.45Å; Q115-G155 WeakPolarHBondContact O-CA 3.4Å; D153-G155 PolarHBondContact O-N 2.59Å; D153-G155 WeakPolarHBondContact OD1-CA 3.25Å; D153-G155 PolarHBondContact OD1-N 3.46Å; G155-A158 PolarHBondContact O-N 3.08Å; G155-C159 PolarHBondContact O-N 3.13Å
156	V	98.3	Very high	97.5	Very high	0 Å²	0	40.2 Å²	40.2	0%	0	20%	0.201	C	C	.	.	H	α-helix	trans	-65.9	-42.8	174.5	177.3	0	0	0	0	110.5	I100 I103 M107 L116 L150 W151 D153 A158 C159 F160	I100-V156 HydrophobicContact CD1-CG1 4.42Å; I103-V156 HydrophobicContact CG2-CG1 3.76Å; M107-V156 HydrophobicContact CE-CG2 4.24Å; M107-V156 HydrophobicContact SD-CG2 3.78Å; L116-V156 HydrophobicContact CD2-CG2 3.92Å; L150-V156 HydrophobicContact CB-CG2 4.4Å; L150-V156 HydrophobicContact CD2-CG2 4.35Å; L150-V156 WeakPolarHBondContact O-CB 3.19Å; L150-V156 WeakPolarHBondContact O-CG1 3.43Å; L150-V156 VanDerWaalsContact O-CG2 3.27Å; L150-V156 WeakPolarHBondContact O-CG2 3.26Å; W151-V156 HydrophobicContact CE3-CG1 4.33Å; D153-V156 HydrophobicContact CB-CB 4.23Å; D153-V156 HydrophobicContact CB-CG2 3.93Å; D153-V156 WeakPolarHBondContact O-CB 3.22Å; D153-V156 PolarHBondContact O-N 2.89Å; D153-V156 PolarHBondContact OD1-N 2.88Å; V156-A158 VanDerWaalsContact C-N 3.35Å; V156-A158 PolarHBondContact O-N 2.98Å; V156-C159 WeakPolarHBondContact O-CB 3.29Å; V156-C159 PolarHBondContact O-N 2.98Å; V156-F160 PolarHBondContact O-N 2.85Å
157	R	98.1	Very high	97.4	Very high	66 Å²	66	41 Å²	41	25%	0.249	21%	0.205	C	C	.	.	H	α-helix	trans	-60.7	-42.5	173.6	-67.5	-64.2	-59.5	-151.9	2.7	111.5	W151 D153 C159 F160 E161 D177	W151-R157 WeakPolarHBondContact O-CD 3.32Å; W151-R157 WeakPolarHBondContact O-CG 3.32Å; D153-R157 PolarHBondContact O-N 3.41Å; R157-C159 VanDerWaalsContact C-N 3.31Å; R157-C159 PolarHBondContact O-N 3.3Å; R157-F160 WeakPolarHBondContact O-CB 3.13Å; R157-F160 PolarHBondContact O-N 2.7Å; R157-E161 WeakPolarHBondContact O-CG 3.25Å; R157-E161 PolarHBondContact O-N 2.99Å; R157-D177 IonicContact NH1-OD1 3.22Å
158	A	97.4	Very high	97.4	Very high	45 Å²	45	41.2 Å²	41.2	37%	0.372	21%	0.206	S	C	.	.	H	α-helix	trans	-62.8	-36.4	175.7	0	0	0	0	0	112.6	V114 D154 G155 V156 E161	V114-A158 HydrophobicContact CG1-CB 4.26Å; D154-A158 VanDerWaalsContact O-CB 3.26Å; D154-A158 WeakPolarHBondContact O-CB 3.41Å; D154-A158 PolarHBondContact O-N 2.76Å; G155-A158 PolarHBondContact O-N 3.08Å; V156-A158 VanDerWaalsContact C-N 3.35Å; V156-A158 PolarHBondContact O-N 2.98Å; A158-E161 PolarHBondContact O-N 3.46Å
159	C	98.1	Very high	97.2	Very high	0 Å²	0	38.7 Å²	38.7	0%	0	20%	0.195	C	C	.	.	H	α-helix	trans	-67.2	-39.4	173	-175.5	0	0	0	0	112.2	I103 M107 V114 G155 V156 R157 E161 R162 Y166	I103-C159 HydrophobicContact CG2-CB 4.11Å; I103-C159 PolarHBondContact O-SG 3.43Å; I103-C159 VanDerWaalsContact O-SG 3.34Å; M107-C159 HydrophobicContact CG-CB 3.68Å; V114-C159 HydrophobicContact CB-CB 4.29Å; V114-C159 HydrophobicContact CG1-CB 4.25Å; V114-C159 HydrophobicContact CG2-CB 4.38Å; G155-C159 PolarHBondContact O-N 3.13Å; V156-C159 WeakPolarHBondContact O-CB 3.29Å; V156-C159 PolarHBondContact O-N 2.98Å; R157-C159 VanDerWaalsContact C-N 3.31Å; R157-C159 PolarHBondContact O-N 3.3Å; C159-E161 VanDerWaalsContact C-N 3.35Å; C159-E161 PolarHBondContact O-N 3.41Å; C159-R162 CarbonylContact O-C 3.57Å; C159-R162 PolarHBondContact O-N 2.61Å; C159-R162 VanDerWaalsContact O-N 3.13Å; C159-Y166 PolarHBondContact O-OH 2.85Å
160	F	97.8	Very high	96.9	Very high	22 Å²	22	39.9 Å²	39.9	10%	0.096	20%	0.2	C	C	.	.	H	α-helix	trans	-61.5	-39.5	174.6	168.9	-97.6	0	0	0	112.9	I103 W151 V156 R157 R162 S163 L168 A172 Q173	I103-F160 HydrophobicContact CD1-CB 4.36Å; I103-F160 HydrophobicContact CD1-CD2 3.99Å; W151-F160 HydrophobicContact CH2-CB 4.12Å; W151-F160 AromaticContact CH2-CD1 3.79Å; W151-F160 HydrophobicContact CH2-CD1 3.79Å; W151-F160 AromaticContact CH2-CD2 3.76Å; W151-F160 HydrophobicContact CH2-CD2 3.76Å; W151-F160 HydrophobicContact CH2-CE1 4.15Å; W151-F160 HydrophobicContact CH2-CE2 4.13Å; W151-F160 AromaticContact CH2-CG 3.59Å; W151-F160 HydrophobicContact CH2-CG 3.59Å; W151-F160 HydrophobicContact CH2-CZ 4.32Å; W151-F160 HydrophobicContact CZ3-CB 3.78Å; W151-F160 HydrophobicContact CZ3-CD1 4.33Å; W151-F160 HydrophobicContact CZ3-CD2 4.02Å; W151-F160 AromaticContact CZ3-CG 3.77Å; W151-F160 HydrophobicContact CZ3-CG 3.77Å; V156-F160 PolarHBondContact O-N 2.85Å; R157-F160 WeakPolarHBondContact O-CB 3.13Å; R157-F160 PolarHBondContact O-N 2.7Å; F160-R162 PolarHBondContact O-N 3.1Å; F160-R162 VanDerWaalsContact O-N 3.15Å; F160-S163 WeakPolarHBondContact O-CB 3.22Å; F160-S163 PolarHBondContact O-N 2.99Å; F160-S163 PolarHBondContact O-OG 3.31Å; F160-L168 HydrophobicContact CD2-CD2 3.48Å; F160-L168 VanDerWaalsContact CD2-CD2 3.48Å; F160-L168 HydrophobicContact CE2-CD2 3.63Å; F160-A172 HydrophobicContact CE2-CB 4.27Å; F160-Q173 HydrophobicContact CE1-CB 4.36Å; F160-Q173 HydrophobicContact CE2-CB 4.19Å; F160-Q173 HydrophobicContact CZ-CB 3.69Å
161	E	95.9	Very high	96.7	Very high	84 Å²	84	40.2 Å²	40.2	39%	0.393	20%	0.202	S	C	.	.	H	α-helix	trans	-62.1	-21.6	175.7	-67.7	-63.1	142.4	0	0	113.1	R157 A158 C159 K302	R157-E161 WeakPolarHBondContact O-CG 3.25Å; R157-E161 PolarHBondContact O-N 2.99Å; A158-E161 PolarHBondContact O-N 3.46Å; C159-E161 VanDerWaalsContact C-N 3.35Å; C159-E161 PolarHBondContact O-N 3.41Å; E161-K302 IonicContact OE2-NZ 3.41Å; E161-K302 PolarHBondContact OE2-NZ 3.33Å
162	R	96.6	Very high	96.7	Very high	54 Å²	54	39.7 Å²	39.7	20%	0.204	20%	0.2	C	C	.	.	T	Hydrogen-bonded Turn	trans	-97.1	16.6	174.9	-65.5	178	63.5	-169	-1	112.9	L110 T111 P112 C159 F160 N164 E165 Y166	L110-R162 HydrophobicContact CD1-CB 4.11Å; T111-R162 PolarHBondContact O-NH2 3.03Å; T111-R162 VanDerWaalsContact O-NH2 3.08Å; P112-R162 PolarHBondContact O-NH1 3.41Å; C159-R162 CarbonylContact O-C 3.57Å; C159-R162 PolarHBondContact O-N 2.61Å; C159-R162 VanDerWaalsContact O-N 3.13Å; F160-R162 PolarHBondContact O-N 3.1Å; F160-R162 VanDerWaalsContact O-N 3.15Å; R162-N164 PolarHBondContact O-N 3.34Å; R162-E165 WeakPolarHBondContact CB-OE1 3.18Å; R162-E165 IonicContact CZ-OE1 2.76Å; R162-E165 IonicContact CZ-OE2 3.01Å; R162-E165 IonicContact NE-OE1 3.38Å; R162-E165 PolarHBondContact NE-OE1 2.98Å; R162-E165 IonicContact NE-OE2 3.94Å; R162-E165 IonicContact NH2-OE1 3.94Å; R162-E165 PolarHBondContact NH2-OE1 2.99Å; R162-E165 IonicContact NH2-OE2 3.96Å; R162-E165 PolarHBondContact NH2-OE2 3.01Å; R162-E165 WeakPolarHBondContact O-CB 3.47Å; R162-E165 PolarHBondContact O-N 2.95Å; R162-Y166 WeakPolarHBondContact O-CE1 3.47Å
163	S	96.7	Very high	96.7	Very high	28 Å²	28	36.3 Å²	36.3	20%	0.196	18%	0.184	C	C	.	.	G	3₁₀ helix	trans	-62.4	-11	-176.8	55.9	0	0	0	0	115.4	F160 E165 Y166	F160-S163 WeakPolarHBondContact O-CB 3.22Å; F160-S163 PolarHBondContact O-N 2.99Å; F160-S163 PolarHBondContact O-OG 3.31Å; S163-E165 PolarHBondContact O-N 2.65Å; S163-Y166 VanDerWaalsContact CA-CZ 3.48Å; S163-Y166 PolarHBondContact O-N 3.42Å
164	N	95.4	Very high	96.6	Very high	30 Å²	30	37.7 Å²	37.7	16%	0.16	19%	0.189	C	C	.	.	G	3₁₀ helix	trans	-72.2	-16.6	171.4	69.8	-70.3	0	0	0	113.4	R162 Y166 N251 M252	R162-N164 PolarHBondContact O-N 3.34Å; N164-Y166 VanDerWaalsContact C-N 3.33Å; N164-N251 WeakPolarHBondContact CB-ND2 3.39Å; N164-M252 HydrophobicContact CB-CG 4.14Å
165	E	95.8	Very high	96.6	Very high	95 Å²	95	31.7 Å²	31.7	44%	0.444	16%	0.157	S	C	.	.	G	3₁₀ helix	trans	-84.3	-6.9	177.9	-61.6	177	-126.4	0	0	112.8	L110 R162 S163	L110-E165 HydrophobicContact CD2-CB 3.58Å; L110-E165 HydrophobicContact CD2-CG 4.3Å; L110-E165 WeakPolarHBondContact CD2-OE2 3.36Å; R162-E165 WeakPolarHBondContact CB-OE1 3.18Å; R162-E165 IonicContact CZ-OE1 2.76Å; R162-E165 IonicContact CZ-OE2 3.01Å; R162-E165 IonicContact NE-OE1 3.38Å; R162-E165 PolarHBondContact NE-OE1 2.98Å; R162-E165 IonicContact NE-OE2 3.94Å; R162-E165 IonicContact NH2-OE1 3.94Å; R162-E165 PolarHBondContact NH2-OE1 2.99Å; R162-E165 IonicContact NH2-OE2 3.96Å; R162-E165 PolarHBondContact NH2-OE2 3.01Å; R162-E165 WeakPolarHBondContact O-CB 3.47Å; R162-E165 PolarHBondContact O-N 2.95Å; S163-E165 PolarHBondContact O-N 2.65Å
166	Y	96.8	Very high	96.6	Very high	27 Å²	27	31.6 Å²	31.6	11%	0.106	16%	0.155	C	C	.	.	T	Hydrogen-bonded Turn	trans	-145.5	-177.1	177.5	56.9	-90.2	0	0	0	111.5	T102 A106 L110 C159 R162 S163 N164 L168	T102-Y166 HydrophobicContact CG2-CD2 3.83Å; T102-Y166 HydrophobicContact CG2-CE2 4.06Å; A106-Y166 HydrophobicContact CB-CD1 3.5Å; A106-Y166 HydrophobicContact CB-CD2 3.81Å; A106-Y166 HydrophobicContact CB-CE1 3.5Å; A106-Y166 HydrophobicContact CB-CE2 3.82Å; A106-Y166 HydrophobicContact CB-CG 3.65Å; L110-Y166 HydrophobicContact CD1-CE1 4.21Å; L110-Y166 HydrophobicContact CD2-CD1 3.95Å; L110-Y166 HydrophobicContact CD2-CE1 4.29Å; L110-Y166 HydrophobicContact CG-CD1 4.45Å; C159-Y166 PolarHBondContact O-OH 2.85Å; R162-Y166 WeakPolarHBondContact O-CE1 3.47Å; S163-Y166 VanDerWaalsContact CA-CZ 3.48Å; S163-Y166 PolarHBondContact O-N 3.42Å; N164-Y166 VanDerWaalsContact C-N 3.33Å; Y166-L168 HydrophobicContact CD2-CB 4.26Å; Y166-L168 HydrophobicContact CE2-CB 3.94Å; Y166-L168 HydrophobicContact CE2-CD2 4.42Å; Y166-L168 PolarHBondContact O-N 2.94Å
167	Q	96.1	Very high	96.6	Very high	29 Å²	29	36 Å²	36	14%	0.136	18%	0.178	C	C	.	.	T	Hydrogen-bonded Turn	trans	-98.9	70.9	-170.5	-64.8	-63	-20	0	0	113.5	V253 I254 R255 N258	Q167-V253 PolarHBondContact NE2-O 3.44Å; Q167-I254 PolarHBondContact NE2-O 3.11Å; Q167-R255 HydrophobicContact CB-CG 4.15Å; Q167-R255 HydrophobicContact CG-CG 3.89Å; Q167-R255 PolarHBondContact O-NH2 2.91Å; Q167-N258 VanDerWaalsContact CG-OD1 3.28Å; Q167-N258 WeakPolarHBondContact CG-OD1 3.48Å; Q167-N258 PolarHBondContact NE2-OD1 3.33Å
168	L	96.3	Very high	96.5	Very high	6 Å²	6	35.6 Å²	35.6	3%	0.031	18%	0.179	C	C	.	.			trans	-84.1	154	175.8	-166.9	58.7	0	0	0	113.2	T102 I103 F160 Y166 A172	T102-L168 HydrophobicContact CG2-CD1 4.01Å; I103-L168 HydrophobicContact CD1-CD1 4.29Å; I103-L168 HydrophobicContact CD1-CD2 4.17Å; I103-L168 HydrophobicContact CG1-CD1 3.84Å; I103-L168 HydrophobicContact CG1-CD2 3.96Å; F160-L168 HydrophobicContact CD2-CD2 3.48Å; F160-L168 VanDerWaalsContact CD2-CD2 3.48Å; F160-L168 HydrophobicContact CE2-CD2 3.63Å; Y166-L168 HydrophobicContact CD2-CB 4.26Å; Y166-L168 HydrophobicContact CE2-CB 3.94Å; Y166-L168 HydrophobicContact CE2-CD2 4.42Å; Y166-L168 PolarHBondContact O-N 2.94Å; L168-A172 HydrophobicContact CD1-CB 3.98Å; L168-A172 HydrophobicContact CD2-CB 3.86Å; L168-A172 HydrophobicContact CG-CB 3.87Å
169	I	94.6	Very high	96.6	Very high	3 Å²	3	33.5 Å²	33.5	2%	0.015	16%	0.161	C	C	.	.			trans	-82.9	137.6	175	77.4	-177.6	0	0	0	110.1	N95 E98 A99 C171 A172	N95-I169 HydrophobicContact CB-CD1 3.84Å; N95-I169 WeakPolarHBondContact O-CD1 3.5Å; E98-I169 HydrophobicContact CG-CG2 4.05Å; E98-I169 WeakPolarHBondContact OE1-CG2 3.41Å; A99-I169 HydrophobicContact CB-CD1 4.16Å; A99-I169 HydrophobicContact CB-CG1 4.35Å; I169-C171 VanDerWaalsContact CD1-SG 3.55Å; I169-C171 PolarHBondContact O-N 3.03Å; I169-C171 VanDerWaalsContact O-N 3.13Å; I169-A172 HydrophobicContact CG1-CB 4.06Å; I169-A172 VanDerWaalsContact O-CB 3.25Å; I169-A172 WeakPolarHBondContact O-CB 3.34Å; I169-A172 PolarHBondContact O-N 3.5Å; I169-A172 VanDerWaalsContact O-N 3.08Å
170	D	92	Very high	96.5	Very high	69 Å²	69	36.5 Å²	36.5	37%	0.369	18%	0.177	S	C	.	.	T	Hydrogen-bonded Turn	trans	-62.1	-25.9	-175.9	-59.5	-34.8	0	0	0	114	A172 K290	D170-A172 VanDerWaalsContact C-N 3.28Å; D170-A172 PolarHBondContact O-N 3.21Å; D170-K290 IonicContact OD1-NZ 3.92Å; D170-K290 WeakPolarHBondContact OD2-CE 3.43Å; D170-K290 IonicContact OD2-NZ 3.11Å; D170-K290 PolarHBondContact OD2-NZ 2.76Å
171	C	95.1	Very high	96.5	Very high	6 Å²	6	40 Å²	40	4%	0.041	20%	0.196	C	C	.	.	T	Hydrogen-bonded Turn	trans	-85.3	4.8	-179.7	59.1	0	0	0	0	114	I169 Y174 F175 R196	I169-C171 VanDerWaalsContact CD1-SG 3.55Å; I169-C171 PolarHBondContact O-N 3.03Å; I169-C171 VanDerWaalsContact O-N 3.13Å; C171-Y174 PolarHBondContact O-N 3.15Å; C171-F175 HydrophobicContact CB-CD2 3.77Å; C171-F175 HydrophobicContact CB-CE2 3.71Å; C171-F175 WeakPolarHBondContact O-CD2 3.2Å; C171-F175 PolarHBondContact O-N 2.88Å; C171-F175 VanDerWaalsContact O-N 3.1Å; C171-R196 HydrophobicContact CB-CB 4.26Å; C171-R196 WeakPolarHBondContact CB-O 3.37Å; C171-R196 PolarHBondContact SG-O 3.07Å; C171-R196 VanDerWaalsContact SG-O 3.4Å
172	A	97.4	Very high	96.5	Very high	1 Å²	1	36 Å²	36	1%	0.008	18%	0.178	C	C	.	.	H	α-helix	trans	-52.5	-60.1	-176.4	0	0	0	0	0	112.1	A99 F160 L168 I169 D170 Y174 F175 L176	A99-A172 HydrophobicContact CB-CB 3.69Å; F160-A172 HydrophobicContact CE2-CB 4.27Å; L168-A172 HydrophobicContact CD1-CB 3.98Å; L168-A172 HydrophobicContact CD2-CB 3.86Å; L168-A172 HydrophobicContact CG-CB 3.87Å; I169-A172 HydrophobicContact CG1-CB 4.06Å; I169-A172 VanDerWaalsContact O-CB 3.25Å; I169-A172 WeakPolarHBondContact O-CB 3.34Å; I169-A172 PolarHBondContact O-N 3.5Å; I169-A172 VanDerWaalsContact O-N 3.08Å; D170-A172 VanDerWaalsContact C-N 3.28Å; D170-A172 PolarHBondContact O-N 3.21Å; A172-Y174 VanDerWaalsContact C-N 3.33Å; A172-Y174 PolarHBondContact O-N 2.8Å; A172-F175 PolarHBondContact O-N 2.76Å; A172-L176 HydrophobicContact CB-CD1 4.49Å; A172-L176 WeakPolarHBondContact O-CB 3.43Å; A172-L176 WeakPolarHBondContact O-CG 3.42Å; A172-L176 PolarHBondContact O-N 2.98Å
173	Q	97	Very high	96.5	Very high	59 Å²	59	36.4 Å²	36.4	28%	0.276	18%	0.18	S	C	.	.	H	α-helix	trans	-57.8	-45.5	179.9	174.3	171.9	5.7	0	0	112.1	W151 F160 F175 L176 D177	W151-Q173 HydrophobicContact CH2-CB 4.44Å; W151-Q173 HydrophobicContact CZ2-CB 4.13Å; W151-Q173 HydrophobicContact CZ2-CG 4.09Å; F160-Q173 HydrophobicContact CE1-CB 4.36Å; F160-Q173 HydrophobicContact CE2-CB 4.19Å; F160-Q173 HydrophobicContact CZ-CB 3.69Å; Q173-F175 VanDerWaalsContact C-N 3.31Å; Q173-F175 PolarHBondContact O-N 3.41Å; Q173-L176 PolarHBondContact O-N 3.45Å; Q173-D177 VanDerWaalsContact CG-OD2 3.23Å; Q173-D177 WeakPolarHBondContact CG-OD2 3.33Å; Q173-D177 VanDerWaalsContact O-CB 3.29Å; Q173-D177 WeakPolarHBondContact O-CB 3.32Å; Q173-D177 PolarHBondContact O-N 3.06Å
174	Y	97.2	Very high	96.5	Very high	35 Å²	35	39.7 Å²	39.7	14%	0.137	19%	0.193	C	C	.	.	H	α-helix	trans	-56.5	-42.3	-178.4	176.2	-92.4	0	0	0	113.1	C171 A172 K178 Q192 D193 R196	C171-Y174 PolarHBondContact O-N 3.15Å; A172-Y174 VanDerWaalsContact C-N 3.33Å; A172-Y174 PolarHBondContact O-N 2.8Å; Y174-K178 HydrophobicContact CE1-CD 4.15Å; Y174-K178 HydrophobicContact CE2-CD 4.4Å; Y174-K178 VanDerWaalsContact CZ-NZ 3.29Å; Y174-K178 WeakPolarHBondContact O-CG 3.45Å; Y174-K178 PolarHBondContact OH-NZ 2.98Å; Y174-Q192 HydrophobicContact CE2-CG 4.19Å; Y174-Q192 WeakPolarHBondContact OH-CG 3.04Å; Y174-D193 WeakPolarHBondContact CE1-OD1 3.29Å; Y174-D193 VanDerWaalsContact CZ-OD1 3.26Å; Y174-D193 PolarHBondContact OH-OD1 3.31Å; Y174-R196 HydrophobicContact CD1-CB 3.86Å; Y174-R196 HydrophobicContact CD1-CG 3.98Å; Y174-R196 HydrophobicContact CD2-CG 4.32Å; Y174-R196 HydrophobicContact CE1-CB 3.95Å; Y174-R196 HydrophobicContact CE1-CG 3.99Å; Y174-R196 HydrophobicContact CE2-CG 4.29Å; Y174-R196 HydrophobicContact CG-CB 4.42Å; Y174-R196 HydrophobicContact CG-CG 4.15Å
175	F	98.3	Very high	96.3	Very high	0 Å²	0	46.7 Å²	46.7	0%	0	23%	0.23	C	C	.	.	H	α-helix	trans	-85.3	-33.7	-180	-70.8	-56.9	0	0	0	113.2	I92 N95 I96 C171 A172 Q173 D177 K178 I179 D193 R196 C197	I92-F175 HydrophobicContact CB-CE1 4.39Å; I92-F175 HydrophobicContact CD1-CE1 4.46Å; I92-F175 HydrophobicContact CG1-CE1 4.09Å; I92-F175 HydrophobicContact CG1-CZ 3.98Å; I92-F175 HydrophobicContact CG2-CD1 3.72Å; I92-F175 HydrophobicContact CG2-CE1 3.54Å; I92-F175 HydrophobicContact CG2-CG 4.43Å; I92-F175 HydrophobicContact CG2-CZ 4.11Å; N95-F175 HydrophobicContact CB-CD2 4.09Å; N95-F175 HydrophobicContact CB-CE2 4.28Å; I96-F175 HydrophobicContact CD1-CB 4.37Å; I96-F175 HydrophobicContact CG1-CB 3.67Å; C171-F175 HydrophobicContact CB-CD2 3.77Å; C171-F175 HydrophobicContact CB-CE2 3.71Å; C171-F175 WeakPolarHBondContact O-CD2 3.2Å; C171-F175 PolarHBondContact O-N 2.88Å; C171-F175 VanDerWaalsContact O-N 3.1Å; A172-F175 PolarHBondContact O-N 2.76Å; Q173-F175 VanDerWaalsContact C-N 3.31Å; Q173-F175 PolarHBondContact O-N 3.41Å; F175-D177 VanDerWaalsContact C-N 3.33Å; F175-K178 CarbonylContact O-C 3.56Å; F175-K178 PolarHBondContact O-N 3.29Å; F175-I179 PolarHBondContact O-N 3.38Å; F175-D193 HydrophobicContact CE1-CB 4.17Å; F175-R196 HydrophobicContact CE2-CB 4.29Å; F175-R196 HydrophobicContact CZ-CB 4.11Å; F175-C197 HydrophobicContact CZ-CB 4.19Å
176	L	98.2	Very high	96.2	Very high	4 Å²	4	48.4 Å²	48.4	2%	0.021	24%	0.242	C	C	.	.	H	α-helix	trans	-65.2	-36.9	175.1	-68.4	172.4	0	0	0	111.7	I96 A99 I100 I103 W151 A172 Q173 K178 I179	I96-L176 HydrophobicContact CG2-CD2 4.23Å; A99-L176 HydrophobicContact CB-CD1 4.12Å; A99-L176 HydrophobicContact CB-CG 4.29Å; I100-L176 HydrophobicContact CB-CD2 4.1Å; I100-L176 HydrophobicContact CD1-CD2 4.45Å; I103-L176 HydrophobicContact CD1-CD1 3.78Å; W151-L176 HydrophobicContact CD2-CB 3.74Å; W151-L176 HydrophobicContact CD2-CD1 3.81Å; W151-L176 HydrophobicContact CD2-CG 4.34Å; W151-L176 HydrophobicContact CE3-CB 4.47Å; W151-L176 HydrophobicContact CE3-CD1 3.66Å; W151-L176 HydrophobicContact CG-CB 3.81Å; W151-L176 HydrophobicContact CG-CD1 4.45Å; W151-L176 HydrophobicContact CH2-CD1 4.07Å; W151-L176 HydrophobicContact CZ2-CB 4.04Å; W151-L176 HydrophobicContact CZ2-CD1 4.16Å; W151-L176 HydrophobicContact CZ3-CD1 3.82Å; A172-L176 HydrophobicContact CB-CD1 4.49Å; A172-L176 WeakPolarHBondContact O-CB 3.43Å; A172-L176 WeakPolarHBondContact O-CG 3.42Å; A172-L176 PolarHBondContact O-N 2.98Å; Q173-L176 PolarHBondContact O-N 3.45Å; L176-K178 PolarHBondContact O-N 3.05Å; L176-I179 HydrophobicContact CD2-CD1 3.97Å; L176-I179 WeakPolarHBondContact O-CD1 3.3Å; L176-I179 VanDerWaalsContact O-CG1 3.31Å; L176-I179 WeakPolarHBondContact O-CG1 3.45Å; L176-I179 PolarHBondContact O-N 2.65Å
177	D	98.1	Very high	96.2	Very high	92 Å²	92	48 Å²	48	49%	0.492	24%	0.241	S	C	.	.	T	Hydrogen-bonded Turn	trans	-67.7	-14.6	173.1	-68	-16.1	0	0	0	112.7	W151 R157 Q173 F175	W151-D177 PolarHBondContact NE1-OD1 3.33Å; R157-D177 IonicContact NH1-OD1 3.22Å; Q173-D177 VanDerWaalsContact CG-OD2 3.23Å; Q173-D177 WeakPolarHBondContact CG-OD2 3.33Å; Q173-D177 VanDerWaalsContact O-CB 3.29Å; Q173-D177 WeakPolarHBondContact O-CB 3.32Å; Q173-D177 PolarHBondContact O-N 3.06Å; F175-D177 VanDerWaalsContact C-N 3.33Å
178	K	96.8	Very high	96.1	Very high	58 Å²	58	51.2 Å²	51.2	25%	0.252	26%	0.262	S	S	.	.	T	Hydrogen-bonded Turn	trans	-113.9	15.5	-176.4	-70.6	-173.2	171.8	-164.7	0	114.2	Y174 F175 L176 D180 I181 V182 D193	Y174-K178 HydrophobicContact CE1-CD 4.15Å; Y174-K178 HydrophobicContact CE2-CD 4.4Å; Y174-K178 VanDerWaalsContact CZ-NZ 3.29Å; Y174-K178 WeakPolarHBondContact O-CG 3.45Å; Y174-K178 PolarHBondContact OH-NZ 2.98Å; F175-K178 CarbonylContact O-C 3.56Å; F175-K178 PolarHBondContact O-N 3.29Å; L176-K178 PolarHBondContact O-N 3.05Å; K178-D180 PolarHBondContact O-N 2.68Å; K178-I181 HydrophobicContact CG-CD1 4.29Å; K178-I181 WeakPolarHBondContact O-CB 3.47Å; K178-I181 PolarHBondContact O-N 3.42Å; K178-V182 PolarHBondContact O-N 3.46Å; K178-D193 IonicContact NZ-OD1 3.64Å
179	I	97.9	Very high	96.1	Very high	2 Å²	2	51 Å²	51	1%	0.01	26%	0.262	C	S	.	.	H	α-helix	trans	-51.8	-42.9	-178.5	-75.3	166.9	0	0	0	112.2	I96 Y144 A147 K148 F175 L176 I181 V182 K183	I96-I179 HydrophobicContact CD1-CG1 4.42Å; I96-I179 HydrophobicContact CG2-CG1 4.22Å; Y144-I179 HydrophobicContact CD1-CG2 3.99Å; Y144-I179 HydrophobicContact CG-CG2 4.37Å; A147-I179 HydrophobicContact CB-CD1 4.09Å; K148-I179 HydrophobicContact CB-CD1 4.15Å; K148-I179 HydrophobicContact CB-CG2 4.06Å; F175-I179 PolarHBondContact O-N 3.38Å; L176-I179 HydrophobicContact CD2-CD1 3.97Å; L176-I179 WeakPolarHBondContact O-CD1 3.3Å; L176-I179 VanDerWaalsContact O-CG1 3.31Å; L176-I179 WeakPolarHBondContact O-CG1 3.45Å; L176-I179 PolarHBondContact O-N 2.65Å; I179-I181 PolarHBondContact O-N 3.2Å; I179-V182 PolarHBondContact O-N 3.37Å; I179-K183 WeakPolarHBondContact O-CB 3.36Å; I179-K183 WeakPolarHBondContact O-CG 3.43Å; I179-K183 PolarHBondContact O-N 3.28Å
180	D	97.3	Very high	96.2	Very high	62 Å²	62	54.1 Å²	54.1	33%	0.332	28%	0.281	S	S	.	.	H	α-helix	trans	-65.8	-24.8	-178.7	-69.3	-48	0	0	0	114.3	K148 K178 K183 Q184	K148-D180 WeakPolarHBondContact CE-OD2 3.27Å; K148-D180 IonicContact NZ-OD1 3.66Å; K148-D180 PolarHBondContact NZ-OD1 2.99Å; K148-D180 IonicContact NZ-OD2 3.45Å; K148-D180 PolarHBondContact NZ-OD2 3.03Å; K178-D180 PolarHBondContact O-N 2.68Å; D180-K183 WeakPolarHBondContact OD1-CE 3.23Å; D180-K183 IonicContact OD1-NZ 2.71Å; D180-K183 PolarHBondContact OD1-NZ 3.14Å; D180-Q184 WeakPolarHBondContact O-CG 3.37Å; D180-Q184 PolarHBondContact O-NE2 3.04Å
181	I	97.1	Very high	96.2	Very high	96 Å²	96	53.7 Å²	53.7	49%	0.492	28%	0.279	S	S	.	.	H	α-helix	trans	-82.1	-47.8	176.6	-58.7	174.2	0	0	0	109.1	K178 I179 K183 Q184 Y187	K178-I181 HydrophobicContact CG-CD1 4.29Å; K178-I181 WeakPolarHBondContact O-CB 3.47Å; K178-I181 PolarHBondContact O-N 3.42Å; I179-I181 PolarHBondContact O-N 3.2Å; I181-K183 VanDerWaalsContact C-N 3.29Å; I181-K183 PolarHBondContact O-N 2.92Å; I181-Q184 PolarHBondContact O-N 3.08Å; I181-Y187 HydrophobicContact CG2-CD2 3.93Å; I181-Y187 HydrophobicContact CG2-CE2 4.07Å
182	V	96.6	Very high	96.2	Very high	1 Å²	1	56.3 Å²	56.3	1%	0.006	29%	0.29	C	S	.	.	H	α-helix	trans	-68.7	-28	-176	178.8	0	0	0	0	112.4	I92 K93 I96 K178 I179 Q184 Y187	I92-V182 HydrophobicContact CG2-CG1 4.04Å; I92-V182 HydrophobicContact CG2-CG2 4.15Å; K93-V182 HydrophobicContact CG-CG1 4.12Å; I96-V182 HydrophobicContact CD1-CB 3.84Å; I96-V182 HydrophobicContact CD1-CG1 3.67Å; I96-V182 HydrophobicContact CD1-CG2 4.08Å; K178-V182 PolarHBondContact O-N 3.46Å; I179-V182 PolarHBondContact O-N 3.37Å; V182-Q184 VanDerWaalsContact C-N 3.26Å; V182-Q184 PolarHBondContact O-N 2.88Å; V182-Y187 HydrophobicContact CB-CE1 4.45Å; V182-Y187 HydrophobicContact CG1-CD1 4.28Å; V182-Y187 HydrophobicContact CG1-CE1 4.09Å; V182-Y187 HydrophobicContact CG2-CE1 4.22Å; V182-Y187 HydrophobicContact CG2-CE2 4.23Å
183	K	96.2	Very high	96.1	Very high	61 Å²	61	56.5 Å²	56.5	27%	0.265	29%	0.291	S	S	.	.	T	Hydrogen-bonded Turn	trans	-72.4	-14.3	179	79.1	-175.4	-171.1	-170.5	0	114.3	Y144 D145 I179 D180 I181	Y144-K183 HydrophobicContact CD1-CB 3.86Å; Y144-K183 HydrophobicContact CD2-CB 3.67Å; Y144-K183 HydrophobicContact CE1-CB 4.19Å; Y144-K183 HydrophobicContact CE2-CB 4.02Å; Y144-K183 HydrophobicContact CG-CB 3.56Å; D145-K183 IonicContact OD1-NZ 2.63Å; I179-K183 WeakPolarHBondContact O-CB 3.36Å; I179-K183 WeakPolarHBondContact O-CG 3.43Å; I179-K183 PolarHBondContact O-N 3.28Å; D180-K183 WeakPolarHBondContact OD1-CE 3.23Å; D180-K183 IonicContact OD1-NZ 2.71Å; D180-K183 PolarHBondContact OD1-NZ 3.14Å; I181-K183 VanDerWaalsContact C-N 3.29Å; I181-K183 PolarHBondContact O-N 2.92Å
184	Q	96.3	Very high	96	Very high	98 Å²	98	53.8 Å²	53.8	46%	0.458	28%	0.278	S	S	.	.	S	Bend	trans	-69.7	143.2	-178.6	-56.6	-58.3	-36.4	0	0	111.3	D180 I181 V182 D186 Y187	D180-Q184 WeakPolarHBondContact O-CG 3.37Å; D180-Q184 PolarHBondContact O-NE2 3.04Å; I181-Q184 PolarHBondContact O-N 3.08Å; V182-Q184 VanDerWaalsContact C-N 3.26Å; V182-Q184 PolarHBondContact O-N 2.88Å; Q184-D186 VanDerWaalsContact C-N 3.26Å; Q184-D186 WeakPolarHBondContact CB-OD1 3.49Å; Q184-D186 PolarHBondContact O-N 2.91Å; Q184-Y187 VanDerWaalsContact O-CB 3.24Å; Q184-Y187 WeakPolarHBondContact O-CB 3.27Å; Q184-Y187 PolarHBondContact O-N 3.36Å
185	N	91.9	Very high	95.9	Very high	176 Å²	176	52.2 Å²	52.2	94%	0.941	27%	0.272	S	S	*	.	T	Hydrogen-bonded Turn	trans	-68.6	-25.6	-178.3	-71.2	-31.2	0	0	0	113.3
186	D	94.3	Very high	95.7	Very high	131 Å²	131	55.6 Å²	55.6	70%	0.701	29%	0.285	S	S	*	.	T	Hydrogen-bonded Turn	trans	-96.6	8.5	178.3	64.7	-24.3	0	0	0	113	Q184 T188	Q184-D186 VanDerWaalsContact C-N 3.26Å; Q184-D186 WeakPolarHBondContact CB-OD1 3.49Å; Q184-D186 PolarHBondContact O-N 2.91Å; D186-T188 PolarHBondContact O-N 3.1Å
187	Y	95.6	Very high	95.5	Very high	19 Å²	19	55.6 Å²	55.6	8%	0.075	29%	0.285	C	S	.	.			trans	-55.2	123.4	178.3	171	-114.5	0	0	0	111.7	I89 I92 I181 V182 Q184 P189 D193	I89-Y187 VanDerWaalsContact CD1-O 3.32Å; I89-Y187 WeakPolarHBondContact CD1-O 3.31Å; I89-Y187 HydrophobicContact CG1-CD1 4.25Å; I89-Y187 HydrophobicContact CG1-CE1 4.37Å; I89-Y187 HydrophobicContact CG2-CD1 4.23Å; I92-Y187 HydrophobicContact CD1-CE1 4.44Å; I181-Y187 HydrophobicContact CG2-CD2 3.93Å; I181-Y187 HydrophobicContact CG2-CE2 4.07Å; V182-Y187 HydrophobicContact CB-CE1 4.45Å; V182-Y187 HydrophobicContact CG1-CD1 4.28Å; V182-Y187 HydrophobicContact CG1-CE1 4.09Å; V182-Y187 HydrophobicContact CG2-CE1 4.22Å; V182-Y187 HydrophobicContact CG2-CE2 4.23Å; Q184-Y187 VanDerWaalsContact O-CB 3.24Å; Q184-Y187 WeakPolarHBondContact O-CB 3.27Å; Q184-Y187 PolarHBondContact O-N 3.36Å; Y187-P189 HydrophobicContact CE1-CG 3.8Å; Y187-D193 PolarHBondContact OH-OD2 3.06Å
188	T	94.9	Very high	95.2	Very high	96 Å²	96	53 Å²	53	59%	0.589	27%	0.269	S	S	*	.			trans	-120.6	121.8	171.9	-61.8	0	0	0	0	109	K85 D186 T190	K85-T188 HydrophobicContact CD-CG2 4.35Å; D186-T188 PolarHBondContact O-N 3.1Å; T188-T190 PolarHBondContact O-N 2.55Å
189	P	96.4	Very high	94.8	Very high	2 Å²	2	53.3 Å²	53.3	1%	0.013	28%	0.275	C	S	.	.			trans	-60	133.3	-178.1	-25.7	34.4	0	0	0	113.1	I89 I92 Y187 D193 L194	I89-P189 HydrophobicContact CG1-CG 3.66Å; I92-P189 HydrophobicContact CD1-CB 3.71Å; I92-P189 HydrophobicContact CD1-CG 3.68Å; Y187-P189 HydrophobicContact CE1-CG 3.8Å; P189-D193 HydrophobicContact CB-CB 4.13Å; P189-L194 HydrophobicContact CB-CD2 3.78Å; P189-L194 HydrophobicContact CB-CG 4.21Å; P189-L194 HydrophobicContact CG-CD2 4.48Å
190	T	95.1	Very high	94.3	Very high	69 Å²	69	58.1 Å²	58.1	42%	0.423	30%	0.301	S	S	.	.			trans	-74.1	161.2	167.9	67.5	0	0	0	0	110.2	T188 Q192 D193 L194	T188-T190 PolarHBondContact O-N 2.55Å; T190-Q192 PolarHBondContact O-N 2.79Å; T190-D193 WeakPolarHBondContact CB-OD2 3.17Å; T190-D193 PolarHBondContact N-OD2 3.28Å; T190-D193 WeakPolarHBondContact O-CB 3.43Å; T190-D193 PolarHBondContact O-N 2.8Å; T190-D193 PolarHBondContact OG1-N 2.98Å; T190-D193 PolarHBondContact OG1-OD2 2.84Å; T190-L194 WeakPolarHBondContact O-CG 3.46Å; T190-L194 PolarHBondContact O-N 3.26Å
191	D	93.3	Very high	93.6	Very high	60 Å²	60	56.7 Å²	56.7	32%	0.321	29%	0.294	S	S	.	.	H	α-helix	trans	-60.6	-29.1	176.7	-63.5	-6.8	0	0	0	111.4	I74 K85 L194 L195	I74-D191 HydrophobicContact CD1-CB 4.1Å; K85-D191 WeakPolarHBondContact CE-OD1 3.33Å; K85-D191 IonicContact NZ-OD1 2.81Å; K85-D191 PolarHBondContact NZ-OD1 3.37Å; D191-L194 PolarHBondContact O-N 2.86Å; D191-L195 VanDerWaalsContact O-CG 3.29Å; D191-L195 WeakPolarHBondContact O-CG 3.49Å; D191-L195 PolarHBondContact O-N 3.1Å
192	Q	94.6	Very high	93.2	Very high	60 Å²	60	55.9 Å²	55.9	28%	0.28	30%	0.297	S	S	.	.	H	α-helix	trans	-65.9	-40.4	172.7	-164.1	63.2	15.2	0	0	112.4	Y174 T190 L194 L195 R196 V364	Y174-Q192 HydrophobicContact CE2-CG 4.19Å; Y174-Q192 WeakPolarHBondContact OH-CG 3.04Å; T190-Q192 PolarHBondContact O-N 2.79Å; Q192-L194 VanDerWaalsContact C-N 3.3Å; Q192-L194 PolarHBondContact O-N 2.81Å; Q192-L195 PolarHBondContact O-N 3.17Å; Q192-R196 WeakPolarHBondContact O-CB 3.48Å; Q192-R196 VanDerWaalsContact O-CG 3.27Å; Q192-R196 WeakPolarHBondContact O-CG 3.44Å; Q192-R196 PolarHBondContact O-N 2.96Å; Q192-V364 PolarHBondContact NE2-O 2.81Å; Q192-V364 VanDerWaalsContact NE2-O 3.1Å; Q192-V364 PolarHBondContact OE1-O 3.08Å
193	D	96.1	Very high	92.8	Very high	5 Å²	5	56.6 Å²	56.6	3%	0.027	31%	0.305	C	S	.	.	H	α-helix	trans	-63.7	-40	174.6	-55.4	-41.3	0	0	0	110.5	I92 Y174 F175 K178 Y187 P189 T190 R196 C197	I92-D193 HydrophobicContact CD1-CB 3.97Å; Y174-D193 WeakPolarHBondContact CE1-OD1 3.29Å; Y174-D193 VanDerWaalsContact CZ-OD1 3.26Å; Y174-D193 PolarHBondContact OH-OD1 3.31Å; F175-D193 HydrophobicContact CE1-CB 4.17Å; K178-D193 IonicContact NZ-OD1 3.64Å; Y187-D193 PolarHBondContact OH-OD2 3.06Å; P189-D193 HydrophobicContact CB-CB 4.13Å; T190-D193 WeakPolarHBondContact CB-OD2 3.17Å; T190-D193 PolarHBondContact N-OD2 3.28Å; T190-D193 WeakPolarHBondContact O-CB 3.43Å; T190-D193 PolarHBondContact O-N 2.8Å; T190-D193 PolarHBondContact OG1-N 2.98Å; T190-D193 PolarHBondContact OG1-OD2 2.84Å; D193-R196 PolarHBondContact O-N 3.32Å; D193-C197 WeakPolarHBondContact O-CB 3.42Å; D193-C197 PolarHBondContact O-N 2.83Å
194	L	94.6	Very high	92.4	Very high	2 Å²	2	56.3 Å²	56.3	1%	0.01	31%	0.306	C	S	.	.	H	α-helix	trans	-66.5	-37.9	177.2	-58.6	176.5	0	0	0	112.5	K70 F80 K85 K88 P189 T190 D191 Q192	K70-L194 WeakPolarHBondContact CD-O 3.45Å; K70-L194 PolarHBondContact NZ-O 3.3Å; F80-L194 HydrophobicContact CB-CD1 3.66Å; F80-L194 HydrophobicContact CD1-CD1 4.28Å; F80-L194 HydrophobicContact CD2-CB 4.4Å; F80-L194 HydrophobicContact CD2-CD1 3.38Å; F80-L194 HydrophobicContact CE2-CB 4.3Å; F80-L194 HydrophobicContact CE2-CD1 4.09Å; F80-L194 HydrophobicContact CG-CD1 3.5Å; K85-L194 HydrophobicContact CG-CD1 3.97Å; K88-L194 HydrophobicContact CB-CD2 3.49Å; K88-L194 VanDerWaalsContact CB-CD2 3.49Å; K88-L194 HydrophobicContact CG-CD2 3.76Å; P189-L194 HydrophobicContact CB-CD2 3.78Å; P189-L194 HydrophobicContact CB-CG 4.21Å; P189-L194 HydrophobicContact CG-CD2 4.48Å; T190-L194 WeakPolarHBondContact O-CG 3.46Å; T190-L194 PolarHBondContact O-N 3.26Å; D191-L194 PolarHBondContact O-N 2.86Å; Q192-L194 VanDerWaalsContact C-N 3.3Å; Q192-L194 PolarHBondContact O-N 2.81Å
195	L	93.8	Very high	92.2	Very high	2 Å²	2	56.9 Å²	56.9	1%	0.01	31%	0.307	C	S	.	.	H	α-helix	trans	-66.6	-40.6	176.3	-75.7	167.8	0	0	0	112.1	T67 K70 Q71 I74 D191 Q192	T67-L195 HydrophobicContact CG2-CB 4.42Å; T67-L195 HydrophobicContact CG2-CD2 3.89Å; K70-L195 HydrophobicContact CB-CD2 3.8Å; Q71-L195 HydrophobicContact CG-CD2 3.75Å; Q71-L195 VanDerWaalsContact NE2-CD1 3.32Å; I74-L195 HydrophobicContact CD1-CD1 3.86Å; I74-L195 HydrophobicContact CD1-CD2 3.93Å; I74-L195 HydrophobicContact CD1-CG 3.85Å; D191-L195 VanDerWaalsContact O-CG 3.29Å; D191-L195 WeakPolarHBondContact O-CG 3.49Å; D191-L195 PolarHBondContact O-N 3.1Å; Q192-L195 PolarHBondContact O-N 3.17Å
196	R	94.5	Very high	92.1	Very high	71 Å²	71	53.5 Å²	53.5	27%	0.268	29%	0.285	S	S	.	.	H	α-helix	trans	-79.4	-25.1	178.7	-64.7	-72.1	177.5	105.4	-8.8	113	C171 Y174 F175 Q192 D193 R198	C171-R196 HydrophobicContact CB-CB 4.26Å; C171-R196 WeakPolarHBondContact CB-O 3.37Å; C171-R196 PolarHBondContact SG-O 3.07Å; C171-R196 VanDerWaalsContact SG-O 3.4Å; Y174-R196 HydrophobicContact CD1-CB 3.86Å; Y174-R196 HydrophobicContact CD1-CG 3.98Å; Y174-R196 HydrophobicContact CD2-CG 4.32Å; Y174-R196 HydrophobicContact CE1-CB 3.95Å; Y174-R196 HydrophobicContact CE1-CG 3.99Å; Y174-R196 HydrophobicContact CE2-CG 4.29Å; Y174-R196 HydrophobicContact CG-CB 4.42Å; Y174-R196 HydrophobicContact CG-CG 4.15Å; F175-R196 HydrophobicContact CE2-CB 4.29Å; F175-R196 HydrophobicContact CZ-CB 4.11Å; Q192-R196 WeakPolarHBondContact O-CB 3.48Å; Q192-R196 VanDerWaalsContact O-CG 3.27Å; Q192-R196 WeakPolarHBondContact O-CG 3.44Å; Q192-R196 PolarHBondContact O-N 2.96Å; D193-R196 PolarHBondContact O-N 3.32Å; R196-R198 PolarHBondContact O-N 3.39Å
197	C	94.9	Very high	92	Very high	4 Å²	4	48.3 Å²	48.3	3%	0.027	26%	0.258	C	S	.	.			trans	-59	125.1	178.4	174.3	0	0	0	0	110.6	K70 D91 I92 F175 D193	K70-C197 PolarHBondContact NZ-O 3.07Å; D91-C197 VanDerWaalsContact CB-SG 3.53Å; I92-C197 HydrophobicContact CG1-CB 3.91Å; F175-C197 HydrophobicContact CZ-CB 4.19Å; D193-C197 WeakPolarHBondContact O-CB 3.42Å; D193-C197 PolarHBondContact O-N 2.83Å
198	R	91.6	Very high	91.8	Very high	37 Å²	37	55.5 Å²	55.5	14%	0.14	29%	0.285	C	S	.	.			trans	-95.4	125.1	180	-176.7	179	172.2	-157.9	-8.8	110.1	E62 N95 E98 R196	E62-R198 IonicContact OE1-CZ 3.2Å; E62-R198 IonicContact OE1-NE 2.84Å; E62-R198 IonicContact OE1-NH1 3.52Å; E62-R198 PolarHBondContact OE1-NH1 3.04Å; E62-R198 IonicContact OE1-NH2 3.77Å; E62-R198 PolarHBondContact OE1-NH2 3.32Å; N95-R198 PolarHBondContact ND2-O 3.49Å; N95-R198 PolarHBondContact OD1-N 2.92Å; N95-R198 PolarHBondContact OD1-O 3.22Å; E98-R198 IonicContact OE1-NH1 2.97Å; R196-R198 PolarHBondContact O-N 3.39Å
199	V	89.1	Confident	91.7	Very high	65 Å²	65	51.5 Å²	51.5	39%	0.394	26%	0.26	S	S	.	.			trans	-132.3	132.6	170.8	-177.6	0	0	0	0	107.3	D91 T201	D91-V199 HydrophobicContact CB-CG2 4.18Å; D91-V199 WeakPolarHBondContact OD2-CG2 3.39Å; V199-T201 PolarHBondContact O-N 2.82Å
200	L	85.9	Confident	91.4	Very high	104 Å²	104	56.8 Å²	56.8	55%	0.545	28%	0.284	S	S	.	.			trans	-72.3	112.5	177	-72.4	177.8	0	0	0	109.9	S202	L200-S202 PolarHBondContact O-N 2.78Å
201	T	83.7	Confident	91	Very high	32 Å²	32	54 Å²	54	20%	0.196	27%	0.268	C	S	.	.			trans	-77.8	111	177	-50.1	0	0	0	0	110	S66 V199 F205 G222	S66-T201 PolarHBondContact OG-OG1 2.81Å; V199-T201 PolarHBondContact O-N 2.82Å; T201-F205 HydrophobicContact CG2-CD2 3.39Å; T201-F205 HydrophobicContact CG2-CE2 3.38Å; T201-G222 WeakPolarHBondContact O-CA 3.48Å
202	S	87.3	Confident	90.6	Very high	78 Å²	78	56.9 Å²	56.9	55%	0.545	28%	0.283	S	S	.	.			trans	-113.6	127.2	171	-179.1	0	0	0	0	109.4	L200 F205	L200-S202 PolarHBondContact O-N 2.78Å; S202-F205 VanDerWaalsContact O-CE2 3.29Å; S202-F205 WeakPolarHBondContact O-CE2 3.46Å
203	G	88.6	Confident	90.1	Very high	17 Å²	17	62.7 Å²	62.7	18%	0.175	31%	0.307	C	S	.	.	S	Bend	trans	94.9	-156.2	-174.3	0	0	0	0	0	114.3	G222 E227	G203-G222 PolarHBondContact O-N 2.94Å; G203-E227 PolarHBondContact N-OE2 3.38Å
204	I	89.3	Confident	89.7	Confident	55 Å²	55	64.1 Å²	64.1	28%	0.282	32%	0.316	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.6	125	-175	-56.5	165.9	0	0	0	107	F219 D220 V221 Q233 C234	I204-F219 HydrophobicContact CG2-CD1 4.41Å; I204-D220 WeakPolarHBondContact CA-O 3.4Å; I204-V221 HydrophobicContact CB-CG1 4.41Å; I204-V221 HydrophobicContact CG1-CG1 3.97Å; I204-V221 HydrophobicContact CG2-CG1 4.12Å; I204-Q233 HydrophobicContact CD1-CB 4.28Å; I204-C234 VanDerWaalsContact CD1-SG 3.51Å
205	F	90.5	Very high	89.6	Confident	109 Å²	109	66.1 Å²	66.1	48%	0.478	33%	0.326	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.8	133.4	176.3	-63.2	-94.1	0	0	0	109.8	T201 S202 F219 D220	T201-F205 HydrophobicContact CG2-CD2 3.39Å; T201-F205 HydrophobicContact CG2-CE2 3.38Å; S202-F205 VanDerWaalsContact O-CE2 3.29Å; S202-F205 WeakPolarHBondContact O-CE2 3.46Å; F205-F219 WeakPolarHBondContact O-CA 3.32Å; F205-D220 HydrophobicContact CB-CB 4.33Å; F205-D220 PolarHBondContact N-O 3.24Å; F205-D220 PolarHBondContact O-N 3.3Å
206	E	91.1	Very high	89.5	Confident	105 Å²	105	66.1 Å²	66.1	49%	0.491	33%	0.326	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.1	138.2	-179.5	-72.1	-179.1	-156.3	0	0	110.3	R208 H217 M218 F219	E206-R208 IonicContact OE2-NH2 3.41Å; E206-R208 PolarHBondContact OE2-NH2 3.41Å; E206-H217 IonicContact OE2-CE1 3.03Å; E206-H217 PolarHBondContact OE2-CE1 2.98Å; E206-H217 IonicContact OE2-NE2 2.99Å; E206-H217 PolarHBondContact OE2-NE2 3.26Å; E206-M218 CarbonylContact C-O 3.45Å; E206-M218 WeakPolarHBondContact CA-O 3.46Å; E206-F219 HydrophobicContact CG-CD1 3.66Å; E206-F219 HydrophobicContact CG-CE1 3.74Å
207	T	91.3	Very high	89.5	Confident	22 Å²	22	63.4 Å²	63.4	14%	0.135	32%	0.317	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.8	129	170.4	-62.5	0	0	0	0	109.1	V69 R73 F209 M218	V69-T207 HydrophobicContact CG1-CG2 4.42Å; V69-T207 VanDerWaalsContact CG1-OG1 3.26Å; V69-T207 WeakPolarHBondContact CG1-OG1 3.44Å; R73-T207 HydrophobicContact CG-CG2 3.99Å; T207-F209 HydrophobicContact CG2-CD1 4.36Å; T207-M218 PolarHBondContact N-O 2.85Å; T207-M218 PolarHBondContact O-N 3.24Å
208	R	92.4	Very high	89.4	Confident	170 Å²	170	63.2 Å²	63.2	64%	0.642	32%	0.316	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-114.7	134.8	177.9	-63.9	178.4	-169.3	-178.3	8.2	109.3	E206 F216 H217	E206-R208 IonicContact OE2-NH2 3.41Å; E206-R208 PolarHBondContact OE2-NH2 3.41Å; R208-F216 WeakPolarHBondContact CA-O 3.35Å; R208-H217 HydrophobicContact CG-CB 4.41Å; R208-H217 WeakPolarHBondContact CG-CD2 3.21Å; R208-H217 PolarHBondContact NE-CE1 3.14Å; R208-H217 PolarHBondContact NE-NE2 3.05Å; R208-H217 PolarHBondContact NH2-CE1 3.18Å
209	F	91.8	Very high	89.5	Confident	13 Å²	13	61.8 Å²	61.8	6%	0.057	31%	0.31	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-151.9	164	178.8	61.2	-83.1	0	0	0	110.1	M72 H76 V77 T207 V211 F216 M218 F373	M72-F209 HydrophobicContact CB-CD1 4.24Å; M72-F209 HydrophobicContact CB-CE1 3.95Å; M72-F209 HydrophobicContact CB-CZ 4.15Å; M72-F209 HydrophobicContact CG-CE1 4.09Å; M72-F209 HydrophobicContact CG-CZ 3.95Å; M72-F209 HydrophobicContact SD-CE2 4.15Å; M72-F209 HydrophobicContact SD-CZ 3.9Å; H76-F209 HydrophobicContact CB-CB 3.9Å; H76-F209 HydrophobicContact CB-CD2 3.8Å; H76-F209 HydrophobicContact CB-CG 4.16Å; H76-F209 AromaticContact CD2-CD2 3.76Å; H76-F209 AromaticContact CD2-CE2 3.87Å; H76-F209 AromaticContact CG-CD2 3.95Å; V77-F209 HydrophobicContact CG2-CB 3.53Å; T207-F209 HydrophobicContact CG2-CD1 4.36Å; F209-V211 HydrophobicContact CD2-CG2 3.66Å; F209-V211 HydrophobicContact CE2-CG2 3.76Å; F209-F216 HydrophobicContact CD1-CB 4.09Å; F209-F216 HydrophobicContact CD2-CB 4.01Å; F209-F216 HydrophobicContact CD2-CD2 4.29Å; F209-F216 HydrophobicContact CD2-CG 4.45Å; F209-F216 HydrophobicContact CE1-CB 3.65Å; F209-F216 HydrophobicContact CE2-CB 3.58Å; F209-F216 AromaticContact CE2-CD2 3.85Å; F209-F216 HydrophobicContact CE2-CD2 3.85Å; F209-F216 AromaticContact CE2-CG 3.79Å; F209-F216 HydrophobicContact CE2-CG 3.79Å; F209-F216 HydrophobicContact CG-CB 4.25Å; F209-F216 HydrophobicContact CZ-CB 3.39Å; F209-F216 HydrophobicContact CZ-CD2 4.41Å; F209-F216 AromaticContact CZ-CG 3.88Å; F209-F216 HydrophobicContact CZ-CG 3.88Å; F209-F216 PolarHBondContact N-O 3.26Å; F209-F216 VanDerWaalsContact N-O 3.09Å; F209-F216 PolarHBondContact O-N 3.1Å; F209-M218 HydrophobicContact CE1-CB 4.4Å; F209-M218 HydrophobicContact CE1-CG 3.97Å; F209-M218 HydrophobicContact CE1-SD 3.42Å; F209-M218 WeakPolarHBondContact CE1-SD 3.36Å; F209-M218 HydrophobicContact CZ-CG 4.46Å; F209-M218 HydrophobicContact CZ-SD 3.62Å; F209-F373 AromaticContact CE2-CE1 3.98Å; F209-F373 HydrophobicContact CE2-CE1 3.98Å; F209-F373 AromaticContact CE2-CZ 3.73Å; F209-F373 HydrophobicContact CE2-CZ 3.73Å; F209-F373 HydrophobicContact CZ-CE1 4.41Å; F209-F373 HydrophobicContact CZ-CE2 4.29Å; F209-F373 AromaticContact CZ-CZ 3.73Å; F209-F373 HydrophobicContact CZ-CZ 3.73Å
210	Q	89.6	Confident	89.7	Confident	112 Å²	112	59 Å²	59	52%	0.523	29%	0.293	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.1	133.1	179.9	-175.3	176.1	72.8	0	0	109.5	V214 N215	Q210-V214 WeakPolarHBondContact CA-O 3.33Å; Q210-N215 PolarHBondContact NE2-OD1 3.4Å
211	V	86.6	Confident	90	Very high	12 Å²	12	54.1 Å²	54.1	7%	0.073	27%	0.268	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.4	123.5	175.5	-169.9	0	0	0	0	107.9	H76 F209 K213 V214 F216 F373	H76-V211 HydrophobicContact CB-CG2 4.49Å; F209-V211 HydrophobicContact CD2-CG2 3.66Å; F209-V211 HydrophobicContact CE2-CG2 3.76Å; V211-K213 PolarHBondContact O-N 3.17Å; V211-K213 VanDerWaalsContact O-N 3.14Å; V211-V214 PolarHBondContact N-O 3.08Å; V211-V214 WeakPolarHBondContact O-CA 3.43Å; V211-V214 WeakPolarHBondContact O-CB 3.2Å; V211-V214 PolarHBondContact O-N 3.32Å; V211-F216 HydrophobicContact CB-CD2 4.43Å; V211-F216 HydrophobicContact CB-CE2 4.07Å; V211-F216 HydrophobicContact CG2-CD2 4.16Å; V211-F216 HydrophobicContact CG2-CE2 4.2Å; V211-F373 HydrophobicContact CG2-CE1 4.29Å
212	D	84.7	Confident	90.3	Very high	119 Å²	119	52.7 Å²	52.7	64%	0.636	26%	0.259	S	S	*	.	T	Hydrogen-bonded Turn	trans	47.8	43.5	-179.2	-62.7	-24.2	0	0	0	113.8	V214 R377	D212-V214 PolarHBondContact O-N 3.11Å; D212-R377 IonicContact OD2-CZ 3.85Å; D212-R377 IonicContact OD2-NH1 3.29Å; D212-R377 PolarHBondContact OD2-NH1 3.28Å
213	K	85.3	Confident	90.3	Very high	183 Å²	183	49.2 Å²	49.2	80%	0.796	24%	0.236	S	C	*	.	T	Hydrogen-bonded Turn	trans	68.1	3.4	-177.5	-50.9	173.2	-179.4	173.9	0	115.4	V211	V211-K213 PolarHBondContact O-N 3.17Å; V211-K213 VanDerWaalsContact O-N 3.14Å
214	V	87.6	Confident	90.3	Very high	35 Å²	35	51.4 Å²	51.4	21%	0.212	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.6	128.8	172.3	-178	0	0	0	0	109.3	H53 Q210 V211 D212 F216	H53-V214 WeakPolarHBondContact CD2-CG1 3.48Å; H53-V214 VanDerWaalsContact NE2-CG1 3.34Å; H53-V214 WeakPolarHBondContact NE2-CG1 3.32Å; Q210-V214 WeakPolarHBondContact CA-O 3.33Å; V211-V214 PolarHBondContact N-O 3.08Å; V211-V214 WeakPolarHBondContact O-CA 3.43Å; V211-V214 WeakPolarHBondContact O-CB 3.2Å; V211-V214 PolarHBondContact O-N 3.32Å; D212-V214 PolarHBondContact O-N 3.11Å; V214-F216 HydrophobicContact CB-CE2 3.94Å; V214-F216 HydrophobicContact CB-CZ 4.49Å; V214-F216 HydrophobicContact CG1-CD2 4.36Å; V214-F216 HydrophobicContact CG1-CE2 3.69Å; V214-F216 HydrophobicContact CG1-CZ 3.9Å; V214-F216 WeakPolarHBondContact O-CD2 3.29Å
215	N	91.6	Very high	90.4	Very high	43 Å²	43	52.8 Å²	52.8	23%	0.23	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.1	132.8	-179.2	-63	-33.8	0	0	0	110.3	T52 H53 Q210	T52-N215 CarbonylContact C-O 3.58Å; T52-N215 WeakPolarHBondContact CA-O 3.22Å; T52-N215 HydrophobicContact CG2-CB 4.15Å; H53-N215 PolarHBondContact N-O 3.47Å; Q210-N215 PolarHBondContact NE2-OD1 3.4Å
216	F	92.9	Very high	90.4	Very high	2 Å²	2	52.9 Å²	52.9	1%	0.009	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.6	140.5	175	-68.4	-90.9	0	0	0	110.2	H53 L55 R208 F209 V211 V214 F373 R377 I380	H53-F216 HydrophobicContact CB-CD1 3.87Å; H53-F216 HydrophobicContact CB-CE1 4.02Å; H53-F216 AromaticContact CD2-CE1 3.75Å; H53-F216 AromaticContact CD2-CZ 3.91Å; H53-F216 WeakPolarHBondContact O-CA 3.15Å; L55-F216 HydrophobicContact CD1-CD1 3.78Å; L55-F216 HydrophobicContact CD1-CE1 4.34Å; L55-F216 HydrophobicContact CG-CD1 4.41Å; R208-F216 WeakPolarHBondContact CA-O 3.35Å; F209-F216 HydrophobicContact CD1-CB 4.09Å; F209-F216 HydrophobicContact CD2-CB 4.01Å; F209-F216 HydrophobicContact CD2-CD2 4.29Å; F209-F216 HydrophobicContact CD2-CG 4.45Å; F209-F216 HydrophobicContact CE1-CB 3.65Å; F209-F216 HydrophobicContact CE2-CB 3.58Å; F209-F216 AromaticContact CE2-CD2 3.85Å; F209-F216 HydrophobicContact CE2-CD2 3.85Å; F209-F216 AromaticContact CE2-CG 3.79Å; F209-F216 HydrophobicContact CE2-CG 3.79Å; F209-F216 HydrophobicContact CG-CB 4.25Å; F209-F216 HydrophobicContact CZ-CB 3.39Å; F209-F216 HydrophobicContact CZ-CD2 4.41Å; F209-F216 AromaticContact CZ-CG 3.88Å; F209-F216 HydrophobicContact CZ-CG 3.88Å; F209-F216 PolarHBondContact N-O 3.26Å; F209-F216 VanDerWaalsContact N-O 3.09Å; F209-F216 PolarHBondContact O-N 3.1Å; V211-F216 HydrophobicContact CB-CD2 4.43Å; V211-F216 HydrophobicContact CB-CE2 4.07Å; V211-F216 HydrophobicContact CG2-CD2 4.16Å; V211-F216 HydrophobicContact CG2-CE2 4.2Å; V214-F216 HydrophobicContact CB-CE2 3.94Å; V214-F216 HydrophobicContact CB-CZ 4.49Å; V214-F216 HydrophobicContact CG1-CD2 4.36Å; V214-F216 HydrophobicContact CG1-CE2 3.69Å; V214-F216 HydrophobicContact CG1-CZ 3.9Å; V214-F216 WeakPolarHBondContact O-CD2 3.29Å; F216-F373 AromaticContact CD1-CZ 3.99Å; F216-F373 HydrophobicContact CD1-CZ 3.99Å; F216-F373 AromaticContact CE1-CZ 3.94Å; F216-F373 HydrophobicContact CE1-CZ 3.94Å; F216-F373 HydrophobicContact CE2-CZ 4.49Å; F216-F373 HydrophobicContact CG-CZ 4.27Å; F216-F373 HydrophobicContact CZ-CE1 4.42Å; F216-F373 HydrophobicContact CZ-CZ 4.2Å; F216-R377 HydrophobicContact CZ-CG 4.36Å; F216-I380 HydrophobicContact CE1-CD1 4.4Å; F216-I380 HydrophobicContact CE1-CG2 4.28Å
217	H	93.6	Very high	90.3	Very high	15 Å²	15	49 Å²	49	7%	0.069	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.2	105.2	175.2	-170.4	-169	0	0	0	109.4	T52 H53 R54 L55 E206 R208 F219	T52-H217 HydrophobicContact CG2-CB 3.66Å; H53-H217 PolarHBondContact O-N 2.96Å; R54-H217 CarbonylContact C-O 3.56Å; R54-H217 WeakPolarHBondContact CA-O 3.46Å; R54-H217 HydrophobicContact CG-CB 4.4Å; L55-H217 PolarHBondContact N-O 2.97Å; E206-H217 IonicContact OE2-CE1 3.03Å; E206-H217 PolarHBondContact OE2-CE1 2.98Å; E206-H217 IonicContact OE2-NE2 2.99Å; E206-H217 PolarHBondContact OE2-NE2 3.26Å; R208-H217 HydrophobicContact CG-CB 4.41Å; R208-H217 WeakPolarHBondContact CG-CD2 3.21Å; R208-H217 PolarHBondContact NE-CE1 3.14Å; R208-H217 PolarHBondContact NE-NE2 3.05Å; R208-H217 PolarHBondContact NH2-CE1 3.18Å; H217-F219 AromaticContact CE1-CE1 3.65Å; H217-F219 AromaticContact CE1-CZ 3.37Å; H217-F219 WeakPolarHBondContact CE1-CZ 3.43Å; H217-F219 AromaticContact CG-CZ 3.95Å; H217-F219 AromaticContact ND1-CE2 3.96Å; H217-F219 AromaticContact ND1-CZ 3.42Å; H217-F219 WeakPolarHBondContact ND1-CZ 3.43Å; H217-F219 AromaticContact NE2-CE1 3.95Å; H217-F219 AromaticContact NE2-CZ 3.93Å
218	M	93.4	Very high	90.3	Very high	0 Å²	0	50.3 Å²	50.3	0%	0	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.5	135.6	-178	-84.7	171.5	66.3	0	0	111.7	L55 L57 I68 V69 M72 E206 T207 F209	L55-M218 HydrophobicContact CB-CG 3.72Å; L55-M218 HydrophobicContact CD1-CG 4.02Å; L55-M218 HydrophobicContact CD1-SD 4.32Å; L55-M218 HydrophobicContact CG-CG 4.4Å; L55-M218 WeakPolarHBondContact O-CA 3.45Å; L57-M218 HydrophobicContact CD1-CB 3.98Å; L57-M218 HydrophobicContact CD1-CE 3.43Å; L57-M218 VanDerWaalsContact CD1-CE 3.43Å; L57-M218 HydrophobicContact CD1-CG 3.97Å; L57-M218 HydrophobicContact CD1-SD 4.49Å; L57-M218 HydrophobicContact CD2-CE 3.85Å; L57-M218 HydrophobicContact CG-CE 4.16Å; I68-M218 HydrophobicContact CG2-CE 3.95Å; V69-M218 HydrophobicContact CG2-CE 4.04Å; M72-M218 HydrophobicContact CB-SD 4.43Å; M72-M218 HydrophobicContact CG-CE 3.77Å; M72-M218 HydrophobicContact CG-SD 3.61Å; M72-M218 HydrophobicContact SD-SD 4.48Å; E206-M218 CarbonylContact C-O 3.45Å; E206-M218 WeakPolarHBondContact CA-O 3.46Å; T207-M218 PolarHBondContact N-O 2.85Å; T207-M218 PolarHBondContact O-N 3.24Å; F209-M218 HydrophobicContact CE1-CB 4.4Å; F209-M218 HydrophobicContact CE1-CG 3.97Å; F209-M218 HydrophobicContact CE1-SD 3.42Å; F209-M218 WeakPolarHBondContact CE1-SD 3.36Å; F209-M218 HydrophobicContact CZ-CG 4.46Å; F209-M218 HydrophobicContact CZ-SD 3.62Å
219	F	93.4	Very high	90.1	Very high	7 Å²	7	51.6 Å²	51.6	3%	0.031	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.7	113.4	175.8	-56.8	-91.2	0	0	0	109.4	R54 L55 L56 L57 I204 F205 E206 H217	R54-F219 HydrophobicContact CB-CE2 4.13Å; R54-F219 HydrophobicContact CG-CE2 4.35Å; L55-F219 WeakPolarHBondContact O-CD2 3.42Å; L55-F219 PolarHBondContact O-N 3.36Å; L56-F219 HydrophobicContact CD1-CB 3.78Å; L57-F219 WeakPolarHBondContact CB-O 3.38Å; L57-F219 WeakPolarHBondContact CD1-O 3.35Å; L57-F219 PolarHBondContact N-O 3.38Å; I204-F219 HydrophobicContact CG2-CD1 4.41Å; F205-F219 WeakPolarHBondContact O-CA 3.32Å; E206-F219 HydrophobicContact CG-CD1 3.66Å; E206-F219 HydrophobicContact CG-CE1 3.74Å; H217-F219 AromaticContact CE1-CE1 3.65Å; H217-F219 AromaticContact CE1-CZ 3.37Å; H217-F219 WeakPolarHBondContact CE1-CZ 3.43Å; H217-F219 AromaticContact CG-CZ 3.95Å; H217-F219 AromaticContact ND1-CE2 3.96Å; H217-F219 AromaticContact ND1-CZ 3.42Å; H217-F219 WeakPolarHBondContact ND1-CZ 3.43Å; H217-F219 AromaticContact NE2-CE1 3.95Å; H217-F219 AromaticContact NE2-CZ 3.93Å
220	D	93	Very high	89.9	Confident	7 Å²	7	54.1 Å²	54.1	4%	0.037	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.8	113.3	170.9	-173.7	23.9	0	0	0	109.4	K65 S66 V69 I204 F205	K65-D220 VanDerWaalsContact CB-OD1 3.28Å; K65-D220 WeakPolarHBondContact CB-OD1 3.4Å; S66-D220 VanDerWaalsContact CA-OD2 3.25Å; S66-D220 WeakPolarHBondContact CA-OD2 3.35Å; S66-D220 VanDerWaalsContact CB-OD2 3.23Å; S66-D220 WeakPolarHBondContact CB-OD2 3.44Å; S66-D220 PolarHBondContact OG-OD2 3.48Å; V69-D220 HydrophobicContact CG2-CB 3.71Å; I204-D220 WeakPolarHBondContact CA-O 3.4Å; F205-D220 HydrophobicContact CB-CB 4.33Å; F205-D220 PolarHBondContact N-O 3.24Å; F205-D220 PolarHBondContact O-N 3.3Å
221	V	91.6	Very high	89.9	Confident	1 Å²	1	49.2 Å²	49.2	1%	0.006	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.9	143.4	-179.6	-60.7	0	0	0	0	111	L56 L57 L58 K65 I204 G223 W231	L56-V221 HydrophobicContact CD1-CG1 4.07Å; L56-V221 HydrophobicContact CD1-CG2 4.43Å; L57-V221 VanDerWaalsContact O-CG2 3.29Å; L57-V221 WeakPolarHBondContact O-CG2 3.21Å; L58-V221 HydrophobicContact CD2-CG2 3.61Å; K65-V221 WeakPolarHBondContact CE-O 3.38Å; I204-V221 HydrophobicContact CB-CG1 4.41Å; I204-V221 HydrophobicContact CG1-CG1 3.97Å; I204-V221 HydrophobicContact CG2-CG1 4.12Å; V221-G223 PolarHBondContact O-N 3.2Å; V221-W231 VanDerWaalsContact CG2-CD1 3.47Å; V221-W231 HydrophobicContact CG2-CD2 4.3Å; V221-W231 HydrophobicContact CG2-CG 4.07Å; V221-W231 VanDerWaalsContact CG2-NE1 3.34Å
222	G	91	Very high	89.7	Confident	1 Å²	1	52 Å²	52	1%	0.01	24%	0.239	C	C	.	.			trans	-50.6	128.3	173.8	0	0	0	0	0	112	T201 G203 E227 W231	T201-G222 WeakPolarHBondContact O-CA 3.48Å; G203-G222 PolarHBondContact O-N 2.94Å; G222-E227 WeakPolarHBondContact O-CB 3.2Å; G222-W231 PolarHBondContact O-NE1 2.86Å
223	G	87.8	Confident	89.6	Confident	6 Å²	6	52.6 Å²	52.6	6%	0.062	24%	0.238	C	C	.	.			trans	-89.2	-16.1	-173.8	0	0	0	0	0	115.7	G59 G61 V221 R228	G59-G223 VanDerWaalsContact O-CA 3.29Å; G59-G223 WeakPolarHBondContact O-CA 3.21Å; G61-G223 PolarHBondContact N-O 2.89Å; V221-G223 PolarHBondContact O-N 3.2Å; G223-R228 PolarHBondContact O-NE 2.88Å
224	Q	88.8	Confident	89.6	Confident	63 Å²	63	44.1 Å²	44.1	29%	0.294	20%	0.202	S	C	.	.	S	Bend	trans	-68.7	152.7	-177.1	-68.3	178.6	-14.1	0	0	110.8	D226 E227 R228 E256	Q224-D226 PolarHBondContact O-N 2.84Å; Q224-D226 VanDerWaalsContact O-N 3.14Å; Q224-E227 PolarHBondContact O-N 2.61Å; Q224-R228 WeakPolarHBondContact O-CG 3.5Å; Q224-R228 PolarHBondContact O-N 3.39Å; Q224-E256 WeakPolarHBondContact CA-OE1 3.36Å
225	R	91.3	Very high	89.4	Confident	84 Å²	84	43.6 Å²	43.6	32%	0.317	20%	0.197	S	C	.	.	G	3₁₀ helix	trans	-50.3	-41.9	-174.2	-75.1	-177.3	170.3	167.9	-0.2	113.6	E227 R228 E256 D257 T260 E265	R225-E227 VanDerWaalsContact C-N 3.3Å; R225-E227 PolarHBondContact O-N 2.99Å; R225-R228 PolarHBondContact O-N 3.33Å; R225-E256 HydrophobicContact CB-CG 4.28Å; R225-E256 HydrophobicContact CG-CG 4.29Å; R225-E256 PolarHBondContact N-OE1 2.99Å; R225-D257 IonicContact CZ-OD2 3.14Å; R225-D257 IonicContact NH1-OD2 3.84Å; R225-D257 PolarHBondContact NH1-OD2 3.12Å; R225-D257 IonicContact NH2-OD2 3.18Å; R225-D257 PolarHBondContact NH2-OD2 3.2Å; R225-T260 PolarHBondContact NH2-OG1 3.4Å; R225-E265 IonicContact CZ-OE1 2.76Å; R225-E265 IonicContact CZ-OE2 3.05Å; R225-E265 IonicContact NE-OE1 2.8Å; R225-E265 PolarHBondContact NE-OE1 2.77Å; R225-E265 VanDerWaalsContact NE-OE1 3.14Å; R225-E265 IonicContact NE-OE2 2.65Å; R225-E265 IonicContact NH2-OE1 2.75Å; R225-E265 IonicContact NH2-OE2 2.68Å; R225-E265 PolarHBondContact NH2-OE2 2.84Å
226	D	88.8	Confident	88.9	Confident	111 Å²	111	47 Å²	47	59%	0.594	22%	0.215	S	C	*	.	G	3₁₀ helix	trans	-69.8	-25.6	-178.5	-69.2	-36.3	0	0	0	114.3	Q224	Q224-D226 PolarHBondContact O-N 2.84Å; Q224-D226 VanDerWaalsContact O-N 3.14Å
227	E	90.8	Very high	88.2	Confident	22 Å²	22	50.9 Å²	50.9	10%	0.103	24%	0.236	C	C	.	.	G	3₁₀ helix	trans	-82.3	-19.7	-179.5	-66.1	-63	111.4	0	0	112.6	G203 G222 Q224 R225 R229 K230	G203-E227 PolarHBondContact N-OE2 3.38Å; G222-E227 WeakPolarHBondContact O-CB 3.2Å; Q224-E227 PolarHBondContact O-N 2.61Å; R225-E227 VanDerWaalsContact C-N 3.3Å; R225-E227 PolarHBondContact O-N 2.99Å; E227-R229 PolarHBondContact O-N 3.15Å; E227-R229 VanDerWaalsContact O-N 3.16Å; E227-K230 WeakPolarHBondContact O-CB 3.37Å; E227-K230 PolarHBondContact O-N 3.27Å; E227-K230 IonicContact OE1-NZ 3.86Å; E227-K230 PolarHBondContact OE1-NZ 2.92Å; E227-K230 IonicContact OE2-NZ 2.81Å; E227-K230 PolarHBondContact OE2-NZ 3.37Å
228	R	90.5	Very high	88	Confident	50 Å²	50	50.2 Å²	50.2	19%	0.189	23%	0.233	C	C	.	.	G	3₁₀ helix	trans	-64.1	-26	-172.4	-54.9	-172.3	-172.4	159.7	3.6	114.1	G223 Q224 R225 K230 W231 E265	G223-R228 PolarHBondContact O-NE 2.88Å; Q224-R228 WeakPolarHBondContact O-CG 3.5Å; Q224-R228 PolarHBondContact O-N 3.39Å; R225-R228 PolarHBondContact O-N 3.33Å; R228-K230 PolarHBondContact O-N 3.42Å; R228-W231 HydrophobicContact CB-CD2 4.17Å; R228-W231 HydrophobicContact CB-CE3 4.49Å; R228-W231 HydrophobicContact CB-CZ2 4.31Å; R228-W231 HydrophobicContact CG-CD2 4.43Å; R228-W231 HydrophobicContact CG-CH2 4.01Å; R228-W231 HydrophobicContact CG-CZ2 3.67Å; R228-W231 WeakPolarHBondContact O-CB 3.34Å; R228-W231 VanDerWaalsContact O-CG 3.32Å; R228-W231 PolarHBondContact O-N 3.34Å; R228-W231 VanDerWaalsContact O-N 3.15Å; R228-E265 IonicContact CZ-OE1 2.75Å; R228-E265 IonicContact NH1-OE1 3.41Å; R228-E265 PolarHBondContact NH1-OE1 3.06Å; R228-E265 IonicContact NH2-OE1 3.69Å; R228-E265 PolarHBondContact NH2-OE1 3.41Å
229	R	87.3	Confident	87.9	Confident	197 Å²	197	50.5 Å²	50.5	74%	0.743	24%	0.235	S	C	*	.	G	3₁₀ helix	trans	-61.9	-25.2	175	-74.6	-177.2	-90.5	-174	-8.1	112.5	E227	E227-R229 PolarHBondContact O-N 3.15Å; E227-R229 VanDerWaalsContact O-N 3.16Å
230	K	88	Confident	87.9	Confident	67 Å²	67	50.2 Å²	50.2	29%	0.291	23%	0.233	S	C	.	.	G	3₁₀ helix	trans	-79.1	-18.7	179	-56.7	175	-169.2	165.1	0	112.5	E227 R228 I232 Q233	E227-K230 WeakPolarHBondContact O-CB 3.37Å; E227-K230 PolarHBondContact O-N 3.27Å; E227-K230 IonicContact OE1-NZ 3.86Å; E227-K230 PolarHBondContact OE1-NZ 2.92Å; E227-K230 IonicContact OE2-NZ 2.81Å; E227-K230 PolarHBondContact OE2-NZ 3.37Å; R228-K230 PolarHBondContact O-N 3.42Å; K230-I232 VanDerWaalsContact C-N 3.26Å; K230-I232 PolarHBondContact O-N 2.94Å; K230-Q233 VanDerWaalsContact O-CB 3.23Å; K230-Q233 WeakPolarHBondContact O-CB 3.44Å; K230-Q233 VanDerWaalsContact O-CG 3.32Å; K230-Q233 WeakPolarHBondContact O-CG 3.49Å; K230-Q233 PolarHBondContact O-N 3.06Å
231	W	89.2	Confident	88	Confident	8 Å²	8	49.9 Å²	49.9	3%	0.03	23%	0.232	C	C	.	.	G	3₁₀ helix	trans	-60	-34.3	-173.7	-65.2	2.1	0	0	0	113.6	L58 V221 G222 R228 Q233 C234 F235 L269 I273	L58-W231 HydrophobicContact CB-CZ3 4.4Å; L58-W231 HydrophobicContact CD1-CE3 4.32Å; L58-W231 HydrophobicContact CD1-CZ3 4.43Å; L58-W231 HydrophobicContact CD2-CD2 3.71Å; L58-W231 HydrophobicContact CD2-CE3 3.68Å; L58-W231 HydrophobicContact CD2-CG 4.14Å; L58-W231 HydrophobicContact CD2-CH2 4.42Å; L58-W231 HydrophobicContact CD2-CZ2 4.46Å; L58-W231 HydrophobicContact CD2-CZ3 4.04Å; L58-W231 HydrophobicContact CG-CE3 4.49Å; V221-W231 VanDerWaalsContact CG2-CD1 3.47Å; V221-W231 HydrophobicContact CG2-CD2 4.3Å; V221-W231 HydrophobicContact CG2-CG 4.07Å; V221-W231 VanDerWaalsContact CG2-NE1 3.34Å; G222-W231 PolarHBondContact O-NE1 2.86Å; R228-W231 HydrophobicContact CB-CD2 4.17Å; R228-W231 HydrophobicContact CB-CE3 4.49Å; R228-W231 HydrophobicContact CB-CZ2 4.31Å; R228-W231 HydrophobicContact CG-CD2 4.43Å; R228-W231 HydrophobicContact CG-CH2 4.01Å; R228-W231 HydrophobicContact CG-CZ2 3.67Å; R228-W231 WeakPolarHBondContact O-CB 3.34Å; R228-W231 VanDerWaalsContact O-CG 3.32Å; R228-W231 PolarHBondContact O-N 3.34Å; R228-W231 VanDerWaalsContact O-N 3.15Å; W231-Q233 PolarHBondContact O-N 3.25Å; W231-Q233 VanDerWaalsContact O-N 3.1Å; W231-C234 WeakPolarHBondContact O-CB 3.42Å; W231-C234 PolarHBondContact O-N 3.44Å; W231-F235 HydrophobicContact CB-CE1 3.88Å; W231-F235 HydrophobicContact CB-CZ 4.12Å; W231-F235 WeakPolarHBondContact O-CD1 3.41Å; W231-F235 VanDerWaalsContact O-CE1 3.27Å; W231-F235 WeakPolarHBondContact O-CE1 3.21Å; W231-L269 HydrophobicContact CH2-CD1 3.74Å; W231-L269 HydrophobicContact CH2-CD2 3.7Å; W231-L269 HydrophobicContact CH2-CG 4.15Å; W231-L269 HydrophobicContact CZ3-CD1 3.64Å; W231-L269 HydrophobicContact CZ3-CD2 4.3Å; W231-L269 HydrophobicContact CZ3-CG 4.26Å; W231-I273 HydrophobicContact CE3-CD1 4.07Å; W231-I273 HydrophobicContact CZ3-CD1 4Å; W231-I273 HydrophobicContact CZ3-CG1 4.37Å
232	I	83.3	Confident	88.3	Confident	70 Å²	70	49.9 Å²	49.9	36%	0.359	23%	0.232	S	C	.	.	G	3₁₀ helix	trans	-57.3	-26.8	178	-167.2	59.8	0	0	0	112.4	K230 C234 F235 W278	K230-I232 VanDerWaalsContact C-N 3.26Å; K230-I232 PolarHBondContact O-N 2.94Å; I232-C234 PolarHBondContact O-N 3.14Å; I232-F235 HydrophobicContact CD1-CB 4.46Å; I232-F235 HydrophobicContact CD1-CD2 3.47Å; I232-F235 VanDerWaalsContact CD1-CD2 3.47Å; I232-F235 HydrophobicContact CD1-CE2 3.97Å; I232-F235 HydrophobicContact CD1-CG 4.2Å; I232-F235 PolarHBondContact O-N 3.39Å; I232-W278 HydrophobicContact CD1-CD2 3.66Å; I232-W278 HydrophobicContact CD1-CE3 3.66Å; I232-W278 HydrophobicContact CD1-CG 4.06Å; I232-W278 HydrophobicContact CD1-CH2 4.43Å; I232-W278 HydrophobicContact CD1-CZ2 4.34Å; I232-W278 HydrophobicContact CD1-CZ3 4.11Å
233	Q	83.6	Confident	88.6	Confident	132 Å²	132	49.8 Å²	49.8	62%	0.617	23%	0.231	S	C	*	.	G	3₁₀ helix	trans	-67.2	-22	177.8	-57.2	175.1	4.9	0	0	112	I204 K230 W231	I204-Q233 HydrophobicContact CD1-CB 4.28Å; K230-Q233 VanDerWaalsContact O-CB 3.23Å; K230-Q233 WeakPolarHBondContact O-CB 3.44Å; K230-Q233 VanDerWaalsContact O-CG 3.32Å; K230-Q233 WeakPolarHBondContact O-CG 3.49Å; K230-Q233 PolarHBondContact O-N 3.06Å; W231-Q233 PolarHBondContact O-N 3.25Å; W231-Q233 VanDerWaalsContact O-N 3.1Å
234	C	84.5	Confident	89.1	Confident	6 Å²	6	49.5 Å²	49.5	4%	0.041	23%	0.228	C	C	.	.	G	3₁₀ helix	trans	-98.3	-5.1	-178.9	-55	0	0	0	0	113.8	L56 I204 W231 I232 N236 V238	L56-C234 HydrophobicContact CD1-CB 3.64Å; L56-C234 HydrophobicContact CD2-CB 4.24Å; I204-C234 VanDerWaalsContact CD1-SG 3.51Å; W231-C234 WeakPolarHBondContact O-CB 3.42Å; W231-C234 PolarHBondContact O-N 3.44Å; I232-C234 PolarHBondContact O-N 3.14Å; C234-N236 VanDerWaalsContact C-N 3.25Å; C234-N236 PolarHBondContact O-N 3.37Å; C234-V238 WeakPolarHBondContact O-CG2 3.29Å
235	F	84	Confident	89.6	Confident	23 Å²	23	46.6 Å²	46.6	10%	0.101	21%	0.214	C	C	.	.			trans	-75.7	-10.5	-171.6	-72.3	5.9	0	0	0	114	L56 L58 W231 I232 D237 I273 W278 L279	L56-F235 HydrophobicContact CD2-CD1 3.49Å; L56-F235 VanDerWaalsContact CD2-CD1 3.49Å; L56-F235 HydrophobicContact CD2-CE1 3.6Å; L58-F235 HydrophobicContact CD1-CE1 4.39Å; W231-F235 HydrophobicContact CB-CE1 3.88Å; W231-F235 HydrophobicContact CB-CZ 4.12Å; W231-F235 WeakPolarHBondContact O-CD1 3.41Å; W231-F235 VanDerWaalsContact O-CE1 3.27Å; W231-F235 WeakPolarHBondContact O-CE1 3.21Å; I232-F235 HydrophobicContact CD1-CB 4.46Å; I232-F235 HydrophobicContact CD1-CD2 3.47Å; I232-F235 VanDerWaalsContact CD1-CD2 3.47Å; I232-F235 HydrophobicContact CD1-CE2 3.97Å; I232-F235 HydrophobicContact CD1-CG 4.2Å; I232-F235 PolarHBondContact O-N 3.39Å; F235-D237 PolarHBondContact O-N 3.44Å; F235-I273 HydrophobicContact CZ-CD1 4.33Å; F235-W278 HydrophobicContact CD2-CB 4.06Å; F235-L279 HydrophobicContact CB-CD2 4.25Å; F235-L279 HydrophobicContact CD1-CD2 4.28Å; F235-L279 HydrophobicContact CD2-CD1 4.2Å; F235-L279 HydrophobicContact CD2-CD2 3.84Å; F235-L279 HydrophobicContact CD2-CG 4.01Å; F235-L279 HydrophobicContact CE1-CD1 4.3Å; F235-L279 HydrophobicContact CE2-CD1 3.73Å; F235-L279 HydrophobicContact CE2-CD2 4.24Å; F235-L279 HydrophobicContact CE2-CG 4Å; F235-L279 HydrophobicContact CG-CD2 3.88Å; F235-L279 HydrophobicContact CZ-CD1 3.79Å; F235-L279 HydrophobicContact CZ-CG 4.48Å
236	N	79.2	Confident	89.9	Confident	115 Å²	115	43.3 Å²	43.3	62%	0.615	21%	0.205	S	C	*	.	T	Hydrogen-bonded Turn	trans	-72.4	126.9	-179.5	-67.6	-21.9	0	0	0	111.5	R54 C234 V238	R54-N236 VanDerWaalsContact CZ-O 3.24Å; R54-N236 PolarHBondContact NH2-O 2.98Å; C234-N236 VanDerWaalsContact C-N 3.25Å; C234-N236 PolarHBondContact O-N 3.37Å; N236-V238 PolarHBondContact O-N 2.89Å
237	D	78.9	Confident	90.3	Very high	83 Å²	83	38 Å²	38	44%	0.444	18%	0.177	S	C	.	.	T	Hydrogen-bonded Turn	trans	52.4	34.1	175.7	-61.7	-22.4	0	0	0	114.8	Y49 R54 F235	Y49-D237 WeakPolarHBondContact OH-CB 3.33Å; Y49-D237 PolarHBondContact OH-OD2 3.4Å; R54-D237 WeakPolarHBondContact CB-O 3.4Å; R54-D237 VanDerWaalsContact CD-O 3.27Å; R54-D237 WeakPolarHBondContact CD-O 3.46Å; F235-D237 PolarHBondContact O-N 3.44Å
238	V	90.4	Very high	90.7	Very high	1 Å²	1	37 Å²	37	1%	0.006	17%	0.173	C	C	.	.			trans	-70.2	131.4	172	178	0	0	0	0	109.3	L56 C234 N236 A240 I241 I282	L56-V238 HydrophobicContact CB-CG1 3.88Å; L56-V238 HydrophobicContact CB-CG2 4.13Å; L56-V238 HydrophobicContact CD2-CG2 4.35Å; C234-V238 WeakPolarHBondContact O-CG2 3.29Å; N236-V238 PolarHBondContact O-N 2.89Å; V238-A240 WeakPolarHBondContact CG1-O 3.18Å; V238-I241 HydrophobicContact CG1-CG1 4.34Å; V238-I282 HydrophobicContact CG1-CG2 4.3Å; V238-I282 WeakPolarHBondContact O-CD1 3.29Å
239	T	91.4	Very high	91	Very high	7 Å²	7	34.7 Å²	34.7	4%	0.043	16%	0.164	C	C	.	.	S	Bend	trans	-77.7	-45	175.2	-54.5	0	0	0	0	111	R54 I380 M383 H384	R54-T239 PolarHBondContact N-OG1 3.09Å; R54-T239 VanDerWaalsContact N-OG1 3.11Å; R54-T239 WeakPolarHBondContact O-CB 3.29Å; R54-T239 PolarHBondContact O-N 3.13Å; T239-I380 HydrophobicContact CG2-CG2 4.04Å; T239-M383 HydrophobicContact CG2-CB 4.46Å; T239-H384 HydrophobicContact CG2-CB 3.74Å
240	A	92.4	Very high	91.5	Very high	0 Å²	0	25.4 Å²	25.4	0%	0	13%	0.129	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-152.8	154.5	177.5	0	0	0	0	0	111.3	R54 L55 L56 V238 I285 I380 M383	R54-A240 PolarHBondContact O-N 3.3Å; L55-A240 WeakPolarHBondContact CA-O 3.42Å; L55-A240 HydrophobicContact CD2-CB 3.97Å; L56-A240 PolarHBondContact N-O 3.01Å; V238-A240 WeakPolarHBondContact CG1-O 3.18Å; A240-I285 HydrophobicContact CB-CD1 4.37Å; A240-I380 HydrophobicContact CB-CG1 4.45Å; A240-M383 HydrophobicContact CB-SD 3.84Å
241	I	95.2	Very high	92	Very high	0 Å²	0	22.6 Å²	22.6	0%	0	12%	0.117	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.7	133.9	171.5	-65.9	169.4	0	0	0	108.5	L56 L58 V238 F243 I273 L279 I282 S283 V284 I285	L56-I241 HydrophobicContact CB-CG1 4.5Å; L56-I241 WeakPolarHBondContact O-CA 3.34Å; L58-I241 HydrophobicContact CB-CG2 4.23Å; L58-I241 HydrophobicContact CD1-CD1 4.26Å; L58-I241 HydrophobicContact CD1-CG2 3.89Å; L58-I241 HydrophobicContact CG-CG2 4.04Å; V238-I241 HydrophobicContact CG1-CG1 4.34Å; I241-F243 HydrophobicContact CG2-CB 4.43Å; I241-I273 HydrophobicContact CD1-CG2 4.04Å; I241-L279 HydrophobicContact CD1-CB 4.44Å; I241-L279 HydrophobicContact CD1-CD1 3.62Å; I241-L279 HydrophobicContact CD1-CD2 3.98Å; I241-L279 HydrophobicContact CD1-CG 4.22Å; I241-I282 HydrophobicContact CD1-CG2 4.08Å; I241-I282 HydrophobicContact CG1-CG2 3.88Å; I241-S283 PolarHBondContact N-O 3.28Å; I241-S283 VanDerWaalsContact N-O 3.12Å; I241-V284 HydrophobicContact CB-CG1 4.44Å; I241-V284 HydrophobicContact CB-CG2 4.31Å; I241-V284 HydrophobicContact CG2-CG1 4.22Å; I241-V284 CarbonylContact O-C 3.57Å; I241-V284 WeakPolarHBondContact O-CA 3.36Å; I241-I285 PolarHBondContact O-N 3.05Å
242	I	97.1	Very high	92.4	Very high	1 Å²	1	22.9 Å²	22.9	1%	0.005	12%	0.119	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.7	106.4	164.9	-61.3	174.1	0	0	0	107	L55 L56 L57 L58 V244 I285 F287	L55-I242 HydrophobicContact CB-CD1 4.49Å; L55-I242 HydrophobicContact CD1-CD1 4.15Å; L56-I242 PolarHBondContact O-N 3.47Å; L57-I242 CarbonylContact C-O 3.53Å; L57-I242 WeakPolarHBondContact CA-O 3.45Å; L57-I242 HydrophobicContact CG-CB 4.4Å; L58-I242 PolarHBondContact N-O 3.3Å; I242-V244 HydrophobicContact CG2-CG2 4.11Å; I242-I285 CarbonylContact C-O 3.43Å; I242-I285 WeakPolarHBondContact CA-O 3.23Å; I242-I285 HydrophobicContact CG1-CB 4.31Å; I242-I285 HydrophobicContact CG1-CD1 4.48Å; I242-F287 HydrophobicContact CG2-CD1 4.29Å; I242-F287 HydrophobicContact CG2-CD2 3.57Å; I242-F287 HydrophobicContact CG2-CE1 4.4Å; I242-F287 HydrophobicContact CG2-CE2 3.68Å; I242-F287 HydrophobicContact CG2-CG 3.89Å; I242-F287 HydrophobicContact CG2-CZ 4.1Å
243	F	98	Very high	93	Very high	0 Å²	0	21.5 Å²	21.5	0%	0	11%	0.114	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.8	117	178.1	-166.3	-85.4	0	0	0	110	L58 I241 V245 L269 F270 I273 V284 I285 L286 F287 F342	L58-F243 HydrophobicContact CB-CD2 3.87Å; L58-F243 HydrophobicContact CB-CE2 4.34Å; L58-F243 CarbonylContact O-C 3.6Å; L58-F243 WeakPolarHBondContact O-CA 3.34Å; I241-F243 HydrophobicContact CG2-CB 4.43Å; F243-V245 HydrophobicContact CD1-CG2 3.77Å; F243-V245 HydrophobicContact CE1-CG2 3.77Å; F243-L269 HydrophobicContact CE2-CD2 4.07Å; F243-L269 HydrophobicContact CE2-CG 3.93Å; F243-L269 HydrophobicContact CZ-CB 4.13Å; F243-L269 HydrophobicContact CZ-CD2 3.88Å; F243-L269 HydrophobicContact CZ-CG 3.89Å; F243-F270 HydrophobicContact CB-CD2 4.32Å; F243-F270 HydrophobicContact CD1-CB 4.42Å; F243-F270 AromaticContact CD1-CD2 3.74Å; F243-F270 HydrophobicContact CD1-CD2 3.74Å; F243-F270 HydrophobicContact CD2-CD2 4.13Å; F243-F270 HydrophobicContact CE1-CB 3.82Å; F243-F270 HydrophobicContact CE1-CD2 4.02Å; F243-F270 HydrophobicContact CE1-CG 4.4Å; F243-F270 HydrophobicContact CE2-CB 4.25Å; F243-F270 HydrophobicContact CE2-CD2 4.39Å; F243-F270 AromaticContact CG-CD2 3.8Å; F243-F270 HydrophobicContact CG-CD2 3.8Å; F243-F270 HydrophobicContact CG-CE2 4.48Å; F243-F270 HydrophobicContact CZ-CB 3.72Å; F243-F270 HydrophobicContact CZ-CD2 4.34Å; F243-I273 HydrophobicContact CE2-CG1 4.21Å; F243-V284 HydrophobicContact CB-CG1 3.62Å; F243-I285 PolarHBondContact N-O 3.36Å; F243-L286 HydrophobicContact CB-CD1 4.32Å; F243-L286 HydrophobicContact CD1-CD1 3.8Å; F243-L286 HydrophobicContact CG-CD1 4.5Å; F243-F287 PolarHBondContact O-N 3.38Å; F243-F342 HydrophobicContact CE1-CE1 4.19Å
244	V	98.4	Very high	93.6	Very high	0 Å²	0	15.6 Å²	15.6	0%	0	9%	0.087	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.1	129.6	-174.4	-166.8	0	0	0	0	110.7	L58 S63 K65 I242 F287 N289	L58-V244 PolarHBondContact O-N 3.07Å; S63-V244 WeakPolarHBondContact CB-O 3.49Å; S63-V244 VanDerWaalsContact O-CG1 3.29Å; S63-V244 WeakPolarHBondContact O-CG1 3.26Å; K65-V244 HydrophobicContact CG-CB 4.1Å; K65-V244 HydrophobicContact CG-CG2 3.96Å; I242-V244 HydrophobicContact CG2-CG2 4.11Å; V244-F287 HydrophobicContact CG1-CB 4.36Å; V244-F287 HydrophobicContact CG2-CB 4.37Å; V244-N289 HydrophobicContact CG1-CB 3.79Å
245	V	98.6	Very high	93.9	Very high	1 Å²	1	18.5 Å²	18.5	1%	0.006	10%	0.097	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.4	130.6	-178.5	-178.9	0	0	0	0	109.9	F243 S247 L263 A266 L286 F287 L288 N289 F342	F243-V245 HydrophobicContact CD1-CG2 3.77Å; F243-V245 HydrophobicContact CE1-CG2 3.77Å; V245-S247 PolarHBondContact O-N 3.43Å; V245-L263 HydrophobicContact CG1-CD1 3.87Å; V245-A266 HydrophobicContact CG1-CB 4.26Å; V245-L286 HydrophobicContact CG2-CD1 3.68Å; V245-F287 PolarHBondContact N-O 3.27Å; V245-L288 HydrophobicContact CB-CD2 4.27Å; V245-L288 HydrophobicContact CG2-CD2 4.44Å; V245-N289 VanDerWaalsContact O-CA 3.32Å; V245-N289 WeakPolarHBondContact O-CA 3.34Å; V245-N289 VanDerWaalsContact O-CB 3.23Å; V245-N289 WeakPolarHBondContact O-CB 3.43Å; V245-N289 PolarHBondContact O-N 3.15Å; V245-F342 HydrophobicContact CB-CE2 4.44Å; V245-F342 HydrophobicContact CB-CZ 4.21Å; V245-F342 HydrophobicContact CG1-CE2 3.78Å; V245-F342 HydrophobicContact CG1-CZ 3.64Å; V245-F342 HydrophobicContact CG2-CD1 4.47Å; V245-F342 HydrophobicContact CG2-CE1 3.73Å; V245-F342 HydrophobicContact CG2-CE2 3.96Å; V245-F342 HydrophobicContact CG2-CZ 3.46Å; V245-F342 VanDerWaalsContact CG2-CZ 3.46Å
246	A	98.1	Very high	94.3	Very high	15 Å²	15	21 Å²	21	12%	0.124	11%	0.108	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-80.8	88.3	167.6	0	0	0	0	0	110.1	S248 S249 K290	A246-S248 PolarHBondContact O-N 3.32Å; A246-S249 WeakPolarHBondContact O-CB 3.25Å; A246-S249 PolarHBondContact O-N 3.11Å; A246-S249 VanDerWaalsContact O-N 3.12Å; A246-K290 HydrophobicContact CB-CD 3.78Å
247	S	98.3	Very high	94.9	Very high	0 Å²	0	18.1 Å²	18.1	0%	0	9%	0.093	C	C	.	.	G	3₁₀ helix	trans	-63.7	-31.9	-173.8	-41.9	0	0	0	0	112.5	V245 S249 L288 N289 Q291 I338	V245-S247 PolarHBondContact O-N 3.43Å; S247-S249 PolarHBondContact O-N 3.23Å; S247-L288 VanDerWaalsContact OG-C 3.31Å; S247-L288 WeakPolarHBondContact OG-CA 3.49Å; S247-N289 VanDerWaalsContact CB-O 3.29Å; S247-N289 WeakPolarHBondContact CB-O 3.32Å; S247-N289 PolarHBondContact N-O 2.99Å; S247-N289 PolarHBondContact OG-O 3.16Å; S247-Q291 PolarHBondContact OG-NE2 3.13Å; S247-I338 WeakPolarHBondContact O-CD1 3.47Å
248	S	97.8	Very high	95.7	Very high	2 Å²	2	19 Å²	19	1%	0.014	10%	0.098	C	C	.	.	G	3₁₀ helix	trans	-71.5	-11.9	178.1	65.7	0	0	0	0	114.4	A246 Y250 K290 K297	A246-S248 PolarHBondContact O-N 3.32Å; S248-Y250 VanDerWaalsContact C-N 3.27Å; S248-Y250 PolarHBondContact O-N 3.48Å; S248-K290 WeakPolarHBondContact OG-CB 3.4Å; S248-K290 WeakPolarHBondContact OG-CD 3.17Å; S248-K297 PolarHBondContact O-NZ 2.97Å
249	S	97.3	Very high	95.9	Very high	1 Å²	1	26.5 Å²	26.5	1%	0.007	13%	0.133	C	C	.	.	G	3₁₀ helix	trans	-88	19.4	-175.4	-64.3	0	0	0	0	114	A246 S247 N251 M252	A246-S249 WeakPolarHBondContact O-CB 3.25Å; A246-S249 PolarHBondContact O-N 3.11Å; A246-S249 VanDerWaalsContact O-N 3.12Å; S247-S249 PolarHBondContact O-N 3.23Å; S249-N251 PolarHBondContact O-N 3.35Å; S249-M252 PolarHBondContact O-N 3.36Å
250	Y	98.3	Very high	96.1	Very high	1 Å²	1	28 Å²	28	0%	0.004	14%	0.142	C	C	.	.	G	3₁₀ helix	trans	-61.7	-22.2	-178.3	66.9	-98	0	0	0	114.2	S248 N261 L294 K297 S303 I305 Y308	S248-Y250 VanDerWaalsContact C-N 3.27Å; S248-Y250 PolarHBondContact O-N 3.48Å; Y250-N261 PolarHBondContact O-ND2 2.93Å; Y250-L294 HydrophobicContact CD1-CD1 3.92Å; Y250-L294 HydrophobicContact CE1-CD1 3.78Å; Y250-K297 HydrophobicContact CE1-CD 3.65Å; Y250-K297 HydrophobicContact CE1-CG 4.24Å; Y250-K297 HydrophobicContact CE2-CD 4.45Å; Y250-K297 WeakPolarHBondContact OH-CD 3.25Å; Y250-K297 VanDerWaalsContact OH-CG 3.3Å; Y250-K297 WeakPolarHBondContact OH-CG 3.19Å; Y250-S303 WeakPolarHBondContact CE2-O 3.12Å; Y250-S303 PolarHBondContact OH-O 3.03Å; Y250-I305 HydrophobicContact CD1-CG1 4.21Å; Y250-I305 HydrophobicContact CD2-CB 4.47Å; Y250-I305 HydrophobicContact CD2-CG1 3.86Å; Y250-I305 HydrophobicContact CE1-CD1 4.47Å; Y250-I305 HydrophobicContact CE1-CG1 4.03Å; Y250-I305 HydrophobicContact CE2-CB 4.45Å; Y250-I305 HydrophobicContact CE2-CG1 3.67Å; Y250-I305 HydrophobicContact CG-CG1 4.13Å; Y250-Y308 HydrophobicContact CD2-CD2 4.11Å; Y250-Y308 HydrophobicContact CE2-CD2 4.37Å
251	N	97.8	Very high	96.4	Very high	8 Å²	8	29.3 Å²	29.3	4%	0.043	15%	0.149	C	C	.	.	G	3₁₀ helix	trans	-104.7	13.2	-179.4	72.2	-28.7	0	0	0	113.9	N164 S249 K297 S303 Y308	N164-N251 WeakPolarHBondContact CB-ND2 3.39Å; S249-N251 PolarHBondContact O-N 3.35Å; N251-K297 PolarHBondContact OD1-NZ 3.42Å; N251-S303 WeakPolarHBondContact ND2-CB 3.48Å; N251-S303 PolarHBondContact ND2-OG 3.45Å; N251-Y308 HydrophobicContact CB-CD1 4.48Å; N251-Y308 HydrophobicContact CB-CD2 3.99Å; N251-Y308 HydrophobicContact CB-CE1 3.96Å; N251-Y308 HydrophobicContact CB-CE2 3.42Å; N251-Y308 VanDerWaalsContact CB-CE2 3.42Å; N251-Y308 HydrophobicContact CB-CG 4.5Å
252	M	97	Very high	96.6	Very high	14 Å²	14	30.4 Å²	30.4	7%	0.069	15%	0.153	C	C	.	.			trans	-119.7	158.6	-173.9	-61.5	175.9	78.1	0	0	111.5	N164 S249 N261 R262	N164-M252 HydrophobicContact CB-CG 4.14Å; S249-M252 PolarHBondContact O-N 3.36Å; M252-N261 CarbonylContact O-C 3.12Å; M252-N261 WeakPolarHBondContact O-CA 3.38Å; M252-R262 HydrophobicContact CB-CG 4.05Å; M252-R262 PolarHBondContact O-N 2.98Å
253	V	97.1	Very high	96.6	Very high	42 Å²	42	30.4 Å²	30.4	26%	0.255	15%	0.153	S	C	.	.	B	Isolated β-bridge	trans	-106.7	154.3	172.6	-63.3	0	0	0	0	111.9	Q167 Q259 T260 R262	Q167-V253 PolarHBondContact NE2-O 3.44Å; V253-Q259 WeakPolarHBondContact CG1-O 3.37Å; V253-T260 CarbonylContact C-O 3.58Å; V253-T260 VanDerWaalsContact CA-O 3.23Å; V253-T260 WeakPolarHBondContact CA-O 3.29Å; V253-R262 VanDerWaalsContact C-CG 3.43Å; V253-R262 WeakPolarHBondContact O-CG 3.28Å; V253-R262 PolarHBondContact O-NE 3.41Å
254	I	95.1	Very high	96.6	Very high	8 Å²	8	33.9 Å²	33.9	4%	0.041	17%	0.169	C	C	.	.			trans	-70.6	153.9	178.7	65.5	175.2	0	0	0	111.4	Q167 E256 D257 N258 T260 R262 E265	Q167-I254 PolarHBondContact NE2-O 3.11Å; I254-E256 VanDerWaalsContact C-N 3.29Å; I254-E256 HydrophobicContact CD1-CB 4.23Å; I254-E256 PolarHBondContact O-N 3.29Å; I254-D257 WeakPolarHBondContact CG1-OD1 3.3Å; I254-N258 WeakPolarHBondContact O-CA 3.5Å; I254-N258 PolarHBondContact O-N 3.42Å; I254-T260 HydrophobicContact CD1-CG2 4.46Å; I254-T260 PolarHBondContact N-O 2.65Å; I254-R262 HydrophobicContact CG2-CB 4.34Å; I254-R262 HydrophobicContact CG2-CG 3.85Å; I254-E265 HydrophobicContact CG2-CB 3.93Å; I254-E265 HydrophobicContact CG2-CG 4.06Å
255	R	92.1	Very high	96.6	Very high	67 Å²	67	34.5 Å²	34.5	25%	0.253	17%	0.172	S	C	.	.	T	Hydrogen-bonded Turn	trans	-67.7	-31.2	-178.8	-74.8	-174.2	167	-147.5	-9.7	112.6	E62 E98 Q167 D257	E62-R255 WeakPolarHBondContact OE1-CD 3.39Å; E62-R255 IonicContact OE1-CZ 3.69Å; E62-R255 IonicContact OE1-NE 3.79Å; E62-R255 PolarHBondContact OE1-NE 2.75Å; E62-R255 VanDerWaalsContact OE1-NE 3.1Å; E98-R255 IonicContact OE1-CZ 3.82Å; E98-R255 IonicContact OE1-NH1 2.91Å; E98-R255 PolarHBondContact OE1-NH1 3.35Å; E98-R255 IonicContact OE1-NH2 3.87Å; E98-R255 PolarHBondContact OE1-NH2 3.09Å; Q167-R255 HydrophobicContact CB-CG 4.15Å; Q167-R255 HydrophobicContact CG-CG 3.89Å; Q167-R255 PolarHBondContact O-NH2 2.91Å; R255-D257 PolarHBondContact O-N 3.47Å
256	E	91.1	Very high	96.6	Very high	74 Å²	74	34.6 Å²	34.6	35%	0.346	17%	0.173	S	C	.	.	T	Hydrogen-bonded Turn	trans	-67.7	-31.4	-170.6	-65.8	96.1	137.2	0	0	114	Q224 R225 I254	Q224-E256 WeakPolarHBondContact CA-OE1 3.36Å; R225-E256 HydrophobicContact CB-CG 4.28Å; R225-E256 HydrophobicContact CG-CG 4.29Å; R225-E256 PolarHBondContact N-OE1 2.99Å; I254-E256 VanDerWaalsContact C-N 3.29Å; I254-E256 HydrophobicContact CD1-CB 4.23Å; I254-E256 PolarHBondContact O-N 3.29Å
257	D	93.7	Very high	96.6	Very high	55 Å²	55	34.2 Å²	34.2	29%	0.294	17%	0.169	S	C	.	.	T	Hydrogen-bonded Turn	trans	-131.7	-6.5	179.4	62.3	26	0	0	0	114.6	R225 I254 R255 Q259 T260	R225-D257 IonicContact CZ-OD2 3.14Å; R225-D257 IonicContact NH1-OD2 3.84Å; R225-D257 PolarHBondContact NH1-OD2 3.12Å; R225-D257 IonicContact NH2-OD2 3.18Å; R225-D257 PolarHBondContact NH2-OD2 3.2Å; I254-D257 WeakPolarHBondContact CG1-OD1 3.3Å; R255-D257 PolarHBondContact O-N 3.47Å; D257-Q259 PolarHBondContact O-N 2.82Å; D257-Q259 PolarHBondContact OD1-N 3.17Å; D257-T260 PolarHBondContact OD1-N 3.22Å; D257-T260 PolarHBondContact OD1-OG1 2.84Å; D257-T260 WeakPolarHBondContact OD2-CB 3.44Å; D257-T260 PolarHBondContact OD2-OG1 3.38Å
258	N	93.8	Very high	96.6	Very high	101 Å²	101	37.4 Å²	37.4	54%	0.54	19%	0.186	S	C	.	.	S	Bend	trans	50.2	27.5	-174.8	-71.9	-35.2	0	0	0	114.1	Q167 I254	Q167-N258 VanDerWaalsContact CG-OD1 3.28Å; Q167-N258 WeakPolarHBondContact CG-OD1 3.48Å; Q167-N258 PolarHBondContact NE2-OD1 3.33Å; I254-N258 WeakPolarHBondContact O-CA 3.5Å; I254-N258 PolarHBondContact O-N 3.42Å
259	Q	95	Very high	96.5	Very high	160 Å²	160	37.7 Å²	37.7	75%	0.748	19%	0.188	S	C	*	.			trans	-136.2	-44.1	-175.7	-171.4	180	21.2	0	0	112.2	V253 D257 N261	V253-Q259 WeakPolarHBondContact CG1-O 3.37Å; D257-Q259 PolarHBondContact O-N 2.82Å; D257-Q259 PolarHBondContact OD1-N 3.17Å; Q259-N261 PolarHBondContact O-N 3.32Å
260	T	97.1	Very high	96.5	Very high	37 Å²	37	37.7 Å²	37.7	23%	0.227	19%	0.187	C	C	.	.	S	Bend	trans	-74.5	125.5	-176.6	-56.1	0	0	0	0	110.1	R225 V253 I254 D257 R262 E265	R225-T260 PolarHBondContact NH2-OG1 3.4Å; V253-T260 CarbonylContact C-O 3.58Å; V253-T260 VanDerWaalsContact CA-O 3.23Å; V253-T260 WeakPolarHBondContact CA-O 3.29Å; I254-T260 HydrophobicContact CD1-CG2 4.46Å; I254-T260 PolarHBondContact N-O 2.65Å; D257-T260 PolarHBondContact OD1-N 3.22Å; D257-T260 PolarHBondContact OD1-OG1 2.84Å; D257-T260 WeakPolarHBondContact OD2-CB 3.44Å; D257-T260 PolarHBondContact OD2-OG1 3.38Å; T260-R262 PolarHBondContact O-N 3.4Å; T260-E265 HydrophobicContact CG2-CB 4.12Å
261	N	98.2	Very high	96.4	Very high	28 Å²	28	43.1 Å²	43.1	15%	0.15	21%	0.211	C	C	.	.	B	Isolated β-bridge	trans	-57.6	134.5	174.7	179.9	-79.1	0	0	0	111.5	Y250 M252 Q259 L263 Q264 E265	Y250-N261 PolarHBondContact O-ND2 2.93Å; M252-N261 CarbonylContact O-C 3.12Å; M252-N261 WeakPolarHBondContact O-CA 3.38Å; Q259-N261 PolarHBondContact O-N 3.32Å; N261-L263 PolarHBondContact O-N 2.74Å; N261-L263 WeakPolarHBondContact OD1-CA 3.47Å; N261-L263 WeakPolarHBondContact OD1-CB 3.5Å; N261-L263 PolarHBondContact OD1-N 2.94Å; N261-Q264 HydrophobicContact CB-CB 3.9Å; N261-Q264 PolarHBondContact O-N 2.8Å; N261-Q264 PolarHBondContact OD1-N 3.25Å; N261-E265 PolarHBondContact O-N 3.12Å
262	R	97.9	Very high	96.3	Very high	23 Å²	23	47.8 Å²	47.8	9%	0.087	24%	0.236	C	C	.	.	H	α-helix	trans	-63.6	-39.7	-175.3	-67.3	-169.7	175.7	-158.5	-4.9	113.2	E62 M252 V253 I254 T260 A266	E62-R262 IonicContact OE2-CZ 2.63Å; E62-R262 VanDerWaalsContact OE2-CZ 3.29Å; E62-R262 IonicContact OE2-NH1 2.8Å; E62-R262 PolarHBondContact OE2-NH1 3.34Å; E62-R262 IonicContact OE2-NH2 2.75Å; E62-R262 PolarHBondContact OE2-NH2 2.92Å; M252-R262 HydrophobicContact CB-CG 4.05Å; M252-R262 PolarHBondContact O-N 2.98Å; V253-R262 VanDerWaalsContact C-CG 3.43Å; V253-R262 WeakPolarHBondContact O-CG 3.28Å; V253-R262 PolarHBondContact O-NE 3.41Å; I254-R262 HydrophobicContact CG2-CB 4.34Å; I254-R262 HydrophobicContact CG2-CG 3.85Å; T260-R262 PolarHBondContact O-N 3.4Å; R262-A266 PolarHBondContact O-N 3.02Å; R262-A266 VanDerWaalsContact O-N 3.1Å
263	L	98.3	Very high	96.1	Very high	2 Å²	2	47.6 Å²	47.6	1%	0.01	24%	0.235	C	C	.	.	H	α-helix	trans	-72.1	-38.8	178.1	-178.9	59.8	0	0	0	111	V245 N261 E265 A266 L267 F309 I338 F342	V245-L263 HydrophobicContact CG1-CD1 3.87Å; N261-L263 PolarHBondContact O-N 2.74Å; N261-L263 WeakPolarHBondContact OD1-CA 3.47Å; N261-L263 WeakPolarHBondContact OD1-CB 3.5Å; N261-L263 PolarHBondContact OD1-N 2.94Å; L263-E265 PolarHBondContact O-N 3.48Å; L263-A266 WeakPolarHBondContact O-CB 2.98Å; L263-A266 PolarHBondContact O-N 3.31Å; L263-A266 VanDerWaalsContact O-N 3.16Å; L263-L267 WeakPolarHBondContact O-CG 3.38Å; L263-L267 PolarHBondContact O-N 3.12Å; L263-F309 HydrophobicContact CB-CE2 4.11Å; L263-F309 HydrophobicContact CB-CZ 3.83Å; L263-F309 HydrophobicContact CD2-CD2 4.44Å; L263-F309 HydrophobicContact CD2-CE1 4.49Å; L263-F309 HydrophobicContact CD2-CE2 3.78Å; L263-F309 HydrophobicContact CD2-CZ 3.81Å; L263-F309 HydrophobicContact CG-CE2 4.26Å; L263-F309 HydrophobicContact CG-CZ 3.87Å; L263-I338 HydrophobicContact CD1-CG2 4.04Å; L263-I338 HydrophobicContact CD2-CD1 4.27Å; L263-I338 HydrophobicContact CD2-CG1 4.08Å; L263-I338 HydrophobicContact CD2-CG2 4.32Å; L263-F342 HydrophobicContact CD1-CE2 3.93Å; L263-F342 HydrophobicContact CD1-CZ 4.14Å
264	Q	98.3	Very high	96	Very high	73 Å²	73	46 Å²	46	34%	0.341	23%	0.225	S	C	.	.	H	α-helix	trans	-62.2	-41.9	173.2	-172.8	60.1	58.3	0	0	112.3	N261 A266 L267 N268	N261-Q264 HydrophobicContact CB-CB 3.9Å; N261-Q264 PolarHBondContact O-N 2.8Å; N261-Q264 PolarHBondContact OD1-N 3.25Å; Q264-A266 VanDerWaalsContact C-N 3.29Å; Q264-A266 PolarHBondContact O-N 2.9Å; Q264-L267 PolarHBondContact O-N 3.26Å; Q264-N268 PolarHBondContact NE2-OD1 3.38Å; Q264-N268 VanDerWaalsContact NE2-OD1 3.11Å; Q264-N268 WeakPolarHBondContact O-CB 3.23Å; Q264-N268 PolarHBondContact O-N 3.32Å; Q264-N268 PolarHBondContact O-ND2 3.43Å
265	E	97.7	Very high	95.9	Very high	12 Å²	12	49 Å²	49	6%	0.056	24%	0.241	C	C	.	.	H	α-helix	trans	-59.8	-41.3	173.5	178.6	71.7	178.1	0	0	111	R225 R228 I254 T260 N261 L263 N268 L269	R225-E265 IonicContact CZ-OE1 2.76Å; R225-E265 IonicContact CZ-OE2 3.05Å; R225-E265 IonicContact NE-OE1 2.8Å; R225-E265 PolarHBondContact NE-OE1 2.77Å; R225-E265 VanDerWaalsContact NE-OE1 3.14Å; R225-E265 IonicContact NE-OE2 2.65Å; R225-E265 IonicContact NH2-OE1 2.75Å; R225-E265 IonicContact NH2-OE2 2.68Å; R225-E265 PolarHBondContact NH2-OE2 2.84Å; R228-E265 IonicContact CZ-OE1 2.75Å; R228-E265 IonicContact NH1-OE1 3.41Å; R228-E265 PolarHBondContact NH1-OE1 3.06Å; R228-E265 IonicContact NH2-OE1 3.69Å; R228-E265 PolarHBondContact NH2-OE1 3.41Å; I254-E265 HydrophobicContact CG2-CB 3.93Å; I254-E265 HydrophobicContact CG2-CG 4.06Å; T260-E265 HydrophobicContact CG2-CB 4.12Å; N261-E265 PolarHBondContact O-N 3.12Å; L263-E265 PolarHBondContact O-N 3.48Å; E265-N268 PolarHBondContact O-N 2.87Å; E265-L269 WeakPolarHBondContact O-CB 3.42Å; E265-L269 PolarHBondContact O-N 2.98Å
266	A	98.4	Very high	95.8	Very high	4 Å²	4	47.3 Å²	47.3	3%	0.033	24%	0.237	C	C	.	.	H	α-helix	trans	-64.2	-41	176.6	0	0	0	0	0	112.3	V245 R262 L263 Q264 L269 F270 F342	V245-A266 HydrophobicContact CG1-CB 4.26Å; R262-A266 PolarHBondContact O-N 3.02Å; R262-A266 VanDerWaalsContact O-N 3.1Å; L263-A266 WeakPolarHBondContact O-CB 2.98Å; L263-A266 PolarHBondContact O-N 3.31Å; L263-A266 VanDerWaalsContact O-N 3.16Å; Q264-A266 VanDerWaalsContact C-N 3.29Å; Q264-A266 PolarHBondContact O-N 2.9Å; A266-L269 PolarHBondContact O-N 3.07Å; A266-F270 WeakPolarHBondContact O-CB 3.41Å; A266-F270 PolarHBondContact O-N 3.02Å; A266-F342 HydrophobicContact CB-CZ 4.05Å
267	L	98.6	Very high	95.8	Very high	7 Å²	7	52.1 Å²	52.1	4%	0.037	25%	0.251	C	S	.	.	H	α-helix	trans	-62.4	-46.7	174.3	-73	165.9	0	0	0	111.7	L263 Q264 L269 F270 K271 F309 E341 F342 I345	L263-L267 WeakPolarHBondContact O-CG 3.38Å; L263-L267 PolarHBondContact O-N 3.12Å; Q264-L267 PolarHBondContact O-N 3.26Å; L267-L269 VanDerWaalsContact C-N 3.33Å; L267-L269 PolarHBondContact O-N 3.07Å; L267-F270 PolarHBondContact O-N 3.43Å; L267-K271 WeakPolarHBondContact O-CB 3.23Å; L267-K271 PolarHBondContact O-N 2.95Å; L267-F309 HydrophobicContact CD1-CE1 4.24Å; L267-E341 HydrophobicContact CD1-CB 4.29Å; L267-E341 HydrophobicContact CD2-CB 3.78Å; L267-F342 HydrophobicContact CD2-CD1 3.86Å; L267-F342 HydrophobicContact CD2-CD2 3.85Å; L267-F342 HydrophobicContact CD2-CE1 3.8Å; L267-F342 HydrophobicContact CD2-CE2 3.77Å; L267-F342 HydrophobicContact CD2-CG 3.87Å; L267-F342 HydrophobicContact CD2-CZ 3.73Å; L267-F342 HydrophobicContact CG-CE1 4.28Å; L267-F342 HydrophobicContact CG-CE2 4.28Å; L267-F342 HydrophobicContact CG-CZ 3.97Å; L267-I345 HydrophobicContact CB-CD1 4.22Å; L267-I345 HydrophobicContact CD2-CD1 3.76Å
268	N	97.5	Very high	95.5	Very high	66 Å²	66	56 Å²	56	35%	0.353	26%	0.262	S	S	.	.	H	α-helix	trans	-60.5	-44.8	177.1	-69.2	-17.6	0	0	0	111.2	Q264 E265 K271 N272	Q264-N268 PolarHBondContact NE2-OD1 3.38Å; Q264-N268 VanDerWaalsContact NE2-OD1 3.11Å; Q264-N268 WeakPolarHBondContact O-CB 3.23Å; Q264-N268 PolarHBondContact O-N 3.32Å; Q264-N268 PolarHBondContact O-ND2 3.43Å; E265-N268 PolarHBondContact O-N 2.87Å; N268-K271 PolarHBondContact O-N 3.28Å; N268-N272 VanDerWaalsContact O-CG 3.26Å; N268-N272 PolarHBondContact O-N 2.94Å; N268-N272 PolarHBondContact O-ND2 2.84Å
269	L	96.7	Very high	95.4	Very high	9 Å²	9	51.3 Å²	51.3	5%	0.047	24%	0.237	C	C	.	.	H	α-helix	trans	-63.6	-45.2	177.6	-177.7	64	0	0	0	111.6	W231 F243 E265 A266 L267 K271 N272 I273	W231-L269 HydrophobicContact CH2-CD1 3.74Å; W231-L269 HydrophobicContact CH2-CD2 3.7Å; W231-L269 HydrophobicContact CH2-CG 4.15Å; W231-L269 HydrophobicContact CZ3-CD1 3.64Å; W231-L269 HydrophobicContact CZ3-CD2 4.3Å; W231-L269 HydrophobicContact CZ3-CG 4.26Å; F243-L269 HydrophobicContact CE2-CD2 4.07Å; F243-L269 HydrophobicContact CE2-CG 3.93Å; F243-L269 HydrophobicContact CZ-CB 4.13Å; F243-L269 HydrophobicContact CZ-CD2 3.88Å; F243-L269 HydrophobicContact CZ-CG 3.89Å; E265-L269 WeakPolarHBondContact O-CB 3.42Å; E265-L269 PolarHBondContact O-N 2.98Å; A266-L269 PolarHBondContact O-N 3.07Å; L267-L269 VanDerWaalsContact C-N 3.33Å; L267-L269 PolarHBondContact O-N 3.07Å; L269-K271 PolarHBondContact O-N 3.03Å; L269-N272 WeakPolarHBondContact O-CB 3.15Å; L269-N272 PolarHBondContact O-N 3.04Å; L269-I273 WeakPolarHBondContact O-CG1 2.98Å; L269-I273 PolarHBondContact O-N 3.31Å
270	F	97.6	Very high	94.9	Very high	0 Å²	0	50.1 Å²	50.1	0%	0	23%	0.226	C	C	.	.	H	α-helix	trans	-60.7	-45.1	176.5	-178.5	-99.4	0	0	0	111.3	F243 A266 L267 N272 I273 W274 V284 L286 F342 I345	F243-F270 HydrophobicContact CB-CD2 4.32Å; F243-F270 HydrophobicContact CD1-CB 4.42Å; F243-F270 AromaticContact CD1-CD2 3.74Å; F243-F270 HydrophobicContact CD1-CD2 3.74Å; F243-F270 HydrophobicContact CD2-CD2 4.13Å; F243-F270 HydrophobicContact CE1-CB 3.82Å; F243-F270 HydrophobicContact CE1-CD2 4.02Å; F243-F270 HydrophobicContact CE1-CG 4.4Å; F243-F270 HydrophobicContact CE2-CB 4.25Å; F243-F270 HydrophobicContact CE2-CD2 4.39Å; F243-F270 AromaticContact CG-CD2 3.8Å; F243-F270 HydrophobicContact CG-CD2 3.8Å; F243-F270 HydrophobicContact CG-CE2 4.48Å; F243-F270 HydrophobicContact CZ-CB 3.72Å; F243-F270 HydrophobicContact CZ-CD2 4.34Å; A266-F270 WeakPolarHBondContact O-CB 3.41Å; A266-F270 PolarHBondContact O-N 3.02Å; L267-F270 PolarHBondContact O-N 3.43Å; F270-N272 VanDerWaalsContact C-N 3.28Å; F270-N272 PolarHBondContact O-N 2.96Å; F270-I273 PolarHBondContact O-N 3.47Å; F270-I273 VanDerWaalsContact O-N 3.15Å; F270-W274 HydrophobicContact CZ-CE3 4.13Å; F270-W274 WeakPolarHBondContact O-CB 3.27Å; F270-W274 PolarHBondContact O-N 3.14Å; F270-V284 HydrophobicContact CE2-CB 4.45Å; F270-V284 HydrophobicContact CE2-CG1 3.85Å; F270-L286 HydrophobicContact CD2-CD1 4.34Å; F270-L286 HydrophobicContact CE2-CD1 4.21Å; F270-F342 HydrophobicContact CB-CD1 3.73Å; F270-F342 HydrophobicContact CB-CE1 3.71Å; F270-F342 AromaticContact CD1-CD1 3.74Å; F270-F342 HydrophobicContact CD1-CD1 3.74Å; F270-F342 HydrophobicContact CD2-CD1 4.04Å; F270-F342 HydrophobicContact CE1-CB 4.41Å; F270-F342 HydrophobicContact CE1-CD1 4.34Å; F270-F342 WeakPolarHBondContact CE1-O 3.35Å; F270-F342 AromaticContact CG-CD1 3.57Å; F270-F342 HydrophobicContact CG-CD1 3.57Å; F270-F342 HydrophobicContact CG-CE1 4.06Å; F270-I345 HydrophobicContact CD1-CB 4.02Å; F270-I345 HydrophobicContact CD1-CD1 4.04Å; F270-I345 HydrophobicContact CD1-CG2 3.82Å; F270-I345 HydrophobicContact CE1-CB 4.08Å; F270-I345 HydrophobicContact CE1-CG2 4.02Å
271	K	96.5	Very high	94.5	Very high	115 Å²	115	52.9 Å²	52.9	50%	0.5	24%	0.243	S	C	.	.	H	α-helix	trans	-57.2	-40.7	174.6	-174	176	-177.9	177.9	0	112.5	L267 N268 L269 N275 I345	L267-K271 WeakPolarHBondContact O-CB 3.23Å; L267-K271 PolarHBondContact O-N 2.95Å; N268-K271 PolarHBondContact O-N 3.28Å; L269-K271 PolarHBondContact O-N 3.03Å; K271-N275 WeakPolarHBondContact O-CB 3.37Å; K271-N275 PolarHBondContact O-N 3.4Å; K271-N275 VanDerWaalsContact O-N 3.11Å; K271-N275 PolarHBondContact O-ND2 2.56Å; K271-I345 HydrophobicContact CB-CD1 4.28Å; K271-I345 HydrophobicContact CB-CG2 3.85Å; K271-I345 HydrophobicContact CG-CG2 4.03Å
272	N	94.5	Very high	94.2	Very high	107 Å²	107	52.5 Å²	52.5	57%	0.572	24%	0.24	S	C	*	.	H	α-helix	trans	-68	-38.5	177.3	-71.2	-23.2	0	0	0	112.5	N268 L269 F270 N276	N268-N272 VanDerWaalsContact O-CG 3.26Å; N268-N272 PolarHBondContact O-N 2.94Å; N268-N272 PolarHBondContact O-ND2 2.84Å; L269-N272 WeakPolarHBondContact O-CB 3.15Å; L269-N272 PolarHBondContact O-N 3.04Å; F270-N272 VanDerWaalsContact C-N 3.28Å; F270-N272 PolarHBondContact O-N 2.96Å; N272-N276 WeakPolarHBondContact O-CB 3.43Å; N272-N276 PolarHBondContact O-N 3.25Å
273	I	93.8	Very high	93.9	Very high	9 Å²	9	51.9 Å²	51.9	5%	0.046	24%	0.24	C	C	.	.	H	α-helix	trans	-69.8	-46.4	176.2	-68.9	-55.3	0	0	0	111.2	L58 W231 F235 I241 F243 L269 F270 N275 N276 L279	L58-I273 HydrophobicContact CD1-CD1 3.67Å; L58-I273 HydrophobicContact CD1-CG1 3.98Å; L58-I273 HydrophobicContact CD1-CG2 4.06Å; W231-I273 HydrophobicContact CE3-CD1 4.07Å; W231-I273 HydrophobicContact CZ3-CD1 4Å; W231-I273 HydrophobicContact CZ3-CG1 4.37Å; F235-I273 HydrophobicContact CZ-CD1 4.33Å; I241-I273 HydrophobicContact CD1-CG2 4.04Å; F243-I273 HydrophobicContact CE2-CG1 4.21Å; L269-I273 WeakPolarHBondContact O-CG1 2.98Å; L269-I273 PolarHBondContact O-N 3.31Å; F270-I273 PolarHBondContact O-N 3.47Å; F270-I273 VanDerWaalsContact O-N 3.15Å; I273-N275 VanDerWaalsContact C-N 3.35Å; I273-N275 PolarHBondContact O-N 2.84Å; I273-N276 WeakPolarHBondContact O-CB 3.37Å; I273-N276 PolarHBondContact O-N 3.25Å; I273-N276 VanDerWaalsContact O-N 3.15Å; I273-L279 HydrophobicContact CD1-CD1 4.24Å; I273-L279 HydrophobicContact CG2-CD1 3.91Å
274	W	94.8	Very high	93.8	Very high	10 Å²	10	51.9 Å²	51.9	4%	0.038	24%	0.24	C	C	.	.	H	α-helix	trans	-59	-44.8	179.8	-172.8	-100.5	0	0	0	112	F270 N276 V284 S346 H354 C356	F270-W274 HydrophobicContact CZ-CE3 4.13Å; F270-W274 WeakPolarHBondContact O-CB 3.27Å; F270-W274 PolarHBondContact O-N 3.14Å; W274-N276 VanDerWaalsContact C-N 3.29Å; W274-N276 PolarHBondContact O-N 3.38Å; W274-V284 HydrophobicContact CE3-CG2 3.97Å; W274-V284 HydrophobicContact CZ3-CB 4.3Å; W274-V284 HydrophobicContact CZ3-CG2 4.06Å; W274-S346 VanDerWaalsContact CE2-CA 3.48Å; W274-S346 VanDerWaalsContact CZ2-O 3.26Å; W274-S346 WeakPolarHBondContact CZ2-O 3.34Å; W274-S346 PolarHBondContact NE1-O 3.1Å; W274-H354 AromaticContact CD2-NE2 3.77Å; W274-H354 AromaticContact CE2-CD2 3.97Å; W274-H354 AromaticContact CE2-NE2 3.37Å; W274-H354 AromaticContact CH2-CD2 3.54Å; W274-H354 AromaticContact CH2-NE2 3.76Å; W274-H354 AromaticContact CZ2-CD2 3.46Å; W274-H354 VanDerWaalsContact CZ2-CD2 3.46Å; W274-H354 WeakPolarHBondContact CZ2-CD2 3.4Å; W274-H354 AromaticContact CZ2-NE2 3.39Å; W274-H354 WeakPolarHBondContact CZ2-NE2 3.42Å; W274-H354 AromaticContact NE1-NE2 3.85Å; W274-H354 PolarHBondContact O-CE1 3.1Å; W274-C356 HydrophobicContact CH2-CB 4.09Å; W274-C356 HydrophobicContact CZ3-CB 3.91Å
275	N	92.1	Very high	93.7	Very high	71 Å²	71	48.4 Å²	48.4	38%	0.38	22%	0.223	S	C	.	.	T	Hydrogen-bonded Turn	trans	-88.4	7.5	-179.2	-62.3	-64.8	0	0	0	113.6	K271 I273 R277 S349	K271-N275 WeakPolarHBondContact O-CB 3.37Å; K271-N275 PolarHBondContact O-N 3.4Å; K271-N275 VanDerWaalsContact O-N 3.11Å; K271-N275 PolarHBondContact O-ND2 2.56Å; I273-N275 VanDerWaalsContact C-N 3.35Å; I273-N275 PolarHBondContact O-N 2.84Å; N275-R277 PolarHBondContact O-N 3.4Å; N275-S349 PolarHBondContact OD1-OG 3.47Å
276	N	91.3	Very high	93.8	Very high	31 Å²	31	47.8 Å²	47.8	17%	0.166	22%	0.221	C	C	.	.			trans	-69.4	129.4	-175.4	-171.5	-69.3	0	0	0	111.5	N272 I273 W274 W278 L279 R280	N272-N276 WeakPolarHBondContact O-CB 3.43Å; N272-N276 PolarHBondContact O-N 3.25Å; I273-N276 WeakPolarHBondContact O-CB 3.37Å; I273-N276 PolarHBondContact O-N 3.25Å; I273-N276 VanDerWaalsContact O-N 3.15Å; W274-N276 VanDerWaalsContact C-N 3.29Å; W274-N276 PolarHBondContact O-N 3.38Å; N276-W278 PolarHBondContact O-N 3.4Å; N276-W278 VanDerWaalsContact O-N 3.15Å; N276-W278 WeakPolarHBondContact OD1-CB 3.34Å; N276-W278 PolarHBondContact OD1-N 3.32Å; N276-L279 HydrophobicContact CB-CB 4.15Å; N276-L279 HydrophobicContact CB-CD1 4.02Å; N276-L279 HydrophobicContact CB-CG 4.18Å; N276-L279 PolarHBondContact O-N 2.9Å; N276-R280 WeakPolarHBondContact O-CG 3.37Å; N276-R280 PolarHBondContact O-N 3.15Å
277	R	89.6	Confident	93.8	Very high	174 Å²	174	47.7 Å²	47.7	66%	0.657	22%	0.22	S	C	*	.	T	Hydrogen-bonded Turn	trans	-58.1	-30.8	-178.1	68.8	177.2	175.2	180	-3.8	114.6	N275 L279	N275-R277 PolarHBondContact O-N 3.4Å; R277-L279 VanDerWaalsContact C-N 3.34Å
278	W	88.9	Confident	93.8	Very high	138 Å²	138	47.4 Å²	47.4	52%	0.523	22%	0.218	S	C	.	.	T	Hydrogen-bonded Turn	trans	-83.7	-11	-179.2	-59.9	-76.2	0	0	0	112.7	I232 F235 N276	I232-W278 HydrophobicContact CD1-CD2 3.66Å; I232-W278 HydrophobicContact CD1-CE3 3.66Å; I232-W278 HydrophobicContact CD1-CG 4.06Å; I232-W278 HydrophobicContact CD1-CH2 4.43Å; I232-W278 HydrophobicContact CD1-CZ2 4.34Å; I232-W278 HydrophobicContact CD1-CZ3 4.11Å; F235-W278 HydrophobicContact CD2-CB 4.06Å; N276-W278 PolarHBondContact O-N 3.4Å; N276-W278 VanDerWaalsContact O-N 3.15Å; N276-W278 WeakPolarHBondContact OD1-CB 3.34Å; N276-W278 PolarHBondContact OD1-N 3.32Å
279	L	90.1	Very high	93.8	Very high	2 Å²	2	44.5 Å²	44.5	1%	0.01	20%	0.202	C	C	.	.	S	Bend	trans	-119.9	10.1	-173.7	-56.4	175.4	0	0	0	113.5	F235 I241 I273 N276 R277 T281 I282 H354	F235-L279 HydrophobicContact CB-CD2 4.25Å; F235-L279 HydrophobicContact CD1-CD2 4.28Å; F235-L279 HydrophobicContact CD2-CD1 4.2Å; F235-L279 HydrophobicContact CD2-CD2 3.84Å; F235-L279 HydrophobicContact CD2-CG 4.01Å; F235-L279 HydrophobicContact CE1-CD1 4.3Å; F235-L279 HydrophobicContact CE2-CD1 3.73Å; F235-L279 HydrophobicContact CE2-CD2 4.24Å; F235-L279 HydrophobicContact CE2-CG 4Å; F235-L279 HydrophobicContact CG-CD2 3.88Å; F235-L279 HydrophobicContact CZ-CD1 3.79Å; F235-L279 HydrophobicContact CZ-CG 4.48Å; I241-L279 HydrophobicContact CD1-CB 4.44Å; I241-L279 HydrophobicContact CD1-CD1 3.62Å; I241-L279 HydrophobicContact CD1-CD2 3.98Å; I241-L279 HydrophobicContact CD1-CG 4.22Å; I273-L279 HydrophobicContact CD1-CD1 4.24Å; I273-L279 HydrophobicContact CG2-CD1 3.91Å; N276-L279 HydrophobicContact CB-CB 4.15Å; N276-L279 HydrophobicContact CB-CD1 4.02Å; N276-L279 HydrophobicContact CB-CG 4.18Å; N276-L279 PolarHBondContact O-N 2.9Å; R277-L279 VanDerWaalsContact C-N 3.34Å; L279-T281 PolarHBondContact O-N 3.01Å; L279-I282 HydrophobicContact CB-CB 4.49Å; L279-I282 HydrophobicContact CD2-CG1 4.22Å; L279-I282 PolarHBondContact O-N 2.82Å; L279-H354 PolarHBondContact O-ND1 3.01Å
280	R	85.9	Confident	93.9	Very high	134 Å²	134	44.7 Å²	44.7	51%	0.506	20%	0.203	S	C	.	.	T	Hydrogen-bonded Turn	trans	-58.9	-20.8	-174.2	-71.5	-174.8	172.7	-177.3	-4.5	115.6	N276 H354	N276-R280 WeakPolarHBondContact O-CG 3.37Å; N276-R280 PolarHBondContact O-N 3.15Å; R280-H354 PolarHBondContact O-ND1 3.15Å
281	T	87.9	Confident	93.9	Very high	96 Å²	96	46 Å²	46	59%	0.589	21%	0.209	S	C	*	.	T	Hydrogen-bonded Turn	trans	-108.5	-4.1	178	56	0	0	0	0	112.3	L279	L279-T281 PolarHBondContact O-N 3.01Å
282	I	91.2	Very high	93.9	Very high	19 Å²	19	43.1 Å²	43.1	10%	0.097	20%	0.199	C	C	.	.			trans	-92.9	119.9	-176	-50.3	-52.8	0	0	0	108.1	V238 I241 L279 H354	V238-I282 HydrophobicContact CG1-CG2 4.3Å; V238-I282 WeakPolarHBondContact O-CD1 3.29Å; I241-I282 HydrophobicContact CD1-CG2 4.08Å; I241-I282 HydrophobicContact CG1-CG2 3.88Å; L279-I282 HydrophobicContact CB-CB 4.49Å; L279-I282 HydrophobicContact CD2-CG1 4.22Å; L279-I282 PolarHBondContact O-N 2.82Å; I282-H354 WeakPolarHBondContact O-CB 3.37Å; I282-H354 PolarHBondContact O-ND1 2.69Å
283	S	92.4	Very high	93.9	Very high	10 Å²	10	40.5 Å²	40.5	7%	0.07	19%	0.185	C	C	.	.			trans	-77.3	155	176.8	-66.2	0	0	0	0	111.6	I241 Y355	I241-S283 PolarHBondContact N-O 3.28Å; I241-S283 VanDerWaalsContact N-O 3.12Å; S283-Y355 WeakPolarHBondContact CA-O 3.32Å; S283-Y355 VanDerWaalsContact CB-O 3.31Å; S283-Y355 WeakPolarHBondContact CB-O 3.41Å; S283-Y355 PolarHBondContact OG-N 2.72Å; S283-Y355 VanDerWaalsContact OG-N 3.07Å
284	V	95.8	Very high	94.1	Very high	2 Å²	2	40 Å²	40	1%	0.012	18%	0.182	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.9	122	-174.3	-173.4	0	0	0	0	109.7	I241 F243 F270 W274 Y355 C356 Y357	I241-V284 HydrophobicContact CB-CG1 4.44Å; I241-V284 HydrophobicContact CB-CG2 4.31Å; I241-V284 HydrophobicContact CG2-CG1 4.22Å; I241-V284 CarbonylContact O-C 3.57Å; I241-V284 WeakPolarHBondContact O-CA 3.36Å; F243-V284 HydrophobicContact CB-CG1 3.62Å; F270-V284 HydrophobicContact CE2-CB 4.45Å; F270-V284 HydrophobicContact CE2-CG1 3.85Å; W274-V284 HydrophobicContact CE3-CG2 3.97Å; W274-V284 HydrophobicContact CZ3-CB 4.3Å; W274-V284 HydrophobicContact CZ3-CG2 4.06Å; V284-Y355 PolarHBondContact N-O 3.23Å; V284-C356 CarbonylContact O-C 3.25Å; V284-C356 VanDerWaalsContact O-CA 3.27Å; V284-C356 WeakPolarHBondContact O-CA 3.2Å; V284-Y357 PolarHBondContact O-N 3.47Å
285	I	97.4	Very high	94.3	Very high	0 Å²	0	40.8 Å²	40.8	0%	0	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.1	115.8	165.7	-61	168.3	0	0	0	106.2	A240 I241 I242 F243 F287 Y357 C376 I380	A240-I285 HydrophobicContact CB-CD1 4.37Å; I241-I285 PolarHBondContact O-N 3.05Å; I242-I285 CarbonylContact C-O 3.43Å; I242-I285 WeakPolarHBondContact CA-O 3.23Å; I242-I285 HydrophobicContact CG1-CB 4.31Å; I242-I285 HydrophobicContact CG1-CD1 4.48Å; F243-I285 PolarHBondContact N-O 3.36Å; I285-F287 HydrophobicContact CG2-CD1 3.82Å; I285-F287 HydrophobicContact CG2-CE1 3.4Å; I285-F287 HydrophobicContact CG2-CZ 4.28Å; I285-Y357 CarbonylContact C-O 3.5Å; I285-C376 HydrophobicContact CD1-CB 4.05Å; I285-C376 VanDerWaalsContact CG2-SG 3.55Å; I285-I380 HydrophobicContact CD1-CD1 3.95Å; I285-I380 HydrophobicContact CD1-CG1 3.74Å
286	L	98.3	Very high	94.5	Very high	0 Å²	0	42.5 Å²	42.5	0%	0	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.1	111.7	-175.3	174.4	67.5	0	0	0	109.7	F243 V245 F270 L288 F342 Y357 P358 H359	F243-L286 HydrophobicContact CB-CD1 4.32Å; F243-L286 HydrophobicContact CD1-CD1 3.8Å; F243-L286 HydrophobicContact CG-CD1 4.5Å; V245-L286 HydrophobicContact CG2-CD1 3.68Å; F270-L286 HydrophobicContact CD2-CD1 4.34Å; F270-L286 HydrophobicContact CE2-CD1 4.21Å; L286-L288 HydrophobicContact CD2-CD2 4.19Å; L286-L288 HydrophobicContact CD2-CG 4.47Å; L286-L288 HydrophobicContact CG-CD2 4.25Å; L286-L288 HydrophobicContact CG-CG 4.36Å; L286-F342 HydrophobicContact CD1-CD1 4.15Å; L286-F342 HydrophobicContact CD1-CG 4.34Å; L286-F342 HydrophobicContact CD2-CB 3.4Å; L286-F342 VanDerWaalsContact CD2-CB 3.4Å; L286-F342 HydrophobicContact CD2-CD1 4.33Å; L286-F342 HydrophobicContact CD2-CD2 4.34Å; L286-F342 HydrophobicContact CD2-CG 3.79Å; L286-Y357 PolarHBondContact N-O 3.46Å; L286-P358 HydrophobicContact CD2-CB 4.37Å; L286-P358 CarbonylContact O-C 3.59Å; L286-P358 WeakPolarHBondContact O-CA 3.42Å; L286-H359 PolarHBondContact O-N 3.09Å
287	F	98.6	Very high	94.7	Very high	2 Å²	2	43.4 Å²	43.4	1%	0.009	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.7	106.5	174.3	-77.2	5	0	0	0	110.1	I68 I242 F243 V244 V245 I285 N289 H359 T361 V372	I68-F287 HydrophobicContact CD1-CD2 4.06Å; I68-F287 HydrophobicContact CD1-CE2 4.17Å; I68-F287 HydrophobicContact CG1-CD2 4.31Å; I68-F287 HydrophobicContact CG2-CE2 4.33Å; I242-F287 HydrophobicContact CG2-CD1 4.29Å; I242-F287 HydrophobicContact CG2-CD2 3.57Å; I242-F287 HydrophobicContact CG2-CE1 4.4Å; I242-F287 HydrophobicContact CG2-CE2 3.68Å; I242-F287 HydrophobicContact CG2-CG 3.89Å; I242-F287 HydrophobicContact CG2-CZ 4.1Å; F243-F287 PolarHBondContact O-N 3.38Å; V244-F287 HydrophobicContact CG1-CB 4.36Å; V244-F287 HydrophobicContact CG2-CB 4.37Å; V245-F287 PolarHBondContact N-O 3.27Å; I285-F287 HydrophobicContact CG2-CD1 3.82Å; I285-F287 HydrophobicContact CG2-CE1 3.4Å; I285-F287 HydrophobicContact CG2-CZ 4.28Å; F287-N289 VanDerWaalsContact C-N 3.31Å; F287-N289 PolarHBondContact O-N 3.24Å; F287-N289 VanDerWaalsContact O-N 3.1Å; F287-H359 HydrophobicContact CD1-CB 4.09Å; F287-H359 HydrophobicContact CE1-CB 4.24Å; F287-T361 HydrophobicContact CB-CG2 4.08Å; F287-T361 HydrophobicContact CD1-CG2 3.86Å; F287-T361 HydrophobicContact CD2-CG2 4.11Å; F287-T361 HydrophobicContact CE1-CG2 4.29Å; F287-T361 HydrophobicContact CG-CG2 3.76Å; F287-V372 HydrophobicContact CD1-CG1 4.3Å; F287-V372 HydrophobicContact CE1-CG1 3.49Å; F287-V372 VanDerWaalsContact CE1-CG1 3.49Å; F287-V372 HydrophobicContact CZ-CG1 3.66Å
288	L	98.6	Very high	95.1	Very high	0 Å²	0	36.1 Å²	36.1	0%	0	17%	0.174	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.3	83.1	169.2	-61.7	171.3	0	0	0	107.7	V245 S247 L286 Q291 I338 R339 F342 H359 F360 T361	V245-L288 HydrophobicContact CB-CD2 4.27Å; V245-L288 HydrophobicContact CG2-CD2 4.44Å; S247-L288 VanDerWaalsContact OG-C 3.31Å; S247-L288 WeakPolarHBondContact OG-CA 3.49Å; L286-L288 HydrophobicContact CD2-CD2 4.19Å; L286-L288 HydrophobicContact CD2-CG 4.47Å; L286-L288 HydrophobicContact CG-CD2 4.25Å; L286-L288 HydrophobicContact CG-CG 4.36Å; L288-Q291 WeakPolarHBondContact O-CG 3.41Å; L288-Q291 PolarHBondContact O-NE2 2.85Å; L288-I338 HydrophobicContact CD2-CG2 4.06Å; L288-R339 HydrophobicContact CD1-CB 3.53Å; L288-R339 HydrophobicContact CD1-CG 3.9Å; L288-F342 HydrophobicContact CD2-CD2 4.04Å; L288-F342 HydrophobicContact CD2-CE2 4.25Å; L288-H359 PolarHBondContact N-O 3.26Å; L288-F360 HydrophobicContact CB-CD1 3.99Å; L288-F360 HydrophobicContact CB-CE1 4.47Å; L288-F360 HydrophobicContact CD1-CD1 3.77Å; L288-F360 HydrophobicContact CD1-CE1 3.47Å; L288-F360 VanDerWaalsContact CD1-CE1 3.47Å; L288-F360 HydrophobicContact CD1-CZ 4.33Å; L288-T361 PolarHBondContact O-N 2.86Å
289	N	98.4	Very high	95.5	Very high	5 Å²	5	33.1 Å²	33.1	3%	0.027	17%	0.167	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.7	169.1	-172.7	-170.1	32.5	0	0	0	112.3	S63 V244 V245 S247 F287 T361 A363	S63-N289 PolarHBondContact O-ND2 2.75Å; V244-N289 HydrophobicContact CG1-CB 3.79Å; V245-N289 VanDerWaalsContact O-CA 3.32Å; V245-N289 WeakPolarHBondContact O-CA 3.34Å; V245-N289 VanDerWaalsContact O-CB 3.23Å; V245-N289 WeakPolarHBondContact O-CB 3.43Å; V245-N289 PolarHBondContact O-N 3.15Å; S247-N289 VanDerWaalsContact CB-O 3.29Å; S247-N289 WeakPolarHBondContact CB-O 3.32Å; S247-N289 PolarHBondContact N-O 2.99Å; S247-N289 PolarHBondContact OG-O 3.16Å; F287-N289 VanDerWaalsContact C-N 3.31Å; F287-N289 PolarHBondContact O-N 3.24Å; F287-N289 VanDerWaalsContact O-N 3.1Å; N289-T361 CarbonylContact C-O 3.55Å; N289-T361 VanDerWaalsContact CA-O 3.27Å; N289-T361 WeakPolarHBondContact CA-O 3.46Å; N289-T361 VanDerWaalsContact CA-OG1 3.26Å; N289-T361 WeakPolarHBondContact CA-OG1 3.42Å; N289-T361 PolarHBondContact OD1-O 3.4Å; N289-A363 VanDerWaalsContact OD1-CB 3.3Å; N289-A363 WeakPolarHBondContact OD1-CB 3.45Å; N289-A363 PolarHBondContact OD1-N 3.5Å
290	K	97.7	Very high	95.8	Very high	14 Å²	14	35.8 Å²	35.8	6%	0.061	19%	0.19	C	C	.	.			trans	63.9	41.2	179.1	-50.3	-175.3	-173.6	178.2	0	113	E62 D170 A246 S248 D292 L293 L294 T361	E62-K290 WeakPolarHBondContact O-CE 3.38Å; E62-K290 PolarHBondContact O-NZ 2.77Å; D170-K290 IonicContact OD1-NZ 3.92Å; D170-K290 WeakPolarHBondContact OD2-CE 3.43Å; D170-K290 IonicContact OD2-NZ 3.11Å; D170-K290 PolarHBondContact OD2-NZ 2.76Å; A246-K290 HydrophobicContact CB-CD 3.78Å; S248-K290 WeakPolarHBondContact OG-CB 3.4Å; S248-K290 WeakPolarHBondContact OG-CD 3.17Å; K290-D292 VanDerWaalsContact C-N 3.26Å; K290-D292 VanDerWaalsContact C-OD1 3.29Å; K290-D292 WeakPolarHBondContact CA-OD1 3.4Å; K290-D292 PolarHBondContact O-N 3.43Å; K290-L293 HydrophobicContact CB-CB 4.37Å; K290-L293 HydrophobicContact CB-CD1 4.37Å; K290-L293 HydrophobicContact CD-CD1 4.2Å; K290-L293 PolarHBondContact O-N 3.28Å; K290-L294 WeakPolarHBondContact O-CB 3.47Å; K290-L294 PolarHBondContact O-N 3.13Å; K290-T361 PolarHBondContact N-O 3.03Å
291	Q	98.2	Very high	96.2	Very high	26 Å²	26	31.5 Å²	31.5	12%	0.121	19%	0.187	C	C	.	.	H	α-helix	trans	-64.6	-31.4	177.9	-65.5	-59.4	-48.3	0	0	112.7	S247 L288 L294 A295 K335 F360 T361	S247-Q291 PolarHBondContact OG-NE2 3.13Å; L288-Q291 WeakPolarHBondContact O-CG 3.41Å; L288-Q291 PolarHBondContact O-NE2 2.85Å; Q291-L294 PolarHBondContact O-N 3.43Å; Q291-A295 WeakPolarHBondContact O-CB 3.29Å; Q291-A295 PolarHBondContact O-N 3.24Å; Q291-K335 VanDerWaalsContact OE1-CB 3.32Å; Q291-F360 HydrophobicContact CG-CB 4.04Å; Q291-T361 WeakPolarHBondContact CG-O 3.46Å; Q291-T361 PolarHBondContact N-O 3.47Å
292	D	95.5	Very high	96.5	Very high	56 Å²	56	33.3 Å²	33.3	30%	0.299	19%	0.187	S	C	.	.	H	α-helix	trans	-56.9	-54.4	171.4	57.1	-29.3	0	0	0	111.4	K290 L294 A295 E296	K290-D292 VanDerWaalsContact C-N 3.26Å; K290-D292 VanDerWaalsContact C-OD1 3.29Å; K290-D292 WeakPolarHBondContact CA-OD1 3.4Å; K290-D292 PolarHBondContact O-N 3.43Å; D292-L294 VanDerWaalsContact C-N 3.34Å; D292-L294 PolarHBondContact O-N 2.86Å; D292-A295 PolarHBondContact O-N 3.01Å; D292-E296 PolarHBondContact O-N 3.32Å; D292-E296 VanDerWaalsContact O-N 3.08Å
293	L	95.9	Very high	96.7	Very high	51 Å²	51	33.2 Å²	33.2	27%	0.267	19%	0.188	S	C	.	.	H	α-helix	trans	-70.8	-29.3	-179.9	-62.3	177.5	0	0	0	112.7	K290 K297	K290-L293 HydrophobicContact CB-CB 4.37Å; K290-L293 HydrophobicContact CB-CD1 4.37Å; K290-L293 HydrophobicContact CD-CD1 4.2Å; K290-L293 PolarHBondContact O-N 3.28Å; L293-K297 VanDerWaalsContact O-CB 3.28Å; L293-K297 WeakPolarHBondContact O-CB 3.4Å; L293-K297 PolarHBondContact O-N 2.8Å; L293-K297 VanDerWaalsContact O-N 3.13Å
294	L	98.3	Very high	97	Very high	0 Å²	0	37.8 Å²	37.8	0%	0	21%	0.207	C	C	.	.	H	α-helix	trans	-66.4	-47.3	174.2	177.2	63.3	0	0	0	110.1	Y250 K290 Q291 D292 K297 V298 K335 I338	Y250-L294 HydrophobicContact CD1-CD1 3.92Å; Y250-L294 HydrophobicContact CE1-CD1 3.78Å; K290-L294 WeakPolarHBondContact O-CB 3.47Å; K290-L294 PolarHBondContact O-N 3.13Å; Q291-L294 PolarHBondContact O-N 3.43Å; D292-L294 VanDerWaalsContact C-N 3.34Å; D292-L294 PolarHBondContact O-N 2.86Å; L294-K297 PolarHBondContact O-N 3.04Å; L294-V298 HydrophobicContact CD1-CG2 3.89Å; L294-V298 HydrophobicContact CG-CG2 4.34Å; L294-V298 WeakPolarHBondContact O-CB 3.47Å; L294-V298 VanDerWaalsContact O-CG2 3.23Å; L294-V298 WeakPolarHBondContact O-CG2 3.39Å; L294-V298 PolarHBondContact O-N 3.2Å; L294-K335 HydrophobicContact CD2-CB 3.84Å; L294-I338 HydrophobicContact CD1-CD1 4.08Å; L294-I338 HydrophobicContact CD2-CD1 4.02Å
295	A	97.8	Very high	97.1	Very high	25 Å²	25	38 Å²	38	21%	0.207	21%	0.207	C	C	.	.	H	α-helix	trans	-60	-49.9	178.6	0	0	0	0	0	111.2	Q291 D292 K297 V298 L299 V331	Q291-A295 WeakPolarHBondContact O-CB 3.29Å; Q291-A295 PolarHBondContact O-N 3.24Å; D292-A295 PolarHBondContact O-N 3.01Å; A295-K297 VanDerWaalsContact C-N 3.34Å; A295-K297 PolarHBondContact O-N 2.86Å; A295-V298 PolarHBondContact O-N 3.15Å; A295-L299 WeakPolarHBondContact O-CB 3.42Å; A295-L299 WeakPolarHBondContact O-CG 3.32Å; A295-L299 PolarHBondContact O-N 2.9Å; A295-V331 HydrophobicContact CB-CG1 3.77Å; A295-V331 HydrophobicContact CB-CG2 4.02Å
296	E	95.9	Very high	97.1	Very high	107 Å²	107	41.1 Å²	41.1	50%	0.5	22%	0.222	S	C	.	.	H	α-helix	trans	-54	-49.8	177.1	-175.9	-177.5	170.4	0	0	111.8	D292 L299 A300	D292-E296 PolarHBondContact O-N 3.32Å; D292-E296 VanDerWaalsContact O-N 3.08Å; E296-L299 PolarHBondContact O-N 3.24Å; E296-A300 VanDerWaalsContact O-CB 3.32Å; E296-A300 WeakPolarHBondContact O-CB 3.24Å; E296-A300 PolarHBondContact O-N 3.49Å
297	K	96.7	Very high	97.1	Very high	50 Å²	50	46.7 Å²	46.7	22%	0.217	25%	0.248	C	C	.	.	H	α-helix	trans	-67.6	-40.9	-176.5	-165.3	178.3	-72.9	-179.8	0	113.1	S248 Y250 N251 L293 L294 A295 G301	S248-K297 PolarHBondContact O-NZ 2.97Å; Y250-K297 HydrophobicContact CE1-CD 3.65Å; Y250-K297 HydrophobicContact CE1-CG 4.24Å; Y250-K297 HydrophobicContact CE2-CD 4.45Å; Y250-K297 WeakPolarHBondContact OH-CD 3.25Å; Y250-K297 VanDerWaalsContact OH-CG 3.3Å; Y250-K297 WeakPolarHBondContact OH-CG 3.19Å; N251-K297 PolarHBondContact OD1-NZ 3.42Å; L293-K297 VanDerWaalsContact O-CB 3.28Å; L293-K297 WeakPolarHBondContact O-CB 3.4Å; L293-K297 PolarHBondContact O-N 2.8Å; L293-K297 VanDerWaalsContact O-N 3.13Å; L294-K297 PolarHBondContact O-N 3.04Å; A295-K297 VanDerWaalsContact C-N 3.34Å; A295-K297 PolarHBondContact O-N 2.86Å; K297-G301 PolarHBondContact O-N 3.48Å
298	V	97.9	Very high	97.1	Very high	22 Å²	22	50.5 Å²	50.5	13%	0.133	26%	0.263	C	S	.	.	H	α-helix	trans	-65.6	-43.5	177.3	168.9	0	0	0	0	110.7	L294 A295 G301 I305 R330 V331 A334	L294-V298 HydrophobicContact CD1-CG2 3.89Å; L294-V298 HydrophobicContact CG-CG2 4.34Å; L294-V298 WeakPolarHBondContact O-CB 3.47Å; L294-V298 VanDerWaalsContact O-CG2 3.23Å; L294-V298 WeakPolarHBondContact O-CG2 3.39Å; L294-V298 PolarHBondContact O-N 3.2Å; A295-V298 PolarHBondContact O-N 3.15Å; V298-G301 PolarHBondContact O-N 3.39Å; V298-I305 HydrophobicContact CG2-CD1 4.15Å; V298-R330 HydrophobicContact CG1-CB 4.01Å; V298-V331 HydrophobicContact CG1-CG2 4.33Å; V298-A334 HydrophobicContact CG1-CB 4.3Å; V298-A334 HydrophobicContact CG2-CB 3.7Å
299	L	97.8	Very high	97	Very high	74 Å²	74	50.8 Å²	50.8	39%	0.387	26%	0.264	S	S	.	.	H	α-helix	trans	-70.6	-34	-179.6	-67.2	174.9	0	0	0	112.6	A295 E296 G301 D328 R330 V331	A295-L299 WeakPolarHBondContact O-CB 3.42Å; A295-L299 WeakPolarHBondContact O-CG 3.32Å; A295-L299 PolarHBondContact O-N 2.9Å; E296-L299 PolarHBondContact O-N 3.24Å; L299-G301 PolarHBondContact O-N 2.97Å; L299-D328 HydrophobicContact CD2-CB 3.78Å; L299-D328 WeakPolarHBondContact CD2-OD2 3.27Å; L299-R330 VanDerWaalsContact CD2-NH2 3.31Å; L299-V331 HydrophobicContact CD1-CG2 4.17Å; L299-V331 HydrophobicContact CD2-CG2 3.92Å; L299-V331 HydrophobicContact CG-CG2 3.8Å
300	A	96.2	Very high	97	Very high	59 Å²	59	54.7 Å²	54.7	49%	0.488	29%	0.29	S	S	.	.	H	α-helix	trans	-63.1	-28	174.5	0	0	0	0	0	112.6	E296 K302	E296-A300 VanDerWaalsContact O-CB 3.32Å; E296-A300 WeakPolarHBondContact O-CB 3.24Å; E296-A300 PolarHBondContact O-N 3.49Å; A300-K302 HydrophobicContact CB-CG 4.5Å; A300-K302 PolarHBondContact O-N 3.05Å; A300-K302 VanDerWaalsContact O-N 3.11Å
301	G	94.6	Very high	97	Very high	43 Å²	43	57.2 Å²	57.2	44%	0.443	30%	0.302	S	S	.	.			trans	67.9	9.3	173.3	0	0	0	0	0	115.6	K297 V298 L299	K297-G301 PolarHBondContact O-N 3.48Å; V298-G301 PolarHBondContact O-N 3.39Å; L299-G301 PolarHBondContact O-N 2.97Å
302	K	93.7	Very high	97	Very high	135 Å²	135	56.6 Å²	56.6	59%	0.587	30%	0.299	S	S	*	.	S	Bend	trans	-78.2	-33.8	-178.3	-63.2	-177.7	-176.3	177.6	0	113.8	E161 A300	E161-K302 IonicContact OE2-NZ 3.41Å; E161-K302 PolarHBondContact OE2-NZ 3.33Å; A300-K302 HydrophobicContact CB-CG 4.5Å; A300-K302 PolarHBondContact O-N 3.05Å; A300-K302 VanDerWaalsContact O-N 3.11Å
303	S	95.4	Very high	97.1	Very high	17 Å²	17	56.9 Å²	56.9	12%	0.119	31%	0.309	C	S	.	.	S	Bend	trans	-126.3	106	177.1	-59.8	0	0	0	0	109.2	Y250 N251	Y250-S303 WeakPolarHBondContact CE2-O 3.12Å; Y250-S303 PolarHBondContact OH-O 3.03Å; N251-S303 WeakPolarHBondContact ND2-CB 3.48Å; N251-S303 PolarHBondContact ND2-OG 3.45Å
304	K	97.6	Very high	97.2	Very high	106 Å²	106	64.5 Å²	64.5	46%	0.461	33%	0.334	S	S	.	.			trans	-83.6	141.2	-174.9	-63.7	-179	-179.9	177.9	0	110.5	E306 E307 Y308	K304-E306 VanDerWaalsContact C-N 3.26Å; K304-E306 HydrophobicContact CB-CG 4.14Å; K304-E306 PolarHBondContact O-N 3.17Å; K304-E307 HydrophobicContact CB-CG 4.11Å; K304-E307 PolarHBondContact N-OE2 3.02Å; K304-E307 WeakPolarHBondContact O-CB 3.43Å; K304-E307 PolarHBondContact O-N 3.21Å; K304-Y308 WeakPolarHBondContact O-CD2 3.43Å
305	I	98.4	Very high	97.2	Very high	5 Å²	5	66 Å²	66	3%	0.026	34%	0.34	C	S	.	.	G	3₁₀ helix	trans	-62.7	-38.3	-177.3	-66.8	172.9	0	0	0	110.4	Y250 V298 E307 Y308 F309 F312 A334 F337	Y250-I305 HydrophobicContact CD1-CG1 4.21Å; Y250-I305 HydrophobicContact CD2-CB 4.47Å; Y250-I305 HydrophobicContact CD2-CG1 3.86Å; Y250-I305 HydrophobicContact CE1-CD1 4.47Å; Y250-I305 HydrophobicContact CE1-CG1 4.03Å; Y250-I305 HydrophobicContact CE2-CB 4.45Å; Y250-I305 HydrophobicContact CE2-CG1 3.67Å; Y250-I305 HydrophobicContact CG-CG1 4.13Å; V298-I305 HydrophobicContact CG2-CD1 4.15Å; I305-E307 PolarHBondContact O-N 3.37Å; I305-E307 VanDerWaalsContact O-N 3.15Å; I305-Y308 PolarHBondContact O-N 2.85Å; I305-F309 HydrophobicContact CG2-CB 4.21Å; I305-F309 PolarHBondContact O-N 3.08Å; I305-F312 HydrophobicContact CB-CB 4.43Å; I305-F312 HydrophobicContact CB-CD1 3.61Å; I305-F312 HydrophobicContact CB-CE1 3.92Å; I305-F312 HydrophobicContact CB-CG 3.97Å; I305-F312 HydrophobicContact CD1-CE1 4.28Å; I305-F312 HydrophobicContact CD1-CE2 4.41Å; I305-F312 HydrophobicContact CD1-CZ 4.12Å; I305-F312 HydrophobicContact CG2-CB 3.76Å; I305-F312 HydrophobicContact CG2-CD1 3.85Å; I305-F312 HydrophobicContact CG2-CD2 4.14Å; I305-F312 HydrophobicContact CG2-CE1 4.45Å; I305-F312 HydrophobicContact CG2-CG 3.64Å; I305-A334 HydrophobicContact CD1-CB 3.48Å; I305-A334 VanDerWaalsContact CD1-CB 3.48Å; I305-F337 HydrophobicContact CG2-CD1 4.02Å; I305-F337 HydrophobicContact CG2-CE1 3.89Å
306	E	98.1	Very high	97.2	Very high	67 Å²	67	70.1 Å²	70.1	31%	0.313	36%	0.363	S	S	.	.	G	3₁₀ helix	trans	-63.3	-16.4	179.7	59.8	-93.9	-143.1	0	0	115	K304 Y308 F309 P310 F312 A313	K304-E306 VanDerWaalsContact C-N 3.26Å; K304-E306 HydrophobicContact CB-CG 4.14Å; K304-E306 PolarHBondContact O-N 3.17Å; E306-Y308 VanDerWaalsContact C-N 3.29Å; E306-F309 WeakPolarHBondContact CA-O 3.26Å; E306-P310 WeakPolarHBondContact O-CA 3.49Å; E306-F312 HydrophobicContact CB-CB 4.45Å; E306-F312 HydrophobicContact CB-CD1 4.33Å; E306-F312 VanDerWaalsContact OE2-CD1 3.32Å; E306-F312 WeakPolarHBondContact OE2-CD1 3.04Å; E306-A313 HydrophobicContact CB-CB 4.12Å
307	E	97.8	Very high	97.3	Very high	117 Å²	117	67.6 Å²	67.6	55%	0.547	36%	0.355	S	S	.	.	G	3₁₀ helix	trans	-74.1	-24.6	172.7	-67.2	166	178	0	0	111.9	K304 I305	K304-E307 HydrophobicContact CB-CG 4.11Å; K304-E307 PolarHBondContact N-OE2 3.02Å; K304-E307 WeakPolarHBondContact O-CB 3.43Å; K304-E307 PolarHBondContact O-N 3.21Å; I305-E307 PolarHBondContact O-N 3.37Å; I305-E307 VanDerWaalsContact O-N 3.15Å
308	Y	98.1	Very high	97.2	Very high	82 Å²	82	66.7 Å²	66.7	32%	0.322	35%	0.354	S	S	.	.	T	Hydrogen-bonded Turn	trans	-107.8	-32.2	-179.1	-58.1	-88.4	0	0	0	112.2	Y250 N251 K304 I305 E306	Y250-Y308 HydrophobicContact CD2-CD2 4.11Å; Y250-Y308 HydrophobicContact CE2-CD2 4.37Å; N251-Y308 HydrophobicContact CB-CD1 4.48Å; N251-Y308 HydrophobicContact CB-CD2 3.99Å; N251-Y308 HydrophobicContact CB-CE1 3.96Å; N251-Y308 HydrophobicContact CB-CE2 3.42Å; N251-Y308 VanDerWaalsContact CB-CE2 3.42Å; N251-Y308 HydrophobicContact CB-CG 4.5Å; K304-Y308 WeakPolarHBondContact O-CD2 3.43Å; I305-Y308 PolarHBondContact O-N 2.85Å; E306-Y308 VanDerWaalsContact C-N 3.29Å
309	F	98.3	Very high	97	Very high	6 Å²	6	74 Å²	74	3%	0.026	39%	0.392	C	S	.	.			trans	-131.8	82	-178.9	-67.2	-88.5	0	0	0	109.3	L263 L267 I305 E306 E311 F312 F337	L263-F309 HydrophobicContact CB-CE2 4.11Å; L263-F309 HydrophobicContact CB-CZ 3.83Å; L263-F309 HydrophobicContact CD2-CD2 4.44Å; L263-F309 HydrophobicContact CD2-CE1 4.49Å; L263-F309 HydrophobicContact CD2-CE2 3.78Å; L263-F309 HydrophobicContact CD2-CZ 3.81Å; L263-F309 HydrophobicContact CG-CE2 4.26Å; L263-F309 HydrophobicContact CG-CZ 3.87Å; L267-F309 HydrophobicContact CD1-CE1 4.24Å; I305-F309 HydrophobicContact CG2-CB 4.21Å; I305-F309 PolarHBondContact O-N 3.08Å; E306-F309 WeakPolarHBondContact CA-O 3.26Å; F309-E311 WeakPolarHBondContact CD1-OE1 3.31Å; F309-E311 PolarHBondContact O-N 3.1Å; F309-F312 VanDerWaalsContact O-CB 3.25Å; F309-F312 WeakPolarHBondContact O-CB 3.39Å; F309-F312 PolarHBondContact O-N 3.23Å; F309-F337 HydrophobicContact CB-CE1 3.85Å; F309-F337 HydrophobicContact CB-CZ 3.85Å; F309-F337 HydrophobicContact CG-CE1 4.23Å; F309-F337 HydrophobicContact CG-CZ 4.44Å
310	P	98.3	Very high	96.7	Very high	87 Å²	87	75.6 Å²	75.6	57%	0.565	40%	0.401	S	S	*	.	G	3₁₀ helix	trans	-56.5	-28	-170.6	-27.7	36.2	0	0	0	115	E306 F312 A313	E306-P310 WeakPolarHBondContact O-CA 3.49Å; P310-F312 PolarHBondContact O-N 3.23Å; P310-A313 WeakPolarHBondContact O-CB 3.41Å; P310-A313 PolarHBondContact O-N 3.36Å
311	E	97.4	Very high	96.7	Very high	66 Å²	66	73.7 Å²	73.7	31%	0.308	39%	0.386	S	S	.	.	G	3₁₀ helix	trans	-59.9	-25.2	174.8	62.5	-82.7	-171.1	0	0	113.4	F309 A313 R314 Y315 F337	F309-E311 WeakPolarHBondContact CD1-OE1 3.31Å; F309-E311 PolarHBondContact O-N 3.1Å; E311-A313 PolarHBondContact O-N 2.99Å; E311-R314 PolarHBondContact O-N 3.17Å; E311-Y315 PolarHBondContact O-N 2.8Å; E311-F337 HydrophobicContact CG-CE2 3.64Å; E311-F337 HydrophobicContact CG-CZ 3.69Å
312	F	98.4	Very high	96.7	Very high	13 Å²	13	76.7 Å²	76.7	6%	0.057	40%	0.396	C	S	.	.	G	3₁₀ helix	trans	-59.1	-32.4	175.6	-177.6	-112.7	0	0	0	112.3	I305 E306 F309 P310 R314 Y315 R333 A334 F337	I305-F312 HydrophobicContact CB-CB 4.43Å; I305-F312 HydrophobicContact CB-CD1 3.61Å; I305-F312 HydrophobicContact CB-CE1 3.92Å; I305-F312 HydrophobicContact CB-CG 3.97Å; I305-F312 HydrophobicContact CD1-CE1 4.28Å; I305-F312 HydrophobicContact CD1-CE2 4.41Å; I305-F312 HydrophobicContact CD1-CZ 4.12Å; I305-F312 HydrophobicContact CG2-CB 3.76Å; I305-F312 HydrophobicContact CG2-CD1 3.85Å; I305-F312 HydrophobicContact CG2-CD2 4.14Å; I305-F312 HydrophobicContact CG2-CE1 4.45Å; I305-F312 HydrophobicContact CG2-CG 3.64Å; E306-F312 HydrophobicContact CB-CB 4.45Å; E306-F312 HydrophobicContact CB-CD1 4.33Å; E306-F312 VanDerWaalsContact OE2-CD1 3.32Å; E306-F312 WeakPolarHBondContact OE2-CD1 3.04Å; F309-F312 VanDerWaalsContact O-CB 3.25Å; F309-F312 WeakPolarHBondContact O-CB 3.39Å; F309-F312 PolarHBondContact O-N 3.23Å; P310-F312 PolarHBondContact O-N 3.23Å; F312-R314 PolarHBondContact O-N 2.83Å; F312-R314 VanDerWaalsContact O-N 3.15Å; F312-Y315 HydrophobicContact CD2-CD1 4.4Å; F312-Y315 HydrophobicContact CE2-CD1 4.35Å; F312-Y315 WeakPolarHBondContact O-CB 3.05Å; F312-Y315 PolarHBondContact O-N 3.4Å; F312-R333 HydrophobicContact CE2-CG 3.92Å; F312-R333 HydrophobicContact CZ-CG 4.05Å; F312-R333 PolarHBondContact O-NH2 3Å; F312-A334 HydrophobicContact CZ-CB 4.33Å; F312-F337 HydrophobicContact CB-CD1 4.28Å; F312-F337 HydrophobicContact CB-CD2 4.4Å; F312-F337 HydrophobicContact CB-CE1 4.1Å; F312-F337 HydrophobicContact CB-CE2 4.23Å; F312-F337 HydrophobicContact CB-CG 4.43Å; F312-F337 HydrophobicContact CB-CZ 4.08Å; F312-F337 HydrophobicContact CD2-CB 3.55Å; F312-F337 AromaticContact CD2-CD1 3.61Å; F312-F337 HydrophobicContact CD2-CD1 3.61Å; F312-F337 AromaticContact CD2-CD2 3.85Å; F312-F337 HydrophobicContact CD2-CD2 3.85Å; F312-F337 HydrophobicContact CD2-CE1 4.28Å; F312-F337 HydrophobicContact CD2-CE2 4.49Å; F312-F337 AromaticContact CD2-CG 3.37Å; F312-F337 HydrophobicContact CD2-CG 3.37Å; F312-F337 HydrophobicContact CE2-CB 3.68Å; F312-F337 HydrophobicContact CE2-CD1 4.31Å; F312-F337 HydrophobicContact CE2-CG 4.02Å; F312-F337 HydrophobicContact CG-CD1 4.26Å; F312-F337 HydrophobicContact CG-CG 4.32Å
313	A	97.8	Very high	96.7	Very high	63 Å²	63	73.7 Å²	73.7	52%	0.521	39%	0.39	S	S	.	.	G	3₁₀ helix	trans	-57.5	-32.5	177.9	0	0	0	0	0	112.3	E306 P310 E311 R333	E306-A313 HydrophobicContact CB-CB 4.12Å; P310-A313 WeakPolarHBondContact O-CB 3.41Å; P310-A313 PolarHBondContact O-N 3.36Å; E311-A313 PolarHBondContact O-N 2.99Å; A313-R333 PolarHBondContact O-NH2 3.45Å
314	R	97.7	Very high	96.5	Very high	211 Å²	211	78.8 Å²	78.8	80%	0.796	41%	0.412	S	S	*	.	G	3₁₀ helix	trans	-97.8	-4.3	179.4	-64.3	-178	-70.2	-157.2	-2.7	113.4	E311 F312	E311-R314 PolarHBondContact O-N 3.17Å; F312-R314 PolarHBondContact O-N 2.83Å; F312-R314 VanDerWaalsContact O-N 3.15Å
315	Y	98.3	Very high	96.3	Very high	31 Å²	31	79.8 Å²	79.8	12%	0.122	43%	0.429	C	S	.	.			trans	-73.2	133.4	-178.5	-179.5	-98	0	0	0	111.1	E311 F312 P318 R333 Y336 F337 D340	E311-Y315 PolarHBondContact O-N 2.8Å; F312-Y315 HydrophobicContact CD2-CD1 4.4Å; F312-Y315 HydrophobicContact CE2-CD1 4.35Å; F312-Y315 WeakPolarHBondContact O-CB 3.05Å; F312-Y315 PolarHBondContact O-N 3.4Å; Y315-P318 WeakPolarHBondContact OH-CD 3.29Å; Y315-R333 HydrophobicContact CD1-CG 3.9Å; Y315-R333 HydrophobicContact CE1-CG 4.23Å; Y315-R333 WeakPolarHBondContact CE1-O 3.48Å; Y315-R333 VanDerWaalsContact O-CZ 3.29Å; Y315-R333 PolarHBondContact O-NE 3.21Å; Y315-R333 PolarHBondContact O-NH2 3.32Å; Y315-Y336 WeakPolarHBondContact OH-CB 3.48Å; Y315-Y336 PolarHBondContact OH-O 2.98Å; Y315-F337 HydrophobicContact CD1-CB 3.71Å; Y315-F337 HydrophobicContact CD1-CD2 4.29Å; Y315-F337 HydrophobicContact CD1-CG 4.46Å; Y315-F337 HydrophobicContact CD2-CB 4.42Å; Y315-F337 AromaticContact CD2-CD2 3.81Å; Y315-F337 HydrophobicContact CD2-CD2 3.81Å; Y315-F337 HydrophobicContact CE1-CB 3.74Å; Y315-F337 HydrophobicContact CE2-CB 4.44Å; Y315-F337 HydrophobicContact CE2-CD2 4.37Å; Y315-F337 HydrophobicContact CG-CB 4.06Å; Y315-F337 AromaticContact CG-CD2 3.75Å; Y315-F337 HydrophobicContact CG-CD2 3.75Å; Y315-F337 HydrophobicContact CG-CG 4.36Å; Y315-F337 PolarHBondContact OH-N 3.47Å; Y315-D340 HydrophobicContact CE2-CB 4.22Å; Y315-D340 WeakPolarHBondContact CE2-OD2 3.46Å; Y315-D340 PolarHBondContact OH-OD2 3.11Å
316	T	97.3	Very high	96	Very high	111 Å²	111	83.7 Å²	83.7	68%	0.681	47%	0.471	S	S	*	.			trans	-111.7	136.5	173.8	51.5	0	0	0	0	109.2
317	T	97.2	Very high	95.9	Very high	54 Å²	54	82.9 Å²	82.9	33%	0.331	47%	0.467	S	S	.	.			trans	-56.7	131.3	173.7	-51.3	0	0	0	0	109.3	A321 T332 R333	T317-A321 HydrophobicContact CG2-CB 3.73Å; T317-T332 HydrophobicContact CG2-CG2 4.07Å; T317-R333 WeakPolarHBondContact OG1-CB 3.5Å
318	P	95.6	Very high	95.9	Very high	32 Å²	32	79.6 Å²	79.6	21%	0.208	45%	0.453	C	S	.	.			trans	-74.4	152.2	-177.9	30.4	-34.8	0	0	0	111.2	Y315 D320 A321 Y336	Y315-P318 WeakPolarHBondContact OH-CD 3.29Å; P318-D320 VanDerWaalsContact CB-OD1 3.29Å; P318-D320 WeakPolarHBondContact CB-OD1 3.49Å; P318-D320 WeakPolarHBondContact CG-OD1 3.49Å; P318-D320 PolarHBondContact O-N 3.5Å; P318-A321 HydrophobicContact CG-CB 4.26Å; P318-A321 WeakPolarHBondContact O-CB 3.08Å; P318-A321 PolarHBondContact O-N 3.2Å; P318-A321 VanDerWaalsContact O-N 3.08Å; P318-Y336 HydrophobicContact CG-CD1 3.76Å; P318-Y336 HydrophobicContact CG-CE1 4.45Å
319	D	92.9	Very high	95.9	Very high	174 Å²	174	80.4 Å²	80.4	93%	0.93	47%	0.469	S	S	*	.	T	Hydrogen-bonded Turn	trans	-66.3	-23.3	-176.9	-62.8	-34.6	0	0	0	113	A321	D319-A321 PolarHBondContact O-N 3.28Å
320	D	92.4	Very high	95.9	Very high	108 Å²	108	86.5 Å²	86.5	58%	0.578	49%	0.492	S	S	*	.	T	Hydrogen-bonded Turn	trans	-84.3	4.4	176.7	75.6	-24.5	0	0	0	113.2	P318 T322 R339	P318-D320 VanDerWaalsContact CB-OD1 3.29Å; P318-D320 WeakPolarHBondContact CB-OD1 3.49Å; P318-D320 WeakPolarHBondContact CG-OD1 3.49Å; P318-D320 PolarHBondContact O-N 3.5Å; D320-T322 PolarHBondContact O-N 3.3Å; D320-R339 IonicContact OD1-NH2 3.42Å
321	A	95.3	Very high	95.9	Very high	20 Å²	20	82.7 Å²	82.7	17%	0.165	47%	0.466	C	S	.	.			trans	-65.4	127.1	178.2	0	0	0	0	0	111.5	T317 P318 D319 P323 T332 Y336	T317-A321 HydrophobicContact CG2-CB 3.73Å; P318-A321 HydrophobicContact CG-CB 4.26Å; P318-A321 WeakPolarHBondContact O-CB 3.08Å; P318-A321 PolarHBondContact O-N 3.2Å; P318-A321 VanDerWaalsContact O-N 3.08Å; D319-A321 PolarHBondContact O-N 3.28Å; A321-P323 WeakPolarHBondContact O-CD 3.32Å; A321-T332 HydrophobicContact CB-CG2 4.4Å; A321-Y336 VanDerWaalsContact CA-CE1 3.49Å; A321-Y336 HydrophobicContact CB-CD1 3.9Å; A321-Y336 HydrophobicContact CB-CD2 4.35Å; A321-Y336 HydrophobicContact CB-CE1 3.56Å; A321-Y336 HydrophobicContact CB-CE2 4.02Å; A321-Y336 HydrophobicContact CB-CG 4.31Å
322	T	94.4	Very high	95.9	Very high	105 Å²	105	79.9 Å²	79.9	64%	0.644	45%	0.454	S	S	*	.			trans	-104.5	89	172	52.7	0	0	0	0	109.5	D320 Y336	D320-T322 PolarHBondContact O-N 3.3Å; T322-Y336 PolarHBondContact N-OH 3.33Å; T322-Y336 PolarHBondContact O-OH 3.2Å; T322-Y336 PolarHBondContact OG1-OH 3.01Å
323	P	93.8	Very high	95.9	Very high	72 Å²	72	82.6 Å²	82.6	47%	0.468	46%	0.464	S	S	.	.	P	Polyproline II helix	trans	-69.5	149.3	173.3	28.9	-34	0	0	0	110.8	A321 E327 T332	A321-P323 WeakPolarHBondContact O-CD 3.32Å; P323-E327 HydrophobicContact CB-CB 4.41Å; P323-T332 HydrophobicContact CB-CG2 4Å
324	E	92.1	Very high	95.9	Very high	125 Å²	125	79.6 Å²	79.6	58%	0.584	44%	0.439	S	S	*	.	P	Polyproline II helix	trans	-68.7	151.4	171.4	-67.4	-68.9	165.4	0	0	110.2	G326 E327	E324-G326 PolarHBondContact O-N 2.92Å; E324-G326 VanDerWaalsContact O-N 3.15Å; E324-E327 HydrophobicContact CB-CB 4.27Å; E324-E327 VanDerWaalsContact O-CB 3.24Å; E324-E327 WeakPolarHBondContact O-CB 3.23Å; E324-E327 PolarHBondContact O-N 2.84Å
325	P	92.4	Very high	96	Very high	126 Å²	126	69.9 Å²	69.9	82%	0.818	40%	0.402	S	S	*	.	T	Hydrogen-bonded Turn	trans	-55.2	121.7	176.5	-25	34.4	0	0	0	111.9	E327	P325-E327 VanDerWaalsContact C-N 3.34Å
326	G	92.6	Very high	96	Very high	88 Å²	88	68.6 Å²	68.6	91%	0.907	40%	0.397	S	S	*	.	T	Hydrogen-bonded Turn	trans	81.3	6.5	-179.1	0	0	0	0	0	115.2	E324	E324-G326 PolarHBondContact O-N 2.92Å; E324-G326 VanDerWaalsContact O-N 3.15Å
327	E	95.8	Very high	96.1	Very high	49 Å²	49	63.4 Å²	63.4	23%	0.229	37%	0.365	C	S	.	.			trans	-68.8	134.4	175.2	-170.7	173.4	93.1	0	0	111.7	P323 E324 P325 V331 T332 K335	P323-E327 HydrophobicContact CB-CB 4.41Å; E324-E327 HydrophobicContact CB-CB 4.27Å; E324-E327 VanDerWaalsContact O-CB 3.24Å; E324-E327 WeakPolarHBondContact O-CB 3.23Å; E324-E327 PolarHBondContact O-N 2.84Å; P325-E327 VanDerWaalsContact C-N 3.34Å; E327-V331 HydrophobicContact CG-CB 4.18Å; E327-V331 HydrophobicContact CG-CG1 4.23Å; E327-T332 WeakPolarHBondContact OE1-CA 3.39Å; E327-T332 WeakPolarHBondContact OE1-CB 3.42Å; E327-T332 PolarHBondContact OE1-OG1 2.95Å; E327-K335 WeakPolarHBondContact OE1-CE 3.41Å; E327-K335 IonicContact OE1-NZ 3.73Å; E327-K335 PolarHBondContact OE1-NZ 2.81Å; E327-K335 IonicContact OE2-NZ 2.76Å; E327-K335 PolarHBondContact OE2-NZ 3.38Å
328	D	97.8	Very high	96.1	Very high	48 Å²	48	60.9 Å²	60.9	26%	0.257	35%	0.35	S	S	.	.			trans	-68.6	132.2	176.4	-172.5	-61.3	0	0	0	110.4	L299 R330 V331 T332	L299-D328 HydrophobicContact CD2-CB 3.78Å; L299-D328 WeakPolarHBondContact CD2-OD2 3.27Å; D328-R330 PolarHBondContact O-N 2.92Å; D328-R330 WeakPolarHBondContact OD1-CB 3.43Å; D328-R330 VanDerWaalsContact OD1-CG 3.3Å; D328-R330 WeakPolarHBondContact OD1-CG 3.34Å; D328-R330 IonicContact OD1-CZ 3.63Å; D328-R330 PolarHBondContact OD1-N 3.29Å; D328-R330 IonicContact OD1-NE 2.97Å; D328-R330 PolarHBondContact OD1-NE 3.1Å; D328-R330 IonicContact OD1-NH2 3.1Å; D328-R330 IonicContact OD2-CZ 3.77Å; D328-R330 IonicContact OD2-NE 3.27Å; D328-R330 PolarHBondContact OD2-NE 3.02Å; D328-R330 IonicContact OD2-NH2 2.61Å; D328-R330 PolarHBondContact OD2-NH2 3.45Å; D328-V331 HydrophobicContact CB-CG2 4.19Å; D328-V331 WeakPolarHBondContact O-CA 3.38Å; D328-V331 WeakPolarHBondContact O-CB 3.34Å; D328-V331 PolarHBondContact O-N 2.82Å; D328-T332 PolarHBondContact O-N 2.71Å; D328-T332 VanDerWaalsContact O-N 3.12Å; D328-T332 PolarHBondContact O-OG1 2.95Å
329	P	97.8	Very high	96.3	Very high	100 Å²	100	60.8 Å²	60.8	65%	0.649	35%	0.345	S	S	*	.	H	α-helix	trans	-54.3	-28.4	-179.8	-28.2	35.1	0	0	0	114.6	V331 T332 R333	P329-V331 VanDerWaalsContact C-N 3.35Å; P329-T332 PolarHBondContact O-N 3.35Å; P329-R333 WeakPolarHBondContact O-CB 3.5Å; P329-R333 PolarHBondContact O-N 3.3Å
330	R	97.9	Very high	96.5	Very high	134 Å²	134	54 Å²	54	51%	0.506	31%	0.309	S	S	.	.	H	α-helix	trans	-65.2	-39.8	175.4	-63	173.6	-72.2	172.1	-4.8	111.4	V298 L299 D328 A334	V298-R330 HydrophobicContact CG1-CB 4.01Å; L299-R330 VanDerWaalsContact CD2-NH2 3.31Å; D328-R330 PolarHBondContact O-N 2.92Å; D328-R330 WeakPolarHBondContact OD1-CB 3.43Å; D328-R330 VanDerWaalsContact OD1-CG 3.3Å; D328-R330 WeakPolarHBondContact OD1-CG 3.34Å; D328-R330 IonicContact OD1-CZ 3.63Å; D328-R330 PolarHBondContact OD1-N 3.29Å; D328-R330 IonicContact OD1-NE 2.97Å; D328-R330 PolarHBondContact OD1-NE 3.1Å; D328-R330 IonicContact OD1-NH2 3.1Å; D328-R330 IonicContact OD2-CZ 3.77Å; D328-R330 IonicContact OD2-NE 3.27Å; D328-R330 PolarHBondContact OD2-NE 3.02Å; D328-R330 IonicContact OD2-NH2 2.61Å; D328-R330 PolarHBondContact OD2-NH2 3.45Å; R330-A334 WeakPolarHBondContact O-CB 3.46Å; R330-A334 PolarHBondContact O-N 3.04Å
331	V	98.3	Very high	96.8	Very high	6 Å²	6	49.6 Å²	49.6	4%	0.036	29%	0.285	C	S	.	.	H	α-helix	trans	-70.6	-43.8	177.3	179.4	0	0	0	0	110	A295 V298 L299 E327 D328 P329 R333 A334 K335	A295-V331 HydrophobicContact CB-CG1 3.77Å; A295-V331 HydrophobicContact CB-CG2 4.02Å; V298-V331 HydrophobicContact CG1-CG2 4.33Å; L299-V331 HydrophobicContact CD1-CG2 4.17Å; L299-V331 HydrophobicContact CD2-CG2 3.92Å; L299-V331 HydrophobicContact CG-CG2 3.8Å; E327-V331 HydrophobicContact CG-CB 4.18Å; E327-V331 HydrophobicContact CG-CG1 4.23Å; D328-V331 HydrophobicContact CB-CG2 4.19Å; D328-V331 WeakPolarHBondContact O-CA 3.38Å; D328-V331 WeakPolarHBondContact O-CB 3.34Å; D328-V331 PolarHBondContact O-N 2.82Å; P329-V331 VanDerWaalsContact C-N 3.35Å; V331-R333 PolarHBondContact O-N 2.89Å; V331-A334 PolarHBondContact O-N 3.5Å; V331-K335 PolarHBondContact O-N 3.19Å
332	T	98.4	Very high	97	Very high	7 Å²	7	48.7 Å²	48.7	4%	0.043	28%	0.277	C	S	.	.	H	α-helix	trans	-56.9	-51.2	174.5	-49.5	0	0	0	0	110.7	T317 A321 P323 E327 D328 P329 A334 K335 Y336	T317-T332 HydrophobicContact CG2-CG2 4.07Å; A321-T332 HydrophobicContact CB-CG2 4.4Å; P323-T332 HydrophobicContact CB-CG2 4Å; E327-T332 WeakPolarHBondContact OE1-CA 3.39Å; E327-T332 WeakPolarHBondContact OE1-CB 3.42Å; E327-T332 PolarHBondContact OE1-OG1 2.95Å; D328-T332 PolarHBondContact O-N 2.71Å; D328-T332 VanDerWaalsContact O-N 3.12Å; D328-T332 PolarHBondContact O-OG1 2.95Å; P329-T332 PolarHBondContact O-N 3.35Å; T332-A334 VanDerWaalsContact C-N 3.32Å; T332-A334 PolarHBondContact O-N 3.37Å; T332-K335 WeakPolarHBondContact O-CG 3.34Å; T332-K335 PolarHBondContact O-N 2.64Å; T332-Y336 HydrophobicContact CG2-CD2 3.78Å; T332-Y336 HydrophobicContact CG2-CE2 3.88Å; T332-Y336 WeakPolarHBondContact O-CB 3.35Å; T332-Y336 WeakPolarHBondContact O-CD2 3.4Å; T332-Y336 PolarHBondContact O-N 2.91Å
333	R	98.5	Very high	97.1	Very high	71 Å²	71	45.5 Å²	45.5	27%	0.268	26%	0.256	S	S	.	.	H	α-helix	trans	-57.2	-45.1	177.7	-173.2	-178.6	174.2	-133	6.4	112	F312 A313 Y315 T317 P329 V331 F337	F312-R333 HydrophobicContact CE2-CG 3.92Å; F312-R333 HydrophobicContact CZ-CG 4.05Å; F312-R333 PolarHBondContact O-NH2 3Å; A313-R333 PolarHBondContact O-NH2 3.45Å; Y315-R333 HydrophobicContact CD1-CG 3.9Å; Y315-R333 HydrophobicContact CE1-CG 4.23Å; Y315-R333 WeakPolarHBondContact CE1-O 3.48Å; Y315-R333 VanDerWaalsContact O-CZ 3.29Å; Y315-R333 PolarHBondContact O-NE 3.21Å; Y315-R333 PolarHBondContact O-NH2 3.32Å; T317-R333 WeakPolarHBondContact OG1-CB 3.5Å; P329-R333 WeakPolarHBondContact O-CB 3.5Å; P329-R333 PolarHBondContact O-N 3.3Å; V331-R333 PolarHBondContact O-N 2.89Å; R333-F337 WeakPolarHBondContact O-CB 3.33Å; R333-F337 PolarHBondContact O-N 3.44Å
334	A	98.6	Very high	97.2	Very high	0 Å²	0	48.2 Å²	48.2	0%	0	26%	0.257	C	S	.	.	H	α-helix	trans	-62.9	-50.3	179.9	0	0	0	0	0	113	V298 I305 F312 R330 V331 T332 Y336 F337 I338	V298-A334 HydrophobicContact CG1-CB 4.3Å; V298-A334 HydrophobicContact CG2-CB 3.7Å; I305-A334 HydrophobicContact CD1-CB 3.48Å; I305-A334 VanDerWaalsContact CD1-CB 3.48Å; F312-A334 HydrophobicContact CZ-CB 4.33Å; R330-A334 WeakPolarHBondContact O-CB 3.46Å; R330-A334 PolarHBondContact O-N 3.04Å; V331-A334 PolarHBondContact O-N 3.5Å; T332-A334 VanDerWaalsContact C-N 3.32Å; T332-A334 PolarHBondContact O-N 3.37Å; A334-Y336 VanDerWaalsContact C-N 3.35Å; A334-Y336 PolarHBondContact O-N 3.12Å; A334-F337 PolarHBondContact O-N 3.31Å; A334-I338 WeakPolarHBondContact O-CG1 3.38Å; A334-I338 PolarHBondContact O-N 3.11Å
335	K	98.2	Very high	97.4	Very high	6 Å²	6	43.6 Å²	43.6	3%	0.026	24%	0.236	C	C	.	.	H	α-helix	trans	-67.3	-37.2	-177.7	75.6	-177.2	-169.6	-176.7	0	111.9	Q291 L294 E327 V331 T332 I338 R339 F360	Q291-K335 VanDerWaalsContact OE1-CB 3.32Å; L294-K335 HydrophobicContact CD2-CB 3.84Å; E327-K335 WeakPolarHBondContact OE1-CE 3.41Å; E327-K335 IonicContact OE1-NZ 3.73Å; E327-K335 PolarHBondContact OE1-NZ 2.81Å; E327-K335 IonicContact OE2-NZ 2.76Å; E327-K335 PolarHBondContact OE2-NZ 3.38Å; V331-K335 PolarHBondContact O-N 3.19Å; T332-K335 WeakPolarHBondContact O-CG 3.34Å; T332-K335 PolarHBondContact O-N 2.64Å; K335-I338 PolarHBondContact O-N 3.38Å; K335-R339 PolarHBondContact O-N 3.26Å; K335-F360 HydrophobicContact CB-CD1 4.07Å; K335-F360 HydrophobicContact CB-CE1 3.69Å; K335-F360 HydrophobicContact CB-CZ 4.35Å; K335-F360 HydrophobicContact CD-CD1 4.02Å; K335-F360 HydrophobicContact CD-CD2 4.34Å; K335-F360 HydrophobicContact CD-CE1 4.01Å; K335-F360 HydrophobicContact CD-CE2 4.32Å; K335-F360 HydrophobicContact CD-CG 4.19Å; K335-F360 HydrophobicContact CD-CZ 4.16Å; K335-F360 HydrophobicContact CG-CD1 4.12Å; K335-F360 HydrophobicContact CG-CE1 3.64Å; K335-F360 HydrophobicContact CG-CE2 4.43Å; K335-F360 HydrophobicContact CG-CZ 3.81Å; K335-F360 WeakPolarHBondContact O-CE1 3.44Å
336	Y	98.6	Very high	97.5	Very high	4 Å²	4	38.1 Å²	38.1	2%	0.016	20%	0.201	C	C	.	.	H	α-helix	trans	-71.6	-35.4	177.6	-84.2	-101.7	0	0	0	112.5	Y315 P318 A321 T322 T332 A334 I338 R339 D340 F360	Y315-Y336 WeakPolarHBondContact OH-CB 3.48Å; Y315-Y336 PolarHBondContact OH-O 2.98Å; P318-Y336 HydrophobicContact CG-CD1 3.76Å; P318-Y336 HydrophobicContact CG-CE1 4.45Å; A321-Y336 VanDerWaalsContact CA-CE1 3.49Å; A321-Y336 HydrophobicContact CB-CD1 3.9Å; A321-Y336 HydrophobicContact CB-CD2 4.35Å; A321-Y336 HydrophobicContact CB-CE1 3.56Å; A321-Y336 HydrophobicContact CB-CE2 4.02Å; A321-Y336 HydrophobicContact CB-CG 4.31Å; T322-Y336 PolarHBondContact N-OH 3.33Å; T322-Y336 PolarHBondContact O-OH 3.2Å; T322-Y336 PolarHBondContact OG1-OH 3.01Å; T332-Y336 HydrophobicContact CG2-CD2 3.78Å; T332-Y336 HydrophobicContact CG2-CE2 3.88Å; T332-Y336 WeakPolarHBondContact O-CB 3.35Å; T332-Y336 WeakPolarHBondContact O-CD2 3.4Å; T332-Y336 PolarHBondContact O-N 2.91Å; A334-Y336 VanDerWaalsContact C-N 3.35Å; A334-Y336 PolarHBondContact O-N 3.12Å; Y336-I338 PolarHBondContact O-N 3Å; Y336-R339 VanDerWaalsContact CE1-CZ 3.49Å; Y336-R339 WeakPolarHBondContact O-CB 3.4Å; Y336-R339 PolarHBondContact O-N 2.81Å; Y336-D340 WeakPolarHBondContact O-CB 3.27Å; Y336-D340 PolarHBondContact O-N 2.96Å; Y336-F360 HydrophobicContact CD1-CZ 4.49Å; Y336-F360 HydrophobicContact CD2-CE2 4.17Å; Y336-F360 AromaticContact CD2-CZ 3.85Å; Y336-F360 HydrophobicContact CD2-CZ 3.85Å; Y336-F360 HydrophobicContact CE1-CE2 4.37Å; Y336-F360 HydrophobicContact CE1-CZ 4.44Å; Y336-F360 AromaticContact CE2-CE2 3.66Å; Y336-F360 HydrophobicContact CE2-CE2 3.66Å; Y336-F360 AromaticContact CE2-CZ 3.83Å; Y336-F360 HydrophobicContact CE2-CZ 3.83Å; Y336-F360 HydrophobicContact CG-CZ 4.18Å; Y336-F360 AromaticContact CZ-CE2 3.73Å
337	F	98.8	Very high	97.5	Very high	2 Å²	2	38.6 Å²	38.6	1%	0.009	19%	0.186	C	C	.	.	H	α-helix	trans	-55.8	-51.8	170	168.7	-108.8	0	0	0	111.4	I305 F309 E311 F312 Y315 R333 A334 R339 D340 E341	I305-F337 HydrophobicContact CG2-CD1 4.02Å; I305-F337 HydrophobicContact CG2-CE1 3.89Å; F309-F337 HydrophobicContact CB-CE1 3.85Å; F309-F337 HydrophobicContact CB-CZ 3.85Å; F309-F337 HydrophobicContact CG-CE1 4.23Å; F309-F337 HydrophobicContact CG-CZ 4.44Å; E311-F337 HydrophobicContact CG-CE2 3.64Å; E311-F337 HydrophobicContact CG-CZ 3.69Å; F312-F337 HydrophobicContact CB-CD1 4.28Å; F312-F337 HydrophobicContact CB-CD2 4.4Å; F312-F337 HydrophobicContact CB-CE1 4.1Å; F312-F337 HydrophobicContact CB-CE2 4.23Å; F312-F337 HydrophobicContact CB-CG 4.43Å; F312-F337 HydrophobicContact CB-CZ 4.08Å; F312-F337 HydrophobicContact CD2-CB 3.55Å; F312-F337 AromaticContact CD2-CD1 3.61Å; F312-F337 HydrophobicContact CD2-CD1 3.61Å; F312-F337 AromaticContact CD2-CD2 3.85Å; F312-F337 HydrophobicContact CD2-CD2 3.85Å; F312-F337 HydrophobicContact CD2-CE1 4.28Å; F312-F337 HydrophobicContact CD2-CE2 4.49Å; F312-F337 AromaticContact CD2-CG 3.37Å; F312-F337 HydrophobicContact CD2-CG 3.37Å; F312-F337 HydrophobicContact CE2-CB 3.68Å; F312-F337 HydrophobicContact CE2-CD1 4.31Å; F312-F337 HydrophobicContact CE2-CG 4.02Å; F312-F337 HydrophobicContact CG-CD1 4.26Å; F312-F337 HydrophobicContact CG-CG 4.32Å; Y315-F337 HydrophobicContact CD1-CB 3.71Å; Y315-F337 HydrophobicContact CD1-CD2 4.29Å; Y315-F337 HydrophobicContact CD1-CG 4.46Å; Y315-F337 HydrophobicContact CD2-CB 4.42Å; Y315-F337 AromaticContact CD2-CD2 3.81Å; Y315-F337 HydrophobicContact CD2-CD2 3.81Å; Y315-F337 HydrophobicContact CE1-CB 3.74Å; Y315-F337 HydrophobicContact CE2-CB 4.44Å; Y315-F337 HydrophobicContact CE2-CD2 4.37Å; Y315-F337 HydrophobicContact CG-CB 4.06Å; Y315-F337 AromaticContact CG-CD2 3.75Å; Y315-F337 HydrophobicContact CG-CD2 3.75Å; Y315-F337 HydrophobicContact CG-CG 4.36Å; Y315-F337 PolarHBondContact OH-N 3.47Å; R333-F337 WeakPolarHBondContact O-CB 3.33Å; R333-F337 PolarHBondContact O-N 3.44Å; A334-F337 PolarHBondContact O-N 3.31Å; F337-R339 VanDerWaalsContact C-N 3.31Å; F337-R339 PolarHBondContact O-N 3.28Å; F337-D340 PolarHBondContact O-N 3.39Å; F337-D340 VanDerWaalsContact O-N 3.11Å; F337-E341 HydrophobicContact CE1-CG 4.13Å; F337-E341 HydrophobicContact CE2-CG 3.98Å; F337-E341 VanDerWaalsContact CE2-OE1 3.31Å; F337-E341 WeakPolarHBondContact CE2-OE1 3.37Å; F337-E341 HydrophobicContact CZ-CG 3.76Å; F337-E341 PolarHBondContact O-N 3.29Å
338	I	98.7	Very high	97.2	Very high	2 Å²	2	40.2 Å²	40.2	1%	0.01	21%	0.208	C	C	.	.	H	α-helix	trans	-60.5	-43.9	179.3	-62.5	172.8	0	0	0	110.1	S247 L263 L288 L294 A334 K335 Y336 D340 E341 F342	S247-I338 WeakPolarHBondContact O-CD1 3.47Å; L263-I338 HydrophobicContact CD1-CG2 4.04Å; L263-I338 HydrophobicContact CD2-CD1 4.27Å; L263-I338 HydrophobicContact CD2-CG1 4.08Å; L263-I338 HydrophobicContact CD2-CG2 4.32Å; L288-I338 HydrophobicContact CD2-CG2 4.06Å; L294-I338 HydrophobicContact CD1-CD1 4.08Å; L294-I338 HydrophobicContact CD2-CD1 4.02Å; A334-I338 WeakPolarHBondContact O-CG1 3.38Å; A334-I338 PolarHBondContact O-N 3.11Å; K335-I338 PolarHBondContact O-N 3.38Å; Y336-I338 PolarHBondContact O-N 3Å; I338-D340 VanDerWaalsContact C-N 3.29Å; I338-D340 PolarHBondContact O-N 3.47Å; I338-E341 PolarHBondContact O-N 2.84Å; I338-F342 HydrophobicContact CG2-CD2 4.36Å; I338-F342 HydrophobicContact CG2-CE2 4.04Å; I338-F342 VanDerWaalsContact O-CD2 3.27Å; I338-F342 WeakPolarHBondContact O-CD2 3.42Å; I338-F342 PolarHBondContact O-N 2.8Å
339	R	98.5	Very high	96.1	Very high	29 Å²	29	40.2 Å²	40.2	11%	0.109	21%	0.212	C	C	.	.	H	α-helix	trans	-52.3	-49.5	174.1	-177.1	-162.9	71	166.6	1.6	111.3	L288 D320 K335 Y336 F337 E341 F342 L343 P358 F360	L288-R339 HydrophobicContact CD1-CB 3.53Å; L288-R339 HydrophobicContact CD1-CG 3.9Å; D320-R339 IonicContact OD1-NH2 3.42Å; K335-R339 PolarHBondContact O-N 3.26Å; Y336-R339 VanDerWaalsContact CE1-CZ 3.49Å; Y336-R339 WeakPolarHBondContact O-CB 3.4Å; Y336-R339 PolarHBondContact O-N 2.81Å; F337-R339 VanDerWaalsContact C-N 3.31Å; F337-R339 PolarHBondContact O-N 3.28Å; R339-E341 VanDerWaalsContact C-N 3.34Å; R339-E341 PolarHBondContact O-N 2.85Å; R339-F342 PolarHBondContact O-N 3.25Å; R339-L343 HydrophobicContact CG-CD1 3.95Å; R339-L343 HydrophobicContact CG-CG 4.29Å; R339-L343 WeakPolarHBondContact O-CG 3.38Å; R339-L343 PolarHBondContact O-N 3.24Å; R339-P358 HydrophobicContact CG-CB 3.89Å; R339-P358 HydrophobicContact CG-CG 4.22Å; R339-F360 HydrophobicContact CB-CE1 4.21Å; R339-F360 HydrophobicContact CB-CZ 4.13Å; R339-F360 HydrophobicContact CG-CZ 4.44Å
340	D	98.4	Very high	94.3	Very high	31 Å²	31	40 Å²	40	17%	0.166	22%	0.218	C	C	.	.	H	α-helix	trans	-71.6	-28.2	-172.8	-67.2	-7.9	0	0	0	112.7	Y315 Y336 F337 I338 F342 L343 R344	Y315-D340 HydrophobicContact CE2-CB 4.22Å; Y315-D340 WeakPolarHBondContact CE2-OD2 3.46Å; Y315-D340 PolarHBondContact OH-OD2 3.11Å; Y336-D340 WeakPolarHBondContact O-CB 3.27Å; Y336-D340 PolarHBondContact O-N 2.96Å; F337-D340 PolarHBondContact O-N 3.39Å; F337-D340 VanDerWaalsContact O-N 3.11Å; I338-D340 VanDerWaalsContact C-N 3.29Å; I338-D340 PolarHBondContact O-N 3.47Å; D340-F342 VanDerWaalsContact C-N 3.33Å; D340-F342 PolarHBondContact O-N 3.27Å; D340-L343 PolarHBondContact O-N 3.2Å; D340-R344 VanDerWaalsContact O-CB 3.31Å; D340-R344 WeakPolarHBondContact O-CB 3.5Å; D340-R344 PolarHBondContact O-N 2.94Å
341	E	98.4	Very high	93.1	Very high	17 Å²	17	37.3 Å²	37.3	8%	0.079	21%	0.214	C	C	.	.	H	α-helix	trans	-58.6	-43.1	169.7	-71.5	-58.6	123.1	0	0	111.8	L267 F337 I338 R339 R344	L267-E341 HydrophobicContact CD1-CB 4.29Å; L267-E341 HydrophobicContact CD2-CB 3.78Å; F337-E341 HydrophobicContact CE1-CG 4.13Å; F337-E341 HydrophobicContact CE2-CG 3.98Å; F337-E341 VanDerWaalsContact CE2-OE1 3.31Å; F337-E341 WeakPolarHBondContact CE2-OE1 3.37Å; F337-E341 HydrophobicContact CZ-CG 3.76Å; F337-E341 PolarHBondContact O-N 3.29Å; I338-E341 PolarHBondContact O-N 2.84Å; R339-E341 VanDerWaalsContact C-N 3.34Å; R339-E341 PolarHBondContact O-N 2.85Å; E341-R344 IonicContact OE1-CZ 3.87Å; E341-R344 IonicContact OE1-NH1 3.45Å; E341-R344 PolarHBondContact OE1-NH1 2.9Å; E341-R344 IonicContact OE1-NH2 2.63Å; E341-R344 PolarHBondContact OE1-NH2 3.09Å; E341-R344 IonicContact OE2-CZ 2.71Å; E341-R344 IonicContact OE2-NH1 3.65Å; E341-R344 PolarHBondContact OE2-NH1 2.84Å; E341-R344 IonicContact OE2-NH2 3.9Å
342	F	98.3	Very high	92.1	Very high	0 Å²	0	39.2 Å²	39.2	0%	0	24%	0.235	C	C	.	.	H	α-helix	trans	-73.9	-40.4	175.6	-72.7	-87.8	0	0	0	112.2	F243 V245 L263 A266 L267 F270 L286 L288 I338 R339 D340 R344 I345 S346	F243-F342 HydrophobicContact CE1-CE1 4.19Å; V245-F342 HydrophobicContact CB-CE2 4.44Å; V245-F342 HydrophobicContact CB-CZ 4.21Å; V245-F342 HydrophobicContact CG1-CE2 3.78Å; V245-F342 HydrophobicContact CG1-CZ 3.64Å; V245-F342 HydrophobicContact CG2-CD1 4.47Å; V245-F342 HydrophobicContact CG2-CE1 3.73Å; V245-F342 HydrophobicContact CG2-CE2 3.96Å; V245-F342 HydrophobicContact CG2-CZ 3.46Å; V245-F342 VanDerWaalsContact CG2-CZ 3.46Å; L263-F342 HydrophobicContact CD1-CE2 3.93Å; L263-F342 HydrophobicContact CD1-CZ 4.14Å; A266-F342 HydrophobicContact CB-CZ 4.05Å; L267-F342 HydrophobicContact CD2-CD1 3.86Å; L267-F342 HydrophobicContact CD2-CD2 3.85Å; L267-F342 HydrophobicContact CD2-CE1 3.8Å; L267-F342 HydrophobicContact CD2-CE2 3.77Å; L267-F342 HydrophobicContact CD2-CG 3.87Å; L267-F342 HydrophobicContact CD2-CZ 3.73Å; L267-F342 HydrophobicContact CG-CE1 4.28Å; L267-F342 HydrophobicContact CG-CE2 4.28Å; L267-F342 HydrophobicContact CG-CZ 3.97Å; F270-F342 HydrophobicContact CB-CD1 3.73Å; F270-F342 HydrophobicContact CB-CE1 3.71Å; F270-F342 AromaticContact CD1-CD1 3.74Å; F270-F342 HydrophobicContact CD1-CD1 3.74Å; F270-F342 HydrophobicContact CD2-CD1 4.04Å; F270-F342 HydrophobicContact CE1-CB 4.41Å; F270-F342 HydrophobicContact CE1-CD1 4.34Å; F270-F342 WeakPolarHBondContact CE1-O 3.35Å; F270-F342 AromaticContact CG-CD1 3.57Å; F270-F342 HydrophobicContact CG-CD1 3.57Å; F270-F342 HydrophobicContact CG-CE1 4.06Å; L286-F342 HydrophobicContact CD1-CD1 4.15Å; L286-F342 HydrophobicContact CD1-CG 4.34Å; L286-F342 HydrophobicContact CD2-CB 3.4Å; L286-F342 VanDerWaalsContact CD2-CB 3.4Å; L286-F342 HydrophobicContact CD2-CD1 4.33Å; L286-F342 HydrophobicContact CD2-CD2 4.34Å; L286-F342 HydrophobicContact CD2-CG 3.79Å; L288-F342 HydrophobicContact CD2-CD2 4.04Å; L288-F342 HydrophobicContact CD2-CE2 4.25Å; I338-F342 HydrophobicContact CG2-CD2 4.36Å; I338-F342 HydrophobicContact CG2-CE2 4.04Å; I338-F342 VanDerWaalsContact O-CD2 3.27Å; I338-F342 WeakPolarHBondContact O-CD2 3.42Å; I338-F342 PolarHBondContact O-N 2.8Å; R339-F342 PolarHBondContact O-N 3.25Å; D340-F342 VanDerWaalsContact C-N 3.33Å; D340-F342 PolarHBondContact O-N 3.27Å; F342-R344 VanDerWaalsContact C-N 3.28Å; F342-R344 PolarHBondContact O-N 2.84Å; F342-I345 WeakPolarHBondContact O-CB 3.37Å; F342-I345 PolarHBondContact O-N 3.39Å; F342-I345 VanDerWaalsContact O-N 3.12Å; F342-S346 PolarHBondContact O-N 2.98Å
343	L	96.8	Very high	91.3	Very high	38 Å²	38	46.2 Å²	46.2	20%	0.199	26%	0.261	C	S	.	.	H	α-helix	trans	-62.4	-38.5	178.7	-70.5	-178.5	0	0	0	111.5	R339 D340 I345 S346 T347 C356 P358	R339-L343 HydrophobicContact CG-CD1 3.95Å; R339-L343 HydrophobicContact CG-CG 4.29Å; R339-L343 WeakPolarHBondContact O-CG 3.38Å; R339-L343 PolarHBondContact O-N 3.24Å; D340-L343 PolarHBondContact O-N 3.2Å; L343-I345 PolarHBondContact O-N 3.03Å; L343-S346 WeakPolarHBondContact CA-OG 3.41Å; L343-S346 PolarHBondContact O-N 3.22Å; L343-S346 PolarHBondContact O-OG 2.86Å; L343-T347 WeakPolarHBondContact O-CG2 3.4Å; L343-T347 PolarHBondContact O-N 3.14Å; L343-T347 PolarHBondContact O-OG1 2.86Å; L343-T347 VanDerWaalsContact O-OG1 3.08Å; L343-C356 HydrophobicContact CD2-CB 4.34Å; L343-P358 HydrophobicContact CD1-CG 4.34Å; L343-P358 HydrophobicContact CD2-CG 4.09Å
344	R	96.1	Very high	90.8	Very high	130 Å²	130	43.5 Å²	43.5	49%	0.491	25%	0.251	S	S	.	.	H	α-helix	trans	-54.7	-38.1	174.3	-169.6	-174.1	-54.7	136.1	8.5	112.6	D340 E341 F342 T347 A348	D340-R344 VanDerWaalsContact O-CB 3.31Å; D340-R344 WeakPolarHBondContact O-CB 3.5Å; D340-R344 PolarHBondContact O-N 2.94Å; E341-R344 IonicContact OE1-CZ 3.87Å; E341-R344 IonicContact OE1-NH1 3.45Å; E341-R344 PolarHBondContact OE1-NH1 2.9Å; E341-R344 IonicContact OE1-NH2 2.63Å; E341-R344 PolarHBondContact OE1-NH2 3.09Å; E341-R344 IonicContact OE2-CZ 2.71Å; E341-R344 IonicContact OE2-NH1 3.65Å; E341-R344 PolarHBondContact OE2-NH1 2.84Å; E341-R344 IonicContact OE2-NH2 3.9Å; F342-R344 VanDerWaalsContact C-N 3.28Å; F342-R344 PolarHBondContact O-N 2.84Å; R344-T347 PolarHBondContact O-OG1 2.98Å; R344-A348 WeakPolarHBondContact O-CB 3.41Å; R344-A348 PolarHBondContact O-N 2.86Å
345	I	96	Very high	90.5	Very high	28 Å²	28	48.8 Å²	48.8	14%	0.144	27%	0.271	C	S	.	.	H	α-helix	trans	-66.9	-46.4	175	-63.3	166.7	0	0	0	110.1	L267 F270 K271 F342 L343 A348	L267-I345 HydrophobicContact CB-CD1 4.22Å; L267-I345 HydrophobicContact CD2-CD1 3.76Å; F270-I345 HydrophobicContact CD1-CB 4.02Å; F270-I345 HydrophobicContact CD1-CD1 4.04Å; F270-I345 HydrophobicContact CD1-CG2 3.82Å; F270-I345 HydrophobicContact CE1-CB 4.08Å; F270-I345 HydrophobicContact CE1-CG2 4.02Å; K271-I345 HydrophobicContact CB-CD1 4.28Å; K271-I345 HydrophobicContact CB-CG2 3.85Å; K271-I345 HydrophobicContact CG-CG2 4.03Å; F342-I345 WeakPolarHBondContact O-CB 3.37Å; F342-I345 PolarHBondContact O-N 3.39Å; F342-I345 VanDerWaalsContact O-N 3.12Å; L343-I345 PolarHBondContact O-N 3.03Å; I345-A348 PolarHBondContact O-N 3.05Å
346	S	94.3	Very high	90.3	Very high	11 Å²	11	49.5 Å²	49.5	8%	0.077	28%	0.277	C	S	.	.	H	α-helix	trans	-68.2	-35.6	-176.5	68	0	0	0	0	113.5	W274 F342 L343	W274-S346 VanDerWaalsContact CE2-CA 3.48Å; W274-S346 VanDerWaalsContact CZ2-O 3.26Å; W274-S346 WeakPolarHBondContact CZ2-O 3.34Å; W274-S346 PolarHBondContact NE1-O 3.1Å; F342-S346 PolarHBondContact O-N 2.98Å; L343-S346 WeakPolarHBondContact CA-OG 3.41Å; L343-S346 PolarHBondContact O-N 3.22Å; L343-S346 PolarHBondContact O-OG 2.86Å
347	T	92.7	Very high	90.2	Very high	98 Å²	98	52.2 Å²	52.2	60%	0.601	29%	0.288	S	S	*	.	H	α-helix	trans	-82.5	-14.2	-178.7	58.1	0	0	0	0	113.3	L343 R344 S349	L343-T347 WeakPolarHBondContact O-CG2 3.4Å; L343-T347 PolarHBondContact O-N 3.14Å; L343-T347 PolarHBondContact O-OG1 2.86Å; L343-T347 VanDerWaalsContact O-OG1 3.08Å; R344-T347 PolarHBondContact O-OG1 2.98Å; T347-S349 VanDerWaalsContact C-N 3.34Å
348	A	89.7	Confident	90.1	Very high	83 Å²	83	54.2 Å²	54.2	69%	0.686	30%	0.301	S	S	*	.	H	α-helix	trans	-69.7	-30.6	178.3	0	0	0	0	0	113	R344 I345	R344-A348 WeakPolarHBondContact O-CB 3.41Å; R344-A348 PolarHBondContact O-N 2.86Å; I345-A348 PolarHBondContact O-N 3.05Å
349	S	74.9	Confident	90.1	Very high	48 Å²	48	55.7 Å²	55.7	34%	0.336	31%	0.308	S	S	.	.	S	Bend	trans	-105.6	68.4	180	-58	0	0	0	0	109.7	N275 T347 D351	N275-S349 PolarHBondContact OD1-OG 3.47Å; T347-S349 VanDerWaalsContact C-N 3.34Å; S349-D351 VanDerWaalsContact C-N 3.3Å; S349-D351 PolarHBondContact O-N 3.19Å
350	A	61.3	Low	90.1	Very high	95 Å²	95	56.5 Å²	56.5	79%	0.785	31%	0.312	S	S	*	.			trans	-80.7	64	-173.5	0	0	0	0	0	113.4	G352	A350-G352 VanDerWaalsContact C-N 3.34Å
351	D	72.3	Confident	90	Very high	77 Å²	77	55 Å²	55	41%	0.412	30%	0.304	S	S	.	.			trans	-86.2	-6.7	171.2	76.1	-3.8	0	0	0	113.5	S349 R353	S349-D351 VanDerWaalsContact C-N 3.3Å; S349-D351 PolarHBondContact O-N 3.19Å; D351-R353 HydrophobicContact CB-CG 4.39Å; D351-R353 PolarHBondContact O-N 3.15Å; D351-R353 WeakPolarHBondContact OD1-CB 3.46Å; D351-R353 PolarHBondContact OD1-N 3.4Å; D351-R353 VanDerWaalsContact OD2-CD 3.3Å; D351-R353 WeakPolarHBondContact OD2-CD 3.45Å; D351-R353 IonicContact OD2-NE 3.75Å
352	G	76.5	Confident	90	Very high	46 Å²	46	55 Å²	55	47%	0.474	31%	0.306	S	S	.	.	S	Bend	trans	70	8	176.6	0	0	0	0	0	114.9	A350 Y355	A350-G352 VanDerWaalsContact C-N 3.34Å; G352-Y355 PolarHBondContact O-OH 2.9Å
353	R	82.6	Confident	89.8	Confident	155 Å²	155	55 Å²	55	59%	0.585	31%	0.306	S	S	*	.	S	Bend	trans	-83.1	-26.4	-174	-63.9	-174.8	-178	178.6	-1.3	113.7	D351	D351-R353 HydrophobicContact CB-CG 4.39Å; D351-R353 PolarHBondContact O-N 3.15Å; D351-R353 WeakPolarHBondContact OD1-CB 3.46Å; D351-R353 PolarHBondContact OD1-N 3.4Å; D351-R353 VanDerWaalsContact OD2-CD 3.3Å; D351-R353 WeakPolarHBondContact OD2-CD 3.45Å; D351-R353 IonicContact OD2-NE 3.75Å
354	H	87.9	Confident	89.7	Confident	14 Å²	14	54.3 Å²	54.3	7%	0.065	30%	0.303	C	S	.	.			trans	-146.7	161.9	177.2	64	-177.7	0	0	0	111.6	W274 L279 R280 I282	W274-H354 AromaticContact CD2-NE2 3.77Å; W274-H354 AromaticContact CE2-CD2 3.97Å; W274-H354 AromaticContact CE2-NE2 3.37Å; W274-H354 AromaticContact CH2-CD2 3.54Å; W274-H354 AromaticContact CH2-NE2 3.76Å; W274-H354 AromaticContact CZ2-CD2 3.46Å; W274-H354 VanDerWaalsContact CZ2-CD2 3.46Å; W274-H354 WeakPolarHBondContact CZ2-CD2 3.4Å; W274-H354 AromaticContact CZ2-NE2 3.39Å; W274-H354 WeakPolarHBondContact CZ2-NE2 3.42Å; W274-H354 AromaticContact NE1-NE2 3.85Å; W274-H354 PolarHBondContact O-CE1 3.1Å; L279-H354 PolarHBondContact O-ND1 3.01Å; R280-H354 PolarHBondContact O-ND1 3.15Å; I282-H354 WeakPolarHBondContact O-CB 3.37Å; I282-H354 PolarHBondContact O-ND1 2.69Å
355	Y	91.7	Very high	89.6	Confident	110 Å²	110	51.7 Å²	51.7	43%	0.431	30%	0.299	S	S	.	.			trans	-130	153.6	-171.5	-60.9	-93.5	0	0	0	111	S283 V284 G352 Y357	S283-Y355 WeakPolarHBondContact CA-O 3.32Å; S283-Y355 VanDerWaalsContact CB-O 3.31Å; S283-Y355 WeakPolarHBondContact CB-O 3.41Å; S283-Y355 PolarHBondContact OG-N 2.72Å; S283-Y355 VanDerWaalsContact OG-N 3.07Å; V284-Y355 PolarHBondContact N-O 3.23Å; G352-Y355 PolarHBondContact O-OH 2.9Å; Y355-Y357 VanDerWaalsContact CB-CE2 3.47Å
356	C	94.9	Very high	89.5	Confident	21 Å²	21	52.2 Å²	52.2	14%	0.142	30%	0.304	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105	127.6	173	-173.3	0	0	0	0	109.5	W274 V284 L343	W274-C356 HydrophobicContact CH2-CB 4.09Å; W274-C356 HydrophobicContact CZ3-CB 3.91Å; V284-C356 CarbonylContact O-C 3.25Å; V284-C356 VanDerWaalsContact O-CA 3.27Å; V284-C356 WeakPolarHBondContact O-CA 3.2Å; L343-C356 HydrophobicContact CD2-CB 4.34Å
357	Y	95.9	Very high	89.5	Confident	61 Å²	61	55.3 Å²	55.3	24%	0.239	32%	0.317	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.2	95.8	-179.8	-58.3	-91.8	0	0	0	109.3	V284 I285 L286 Y355 H359 I379 M383	V284-Y357 PolarHBondContact O-N 3.47Å; I285-Y357 CarbonylContact C-O 3.5Å; L286-Y357 PolarHBondContact N-O 3.46Å; Y355-Y357 VanDerWaalsContact CB-CE2 3.47Å; Y357-H359 PolarHBondContact O-CD2 2.58Å; Y357-I379 HydrophobicContact CD1-CD1 3.69Å; Y357-I379 HydrophobicContact CD1-CG1 4.2Å; Y357-I379 HydrophobicContact CD1-CG2 4.1Å; Y357-I379 HydrophobicContact CD2-CG2 3.92Å; Y357-I379 HydrophobicContact CE1-CD1 4.28Å; Y357-I379 HydrophobicContact CE1-CG1 4.29Å; Y357-I379 HydrophobicContact CE1-CG2 4.01Å; Y357-I379 HydrophobicContact CE2-CG2 3.87Å; Y357-I379 HydrophobicContact CG-CD1 4.07Å; Y357-I379 HydrophobicContact CG-CG2 4.04Å; Y357-M383 HydrophobicContact CD2-CE 3.7Å; Y357-M383 HydrophobicContact CE2-CE 3.07Å
358	P	97.2	Very high	89.6	Confident	45 Å²	45	52.5 Å²	52.5	29%	0.292	30%	0.298	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.2	135.3	-178.1	31.9	-35.3	0	0	0	112.2	L286 R339 L343	L286-P358 HydrophobicContact CD2-CB 4.37Å; L286-P358 CarbonylContact O-C 3.59Å; L286-P358 WeakPolarHBondContact O-CA 3.42Å; R339-P358 HydrophobicContact CG-CB 3.89Å; R339-P358 HydrophobicContact CG-CG 4.22Å; L343-P358 HydrophobicContact CD1-CG 4.34Å; L343-P358 HydrophobicContact CD2-CG 4.09Å
359	H	97.5	Very high	89.9	Confident	32 Å²	32	48.6 Å²	48.6	15%	0.148	27%	0.266	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133	136.6	172.2	-64.8	-92.6	0	0	0	110.1	L286 F287 L288 Y357 T361 V372	L286-H359 PolarHBondContact O-N 3.09Å; F287-H359 HydrophobicContact CD1-CB 4.09Å; F287-H359 HydrophobicContact CE1-CB 4.24Å; L288-H359 PolarHBondContact N-O 3.26Å; Y357-H359 PolarHBondContact O-CD2 2.58Å; H359-T361 HydrophobicContact CB-CG2 4.17Å; H359-V372 HydrophobicContact CB-CG1 3.74Å
360	F	97.9	Very high	90.7	Very high	46 Å²	46	51.8 Å²	51.8	20%	0.202	27%	0.27	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.4	123.5	170.7	-62.1	-64.4	0	0	0	109.2	L288 Q291 K335 Y336 R339	L288-F360 HydrophobicContact CB-CD1 3.99Å; L288-F360 HydrophobicContact CB-CE1 4.47Å; L288-F360 HydrophobicContact CD1-CD1 3.77Å; L288-F360 HydrophobicContact CD1-CE1 3.47Å; L288-F360 VanDerWaalsContact CD1-CE1 3.47Å; L288-F360 HydrophobicContact CD1-CZ 4.33Å; Q291-F360 HydrophobicContact CG-CB 4.04Å; K335-F360 HydrophobicContact CB-CD1 4.07Å; K335-F360 HydrophobicContact CB-CE1 3.69Å; K335-F360 HydrophobicContact CB-CZ 4.35Å; K335-F360 HydrophobicContact CD-CD1 4.02Å; K335-F360 HydrophobicContact CD-CD2 4.34Å; K335-F360 HydrophobicContact CD-CE1 4.01Å; K335-F360 HydrophobicContact CD-CE2 4.32Å; K335-F360 HydrophobicContact CD-CG 4.19Å; K335-F360 HydrophobicContact CD-CZ 4.16Å; K335-F360 HydrophobicContact CG-CD1 4.12Å; K335-F360 HydrophobicContact CG-CE1 3.64Å; K335-F360 HydrophobicContact CG-CE2 4.43Å; K335-F360 HydrophobicContact CG-CZ 3.81Å; K335-F360 WeakPolarHBondContact O-CE1 3.44Å; Y336-F360 HydrophobicContact CD1-CZ 4.49Å; Y336-F360 HydrophobicContact CD2-CE2 4.17Å; Y336-F360 AromaticContact CD2-CZ 3.85Å; Y336-F360 HydrophobicContact CD2-CZ 3.85Å; Y336-F360 HydrophobicContact CE1-CE2 4.37Å; Y336-F360 HydrophobicContact CE1-CZ 4.44Å; Y336-F360 AromaticContact CE2-CE2 3.66Å; Y336-F360 HydrophobicContact CE2-CE2 3.66Å; Y336-F360 AromaticContact CE2-CZ 3.83Å; Y336-F360 HydrophobicContact CE2-CZ 3.83Å; Y336-F360 HydrophobicContact CG-CZ 4.18Å; Y336-F360 AromaticContact CZ-CE2 3.73Å; R339-F360 HydrophobicContact CB-CE1 4.21Å; R339-F360 HydrophobicContact CB-CZ 4.13Å; R339-F360 HydrophobicContact CG-CZ 4.44Å
361	T	97.9	Very high	92.2	Very high	0 Å²	0	54.2 Å²	54.2	0%	0	26%	0.259	C	S	.	.			trans	-131.2	149.3	-171.7	63.8	0	0	0	0	113.8	F287 L288 N289 K290 Q291 H359 N368 I369 V372	F287-T361 HydrophobicContact CB-CG2 4.08Å; F287-T361 HydrophobicContact CD1-CG2 3.86Å; F287-T361 HydrophobicContact CD2-CG2 4.11Å; F287-T361 HydrophobicContact CE1-CG2 4.29Å; F287-T361 HydrophobicContact CG-CG2 3.76Å; L288-T361 PolarHBondContact O-N 2.86Å; N289-T361 CarbonylContact C-O 3.55Å; N289-T361 VanDerWaalsContact CA-O 3.27Å; N289-T361 WeakPolarHBondContact CA-O 3.46Å; N289-T361 VanDerWaalsContact CA-OG1 3.26Å; N289-T361 WeakPolarHBondContact CA-OG1 3.42Å; N289-T361 PolarHBondContact OD1-O 3.4Å; K290-T361 PolarHBondContact N-O 3.03Å; Q291-T361 WeakPolarHBondContact CG-O 3.46Å; Q291-T361 PolarHBondContact N-O 3.47Å; H359-T361 HydrophobicContact CB-CG2 4.17Å; T361-N368 WeakPolarHBondContact CA-OD1 3.37Å; T361-I369 HydrophobicContact CG2-CD1 4.43Å; T361-V372 HydrophobicContact CG2-CB 4.4Å; T361-V372 HydrophobicContact CG2-CG1 3.85Å; T361-V372 HydrophobicContact CG2-CG2 4.1Å
362	C	97	Very high	93.1	Very high	16 Å²	16	51 Å²	51	11%	0.108	24%	0.243	C	C	.	.			trans	-123.5	96.5	166.7	-178.2	0	0	0	0	107.7	V364 D365 N368	C362-V364 PolarHBondContact O-N 2.98Å; C362-V364 VanDerWaalsContact SG-CG2 3.5Å; C362-D365 HydrophobicContact CB-CB 3.89Å; C362-D365 PolarHBondContact O-N 3.35Å; C362-N368 PolarHBondContact N-OD1 3.28Å
363	A	95.3	Very high	93.7	Very high	2 Å²	2	48.9 Å²	48.9	2%	0.017	22%	0.22	C	C	.	.	T	Hydrogen-bonded Turn	trans	-61.1	-20.3	-173.6	0	0	0	0	0	113.9	T67 I68 Q71 N289	T67-A363 HydrophobicContact CG2-CB 3.74Å; T67-A363 WeakPolarHBondContact CG2-O 3.23Å; I68-A363 HydrophobicContact CD1-CB 3.61Å; I68-A363 HydrophobicContact CG1-CB 4.21Å; Q71-A363 WeakPolarHBondContact CG-O 3.47Å; Q71-A363 PolarHBondContact NE2-O 3.45Å; N289-A363 VanDerWaalsContact OD1-CB 3.3Å; N289-A363 WeakPolarHBondContact OD1-CB 3.45Å; N289-A363 PolarHBondContact OD1-N 3.5Å
364	V	93.7	Very high	94	Very high	23 Å²	23	44.7 Å²	44.7	14%	0.139	21%	0.209	C	C	.	.	T	Hydrogen-bonded Turn	trans	-93	-0.5	178.1	-61.9	0	0	0	0	112.9	T67 Q192 C362	T67-V364 HydrophobicContact CG2-CG1 4Å; Q192-V364 PolarHBondContact NE2-O 2.81Å; Q192-V364 VanDerWaalsContact NE2-O 3.1Å; Q192-V364 PolarHBondContact OE1-O 3.08Å; C362-V364 PolarHBondContact O-N 2.98Å; C362-V364 VanDerWaalsContact SG-CG2 3.5Å
365	D	95.3	Very high	94	Very high	74 Å²	74	48.6 Å²	48.6	40%	0.396	23%	0.231	S	C	.	.			trans	-104	107.9	170.9	178.6	-13.6	0	0	0	109.1	C362 E367 N368 I369	C362-D365 HydrophobicContact CB-CB 3.89Å; C362-D365 PolarHBondContact O-N 3.35Å; D365-E367 VanDerWaalsContact C-N 3.27Å; D365-E367 PolarHBondContact O-N 2.88Å; D365-E367 PolarHBondContact OD1-N 3.15Å; D365-N368 HydrophobicContact CB-CB 3.84Å; D365-N368 PolarHBondContact O-N 2.93Å; D365-N368 PolarHBondContact OD1-N 3.47Å; D365-N368 VanDerWaalsContact OD1-N 3.08Å; D365-I369 PolarHBondContact O-N 3.39Å; D365-I369 VanDerWaalsContact O-N 3.12Å
366	T	93.9	Very high	93.9	Very high	40 Å²	40	43.4 Å²	43.4	25%	0.245	21%	0.21	C	C	.	.	H	α-helix	trans	-61.8	-34.3	-177.5	-53.7	0	0	0	0	112.7	Q71 I74 L75 R370	Q71-T366 PolarHBondContact NE2-OG1 3.21Å; Q71-T366 PolarHBondContact OE1-OG1 3.08Å; I74-T366 HydrophobicContact CG2-CG2 4.29Å; L75-T366 HydrophobicContact CD2-CG2 3.67Å; L75-T366 HydrophobicContact CG-CG2 4.22Å; T366-R370 WeakPolarHBondContact O-CB 3.45Å; T366-R370 PolarHBondContact O-N 3.36Å
367	E	93.8	Very high	93.5	Very high	76 Å²	76	45.5 Å²	45.5	36%	0.355	22%	0.216	S	C	.	.	H	α-helix	trans	-79.8	-38.2	-177.6	-178.9	56.1	-158.2	0	0	111.3	D365 I369 R370 R371	D365-E367 VanDerWaalsContact C-N 3.27Å; D365-E367 PolarHBondContact O-N 2.88Å; D365-E367 PolarHBondContact OD1-N 3.15Å; E367-I369 VanDerWaalsContact C-N 3.35Å; E367-I369 PolarHBondContact O-N 3.47Å; E367-R370 PolarHBondContact O-N 2.8Å; E367-R370 WeakPolarHBondContact OE2-CD 3.45Å; E367-R370 IonicContact OE2-NE 2.64Å; E367-R370 PolarHBondContact OE2-NE 2.84Å; E367-R371 WeakPolarHBondContact O-CG 3.47Å; E367-R371 PolarHBondContact O-N 3.02Å; E367-R371 IonicContact OE1-CZ 2.79Å; E367-R371 IonicContact OE1-NE 2.59Å; E367-R371 PolarHBondContact OE1-NE 2.98Å; E367-R371 IonicContact OE1-NH2 3.5Å; E367-R371 PolarHBondContact OE1-NH2 3.12Å
368	N	94.4	Very high	92.8	Very high	38 Å²	38	46.6 Å²	46.6	20%	0.203	23%	0.225	C	C	.	.	H	α-helix	trans	-57.1	-48.6	170.6	179.5	-94.1	0	0	0	111.3	T361 C362 D365 R370 R371 V372	T361-N368 WeakPolarHBondContact CA-OD1 3.37Å; C362-N368 PolarHBondContact N-OD1 3.28Å; D365-N368 HydrophobicContact CB-CB 3.84Å; D365-N368 PolarHBondContact O-N 2.93Å; D365-N368 PolarHBondContact OD1-N 3.47Å; D365-N368 VanDerWaalsContact OD1-N 3.08Å; N368-R370 PolarHBondContact O-N 2.83Å; N368-R371 PolarHBondContact O-N 3.15Å; N368-V372 WeakPolarHBondContact O-CG2 3.38Å; N368-V372 PolarHBondContact O-N 2.9Å
369	I	94.9	Very high	92.2	Very high	2 Å²	2	45.9 Å²	45.9	1%	0.01	22%	0.219	C	C	.	.	H	α-helix	trans	-66.4	-37	179.1	-65.5	-52.2	0	0	0	112.4	I68 Q71 M72 L75 T361 D365 E367 R371 F373	I68-I369 HydrophobicContact CD1-CD1 3.41Å; I68-I369 VanDerWaalsContact CD1-CD1 3.41Å; I68-I369 HydrophobicContact CD1-CG1 4.05Å; Q71-I369 HydrophobicContact CB-CB 4.41Å; Q71-I369 HydrophobicContact CB-CG2 3.84Å; Q71-I369 HydrophobicContact CG-CB 4.34Å; Q71-I369 HydrophobicContact CG-CG1 4.18Å; Q71-I369 HydrophobicContact CG-CG2 4.26Å; M72-I369 HydrophobicContact CE-CG2 3.79Å; L75-I369 HydrophobicContact CD1-CG2 4.43Å; T361-I369 HydrophobicContact CG2-CD1 4.43Å; D365-I369 PolarHBondContact O-N 3.39Å; D365-I369 VanDerWaalsContact O-N 3.12Å; E367-I369 VanDerWaalsContact C-N 3.35Å; E367-I369 PolarHBondContact O-N 3.47Å; I369-R371 PolarHBondContact O-N 3.37Å; I369-F373 WeakPolarHBondContact O-CB 3.47Å; I369-F373 PolarHBondContact O-N 3.39Å
370	R	93.3	Very high	91.7	Very high	114 Å²	114	44.4 Å²	44.4	43%	0.43	21%	0.212	S	C	.	.	H	α-helix	trans	-56.5	-49.2	173.4	-176.6	-166.2	-63.2	-99	-4.3	111.2	L75 T366 E367 N368 N374	L75-R370 HydrophobicContact CD1-CB 4.18Å; L75-R370 HydrophobicContact CD2-CB 4.28Å; T366-R370 WeakPolarHBondContact O-CB 3.45Å; T366-R370 PolarHBondContact O-N 3.36Å; E367-R370 PolarHBondContact O-N 2.8Å; E367-R370 WeakPolarHBondContact OE2-CD 3.45Å; E367-R370 IonicContact OE2-NE 2.64Å; E367-R370 PolarHBondContact OE2-NE 2.84Å; N368-R370 PolarHBondContact O-N 2.83Å; R370-N374 PolarHBondContact O-N 3.46Å; R370-N374 VanDerWaalsContact O-N 3.11Å; R370-N374 PolarHBondContact O-ND2 3.08Å
371	R	91.4	Very high	91	Very high	147 Å²	147	46.4 Å²	46.4	56%	0.555	22%	0.222	S	C	*	.	H	α-helix	trans	-64.8	-51.6	-179.6	-67	176.3	-162.8	161	2.2	111.7	E367 N368 I369 F373 N374 D375	E367-R371 WeakPolarHBondContact O-CG 3.47Å; E367-R371 PolarHBondContact O-N 3.02Å; E367-R371 IonicContact OE1-CZ 2.79Å; E367-R371 IonicContact OE1-NE 2.59Å; E367-R371 PolarHBondContact OE1-NE 2.98Å; E367-R371 IonicContact OE1-NH2 3.5Å; E367-R371 PolarHBondContact OE1-NH2 3.12Å; N368-R371 PolarHBondContact O-N 3.15Å; I369-R371 PolarHBondContact O-N 3.37Å; R371-F373 VanDerWaalsContact C-N 3.28Å; R371-F373 PolarHBondContact O-N 3.42Å; R371-N374 WeakPolarHBondContact O-CB 3.35Å; R371-N374 PolarHBondContact O-N 2.83Å; R371-N374 VanDerWaalsContact O-N 3.09Å; R371-D375 PolarHBondContact O-N 3.37Å
372	V	91.2	Very high	90.2	Very high	10 Å²	10	54.2 Å²	54.2	6%	0.061	25%	0.251	C	S	.	.	H	α-helix	trans	-60.1	-40.2	-179.1	172.2	0	0	0	0	111.4	F287 H359 T361 N368 D375 C376	F287-V372 HydrophobicContact CD1-CG1 4.3Å; F287-V372 HydrophobicContact CE1-CG1 3.49Å; F287-V372 VanDerWaalsContact CE1-CG1 3.49Å; F287-V372 HydrophobicContact CZ-CG1 3.66Å; H359-V372 HydrophobicContact CB-CG1 3.74Å; T361-V372 HydrophobicContact CG2-CB 4.4Å; T361-V372 HydrophobicContact CG2-CG1 3.85Å; T361-V372 HydrophobicContact CG2-CG2 4.1Å; N368-V372 WeakPolarHBondContact O-CG2 3.38Å; N368-V372 PolarHBondContact O-N 2.9Å; V372-D375 PolarHBondContact O-N 3.17Å; V372-C376 WeakPolarHBondContact O-CB 3.46Å; V372-C376 PolarHBondContact O-N 2.96Å; V372-C376 PolarHBondContact O-SG 3.41Å
373	F	90.4	Very high	89.5	Confident	1 Å²	1	54.4 Å²	54.4	0%	0.004	25%	0.251	C	S	.	.	H	α-helix	trans	-67.7	-37.1	177.9	-170.5	-100.9	0	0	0	112.4	L55 M72 F209 V211 F216 I369 R371 C376 R377	L55-F373 HydrophobicContact CD1-CE2 4.13Å; M72-F373 HydrophobicContact CE-CB 3.97Å; M72-F373 HydrophobicContact CE-CD1 4.43Å; M72-F373 HydrophobicContact CE-CD2 3.34Å; M72-F373 HydrophobicContact CE-CE2 3.89Å; M72-F373 HydrophobicContact CE-CG 3.65Å; M72-F373 HydrophobicContact SD-CD1 4.31Å; M72-F373 HydrophobicContact SD-CD2 3.97Å; M72-F373 HydrophobicContact SD-CE1 4.38Å; M72-F373 HydrophobicContact SD-CE2 4.03Å; M72-F373 HydrophobicContact SD-CG 4.11Å; M72-F373 HydrophobicContact SD-CZ 4.24Å; F209-F373 AromaticContact CE2-CE1 3.98Å; F209-F373 HydrophobicContact CE2-CE1 3.98Å; F209-F373 AromaticContact CE2-CZ 3.73Å; F209-F373 HydrophobicContact CE2-CZ 3.73Å; F209-F373 HydrophobicContact CZ-CE1 4.41Å; F209-F373 HydrophobicContact CZ-CE2 4.29Å; F209-F373 AromaticContact CZ-CZ 3.73Å; F209-F373 HydrophobicContact CZ-CZ 3.73Å; V211-F373 HydrophobicContact CG2-CE1 4.29Å; F216-F373 AromaticContact CD1-CZ 3.99Å; F216-F373 HydrophobicContact CD1-CZ 3.99Å; F216-F373 AromaticContact CE1-CZ 3.94Å; F216-F373 HydrophobicContact CE1-CZ 3.94Å; F216-F373 HydrophobicContact CE2-CZ 4.49Å; F216-F373 HydrophobicContact CG-CZ 4.27Å; F216-F373 HydrophobicContact CZ-CE1 4.42Å; F216-F373 HydrophobicContact CZ-CZ 4.2Å; I369-F373 WeakPolarHBondContact O-CB 3.47Å; I369-F373 PolarHBondContact O-N 3.39Å; R371-F373 VanDerWaalsContact C-N 3.28Å; R371-F373 PolarHBondContact O-N 3.42Å; F373-C376 WeakPolarHBondContact O-CB 3.35Å; F373-C376 PolarHBondContact O-N 2.9Å; F373-R377 PolarHBondContact O-N 2.87Å
374	N	88.6	Confident	88.8	Confident	66 Å²	66	55.1 Å²	55.1	35%	0.353	25%	0.254	S	S	.	.	H	α-helix	trans	-62.7	-42.4	173.4	-72	-21.4	0	0	0	111.6	R370 R371 C376 R377	R370-N374 PolarHBondContact O-N 3.46Å; R370-N374 VanDerWaalsContact O-N 3.11Å; R370-N374 PolarHBondContact O-ND2 3.08Å; R371-N374 WeakPolarHBondContact O-CB 3.35Å; R371-N374 PolarHBondContact O-N 2.83Å; R371-N374 VanDerWaalsContact O-N 3.09Å; N374-C376 VanDerWaalsContact C-N 3.31Å; N374-C376 PolarHBondContact O-N 3.31Å; N374-R377 VanDerWaalsContact O-CB 3.23Å; N374-R377 WeakPolarHBondContact O-CB 3.22Å; N374-R377 PolarHBondContact O-N 3.4Å; N374-R377 VanDerWaalsContact O-N 3.13Å
375	D	87.1	Confident	88.2	Confident	96 Å²	96	56.7 Å²	56.7	51%	0.513	26%	0.261	S	S	.	.	H	α-helix	trans	-63.1	-39.6	175.5	-62.2	-18.7	0	0	0	111.5	R371 V372 R377	R371-D375 PolarHBondContact O-N 3.37Å; V372-D375 PolarHBondContact O-N 3.17Å; D375-R377 PolarHBondContact O-N 2.87Å
376	C	89.8	Confident	87.4	Confident	1 Å²	1	60.3 Å²	60.3	1%	0.007	27%	0.269	C	S	.	.	H	α-helix	trans	-66.3	-26.1	176.2	-68.4	0	0	0	0	112.7	I285 V372 F373 N374 D378 I379 I380	I285-C376 HydrophobicContact CD1-CB 4.05Å; I285-C376 VanDerWaalsContact CG2-SG 3.55Å; V372-C376 WeakPolarHBondContact O-CB 3.46Å; V372-C376 PolarHBondContact O-N 2.96Å; V372-C376 PolarHBondContact O-SG 3.41Å; F373-C376 WeakPolarHBondContact O-CB 3.35Å; F373-C376 PolarHBondContact O-N 2.9Å; N374-C376 VanDerWaalsContact C-N 3.31Å; N374-C376 PolarHBondContact O-N 3.31Å; C376-D378 PolarHBondContact O-N 3.47Å; C376-I379 WeakPolarHBondContact O-CB 3.36Å; C376-I379 PolarHBondContact O-N 3.36Å; C376-I380 HydrophobicContact CB-CD1 4.08Å; C376-I380 WeakPolarHBondContact O-CB 3.4Å; C376-I380 WeakPolarHBondContact O-CD1 3.27Å; C376-I380 WeakPolarHBondContact O-CG1 3.38Å; C376-I380 PolarHBondContact O-N 3.23Å
377	R	86.5	Confident	86.5	Confident	66 Å²	66	62.1 Å²	62.1	25%	0.249	28%	0.275	C	S	.	.	H	α-helix	trans	-60.5	-45.8	-175	-172.1	-179.5	69.6	-177.4	5.3	112.1	D212 F216 F373 N374 D375 I379 I380 Q381	D212-R377 IonicContact OD2-CZ 3.85Å; D212-R377 IonicContact OD2-NH1 3.29Å; D212-R377 PolarHBondContact OD2-NH1 3.28Å; F216-R377 HydrophobicContact CZ-CG 4.36Å; F373-R377 PolarHBondContact O-N 2.87Å; N374-R377 VanDerWaalsContact O-CB 3.23Å; N374-R377 WeakPolarHBondContact O-CB 3.22Å; N374-R377 PolarHBondContact O-N 3.4Å; N374-R377 VanDerWaalsContact O-N 3.13Å; D375-R377 PolarHBondContact O-N 2.87Å; R377-I379 VanDerWaalsContact C-N 3.28Å; R377-I379 PolarHBondContact O-N 3.35Å; R377-I380 PolarHBondContact O-N 2.97Å; R377-Q381 WeakPolarHBondContact O-CB 3.4Å; R377-Q381 PolarHBondContact O-N 2.82Å
378	D	81.1	Confident	85.7	Confident	83 Å²	83	62.3 Å²	62.3	44%	0.444	27%	0.273	S	S	.	.	H	α-helix	trans	-65.6	-37.2	-179.4	-71.6	-0	0	0	0	111.1	C376 R382	C376-D378 PolarHBondContact O-N 3.47Å; D378-R382 VanDerWaalsContact O-CG 3.29Å; D378-R382 WeakPolarHBondContact O-CG 3.33Å; D378-R382 PolarHBondContact O-N 2.96Å; D378-R382 VanDerWaalsContact O-N 3.13Å
379	I	85.4	Confident	84.8	Confident	31 Å²	31	69.1 Å²	69.1	16%	0.159	30%	0.304	C	S	.	.	H	α-helix	trans	-63.5	-50.4	174.7	-66.4	164.9	0	0	0	110	Y357 C376 R377 Q381 R382 M383	Y357-I379 HydrophobicContact CD1-CD1 3.69Å; Y357-I379 HydrophobicContact CD1-CG1 4.2Å; Y357-I379 HydrophobicContact CD1-CG2 4.1Å; Y357-I379 HydrophobicContact CD2-CG2 3.92Å; Y357-I379 HydrophobicContact CE1-CD1 4.28Å; Y357-I379 HydrophobicContact CE1-CG1 4.29Å; Y357-I379 HydrophobicContact CE1-CG2 4.01Å; Y357-I379 HydrophobicContact CE2-CG2 3.87Å; Y357-I379 HydrophobicContact CG-CD1 4.07Å; Y357-I379 HydrophobicContact CG-CG2 4.04Å; C376-I379 WeakPolarHBondContact O-CB 3.36Å; C376-I379 PolarHBondContact O-N 3.36Å; R377-I379 VanDerWaalsContact C-N 3.28Å; R377-I379 PolarHBondContact O-N 3.35Å; I379-Q381 PolarHBondContact O-N 2.86Å; I379-R382 PolarHBondContact O-N 2.83Å; I379-M383 HydrophobicContact CG2-CE 3.23Å; I379-M383 HydrophobicContact CG2-SD 4.06Å; I379-M383 VanDerWaalsContact O-CG 3.29Å; I379-M383 WeakPolarHBondContact O-CG 3.38Å; I379-M383 PolarHBondContact O-N 3.2Å
380	I	86	Confident	83.5	Confident	0 Å²	0	74.8 Å²	74.8	0%	0	33%	0.333	C	S	.	.	H	α-helix	trans	-62.4	-42.5	-179.5	-67.8	160.8	0	0	0	111	H53 L55 F216 T239 A240 I285 C376 R377 R382 M383 H384	H53-I380 HydrophobicContact CB-CG2 3.95Å; L55-I380 HydrophobicContact CD1-CD1 4.11Å; L55-I380 HydrophobicContact CD2-CD1 3.9Å; L55-I380 HydrophobicContact CD2-CG1 4.17Å; L55-I380 HydrophobicContact CD2-CG2 4.24Å; F216-I380 HydrophobicContact CE1-CD1 4.4Å; F216-I380 HydrophobicContact CE1-CG2 4.28Å; T239-I380 HydrophobicContact CG2-CG2 4.04Å; A240-I380 HydrophobicContact CB-CG1 4.45Å; I285-I380 HydrophobicContact CD1-CD1 3.95Å; I285-I380 HydrophobicContact CD1-CG1 3.74Å; C376-I380 HydrophobicContact CB-CD1 4.08Å; C376-I380 WeakPolarHBondContact O-CB 3.4Å; C376-I380 WeakPolarHBondContact O-CD1 3.27Å; C376-I380 WeakPolarHBondContact O-CG1 3.38Å; C376-I380 PolarHBondContact O-N 3.23Å; R377-I380 PolarHBondContact O-N 2.97Å; I380-R382 PolarHBondContact O-N 2.59Å; I380-M383 WeakPolarHBondContact O-CB 3.4Å; I380-M383 PolarHBondContact O-N 2.84Å; I380-H384 WeakPolarHBondContact O-CB 3.41Å; I380-H384 PolarHBondContact O-N 3.01Å
381	Q	83.8	Confident	81.8	Confident	89 Å²	89	76.5 Å²	76.5	42%	0.416	35%	0.35	S	S	.	.	H	α-helix	trans	-63.7	-42.9	179.9	-170.1	172.3	4.1	0	0	111.2	R377 I379 H384 L385	R377-Q381 WeakPolarHBondContact O-CB 3.4Å; R377-Q381 PolarHBondContact O-N 2.82Å; I379-Q381 PolarHBondContact O-N 2.86Å; Q381-H384 PolarHBondContact O-N 3.38Å; Q381-L385 HydrophobicContact CG-CD1 4.48Å; Q381-L385 WeakPolarHBondContact O-CG 3.39Å; Q381-L385 PolarHBondContact O-N 3.26Å
382	R	81.1	Confident	81.3	Confident	163 Å²	163	73 Å²	73	62%	0.615	34%	0.34	S	S	*	.	H	α-helix	trans	-64	-40.1	174.2	-70.6	174.7	-170.7	-179.6	5.5	112.2	D378 I379 I380 L385 R386 L391	D378-R382 VanDerWaalsContact O-CG 3.29Å; D378-R382 WeakPolarHBondContact O-CG 3.33Å; D378-R382 PolarHBondContact O-N 2.96Å; D378-R382 VanDerWaalsContact O-N 3.13Å; I379-R382 PolarHBondContact O-N 2.83Å; I380-R382 PolarHBondContact O-N 2.59Å; R382-L385 PolarHBondContact O-N 2.98Å; R382-R386 WeakPolarHBondContact O-CG 3.46Å; R382-R386 PolarHBondContact O-N 2.84Å; R382-L391 HydrophobicContact CB-CD1 4.41Å; R382-L391 WeakPolarHBondContact O-CD1 3.25Å
383	M	82.7	Confident	80.7	Confident	20 Å²	20	76.3 Å²	76.3	10%	0.099	36%	0.355	C	S	.	.	H	α-helix	trans	-61.2	-46.3	175.8	-72.1	171.6	-176.7	0	0	111.8	T239 A240 Y357 I379 I380 L385 R386 Q387	T239-M383 HydrophobicContact CG2-CB 4.46Å; A240-M383 HydrophobicContact CB-SD 3.84Å; Y357-M383 HydrophobicContact CD2-CE 3.7Å; Y357-M383 HydrophobicContact CE2-CE 3.07Å; I379-M383 HydrophobicContact CG2-CE 3.23Å; I379-M383 HydrophobicContact CG2-SD 4.06Å; I379-M383 VanDerWaalsContact O-CG 3.29Å; I379-M383 WeakPolarHBondContact O-CG 3.38Å; I379-M383 PolarHBondContact O-N 3.2Å; I380-M383 WeakPolarHBondContact O-CB 3.4Å; I380-M383 PolarHBondContact O-N 2.84Å; M383-L385 PolarHBondContact O-N 3.28Å; M383-R386 PolarHBondContact O-N 2.82Å; M383-Q387 PolarHBondContact O-N 3.21Å
384	H	80.7	Confident	80.2	Confident	17 Å²	17	80.4 Å²	80.4	8%	0.079	37%	0.374	C	S	.	.	H	α-helix	trans	-62.8	-43.9	-179.9	-171.9	83.7	0	0	0	112.1	R50 H53 T239 I380 Q381 Q387 Y388	R50-H384 PolarHBondContact O-CE1 3.48Å; R50-H384 PolarHBondContact O-NE2 3.14Å; H53-H384 VanDerWaalsContact CE1-CB 3.43Å; H53-H384 WeakPolarHBondContact CE1-CB 3.32Å; H53-H384 AromaticContact CE1-CD2 3.37Å; H53-H384 PolarHBondContact CE1-CD2 3.11Å; H53-H384 AromaticContact CE1-CE1 3.97Å; H53-H384 AromaticContact CE1-CG 3.22Å; H53-H384 AromaticContact CE1-ND1 3.66Å; H53-H384 AromaticContact CE1-NE2 3.83Å; H53-H384 AromaticContact ND1-CD2 3.67Å; H53-H384 AromaticContact ND1-CE1 3.53Å; H53-H384 AromaticContact ND1-CG 3.18Å; H53-H384 AromaticContact ND1-ND1 3.12Å; H53-H384 PolarHBondContact ND1-ND1 3.38Å; H53-H384 VanDerWaalsContact ND1-ND1 3.12Å; H53-H384 AromaticContact ND1-NE2 3.85Å; T239-H384 HydrophobicContact CG2-CB 3.74Å; I380-H384 WeakPolarHBondContact O-CB 3.41Å; I380-H384 PolarHBondContact O-N 3.01Å; Q381-H384 PolarHBondContact O-N 3.38Å; H384-Q387 WeakPolarHBondContact O-CB 3.38Å; H384-Q387 PolarHBondContact O-N 3.4Å; H384-Y388 AromaticContact CE1-CE2 3.45Å; H384-Y388 VanDerWaalsContact CE1-CE2 3.45Å; H384-Y388 WeakPolarHBondContact CE1-CE2 3.5Å; H384-Y388 AromaticContact ND1-CE2 3.98Å; H384-Y388 AromaticContact NE2-CD2 3.89Å; H384-Y388 AromaticContact NE2-CE2 3.61Å; H384-Y388 WeakPolarHBondContact O-CD2 3.4Å; H384-Y388 PolarHBondContact O-N 3Å
385	L	80.1	Confident	79.7	Confident	57 Å²	57	81.3 Å²	81.3	30%	0.298	38%	0.376	S	S	.	.	H	α-helix	trans	-64.7	-39.8	177.1	-68.7	172	0	0	0	112.3	Q381 R382 M383 Q387 Y388 E389 L390 L391	Q381-L385 HydrophobicContact CG-CD1 4.48Å; Q381-L385 WeakPolarHBondContact O-CG 3.39Å; Q381-L385 PolarHBondContact O-N 3.26Å; R382-L385 PolarHBondContact O-N 2.98Å; M383-L385 PolarHBondContact O-N 3.28Å; L385-Q387 VanDerWaalsContact C-N 3.33Å; L385-Q387 PolarHBondContact O-N 3.13Å; L385-Y388 PolarHBondContact O-N 2.89Å; L385-E389 PolarHBondContact O-N 3.14Å; L385-L390 HydrophobicContact CB-CB 4.4Å; L385-L390 HydrophobicContact CD2-CB 4.12Å; L385-L390 HydrophobicContact CD2-CD1 3.92Å; L385-L390 PolarHBondContact O-N 3.23Å; L385-L391 HydrophobicContact CB-CD1 3.52Å; L385-L391 HydrophobicContact CB-CG 3.69Å; L385-L391 HydrophobicContact CD1-CD1 4.24Å; L385-L391 HydrophobicContact CD1-CG 4.33Å
386	R	78.6	Confident	79.3	Confident	149 Å²	149	80.4 Å²	80.4	56%	0.562	37%	0.367	S	S	*	.	H	α-helix	trans	-61.5	-39.7	173.5	-77.3	179.9	-178.4	175.7	-0.1	112.3	R382 M383 Y388 E389 L391	R382-R386 WeakPolarHBondContact O-CG 3.46Å; R382-R386 PolarHBondContact O-N 2.84Å; M383-R386 PolarHBondContact O-N 2.82Å; R386-Y388 PolarHBondContact O-N 3Å; R386-E389 PolarHBondContact O-N 2.93Å; R386-E389 VanDerWaalsContact O-N 3.11Å; R386-L391 HydrophobicContact CG-CB 4.01Å; R386-L391 HydrophobicContact CG-CD1 3.79Å
387	Q	76.4	Confident	78.5	Confident	79 Å²	79	85.7 Å²	85.7	37%	0.369	39%	0.391	S	S	.	.	H	α-helix	trans	-62.3	-27.6	179.8	-172.3	176.8	2.9	0	0	112.8	M383 H384 L385	M383-Q387 PolarHBondContact O-N 3.21Å; H384-Q387 WeakPolarHBondContact O-CB 3.38Å; H384-Q387 PolarHBondContact O-N 3.4Å; L385-Q387 VanDerWaalsContact C-N 3.33Å; L385-Q387 PolarHBondContact O-N 3.13Å
388	Y	76.9	Confident	78	Confident	79 Å²	79	87.1 Å²	87.1	31%	0.31	40%	0.401	S	S	.	.	T	Hydrogen-bonded Turn	trans	-100.6	13.8	177.3	-72.3	-72.1	0	0	0	113.9	R50 H384 L385 R386 L390	R50-Y388 HydrophobicContact CG-CE1 4.26Å; H384-Y388 AromaticContact CE1-CE2 3.45Å; H384-Y388 VanDerWaalsContact CE1-CE2 3.45Å; H384-Y388 WeakPolarHBondContact CE1-CE2 3.5Å; H384-Y388 AromaticContact ND1-CE2 3.98Å; H384-Y388 AromaticContact NE2-CD2 3.89Å; H384-Y388 AromaticContact NE2-CE2 3.61Å; H384-Y388 WeakPolarHBondContact O-CD2 3.4Å; H384-Y388 PolarHBondContact O-N 3Å; L385-Y388 PolarHBondContact O-N 2.89Å; R386-Y388 PolarHBondContact O-N 3Å; Y388-L390 PolarHBondContact O-N 3.39Å
389	E	74.7	Confident	77.7	Confident	181 Å²	181	87.4 Å²	87.4	85%	0.846	40%	0.398	S	S	*	.	T	Hydrogen-bonded Turn	trans	56	32.1	-179	-57.1	178.5	169	0	0	112.9	L385 R386	L385-E389 PolarHBondContact O-N 3.14Å; R386-E389 PolarHBondContact O-N 2.93Å; R386-E389 VanDerWaalsContact O-N 3.11Å
390	L	67.1	Low	77.1	Confident	121 Å²	121	92.1 Å²	92.1	63%	0.634	42%	0.418	S	S	*	.			trans	-94.7	1.5	179	-63.5	172.2	0	0	0	113	L385 Y388	L385-L390 HydrophobicContact CB-CB 4.4Å; L385-L390 HydrophobicContact CD2-CB 4.12Å; L385-L390 HydrophobicContact CD2-CD1 3.92Å; L385-L390 PolarHBondContact O-N 3.23Å; Y388-L390 PolarHBondContact O-N 3.39Å
391	L	57.2	Low	76.3	Confident	150 Å²	150	100.5 Å²	100.5	79%	0.785	46%	0.456	S	S	*	.			trans	-125.6	0	-178.2	-87.5	175.1	0	0	0	112.7	R382 L385 R386	R382-L391 HydrophobicContact CB-CD1 4.41Å; R382-L391 WeakPolarHBondContact O-CD1 3.25Å; L385-L391 HydrophobicContact CB-CD1 3.52Å; L385-L391 HydrophobicContact CB-CG 3.69Å; L385-L391 HydrophobicContact CD1-CD1 4.24Å; L385-L391 HydrophobicContact CD1-CG 4.33Å; R386-L391 HydrophobicContact CG-CB 4.01Å; R386-L391 HydrophobicContact CG-CD1 3.79Å

Retrieved 391 of 391 residues in 146.5 ms (Link to these results)

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