A0A087YJF1_POEFO Loading...

Tryptophan--tRNA ligase, mitochondrial

Catalyzes the attachment of tryptophan to tRNA(Trp) in a two-step reaction: tryptophan is first activated by ATP to form Trp-AMP and then transferred to the acceptor end of tRNA(Trp).

AlphaFold DB , UniProt , Accession A0A087YJF1, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 365 aa.

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(Predicted Aligned Error values between residue pairs)

Download Structure PDB PAE Table

Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	32.8	Very low	34	Very low	245 Å²	245	156.1 Å²	156.1	100%	1.207	81%	0.813	S	S	*	*				0	110.5	0	-86.3	179.3	174.7	0	0	108.3
2	A	29.5	Very low	34.4	Very low	109 Å²	109	153.9 Å²	153.9	90%	0.901	79%	0.792	S	S	*	*			trans	-77.6	130.5	179.8	0	0	0	0	0	110.3
3	L	30.5	Very low	34.6	Very low	164 Å²	164	148.7 Å²	148.7	86%	0.859	77%	0.765	S	S	*	*			trans	-111.5	144.5	166.2	-82.5	159.2	0	0	0	108.6
4	P	33.9	Very low	34.4	Very low	103 Å²	103	151.3 Å²	151.3	67%	0.669	76%	0.76	S	S	*	*			trans	-99.6	127.3	-152.3	28.2	-15.6	0	0	0	113.7	R6	P4-R6 PolarHBondContact O-N 2.96Å
5	L	35.8	Very low	34.5	Very low	180 Å²	180	149.7 Å²	149.7	94%	0.942	75%	0.754	S	S	*	*			trans	-69.6	28.1	174	-83.4	153.7	0	0	0	115
6	R	34.6	Very low	34.9	Very low	222 Å²	222	148.1 Å²	148.1	84%	0.838	75%	0.747	S	S	*	*			trans	-100.3	2.3	-170	-100.1	-175.8	175	-174.6	-0.7	116.3	P4	P4-R6 PolarHBondContact O-N 2.96Å
7	T	33.6	Very low	34.7	Very low	118 Å²	118	148.4 Å²	148.4	72%	0.724	75%	0.745	S	S	*	*	S	Bend	trans	-93.6	-16.9	-172.5	29.5	0	0	0	0	115.7
8	N	39.6	Very low	34.5	Very low	138 Å²	138	152.6 Å²	152.6	74%	0.738	75%	0.751	S	S	*	*	S	Bend	trans	-85.8	-22.5	-177.4	-101.7	-24.7	0	0	0	115.3	K10	N8-K10 PolarHBondContact O-N 3.28Å
9	L	35.7	Very low	34.6	Very low	130 Å²	130	154.6 Å²	154.6	68%	0.681	76%	0.755	S	S	*	*	H	α-helix	trans	-71.9	-32.9	-176.5	-153	77.5	0	0	0	112.7	I13	L9-I13 HydrophobicContact CG-CD1 4.31Å; L9-I13 WeakPolarHBondContact O-CD1 3.3Å; L9-I13 VanDerWaalsContact O-CG1 3.3Å; L9-I13 WeakPolarHBondContact O-CG1 3.44Å; L9-I13 PolarHBondContact O-N 3.49Å
10	K	31.9	Very low	34.3	Very low	164 Å²	164	156.2 Å²	156.2	71%	0.713	76%	0.758	S	S	*	*	H	α-helix	trans	-77.1	-25.8	-177.8	-70.7	-173	178.5	-178.2	0	113.8	N8	N8-K10 PolarHBondContact O-N 3.28Å
11	H	36.7	Very low	34	Very low	144 Å²	144	154.7 Å²	154.7	67%	0.667	76%	0.761	S	S	*	*	H	α-helix	trans	-74.6	-34.9	174.5	-106.4	73.6	0	0	0	111.6	R14 L15	H11-R14 PolarHBondContact O-N 3.45Å; H11-L15 PolarHBondContact O-N 3.16Å
12	F	38.7	Very low	33.9	Very low	130 Å²	130	150.1 Å²	150.1	57%	0.57	74%	0.74	S	S	*	*	H	α-helix	trans	-71.7	-40.7	179.4	-138.5	-98	0	0	0	112.6	R14 L15	F12-R14 VanDerWaalsContact C-N 3.26Å; F12-R14 PolarHBondContact O-N 3.48Å; F12-L15 PolarHBondContact O-N 3.45Å; F12-L15 VanDerWaalsContact O-N 3.16Å
13	I	36.2	Very low	34	Very low	86 Å²	86	155 Å²	155	44%	0.441	74%	0.741	S	S	.	*	H	α-helix	trans	-63.6	-31.2	176.2	-65.8	166.6	0	0	0	111.9	L9 Q17	L9-I13 HydrophobicContact CG-CD1 4.31Å; L9-I13 WeakPolarHBondContact O-CD1 3.3Å; L9-I13 VanDerWaalsContact O-CG1 3.3Å; L9-I13 WeakPolarHBondContact O-CG1 3.44Å; L9-I13 PolarHBondContact O-N 3.49Å; I13-Q17 PolarHBondContact O-N 3.31Å
14	R	31.8	Very low	33.9	Very low	185 Å²	185	156.3 Å²	156.3	70%	0.698	74%	0.735	S	S	*	*	H	α-helix	trans	-72.9	-24.2	176.6	-86.5	-176	172.9	-175.8	-1.4	114	H11 F12 I16	H11-R14 PolarHBondContact O-N 3.45Å; F12-R14 VanDerWaalsContact C-N 3.26Å; F12-R14 PolarHBondContact O-N 3.48Å; R14-I16 VanDerWaalsContact C-N 3.34Å
15	L	36.8	Very low	33.6	Very low	127 Å²	127	158.3 Å²	158.3	67%	0.665	75%	0.749	S	S	*	*	H	α-helix	trans	-72.1	-33.5	177.8	-151.2	79.7	0	0	0	111.2	H11 F12	H11-L15 PolarHBondContact O-N 3.16Å; F12-L15 PolarHBondContact O-N 3.45Å; F12-L15 VanDerWaalsContact O-N 3.16Å
16	I	39.8	Very low	33.3	Very low	125 Å²	125	158 Å²	158	64%	0.641	74%	0.74	S	S	*	*	H	α-helix	trans	-76.8	-31.7	-179.7	-60.3	173.8	0	0	0	111.6	R14 R18	R14-I16 VanDerWaalsContact C-N 3.34Å; I16-R18 VanDerWaalsContact C-N 3.33Å; I16-R18 PolarHBondContact O-N 3.38Å
17	Q	31.6	Very low	32.9	Very low	153 Å²	153	153.7 Å²	153.7	72%	0.715	74%	0.743	S	S	*	*	T	Hydrogen-bonded Turn	trans	-82	-0.2	-177.4	-72.9	-176.4	-20.2	0	0	115.3	I13	I13-Q17 PolarHBondContact O-N 3.31Å
18	R	32.5	Very low	32.6	Very low	223 Å²	223	152.8 Å²	152.8	84%	0.842	75%	0.748	S	S	*	*	T	Hydrogen-bonded Turn	trans	-90.3	-3.9	-175.5	-114.1	-177.7	174.8	-179.3	-2.1	115.5	I16 K20	I16-R18 VanDerWaalsContact C-N 3.33Å; I16-R18 PolarHBondContact O-N 3.38Å; R18-K20 PolarHBondContact O-N 3.26Å
19	F	35.2	Very low	32.1	Very low	192 Å²	192	150.4 Å²	150.4	84%	0.842	75%	0.747	S	S	*	*			trans	-87.3	83.8	176	-78.4	-85.9	0	0	0	111.4
20	K	29.8	Very low	31.7	Very low	185 Å²	185	149 Å²	149	80%	0.804	75%	0.754	S	S	*	*			trans	-84.2	141	154.7	-83.6	-174.1	176	-177.5	0	108.7	R18 L22	R18-K20 PolarHBondContact O-N 3.26Å; K20-L22 PolarHBondContact O-N 3.19Å
21	P	28.3	Very low	31.5	Very low	126 Å²	126	146.4 Å²	146.4	82%	0.818	76%	0.756	S	S	*	*			trans	-74.5	118.3	-177	30.7	-31.4	0	0	0	109.5	K23	P21-K23 PolarHBondContact O-N 2.95Å
22	L	29.4	Very low	31.2	Very low	148 Å²	148	145 Å²	145	78%	0.775	76%	0.76	S	S	*	*			trans	-70.3	115	161.4	-99.4	102.9	0	0	0	107.8	K20 R24	K20-L22 PolarHBondContact O-N 3.19Å; L22-R24 PolarHBondContact O-N 3.32Å
23	K	31.1	Very low	30.9	Very low	212 Å²	212	147 Å²	147	92%	0.922	77%	0.77	S	S	*	*			trans	-61.6	98	163.3	-77.8	-177.6	175	-177.5	0	108.4	P21	P21-K23 PolarHBondContact O-N 2.95Å
24	R	28.9	Very low	31.1	Very low	192 Å²	192	150.6 Å²	150.6	73%	0.725	79%	0.789	S	S	*	*			trans	-116	111.2	161.4	-87.3	-175.3	169.9	178.8	-3.6	108.3	L22 F26	L22-R24 PolarHBondContact O-N 3.32Å; R24-F26 HydrophobicContact CB-CD2 4.15Å; R24-F26 HydrophobicContact CB-CE2 4.13Å; R24-F26 PolarHBondContact O-N 3.17Å; R24-F26 VanDerWaalsContact O-N 3.17Å
25	C	28.7	Very low	32.2	Very low	144 Å²	144	150.3 Å²	150.3	97%	0.973	79%	0.793	S	S	*	*			trans	-56.1	111.2	163.7	-108.1	0	0	0	0	108.2
26	F	27.8	Very low	33.6	Very low	173 Å²	173	152.7 Å²	152.7	76%	0.759	80%	0.801	S	S	*	*			trans	-112.8	128.8	162.6	-90.9	-84.9	0	0	0	107.9	R24 A28	R24-F26 HydrophobicContact CB-CD2 4.15Å; R24-F26 HydrophobicContact CB-CE2 4.13Å; R24-F26 PolarHBondContact O-N 3.17Å; R24-F26 VanDerWaalsContact O-N 3.17Å; F26-A28 PolarHBondContact O-N 3.49Å
27	C	26.9	Very low	35.3	Very low	132 Å²	132	148.5 Å²	148.5	89%	0.892	78%	0.781	S	S	*	*			trans	-49.5	125.8	175	-70.2	0	0	0	0	110.3	A29	C27-A29 PolarHBondContact O-N 3.43Å; C27-A29 VanDerWaalsContact O-N 3.11Å
28	A	26.9	Very low	37.6	Very low	100 Å²	100	144.6 Å²	144.6	83%	0.826	77%	0.769	S	S	*	*			trans	-64.9	107.9	179.8	0	0	0	0	0	110.1	F26	F26-A28 PolarHBondContact O-N 3.49Å
29	A	30.2	Very low	39.8	Very low	88 Å²	88	142.1 Å²	142.1	73%	0.727	77%	0.772	S	S	*	*			trans	-64.4	128.3	150.9	0	0	0	0	0	106.7	C27 C31	C27-A29 PolarHBondContact O-N 3.43Å; C27-A29 VanDerWaalsContact O-N 3.11Å; A29-C31 PolarHBondContact O-N 2.88Å
30	A	27.2	Very low	42.2	Very low	99 Å²	99	139.1 Å²	139.1	82%	0.818	76%	0.764	S	S	*	*			trans	-51.3	112.1	-175.5	0	0	0	0	0	110.9
31	C	26.1	Very low	45.2	Very low	111 Å²	111	130.3 Å²	130.3	75%	0.75	73%	0.726	S	S	*	*			trans	-59	137	161.4	-72.2	0	0	0	0	107.5	A29 E33	A29-C31 PolarHBondContact O-N 2.88Å; C31-E33 PolarHBondContact O-N 3.19Å; C31-E33 VanDerWaalsContact O-N 3.1Å
32	P	32.1	Very low	48.5	Very low	115 Å²	115	127.1 Å²	127.1	75%	0.747	70%	0.698	S	S	*	*			trans	-56.8	123.2	167.9	23.9	-29.9	0	0	0	107.4	I34	P32-I34 PolarHBondContact O-N 3.31Å
33	E	31.6	Very low	51.8	Low	171 Å²	171	120.1 Å²	120.1	80%	0.799	66%	0.661	S	S	*	*			trans	-49.8	114.7	175.5	-75.4	177.3	158.4	0	0	108.7	C31 K35	C31-E33 PolarHBondContact O-N 3.19Å; C31-E33 VanDerWaalsContact O-N 3.1Å; E33-K35 PolarHBondContact O-N 3.11Å
34	I	40.8	Very low	54.9	Low	162 Å²	162	110.2 Å²	110.2	83%	0.831	62%	0.618	S	S	*	*			trans	-70.5	90.8	167.3	-57.9	173.1	0	0	0	104.6	P32 E36	P32-I34 PolarHBondContact O-N 3.31Å; I34-E36 PolarHBondContact O-N 2.99Å; I34-E36 VanDerWaalsContact O-N 3.08Å
35	K	54.3	Low	58.1	Low	178 Å²	178	101.5 Å²	101.5	77%	0.774	59%	0.587	S	S	*	*	P	Polyproline II helix	trans	-56.2	117.4	169.1	-80.1	-177.7	175.9	179.1	0	106.8	E33	E33-K35 PolarHBondContact O-N 3.11Å
36	E	66.6	Low	61.3	Low	178 Å²	178	96.4 Å²	96.4	83%	0.832	56%	0.559	S	S	*	*	P	Polyproline II helix	trans	-52.2	133	170.1	-71.4	-174.1	164.5	0	0	108.2	I34	I34-E36 PolarHBondContact O-N 2.99Å; I34-E36 VanDerWaalsContact O-N 3.08Å
37	P	75.6	Confident	64.4	Low	37 Å²	37	89.7 Å²	89.7	24%	0.24	53%	0.53	C	S	.	.	P	Polyproline II helix	trans	-63.5	145.6	-177.6	24	-29.7	0	0	0	109.4	A41 Q71 Y72	P37-A41 HydrophobicContact CB-CB 3.99Å; P37-Q71 WeakPolarHBondContact CG-O 3.43Å; P37-Y72 HydrophobicContact CB-CD1 3.6Å; P37-Y72 HydrophobicContact CB-CE1 3.43Å; P37-Y72 VanDerWaalsContact CB-CE1 3.43Å; P37-Y72 HydrophobicContact CB-CG 4.29Å; P37-Y72 HydrophobicContact CG-CD1 4Å; P37-Y72 HydrophobicContact CG-CE1 4.15Å; P37-Y72 HydrophobicContact CG-CG 4.2Å
38	P	79.7	Confident	67.6	Low	70 Å²	70	86.9 Å²	86.9	46%	0.455	50%	0.504	S	S	.	.	P	Polyproline II helix	trans	-50.4	147.5	176.2	-26.4	32.4	0	0	0	112	N40 A41	P38-N40 WeakPolarHBondContact CB-OD1 3.49Å; P38-N40 PolarHBondContact O-N 3.25Å; P38-N40 VanDerWaalsContact O-N 3.09Å; P38-A41 HydrophobicContact CB-CB 4.28Å; P38-A41 WeakPolarHBondContact O-CB 3.36Å; P38-A41 PolarHBondContact O-N 3.29Å
39	L	78.3	Confident	70.8	Confident	172 Å²	172	82.2 Å²	82.2	90%	0.901	47%	0.465	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.9	-24.3	179.8	-71.9	169	0	0	0	113.4	P73	L39-P73 WeakPolarHBondContact O-CG 3.37Å
40	N	85.6	Confident	73.3	Confident	128 Å²	128	81.2 Å²	81.2	68%	0.684	45%	0.45	S	S	*	.	T	Hydrogen-bonded Turn	trans	-92.8	4.7	174.8	66.2	-22.2	0	0	0	113.5	P38 R42	P38-N40 WeakPolarHBondContact CB-OD1 3.49Å; P38-N40 PolarHBondContact O-N 3.25Å; P38-N40 VanDerWaalsContact O-N 3.09Å; N40-R42 PolarHBondContact O-N 2.88Å
41	A	93.9	Very high	75.9	Confident	1 Å²	1	76.7 Å²	76.7	1%	0.008	41%	0.413	C	S	.	.			trans	-68	125.4	-178.2	0	0	0	0	0	110.7	P37 P38 Y72 P73 T179	P37-A41 HydrophobicContact CB-CB 3.99Å; P38-A41 HydrophobicContact CB-CB 4.28Å; P38-A41 WeakPolarHBondContact O-CB 3.36Å; P38-A41 PolarHBondContact O-N 3.29Å; A41-Y72 HydrophobicContact CB-CD1 3.71Å; A41-Y72 HydrophobicContact CB-CE1 3.99Å; A41-P73 WeakPolarHBondContact O-CG 3.49Å; A41-T179 WeakPolarHBondContact CA-OG1 3.25Å
42	R	96.9	Very high	78.7	Confident	59 Å²	59	73 Å²	73	22%	0.223	39%	0.387	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.6	130	177.3	-177.3	170.8	-76.7	169.8	1.3	110.9	N40 S74 L76 Y176 T179 H180	N40-R42 PolarHBondContact O-N 2.88Å; R42-S74 WeakPolarHBondContact CA-O 3.29Å; R42-S74 PolarHBondContact NE-OG 3.41Å; R42-L76 HydrophobicContact CG-CD1 3.56Å; R42-Y176 WeakPolarHBondContact CD-O 3.11Å; R42-Y176 PolarHBondContact NH1-O 3.07Å; R42-T179 PolarHBondContact N-OG1 3.34Å; R42-T179 PolarHBondContact O-N 3.21Å; R42-T179 PolarHBondContact O-OG1 2.95Å; R42-H180 PolarHBondContact O-N 3.44Å
43	V	97.6	Very high	81.6	Confident	0 Å²	0	67.5 Å²	67.5	0%	0	35%	0.351	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.7	132.6	176.9	177.4	0	0	0	0	109.6	L68 Y72 S74 V75 L76 H180 P182 L215	V43-L68 HydrophobicContact CG1-CD1 4.28Å; V43-Y72 HydrophobicContact CG2-CD1 3.56Å; V43-Y72 HydrophobicContact CG2-CD2 3.77Å; V43-Y72 HydrophobicContact CG2-CE1 3.99Å; V43-Y72 HydrophobicContact CG2-CE2 4.22Å; V43-Y72 HydrophobicContact CG2-CG 3.43Å; V43-Y72 VanDerWaalsContact CG2-CG 3.43Å; V43-S74 PolarHBondContact N-O 2.77Å; V43-V75 HydrophobicContact CB-CB 4.46Å; V43-V75 HydrophobicContact CB-CG1 4.2Å; V43-V75 HydrophobicContact CB-CG2 4.1Å; V43-V75 HydrophobicContact CG1-CG1 4.27Å; V43-V75 HydrophobicContact CG2-CG2 4.39Å; V43-L76 PolarHBondContact O-N 3.33Å; V43-H180 VanDerWaalsContact CA-O 3.3Å; V43-H180 WeakPolarHBondContact CA-O 3.38Å; V43-H180 HydrophobicContact CG2-CB 4.07Å; V43-P182 HydrophobicContact CG1-CG 4.17Å; V43-L215 HydrophobicContact CG2-CD1 4.41Å
44	F	97.9	Very high	84.5	Confident	5 Å²	5	59.8 Å²	59.8	2%	0.022	32%	0.315	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.2	134.7	168.7	-178	-84.5	0	0	0	110.5	L76 F118 D172 I173 Y176 S178 H180 V181 P182	F44-L76 WeakPolarHBondContact CA-O 3.33Å; F44-L76 HydrophobicContact CD2-CB 3.8Å; F44-L76 HydrophobicContact CE2-CB 4.43Å; F44-F118 HydrophobicContact CE2-CE1 4.04Å; F44-F118 AromaticContact CE2-CZ 3.91Å; F44-F118 HydrophobicContact CE2-CZ 3.91Å; F44-F118 HydrophobicContact CZ-CZ 4.46Å; F44-D172 HydrophobicContact CE1-CB 3.69Å; F44-D172 WeakPolarHBondContact CE2-O 3.46Å; F44-D172 HydrophobicContact CZ-CB 3.74Å; F44-D172 WeakPolarHBondContact CZ-O 3.49Å; F44-I173 HydrophobicContact CD1-CG1 4.03Å; F44-Y176 AromaticContact CD2-CD2 3.67Å; F44-Y176 HydrophobicContact CD2-CD2 3.67Å; F44-Y176 HydrophobicContact CD2-CE2 4.1Å; F44-Y176 AromaticContact CE2-CD2 3.71Å; F44-Y176 HydrophobicContact CE2-CD2 3.71Å; F44-Y176 AromaticContact CE2-CE2 3.65Å; F44-Y176 HydrophobicContact CE2-CE2 3.65Å; F44-S178 WeakPolarHBondContact CB-OG 3.25Å; F44-H180 PolarHBondContact N-O 2.87Å; F44-H180 VanDerWaalsContact N-O 3.1Å; F44-V181 WeakPolarHBondContact O-CG1 3.48Å; F44-P182 WeakPolarHBondContact O-CD 3.35Å
45	S	96.1	Very high	87	Confident	9 Å²	9	52.1 Å²	52.1	6%	0.063	28%	0.276	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-145.8	143	169.7	-155.3	0	0	0	0	111.7	W65 L76 Y77 S78 P182	S45-W65 WeakPolarHBondContact OG-CZ2 3.37Å; S45-L76 PolarHBondContact N-O 3.48Å; S45-Y77 WeakPolarHBondContact O-CA 3.32Å; S45-S78 PolarHBondContact O-N 2.91Å; S45-P182 PolarHBondContact OG-O 3.31Å
46	G	95.4	Very high	88.7	Confident	37 Å²	37	43.9 Å²	43.9	38%	0.381	24%	0.242	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.2	142.4	-179.8	0	0	0	0	0	111.9	S78	G46-S78 CarbonylContact C-O 3.44Å; G46-S78 VanDerWaalsContact CA-O 3.3Å; G46-S78 WeakPolarHBondContact CA-O 3.26Å
47	I	93.4	Very high	89.8	Confident	32 Å²	32	37.3 Å²	37.3	16%	0.164	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.4	130.3	171.6	-170.3	165.8	0	0	0	111.3	L62 W65 S78 I79 V80 M101 L105	I47-L62 HydrophobicContact CD1-CD2 4.46Å; I47-W65 HydrophobicContact CB-CH2 3.79Å; I47-W65 HydrophobicContact CB-CZ3 4.5Å; I47-W65 HydrophobicContact CG2-CH2 3.84Å; I47-W65 HydrophobicContact CG2-CZ3 4.09Å; I47-S78 PolarHBondContact N-O 3.47Å; I47-I79 WeakPolarHBondContact O-CA 3.43Å; I47-V80 WeakPolarHBondContact O-CG2 3.42Å; I47-V80 PolarHBondContact O-N 3.49Å; I47-M101 HydrophobicContact CD1-CE 3.96Å; I47-M101 HydrophobicContact CD1-SD 3.89Å; I47-M101 HydrophobicContact CG1-CE 4.08Å; I47-M101 HydrophobicContact CG1-SD 4.29Å; I47-M101 HydrophobicContact CG2-CG 4.11Å; I47-M101 HydrophobicContact CG2-SD 4.07Å; I47-L105 HydrophobicContact CG2-CD1 4.08Å
48	Q	94.3	Very high	90.5	Very high	73 Å²	73	35.7 Å²	35.7	34%	0.341	20%	0.201	S	C	.	.			trans	-70.2	133.3	178.1	-72	-178.4	6.3	0	0	110.6	T50 V80 H83	Q48-T50 VanDerWaalsContact C-N 3.27Å; Q48-T50 HydrophobicContact CB-CG2 4.14Å; Q48-T50 PolarHBondContact O-N 3.05Å; Q48-T50 PolarHBondContact O-OG1 3.28Å; Q48-V80 HydrophobicContact CB-CG2 4.43Å; Q48-V80 HydrophobicContact CG-CG2 3.81Å; Q48-H83 HydrophobicContact CG-CB 4.14Å
49	P	92.6	Very high	91	Very high	1 Å²	1	32.9 Å²	32.9	1%	0.006	18%	0.182	C	C	.	.			trans	-69.3	83.3	174.5	29.7	-37.3	0	0	0	110.9	G51 I79 D81 S84 L94 N97 I98	P49-G51 VanDerWaalsContact C-N 3.34Å; P49-I79 HydrophobicContact CB-CG2 3.77Å; P49-I79 HydrophobicContact CG-CG2 3.98Å; P49-D81 HydrophobicContact CG-CB 3.99Å; P49-S84 VanDerWaalsContact CD-OG 3.27Å; P49-S84 WeakPolarHBondContact CD-OG 3.45Å; P49-L94 HydrophobicContact CB-CD1 4.47Å; P49-L94 HydrophobicContact CG-CD1 3.79Å; P49-N97 HydrophobicContact CB-CB 4.26Å; P49-N97 WeakPolarHBondContact O-CB 3.11Å; P49-I98 HydrophobicContact CB-CB 4.36Å; P49-I98 HydrophobicContact CB-CG1 3.63Å; P49-I98 HydrophobicContact CG-CG1 3.74Å
50	T	83.7	Confident	91.2	Very high	68 Å²	68	25.3 Å²	25.3	42%	0.417	15%	0.146	S	C	.	.			trans	-102.3	26.2	177.9	46.6	0	0	0	0	111.3	Q48 K234	Q48-T50 VanDerWaalsContact C-N 3.27Å; Q48-T50 HydrophobicContact CB-CG2 4.14Å; Q48-T50 PolarHBondContact O-N 3.05Å; Q48-T50 PolarHBondContact O-OG1 3.28Å; T50-K234 PolarHBondContact O-NZ 3.41Å; T50-K234 WeakPolarHBondContact OG1-CD 3.47Å; T50-K234 PolarHBondContact OG1-NZ 2.74Å
51	G	80.6	Confident	91.2	Very high	4 Å²	4	21 Å²	21	4%	0.041	13%	0.128	C	C	.	.	S	Bend	trans	73.7	-162.1	-172.5	0	0	0	0	0	112.6	P49 N97 M101 K234	P49-G51 VanDerWaalsContact C-N 3.34Å; G51-N97 WeakPolarHBondContact CA-OD1 3.43Å; G51-N97 VanDerWaalsContact N-CG 3.27Å; G51-N97 PolarHBondContact N-OD1 2.99Å; G51-M101 WeakPolarHBondContact O-CE 3.36Å; G51-K234 PolarHBondContact O-NZ 3.4Å
52	V	85.2	Confident	91	Very high	32 Å²	32	21 Å²	21	19%	0.194	13%	0.128	C	C	.	.	S	Bend	trans	-55.6	130.2	-174.5	-177.8	0	0	0	0	111.9	D100 K234 S244 I245 T246	V52-D100 HydrophobicContact CG2-CB 4.22Å; V52-K234 VanDerWaalsContact O-CE 3.31Å; V52-K234 WeakPolarHBondContact O-CE 3.34Å; V52-K234 PolarHBondContact O-NZ 3.09Å; V52-S244 VanDerWaalsContact CG1-OG 3.26Å; V52-S244 WeakPolarHBondContact CG1-OG 3.4Å; V52-I245 HydrophobicContact CG1-CD1 4.28Å; V52-I245 HydrophobicContact CG1-CG1 3.58Å; V52-T246 HydrophobicContact CG1-CG2 3.61Å; V52-T246 HydrophobicContact CG2-CG2 4.21Å
53	P	92.5	Very high	90.5	Very high	0 Å²	0	20.8 Å²	20.8	0%	0	13%	0.129	C	C	.	.	P	Polyproline II helix	trans	-62.2	150	173.7	-21.7	32.7	0	0	0	113.1	N57 L62 M101 S104 I245	P53-N57 HydrophobicContact CB-CB 3.97Å; P53-L62 HydrophobicContact CB-CD1 4.09Å; P53-L62 HydrophobicContact CG-CD1 4Å; P53-M101 HydrophobicContact CG-CE 4.27Å; P53-M101 HydrophobicContact CG-SD 4.01Å; P53-S104 VanDerWaalsContact CD-CB 3.48Å; P53-S104 VanDerWaalsContact CD-OG 3.25Å; P53-S104 WeakPolarHBondContact CD-OG 3.49Å; P53-I245 HydrophobicContact CB-CD1 4.2Å; P53-I245 HydrophobicContact CG-CD1 4.14Å; P53-I245 WeakPolarHBondContact O-CG1 3.44Å; P53-I245 PolarHBondContact O-N 2.9Å; P53-I245 VanDerWaalsContact O-N 3.1Å
54	H	93.2	Very high	90.1	Very high	10 Å²	10	23 Å²	23	5%	0.046	14%	0.141	C	C	.	.	B	Isolated β-bridge	trans	-95.3	169.2	168.5	60.6	59.9	0	0	0	111.4	G56 N57 Y58 M232 K234 I243	H54-G56 WeakPolarHBondContact ND1-CA 3.42Å; H54-G56 PolarHBondContact ND1-N 3.24Å; H54-G56 VanDerWaalsContact ND1-N 3.13Å; H54-G56 PolarHBondContact O-N 3.09Å; H54-G56 VanDerWaalsContact O-N 3.14Å; H54-N57 PolarHBondContact CD2-OD1 3.5Å; H54-N57 VanDerWaalsContact CE1-CG 3.44Å; H54-N57 PolarHBondContact CE1-N 3.27Å; H54-N57 PolarHBondContact CE1-ND2 2.89Å; H54-N57 PolarHBondContact CE1-OD1 3.49Å; H54-N57 PolarHBondContact N-OD1 3.39Å; H54-N57 VanDerWaalsContact N-OD1 3.1Å; H54-N57 PolarHBondContact ND1-N 3.06Å; H54-N57 VanDerWaalsContact ND1-N 3.18Å; H54-N57 PolarHBondContact ND1-OD1 3.37Å; H54-N57 PolarHBondContact NE2-OD1 3.2Å; H54-N57 WeakPolarHBondContact O-CA 3.31Å; H54-N57 WeakPolarHBondContact O-CB 3.25Å; H54-N57 PolarHBondContact O-N 3.3Å; H54-Y58 PolarHBondContact O-N 3.36Å; H54-Y58 VanDerWaalsContact O-N 3.09Å; H54-M232 HydrophobicContact CB-SD 4.03Å; H54-M232 PolarHBondContact CE1-O 3.23Å; H54-M232 VanDerWaalsContact CE1-O 3.32Å; H54-M232 PolarHBondContact NE2-O 3.06Å; H54-K234 VanDerWaalsContact CD2-CG 3.42Å; H54-K234 WeakPolarHBondContact CD2-CG 3.45Å; H54-I243 CarbonylContact C-O 3.41Å; H54-I243 WeakPolarHBondContact CA-O 3.37Å; H54-I243 VanDerWaalsContact CB-O 3.22Å; H54-I243 WeakPolarHBondContact CB-O 3.36Å
55	L	93.4	Very high	89.9	Confident	0 Å²	0	23.2 Å²	23.2	0%	0	14%	0.142	C	C	.	.	H	α-helix	trans	-52.3	-39.3	-179	-174.7	63.7	0	0	0	112.7	N57 Y58 L59 M232 I243 I283 V287 V315 L319	L55-N57 VanDerWaalsContact C-N 3.35Å; L55-N57 PolarHBondContact O-N 3.08Å; L55-Y58 HydrophobicContact CD1-CD1 4.39Å; L55-Y58 WeakPolarHBondContact O-CB 3.43Å; L55-Y58 PolarHBondContact O-N 3.42Å; L55-L59 HydrophobicContact CD1-CD1 3.83Å; L55-L59 HydrophobicContact CD1-CG 3.95Å; L55-L59 HydrophobicContact CD2-CD1 4.41Å; L55-L59 HydrophobicContact CG-CD1 3.82Å; L55-L59 HydrophobicContact CG-CG 4.28Å; L55-L59 WeakPolarHBondContact O-CG 3.23Å; L55-L59 PolarHBondContact O-N 3.04Å; L55-M232 HydrophobicContact CB-SD 4.32Å; L55-I243 HydrophobicContact CB-CB 4.06Å; L55-I243 HydrophobicContact CB-CG2 4.36Å; L55-I243 HydrophobicContact CD2-CB 4.44Å; L55-I243 HydrophobicContact CD2-CD1 3.92Å; L55-I243 PolarHBondContact N-O 3.45Å; L55-I283 HydrophobicContact CD2-CG1 4.48Å; L55-I283 HydrophobicContact CD2-CG2 3.86Å; L55-V287 HydrophobicContact CD1-CG1 4.36Å; L55-V315 HydrophobicContact CD2-CG1 4.28Å; L55-V315 HydrophobicContact CD2-CG2 4.34Å; L55-L319 HydrophobicContact CD1-CD1 4.47Å; L55-L319 HydrophobicContact CD1-CD2 4.42Å
56	G	89.8	Confident	89.8	Confident	6 Å²	6	24.4 Å²	24.4	6%	0.062	15%	0.149	C	C	.	.	H	α-helix	trans	-62.7	-31.7	173.8	0	0	0	0	0	115.4	H54 G60	H54-G56 WeakPolarHBondContact ND1-CA 3.42Å; H54-G56 PolarHBondContact ND1-N 3.24Å; H54-G56 VanDerWaalsContact ND1-N 3.13Å; H54-G56 PolarHBondContact O-N 3.09Å; H54-G56 VanDerWaalsContact O-N 3.14Å; G56-G60 WeakPolarHBondContact O-CA 3.34Å; G56-G60 PolarHBondContact O-N 3.41Å
57	N	89.9	Confident	89.7	Confident	39 Å²	39	24.3 Å²	24.3	21%	0.209	14%	0.144	C	C	.	.	H	α-helix	trans	-74.6	-40.2	173	-55.3	129.9	0	0	0	110.4	P53 H54 L55 G60 A61 L62 K234	P53-N57 HydrophobicContact CB-CB 3.97Å; H54-N57 PolarHBondContact CD2-OD1 3.5Å; H54-N57 VanDerWaalsContact CE1-CG 3.44Å; H54-N57 PolarHBondContact CE1-N 3.27Å; H54-N57 PolarHBondContact CE1-ND2 2.89Å; H54-N57 PolarHBondContact CE1-OD1 3.49Å; H54-N57 PolarHBondContact N-OD1 3.39Å; H54-N57 VanDerWaalsContact N-OD1 3.1Å; H54-N57 PolarHBondContact ND1-N 3.06Å; H54-N57 VanDerWaalsContact ND1-N 3.18Å; H54-N57 PolarHBondContact ND1-OD1 3.37Å; H54-N57 PolarHBondContact NE2-OD1 3.2Å; H54-N57 WeakPolarHBondContact O-CA 3.31Å; H54-N57 WeakPolarHBondContact O-CB 3.25Å; H54-N57 PolarHBondContact O-N 3.3Å; L55-N57 VanDerWaalsContact C-N 3.35Å; L55-N57 PolarHBondContact O-N 3.08Å; N57-G60 PolarHBondContact O-N 3.39Å; N57-A61 PolarHBondContact O-N 2.97Å; N57-L62 PolarHBondContact O-N 2.89Å; N57-K234 VanDerWaalsContact OD1-CE 3.3Å; N57-K234 WeakPolarHBondContact OD1-CE 3.4Å
58	Y	91.3	Very high	89.7	Confident	3 Å²	3	23 Å²	23	1%	0.012	14%	0.138	C	C	.	.	I	π-helix	trans	-59.5	-57.6	179.7	179.5	-111.3	0	0	0	111.8	H54 L55 G60 L62 E63 C108 I245 R318 L319 I322	H54-Y58 PolarHBondContact O-N 3.36Å; H54-Y58 VanDerWaalsContact O-N 3.09Å; L55-Y58 HydrophobicContact CD1-CD1 4.39Å; L55-Y58 WeakPolarHBondContact O-CB 3.43Å; L55-Y58 PolarHBondContact O-N 3.42Å; Y58-G60 VanDerWaalsContact C-N 3.3Å; Y58-G60 PolarHBondContact O-N 2.74Å; Y58-L62 HydrophobicContact CD2-CB 4.16Å; Y58-L62 HydrophobicContact CD2-CD1 4.47Å; Y58-L62 PolarHBondContact O-N 3.2Å; Y58-E63 HydrophobicContact CD1-CG 4.45Å; Y58-E63 HydrophobicContact CE1-CG 3.96Å; Y58-E63 HydrophobicContact CE2-CG 4.1Å; Y58-E63 PolarHBondContact O-N 3.28Å; Y58-C108 HydrophobicContact CD2-CB 4.39Å; Y58-C108 VanDerWaalsContact CD2-SG 3.56Å; Y58-C108 HydrophobicContact CE2-CB 4.03Å; Y58-I245 HydrophobicContact CG-CG2 4.45Å; Y58-R318 HydrophobicContact CE1-CG 4.39Å; Y58-R318 PolarHBondContact OH-NH1 3.05Å; Y58-R318 PolarHBondContact OH-NH2 3.4Å; Y58-L319 HydrophobicContact CD1-CD2 4.41Å; Y58-I322 HydrophobicContact CD2-CD1 4.43Å; Y58-I322 HydrophobicContact CE1-CD1 4.13Å; Y58-I322 HydrophobicContact CE2-CD1 3.63Å; Y58-I322 VanDerWaalsContact CZ-CD1 3.45Å; Y58-I322 WeakPolarHBondContact OH-CD1 3.41Å
59	L	88.8	Confident	89.7	Confident	11 Å²	11	20.2 Å²	20.2	6%	0.058	12%	0.124	C	C	.	.	I	π-helix	trans	-73.5	-22.8	-179.9	-60.4	178.2	0	0	0	113.1	L55 V222 A286 V287	L55-L59 HydrophobicContact CD1-CD1 3.83Å; L55-L59 HydrophobicContact CD1-CG 3.95Å; L55-L59 HydrophobicContact CD2-CD1 4.41Å; L55-L59 HydrophobicContact CG-CD1 3.82Å; L55-L59 HydrophobicContact CG-CG 4.28Å; L55-L59 WeakPolarHBondContact O-CG 3.23Å; L55-L59 PolarHBondContact O-N 3.04Å; L59-V222 HydrophobicContact CB-CG2 4.23Å; L59-V222 HydrophobicContact CD1-CG2 3.95Å; L59-A286 HydrophobicContact CD1-CB 3.69Å; L59-A286 HydrophobicContact CD2-CB 3.96Å; L59-A286 HydrophobicContact CG-CB 4.31Å; L59-V287 HydrophobicContact CD1-CG1 4.23Å; L59-V287 HydrophobicContact CD2-CG1 4.29Å
60	G	83.4	Confident	89.8	Confident	13 Å²	13	24.5 Å²	24.5	13%	0.134	15%	0.148	C	C	.	.	I	π-helix	trans	-86.4	-34.7	-177.5	0	0	0	0	0	113.8	G56 N57 Y58 T219	G56-G60 WeakPolarHBondContact O-CA 3.34Å; G56-G60 PolarHBondContact O-N 3.41Å; N57-G60 PolarHBondContact O-N 3.39Å; Y58-G60 VanDerWaalsContact C-N 3.3Å; Y58-G60 PolarHBondContact O-N 2.74Å; G60-T219 WeakPolarHBondContact O-CB 3.26Å; G60-T219 WeakPolarHBondContact O-CG2 3.31Å
61	A	84.9	Confident	90.3	Very high	37 Å²	37	26.6 Å²	26.6	31%	0.306	15%	0.152	S	C	.	.	I	π-helix	trans	-138.3	-45.7	-171.9	0	0	0	0	0	113.5	N57 E63 N64 W65	N57-A61 PolarHBondContact O-N 2.97Å; A61-E63 PolarHBondContact O-N 3.02Å; A61-N64 WeakPolarHBondContact O-CB 3.47Å; A61-N64 PolarHBondContact O-N 3.3Å; A61-N64 VanDerWaalsContact O-N 3.13Å; A61-W65 VanDerWaalsContact O-CD1 3.26Å; A61-W65 PolarHBondContact O-N 2.99Å
62	L	89.6	Confident	90.9	Very high	2 Å²	2	28.1 Å²	28.1	1%	0.01	16%	0.157	C	C	.	.	I	π-helix	trans	-68.1	-38.4	-169.9	-58.1	-174.9	0	0	0	112.9	I47 P53 N57 Y58 N64 W65 V66 L105	I47-L62 HydrophobicContact CD1-CD2 4.46Å; P53-L62 HydrophobicContact CB-CD1 4.09Å; P53-L62 HydrophobicContact CG-CD1 4Å; N57-L62 PolarHBondContact O-N 2.89Å; Y58-L62 HydrophobicContact CD2-CB 4.16Å; Y58-L62 HydrophobicContact CD2-CD1 4.47Å; Y58-L62 PolarHBondContact O-N 3.2Å; L62-N64 VanDerWaalsContact C-N 3.26Å; L62-N64 PolarHBondContact O-N 2.87Å; L62-W65 HydrophobicContact CD2-CD2 4.46Å; L62-W65 HydrophobicContact CD2-CE3 4.24Å; L62-W65 WeakPolarHBondContact O-CB 3.42Å; L62-W65 PolarHBondContact O-N 3.2Å; L62-V66 WeakPolarHBondContact O-CG2 3.25Å; L62-V66 PolarHBondContact O-N 2.94Å; L62-L105 HydrophobicContact CD1-CD2 4.35Å; L62-L105 HydrophobicContact CD2-CD2 3.41Å; L62-L105 VanDerWaalsContact CD2-CD2 3.41Å; L62-L105 HydrophobicContact CG-CD2 4.49Å
63	E	87.8	Confident	91.3	Very high	54 Å²	54	30.5 Å²	30.5	25%	0.252	17%	0.173	S	C	.	.	H	α-helix	trans	-60.5	-38.3	173.4	-74.8	-166.3	141.4	0	0	112	Y58 A61 V66 A67 R318	Y58-E63 HydrophobicContact CD1-CG 4.45Å; Y58-E63 HydrophobicContact CE1-CG 3.96Å; Y58-E63 HydrophobicContact CE2-CG 4.1Å; Y58-E63 PolarHBondContact O-N 3.28Å; A61-E63 PolarHBondContact O-N 3.02Å; E63-V66 PolarHBondContact O-N 2.81Å; E63-A67 PolarHBondContact O-N 3.22Å; E63-A67 VanDerWaalsContact O-N 3.15Å; E63-R318 IonicContact OE1-CZ 3.51Å; E63-R318 IonicContact OE1-NE 3.53Å; E63-R318 IonicContact OE1-NH2 2.69Å; E63-R318 PolarHBondContact OE1-NH2 3.29Å
64	N	89.3	Confident	91.5	Very high	46 Å²	46	31.8 Å²	31.8	25%	0.246	18%	0.182	C	C	.	.	H	α-helix	trans	-66.6	-41.1	175.7	-174.3	47.7	0	0	0	111.2	A61 L62 V66 A67 L68	A61-N64 WeakPolarHBondContact O-CB 3.47Å; A61-N64 PolarHBondContact O-N 3.3Å; A61-N64 VanDerWaalsContact O-N 3.13Å; L62-N64 VanDerWaalsContact C-N 3.26Å; L62-N64 PolarHBondContact O-N 2.87Å; N64-V66 VanDerWaalsContact C-N 3.32Å; N64-V66 PolarHBondContact O-N 2.64Å; N64-A67 WeakPolarHBondContact O-CB 3.5Å; N64-A67 PolarHBondContact O-N 3.06Å; N64-A67 VanDerWaalsContact O-N 3.09Å; N64-L68 VanDerWaalsContact O-CG 3.31Å; N64-L68 WeakPolarHBondContact O-CG 3.47Å; N64-L68 PolarHBondContact O-N 3.39Å
65	W	93.1	Very high	91.7	Very high	11 Å²	11	31.4 Å²	31.4	4%	0.042	18%	0.181	C	C	.	.	H	α-helix	trans	-59.2	-43.8	175.3	-72.9	18.5	0	0	0	112	S45 I47 A61 L62 A67 L68 Q69 Y77 L105 I110	S45-W65 WeakPolarHBondContact OG-CZ2 3.37Å; I47-W65 HydrophobicContact CB-CH2 3.79Å; I47-W65 HydrophobicContact CB-CZ3 4.5Å; I47-W65 HydrophobicContact CG2-CH2 3.84Å; I47-W65 HydrophobicContact CG2-CZ3 4.09Å; A61-W65 VanDerWaalsContact O-CD1 3.26Å; A61-W65 PolarHBondContact O-N 2.99Å; L62-W65 HydrophobicContact CD2-CD2 4.46Å; L62-W65 HydrophobicContact CD2-CE3 4.24Å; L62-W65 WeakPolarHBondContact O-CB 3.42Å; L62-W65 PolarHBondContact O-N 3.2Å; W65-A67 PolarHBondContact O-N 2.98Å; W65-L68 PolarHBondContact O-N 2.84Å; W65-Q69 PolarHBondContact O-N 3.42Å; W65-Y77 VanDerWaalsContact CA-OH 3.23Å; W65-Y77 WeakPolarHBondContact CA-OH 3.37Å; W65-Y77 HydrophobicContact CB-CE1 3.84Å; W65-Y77 HydrophobicContact CB-CE2 4.19Å; W65-Y77 WeakPolarHBondContact CB-OH 3.48Å; W65-Y77 AromaticContact CD2-CD1 3.51Å; W65-Y77 HydrophobicContact CD2-CD1 3.51Å; W65-Y77 AromaticContact CD2-CE1 3.34Å; W65-Y77 HydrophobicContact CD2-CE1 3.34Å; W65-Y77 HydrophobicContact CD2-CG 4.31Å; W65-Y77 AromaticContact CE2-CE1 3.91Å; W65-Y77 AromaticContact CE3-CD1 3.21Å; W65-Y77 HydrophobicContact CE3-CD1 3.21Å; W65-Y77 HydrophobicContact CE3-CD2 4.22Å; W65-Y77 AromaticContact CE3-CE1 3.53Å; W65-Y77 HydrophobicContact CE3-CE1 3.53Å; W65-Y77 HydrophobicContact CE3-CE2 4.46Å; W65-Y77 AromaticContact CE3-CG 3.61Å; W65-Y77 HydrophobicContact CE3-CG 3.61Å; W65-Y77 HydrophobicContact CG-CD1 4.17Å; W65-Y77 AromaticContact CG-CE1 3.5Å; W65-Y77 HydrophobicContact CG-CE1 3.5Å; W65-Y77 VanDerWaalsContact CG-CE1 3.5Å; W65-Y77 AromaticContact CG-CZ 3.79Å; W65-Y77 AromaticContact CH2-CD1 3.97Å; W65-Y77 HydrophobicContact CH2-CD1 3.97Å; W65-Y77 HydrophobicContact CZ2-CD1 4.26Å; W65-Y77 AromaticContact CZ3-CD1 3.45Å; W65-Y77 HydrophobicContact CZ3-CD1 3.45Å; W65-Y77 VanDerWaalsContact CZ3-CD1 3.45Å; W65-Y77 HydrophobicContact CZ3-CE1 4.2Å; W65-Y77 AromaticContact CZ3-CG 3.79Å; W65-Y77 HydrophobicContact CZ3-CG 3.79Å; W65-Y77 PolarHBondContact O-OH 3.27Å; W65-L105 HydrophobicContact CE3-CD2 4.12Å; W65-L105 HydrophobicContact CZ3-CD2 4.01Å; W65-I110 HydrophobicContact CB-CD1 3.89Å
66	V	93.8	Very high	91.9	Very high	34 Å²	34	31.4 Å²	31.4	21%	0.206	18%	0.181	C	C	.	.	H	α-helix	trans	-62.4	-31.5	176.3	175.1	0	0	0	0	112.1	L62 E63 N64 Q69 N70 C108 I110	L62-V66 WeakPolarHBondContact O-CG2 3.25Å; L62-V66 PolarHBondContact O-N 2.94Å; E63-V66 PolarHBondContact O-N 2.81Å; N64-V66 VanDerWaalsContact C-N 3.32Å; N64-V66 PolarHBondContact O-N 2.64Å; V66-Q69 WeakPolarHBondContact O-CG 3.33Å; V66-Q69 PolarHBondContact O-NE2 2.92Å; V66-N70 PolarHBondContact O-ND2 2.9Å; V66-C108 WeakPolarHBondContact CG2-O 3.31Å; V66-I110 HydrophobicContact CG2-CD1 3.81Å; V66-I110 HydrophobicContact CG2-CG1 4.28Å
67	A	92.5	Very high	92.4	Very high	34 Å²	34	31.1 Å²	31.1	28%	0.281	18%	0.178	S	C	.	.	H	α-helix	trans	-72.2	-44.7	173.3	0	0	0	0	0	112	E63 N64 W65 Q69 N70 Q71	E63-A67 PolarHBondContact O-N 3.22Å; E63-A67 VanDerWaalsContact O-N 3.15Å; N64-A67 WeakPolarHBondContact O-CB 3.5Å; N64-A67 PolarHBondContact O-N 3.06Å; N64-A67 VanDerWaalsContact O-N 3.09Å; W65-A67 PolarHBondContact O-N 2.98Å; A67-Q69 PolarHBondContact O-N 3.28Å; A67-N70 PolarHBondContact O-N 3.01Å; A67-Q71 WeakPolarHBondContact O-CG 3.26Å; A67-Q71 PolarHBondContact O-N 3.27Å
68	L	93.7	Very high	92.8	Very high	6 Å²	6	29.2 Å²	29.2	3%	0.031	17%	0.168	C	C	.	.	H	α-helix	trans	-60.3	-38.5	-175.5	-71.7	171.3	0	0	0	113.3	V43 N64 W65 N70 Q71 Y72 P182 L215	V43-L68 HydrophobicContact CG1-CD1 4.28Å; N64-L68 VanDerWaalsContact O-CG 3.31Å; N64-L68 WeakPolarHBondContact O-CG 3.47Å; N64-L68 PolarHBondContact O-N 3.39Å; W65-L68 PolarHBondContact O-N 2.84Å; L68-N70 PolarHBondContact O-N 2.67Å; L68-N70 VanDerWaalsContact O-N 3.1Å; L68-Q71 PolarHBondContact O-N 3.47Å; L68-Y72 HydrophobicContact CB-CD2 4.49Å; L68-Y72 HydrophobicContact CD2-CD2 3.74Å; L68-Y72 HydrophobicContact CD2-CE2 3.44Å; L68-Y72 VanDerWaalsContact CD2-CE2 3.44Å; L68-Y72 PolarHBondContact O-N 3.48Å; L68-P182 HydrophobicContact CD1-CB 4.03Å; L68-P182 HydrophobicContact CD1-CG 3.87Å; L68-L215 HydrophobicContact CD1-CD1 4.43Å; L68-L215 HydrophobicContact CD2-CD1 3.92Å
69	Q	94.9	Very high	93.1	Very high	13 Å²	13	29.1 Å²	29.1	6%	0.061	17%	0.167	C	C	.	.	H	α-helix	trans	-61.8	-15.3	174.9	61.6	166.7	-9	0	0	114.6	W65 V66 A67 G109 K114 A115	W65-Q69 PolarHBondContact O-N 3.42Å; V66-Q69 WeakPolarHBondContact O-CG 3.33Å; V66-Q69 PolarHBondContact O-NE2 2.92Å; A67-Q69 PolarHBondContact O-N 3.28Å; Q69-G109 PolarHBondContact NE2-O 3.07Å; Q69-K114 HydrophobicContact CB-CB 4.44Å; Q69-A115 HydrophobicContact CB-CB 4.1Å
70	N	94.3	Very high	93.5	Very high	92 Å²	92	29 Å²	29	49%	0.492	17%	0.167	S	C	.	.	H	α-helix	trans	-102.5	-13.1	175.2	-61.4	-66.5	0	0	0	112.4	V66 A67 L68 K114	V66-N70 PolarHBondContact O-ND2 2.9Å; A67-N70 PolarHBondContact O-N 3.01Å; L68-N70 PolarHBondContact O-N 2.67Å; L68-N70 VanDerWaalsContact O-N 3.1Å; N70-K114 PolarHBondContact OD1-NZ 3.18Å
71	Q	93.6	Very high	94.2	Very high	111 Å²	111	29 Å²	29	52%	0.519	16%	0.164	S	C	.	.	H	α-helix	trans	-98.1	-36	-178.4	-68.6	172.6	7.2	0	0	111.8	P37 A67 L68	P37-Q71 WeakPolarHBondContact CG-O 3.43Å; A67-Q71 WeakPolarHBondContact O-CG 3.26Å; A67-Q71 PolarHBondContact O-N 3.27Å; L68-Q71 PolarHBondContact O-N 3.47Å
72	Y	94.5	Very high	94.8	Very high	36 Å²	36	29.5 Å²	29.5	14%	0.141	16%	0.161	C	C	.	.	S	Bend	trans	-105.7	145.1	-176.3	-72.9	-99.8	0	0	0	111.2	P37 A41 V43 L68 S74 H180 L215	P37-Y72 HydrophobicContact CB-CD1 3.6Å; P37-Y72 HydrophobicContact CB-CE1 3.43Å; P37-Y72 VanDerWaalsContact CB-CE1 3.43Å; P37-Y72 HydrophobicContact CB-CG 4.29Å; P37-Y72 HydrophobicContact CG-CD1 4Å; P37-Y72 HydrophobicContact CG-CE1 4.15Å; P37-Y72 HydrophobicContact CG-CG 4.2Å; A41-Y72 HydrophobicContact CB-CD1 3.71Å; A41-Y72 HydrophobicContact CB-CE1 3.99Å; V43-Y72 HydrophobicContact CG2-CD1 3.56Å; V43-Y72 HydrophobicContact CG2-CD2 3.77Å; V43-Y72 HydrophobicContact CG2-CE1 3.99Å; V43-Y72 HydrophobicContact CG2-CE2 4.22Å; V43-Y72 HydrophobicContact CG2-CG 3.43Å; V43-Y72 VanDerWaalsContact CG2-CG 3.43Å; L68-Y72 HydrophobicContact CB-CD2 4.49Å; L68-Y72 HydrophobicContact CD2-CD2 3.74Å; L68-Y72 HydrophobicContact CD2-CE2 3.44Å; L68-Y72 VanDerWaalsContact CD2-CE2 3.44Å; L68-Y72 PolarHBondContact O-N 3.48Å; Y72-S74 VanDerWaalsContact C-N 3.32Å; Y72-S74 PolarHBondContact O-N 3.38Å; Y72-H180 HydrophobicContact CE1-CB 4.39Å; Y72-H180 AromaticContact CE1-CG 3.88Å; Y72-H180 AromaticContact CE1-ND1 3.76Å; Y72-L215 HydrophobicContact CE2-CD1 4.28Å
73	P	93.1	Very high	95.1	Very high	82 Å²	82	29.8 Å²	29.8	53%	0.532	16%	0.163	S	C	.	.	S	Bend	trans	-72.4	-24.7	-177.4	28.3	-34.3	0	0	0	113.3	L39 A41	L39-P73 WeakPolarHBondContact O-CG 3.37Å; A41-P73 WeakPolarHBondContact O-CG 3.49Å
74	S	96.3	Very high	95.4	Very high	27 Å²	27	27.4 Å²	27.4	19%	0.189	15%	0.152	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.7	119.5	-179.3	-176.6	0	0	0	0	110.4	R42 V43 Y72	R42-S74 WeakPolarHBondContact CA-O 3.29Å; R42-S74 PolarHBondContact NE-OG 3.41Å; V43-S74 PolarHBondContact N-O 2.77Å; Y72-S74 VanDerWaalsContact C-N 3.32Å; Y72-S74 PolarHBondContact O-N 3.38Å
75	V	98	Very high	95.7	Very high	2 Å²	2	30.2 Å²	30.2	1%	0.012	17%	0.166	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.2	131	-177.3	-177.6	0	0	0	0	110.8	V43 Y77 A115 I116	V43-V75 HydrophobicContact CB-CB 4.46Å; V43-V75 HydrophobicContact CB-CG1 4.2Å; V43-V75 HydrophobicContact CB-CG2 4.1Å; V43-V75 HydrophobicContact CG1-CG1 4.27Å; V43-V75 HydrophobicContact CG2-CG2 4.39Å; V75-Y77 HydrophobicContact CG1-CD2 4.09Å; V75-Y77 HydrophobicContact CG1-CE1 3.89Å; V75-Y77 HydrophobicContact CG1-CE2 3.35Å; V75-Y77 VanDerWaalsContact CG1-OH 3.23Å; V75-Y77 WeakPolarHBondContact CG1-OH 3.39Å; V75-A115 HydrophobicContact CB-CB 4.16Å; V75-A115 HydrophobicContact CG1-CB 4.22Å; V75-A115 WeakPolarHBondContact O-CA 3.44Å; V75-I116 PolarHBondContact O-N 3.31Å
76	L	98.5	Very high	95.6	Very high	0 Å²	0	30.6 Å²	30.6	0%	0	17%	0.17	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.8	129.7	179.3	-62.3	93.7	0	0	0	110.1	R42 V43 F44 S45 I116 F118 Y176 L350	R42-L76 HydrophobicContact CG-CD1 3.56Å; V43-L76 PolarHBondContact O-N 3.33Å; F44-L76 WeakPolarHBondContact CA-O 3.33Å; F44-L76 HydrophobicContact CD2-CB 3.8Å; F44-L76 HydrophobicContact CE2-CB 4.43Å; S45-L76 PolarHBondContact N-O 3.48Å; L76-I116 WeakPolarHBondContact CA-O 3.34Å; L76-I116 HydrophobicContact CD2-CB 4.45Å; L76-I116 HydrophobicContact CD2-CD1 4.21Å; L76-I116 HydrophobicContact CG-CB 4.18Å; L76-I116 HydrophobicContact CG-CD1 4.28Å; L76-F118 HydrophobicContact CB-CE1 4.45Å; L76-F118 HydrophobicContact CD2-CE1 4.49Å; L76-Y176 HydrophobicContact CD2-CD1 3.46Å; L76-Y176 VanDerWaalsContact CD2-CD1 3.46Å; L76-Y176 HydrophobicContact CD2-CD2 4.13Å; L76-Y176 HydrophobicContact CD2-CE1 3.75Å; L76-Y176 HydrophobicContact CD2-CE2 4.4Å; L76-Y176 HydrophobicContact CD2-CG 3.67Å; L76-L350 HydrophobicContact CD2-CD1 4.16Å
77	Y	98.3	Very high	95.2	Very high	0 Å²	0	32.3 Å²	32.3	0%	0	18%	0.175	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.5	120.9	174.4	-63.7	-53.3	0	0	0	109.6	S45 W65 V75 I110 A115 I116 L117 F118	S45-Y77 WeakPolarHBondContact O-CA 3.32Å; W65-Y77 VanDerWaalsContact CA-OH 3.23Å; W65-Y77 WeakPolarHBondContact CA-OH 3.37Å; W65-Y77 HydrophobicContact CB-CE1 3.84Å; W65-Y77 HydrophobicContact CB-CE2 4.19Å; W65-Y77 WeakPolarHBondContact CB-OH 3.48Å; W65-Y77 AromaticContact CD2-CD1 3.51Å; W65-Y77 HydrophobicContact CD2-CD1 3.51Å; W65-Y77 AromaticContact CD2-CE1 3.34Å; W65-Y77 HydrophobicContact CD2-CE1 3.34Å; W65-Y77 HydrophobicContact CD2-CG 4.31Å; W65-Y77 AromaticContact CE2-CE1 3.91Å; W65-Y77 AromaticContact CE3-CD1 3.21Å; W65-Y77 HydrophobicContact CE3-CD1 3.21Å; W65-Y77 HydrophobicContact CE3-CD2 4.22Å; W65-Y77 AromaticContact CE3-CE1 3.53Å; W65-Y77 HydrophobicContact CE3-CE1 3.53Å; W65-Y77 HydrophobicContact CE3-CE2 4.46Å; W65-Y77 AromaticContact CE3-CG 3.61Å; W65-Y77 HydrophobicContact CE3-CG 3.61Å; W65-Y77 HydrophobicContact CG-CD1 4.17Å; W65-Y77 AromaticContact CG-CE1 3.5Å; W65-Y77 HydrophobicContact CG-CE1 3.5Å; W65-Y77 VanDerWaalsContact CG-CE1 3.5Å; W65-Y77 AromaticContact CG-CZ 3.79Å; W65-Y77 AromaticContact CH2-CD1 3.97Å; W65-Y77 HydrophobicContact CH2-CD1 3.97Å; W65-Y77 HydrophobicContact CZ2-CD1 4.26Å; W65-Y77 AromaticContact CZ3-CD1 3.45Å; W65-Y77 HydrophobicContact CZ3-CD1 3.45Å; W65-Y77 VanDerWaalsContact CZ3-CD1 3.45Å; W65-Y77 HydrophobicContact CZ3-CE1 4.2Å; W65-Y77 AromaticContact CZ3-CG 3.79Å; W65-Y77 HydrophobicContact CZ3-CG 3.79Å; W65-Y77 PolarHBondContact O-OH 3.27Å; V75-Y77 HydrophobicContact CG1-CD2 4.09Å; V75-Y77 HydrophobicContact CG1-CE1 3.89Å; V75-Y77 HydrophobicContact CG1-CE2 3.35Å; V75-Y77 VanDerWaalsContact CG1-OH 3.23Å; V75-Y77 WeakPolarHBondContact CG1-OH 3.39Å; Y77-I110 HydrophobicContact CD2-CD1 3.92Å; Y77-I110 HydrophobicContact CD2-CG2 3.98Å; Y77-I110 HydrophobicContact CE2-CD1 3.63Å; Y77-I110 HydrophobicContact CE2-CG2 4.47Å; Y77-A115 HydrophobicContact CD2-CB 3.98Å; Y77-A115 HydrophobicContact CE2-CB 4.01Å; Y77-I116 PolarHBondContact N-O 3.08Å; Y77-L117 WeakPolarHBondContact O-CA 3.44Å; Y77-F118 WeakPolarHBondContact O-CD1 3.44Å; Y77-F118 PolarHBondContact O-N 2.97Å
78	S	98.4	Very high	95	Very high	0 Å²	0	36.6 Å²	36.6	0%	0	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.7	129.1	-177.8	-164.7	0	0	0	0	111.2	S45 G46 I47 V80 F118	S45-S78 PolarHBondContact O-N 2.91Å; G46-S78 CarbonylContact C-O 3.44Å; G46-S78 VanDerWaalsContact CA-O 3.3Å; G46-S78 WeakPolarHBondContact CA-O 3.26Å; I47-S78 PolarHBondContact N-O 3.47Å; S78-V80 PolarHBondContact O-N 3.45Å; S78-F118 WeakPolarHBondContact CA-O 3.34Å; S78-F118 WeakPolarHBondContact OG-CE2 3.3Å; S78-F118 VanDerWaalsContact OG-CZ 3.31Å; S78-F118 WeakPolarHBondContact OG-CZ 3.33Å
79	I	98.2	Very high	94.8	Very high	0 Å²	0	40.2 Å²	40.2	0%	0	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.4	103.2	163.6	-58.2	177.5	0	0	0	106.5	I47 P49 D81 I98 M101 A102 L105 L117 F118 Q120 L340	I47-I79 WeakPolarHBondContact O-CA 3.43Å; P49-I79 HydrophobicContact CB-CG2 3.77Å; P49-I79 HydrophobicContact CG-CG2 3.98Å; I79-D81 PolarHBondContact O-N 3.41Å; I79-D81 VanDerWaalsContact O-N 3.11Å; I79-I98 HydrophobicContact CG2-CG1 4.43Å; I79-I98 HydrophobicContact CG2-CG2 4.33Å; I79-M101 HydrophobicContact CD1-CB 4.29Å; I79-M101 HydrophobicContact CD1-CG 4.19Å; I79-M101 HydrophobicContact CG1-CG 4.18Å; I79-M101 HydrophobicContact CG2-CG 4.41Å; I79-A102 HydrophobicContact CD1-CB 3.69Å; I79-L105 HydrophobicContact CD1-CD1 4.41Å; I79-L105 HydrophobicContact CG1-CD1 4.15Å; I79-L117 HydrophobicContact CD1-CD1 4.47Å; I79-L117 HydrophobicContact CG1-CD1 4.28Å; I79-F118 PolarHBondContact N-O 3.27Å; I79-Q120 WeakPolarHBondContact O-CB 3.28Å; I79-Q120 PolarHBondContact O-N 2.96Å; I79-L340 HydrophobicContact CD1-CD2 4.03Å
80	V	97.8	Very high	94.8	Very high	10 Å²	10	43.2 Å²	43.2	6%	0.061	23%	0.233	C	C	.	.			trans	-88.6	72.3	-168.3	-69.8	0	0	0	0	112.7	I47 Q48 S78 H83 S84 Q120	I47-V80 WeakPolarHBondContact O-CG2 3.42Å; I47-V80 PolarHBondContact O-N 3.49Å; Q48-V80 HydrophobicContact CB-CG2 4.43Å; Q48-V80 HydrophobicContact CG-CG2 3.81Å; S78-V80 PolarHBondContact O-N 3.45Å; V80-H83 HydrophobicContact CB-CB 4.19Å; V80-H83 HydrophobicContact CG2-CB 4.14Å; V80-H83 PolarHBondContact O-N 3.25Å; V80-S84 PolarHBondContact O-N 2.98Å; V80-Q120 VanDerWaalsContact C-OE1 3.29Å; V80-Q120 HydrophobicContact CG1-CB 4.33Å; V80-Q120 HydrophobicContact CG1-CG 4.42Å
81	D	97.8	Very high	94.9	Very high	11 Å²	11	42.4 Å²	42.4	6%	0.059	23%	0.233	C	C	.	.	H	α-helix	trans	-70.6	-28.1	-179	58.5	-16.3	0	0	0	114.1	P49 I79 H83 S84 I85 I98 Q119 S121	P49-D81 HydrophobicContact CG-CB 3.99Å; I79-D81 PolarHBondContact O-N 3.41Å; I79-D81 VanDerWaalsContact O-N 3.11Å; D81-H83 VanDerWaalsContact C-N 3.28Å; D81-H83 PolarHBondContact O-N 2.89Å; D81-S84 WeakPolarHBondContact O-CB 3.48Å; D81-S84 PolarHBondContact O-N 3.34Å; D81-I85 PolarHBondContact O-N 3.05Å; D81-I98 HydrophobicContact CB-CD1 3.86Å; D81-I98 HydrophobicContact CB-CG1 4.24Å; D81-Q119 WeakPolarHBondContact OD2-CG 3.21Å; D81-Q119 PolarHBondContact OD2-NE2 2.88Å; D81-S121 VanDerWaalsContact CG-OG 3.3Å; D81-S121 VanDerWaalsContact OD1-CB 3.32Å; D81-S121 WeakPolarHBondContact OD1-CB 3.43Å; D81-S121 PolarHBondContact OD1-N 3.38Å; D81-S121 PolarHBondContact OD1-OG 3.17Å; D81-S121 VanDerWaalsContact OD2-CB 3.27Å; D81-S121 WeakPolarHBondContact OD2-CB 3.35Å; D81-S121 PolarHBondContact OD2-OG 3.29Å
82	L	98	Very high	95	Very high	48 Å²	48	41.8 Å²	41.8	25%	0.251	23%	0.234	S	C	.	.	H	α-helix	trans	-64	-35.7	171.2	-57.2	177.7	0	0	0	111.5	S84 I85 Q120 L168	L82-S84 VanDerWaalsContact C-N 3.33Å; L82-S84 PolarHBondContact O-N 2.85Å; L82-I85 WeakPolarHBondContact O-CG1 3.31Å; L82-Q120 VanDerWaalsContact CB-OE1 3.27Å; L82-Q120 HydrophobicContact CD1-CG 4.01Å; L82-Q120 HydrophobicContact CG-CG 4.24Å; L82-Q120 VanDerWaalsContact N-OE1 3.16Å; L82-L168 HydrophobicContact CB-CD2 3.94Å
83	H	96.1	Very high	95.1	Very high	9 Å²	9	46.6 Å²	46.6	4%	0.042	26%	0.255	C	S	.	.	H	α-helix	trans	-68.6	-31.4	174.8	-76.3	-93.3	0	0	0	112.6	Q48 V80 D81 I85 T86 Q120 Y165 D172	Q48-H83 HydrophobicContact CG-CB 4.14Å; V80-H83 HydrophobicContact CB-CB 4.19Å; V80-H83 HydrophobicContact CG2-CB 4.14Å; V80-H83 PolarHBondContact O-N 3.25Å; D81-H83 VanDerWaalsContact C-N 3.28Å; D81-H83 PolarHBondContact O-N 2.89Å; H83-I85 VanDerWaalsContact C-N 3.34Å; H83-I85 PolarHBondContact O-N 3.24Å; H83-T86 WeakPolarHBondContact O-CB 3.49Å; H83-T86 VanDerWaalsContact O-CG2 3.29Å; H83-T86 WeakPolarHBondContact O-CG2 3.35Å; H83-T86 PolarHBondContact O-N 2.89Å; H83-T86 PolarHBondContact O-OG1 2.64Å; H83-Q120 PolarHBondContact CD2-NE2 3.36Å; H83-Q120 VanDerWaalsContact CD2-NE2 3.3Å; H83-Q120 PolarHBondContact CD2-OE1 3.04Å; H83-Y165 PolarHBondContact CE1-O 3.1Å; H83-Y165 AromaticContact ND1-CD2 3.88Å; H83-D172 IonicContact CD2-OD2 3.78Å; H83-D172 IonicContact CE1-OD2 3.86Å; H83-D172 IonicContact NE2-OD2 3.5Å; H83-D172 PolarHBondContact NE2-OD2 2.89Å
84	S	94.1	Very high	95.2	Very high	4 Å²	4	43.8 Å²	43.8	3%	0.028	24%	0.236	C	C	.	.	H	α-helix	trans	-64.9	-36	179.5	-79.1	0	0	0	0	113	P49 V80 D81 L82 T86 Q87 Q89	P49-S84 VanDerWaalsContact CD-OG 3.27Å; P49-S84 WeakPolarHBondContact CD-OG 3.45Å; V80-S84 PolarHBondContact O-N 2.98Å; D81-S84 WeakPolarHBondContact O-CB 3.48Å; D81-S84 PolarHBondContact O-N 3.34Å; L82-S84 VanDerWaalsContact C-N 3.33Å; L82-S84 PolarHBondContact O-N 2.85Å; S84-T86 PolarHBondContact O-N 2.98Å; S84-Q87 PolarHBondContact O-N 3.17Å; S84-Q89 PolarHBondContact O-NE2 3.29Å
85	I	94.5	Very high	95.2	Very high	105 Å²	105	49.7 Å²	49.7	54%	0.538	25%	0.254	S	S	.	.	T	Hydrogen-bonded Turn	trans	-78.9	0.7	-178.9	62.6	164.9	0	0	0	114	D81 L82 H83 Q87 Q89 L94	D81-I85 PolarHBondContact O-N 3.05Å; L82-I85 WeakPolarHBondContact O-CG1 3.31Å; H83-I85 VanDerWaalsContact C-N 3.34Å; H83-I85 PolarHBondContact O-N 3.24Å; I85-Q87 CarbonylContact C-O 3.4Å; I85-Q87 WeakPolarHBondContact CA-O 3.26Å; I85-Q87 PolarHBondContact O-N 2.86Å; I85-Q87 VanDerWaalsContact O-N 3.13Å; I85-Q89 HydrophobicContact CG2-CG 4.26Å; I85-L94 HydrophobicContact CG2-CD2 3.78Å
86	T	90.8	Very high	95	Very high	19 Å²	19	54.1 Å²	54.1	12%	0.117	28%	0.277	C	S	.	.	T	Hydrogen-bonded Turn	trans	-60.3	-17.9	165.5	62.1	0	0	0	0	112	H83 S84 S159	H83-T86 WeakPolarHBondContact O-CB 3.49Å; H83-T86 VanDerWaalsContact O-CG2 3.29Å; H83-T86 WeakPolarHBondContact O-CG2 3.35Å; H83-T86 PolarHBondContact O-N 2.89Å; H83-T86 PolarHBondContact O-OG1 2.64Å; S84-T86 PolarHBondContact O-N 2.98Å; T86-S159 PolarHBondContact O-OG 3.44Å
87	Q	86.2	Confident	94.9	Very high	70 Å²	70	55.9 Å²	55.9	33%	0.327	29%	0.287	S	S	.	.	S	Bend	trans	-121	152.1	167.8	-55.9	-171	55.9	0	0	109.9	S84 I85 Q89	S84-Q87 PolarHBondContact O-N 3.17Å; I85-Q87 CarbonylContact C-O 3.4Å; I85-Q87 WeakPolarHBondContact CA-O 3.26Å; I85-Q87 PolarHBondContact O-N 2.86Å; I85-Q87 VanDerWaalsContact O-N 3.13Å; Q87-Q89 WeakPolarHBondContact O-CG 3.45Å; Q87-Q89 PolarHBondContact O-N 2.86Å; Q87-Q89 PolarHBondContact O-NE2 2.93Å
88	P	88.1	Confident	94.8	Very high	124 Å²	124	56.5 Å²	56.5	81%	0.805	29%	0.29	S	S	*	.			trans	-54.3	131.3	176.1	-25.8	34.8	0	0	0	111.8
89	Q	90.1	Very high	94.7	Very high	81 Å²	81	58.3 Å²	58.3	38%	0.379	30%	0.299	S	S	.	.			trans	-122.8	146.5	176.6	-59.7	-57.3	-33.6	0	0	109.5	S84 I85 Q87 L94	S84-Q89 PolarHBondContact O-NE2 3.29Å; I85-Q89 HydrophobicContact CG2-CG 4.26Å; Q87-Q89 WeakPolarHBondContact O-CG 3.45Å; Q87-Q89 PolarHBondContact O-N 2.86Å; Q87-Q89 PolarHBondContact O-NE2 2.93Å; Q89-L94 HydrophobicContact CB-CB 4.35Å; Q89-L94 HydrophobicContact CB-CD2 4.3Å; Q89-L94 HydrophobicContact CG-CD2 4.4Å
90	D	94.8	Very high	94.6	Very high	76 Å²	76	59.5 Å²	59.5	41%	0.406	31%	0.306	S	S	.	.			trans	-75.4	124	162.8	175.9	-84	0	0	0	108.5	D92 K93 L94	D90-D92 VanDerWaalsContact C-N 3.35Å; D90-D92 PolarHBondContact O-N 3.13Å; D90-D92 PolarHBondContact OD1-N 2.96Å; D90-K93 HydrophobicContact CB-CB 4Å; D90-K93 HydrophobicContact CB-CD 3.92Å; D90-K93 HydrophobicContact CB-CG 4.07Å; D90-K93 PolarHBondContact O-N 3.31Å; D90-K93 WeakPolarHBondContact OD1-CG 3.33Å; D90-K93 PolarHBondContact OD1-N 3.38Å; D90-L94 WeakPolarHBondContact O-CB 3.37Å; D90-L94 PolarHBondContact O-N 2.96Å
91	P	96.4	Very high	94.5	Very high	76 Å²	76	59 Å²	59	49%	0.494	30%	0.303	S	S	.	.	H	α-helix	trans	-59.7	-41.1	-173.5	-27.1	35.5	0	0	0	113.9	L94 R95	P91-L94 PolarHBondContact O-N 3.45Å; P91-R95 WeakPolarHBondContact O-CG 3.17Å; P91-R95 PolarHBondContact O-N 2.81Å; P91-R95 VanDerWaalsContact O-N 3.09Å
92	D	95.9	Very high	94.4	Very high	98 Å²	98	58.6 Å²	58.6	52%	0.524	30%	0.3	S	S	.	.	H	α-helix	trans	-71.6	-40.5	-177.4	-64.6	-26.1	0	0	0	110.5	D90 L94 R95 N96	D90-D92 VanDerWaalsContact C-N 3.35Å; D90-D92 PolarHBondContact O-N 3.13Å; D90-D92 PolarHBondContact OD1-N 2.96Å; D92-L94 PolarHBondContact O-N 2.9Å; D92-R95 PolarHBondContact O-N 3.26Å; D92-R95 IonicContact OD1-CZ 3.43Å; D92-R95 IonicContact OD1-NH1 3.5Å; D92-R95 PolarHBondContact OD1-NH1 2.69Å; D92-N96 PolarHBondContact O-N 3.41Å; D92-N96 VanDerWaalsContact O-N 3.09Å; D92-N96 PolarHBondContact O-ND2 2.7Å
93	K	95.3	Very high	94.4	Very high	137 Å²	137	56.3 Å²	56.3	60%	0.596	29%	0.289	S	S	*	.	H	α-helix	trans	-62.9	-40.5	172.1	-69	-179.7	-170.7	174.1	0	112.1	D90 N96 N97	D90-K93 HydrophobicContact CB-CB 4Å; D90-K93 HydrophobicContact CB-CD 3.92Å; D90-K93 HydrophobicContact CB-CG 4.07Å; D90-K93 PolarHBondContact O-N 3.31Å; D90-K93 WeakPolarHBondContact OD1-CG 3.33Å; D90-K93 PolarHBondContact OD1-N 3.38Å; K93-N96 PolarHBondContact O-N 3.3Å; K93-N97 WeakPolarHBondContact O-CB 3.5Å; K93-N97 PolarHBondContact O-N 2.95Å; K93-N97 PolarHBondContact O-ND2 2.98Å; K93-N97 PolarHBondContact O-OD1 3.49Å
94	L	96.3	Very high	94.4	Very high	23 Å²	23	55.9 Å²	55.9	12%	0.12	29%	0.287	C	S	.	.	H	α-helix	trans	-62.9	-46	178.9	-179.8	59.9	0	0	0	111.2	P49 I85 Q89 D90 P91 D92 N96 N97 I98	P49-L94 HydrophobicContact CB-CD1 4.47Å; P49-L94 HydrophobicContact CG-CD1 3.79Å; I85-L94 HydrophobicContact CG2-CD2 3.78Å; Q89-L94 HydrophobicContact CB-CB 4.35Å; Q89-L94 HydrophobicContact CB-CD2 4.3Å; Q89-L94 HydrophobicContact CG-CD2 4.4Å; D90-L94 WeakPolarHBondContact O-CB 3.37Å; D90-L94 PolarHBondContact O-N 2.96Å; P91-L94 PolarHBondContact O-N 3.45Å; D92-L94 PolarHBondContact O-N 2.9Å; L94-N96 PolarHBondContact O-N 3.26Å; L94-N97 PolarHBondContact O-N 3.1Å; L94-I98 HydrophobicContact CD1-CD1 4.31Å; L94-I98 HydrophobicContact CD1-CG1 4.42Å; L94-I98 HydrophobicContact CG-CD1 4.13Å; L94-I98 VanDerWaalsContact O-CG1 3.31Å; L94-I98 WeakPolarHBondContact O-CG1 3.43Å; L94-I98 PolarHBondContact O-N 2.75Å
95	R	95.2	Very high	94.5	Very high	151 Å²	151	55.7 Å²	55.7	57%	0.57	29%	0.285	S	S	*	.	H	α-helix	trans	-57.8	-48.1	176.1	-69.1	-176.9	-156.6	118.9	3.9	111.5	P91 D92 N97 I98 L99	P91-R95 WeakPolarHBondContact O-CG 3.17Å; P91-R95 PolarHBondContact O-N 2.81Å; P91-R95 VanDerWaalsContact O-N 3.09Å; D92-R95 PolarHBondContact O-N 3.26Å; D92-R95 IonicContact OD1-CZ 3.43Å; D92-R95 IonicContact OD1-NH1 3.5Å; D92-R95 PolarHBondContact OD1-NH1 2.69Å; R95-N97 PolarHBondContact O-N 3.24Å; R95-I98 PolarHBondContact O-N 2.86Å; R95-L99 PolarHBondContact O-N 2.95Å
96	N	94.9	Very high	94.7	Very high	94 Å²	94	51.8 Å²	51.8	50%	0.503	27%	0.265	S	S	.	.	H	α-helix	trans	-63.4	-40.8	177.4	-70	-29.3	0	0	0	112.1	D92 K93 L94 I98 L99 D100	D92-N96 PolarHBondContact O-N 3.41Å; D92-N96 VanDerWaalsContact O-N 3.09Å; D92-N96 PolarHBondContact O-ND2 2.7Å; K93-N96 PolarHBondContact O-N 3.3Å; L94-N96 PolarHBondContact O-N 3.26Å; N96-I98 VanDerWaalsContact C-N 3.3Å; N96-I98 PolarHBondContact O-N 2.99Å; N96-L99 PolarHBondContact O-N 3.34Å; N96-D100 WeakPolarHBondContact O-CB 3.35Å; N96-D100 PolarHBondContact O-N 3.21Å
97	N	95.8	Very high	95	Very high	37 Å²	37	51.5 Å²	51.5	20%	0.198	27%	0.265	C	S	.	.	H	α-helix	trans	-65.3	-31.6	179.5	-77.1	-14.2	0	0	0	113.1	P49 G51 K93 L94 R95 M101	P49-N97 HydrophobicContact CB-CB 4.26Å; P49-N97 WeakPolarHBondContact O-CB 3.11Å; G51-N97 WeakPolarHBondContact CA-OD1 3.43Å; G51-N97 VanDerWaalsContact N-CG 3.27Å; G51-N97 PolarHBondContact N-OD1 2.99Å; K93-N97 WeakPolarHBondContact O-CB 3.5Å; K93-N97 PolarHBondContact O-N 2.95Å; K93-N97 PolarHBondContact O-ND2 2.98Å; K93-N97 PolarHBondContact O-OD1 3.49Å; L94-N97 PolarHBondContact O-N 3.1Å; R95-N97 PolarHBondContact O-N 3.24Å; N97-M101 VanDerWaalsContact O-CB 3.23Å; N97-M101 WeakPolarHBondContact O-CB 3.38Å; N97-M101 PolarHBondContact O-N 3.35Å
98	I	96.6	Very high	95.4	Very high	13 Å²	13	48.8 Å²	48.8	7%	0.067	25%	0.254	C	S	.	.	H	α-helix	trans	-65.2	-49.7	174.8	-69.8	160.5	0	0	0	109.6	P49 I79 D81 L94 R95 N96 M101 A102 Q119 L340	P49-I98 HydrophobicContact CB-CB 4.36Å; P49-I98 HydrophobicContact CB-CG1 3.63Å; P49-I98 HydrophobicContact CG-CG1 3.74Å; I79-I98 HydrophobicContact CG2-CG1 4.43Å; I79-I98 HydrophobicContact CG2-CG2 4.33Å; D81-I98 HydrophobicContact CB-CD1 3.86Å; D81-I98 HydrophobicContact CB-CG1 4.24Å; L94-I98 HydrophobicContact CD1-CD1 4.31Å; L94-I98 HydrophobicContact CD1-CG1 4.42Å; L94-I98 HydrophobicContact CG-CD1 4.13Å; L94-I98 VanDerWaalsContact O-CG1 3.31Å; L94-I98 WeakPolarHBondContact O-CG1 3.43Å; L94-I98 PolarHBondContact O-N 2.75Å; R95-I98 PolarHBondContact O-N 2.86Å; N96-I98 VanDerWaalsContact C-N 3.3Å; N96-I98 PolarHBondContact O-N 2.99Å; I98-M101 PolarHBondContact O-N 2.89Å; I98-A102 PolarHBondContact O-N 3.08Å; I98-Q119 HydrophobicContact CG2-CG 4.41Å; I98-L340 HydrophobicContact CG2-CD1 4.36Å
99	L	95.8	Very high	95.8	Very high	38 Å²	38	44.6 Å²	44.6	20%	0.199	23%	0.233	C	C	.	.	H	α-helix	trans	-64.1	-42.7	177.8	-64.4	178.8	0	0	0	111.8	R95 N96 M101 A102 A103 E337 L340	R95-L99 PolarHBondContact O-N 2.95Å; N96-L99 PolarHBondContact O-N 3.34Å; L99-M101 VanDerWaalsContact C-N 3.32Å; L99-M101 PolarHBondContact O-N 3.29Å; L99-A102 PolarHBondContact O-N 3.39Å; L99-A103 WeakPolarHBondContact O-CB 3.25Å; L99-A103 PolarHBondContact O-N 2.94Å; L99-E337 HydrophobicContact CD2-CG 3.93Å; L99-L340 HydrophobicContact CD2-CD1 4.37Å
100	D	95.6	Very high	96.1	Very high	26 Å²	26	41 Å²	41	14%	0.139	22%	0.216	C	C	.	.	H	α-helix	trans	-61.9	-40.1	176.4	-80.9	-8.3	0	0	0	112	V52 N96 S104 K330	V52-D100 HydrophobicContact CG2-CB 4.22Å; N96-D100 WeakPolarHBondContact O-CB 3.35Å; N96-D100 PolarHBondContact O-N 3.21Å; D100-S104 VanDerWaalsContact O-CB 3.24Å; D100-S104 WeakPolarHBondContact O-CB 3.33Å; D100-S104 PolarHBondContact O-N 3.03Å; D100-S104 PolarHBondContact O-OG 3.21Å; D100-K330 WeakPolarHBondContact OD1-CD 3.34Å; D100-K330 WeakPolarHBondContact OD1-CE 3.23Å; D100-K330 IonicContact OD1-NZ 2.69Å; D100-K330 PolarHBondContact OD1-NZ 2.89Å; D100-K330 IonicContact OD2-NZ 3.29Å
101	M	96.2	Very high	96.2	Very high	0 Å²	0	39.8 Å²	39.8	0%	0	21%	0.21	C	C	.	.	H	α-helix	trans	-66	-45	175.6	-175.7	59.5	69.8	0	0	110.9	I47 G51 P53 I79 N97 I98 L99 S104 L105	I47-M101 HydrophobicContact CD1-CE 3.96Å; I47-M101 HydrophobicContact CD1-SD 3.89Å; I47-M101 HydrophobicContact CG1-CE 4.08Å; I47-M101 HydrophobicContact CG1-SD 4.29Å; I47-M101 HydrophobicContact CG2-CG 4.11Å; I47-M101 HydrophobicContact CG2-SD 4.07Å; G51-M101 WeakPolarHBondContact O-CE 3.36Å; P53-M101 HydrophobicContact CG-CE 4.27Å; P53-M101 HydrophobicContact CG-SD 4.01Å; I79-M101 HydrophobicContact CD1-CB 4.29Å; I79-M101 HydrophobicContact CD1-CG 4.19Å; I79-M101 HydrophobicContact CG1-CG 4.18Å; I79-M101 HydrophobicContact CG2-CG 4.41Å; N97-M101 VanDerWaalsContact O-CB 3.23Å; N97-M101 WeakPolarHBondContact O-CB 3.38Å; N97-M101 PolarHBondContact O-N 3.35Å; I98-M101 PolarHBondContact O-N 2.89Å; L99-M101 VanDerWaalsContact C-N 3.32Å; L99-M101 PolarHBondContact O-N 3.29Å; M101-S104 WeakPolarHBondContact O-CB 3.42Å; M101-S104 PolarHBondContact O-N 3.19Å; M101-L105 HydrophobicContact CG-CD1 4.04Å; M101-L105 HydrophobicContact CG-CG 4.37Å; M101-L105 VanDerWaalsContact O-CG 3.28Å; M101-L105 WeakPolarHBondContact O-CG 3.29Å; M101-L105 PolarHBondContact O-N 3.48Å; M101-L105 HydrophobicContact SD-CD1 4.36Å; M101-L105 HydrophobicContact SD-CG 4.19Å
102	A	96.7	Very high	96.1	Very high	1 Å²	1	37.8 Å²	37.8	1%	0.008	20%	0.197	C	C	.	.	H	α-helix	trans	-59.9	-49.9	177.6	0	0	0	0	0	111.7	I79 I98 L99 S104 L105 L106 L340	I79-A102 HydrophobicContact CD1-CB 3.69Å; I98-A102 PolarHBondContact O-N 3.08Å; L99-A102 PolarHBondContact O-N 3.39Å; A102-S104 VanDerWaalsContact C-N 3.29Å; A102-S104 PolarHBondContact O-N 2.85Å; A102-L105 PolarHBondContact O-N 3.42Å; A102-L106 VanDerWaalsContact O-CG 3.31Å; A102-L106 WeakPolarHBondContact O-CG 3.44Å; A102-L106 PolarHBondContact O-N 3.33Å; A102-L340 HydrophobicContact CB-CD1 3.83Å; A102-L340 HydrophobicContact CB-CD2 3.96Å; A102-L340 HydrophobicContact CB-CG 4.05Å
103	A	97.1	Very high	96.1	Very high	0 Å²	0	40.9 Å²	40.9	0%	0	21%	0.208	C	C	.	.	H	α-helix	trans	-57.2	-43.5	175.8	0	0	0	0	0	111.7	L99 A107 L329 K330 L336	L99-A103 WeakPolarHBondContact O-CB 3.25Å; L99-A103 PolarHBondContact O-N 2.94Å; A103-A107 WeakPolarHBondContact O-CB 3.42Å; A103-A107 PolarHBondContact O-N 3.03Å; A103-L329 HydrophobicContact CB-CB 4.16Å; A103-L329 HydrophobicContact CB-CD1 4.49Å; A103-K330 HydrophobicContact CB-CG 4.1Å; A103-L336 HydrophobicContact CB-CD1 3.85Å; A103-L336 HydrophobicContact CB-CD2 4.24Å
104	S	96.7	Very high	96.1	Very high	0 Å²	0	39.5 Å²	39.5	0%	0	20%	0.202	C	C	.	.	H	α-helix	trans	-62.9	-45.1	178.5	-62.6	0	0	0	0	112.6	P53 D100 M101 A102 A107 C108	P53-S104 VanDerWaalsContact CD-CB 3.48Å; P53-S104 VanDerWaalsContact CD-OG 3.25Å; P53-S104 WeakPolarHBondContact CD-OG 3.49Å; D100-S104 VanDerWaalsContact O-CB 3.24Å; D100-S104 WeakPolarHBondContact O-CB 3.33Å; D100-S104 PolarHBondContact O-N 3.03Å; D100-S104 PolarHBondContact O-OG 3.21Å; M101-S104 WeakPolarHBondContact O-CB 3.42Å; M101-S104 PolarHBondContact O-N 3.19Å; A102-S104 VanDerWaalsContact C-N 3.29Å; A102-S104 PolarHBondContact O-N 2.85Å; S104-A107 PolarHBondContact O-N 2.92Å; S104-C108 WeakPolarHBondContact O-CB 3.4Å; S104-C108 PolarHBondContact O-N 3.41Å; S104-C108 PolarHBondContact O-SG 2.88Å
105	L	96.7	Very high	96.1	Very high	1 Å²	1	38.4 Å²	38.4	1%	0.005	20%	0.197	C	C	.	.	H	α-helix	trans	-64	-46.4	179.2	-70	172.7	0	0	0	111.4	I47 L62 W65 I79 M101 A102 C108 G109 I110 L117	I47-L105 HydrophobicContact CG2-CD1 4.08Å; L62-L105 HydrophobicContact CD1-CD2 4.35Å; L62-L105 HydrophobicContact CD2-CD2 3.41Å; L62-L105 VanDerWaalsContact CD2-CD2 3.41Å; L62-L105 HydrophobicContact CG-CD2 4.49Å; W65-L105 HydrophobicContact CE3-CD2 4.12Å; W65-L105 HydrophobicContact CZ3-CD2 4.01Å; I79-L105 HydrophobicContact CD1-CD1 4.41Å; I79-L105 HydrophobicContact CG1-CD1 4.15Å; M101-L105 HydrophobicContact CG-CD1 4.04Å; M101-L105 HydrophobicContact CG-CG 4.37Å; M101-L105 VanDerWaalsContact O-CG 3.28Å; M101-L105 WeakPolarHBondContact O-CG 3.29Å; M101-L105 PolarHBondContact O-N 3.48Å; M101-L105 HydrophobicContact SD-CD1 4.36Å; M101-L105 HydrophobicContact SD-CG 4.19Å; A102-L105 PolarHBondContact O-N 3.42Å; L105-C108 PolarHBondContact O-N 2.74Å; L105-G109 PolarHBondContact O-N 3.02Å; L105-I110 HydrophobicContact CB-CG1 4.27Å; L105-I110 WeakPolarHBondContact O-CB 3.45Å; L105-I110 VanDerWaalsContact O-CG1 3.26Å; L105-I110 WeakPolarHBondContact O-CG1 3.3Å; L105-I110 PolarHBondContact O-N 3.26Å; L105-L117 HydrophobicContact CB-CD2 4.23Å; L105-L117 HydrophobicContact CD1-CD1 3.61Å
106	L	97	Very high	96.3	Very high	22 Å²	22	31.9 Å²	31.9	12%	0.115	17%	0.173	C	C	.	.	H	α-helix	trans	-59.6	-49.6	176.2	-68.2	168.9	0	0	0	111.1	A102 C108 G109 P112 L117 L329 L336 L339	A102-L106 VanDerWaalsContact O-CG 3.31Å; A102-L106 WeakPolarHBondContact O-CG 3.44Å; A102-L106 PolarHBondContact O-N 3.33Å; L106-C108 VanDerWaalsContact C-N 3.27Å; L106-C108 PolarHBondContact O-N 3.46Å; L106-G109 WeakPolarHBondContact O-CA 3.3Å; L106-G109 PolarHBondContact O-N 2.99Å; L106-P112 HydrophobicContact CD2-CG 3.42Å; L106-P112 VanDerWaalsContact CD2-CG 3.42Å; L106-L117 HydrophobicContact CD2-CD2 3.92Å; L106-L117 HydrophobicContact CG-CD2 3.95Å; L106-L329 HydrophobicContact CB-CD1 3.72Å; L106-L329 HydrophobicContact CD1-CD1 4.28Å; L106-L336 HydrophobicContact CD1-CD2 3.54Å; L106-L339 HydrophobicContact CD1-CD1 3.73Å
107	A	96.8	Very high	96.5	Very high	14 Å²	14	27.8 Å²	27.8	12%	0.116	15%	0.151	C	C	.	.	H	α-helix	trans	-64.8	-27.6	179.7	0	0	0	0	0	114.1	A103 S104 G109 I322 E325 I326 L329	A103-A107 WeakPolarHBondContact O-CB 3.42Å; A103-A107 PolarHBondContact O-N 3.03Å; S104-A107 PolarHBondContact O-N 2.92Å; A107-G109 PolarHBondContact O-N 3.1Å; A107-I322 HydrophobicContact CB-CG2 4.08Å; A107-E325 HydrophobicContact CB-CB 3.83Å; A107-E325 HydrophobicContact CB-CG 3.68Å; A107-I326 HydrophobicContact CB-CB 4.45Å; A107-I326 HydrophobicContact CB-CD1 4.29Å; A107-I326 HydrophobicContact CB-CG1 3.41Å; A107-I326 VanDerWaalsContact CB-CG1 3.41Å; A107-L329 HydrophobicContact CB-CD1 4.43Å
108	C	95.6	Very high	96.6	Very high	13 Å²	13	26 Å²	26	9%	0.088	14%	0.141	C	C	.	.	H	α-helix	trans	-70.8	-16.1	172.9	-72.1	0	0	0	0	112.6	Y58 V66 S104 L105 L106	Y58-C108 HydrophobicContact CD2-CB 4.39Å; Y58-C108 VanDerWaalsContact CD2-SG 3.56Å; Y58-C108 HydrophobicContact CE2-CB 4.03Å; V66-C108 WeakPolarHBondContact CG2-O 3.31Å; S104-C108 WeakPolarHBondContact O-CB 3.4Å; S104-C108 PolarHBondContact O-N 3.41Å; S104-C108 PolarHBondContact O-SG 2.88Å; L105-C108 PolarHBondContact O-N 2.74Å; L106-C108 VanDerWaalsContact C-N 3.27Å; L106-C108 PolarHBondContact O-N 3.46Å
109	G	95.7	Very high	96.7	Very high	35 Å²	35	27 Å²	27	36%	0.361	15%	0.146	S	C	.	.	T	Hydrogen-bonded Turn	trans	117.8	11.1	174.7	0	0	0	0	0	114.8	Q69 L105 L106 A107 N111	Q69-G109 PolarHBondContact NE2-O 3.07Å; L105-G109 PolarHBondContact O-N 3.02Å; L106-G109 WeakPolarHBondContact O-CA 3.3Å; L106-G109 PolarHBondContact O-N 2.99Å; A107-G109 PolarHBondContact O-N 3.1Å; G109-N111 PolarHBondContact O-N 3.42Å
110	I	97.1	Very high	96.8	Very high	6 Å²	6	25.2 Å²	25.2	3%	0.031	14%	0.136	C	C	.	.			trans	-67.4	120.1	171.7	-59.2	-63.8	0	0	0	108.1	W65 V66 Y77 L105 P112 A115 L117	W65-I110 HydrophobicContact CB-CD1 3.89Å; V66-I110 HydrophobicContact CG2-CD1 3.81Å; V66-I110 HydrophobicContact CG2-CG1 4.28Å; Y77-I110 HydrophobicContact CD2-CD1 3.92Å; Y77-I110 HydrophobicContact CD2-CG2 3.98Å; Y77-I110 HydrophobicContact CE2-CD1 3.63Å; Y77-I110 HydrophobicContact CE2-CG2 4.47Å; L105-I110 HydrophobicContact CB-CG1 4.27Å; L105-I110 WeakPolarHBondContact O-CB 3.45Å; L105-I110 VanDerWaalsContact O-CG1 3.26Å; L105-I110 WeakPolarHBondContact O-CG1 3.3Å; L105-I110 PolarHBondContact O-N 3.26Å; I110-P112 WeakPolarHBondContact O-CD 3.26Å; I110-A115 HydrophobicContact CG2-CB 4.41Å; I110-L117 HydrophobicContact CG2-CB 4.47Å
111	N	96.5	Very high	97	Very high	51 Å²	51	26 Å²	26	27%	0.273	14%	0.144	S	C	.	.			trans	-99.4	115.6	-178.6	-177.6	-18.1	0	0	0	109.6	G109 E113 K114 A115	G109-N111 PolarHBondContact O-N 3.42Å; N111-E113 PolarHBondContact O-N 3.46Å; N111-E113 VanDerWaalsContact O-N 3.11Å; N111-E113 VanDerWaalsContact OD1-CB 3.31Å; N111-E113 WeakPolarHBondContact OD1-CB 3.41Å; N111-E113 PolarHBondContact OD1-N 3.38Å; N111-K114 HydrophobicContact CB-CB 4.32Å; N111-K114 HydrophobicContact CB-CD 4.45Å; N111-K114 HydrophobicContact CB-CG 4.21Å; N111-K114 PolarHBondContact O-N 3.44Å; N111-A115 PolarHBondContact O-N 3.3Å
112	P	95.1	Very high	97.1	Very high	34 Å²	34	30.7 Å²	30.7	22%	0.221	17%	0.166	C	C	.	.	T	Hydrogen-bonded Turn	trans	-57.9	-22.2	177.8	-26.8	36.8	0	0	0	114.9	L106 I110 A115 L339 R346	L106-P112 HydrophobicContact CD2-CG 3.42Å; L106-P112 VanDerWaalsContact CD2-CG 3.42Å; I110-P112 WeakPolarHBondContact O-CD 3.26Å; P112-A115 CarbonylContact C-O 3.46Å; P112-A115 WeakPolarHBondContact CA-O 3.34Å; P112-A115 VanDerWaalsContact O-O 3.05Å; P112-L339 HydrophobicContact CG-CD2 4.38Å; P112-R346 PolarHBondContact O-NH1 3.3Å
113	E	94.8	Very high	97.2	Very high	163 Å²	163	30.7 Å²	30.7	76%	0.762	17%	0.166	S	C	*	.	T	Hydrogen-bonded Turn	trans	-74.3	-32.5	175.7	-59.3	-177	150.8	0	0	111.6	N111	N111-E113 PolarHBondContact O-N 3.46Å; N111-E113 VanDerWaalsContact O-N 3.11Å; N111-E113 VanDerWaalsContact OD1-CB 3.31Å; N111-E113 WeakPolarHBondContact OD1-CB 3.41Å; N111-E113 PolarHBondContact OD1-N 3.38Å
114	K	95.8	Very high	97.2	Very high	107 Å²	107	34.3 Å²	34.3	47%	0.465	19%	0.191	S	C	.	.	T	Hydrogen-bonded Turn	trans	-93.5	-34.3	-178.4	-60	-169.3	-178.1	-166	0	113.4	Q69 N70 N111	Q69-K114 HydrophobicContact CB-CB 4.44Å; N70-K114 PolarHBondContact OD1-NZ 3.18Å; N111-K114 HydrophobicContact CB-CB 4.32Å; N111-K114 HydrophobicContact CB-CD 4.45Å; N111-K114 HydrophobicContact CB-CG 4.21Å; N111-K114 PolarHBondContact O-N 3.44Å
115	A	97.6	Very high	97.3	Very high	1 Å²	1	35 Å²	35	1%	0.008	19%	0.194	C	C	.	.	S	Bend	trans	-126.6	145.8	-178.4	0	0	0	0	0	111.1	Q69 V75 Y77 I110 N111 P112 L117	Q69-A115 HydrophobicContact CB-CB 4.1Å; V75-A115 HydrophobicContact CB-CB 4.16Å; V75-A115 HydrophobicContact CG1-CB 4.22Å; V75-A115 WeakPolarHBondContact O-CA 3.44Å; Y77-A115 HydrophobicContact CD2-CB 3.98Å; Y77-A115 HydrophobicContact CE2-CB 4.01Å; I110-A115 HydrophobicContact CG2-CB 4.41Å; N111-A115 PolarHBondContact O-N 3.3Å; P112-A115 CarbonylContact C-O 3.46Å; P112-A115 WeakPolarHBondContact CA-O 3.34Å; P112-A115 VanDerWaalsContact O-O 3.05Å; A115-L117 PolarHBondContact O-N 3.37Å
116	I	98.4	Very high	97.4	Very high	13 Å²	13	35 Å²	35	7%	0.067	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.3	101.2	173.6	-58.5	176.1	0	0	0	107.7	V75 L76 Y77 F118 G343 R346 A347 L350	V75-I116 PolarHBondContact O-N 3.31Å; L76-I116 WeakPolarHBondContact CA-O 3.34Å; L76-I116 HydrophobicContact CD2-CB 4.45Å; L76-I116 HydrophobicContact CD2-CD1 4.21Å; L76-I116 HydrophobicContact CG-CB 4.18Å; L76-I116 HydrophobicContact CG-CD1 4.28Å; Y77-I116 PolarHBondContact N-O 3.08Å; I116-F118 HydrophobicContact CG2-CB 4.46Å; I116-F118 HydrophobicContact CG2-CD1 4.04Å; I116-G343 WeakPolarHBondContact CG2-O 3.05Å; I116-R346 HydrophobicContact CD1-CB 4.15Å; I116-R346 HydrophobicContact CG1-CB 4.33Å; I116-R346 HydrophobicContact CG2-CB 4.27Å; I116-A347 HydrophobicContact CG2-CB 4.04Å; I116-L350 HydrophobicContact CD1-CD1 3.67Å
117	L	98.4	Very high	97.5	Very high	8 Å²	8	36.5 Å²	36.5	4%	0.042	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.1	118.2	170	175.2	62.4	0	0	0	109.5	Y77 I79 L105 L106 I110 A115 L340 G343	Y77-L117 WeakPolarHBondContact O-CA 3.44Å; I79-L117 HydrophobicContact CD1-CD1 4.47Å; I79-L117 HydrophobicContact CG1-CD1 4.28Å; L105-L117 HydrophobicContact CB-CD2 4.23Å; L105-L117 HydrophobicContact CD1-CD1 3.61Å; L106-L117 HydrophobicContact CD2-CD2 3.92Å; L106-L117 HydrophobicContact CG-CD2 3.95Å; I110-L117 HydrophobicContact CG2-CB 4.47Å; A115-L117 PolarHBondContact O-N 3.37Å; L117-L340 HydrophobicContact CG-CD2 4.39Å; L117-G343 WeakPolarHBondContact O-CA 3.14Å
118	F	98.6	Very high	97.6	Very high	0 Å²	0	39.1 Å²	39.1	0%	0	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-144.4	162.8	-174.4	75.2	-77.6	0	0	0	113.4	F44 L76 Y77 S78 I79 I116 V123 H126 Y176 A347	F44-F118 HydrophobicContact CE2-CE1 4.04Å; F44-F118 AromaticContact CE2-CZ 3.91Å; F44-F118 HydrophobicContact CE2-CZ 3.91Å; F44-F118 HydrophobicContact CZ-CZ 4.46Å; L76-F118 HydrophobicContact CB-CE1 4.45Å; L76-F118 HydrophobicContact CD2-CE1 4.49Å; Y77-F118 WeakPolarHBondContact O-CD1 3.44Å; Y77-F118 PolarHBondContact O-N 2.97Å; S78-F118 WeakPolarHBondContact CA-O 3.34Å; S78-F118 WeakPolarHBondContact OG-CE2 3.3Å; S78-F118 VanDerWaalsContact OG-CZ 3.31Å; S78-F118 WeakPolarHBondContact OG-CZ 3.33Å; I79-F118 PolarHBondContact N-O 3.27Å; I116-F118 HydrophobicContact CG2-CB 4.46Å; I116-F118 HydrophobicContact CG2-CD1 4.04Å; F118-V123 HydrophobicContact CD2-CG2 3.8Å; F118-V123 HydrophobicContact CE2-CB 4.46Å; F118-V123 HydrophobicContact CE2-CG2 3.97Å; F118-H126 AromaticContact CE2-NE2 3.51Å; F118-H126 AromaticContact CZ-NE2 3.69Å; F118-Y176 AromaticContact CZ-CE2 3.99Å; F118-Y176 HydrophobicContact CZ-CE2 3.99Å; F118-Y176 AromaticContact CZ-CZ 3.89Å; F118-Y176 WeakPolarHBondContact CZ-OH 3.31Å; F118-A347 HydrophobicContact CB-CB 4.22Å; F118-A347 HydrophobicContact CD1-CB 3.98Å; F118-A347 HydrophobicContact CD2-CB 3.76Å; F118-A347 HydrophobicContact CE1-CB 4.25Å; F118-A347 HydrophobicContact CE2-CB 4.05Å; F118-A347 HydrophobicContact CG-CB 3.72Å; F118-A347 HydrophobicContact CZ-CB 4.28Å
119	Q	98.4	Very high	97.7	Very high	35 Å²	35	38.5 Å²	38.5	16%	0.164	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.7	128.1	173	-178.3	-178	-3	0	0	110.2	D81 I98 S121 Q122 S344	D81-Q119 WeakPolarHBondContact OD2-CG 3.21Å; D81-Q119 PolarHBondContact OD2-NE2 2.88Å; I98-Q119 HydrophobicContact CG2-CG 4.41Å; Q119-S121 PolarHBondContact NE2-OG 3.26Å; Q119-Q122 HydrophobicContact CB-CB 4.44Å; Q119-Q122 HydrophobicContact CB-CG 3.94Å; Q119-Q122 HydrophobicContact CG-CG 4.04Å; Q119-Q122 WeakPolarHBondContact O-CB 3.49Å; Q119-Q122 PolarHBondContact O-N 2.69Å; Q119-S344 PolarHBondContact N-OG 3.43Å
120	Q	98.8	Very high	97.8	Very high	0 Å²	0	37.6 Å²	37.6	0%	0	20%	0.204	C	C	.	.	G	3₁₀ helix	trans	-59.9	-49.5	-173.5	-175.6	-167.4	22	0	0	112.6	I79 V80 L82 H83 Q122 V123 H126 D172	I79-Q120 WeakPolarHBondContact O-CB 3.28Å; I79-Q120 PolarHBondContact O-N 2.96Å; V80-Q120 VanDerWaalsContact C-OE1 3.29Å; V80-Q120 HydrophobicContact CG1-CB 4.33Å; V80-Q120 HydrophobicContact CG1-CG 4.42Å; L82-Q120 VanDerWaalsContact CB-OE1 3.27Å; L82-Q120 HydrophobicContact CD1-CG 4.01Å; L82-Q120 HydrophobicContact CG-CG 4.24Å; L82-Q120 VanDerWaalsContact N-OE1 3.16Å; H83-Q120 PolarHBondContact CD2-NE2 3.36Å; H83-Q120 VanDerWaalsContact CD2-NE2 3.3Å; H83-Q120 PolarHBondContact CD2-OE1 3.04Å; Q120-Q122 PolarHBondContact O-N 3.11Å; Q120-Q122 VanDerWaalsContact O-N 3.07Å; Q120-V123 PolarHBondContact O-N 3.3Å; Q120-H126 HydrophobicContact CG-CB 4.47Å; Q120-D172 VanDerWaalsContact NE2-CG 3.31Å; Q120-D172 PolarHBondContact NE2-OD1 2.93Å; Q120-D172 PolarHBondContact NE2-OD2 3.12Å; Q120-D172 VanDerWaalsContact NE2-OD2 3.16Å
121	S	98.4	Very high	97.9	Very high	43 Å²	43	46.6 Å²	46.6	30%	0.301	24%	0.237	S	C	.	.	G	3₁₀ helix	trans	-61.7	-18.3	-178.5	64.2	0	0	0	0	114.6	D81 Q119 V123	D81-S121 VanDerWaalsContact CG-OG 3.3Å; D81-S121 VanDerWaalsContact OD1-CB 3.32Å; D81-S121 WeakPolarHBondContact OD1-CB 3.43Å; D81-S121 PolarHBondContact OD1-N 3.38Å; D81-S121 PolarHBondContact OD1-OG 3.17Å; D81-S121 VanDerWaalsContact OD2-CB 3.27Å; D81-S121 WeakPolarHBondContact OD2-CB 3.35Å; D81-S121 PolarHBondContact OD2-OG 3.29Å; Q119-S121 PolarHBondContact NE2-OG 3.26Å; S121-V123 PolarHBondContact O-N 2.89Å
122	Q	98.4	Very high	98	Very high	98 Å²	98	44.7 Å²	44.7	46%	0.458	23%	0.227	S	C	.	.	G	3₁₀ helix	trans	-79.8	-3.7	177	-63.3	-63.5	105.2	0	0	112.8	Q119 Q120 S344 R348	Q119-Q122 HydrophobicContact CB-CB 4.44Å; Q119-Q122 HydrophobicContact CB-CG 3.94Å; Q119-Q122 HydrophobicContact CG-CG 4.04Å; Q119-Q122 WeakPolarHBondContact O-CB 3.49Å; Q119-Q122 PolarHBondContact O-N 2.69Å; Q120-Q122 PolarHBondContact O-N 3.11Å; Q120-Q122 VanDerWaalsContact O-N 3.07Å; Q122-S344 WeakPolarHBondContact CB-OG 3.37Å; Q122-R348 PolarHBondContact O-NH2 3.19Å
123	V	98.7	Very high	98.1	Very high	1 Å²	1	43 Å²	43	1%	0.006	22%	0.216	C	C	.	.			trans	-121.9	93	177.4	-175.6	0	0	0	0	107.2	F118 Q120 S121 E125 H126 A347 A351	F118-V123 HydrophobicContact CD2-CG2 3.8Å; F118-V123 HydrophobicContact CE2-CB 4.46Å; F118-V123 HydrophobicContact CE2-CG2 3.97Å; Q120-V123 PolarHBondContact O-N 3.3Å; S121-V123 PolarHBondContact O-N 2.89Å; V123-E125 HydrophobicContact CG1-CB 4.31Å; V123-E125 WeakPolarHBondContact CG1-OE2 3.39Å; V123-E125 PolarHBondContact O-N 3.28Å; V123-E125 VanDerWaalsContact O-N 3.13Å; V123-H126 PolarHBondContact O-CD2 3.5Å; V123-H126 VanDerWaalsContact O-CD2 3.3Å; V123-H126 PolarHBondContact O-N 3.05Å; V123-A347 HydrophobicContact CG2-CB 3.96Å; V123-A351 HydrophobicContact CG1-CB 3.85Å
124	S	98.4	Very high	98.3	Very high	76 Å²	76	37 Å²	37	53%	0.531	20%	0.197	S	C	.	.	T	Hydrogen-bonded Turn	trans	-60.4	-24.7	-172.4	44.2	0	0	0	0	113.4	H126 A127 E128	S124-H126 PolarHBondContact O-N 3.31Å; S124-H126 VanDerWaalsContact O-N 3.14Å; S124-A127 PolarHBondContact O-N 2.69Å; S124-E128 PolarHBondContact O-N 2.97Å
125	E	98.7	Very high	98.3	Very high	15 Å²	15	36.4 Å²	36.4	7%	0.07	21%	0.206	C	C	.	.	H	α-helix	trans	-57.8	-28	-179.8	-63.9	84	170.4	0	0	112.6	V123 F129 L175 R348 A351 L355	V123-E125 HydrophobicContact CG1-CB 4.31Å; V123-E125 WeakPolarHBondContact CG1-OE2 3.39Å; V123-E125 PolarHBondContact O-N 3.28Å; V123-E125 VanDerWaalsContact O-N 3.13Å; E125-F129 WeakPolarHBondContact O-CB 3.35Å; E125-F129 PolarHBondContact O-N 3.2Å; E125-L175 HydrophobicContact CB-CD1 4.1Å; E125-L175 HydrophobicContact CB-CD2 3.78Å; E125-R348 WeakPolarHBondContact OE1-CG 3.45Å; E125-A351 HydrophobicContact CB-CB 3.99Å; E125-A351 HydrophobicContact CG-CB 4.12Å; E125-L355 HydrophobicContact CB-CB 4.32Å; E125-L355 HydrophobicContact CB-CD2 3.81Å; E125-L355 HydrophobicContact CG-CB 4.06Å; E125-L355 HydrophobicContact CG-CD2 3.58Å; E125-L355 HydrophobicContact CG-CG 4.49Å
126	H	98.8	Very high	98.2	Very high	0 Å²	0	37.9 Å²	37.9	0%	0	21%	0.213	C	C	.	.	H	α-helix	trans	-59.8	-45.8	173.3	-75.8	-100.9	0	0	0	112.4	F118 Q120 V123 S124 C130 D172 Y176	F118-H126 AromaticContact CE2-NE2 3.51Å; F118-H126 AromaticContact CZ-NE2 3.69Å; Q120-H126 HydrophobicContact CG-CB 4.47Å; V123-H126 PolarHBondContact O-CD2 3.5Å; V123-H126 VanDerWaalsContact O-CD2 3.3Å; V123-H126 PolarHBondContact O-N 3.05Å; S124-H126 PolarHBondContact O-N 3.31Å; S124-H126 VanDerWaalsContact O-N 3.14Å; H126-C130 WeakPolarHBondContact O-CB 3.26Å; H126-C130 PolarHBondContact O-N 2.96Å; H126-D172 IonicContact CE1-OD1 2.73Å; H126-D172 IonicContact CG-OD1 3.45Å; H126-D172 IonicContact ND1-OD1 2.74Å; H126-D172 PolarHBondContact ND1-OD1 3.1Å; H126-Y176 AromaticContact CE1-CE2 3.59Å; H126-Y176 AromaticContact NE2-CE2 3.52Å; H126-Y176 AromaticContact NE2-CZ 3.55Å; H126-Y176 PolarHBondContact NE2-OH 2.95Å
127	A	98.4	Very high	98	Very high	54 Å²	54	38.2 Å²	38.2	45%	0.446	22%	0.216	S	C	.	.	H	α-helix	trans	-73.8	-41.9	-177.9	0	0	0	0	0	111.6	S124 C130 W131	S124-A127 PolarHBondContact O-N 2.69Å; A127-C130 WeakPolarHBondContact O-CB 3.44Å; A127-C130 PolarHBondContact O-N 2.82Å; A127-W131 PolarHBondContact O-N 3.32Å; A127-W131 VanDerWaalsContact O-N 3.11Å
128	E	98.4	Very high	97.7	Very high	69 Å²	69	40.9 Å²	40.9	32%	0.322	24%	0.235	S	C	.	.	H	α-helix	trans	-64.4	-43.9	177.4	-170.3	171.2	153.3	0	0	111.1	S124 C130 W131 I132 L355 R359	S124-E128 PolarHBondContact O-N 2.97Å; E128-C130 PolarHBondContact O-N 2.86Å; E128-W131 WeakPolarHBondContact O-CB 3.36Å; E128-W131 PolarHBondContact O-N 2.97Å; E128-I132 PolarHBondContact O-N 3.03Å; E128-L355 HydrophobicContact CB-CD1 4.45Å; E128-L355 HydrophobicContact CB-CD2 4.01Å; E128-L355 HydrophobicContact CG-CD1 4.27Å; E128-L355 HydrophobicContact CG-CD2 4.09Å; E128-R359 WeakPolarHBondContact OE1-CD 3.41Å; E128-R359 IonicContact OE1-CZ 2.77Å; E128-R359 IonicContact OE1-NE 3.84Å; E128-R359 IonicContact OE1-NH1 3.94Å; E128-R359 PolarHBondContact OE1-NH1 3.29Å
129	F	98.5	Very high	97.2	Very high	0 Å²	0	47.2 Å²	47.2	0%	0	27%	0.266	C	S	.	.	H	α-helix	trans	-69.8	-34.9	177.9	-169.5	-146.8	0	0	0	112.6	E125 W131 I132 L133 A171 L174 L175 F209 L355 V358	E125-F129 WeakPolarHBondContact O-CB 3.35Å; E125-F129 PolarHBondContact O-N 3.2Å; F129-W131 PolarHBondContact O-N 3.38Å; F129-I132 HydrophobicContact CD2-CB 4.32Å; F129-I132 PolarHBondContact O-N 3.45Å; F129-L133 HydrophobicContact CD1-CD1 4.29Å; F129-L133 HydrophobicContact CD2-CG 4.1Å; F129-L133 HydrophobicContact CE1-CD1 3.99Å; F129-L133 HydrophobicContact CE1-CG 4.4Å; F129-L133 HydrophobicContact CE2-CD1 4.26Å; F129-L133 HydrophobicContact CE2-CD2 3.78Å; F129-L133 HydrophobicContact CE2-CG 3.77Å; F129-L133 HydrophobicContact CZ-CD1 3.94Å; F129-L133 HydrophobicContact CZ-CD2 3.85Å; F129-L133 HydrophobicContact CZ-CG 3.93Å; F129-L133 WeakPolarHBondContact O-CG 3.2Å; F129-L133 PolarHBondContact O-N 3.24Å; F129-A171 HydrophobicContact CB-CB 4.25Å; F129-A171 HydrophobicContact CD1-CB 3.92Å; F129-A171 HydrophobicContact CG-CB 4.31Å; F129-L174 HydrophobicContact CE1-CB 3.76Å; F129-L174 HydrophobicContact CZ-CB 4.32Å; F129-L175 HydrophobicContact CB-CD1 4.48Å; F129-L175 HydrophobicContact CD1-CB 4.06Å; F129-L175 HydrophobicContact CD1-CD1 4.19Å; F129-F209 HydrophobicContact CE1-CE1 4.24Å; F129-F209 HydrophobicContact CE1-CE2 4.47Å; F129-F209 AromaticContact CE1-CZ 3.87Å; F129-F209 HydrophobicContact CE1-CZ 3.87Å; F129-F209 HydrophobicContact CE2-CE2 4.22Å; F129-F209 HydrophobicContact CE2-CZ 4.07Å; F129-F209 HydrophobicContact CZ-CE1 4.08Å; F129-F209 AromaticContact CZ-CE2 3.56Å; F129-F209 HydrophobicContact CZ-CE2 3.56Å; F129-F209 AromaticContact CZ-CZ 3.3Å; F129-F209 HydrophobicContact CZ-CZ 3.3Å; F129-L355 HydrophobicContact CB-CD1 4.12Å; F129-V358 HydrophobicContact CD2-CG1 3.91Å; F129-V358 HydrophobicContact CD2-CG2 4.37Å; F129-V358 HydrophobicContact CE2-CG1 3.82Å; F129-V358 HydrophobicContact CE2-CG2 3.93Å; F129-V358 HydrophobicContact CZ-CG2 4.33Å
130	C	98.5	Very high	96.8	Very high	16 Å²	16	49.1 Å²	49.1	11%	0.108	28%	0.282	C	S	.	.	H	α-helix	trans	-56.8	-39.4	170.8	178.4	0	0	0	0	112	H126 A127 E128 G134 L168 A171	H126-C130 WeakPolarHBondContact O-CB 3.26Å; H126-C130 PolarHBondContact O-N 2.96Å; A127-C130 WeakPolarHBondContact O-CB 3.44Å; A127-C130 PolarHBondContact O-N 2.82Å; E128-C130 PolarHBondContact O-N 2.86Å; C130-G134 PolarHBondContact O-N 3.19Å; C130-L168 HydrophobicContact CB-CB 4.38Å; C130-L168 HydrophobicContact CB-CD1 3.69Å; C130-L168 VanDerWaalsContact SG-CA 3.52Å; C130-L168 PolarHBondContact SG-N 2.86Å; C130-A171 HydrophobicContact CB-CB 4Å
131	W	98.4	Very high	96.2	Very high	195 Å²	195	52.8 Å²	52.8	74%	0.739	30%	0.296	S	S	*	.	H	α-helix	trans	-63.1	-47.8	176.8	178.7	-100.8	0	0	0	111.5	A127 E128 F129 L133 G134 C135	A127-W131 PolarHBondContact O-N 3.32Å; A127-W131 VanDerWaalsContact O-N 3.11Å; E128-W131 WeakPolarHBondContact O-CB 3.36Å; E128-W131 PolarHBondContact O-N 2.97Å; F129-W131 PolarHBondContact O-N 3.38Å; W131-L133 PolarHBondContact O-N 2.93Å; W131-G134 WeakPolarHBondContact O-CA 3.33Å; W131-G134 PolarHBondContact O-N 3.02Å; W131-G134 VanDerWaalsContact O-N 3.09Å; W131-C135 PolarHBondContact O-N 3.42Å
132	I	98.4	Very high	95.8	Very high	10 Å²	10	51.1 Å²	51.1	5%	0.051	28%	0.283	C	S	.	.	H	α-helix	trans	-60.1	-47.4	178.5	-65.8	165.5	0	0	0	111	E128 F129 G134 C135 L355 V358 V362 F364	E128-I132 PolarHBondContact O-N 3.03Å; F129-I132 HydrophobicContact CD2-CB 4.32Å; F129-I132 PolarHBondContact O-N 3.45Å; I132-G134 VanDerWaalsContact C-N 3.26Å; I132-G134 PolarHBondContact O-N 3.29Å; I132-C135 WeakPolarHBondContact O-CB 3.46Å; I132-C135 PolarHBondContact O-N 3.3Å; I132-L355 HydrophobicContact CD1-CD1 4.26Å; I132-V358 HydrophobicContact CD1-CG1 3.84Å; I132-V358 HydrophobicContact CG2-CG1 4.13Å; I132-V362 HydrophobicContact CG2-CG1 4Å; I132-F364 HydrophobicContact CD1-CE2 4.02Å; I132-F364 HydrophobicContact CG1-CE2 4.11Å
133	L	98.2	Very high	95.1	Very high	0 Å²	0	54.4 Å²	54.4	0%	0	29%	0.291	C	S	.	.	H	α-helix	trans	-65.2	-30.5	175.8	-67.5	-176.9	0	0	0	112.5	F129 W131 C135 L136 T137 V167 A170 A171 L174 L197 F201	F129-L133 HydrophobicContact CD1-CD1 4.29Å; F129-L133 HydrophobicContact CD2-CG 4.1Å; F129-L133 HydrophobicContact CE1-CD1 3.99Å; F129-L133 HydrophobicContact CE1-CG 4.4Å; F129-L133 HydrophobicContact CE2-CD1 4.26Å; F129-L133 HydrophobicContact CE2-CD2 3.78Å; F129-L133 HydrophobicContact CE2-CG 3.77Å; F129-L133 HydrophobicContact CZ-CD1 3.94Å; F129-L133 HydrophobicContact CZ-CD2 3.85Å; F129-L133 HydrophobicContact CZ-CG 3.93Å; F129-L133 WeakPolarHBondContact O-CG 3.2Å; F129-L133 PolarHBondContact O-N 3.24Å; W131-L133 PolarHBondContact O-N 2.93Å; L133-C135 VanDerWaalsContact C-N 3.28Å; L133-C135 PolarHBondContact O-N 3.49Å; L133-L136 HydrophobicContact CD2-CD1 4.36Å; L133-L136 PolarHBondContact O-N 3.43Å; L133-T137 PolarHBondContact O-N 3.04Å; L133-T137 PolarHBondContact O-OG1 3.08Å; L133-V167 HydrophobicContact CB-CG1 3.66Å; L133-A170 HydrophobicContact CD1-CB 4.16Å; L133-A171 HydrophobicContact CD1-CB 3.99Å; L133-L174 HydrophobicContact CD1-CD1 4.31Å; L133-L197 HydrophobicContact CB-CD1 4.5Å; L133-L197 HydrophobicContact CD2-CB 4.49Å; L133-F201 HydrophobicContact CD2-CD2 4.48Å
134	G	97.5	Very high	94.4	Very high	35 Å²	35	60.2 Å²	60.2	36%	0.361	32%	0.318	S	S	.	.	H	α-helix	trans	-58.8	-39.5	173	0	0	0	0	0	112.1	C130 W131 I132 L136 T137	C130-G134 PolarHBondContact O-N 3.19Å; W131-G134 WeakPolarHBondContact O-CA 3.33Å; W131-G134 PolarHBondContact O-N 3.02Å; W131-G134 VanDerWaalsContact O-N 3.09Å; I132-G134 VanDerWaalsContact C-N 3.26Å; I132-G134 PolarHBondContact O-N 3.29Å; G134-L136 PolarHBondContact O-N 3.27Å; G134-T137 PolarHBondContact O-N 2.92Å; G134-T137 VanDerWaalsContact O-N 3.13Å
135	C	97.2	Very high	93.8	Very high	95 Å²	95	57.5 Å²	57.5	64%	0.642	30%	0.298	S	S	*	.	H	α-helix	trans	-66	-19.5	174.9	-60.5	0	0	0	0	113.6	W131 I132 L133	W131-C135 PolarHBondContact O-N 3.42Å; I132-C135 WeakPolarHBondContact O-CB 3.46Å; I132-C135 PolarHBondContact O-N 3.3Å; L133-C135 VanDerWaalsContact C-N 3.28Å; L133-C135 PolarHBondContact O-N 3.49Å
136	L	95.6	Very high	92.8	Very high	33 Å²	33	59.1 Å²	59.1	17%	0.173	31%	0.309	C	S	.	.	T	Hydrogen-bonded Turn	trans	-96	-3.9	176.4	-57.2	178.5	0	0	0	113	L133 G134 L197 I200 F201 Y205	L133-L136 HydrophobicContact CD2-CD1 4.36Å; L133-L136 PolarHBondContact O-N 3.43Å; G134-L136 PolarHBondContact O-N 3.27Å; L136-L197 HydrophobicContact CB-CD2 4.21Å; L136-I200 HydrophobicContact CB-CG2 4.2Å; L136-I200 HydrophobicContact CD1-CG2 4.47Å; L136-F201 HydrophobicContact CD1-CB 4.23Å; L136-F201 HydrophobicContact CD1-CD2 3.83Å; L136-Y205 HydrophobicContact CD1-CE2 4.24Å; L136-Y205 HydrophobicContact CD2-CE2 4.17Å
137	T	94.1	Very high	91.7	Very high	20 Å²	20	60.3 Å²	60.3	12%	0.123	32%	0.315	C	S	.	.			trans	-107.4	126.9	-174.7	-53.5	0	0	0	0	111.1	L133 G134 L142 V167 L197	L133-T137 PolarHBondContact O-N 3.04Å; L133-T137 PolarHBondContact O-OG1 3.08Å; G134-T137 PolarHBondContact O-N 2.92Å; G134-T137 VanDerWaalsContact O-N 3.13Å; T137-L142 HydrophobicContact CG2-CD1 4.05Å; T137-L142 HydrophobicContact CG2-CD2 3.9Å; T137-L142 HydrophobicContact CG2-CG 3.75Å; T137-V167 HydrophobicContact CG2-CG2 4.02Å; T137-L197 VanDerWaalsContact OG1-CD2 3.3Å; T137-L197 WeakPolarHBondContact OG1-CD2 3.32Å
138	S	90.8	Very high	90.7	Very high	63 Å²	63	60 Å²	60	44%	0.441	30%	0.302	S	S	.	.			trans	-83.3	147.3	176.4	75.2	0	0	0	0	112.8	R141 L142	S138-R141 WeakPolarHBondContact O-CB 3.42Å; S138-R141 PolarHBondContact O-N 3.17Å; S138-R141 WeakPolarHBondContact OG-CB 3.38Å; S138-L142 PolarHBondContact O-N 3.28Å
139	M	89.2	Confident	89.5	Confident	133 Å²	133	61.5 Å²	61.5	66%	0.655	31%	0.308	S	S	*	.	H	α-helix	trans	-56.5	-45.9	175.7	-64.5	-75.7	-170.9	0	0	113.1	R141 L142 R143 Y163	M139-R141 VanDerWaalsContact C-N 3.25Å; M139-R141 PolarHBondContact O-N 2.92Å; M139-L142 PolarHBondContact O-N 3.09Å; M139-R143 PolarHBondContact O-N 3.41Å; M139-Y163 VanDerWaalsContact C-OH 3.32Å; M139-Y163 WeakPolarHBondContact CA-OH 3.4Å; M139-Y163 PolarHBondContact O-OH 2.74Å; M139-Y163 HydrophobicContact SD-CE1 3.52Å; M139-Y163 VanDerWaalsContact SD-CE1 3.52Å
140	P	89.1	Confident	88.1	Confident	75 Å²	75	68 Å²	68	49%	0.487	34%	0.34	S	S	.	.	H	α-helix	trans	-56.6	-41.2	178.8	-26.1	36.4	0	0	0	112.5	L142 R143 H144	P140-L142 VanDerWaalsContact C-N 3.35Å; P140-L142 PolarHBondContact O-N 3.15Å; P140-R143 PolarHBondContact O-N 3.41Å; P140-R143 VanDerWaalsContact O-N 3.1Å; P140-H144 PolarHBondContact O-CD2 3.02Å; P140-H144 PolarHBondContact O-N 2.83Å; P140-H144 VanDerWaalsContact O-N 3.09Å
141	R	87.4	Confident	86.7	Confident	78 Å²	78	70.4 Å²	70.4	29%	0.294	35%	0.349	S	S	.	.	H	α-helix	trans	-57.5	-45.5	179.9	-173.7	173.1	171.9	106.4	35.6	112	S138 M139 L193 D196	S138-R141 WeakPolarHBondContact O-CB 3.42Å; S138-R141 PolarHBondContact O-N 3.17Å; S138-R141 WeakPolarHBondContact OG-CB 3.38Å; M139-R141 VanDerWaalsContact C-N 3.25Å; M139-R141 PolarHBondContact O-N 2.92Å; R141-L193 HydrophobicContact CG-CD1 4.3Å; R141-D196 VanDerWaalsContact CZ-CB 3.47Å; R141-D196 IonicContact CZ-OD2 3.12Å; R141-D196 IonicContact NH1-OD2 2.75Å; R141-D196 PolarHBondContact NH1-OD2 2.78Å; R141-D196 IonicContact NH2-OD1 3.9Å; R141-D196 IonicContact NH2-OD2 2.64Å; R141-D196 PolarHBondContact NH2-OD2 2.94Å
142	L	88.4	Confident	85.1	Confident	8 Å²	8	62.4 Å²	62.4	4%	0.042	32%	0.322	C	S	.	.	H	α-helix	trans	-68.2	-37.7	175.5	-65.5	177.6	0	0	0	112.7	T137 S138 M139 P140 H144 L145 Y163 I164 P166 V167 L193	T137-L142 HydrophobicContact CG2-CD1 4.05Å; T137-L142 HydrophobicContact CG2-CD2 3.9Å; T137-L142 HydrophobicContact CG2-CG 3.75Å; S138-L142 PolarHBondContact O-N 3.28Å; M139-L142 PolarHBondContact O-N 3.09Å; P140-L142 VanDerWaalsContact C-N 3.35Å; P140-L142 PolarHBondContact O-N 3.15Å; L142-H144 VanDerWaalsContact C-N 3.26Å; L142-H144 PolarHBondContact O-N 2.98Å; L142-L145 HydrophobicContact CD2-CD1 4.19Å; L142-L145 WeakPolarHBondContact O-CB 3.08Å; L142-L145 PolarHBondContact O-N 3.13Å; L142-Y163 HydrophobicContact CB-CD2 4.44Å; L142-Y163 HydrophobicContact CB-CE1 3.91Å; L142-Y163 HydrophobicContact CB-CE2 3.81Å; L142-Y163 HydrophobicContact CD1-CD1 4.08Å; L142-Y163 HydrophobicContact CD1-CE1 3.72Å; L142-Y163 HydrophobicContact CG-CE1 4.48Å; L142-I164 HydrophobicContact CD1-CG2 4.41Å; L142-P166 HydrophobicContact CD2-CB 4.49Å; L142-V167 HydrophobicContact CD1-CG2 4.21Å; L142-V167 HydrophobicContact CD2-CG2 3.91Å; L142-L193 HydrophobicContact CD2-CD2 4.01Å
143	R	84.8	Confident	83.3	Confident	166 Å²	166	70.5 Å²	70.5	63%	0.626	36%	0.357	S	S	*	.	H	α-helix	trans	-65.4	-27.8	-179.8	179.9	176.5	-96.9	173.5	-6.3	112.9	M139 P140 L145 Y163	M139-R143 PolarHBondContact O-N 3.41Å; P140-R143 PolarHBondContact O-N 3.41Å; P140-R143 VanDerWaalsContact O-N 3.1Å; R143-L145 VanDerWaalsContact C-N 3.34Å; R143-Y163 HydrophobicContact CB-CE2 4.31Å
144	H	84.1	Confident	81.5	Confident	124 Å²	124	78.3 Å²	78.3	57%	0.574	39%	0.394	S	S	*	.	H	α-helix	trans	-78.5	-16.3	-179.6	-73.2	-65.2	0	0	0	114.2	P140 L142	P140-H144 PolarHBondContact O-CD2 3.02Å; P140-H144 PolarHBondContact O-N 2.83Å; P140-H144 VanDerWaalsContact O-N 3.09Å; L142-H144 VanDerWaalsContact C-N 3.26Å; L142-H144 PolarHBondContact O-N 2.98Å
145	L	84.8	Confident	79.6	Confident	18 Å²	18	81.3 Å²	81.3	9%	0.094	40%	0.397	C	S	.	.			trans	-60.7	127.5	178.4	-67.4	173.4	0	0	0	111.2	L142 R143 Q147 W148 K149 P166 Q189 L193	L142-L145 HydrophobicContact CD2-CD1 4.19Å; L142-L145 WeakPolarHBondContact O-CB 3.08Å; L142-L145 PolarHBondContact O-N 3.13Å; R143-L145 VanDerWaalsContact C-N 3.34Å; L145-Q147 PolarHBondContact O-N 3.45Å; L145-W148 PolarHBondContact O-N 3.26Å; L145-K149 PolarHBondContact O-N 3.09Å; L145-P166 HydrophobicContact CD1-CB 3.81Å; L145-P166 HydrophobicContact CD1-CG 3.67Å; L145-Q189 HydrophobicContact CD2-CB 4.29Å; L145-L193 HydrophobicContact CD1-CD2 4.33Å
146	P	77.6	Confident	77.5	Confident	49 Å²	49	84.3 Å²	84.3	32%	0.318	41%	0.406	S	S	.	.	H	α-helix	trans	-56.9	-37.1	-177.3	-26.5	33	0	0	0	113.1	W148 K149 M150	P146-W148 VanDerWaalsContact C-N 3.32Å; P146-W148 PolarHBondContact O-N 3.46Å; P146-K149 WeakPolarHBondContact O-CB 3.37Å; P146-K149 PolarHBondContact O-N 2.88Å; P146-K149 VanDerWaalsContact O-N 3.13Å; P146-M150 WeakPolarHBondContact O-CG 3.48Å; P146-M150 PolarHBondContact O-N 3.05Å
147	Q	75.6	Confident	76	Confident	25 Å²	25	91.6 Å²	91.6	12%	0.117	44%	0.439	C	S	.	.	H	α-helix	trans	-63.8	-38.5	-177.8	-58.4	-163.2	18.5	0	0	112	L145 M150 K151 Y165 D186 Q187 H190	L145-Q147 PolarHBondContact O-N 3.45Å; Q147-M150 PolarHBondContact O-N 3.05Å; Q147-K151 WeakPolarHBondContact O-CB 3.49Å; Q147-K151 WeakPolarHBondContact O-CG 3.46Å; Q147-K151 PolarHBondContact O-N 3.45Å; Q147-Y165 WeakPolarHBondContact CB-OH 3.49Å; Q147-Y165 PolarHBondContact OE1-OH 2.71Å; Q147-D186 PolarHBondContact NE2-O 3.26Å; Q147-Q187 VanDerWaalsContact NE2-NE2 3.1Å; Q147-H190 VanDerWaalsContact CD-NE2 3.32Å; Q147-H190 PolarHBondContact NE2-CE1 3.39Å; Q147-H190 PolarHBondContact OE1-CE1 3.38Å
148	W	78.8	Confident	75	Confident	48 Å²	48	91.5 Å²	91.5	18%	0.182	44%	0.442	C	S	.	.	H	α-helix	trans	-63.2	-47.1	171.8	173.2	-108.6	0	0	0	111.2	L145 P146 M150 K151 S152 L162 Y163	L145-W148 PolarHBondContact O-N 3.26Å; P146-W148 VanDerWaalsContact C-N 3.32Å; P146-W148 PolarHBondContact O-N 3.46Å; W148-M150 VanDerWaalsContact C-N 3.28Å; W148-M150 PolarHBondContact O-N 2.82Å; W148-K151 PolarHBondContact O-N 3.25Å; W148-S152 WeakPolarHBondContact O-CB 3.19Å; W148-S152 PolarHBondContact O-N 2.84Å; W148-S152 PolarHBondContact O-OG 3.48Å; W148-L162 HydrophobicContact CE3-CG 4.38Å; W148-L162 HydrophobicContact CZ3-CB 4.36Å; W148-L162 HydrophobicContact CZ3-CD2 4.43Å; W148-L162 HydrophobicContact CZ3-CG 4.25Å; W148-Y163 AromaticContact CD2-CD2 3.61Å; W148-Y163 HydrophobicContact CD2-CD2 3.61Å; W148-Y163 HydrophobicContact CD2-CE2 4.35Å; W148-Y163 AromaticContact CE2-CD2 3.62Å; W148-Y163 AromaticContact CE3-CD2 3.85Å; W148-Y163 HydrophobicContact CE3-CD2 3.85Å; W148-Y163 HydrophobicContact CE3-CG 4.43Å; W148-Y163 HydrophobicContact CG-CD2 4.1Å; W148-Y163 HydrophobicContact CG-CE2 4.49Å; W148-Y163 HydrophobicContact CH2-CD2 4.09Å; W148-Y163 HydrophobicContact CH2-CG 4.44Å; W148-Y163 AromaticContact CZ2-CD2 3.88Å; W148-Y163 HydrophobicContact CZ2-CD2 3.88Å; W148-Y163 HydrophobicContact CZ3-CD2 4.08Å; W148-Y163 HydrophobicContact CZ3-CG 4.35Å
149	K	71.6	Confident	74.7	Confident	100 Å²	100	91.1 Å²	91.1	44%	0.435	44%	0.44	S	S	.	.	H	α-helix	trans	-60.6	-36.3	178.9	-68.9	178.9	178.5	170.6	0	112.8	L145 P146 K153	L145-K149 PolarHBondContact O-N 3.09Å; P146-K149 WeakPolarHBondContact O-CB 3.37Å; P146-K149 PolarHBondContact O-N 2.88Å; P146-K149 VanDerWaalsContact O-N 3.13Å; K149-K153 VanDerWaalsContact O-CG 3.31Å; K149-K153 WeakPolarHBondContact O-CG 3.24Å
150	M	69.1	Low	74.8	Confident	136 Å²	136	90 Å²	90	67%	0.67	44%	0.44	S	S	*	.	H	α-helix	trans	-75.5	-48	179	-70	179.6	72.7	0	0	111.9	P146 Q147 W148	P146-M150 WeakPolarHBondContact O-CG 3.48Å; P146-M150 PolarHBondContact O-N 3.05Å; Q147-M150 PolarHBondContact O-N 3.05Å; W148-M150 VanDerWaalsContact C-N 3.28Å; W148-M150 PolarHBondContact O-N 2.82Å
151	K	69.6	Low	74.9	Confident	68 Å²	68	87.8 Å²	87.8	30%	0.296	43%	0.431	S	S	.	.	H	α-helix	trans	-78.2	-31.2	-174.2	-66.2	179.1	-179.2	168.9	0	113.5	Q147 W148 Q154 L162	Q147-K151 WeakPolarHBondContact O-CB 3.49Å; Q147-K151 WeakPolarHBondContact O-CG 3.46Å; Q147-K151 PolarHBondContact O-N 3.45Å; W148-K151 PolarHBondContact O-N 3.25Å; K151-Q154 PolarHBondContact O-N 3.31Å; K151-L162 HydrophobicContact CB-CD2 4.06Å; K151-L162 HydrophobicContact CD-CD1 3.86Å
152	S	65.9	Low	75	Confident	27 Å²	27	84.4 Å²	84.4	19%	0.189	42%	0.419	C	S	.	.	H	α-helix	trans	-70.7	-36.1	178.8	60.8	0	0	0	0	112.6	W148 Q154 K155	W148-S152 WeakPolarHBondContact O-CB 3.19Å; W148-S152 PolarHBondContact O-N 2.84Å; W148-S152 PolarHBondContact O-OG 3.48Å; S152-Q154 PolarHBondContact O-N 2.96Å; S152-K155 PolarHBondContact O-N 3.11Å
153	K	60.8	Low	75.1	Confident	180 Å²	180	85.5 Å²	85.5	78%	0.783	42%	0.423	S	S	*	.	H	α-helix	trans	-61.4	-27.5	175.2	-78	-176.3	-180	-171.6	0	113.8	K149	K149-K153 VanDerWaalsContact O-CG 3.31Å; K149-K153 WeakPolarHBondContact O-CG 3.24Å
154	Q	60.1	Low	75.5	Confident	164 Å²	164	80.9 Å²	80.9	77%	0.766	41%	0.41	S	S	*	.	T	Hydrogen-bonded Turn	trans	-83.1	-16.2	179.9	-72.4	-178.6	-16.7	0	0	113.7	K151 S152	K151-Q154 PolarHBondContact O-N 3.31Å; S152-Q154 PolarHBondContact O-N 2.96Å
155	K	57.2	Low	76.1	Confident	97 Å²	97	75.7 Å²	75.7	42%	0.422	39%	0.385	S	S	.	.	T	Hydrogen-bonded Turn	trans	-123.6	10.9	-164.9	-68.7	-158.3	-179.9	-173.1	0	116.8	S152 E157	S152-K155 PolarHBondContact O-N 3.11Å; K155-E157 VanDerWaalsContact C-N 3.25Å; K155-E157 PolarHBondContact O-N 3.18Å
156	N	54.2	Low	76.6	Confident	159 Å²	159	75 Å²	75	85%	0.85	38%	0.382	S	S	*	.	T	Hydrogen-bonded Turn	trans	48.2	45.5	177	-98	10.2	0	0	0	113.6
157	E	63.8	Low	77.6	Confident	185 Å²	185	72.9 Å²	72.9	86%	0.864	37%	0.368	S	S	*	.	S	Bend	trans	104	101.5	-174.3	-60	174.7	-176.8	0	0	113.5	K155	K155-E157 VanDerWaalsContact C-N 3.25Å; K155-E157 PolarHBondContact O-N 3.18Å
158	G	72.3	Confident	78.7	Confident	18 Å²	18	72.6 Å²	72.6	19%	0.186	37%	0.367	C	S	.	.			trans	-72.8	155.1	174.7	0	0	0	0	0	112.3
159	S	84.4	Confident	79.6	Confident	56 Å²	56	71.6 Å²	71.6	39%	0.392	36%	0.364	S	S	.	.			trans	-62.8	155.1	176.9	67.6	0	0	0	0	112	T86 G161 L162 Y163	T86-S159 PolarHBondContact O-OG 3.44Å; S159-G161 PolarHBondContact O-N 2.97Å; S159-L162 WeakPolarHBondContact O-CB 3.31Å; S159-L162 PolarHBondContact O-N 3.43Å; S159-L162 WeakPolarHBondContact OG-CB 3.48Å; S159-L162 PolarHBondContact OG-N 3.36Å; S159-Y163 PolarHBondContact O-N 2.73Å; S159-Y163 VanDerWaalsContact O-N 3.14Å
160	V	90.6	Very high	80.9	Confident	109 Å²	109	66.8 Å²	66.8	66%	0.661	34%	0.344	S	S	*	.	H	α-helix	trans	-56.3	-39.7	171.1	177.2	0	0	0	0	110.4	L162 Y163 I164	V160-L162 VanDerWaalsContact C-N 3.32Å; V160-L162 PolarHBondContact O-N 3.32Å; V160-Y163 WeakPolarHBondContact O-CA 3.43Å; V160-Y163 WeakPolarHBondContact O-CB 3.23Å; V160-Y163 PolarHBondContact O-N 2.98Å; V160-I164 HydrophobicContact CG1-CD1 4.44Å; V160-I164 HydrophobicContact CG1-CG2 4.18Å; V160-I164 WeakPolarHBondContact O-CG1 3.47Å; V160-I164 PolarHBondContact O-N 3.39Å
161	G	91.7	Very high	82.3	Confident	29 Å²	29	60.3 Å²	60.3	30%	0.299	31%	0.312	S	S	.	.	H	α-helix	trans	-55.9	-44.5	173.8	0	0	0	0	0	112.8	S159 Y163 I164 Y165	S159-G161 PolarHBondContact O-N 2.97Å; G161-Y163 PolarHBondContact O-N 3.4Å; G161-I164 PolarHBondContact O-N 2.98Å; G161-Y165 WeakPolarHBondContact O-CB 3.4Å; G161-Y165 PolarHBondContact O-N 2.87Å
162	L	89.5	Confident	83.6	Confident	6 Å²	6	57.3 Å²	57.3	3%	0.031	30%	0.299	C	S	.	.	H	α-helix	trans	-66.2	-23.5	175.9	-175.7	63.5	0	0	0	113	W148 K151 S159 V160 Y165	W148-L162 HydrophobicContact CE3-CG 4.38Å; W148-L162 HydrophobicContact CZ3-CB 4.36Å; W148-L162 HydrophobicContact CZ3-CD2 4.43Å; W148-L162 HydrophobicContact CZ3-CG 4.25Å; K151-L162 HydrophobicContact CB-CD2 4.06Å; K151-L162 HydrophobicContact CD-CD1 3.86Å; S159-L162 WeakPolarHBondContact O-CB 3.31Å; S159-L162 PolarHBondContact O-N 3.43Å; S159-L162 WeakPolarHBondContact OG-CB 3.48Å; S159-L162 PolarHBondContact OG-N 3.36Å; V160-L162 VanDerWaalsContact C-N 3.32Å; V160-L162 PolarHBondContact O-N 3.32Å; L162-Y165 HydrophobicContact CD1-CD1 4.13Å; L162-Y165 HydrophobicContact CD1-CE1 3.92Å; L162-Y165 WeakPolarHBondContact O-CD1 3.06Å; L162-Y165 WeakPolarHBondContact O-CE1 3.02Å
163	Y	90.6	Very high	85.2	Confident	32 Å²	32	56.1 Å²	56.1	13%	0.125	29%	0.29	C	S	.	.	H	α-helix	trans	-81.6	-38.3	175.7	-177.5	-108.5	0	0	0	112.4	M139 L142 R143 W148 S159 V160 G161	M139-Y163 VanDerWaalsContact C-OH 3.32Å; M139-Y163 WeakPolarHBondContact CA-OH 3.4Å; M139-Y163 PolarHBondContact O-OH 2.74Å; M139-Y163 HydrophobicContact SD-CE1 3.52Å; M139-Y163 VanDerWaalsContact SD-CE1 3.52Å; L142-Y163 HydrophobicContact CB-CD2 4.44Å; L142-Y163 HydrophobicContact CB-CE1 3.91Å; L142-Y163 HydrophobicContact CB-CE2 3.81Å; L142-Y163 HydrophobicContact CD1-CD1 4.08Å; L142-Y163 HydrophobicContact CD1-CE1 3.72Å; L142-Y163 HydrophobicContact CG-CE1 4.48Å; R143-Y163 HydrophobicContact CB-CE2 4.31Å; W148-Y163 AromaticContact CD2-CD2 3.61Å; W148-Y163 HydrophobicContact CD2-CD2 3.61Å; W148-Y163 HydrophobicContact CD2-CE2 4.35Å; W148-Y163 AromaticContact CE2-CD2 3.62Å; W148-Y163 AromaticContact CE3-CD2 3.85Å; W148-Y163 HydrophobicContact CE3-CD2 3.85Å; W148-Y163 HydrophobicContact CE3-CG 4.43Å; W148-Y163 HydrophobicContact CG-CD2 4.1Å; W148-Y163 HydrophobicContact CG-CE2 4.49Å; W148-Y163 HydrophobicContact CH2-CD2 4.09Å; W148-Y163 HydrophobicContact CH2-CG 4.44Å; W148-Y163 AromaticContact CZ2-CD2 3.88Å; W148-Y163 HydrophobicContact CZ2-CD2 3.88Å; W148-Y163 HydrophobicContact CZ3-CD2 4.08Å; W148-Y163 HydrophobicContact CZ3-CG 4.35Å; S159-Y163 PolarHBondContact O-N 2.73Å; S159-Y163 VanDerWaalsContact O-N 3.14Å; V160-Y163 WeakPolarHBondContact O-CA 3.43Å; V160-Y163 WeakPolarHBondContact O-CB 3.23Å; V160-Y163 PolarHBondContact O-N 2.98Å; G161-Y163 PolarHBondContact O-N 3.4Å
164	I	94.2	Very high	87	Confident	68 Å²	68	47.5 Å²	47.5	35%	0.349	25%	0.253	S	S	.	.	H	α-helix	trans	-97.7	-9.1	-173.6	71.8	173.5	0	0	0	114.8	L142 V160 G161 P166 V167 L168	L142-I164 HydrophobicContact CD1-CG2 4.41Å; V160-I164 HydrophobicContact CG1-CD1 4.44Å; V160-I164 HydrophobicContact CG1-CG2 4.18Å; V160-I164 WeakPolarHBondContact O-CG1 3.47Å; V160-I164 PolarHBondContact O-N 3.39Å; G161-I164 PolarHBondContact O-N 2.98Å; I164-P166 WeakPolarHBondContact O-CD 3.31Å; I164-V167 WeakPolarHBondContact O-CA 3.46Å; I164-V167 VanDerWaalsContact O-CB 3.3Å; I164-V167 WeakPolarHBondContact O-CB 3.38Å; I164-V167 PolarHBondContact O-N 3.08Å; I164-L168 PolarHBondContact O-N 2.83Å
165	Y	95.1	Very high	88.8	Confident	16 Å²	16	39.7 Å²	39.7	6%	0.063	22%	0.216	C	C	.	.	H	α-helix	trans	-54.3	-27.9	-178	81.7	-92.8	0	0	0	115.2	H83 Q147 G161 L162 V167 L168 Q169 H190	H83-Y165 PolarHBondContact CE1-O 3.1Å; H83-Y165 AromaticContact ND1-CD2 3.88Å; Q147-Y165 WeakPolarHBondContact CB-OH 3.49Å; Q147-Y165 PolarHBondContact OE1-OH 2.71Å; G161-Y165 WeakPolarHBondContact O-CB 3.4Å; G161-Y165 PolarHBondContact O-N 2.87Å; L162-Y165 HydrophobicContact CD1-CD1 4.13Å; L162-Y165 HydrophobicContact CD1-CE1 3.92Å; L162-Y165 WeakPolarHBondContact O-CD1 3.06Å; L162-Y165 WeakPolarHBondContact O-CE1 3.02Å; Y165-V167 PolarHBondContact O-N 2.9Å; Y165-L168 WeakPolarHBondContact O-CB 3.4Å; Y165-L168 PolarHBondContact O-N 2.88Å; Y165-L168 VanDerWaalsContact O-N 3.15Å; Y165-Q169 PolarHBondContact O-N 3.17Å; Y165-H190 AromaticContact CE2-CE1 3.39Å; Y165-H190 WeakPolarHBondContact CE2-CE1 3.35Å; Y165-H190 AromaticContact CZ-CE1 3.63Å; Y165-H190 AromaticContact CZ-NE2 3.97Å; Y165-H190 PolarHBondContact OH-CE1 2.94Å; Y165-H190 PolarHBondContact OH-NE2 2.89Å
166	P	96.1	Very high	90.7	Very high	4 Å²	4	35.1 Å²	35.1	3%	0.026	20%	0.196	C	C	.	.	H	α-helix	trans	-63.2	-27.9	173.8	-25.4	38.6	0	0	0	112.9	L142 L145 I164 A170 L193	L142-P166 HydrophobicContact CD2-CB 4.49Å; L145-P166 HydrophobicContact CD1-CB 3.81Å; L145-P166 HydrophobicContact CD1-CG 3.67Å; I164-P166 WeakPolarHBondContact O-CD 3.31Å; P166-A170 PolarHBondContact O-N 2.92Å; P166-L193 HydrophobicContact CB-CD2 3.46Å; P166-L193 VanDerWaalsContact CB-CD2 3.46Å
167	V	98	Very high	92.8	Very high	3 Å²	3	30.8 Å²	30.8	2%	0.018	17%	0.17	C	C	.	.	H	α-helix	trans	-72.3	-41.6	172.7	-174.2	0	0	0	0	110.6	L133 T137 L142 I164 Y165 Q169 A170 A171	L133-V167 HydrophobicContact CB-CG1 3.66Å; T137-V167 HydrophobicContact CG2-CG2 4.02Å; L142-V167 HydrophobicContact CD1-CG2 4.21Å; L142-V167 HydrophobicContact CD2-CG2 3.91Å; I164-V167 WeakPolarHBondContact O-CA 3.46Å; I164-V167 VanDerWaalsContact O-CB 3.3Å; I164-V167 WeakPolarHBondContact O-CB 3.38Å; I164-V167 PolarHBondContact O-N 3.08Å; Y165-V167 PolarHBondContact O-N 2.9Å; V167-Q169 VanDerWaalsContact C-N 3.29Å; V167-Q169 PolarHBondContact O-N 3.43Å; V167-A170 WeakPolarHBondContact O-CB 3.45Å; V167-A170 PolarHBondContact O-N 3.44Å; V167-A170 VanDerWaalsContact O-N 3.16Å; V167-A171 PolarHBondContact O-N 2.83Å
168	L	98.5	Very high	94.4	Very high	19 Å²	19	22 Å²	22	10%	0.099	13%	0.129	C	C	.	.	H	α-helix	trans	-60.8	-41.3	172.9	-178.2	61.4	0	0	0	110.9	L82 C130 I164 Y165 A170 A171 D172	L82-L168 HydrophobicContact CB-CD2 3.94Å; C130-L168 HydrophobicContact CB-CB 4.38Å; C130-L168 HydrophobicContact CB-CD1 3.69Å; C130-L168 VanDerWaalsContact SG-CA 3.52Å; C130-L168 PolarHBondContact SG-N 2.86Å; I164-L168 PolarHBondContact O-N 2.83Å; Y165-L168 WeakPolarHBondContact O-CB 3.4Å; Y165-L168 PolarHBondContact O-N 2.88Å; Y165-L168 VanDerWaalsContact O-N 3.15Å; L168-A170 VanDerWaalsContact C-N 3.32Å; L168-A170 PolarHBondContact O-N 2.96Å; L168-A171 WeakPolarHBondContact O-CB 3.38Å; L168-A171 PolarHBondContact O-N 2.92Å; L168-A171 VanDerWaalsContact O-N 3.17Å; L168-D172 PolarHBondContact O-N 3.37Å
169	Q	98.3	Very high	95.6	Very high	27 Å²	27	22 Å²	22	13%	0.126	13%	0.125	C	C	.	.	H	α-helix	trans	-61.3	-39.6	174.6	-174.5	175.7	-10.5	0	0	112	Y165 V167 D172 I173 H190	Y165-Q169 PolarHBondContact O-N 3.17Å; V167-Q169 VanDerWaalsContact C-N 3.29Å; V167-Q169 PolarHBondContact O-N 3.43Å; Q169-D172 WeakPolarHBondContact O-CB 3.3Å; Q169-D172 PolarHBondContact O-N 2.99Å; Q169-I173 HydrophobicContact CG-CD1 4.2Å; Q169-I173 WeakPolarHBondContact O-CD1 3.36Å; Q169-I173 VanDerWaalsContact O-CG1 3.3Å; Q169-I173 WeakPolarHBondContact O-CG1 3.47Å; Q169-I173 PolarHBondContact O-N 3.25Å; Q169-H190 PolarHBondContact OE1-ND1 3.33Å; Q169-H190 VanDerWaalsContact OE1-ND1 3.07Å
170	A	98.3	Very high	96.1	Very high	0 Å²	0	20.9 Å²	20.9	0%	0	11%	0.114	C	C	.	.	H	α-helix	trans	-64.2	-43.2	173.5	0	0	0	0	0	111.5	L133 P166 V167 L168 D172 I173 L174 A194 L197	L133-A170 HydrophobicContact CD1-CB 4.16Å; P166-A170 PolarHBondContact O-N 2.92Å; V167-A170 WeakPolarHBondContact O-CB 3.45Å; V167-A170 PolarHBondContact O-N 3.44Å; V167-A170 VanDerWaalsContact O-N 3.16Å; L168-A170 VanDerWaalsContact C-N 3.32Å; L168-A170 PolarHBondContact O-N 2.96Å; A170-D172 VanDerWaalsContact C-N 3.34Å; A170-D172 PolarHBondContact O-N 2.85Å; A170-I173 PolarHBondContact O-N 3.43Å; A170-L174 WeakPolarHBondContact O-CB 3.41Å; A170-L174 VanDerWaalsContact O-CG 3.28Å; A170-L174 WeakPolarHBondContact O-CG 3.42Å; A170-L174 PolarHBondContact O-N 2.66Å; A170-A194 HydrophobicContact CB-CB 3.78Å; A170-L197 HydrophobicContact CB-CD1 3.66Å
171	A	98.6	Very high	96.3	Very high	0 Å²	0	15.9 Å²	15.9	0%	0	8%	0.083	C	C	.	.	H	α-helix	trans	-58.8	-45.7	174.6	0	0	0	0	0	111.3	F129 C130 L133 V167 L168 I173 L174 L175	F129-A171 HydrophobicContact CB-CB 4.25Å; F129-A171 HydrophobicContact CD1-CB 3.92Å; F129-A171 HydrophobicContact CG-CB 4.31Å; C130-A171 HydrophobicContact CB-CB 4Å; L133-A171 HydrophobicContact CD1-CB 3.99Å; V167-A171 PolarHBondContact O-N 2.83Å; L168-A171 WeakPolarHBondContact O-CB 3.38Å; L168-A171 PolarHBondContact O-N 2.92Å; L168-A171 VanDerWaalsContact O-N 3.17Å; A171-I173 PolarHBondContact O-N 3.49Å; A171-L174 PolarHBondContact O-N 3.3Å; A171-L175 WeakPolarHBondContact O-CB 3.43Å; A171-L175 PolarHBondContact O-N 3.49Å
172	D	98.6	Very high	96.4	Very high	4 Å²	4	15 Å²	15	2%	0.021	7%	0.072	C	C	.	.	H	α-helix	trans	-55	-39.7	177.8	-59.6	-32.3	0	0	0	112.5	F44 H83 Q120 H126 L168 Q169 A170 Y176	F44-D172 HydrophobicContact CE1-CB 3.69Å; F44-D172 WeakPolarHBondContact CE2-O 3.46Å; F44-D172 HydrophobicContact CZ-CB 3.74Å; F44-D172 WeakPolarHBondContact CZ-O 3.49Å; H83-D172 IonicContact CD2-OD2 3.78Å; H83-D172 IonicContact CE1-OD2 3.86Å; H83-D172 IonicContact NE2-OD2 3.5Å; H83-D172 PolarHBondContact NE2-OD2 2.89Å; Q120-D172 VanDerWaalsContact NE2-CG 3.31Å; Q120-D172 PolarHBondContact NE2-OD1 2.93Å; Q120-D172 PolarHBondContact NE2-OD2 3.12Å; Q120-D172 VanDerWaalsContact NE2-OD2 3.16Å; H126-D172 IonicContact CE1-OD1 2.73Å; H126-D172 IonicContact CG-OD1 3.45Å; H126-D172 IonicContact ND1-OD1 2.74Å; H126-D172 PolarHBondContact ND1-OD1 3.1Å; L168-D172 PolarHBondContact O-N 3.37Å; Q169-D172 WeakPolarHBondContact O-CB 3.3Å; Q169-D172 PolarHBondContact O-N 2.99Å; A170-D172 VanDerWaalsContact C-N 3.34Å; A170-D172 PolarHBondContact O-N 2.85Å; D172-Y176 VanDerWaalsContact O-CD2 3.27Å; D172-Y176 WeakPolarHBondContact O-CD2 3.37Å
173	I	98.4	Very high	96.2	Very high	2 Å²	2	15.6 Å²	15.6	1%	0.01	8%	0.076	C	C	.	.	H	α-helix	trans	-78.4	-50.5	-178	-66	163.5	0	0	0	110.8	F44 Q169 A170 A171 S178 V181 L191 A194 P212	F44-I173 HydrophobicContact CD1-CG1 4.03Å; Q169-I173 HydrophobicContact CG-CD1 4.2Å; Q169-I173 WeakPolarHBondContact O-CD1 3.36Å; Q169-I173 VanDerWaalsContact O-CG1 3.3Å; Q169-I173 WeakPolarHBondContact O-CG1 3.47Å; Q169-I173 PolarHBondContact O-N 3.25Å; A170-I173 PolarHBondContact O-N 3.43Å; A171-I173 PolarHBondContact O-N 3.49Å; I173-S178 WeakPolarHBondContact O-CB 3.24Å; I173-S178 PolarHBondContact O-N 2.96Å; I173-S178 PolarHBondContact O-OG 3.48Å; I173-V181 HydrophobicContact CD1-CG1 4.14Å; I173-V181 HydrophobicContact CD1-CG2 4.15Å; I173-V181 HydrophobicContact CG1-CG1 4.38Å; I173-V181 HydrophobicContact CG1-CG2 4.16Å; I173-V181 HydrophobicContact CG2-CG2 3.72Å; I173-L191 HydrophobicContact CD1-CD1 3.97Å; I173-A194 HydrophobicContact CD1-CB 4.24Å; I173-P212 HydrophobicContact CG2-CB 3.73Å; I173-P212 HydrophobicContact CG2-CG 3.89Å
174	L	98.3	Very high	95.8	Very high	0 Å²	0	15.4 Å²	15.4	0%	0	9%	0.085	C	C	.	.	H	α-helix	trans	-75.6	-30.1	-169.4	-64.5	-178.3	0	0	0	112.8	F129 L133 A170 A171 Y176 K177 L197 A198 F209 P212	F129-L174 HydrophobicContact CE1-CB 3.76Å; F129-L174 HydrophobicContact CZ-CB 4.32Å; L133-L174 HydrophobicContact CD1-CD1 4.31Å; A170-L174 WeakPolarHBondContact O-CB 3.41Å; A170-L174 VanDerWaalsContact O-CG 3.28Å; A170-L174 WeakPolarHBondContact O-CG 3.42Å; A170-L174 PolarHBondContact O-N 2.66Å; A171-L174 PolarHBondContact O-N 3.3Å; L174-Y176 PolarHBondContact O-N 3.25Å; L174-K177 PolarHBondContact O-N 3.3Å; L174-L197 HydrophobicContact CD1-CB 4.49Å; L174-A198 HydrophobicContact CD1-CB 4.06Å; L174-A198 HydrophobicContact CD2-CB 3.86Å; L174-F209 HydrophobicContact CB-CD1 3.99Å; L174-F209 HydrophobicContact CB-CE1 4.24Å; L174-F209 HydrophobicContact CB-CG 4.36Å; L174-F209 HydrophobicContact CD2-CB 4.26Å; L174-F209 VanDerWaalsContact O-CD1 3.26Å; L174-F209 WeakPolarHBondContact O-CD1 3.49Å; L174-F209 WeakPolarHBondContact O-CE1 3.27Å; L174-P212 HydrophobicContact CD2-CG 4.39Å
175	L	98.1	Very high	95	Very high	0 Å²	0	18.9 Å²	18.9	0%	0	10%	0.099	C	C	.	.	T	Hydrogen-bonded Turn	trans	-56.1	-27.4	178.2	-173.9	62	0	0	0	113.1	E125 F129 A171 A351 M354 L355	E125-L175 HydrophobicContact CB-CD1 4.1Å; E125-L175 HydrophobicContact CB-CD2 3.78Å; F129-L175 HydrophobicContact CB-CD1 4.48Å; F129-L175 HydrophobicContact CD1-CB 4.06Å; F129-L175 HydrophobicContact CD1-CD1 4.19Å; A171-L175 WeakPolarHBondContact O-CB 3.43Å; A171-L175 PolarHBondContact O-N 3.49Å; L175-A351 HydrophobicContact CD1-CB 4.13Å; L175-A351 HydrophobicContact CD2-CB 3.68Å; L175-A351 HydrophobicContact CG-CB 3.72Å; L175-M354 HydrophobicContact CD1-CB 4.27Å; L175-M354 HydrophobicContact CD1-CG 4.44Å; L175-M354 WeakPolarHBondContact O-CB 3.34Å; L175-M354 VanDerWaalsContact O-CG 3.28Å; L175-M354 WeakPolarHBondContact O-CG 3.4Å; L175-L355 HydrophobicContact CD1-CB 4.4Å
176	Y	98.2	Very high	94.2	Very high	1 Å²	1	23 Å²	23	0%	0.004	12%	0.122	C	C	.	.	T	Hydrogen-bonded Turn	trans	-101.3	9	177	-56.5	-75.7	0	0	0	113.4	R42 F44 L76 F118 H126 D172 L174 S178 A347 L350 A351	R42-Y176 WeakPolarHBondContact CD-O 3.11Å; R42-Y176 PolarHBondContact NH1-O 3.07Å; F44-Y176 AromaticContact CD2-CD2 3.67Å; F44-Y176 HydrophobicContact CD2-CD2 3.67Å; F44-Y176 HydrophobicContact CD2-CE2 4.1Å; F44-Y176 AromaticContact CE2-CD2 3.71Å; F44-Y176 HydrophobicContact CE2-CD2 3.71Å; F44-Y176 AromaticContact CE2-CE2 3.65Å; F44-Y176 HydrophobicContact CE2-CE2 3.65Å; L76-Y176 HydrophobicContact CD2-CD1 3.46Å; L76-Y176 VanDerWaalsContact CD2-CD1 3.46Å; L76-Y176 HydrophobicContact CD2-CD2 4.13Å; L76-Y176 HydrophobicContact CD2-CE1 3.75Å; L76-Y176 HydrophobicContact CD2-CE2 4.4Å; L76-Y176 HydrophobicContact CD2-CG 3.67Å; F118-Y176 AromaticContact CZ-CE2 3.99Å; F118-Y176 HydrophobicContact CZ-CE2 3.99Å; F118-Y176 AromaticContact CZ-CZ 3.89Å; F118-Y176 WeakPolarHBondContact CZ-OH 3.31Å; H126-Y176 AromaticContact CE1-CE2 3.59Å; H126-Y176 AromaticContact NE2-CE2 3.52Å; H126-Y176 AromaticContact NE2-CZ 3.55Å; H126-Y176 PolarHBondContact NE2-OH 2.95Å; D172-Y176 VanDerWaalsContact O-CD2 3.27Å; D172-Y176 WeakPolarHBondContact O-CD2 3.37Å; L174-Y176 PolarHBondContact O-N 3.25Å; Y176-S178 PolarHBondContact O-N 3.22Å; Y176-A347 HydrophobicContact CE1-CB 4.24Å; Y176-A347 WeakPolarHBondContact CE1-O 3.11Å; Y176-L350 HydrophobicContact CD1-CB 3.86Å; Y176-L350 HydrophobicContact CD1-CD1 4.31Å; Y176-L350 HydrophobicContact CE1-CB 4.15Å; Y176-A351 HydrophobicContact CE1-CB 3.92Å
177	K	97.2	Very high	93.6	Very high	67 Å²	67	24.8 Å²	24.8	29%	0.291	13%	0.13	S	C	.	.	T	Hydrogen-bonded Turn	trans	51	42.1	-171.1	-68.7	177.5	163	164.7	0	111.6	L174 T179 L208 F209 P210 M354 E357	L174-K177 PolarHBondContact O-N 3.3Å; K177-T179 PolarHBondContact O-N 2.81Å; K177-L208 VanDerWaalsContact CE-CD1 3.45Å; K177-L208 WeakPolarHBondContact CE-O 3.28Å; K177-L208 VanDerWaalsContact NZ-CD1 3.31Å; K177-F209 HydrophobicContact CG-CD1 4.3Å; K177-P210 HydrophobicContact CB-CG 4.15Å; K177-P210 WeakPolarHBondContact O-CG 3.46Å; K177-M354 HydrophobicContact CD-CE 3.46Å; K177-M354 VanDerWaalsContact CD-CE 3.46Å; K177-M354 HydrophobicContact CD-SD 4.1Å; K177-M354 WeakPolarHBondContact CE-SD 3.48Å; K177-M354 HydrophobicContact CG-CE 3.82Å; K177-M354 HydrophobicContact CG-SD 4.1Å; K177-E357 IonicContact NZ-OE2 2.72Å
178	S	97.5	Very high	93.2	Very high	0 Å²	0	26.6 Å²	26.6	0%	0	14%	0.141	C	C	.	.			trans	-67.3	132.2	-176.2	-51.9	0	0	0	0	110.6	F44 I173 Y176	F44-S178 WeakPolarHBondContact CB-OG 3.25Å; I173-S178 WeakPolarHBondContact O-CB 3.24Å; I173-S178 PolarHBondContact O-N 2.96Å; I173-S178 PolarHBondContact O-OG 3.48Å; Y176-S178 PolarHBondContact O-N 3.22Å
179	T	96.6	Very high	92.7	Very high	19 Å²	19	29.8 Å²	29.8	12%	0.117	16%	0.156	C	C	.	.			trans	-98.2	-23.9	-178.7	54.1	0	0	0	0	112.8	A41 R42 K177 P210 H213	A41-T179 WeakPolarHBondContact CA-OG1 3.25Å; R42-T179 PolarHBondContact N-OG1 3.34Å; R42-T179 PolarHBondContact O-N 3.21Å; R42-T179 PolarHBondContact O-OG1 2.95Å; K177-T179 PolarHBondContact O-N 2.81Å; T179-P210 HydrophobicContact CG2-CB 4.3Å; T179-P210 HydrophobicContact CG2-CG 4.2Å; T179-H213 PolarHBondContact O-N 3.03Å; T179-H213 PolarHBondContact O-ND1 3.27Å
180	H	96.1	Very high	92.4	Very high	32 Å²	32	28.6 Å²	28.6	15%	0.148	15%	0.15	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.4	134.5	-172.5	-67.3	87.7	0	0	0	109.7	R42 V43 F44 Y72 H213 L215	R42-H180 PolarHBondContact O-N 3.44Å; V43-H180 VanDerWaalsContact CA-O 3.3Å; V43-H180 WeakPolarHBondContact CA-O 3.38Å; V43-H180 HydrophobicContact CG2-CB 4.07Å; F44-H180 PolarHBondContact N-O 2.87Å; F44-H180 VanDerWaalsContact N-O 3.1Å; Y72-H180 HydrophobicContact CE1-CB 4.39Å; Y72-H180 AromaticContact CE1-CG 3.88Å; Y72-H180 AromaticContact CE1-ND1 3.76Å; H180-H213 CarbonylContact C-O 3.6Å; H180-H213 WeakPolarHBondContact CA-O 3.44Å; H180-L215 HydrophobicContact CB-CD1 3.75Å; H180-L215 HydrophobicContact CB-CG 3.95Å
181	V	95.5	Very high	92.3	Very high	4 Å²	4	28.7 Å²	28.7	2%	0.024	15%	0.151	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.9	109	-177	-169.1	0	0	0	0	109	F44 I173 V183 L191 P212 H213 L215	F44-V181 WeakPolarHBondContact O-CG1 3.48Å; I173-V181 HydrophobicContact CD1-CG1 4.14Å; I173-V181 HydrophobicContact CD1-CG2 4.15Å; I173-V181 HydrophobicContact CG1-CG1 4.38Å; I173-V181 HydrophobicContact CG1-CG2 4.16Å; I173-V181 HydrophobicContact CG2-CG2 3.72Å; V181-V183 HydrophobicContact CB-CG1 4.34Å; V181-V183 HydrophobicContact CG1-CG1 3.56Å; V181-V183 PolarHBondContact O-N 2.91Å; V181-L191 HydrophobicContact CB-CD1 3.93Å; V181-L191 HydrophobicContact CG1-CD1 4.36Å; V181-L191 HydrophobicContact CG2-CD1 3.76Å; V181-P212 HydrophobicContact CG2-CB 3.89Å; V181-H213 PolarHBondContact N-O 3.4Å; V181-L215 PolarHBondContact O-N 3.44Å
182	P	92.1	Very high	92.1	Very high	10 Å²	10	33.1 Å²	33.1	7%	0.065	17%	0.172	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-73.2	117.8	174.8	28.9	-31.8	0	0	0	109	V43 F44 S45 L68 L215	V43-P182 HydrophobicContact CG1-CG 4.17Å; F44-P182 WeakPolarHBondContact O-CD 3.35Å; S45-P182 PolarHBondContact OG-O 3.31Å; L68-P182 HydrophobicContact CD1-CB 4.03Å; L68-P182 HydrophobicContact CD1-CG 3.87Å; P182-L215 WeakPolarHBondContact CA-O 3.01Å; P182-L215 HydrophobicContact CB-CB 4.15Å
183	V	85.6	Confident	91.9	Very high	19 Å²	19	33.1 Å²	33.1	12%	0.115	17%	0.171	C	C	.	.			trans	-140.6	152.6	-174.6	-67	0	0	0	0	110.9	V181 Q187 A214 L216	V181-V183 HydrophobicContact CB-CG1 4.34Å; V181-V183 HydrophobicContact CG1-CG1 3.56Å; V181-V183 PolarHBondContact O-N 2.91Å; V183-Q187 HydrophobicContact CB-CB 3.98Å; V183-Q187 HydrophobicContact CG1-CB 4.31Å; V183-A214 HydrophobicContact CG2-CB 4.12Å; V183-L216 HydrophobicContact CG2-CD2 4.46Å
184	G	82.6	Confident	91.8	Very high	29 Å²	29	33 Å²	33	30%	0.299	17%	0.171	S	C	.	.			trans	-74.1	161.8	167.3	0	0	0	0	0	111.7	D186 Q187	G184-D186 PolarHBondContact O-N 2.94Å; G184-D186 VanDerWaalsContact O-N 3.11Å; G184-Q187 PolarHBondContact O-N 2.85Å
185	E	78.4	Confident	91.8	Very high	140 Å²	140	35 Å²	35	65%	0.654	18%	0.18	S	C	*	.	G	3₁₀ helix	trans	-52.9	-31.4	175.7	-67.6	169	165.7	0	0	112.5	Q187 V188 K221	E185-Q187 VanDerWaalsContact C-N 3.26Å; E185-Q187 PolarHBondContact O-N 3Å; E185-V188 WeakPolarHBondContact O-CG2 3.26Å; E185-V188 PolarHBondContact O-N 2.82Å; E185-K221 IonicContact OE1-NZ 3.78Å; E185-K221 IonicContact OE2-NZ 2.75Å; E185-K221 PolarHBondContact OE2-NZ 2.67Å
186	D	78.1	Confident	91.7	Very high	102 Å²	102	36.9 Å²	36.9	55%	0.545	19%	0.19	S	C	.	.	G	3₁₀ helix	trans	-68.5	-21.6	179.8	62.6	-62.5	0	0	0	113.8	Q147 G184	Q147-D186 PolarHBondContact NE2-O 3.26Å; G184-D186 PolarHBondContact O-N 2.94Å; G184-D186 VanDerWaalsContact O-N 3.11Å
187	Q	83.7	Confident	91.7	Very high	42 Å²	42	36.9 Å²	36.9	20%	0.196	19%	0.19	C	C	.	.	G	3₁₀ helix	trans	-101.3	-1.9	-176.4	-61.4	-61.4	-44.7	0	0	113.4	Q147 V183 G184 E185 Q189 H190 L191	Q147-Q187 VanDerWaalsContact NE2-NE2 3.1Å; V183-Q187 HydrophobicContact CB-CB 3.98Å; V183-Q187 HydrophobicContact CG1-CB 4.31Å; G184-Q187 PolarHBondContact O-N 2.85Å; E185-Q187 VanDerWaalsContact C-N 3.26Å; E185-Q187 PolarHBondContact O-N 3Å; Q187-Q189 VanDerWaalsContact C-N 3.29Å; Q187-Q189 PolarHBondContact O-N 2.78Å; Q187-H190 WeakPolarHBondContact O-CB 3.35Å; Q187-H190 PolarHBondContact O-N 3.1Å; Q187-H190 PolarHBondContact OE1-CE1 3.04Å; Q187-H190 PolarHBondContact OE1-ND1 2.82Å; Q187-L191 PolarHBondContact O-N 2.85Å
188	V	87.9	Confident	91.8	Very high	42 Å²	42	33.7 Å²	33.7	26%	0.255	18%	0.176	S	C	.	.	H	α-helix	trans	-56.2	-43.4	-177	172	0	0	0	0	111.6	E185 H190 L191 E192 L216	E185-V188 WeakPolarHBondContact O-CG2 3.26Å; E185-V188 PolarHBondContact O-N 2.82Å; V188-H190 VanDerWaalsContact C-N 3.27Å; V188-H190 PolarHBondContact O-N 3.24Å; V188-L191 WeakPolarHBondContact O-CA 3.45Å; V188-L191 WeakPolarHBondContact O-CB 3.22Å; V188-L191 PolarHBondContact O-N 3.09Å; V188-E192 PolarHBondContact O-N 3.46Å; V188-L216 HydrophobicContact CG2-CD2 4.07Å
189	Q	89.9	Confident	91.8	Very high	86 Å²	86	38.5 Å²	38.5	40%	0.402	19%	0.194	S	C	.	.	H	α-helix	trans	-66.9	-25.4	179.9	-63.1	-170.1	19.1	0	0	114	L145 Q187 L193	L145-Q189 HydrophobicContact CD2-CB 4.29Å; Q187-Q189 VanDerWaalsContact C-N 3.29Å; Q187-Q189 PolarHBondContact O-N 2.78Å; Q189-L193 PolarHBondContact O-N 3.18Å
190	H	91.9	Very high	91.9	Very high	1 Å²	1	39.8 Å²	39.8	1%	0.005	20%	0.2	C	C	.	.	H	α-helix	trans	-75.5	-33.1	171.8	-59.6	164.3	0	0	0	111.8	Q147 Y165 Q169 Q187 V188 L193 A194	Q147-H190 VanDerWaalsContact CD-NE2 3.32Å; Q147-H190 PolarHBondContact NE2-CE1 3.39Å; Q147-H190 PolarHBondContact OE1-CE1 3.38Å; Y165-H190 AromaticContact CE2-CE1 3.39Å; Y165-H190 WeakPolarHBondContact CE2-CE1 3.35Å; Y165-H190 AromaticContact CZ-CE1 3.63Å; Y165-H190 AromaticContact CZ-NE2 3.97Å; Y165-H190 PolarHBondContact OH-CE1 2.94Å; Y165-H190 PolarHBondContact OH-NE2 2.89Å; Q169-H190 PolarHBondContact OE1-ND1 3.33Å; Q169-H190 VanDerWaalsContact OE1-ND1 3.07Å; Q187-H190 WeakPolarHBondContact O-CB 3.35Å; Q187-H190 PolarHBondContact O-N 3.1Å; Q187-H190 PolarHBondContact OE1-CE1 3.04Å; Q187-H190 PolarHBondContact OE1-ND1 2.82Å; V188-H190 VanDerWaalsContact C-N 3.27Å; V188-H190 PolarHBondContact O-N 3.24Å; H190-L193 WeakPolarHBondContact O-CB 3.42Å; H190-L193 PolarHBondContact O-N 3.18Å; H190-A194 PolarHBondContact O-N 3.46Å
191	L	94.2	Very high	92	Very high	3 Å²	3	38.3 Å²	38.3	2%	0.016	19%	0.193	C	C	.	.	H	α-helix	trans	-67.5	-39.4	173.3	-171	68.1	0	0	0	111.1	I173 V181 Q187 V188 L193 A194 Q195 P212 A214	I173-L191 HydrophobicContact CD1-CD1 3.97Å; V181-L191 HydrophobicContact CB-CD1 3.93Å; V181-L191 HydrophobicContact CG1-CD1 4.36Å; V181-L191 HydrophobicContact CG2-CD1 3.76Å; Q187-L191 PolarHBondContact O-N 2.85Å; V188-L191 WeakPolarHBondContact O-CA 3.45Å; V188-L191 WeakPolarHBondContact O-CB 3.22Å; V188-L191 PolarHBondContact O-N 3.09Å; L191-L193 VanDerWaalsContact C-N 3.27Å; L191-L193 PolarHBondContact O-N 2.89Å; L191-A194 WeakPolarHBondContact O-CA 3.31Å; L191-A194 WeakPolarHBondContact O-CB 3.41Å; L191-A194 PolarHBondContact O-N 3.13Å; L191-Q195 WeakPolarHBondContact O-CG 3.18Å; L191-Q195 PolarHBondContact O-N 3.02Å; L191-P212 HydrophobicContact CD1-CB 4Å; L191-P212 HydrophobicContact CD1-CG 3.86Å; L191-A214 VanDerWaalsContact CD2-CA 3.45Å; L191-A214 HydrophobicContact CD2-CB 3.52Å; L191-A214 VanDerWaalsContact CD2-N 3.33Å
192	E	94.4	Very high	92.1	Very high	93 Å²	93	38.6 Å²	38.6	44%	0.435	20%	0.195	S	C	.	.	H	α-helix	trans	-56.6	-42.5	170.7	-69.3	170.2	-179.8	0	0	111	V188 A194 Q195 D196	V188-E192 PolarHBondContact O-N 3.46Å; E192-A194 VanDerWaalsContact C-N 3.33Å; E192-A194 PolarHBondContact O-N 3.14Å; E192-Q195 PolarHBondContact O-N 3.17Å; E192-D196 PolarHBondContact O-N 3.43Å
193	L	95.5	Very high	92.4	Very high	3 Å²	3	45 Å²	45	2%	0.016	23%	0.228	C	C	.	.	H	α-helix	trans	-59.5	-42	172.5	176.2	66	0	0	0	112.4	R141 L142 L145 P166 Q189 H190 L191 D196 L197	R141-L193 HydrophobicContact CG-CD1 4.3Å; L142-L193 HydrophobicContact CD2-CD2 4.01Å; L145-L193 HydrophobicContact CD1-CD2 4.33Å; P166-L193 HydrophobicContact CB-CD2 3.46Å; P166-L193 VanDerWaalsContact CB-CD2 3.46Å; Q189-L193 PolarHBondContact O-N 3.18Å; H190-L193 WeakPolarHBondContact O-CB 3.42Å; H190-L193 PolarHBondContact O-N 3.18Å; L191-L193 VanDerWaalsContact C-N 3.27Å; L191-L193 PolarHBondContact O-N 2.89Å; L193-D196 PolarHBondContact O-N 2.85Å; L193-L197 HydrophobicContact CD1-CD1 4.07Å; L193-L197 HydrophobicContact CD1-CG 4.2Å; L193-L197 HydrophobicContact CG-CD1 3.98Å; L193-L197 WeakPolarHBondContact O-CB 3.31Å; L193-L197 WeakPolarHBondContact O-CG 3.38Å; L193-L197 PolarHBondContact O-N 2.92Å
194	A	97.2	Very high	92.9	Very high	0 Å²	0	49.8 Å²	49.8	0%	0	25%	0.249	C	C	.	.	H	α-helix	trans	-65.1	-39.8	177.5	0	0	0	0	0	112.3	A170 I173 H190 L191 E192 L197 A198 P212	A170-A194 HydrophobicContact CB-CB 3.78Å; I173-A194 HydrophobicContact CD1-CB 4.24Å; H190-A194 PolarHBondContact O-N 3.46Å; L191-A194 WeakPolarHBondContact O-CA 3.31Å; L191-A194 WeakPolarHBondContact O-CB 3.41Å; L191-A194 PolarHBondContact O-N 3.13Å; E192-A194 VanDerWaalsContact C-N 3.33Å; E192-A194 PolarHBondContact O-N 3.14Å; A194-L197 PolarHBondContact O-N 3.39Å; A194-A198 PolarHBondContact O-N 2.9Å; A194-P212 HydrophobicContact CB-CG 4.28Å
195	Q	97.5	Very high	93.7	Very high	43 Å²	43	52.1 Å²	52.1	20%	0.201	25%	0.249	C	C	.	.	H	α-helix	trans	-61.6	-47.8	174	-67.8	168.8	-13.3	0	0	111.3	L191 E192 L197 A198 R199 P212	L191-Q195 WeakPolarHBondContact O-CG 3.18Å; L191-Q195 PolarHBondContact O-N 3.02Å; E192-Q195 PolarHBondContact O-N 3.17Å; Q195-L197 VanDerWaalsContact C-N 3.34Å; Q195-L197 PolarHBondContact O-N 3.06Å; Q195-A198 WeakPolarHBondContact O-CB 3.47Å; Q195-A198 PolarHBondContact O-N 2.97Å; Q195-R199 WeakPolarHBondContact O-CG 3.49Å; Q195-R199 PolarHBondContact O-N 2.81Å; Q195-P212 HydrophobicContact CG-CG 4.09Å; Q195-P212 WeakPolarHBondContact CG-O 3.31Å; Q195-P212 PolarHBondContact NE2-O 3.1Å
196	D	96.7	Very high	94.5	Very high	39 Å²	39	47.2 Å²	47.2	21%	0.209	24%	0.236	C	C	.	.	H	α-helix	trans	-62.4	-40.8	177.8	-76.4	38.3	0	0	0	112.4	R141 E192 L193 A198 R199 I200	R141-D196 VanDerWaalsContact CZ-CB 3.47Å; R141-D196 IonicContact CZ-OD2 3.12Å; R141-D196 IonicContact NH1-OD2 2.75Å; R141-D196 PolarHBondContact NH1-OD2 2.78Å; R141-D196 IonicContact NH2-OD1 3.9Å; R141-D196 IonicContact NH2-OD2 2.64Å; R141-D196 PolarHBondContact NH2-OD2 2.94Å; E192-D196 PolarHBondContact O-N 3.43Å; L193-D196 PolarHBondContact O-N 2.85Å; D196-A198 VanDerWaalsContact C-N 3.34Å; D196-R199 PolarHBondContact O-N 3.32Å; D196-R199 IonicContact OD1-CZ 3.51Å; D196-R199 IonicContact OD1-NH1 2.66Å; D196-R199 IonicContact OD1-NH2 3.51Å; D196-R199 PolarHBondContact OD1-NH2 2.85Å; D196-R199 IonicContact OD2-NH2 2.69Å; D196-I200 WeakPolarHBondContact O-CB 3.41Å; D196-I200 VanDerWaalsContact O-CG1 3.25Å; D196-I200 WeakPolarHBondContact O-CG1 3.31Å; D196-I200 PolarHBondContact O-N 3.18Å
197	L	97.9	Very high	95.4	Very high	0 Å²	0	49.8 Å²	49.8	0%	0	24%	0.244	C	C	.	.	H	α-helix	trans	-66.2	-36.9	176.7	-76.6	170.5	0	0	0	112.2	L133 L136 T137 A170 L174 L193 A194 Q195 I200 F201	L133-L197 HydrophobicContact CB-CD1 4.5Å; L133-L197 HydrophobicContact CD2-CB 4.49Å; L136-L197 HydrophobicContact CB-CD2 4.21Å; T137-L197 VanDerWaalsContact OG1-CD2 3.3Å; T137-L197 WeakPolarHBondContact OG1-CD2 3.32Å; A170-L197 HydrophobicContact CB-CD1 3.66Å; L174-L197 HydrophobicContact CD1-CB 4.49Å; L193-L197 HydrophobicContact CD1-CD1 4.07Å; L193-L197 HydrophobicContact CD1-CG 4.2Å; L193-L197 HydrophobicContact CG-CD1 3.98Å; L193-L197 WeakPolarHBondContact O-CB 3.31Å; L193-L197 WeakPolarHBondContact O-CG 3.38Å; L193-L197 PolarHBondContact O-N 2.92Å; A194-L197 PolarHBondContact O-N 3.39Å; Q195-L197 VanDerWaalsContact C-N 3.34Å; Q195-L197 PolarHBondContact O-N 3.06Å; L197-I200 PolarHBondContact O-N 2.89Å; L197-F201 VanDerWaalsContact O-CB 3.29Å; L197-F201 WeakPolarHBondContact O-CB 3.35Å; L197-F201 PolarHBondContact O-N 3.16Å
198	A	98.2	Very high	96	Very high	0 Å²	0	48.6 Å²	48.6	0%	0	24%	0.239	C	C	.	.	H	α-helix	trans	-59.7	-47.9	171.2	0	0	0	0	0	111.1	L174 A194 Q195 D196 F201 N202 F209	L174-A198 HydrophobicContact CD1-CB 4.06Å; L174-A198 HydrophobicContact CD2-CB 3.86Å; A194-A198 PolarHBondContact O-N 2.9Å; Q195-A198 WeakPolarHBondContact O-CB 3.47Å; Q195-A198 PolarHBondContact O-N 2.97Å; D196-A198 VanDerWaalsContact C-N 3.34Å; A198-F201 PolarHBondContact O-N 3.37Å; A198-N202 WeakPolarHBondContact O-CB 3.42Å; A198-N202 VanDerWaalsContact O-CG 3.24Å; A198-N202 PolarHBondContact O-N 3.07Å; A198-N202 PolarHBondContact O-OD1 3.18Å; A198-F209 HydrophobicContact CB-CB 3.98Å
199	R	98.2	Very high	96.5	Very high	101 Å²	101	46.8 Å²	46.8	38%	0.381	23%	0.228	S	C	.	.	H	α-helix	trans	-62.5	-45	177.7	-68.6	-166.4	-61	-90.5	3.7	112.7	Q195 D196 N202 L203 E211	Q195-R199 WeakPolarHBondContact O-CG 3.49Å; Q195-R199 PolarHBondContact O-N 2.81Å; D196-R199 PolarHBondContact O-N 3.32Å; D196-R199 IonicContact OD1-CZ 3.51Å; D196-R199 IonicContact OD1-NH1 2.66Å; D196-R199 IonicContact OD1-NH2 3.51Å; D196-R199 PolarHBondContact OD1-NH2 2.85Å; D196-R199 IonicContact OD2-NH2 2.69Å; R199-N202 PolarHBondContact O-N 2.91Å; R199-L203 VanDerWaalsContact O-CB 3.31Å; R199-L203 WeakPolarHBondContact O-CB 3.23Å; R199-L203 PolarHBondContact O-N 3.29Å; R199-E211 WeakPolarHBondContact CD-OE1 3.32Å; R199-E211 HydrophobicContact CG-CG 4.08Å; R199-E211 VanDerWaalsContact CG-OE1 3.23Å; R199-E211 WeakPolarHBondContact CG-OE1 3.37Å; R199-E211 IonicContact CZ-OE2 3.79Å; R199-E211 IonicContact NH1-OE2 2.57Å; R199-E211 PolarHBondContact NH1-OE2 2.94Å
200	I	97.8	Very high	96.8	Very high	47 Å²	47	44.9 Å²	44.9	24%	0.241	22%	0.223	C	C	.	.	H	α-helix	trans	-62.3	-45.9	178.2	-69.6	163.9	0	0	0	110.2	L136 D196 L197 L203 H204	L136-I200 HydrophobicContact CB-CG2 4.2Å; L136-I200 HydrophobicContact CD1-CG2 4.47Å; D196-I200 WeakPolarHBondContact O-CB 3.41Å; D196-I200 VanDerWaalsContact O-CG1 3.25Å; D196-I200 WeakPolarHBondContact O-CG1 3.31Å; D196-I200 PolarHBondContact O-N 3.18Å; L197-I200 PolarHBondContact O-N 2.89Å; I200-L203 PolarHBondContact O-N 2.96Å; I200-H204 PolarHBondContact O-CD2 3.24Å; I200-H204 PolarHBondContact O-N 2.72Å; I200-H204 VanDerWaalsContact O-N 3.12Å
201	F	98.4	Very high	97	Very high	0 Å²	0	48.7 Å²	48.7	0%	0	24%	0.241	C	C	.	.	H	α-helix	trans	-60.4	-49.7	177.7	-171.6	-79.4	0	0	0	111	L133 L136 L197 A198 L203 H204 Y205 L208 F209 V358 R361 V362	L133-F201 HydrophobicContact CD2-CD2 4.48Å; L136-F201 HydrophobicContact CD1-CB 4.23Å; L136-F201 HydrophobicContact CD1-CD2 3.83Å; L197-F201 VanDerWaalsContact O-CB 3.29Å; L197-F201 WeakPolarHBondContact O-CB 3.35Å; L197-F201 PolarHBondContact O-N 3.16Å; A198-F201 PolarHBondContact O-N 3.37Å; F201-L203 VanDerWaalsContact C-N 3.3Å; F201-L203 PolarHBondContact O-N 3.03Å; F201-H204 PolarHBondContact O-N 2.81Å; F201-Y205 HydrophobicContact CD1-CD2 4.23Å; F201-Y205 AromaticContact CD2-CD2 3.76Å; F201-Y205 HydrophobicContact CD2-CD2 3.76Å; F201-Y205 HydrophobicContact CD2-CE2 4.22Å; F201-Y205 HydrophobicContact CE1-CD2 4.17Å; F201-Y205 HydrophobicContact CE1-CG 4.4Å; F201-Y205 AromaticContact CE2-CD2 3.7Å; F201-Y205 HydrophobicContact CE2-CD2 3.7Å; F201-Y205 HydrophobicContact CE2-CE2 4.2Å; F201-Y205 HydrophobicContact CE2-CG 4.46Å; F201-Y205 HydrophobicContact CG-CD2 4.03Å; F201-Y205 AromaticContact CZ-CD2 3.91Å; F201-Y205 HydrophobicContact CZ-CD2 3.91Å; F201-Y205 HydrophobicContact CZ-CG 4.25Å; F201-Y205 WeakPolarHBondContact O-CB 3.3Å; F201-Y205 WeakPolarHBondContact O-CD2 2.92Å; F201-Y205 PolarHBondContact O-N 3.37Å; F201-L208 HydrophobicContact CD1-CB 4.47Å; F201-L208 HydrophobicContact CE1-CB 4.27Å; F201-L208 HydrophobicContact CE1-CD2 3.71Å; F201-L208 HydrophobicContact CZ-CD2 4.3Å; F201-F209 HydrophobicContact CB-CD2 4.29Å; F201-F209 AromaticContact CD1-CD2 3.65Å; F201-F209 HydrophobicContact CD1-CD2 3.65Å; F201-F209 AromaticContact CD1-CE2 3.55Å; F201-F209 HydrophobicContact CD1-CE2 3.55Å; F201-F209 HydrophobicContact CD2-CE2 4.22Å; F201-F209 HydrophobicContact CE1-CD2 4.21Å; F201-F209 AromaticContact CE1-CE2 3.71Å; F201-F209 HydrophobicContact CE1-CE2 3.71Å; F201-F209 HydrophobicContact CE2-CE2 4.35Å; F201-F209 AromaticContact CG-CD2 3.97Å; F201-F209 HydrophobicContact CG-CD2 3.97Å; F201-F209 AromaticContact CG-CE2 3.83Å; F201-F209 HydrophobicContact CG-CE2 3.83Å; F201-F209 HydrophobicContact CZ-CE2 4.12Å; F201-V358 HydrophobicContact CE2-CG1 3.9Å; F201-V358 HydrophobicContact CZ-CB 4.37Å; F201-V358 HydrophobicContact CZ-CG1 3.97Å; F201-V358 HydrophobicContact CZ-CG2 4.12Å; F201-R361 HydrophobicContact CZ-CB 4.45Å; F201-V362 HydrophobicContact CE2-CG1 4.09Å; F201-V362 HydrophobicContact CZ-CG1 4.44Å
202	N	98.3	Very high	97	Very high	11 Å²	11	48.6 Å²	48.6	6%	0.059	24%	0.24	C	C	.	.	H	α-helix	trans	-63.3	-36.6	-178.6	-69.4	3.4	0	0	0	112.4	A198 R199 G206 E207 L208 F209	A198-N202 WeakPolarHBondContact O-CB 3.42Å; A198-N202 VanDerWaalsContact O-CG 3.24Å; A198-N202 PolarHBondContact O-N 3.07Å; A198-N202 PolarHBondContact O-OD1 3.18Å; R199-N202 PolarHBondContact O-N 2.91Å; N202-G206 WeakPolarHBondContact CA-O 3.35Å; N202-G206 CarbonylContact O-C 3.14Å; N202-G206 WeakPolarHBondContact O-CA 3.44Å; N202-G206 PolarHBondContact O-N 3.38Å; N202-E207 PolarHBondContact ND2-OE2 3.46Å; N202-L208 PolarHBondContact OD1-N 3.41Å; N202-L208 VanDerWaalsContact OD1-N 3.13Å; N202-F209 PolarHBondContact ND2-N 3.46Å; N202-F209 PolarHBondContact ND2-O 3.22Å; N202-F209 PolarHBondContact OD1-N 2.81Å
203	L	97.9	Very high	97	Very high	145 Å²	145	49.4 Å²	49.4	76%	0.759	24%	0.244	S	C	*	.	H	α-helix	trans	-64	-41.2	176.1	179.4	66.5	0	0	0	112.1	R199 I200 F201	R199-L203 VanDerWaalsContact O-CB 3.31Å; R199-L203 WeakPolarHBondContact O-CB 3.23Å; R199-L203 PolarHBondContact O-N 3.29Å; I200-L203 PolarHBondContact O-N 2.96Å; F201-L203 VanDerWaalsContact C-N 3.3Å; F201-L203 PolarHBondContact O-N 3.03Å
204	H	97	Very high	96.9	Very high	119 Å²	119	51 Å²	51	55%	0.551	26%	0.258	S	S	*	.	H	α-helix	trans	-80.8	-35.4	-176.7	-78.2	-124	0	0	0	112.9	I200 F201	I200-H204 PolarHBondContact O-CD2 3.24Å; I200-H204 PolarHBondContact O-N 2.72Å; I200-H204 VanDerWaalsContact O-N 3.12Å; F201-H204 PolarHBondContact O-N 2.81Å
205	Y	97.6	Very high	96.5	Very high	78 Å²	78	52.9 Å²	52.9	31%	0.306	27%	0.267	S	S	.	.	H	α-helix	trans	-126.2	13.2	-166.1	-56.1	-65.3	0	0	0	113.9	L136 F201 R361 V362	L136-Y205 HydrophobicContact CD1-CE2 4.24Å; L136-Y205 HydrophobicContact CD2-CE2 4.17Å; F201-Y205 HydrophobicContact CD1-CD2 4.23Å; F201-Y205 AromaticContact CD2-CD2 3.76Å; F201-Y205 HydrophobicContact CD2-CD2 3.76Å; F201-Y205 HydrophobicContact CD2-CE2 4.22Å; F201-Y205 HydrophobicContact CE1-CD2 4.17Å; F201-Y205 HydrophobicContact CE1-CG 4.4Å; F201-Y205 AromaticContact CE2-CD2 3.7Å; F201-Y205 HydrophobicContact CE2-CD2 3.7Å; F201-Y205 HydrophobicContact CE2-CE2 4.2Å; F201-Y205 HydrophobicContact CE2-CG 4.46Å; F201-Y205 HydrophobicContact CG-CD2 4.03Å; F201-Y205 AromaticContact CZ-CD2 3.91Å; F201-Y205 HydrophobicContact CZ-CD2 3.91Å; F201-Y205 HydrophobicContact CZ-CG 4.25Å; F201-Y205 WeakPolarHBondContact O-CB 3.3Å; F201-Y205 WeakPolarHBondContact O-CD2 2.92Å; F201-Y205 PolarHBondContact O-N 3.37Å; Y205-R361 VanDerWaalsContact CD1-O 3.27Å; Y205-R361 WeakPolarHBondContact CD1-O 3.38Å; Y205-R361 PolarHBondContact O-NH1 3.2Å; Y205-V362 HydrophobicContact CD1-CG1 4.47Å; Y205-V362 HydrophobicContact CD2-CG1 4.37Å; Y205-V362 HydrophobicContact CE1-CB 4.49Å; Y205-V362 HydrophobicContact CE1-CG1 4.16Å; Y205-V362 HydrophobicContact CE2-CG1 4.04Å
206	G	96.9	Very high	95.8	Very high	36 Å²	36	56 Å²	56	37%	0.371	29%	0.285	S	S	.	.			trans	81.1	159	-177.1	0	0	0	0	0	113.5	N202 L208 R361	N202-G206 WeakPolarHBondContact CA-O 3.35Å; N202-G206 CarbonylContact O-C 3.14Å; N202-G206 WeakPolarHBondContact O-CA 3.44Å; N202-G206 PolarHBondContact O-N 3.38Å; G206-L208 PolarHBondContact O-N 3.33Å; G206-R361 VanDerWaalsContact C-NH1 3.27Å; G206-R361 PolarHBondContact O-NH1 2.64Å
207	E	96.8	Very high	94.3	Very high	156 Å²	156	55.9 Å²	55.9	73%	0.729	29%	0.287	S	S	*	.	S	Bend	trans	-54.3	124.4	-179.1	-68.6	-64.6	156.7	0	0	111.9	N202 R361	N202-E207 PolarHBondContact ND2-OE2 3.46Å; E207-R361 PolarHBondContact O-NH1 3.24Å; E207-R361 PolarHBondContact O-NH2 3.26Å; E207-R361 VanDerWaalsContact O-NH2 3.16Å
208	L	96.6	Very high	92.5	Very high	17 Å²	17	61.8 Å²	61.8	9%	0.089	33%	0.329	C	S	.	.			trans	-143.6	-53.9	178.3	-179.2	54.4	0	0	0	111.9	K177 F201 N202 G206 M354 E357 V358	K177-L208 VanDerWaalsContact CE-CD1 3.45Å; K177-L208 WeakPolarHBondContact CE-O 3.28Å; K177-L208 VanDerWaalsContact NZ-CD1 3.31Å; F201-L208 HydrophobicContact CD1-CB 4.47Å; F201-L208 HydrophobicContact CE1-CB 4.27Å; F201-L208 HydrophobicContact CE1-CD2 3.71Å; F201-L208 HydrophobicContact CZ-CD2 4.3Å; N202-L208 PolarHBondContact OD1-N 3.41Å; N202-L208 VanDerWaalsContact OD1-N 3.13Å; G206-L208 PolarHBondContact O-N 3.33Å; L208-M354 HydrophobicContact CD1-SD 4.09Å; L208-M354 HydrophobicContact CD2-SD 4.42Å; L208-M354 HydrophobicContact CG-SD 4.4Å; L208-E357 HydrophobicContact CD1-CG 4.24Å; L208-E357 WeakPolarHBondContact CD1-OE1 3.41Å; L208-E357 WeakPolarHBondContact CD1-OE2 3.3Å; L208-E357 HydrophobicContact CD2-CG 4.35Å; L208-V358 HydrophobicContact CD2-CG2 3.96Å
209	F	97.6	Very high	90.7	Very high	5 Å²	5	64.2 Å²	64.2	2%	0.022	34%	0.343	C	S	.	.	P	Polyproline II helix	trans	-97.6	132.4	-171.4	-64.8	-65.3	0	0	0	111.9	F129 L174 K177 A198 F201 N202 M354 V358	F129-F209 HydrophobicContact CE1-CE1 4.24Å; F129-F209 HydrophobicContact CE1-CE2 4.47Å; F129-F209 AromaticContact CE1-CZ 3.87Å; F129-F209 HydrophobicContact CE1-CZ 3.87Å; F129-F209 HydrophobicContact CE2-CE2 4.22Å; F129-F209 HydrophobicContact CE2-CZ 4.07Å; F129-F209 HydrophobicContact CZ-CE1 4.08Å; F129-F209 AromaticContact CZ-CE2 3.56Å; F129-F209 HydrophobicContact CZ-CE2 3.56Å; F129-F209 AromaticContact CZ-CZ 3.3Å; F129-F209 HydrophobicContact CZ-CZ 3.3Å; L174-F209 HydrophobicContact CB-CD1 3.99Å; L174-F209 HydrophobicContact CB-CE1 4.24Å; L174-F209 HydrophobicContact CB-CG 4.36Å; L174-F209 HydrophobicContact CD2-CB 4.26Å; L174-F209 VanDerWaalsContact O-CD1 3.26Å; L174-F209 WeakPolarHBondContact O-CD1 3.49Å; L174-F209 WeakPolarHBondContact O-CE1 3.27Å; K177-F209 HydrophobicContact CG-CD1 4.3Å; A198-F209 HydrophobicContact CB-CB 3.98Å; F201-F209 HydrophobicContact CB-CD2 4.29Å; F201-F209 AromaticContact CD1-CD2 3.65Å; F201-F209 HydrophobicContact CD1-CD2 3.65Å; F201-F209 AromaticContact CD1-CE2 3.55Å; F201-F209 HydrophobicContact CD1-CE2 3.55Å; F201-F209 HydrophobicContact CD2-CE2 4.22Å; F201-F209 HydrophobicContact CE1-CD2 4.21Å; F201-F209 AromaticContact CE1-CE2 3.71Å; F201-F209 HydrophobicContact CE1-CE2 3.71Å; F201-F209 HydrophobicContact CE2-CE2 4.35Å; F201-F209 AromaticContact CG-CD2 3.97Å; F201-F209 HydrophobicContact CG-CD2 3.97Å; F201-F209 AromaticContact CG-CE2 3.83Å; F201-F209 HydrophobicContact CG-CE2 3.83Å; F201-F209 HydrophobicContact CZ-CE2 4.12Å; N202-F209 PolarHBondContact ND2-N 3.46Å; N202-F209 PolarHBondContact ND2-O 3.22Å; N202-F209 PolarHBondContact OD1-N 2.81Å; F209-M354 HydrophobicContact CE1-CG 4.08Å; F209-M354 HydrophobicContact CE1-SD 3.93Å; F209-M354 HydrophobicContact CZ-SD 4.47Å; F209-V358 HydrophobicContact CE2-CG2 4.09Å; F209-V358 HydrophobicContact CZ-CG2 3.54Å
210	P	95.8	Very high	89.3	Confident	45 Å²	45	64.3 Å²	64.3	29%	0.292	34%	0.344	S	S	.	.	P	Polyproline II helix	trans	-69.7	153.5	167.3	31.5	-34	0	0	0	110.2	K177 T179 P212	K177-P210 HydrophobicContact CB-CG 4.15Å; K177-P210 WeakPolarHBondContact O-CG 3.46Å; T179-P210 HydrophobicContact CG2-CB 4.3Å; T179-P210 HydrophobicContact CG2-CG 4.2Å; P210-P212 WeakPolarHBondContact O-CD 3.41Å
211	E	95.9	Very high	88.5	Confident	82 Å²	82	67.9 Å²	67.9	38%	0.383	36%	0.358	S	S	.	.	P	Polyproline II helix	trans	-77	119.6	169.3	-66.1	-173.3	-135.2	0	0	109.9	R199 H213	R199-E211 WeakPolarHBondContact CD-OE1 3.32Å; R199-E211 HydrophobicContact CG-CG 4.08Å; R199-E211 VanDerWaalsContact CG-OE1 3.23Å; R199-E211 WeakPolarHBondContact CG-OE1 3.37Å; R199-E211 IonicContact CZ-OE2 3.79Å; R199-E211 IonicContact NH1-OE2 2.57Å; R199-E211 PolarHBondContact NH1-OE2 2.94Å; E211-H213 PolarHBondContact O-CE1 3.42Å; E211-H213 VanDerWaalsContact O-CE1 3.27Å; E211-H213 PolarHBondContact O-ND1 2.94Å; E211-H213 VanDerWaalsContact O-ND1 3.16Å
212	P	95.3	Very high	88	Confident	0 Å²	0	68 Å²	68	0%	0	36%	0.358	C	S	.	.	P	Polyproline II helix	trans	-74.9	138.6	-178.2	29.9	-35.4	0	0	0	111.5	I173 L174 V181 L191 A194 Q195 P210	I173-P212 HydrophobicContact CG2-CB 3.73Å; I173-P212 HydrophobicContact CG2-CG 3.89Å; L174-P212 HydrophobicContact CD2-CG 4.39Å; V181-P212 HydrophobicContact CG2-CB 3.89Å; L191-P212 HydrophobicContact CD1-CB 4Å; L191-P212 HydrophobicContact CD1-CG 3.86Å; A194-P212 HydrophobicContact CB-CG 4.28Å; Q195-P212 HydrophobicContact CG-CG 4.09Å; Q195-P212 WeakPolarHBondContact CG-O 3.31Å; Q195-P212 PolarHBondContact NE2-O 3.1Å; P210-P212 WeakPolarHBondContact O-CD 3.41Å
213	H	93.9	Very high	87.7	Confident	110 Å²	110	70.1 Å²	70.1	51%	0.509	37%	0.367	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.1	142.1	179.5	-61.5	80.2	0	0	0	111.7	T179 H180 V181 E211 L215	T179-H213 PolarHBondContact O-N 3.03Å; T179-H213 PolarHBondContact O-ND1 3.27Å; H180-H213 CarbonylContact C-O 3.6Å; H180-H213 WeakPolarHBondContact CA-O 3.44Å; V181-H213 PolarHBondContact N-O 3.4Å; E211-H213 PolarHBondContact O-CE1 3.42Å; E211-H213 VanDerWaalsContact O-CE1 3.27Å; E211-H213 PolarHBondContact O-ND1 2.94Å; E211-H213 VanDerWaalsContact O-ND1 3.16Å; H213-L215 PolarHBondContact O-N 3.44Å
214	A	92.4	Very high	87.6	Confident	38 Å²	38	63.2 Å²	63.2	31%	0.314	33%	0.331	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-71.5	127.4	175.7	0	0	0	0	0	110.2	V183 L191 L216	V183-A214 HydrophobicContact CG2-CB 4.12Å; L191-A214 VanDerWaalsContact CD2-CA 3.45Å; L191-A214 HydrophobicContact CD2-CB 3.52Å; L191-A214 VanDerWaalsContact CD2-N 3.33Å; A214-L216 HydrophobicContact CB-CD2 4.14Å; A214-L216 HydrophobicContact CB-CG 4.13Å; A214-L216 PolarHBondContact O-N 3.43Å
215	L	89.8	Confident	87.6	Confident	38 Å²	38	57.7 Å²	57.7	20%	0.199	31%	0.306	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.4	88.2	162.3	-69.7	-179.8	0	0	0	108.6	V43 L68 Y72 H180 V181 P182 H213 S217	V43-L215 HydrophobicContact CG2-CD1 4.41Å; L68-L215 HydrophobicContact CD1-CD1 4.43Å; L68-L215 HydrophobicContact CD2-CD1 3.92Å; Y72-L215 HydrophobicContact CE2-CD1 4.28Å; H180-L215 HydrophobicContact CB-CD1 3.75Å; H180-L215 HydrophobicContact CB-CG 3.95Å; V181-L215 PolarHBondContact O-N 3.44Å; P182-L215 WeakPolarHBondContact CA-O 3.01Å; P182-L215 HydrophobicContact CB-CB 4.15Å; H213-L215 PolarHBondContact O-N 3.44Å; L215-S217 PolarHBondContact O-N 2.91Å
216	L	81.8	Confident	87.5	Confident	108 Å²	108	58.7 Å²	58.7	57%	0.565	31%	0.309	S	S	*	.			trans	-76	101.4	174.1	-59.9	179.5	0	0	0	108.7	V183 V188 A214	V183-L216 HydrophobicContact CG2-CD2 4.46Å; V188-L216 HydrophobicContact CG2-CD2 4.07Å; A214-L216 HydrophobicContact CB-CD2 4.14Å; A214-L216 HydrophobicContact CB-CG 4.13Å; A214-L216 PolarHBondContact O-N 3.43Å
217	S	66.6	Low	87.3	Confident	38 Å²	38	60 Å²	60	27%	0.266	31%	0.307	S	S	.	.			trans	-76.4	143.7	166.9	48.1	0	0	0	0	109.7	L215 T219	L215-S217 PolarHBondContact O-N 2.91Å; S217-T219 PolarHBondContact O-N 3.03Å; S217-T219 WeakPolarHBondContact OG-CG2 2.86Å
218	S	59.1	Low	87	Confident	124 Å²	124	53.3 Å²	53.3	87%	0.867	28%	0.277	S	S	*	.			trans	-67.9	66.3	163.6	51.5	0	0	0	0	109.6	R220	S218-R220 PolarHBondContact O-N 3.38Å
219	T	60.7	Low	86.6	Confident	50 Å²	50	57.4 Å²	57.4	31%	0.307	31%	0.307	S	S	.	.			trans	-60.1	125	-176.4	57.7	0	0	0	0	108.4	G60 S217 K221	G60-T219 WeakPolarHBondContact O-CB 3.26Å; G60-T219 WeakPolarHBondContact O-CG2 3.31Å; S217-T219 PolarHBondContact O-N 3.03Å; S217-T219 WeakPolarHBondContact OG-CG2 2.86Å; T219-K221 PolarHBondContact O-N 3.16Å
220	R	70.1	Confident	86.2	Confident	103 Å²	103	59 Å²	59	39%	0.389	32%	0.319	S	S	.	.			trans	-64.9	106.6	172.6	-62.5	-176.2	-169.8	-153.6	6	107.1	S218 V222 T282 A285	S218-R220 PolarHBondContact O-N 3.38Å; R220-V222 VanDerWaalsContact C-N 3.3Å; R220-V222 PolarHBondContact O-N 2.91Å; R220-T282 HydrophobicContact CB-CG2 4.22Å; R220-A285 PolarHBondContact NH1-O 3.47Å
221	K	79.5	Confident	85.9	Confident	122 Å²	122	63.3 Å²	63.3	53%	0.53	33%	0.333	S	S	.	.			trans	-73	85.5	-179.4	-70.4	-178.1	-179	175.3	0	109	E185 T219 K223	E185-K221 IonicContact OE1-NZ 3.78Å; E185-K221 IonicContact OE2-NZ 2.75Å; E185-K221 PolarHBondContact OE2-NZ 2.67Å; T219-K221 PolarHBondContact O-N 3.16Å; K221-K223 PolarHBondContact O-N 3.36Å
222	V	88.9	Confident	85.5	Confident	3 Å²	3	59.6 Å²	59.6	2%	0.018	32%	0.316	C	S	.	.	P	Polyproline II helix	trans	-67.8	122.9	174.5	-176.4	0	0	0	0	109.2	L59 R220 M232 I283	L59-V222 HydrophobicContact CB-CG2 4.23Å; L59-V222 HydrophobicContact CD1-CG2 3.95Å; R220-V222 VanDerWaalsContact C-N 3.3Å; R220-V222 PolarHBondContact O-N 2.91Å; V222-M232 HydrophobicContact CG1-CE 3.84Å; V222-M232 HydrophobicContact CG1-SD 4.44Å; V222-M232 PolarHBondContact O-N 2.84Å; V222-M232 VanDerWaalsContact O-N 3.07Å; V222-I283 HydrophobicContact CG1-CD1 3.92Å; V222-I283 HydrophobicContact CG1-CG1 3.84Å
223	K	92.4	Very high	85	Confident	56 Å²	56	61.6 Å²	61.6	24%	0.243	33%	0.33	C	S	.	.	B	Isolated β-bridge	trans	-90.4	162.8	-177.9	-48.2	-162.9	-169.6	-177.1	0	111.5	K221 P228 S230 N279	K221-K223 PolarHBondContact O-N 3.36Å; K223-P228 WeakPolarHBondContact CD-O 3.22Å; K223-P228 PolarHBondContact NZ-O 3.39Å; K223-P228 VanDerWaalsContact NZ-O 3.1Å; K223-S230 CarbonylContact C-O 3.56Å; K223-S230 VanDerWaalsContact CA-O 3.32Å; K223-S230 WeakPolarHBondContact CA-O 3.3Å; K223-S230 WeakPolarHBondContact CB-O 3.15Å; K223-N279 HydrophobicContact CB-CB 4.32Å; K223-N279 PolarHBondContact N-OD1 3.05Å; K223-N279 PolarHBondContact O-ND2 2.89Å
224	S	95.3	Very high	84.1	Confident	0 Å²	0	59.7 Å²	59.7	0%	0	32%	0.32	C	S	.	.	P	Polyproline II helix	trans	-59	140.6	172.7	162.9	0	0	0	0	110.5	R226 D227 S230 A241	S224-R226 PolarHBondContact O-N 2.8Å; S224-R226 PolarHBondContact OG-N 2.95Å; S224-R226 VanDerWaalsContact OG-N 3.17Å; S224-D227 VanDerWaalsContact CB-O 3.32Å; S224-D227 WeakPolarHBondContact CB-O 3.49Å; S224-D227 CarbonylContact O-C 3.41Å; S224-D227 PolarHBondContact OG-N 3.25Å; S224-S230 PolarHBondContact N-O 3.26Å; S224-A241 VanDerWaalsContact OG-CB 3.32Å; S224-A241 WeakPolarHBondContact OG-CB 3.23Å
225	L	96.1	Very high	83.1	Confident	3 Å²	3	63 Å²	63	2%	0.016	34%	0.341	C	S	.	.	S	Bend	trans	-71.8	-19.5	176.3	-63.6	-177.7	0	0	0	112.3	M232 A241 I243 K255 I256 A259 V260 L280 I283	L225-M232 HydrophobicContact CG-CE 4.34Å; L225-A241 PolarHBondContact N-O 2.95Å; L225-I243 HydrophobicContact CD1-CD1 3.83Å; L225-I243 HydrophobicContact CD1-CG1 3.81Å; L225-K255 HydrophobicContact CD1-CB 4.05Å; L225-I256 HydrophobicContact CD1-CG1 4.46Å; L225-A259 HydrophobicContact CB-CB 4.01Å; L225-A259 HydrophobicContact CD2-CB 4.07Å; L225-A259 HydrophobicContact CG-CB 4.48Å; L225-A259 CarbonylContact O-C 3.58Å; L225-A259 VanDerWaalsContact O-CA 3.24Å; L225-A259 WeakPolarHBondContact O-CA 3.08Å; L225-V260 PolarHBondContact O-N 2.55Å; L225-L280 HydrophobicContact CD2-CD2 4.39Å; L225-I283 HydrophobicContact CD2-CD1 4.08Å
226	R	95.5	Very high	82.5	Confident	98 Å²	98	63.4 Å²	63.4	37%	0.37	34%	0.343	S	S	.	.	S	Bend	trans	-103.5	-29.7	-177.8	-63.6	-59.4	-59.8	151.2	6.8	112.5	S224 M240 A241 R258 V260	S224-R226 PolarHBondContact O-N 2.8Å; S224-R226 PolarHBondContact OG-N 2.95Å; S224-R226 VanDerWaalsContact OG-N 3.17Å; R226-M240 HydrophobicContact CG-CB 4.07Å; R226-A241 HydrophobicContact CB-CB 4.2Å; R226-A241 HydrophobicContact CG-CB 4.16Å; R226-R258 PolarHBondContact NH1-O 3.4Å; R226-V260 VanDerWaalsContact O-CG2 3.31Å; R226-V260 WeakPolarHBondContact O-CG2 3.1Å
227	D	93	Very high	82.4	Confident	65 Å²	65	63.7 Å²	63.7	35%	0.348	35%	0.354	S	S	.	.			trans	-129.7	92.8	174.1	172.3	20.6	0	0	0	110.5	S224 S229 S230	S224-D227 VanDerWaalsContact CB-O 3.32Å; S224-D227 WeakPolarHBondContact CB-O 3.49Å; S224-D227 CarbonylContact O-C 3.41Å; S224-D227 PolarHBondContact OG-N 3.25Å; D227-S229 VanDerWaalsContact CG-OG 3.28Å; D227-S229 PolarHBondContact O-N 2.85Å; D227-S229 WeakPolarHBondContact OD1-CB 3.23Å; D227-S229 PolarHBondContact OD1-N 3.34Å; D227-S229 PolarHBondContact OD1-OG 3.36Å; D227-S229 PolarHBondContact OD2-OG 3.36Å; D227-S230 VanDerWaalsContact CG-OG 3.23Å; D227-S230 PolarHBondContact O-N 3.03Å; D227-S230 VanDerWaalsContact O-N 3.12Å; D227-S230 PolarHBondContact O-OG 2.93Å; D227-S230 VanDerWaalsContact OD2-CB 3.27Å; D227-S230 WeakPolarHBondContact OD2-CB 3.39Å; D227-S230 PolarHBondContact OD2-OG 3.32Å
228	P	91.4	Very high	83.3	Confident	15 Å²	15	66.3 Å²	66.3	10%	0.097	36%	0.362	C	S	.	.	T	Hydrogen-bonded Turn	trans	-67.9	3.6	179.3	-21.4	34.7	0	0	0	115.1	K223 V260 P275	K223-P228 WeakPolarHBondContact CD-O 3.22Å; K223-P228 PolarHBondContact NZ-O 3.39Å; K223-P228 VanDerWaalsContact NZ-O 3.1Å; P228-V260 HydrophobicContact CG-CB 4.3Å; P228-V260 HydrophobicContact CG-CG1 4.42Å; P228-P275 HydrophobicContact CB-CB 3.8Å; P228-P275 HydrophobicContact CB-CG 4.1Å
229	S	88.2	Confident	84.7	Confident	102 Å²	102	65 Å²	65	71%	0.713	35%	0.351	S	S	*	.	T	Hydrogen-bonded Turn	trans	-88.3	-25.5	170.8	77.1	0	0	0	0	112.2	D227	D227-S229 VanDerWaalsContact CG-OG 3.28Å; D227-S229 PolarHBondContact O-N 2.85Å; D227-S229 WeakPolarHBondContact OD1-CB 3.23Å; D227-S229 PolarHBondContact OD1-N 3.34Å; D227-S229 PolarHBondContact OD1-OG 3.36Å; D227-S229 PolarHBondContact OD2-OG 3.36Å
230	S	88.8	Confident	86.2	Confident	38 Å²	38	65.2 Å²	65.2	27%	0.266	35%	0.349	S	S	.	.	S	Bend	trans	-104.4	153.1	-176.7	58	0	0	0	0	112.8	K223 S224 D227	K223-S230 CarbonylContact C-O 3.56Å; K223-S230 VanDerWaalsContact CA-O 3.32Å; K223-S230 WeakPolarHBondContact CA-O 3.3Å; K223-S230 WeakPolarHBondContact CB-O 3.15Å; S224-S230 PolarHBondContact N-O 3.26Å; D227-S230 VanDerWaalsContact CG-OG 3.23Å; D227-S230 PolarHBondContact O-N 3.03Å; D227-S230 VanDerWaalsContact O-N 3.12Å; D227-S230 PolarHBondContact O-OG 2.93Å; D227-S230 VanDerWaalsContact OD2-CB 3.27Å; D227-S230 WeakPolarHBondContact OD2-CB 3.39Å; D227-S230 PolarHBondContact OD2-OG 3.32Å
231	K	88.6	Confident	87.3	Confident	137 Å²	137	60.3 Å²	60.3	60%	0.596	33%	0.331	S	S	*	.	B	Isolated β-bridge	trans	-68.7	143.7	173.1	-174.4	-178.2	174.8	179.6	0	109.3	S233	K231-S233 PolarHBondContact O-N 2.75Å
232	M	88.5	Confident	88	Confident	3 Å²	3	55.6 Å²	55.6	2%	0.015	31%	0.312	C	S	.	.			trans	-56	126.1	169.7	-172.2	177.4	-73.3	0	0	109.7	H54 L55 V222 L225 T242	H54-M232 HydrophobicContact CB-SD 4.03Å; H54-M232 PolarHBondContact CE1-O 3.23Å; H54-M232 VanDerWaalsContact CE1-O 3.32Å; H54-M232 PolarHBondContact NE2-O 3.06Å; L55-M232 HydrophobicContact CB-SD 4.32Å; V222-M232 HydrophobicContact CG1-CE 3.84Å; V222-M232 HydrophobicContact CG1-SD 4.44Å; V222-M232 PolarHBondContact O-N 2.84Å; V222-M232 VanDerWaalsContact O-N 3.07Å; L225-M232 HydrophobicContact CG-CE 4.34Å; M232-T242 HydrophobicContact CG-CG2 3.46Å; M232-T242 VanDerWaalsContact CG-CG2 3.46Å; M232-T242 HydrophobicContact SD-CG2 4.4Å
233	S	84.8	Confident	88.3	Confident	43 Å²	43	55.5 Å²	55.5	30%	0.301	31%	0.311	S	S	.	.			trans	-134	140.1	-175.8	-177.8	0	0	0	0	111.8	K231 S235 D236 T242	K231-S233 PolarHBondContact O-N 2.75Å; S233-S235 PolarHBondContact O-N 3.29Å; S233-S235 PolarHBondContact OG-N 3.1Å; S233-S235 PolarHBondContact OG-OG 3.29Å; S233-D236 WeakPolarHBondContact O-CB 3.38Å; S233-D236 PolarHBondContact O-N 2.92Å; S233-T242 WeakPolarHBondContact O-CG2 3.36Å
234	K	74.8	Confident	88.5	Confident	70 Å²	70	53.9 Å²	53.9	30%	0.304	31%	0.307	S	S	.	.	T	Hydrogen-bonded Turn	trans	-62.5	-27	172.4	-65.1	-173.5	178.4	-170.8	0	113.4	T50 G51 V52 H54 N57 D236	T50-K234 PolarHBondContact O-NZ 3.41Å; T50-K234 WeakPolarHBondContact OG1-CD 3.47Å; T50-K234 PolarHBondContact OG1-NZ 2.74Å; G51-K234 PolarHBondContact O-NZ 3.4Å; V52-K234 VanDerWaalsContact O-CE 3.31Å; V52-K234 WeakPolarHBondContact O-CE 3.34Å; V52-K234 PolarHBondContact O-NZ 3.09Å; H54-K234 VanDerWaalsContact CD2-CG 3.42Å; H54-K234 WeakPolarHBondContact CD2-CG 3.45Å; N57-K234 VanDerWaalsContact OD1-CE 3.3Å; N57-K234 WeakPolarHBondContact OD1-CE 3.4Å; K234-D236 VanDerWaalsContact C-N 3.27Å
235	S	70.8	Confident	88.5	Confident	107 Å²	107	53.9 Å²	53.9	75%	0.748	31%	0.307	S	S	*	.	T	Hydrogen-bonded Turn	trans	-87.8	6.1	-178.6	68.2	0	0	0	0	113.2	S233 S237	S233-S235 PolarHBondContact O-N 3.29Å; S233-S235 PolarHBondContact OG-N 3.1Å; S233-S235 PolarHBondContact OG-OG 3.29Å; S235-S237 PolarHBondContact O-N 3.15Å
236	D	77.8	Confident	88.4	Confident	47 Å²	47	56.1 Å²	56.1	25%	0.251	32%	0.321	S	S	.	.			trans	-64.6	130.8	175.3	-163.3	-40.4	0	0	0	109.1	S233 K234 Q238 A241 T242	S233-D236 WeakPolarHBondContact O-CB 3.38Å; S233-D236 PolarHBondContact O-N 2.92Å; K234-D236 VanDerWaalsContact C-N 3.27Å; D236-Q238 PolarHBondContact O-N 2.62Å; D236-Q238 PolarHBondContact OD1-N 3.02Å; D236-A241 HydrophobicContact CB-CB 4.2Å; D236-A241 VanDerWaalsContact CG-CB 3.48Å; D236-A241 WeakPolarHBondContact OD2-CB 3.19Å; D236-T242 HydrophobicContact CB-CG2 4.43Å
237	S	79.5	Confident	88.5	Confident	114 Å²	114	52.4 Å²	52.4	80%	0.797	31%	0.309	S	S	*	.	S	Bend	trans	-69.6	-15.4	179.6	59.2	0	0	0	0	112.5	S235 P239	S235-S237 PolarHBondContact O-N 3.15Å; S237-P239 WeakPolarHBondContact O-CD 3.4Å
238	Q	86.2	Confident	88.7	Confident	93 Å²	93	51.2 Å²	51.2	44%	0.435	31%	0.305	S	S	.	.			trans	-99.3	108.8	177.4	-59.7	-174.6	26.5	0	0	110.7	D236 M240 A241	D236-Q238 PolarHBondContact O-N 2.62Å; D236-Q238 PolarHBondContact OD1-N 3.02Å; Q238-M240 PolarHBondContact O-N 3.17Å; Q238-A241 HydrophobicContact CB-CB 4.21Å; Q238-A241 WeakPolarHBondContact O-CB 3.42Å; Q238-A241 PolarHBondContact O-N 3.12Å
239	P	87.4	Confident	89	Confident	95 Å²	95	53 Å²	53	62%	0.617	32%	0.317	S	S	*	.	G	3₁₀ helix	trans	-57.8	-25.2	174.6	-25.6	35	0	0	0	113.5	S237 A241 K255	S237-P239 WeakPolarHBondContact O-CD 3.4Å; P239-A241 PolarHBondContact O-N 2.99Å; P239-K255 VanDerWaalsContact O-CE 3.31Å; P239-K255 WeakPolarHBondContact O-CE 3.48Å; P239-K255 PolarHBondContact O-NZ 2.89Å
240	M	92.8	Very high	89.4	Confident	56 Å²	56	54.5 Å²	54.5	28%	0.276	32%	0.317	S	S	.	.	G	3₁₀ helix	trans	-72.1	-13.7	177.5	-66.5	-59.7	-67.9	0	0	114	R226 Q238 L254 K255 R258	R226-M240 HydrophobicContact CG-CB 4.07Å; Q238-M240 PolarHBondContact O-N 3.17Å; M240-L254 HydrophobicContact CE-CG 4.04Å; M240-K255 HydrophobicContact CE-CB 4.4Å; M240-K255 HydrophobicContact CE-CG 4Å; M240-K255 HydrophobicContact SD-CG 3.85Å; M240-R258 HydrophobicContact CE-CB 3.64Å; M240-R258 HydrophobicContact CE-CG 3.77Å
241	A	93.6	Very high	89.9	Confident	0 Å²	0	56.1 Å²	56.1	0%	0	32%	0.322	C	S	.	.	G	3₁₀ helix	trans	-76.5	-23.6	178.5	0	0	0	0	0	113.3	S224 L225 R226 D236 Q238 P239	S224-A241 VanDerWaalsContact OG-CB 3.32Å; S224-A241 WeakPolarHBondContact OG-CB 3.23Å; L225-A241 PolarHBondContact N-O 2.95Å; R226-A241 HydrophobicContact CB-CB 4.2Å; R226-A241 HydrophobicContact CG-CB 4.16Å; D236-A241 HydrophobicContact CB-CB 4.2Å; D236-A241 VanDerWaalsContact CG-CB 3.48Å; D236-A241 WeakPolarHBondContact OD2-CB 3.19Å; Q238-A241 HydrophobicContact CB-CB 4.21Å; Q238-A241 WeakPolarHBondContact O-CB 3.42Å; Q238-A241 PolarHBondContact O-N 3.12Å; P239-A241 PolarHBondContact O-N 2.99Å
242	T	93.9	Very high	90.3	Very high	23 Å²	23	49.6 Å²	49.6	14%	0.141	29%	0.294	C	S	.	.			trans	-127.9	139.5	-168.3	60.6	0	0	0	0	111.7	M232 S233 D236 K255	M232-T242 HydrophobicContact CG-CG2 3.46Å; M232-T242 VanDerWaalsContact CG-CG2 3.46Å; M232-T242 HydrophobicContact SD-CG2 4.4Å; S233-T242 WeakPolarHBondContact O-CG2 3.36Å; D236-T242 HydrophobicContact CB-CG2 4.43Å; T242-K255 VanDerWaalsContact O-CD 3.31Å; T242-K255 WeakPolarHBondContact O-CD 3.4Å; T242-K255 WeakPolarHBondContact O-CE 3.33Å; T242-K255 PolarHBondContact O-NZ 3.35Å
243	I	95.7	Very high	90.8	Very high	0 Å²	0	50.2 Å²	50.2	0%	0	30%	0.3	C	S	.	.			trans	-100.7	114.9	171.7	-63.7	167.4	0	0	0	107.5	H54 L55 L225 D247 I252 K255 I256 V315 L319	H54-I243 CarbonylContact C-O 3.41Å; H54-I243 WeakPolarHBondContact CA-O 3.37Å; H54-I243 VanDerWaalsContact CB-O 3.22Å; H54-I243 WeakPolarHBondContact CB-O 3.36Å; L55-I243 HydrophobicContact CB-CB 4.06Å; L55-I243 HydrophobicContact CB-CG2 4.36Å; L55-I243 HydrophobicContact CD2-CB 4.44Å; L55-I243 HydrophobicContact CD2-CD1 3.92Å; L55-I243 PolarHBondContact N-O 3.45Å; L225-I243 HydrophobicContact CD1-CD1 3.83Å; L225-I243 HydrophobicContact CD1-CG1 3.81Å; I243-D247 WeakPolarHBondContact CA-OD2 3.31Å; I243-I252 HydrophobicContact CG2-CG1 4Å; I243-K255 HydrophobicContact CG1-CB 4.4Å; I243-K255 HydrophobicContact CG1-CD 4.34Å; I243-I256 HydrophobicContact CD1-CD1 3.9Å; I243-I256 HydrophobicContact CD1-CG1 3.76Å; I243-V315 HydrophobicContact CG2-CG1 4.48Å; I243-L319 HydrophobicContact CG2-CD1 4.21Å
244	S	95.2	Very high	91.4	Very high	23 Å²	23	51.4 Å²	51.4	16%	0.161	30%	0.302	C	S	.	.	B	Isolated β-bridge	trans	-72.8	146.8	170.3	-174.9	0	0	0	0	109.7	V52 T246 D247	V52-S244 VanDerWaalsContact CG1-OG 3.26Å; V52-S244 WeakPolarHBondContact CG1-OG 3.4Å; S244-T246 PolarHBondContact O-N 3.02Å; S244-T246 VanDerWaalsContact O-N 3.17Å; S244-T246 PolarHBondContact OG-N 2.86Å; S244-T246 PolarHBondContact OG-OG1 3.44Å; S244-T246 VanDerWaalsContact OG-OG1 3.04Å; S244-D247 VanDerWaalsContact CB-OD1 3.28Å; S244-D247 WeakPolarHBondContact CB-OD1 3.42Å; S244-D247 PolarHBondContact N-OD2 3.17Å; S244-D247 WeakPolarHBondContact O-CB 3.47Å; S244-D247 PolarHBondContact O-N 2.79Å; S244-D247 VanDerWaalsContact O-N 3.12Å
245	I	95.3	Very high	92.5	Very high	0 Å²	0	49 Å²	49	0%	0	29%	0.292	C	S	.	.	T	Hydrogen-bonded Turn	trans	-66.2	-14.9	174	66.5	177.6	0	0	0	112.8	V52 P53 Y58 L319 I322 I326	V52-I245 HydrophobicContact CG1-CD1 4.28Å; V52-I245 HydrophobicContact CG1-CG1 3.58Å; P53-I245 HydrophobicContact CB-CD1 4.2Å; P53-I245 HydrophobicContact CG-CD1 4.14Å; P53-I245 WeakPolarHBondContact O-CG1 3.44Å; P53-I245 PolarHBondContact O-N 2.9Å; P53-I245 VanDerWaalsContact O-N 3.1Å; Y58-I245 HydrophobicContact CG-CG2 4.45Å; I245-L319 HydrophobicContact CB-CD2 4.25Å; I245-L319 HydrophobicContact CG2-CD2 4.1Å; I245-I322 HydrophobicContact CD1-CG2 4.3Å; I245-I326 HydrophobicContact CD1-CD1 3.64Å; I245-I326 HydrophobicContact CG1-CD1 3.89Å
246	T	95.5	Very high	93.8	Very high	50 Å²	50	43.9 Å²	43.9	31%	0.307	26%	0.256	S	S	.	.	T	Hydrogen-bonded Turn	trans	-99.9	1.9	175.8	58.9	0	0	0	0	113.8	V52 S244 I326	V52-T246 HydrophobicContact CG1-CG2 3.61Å; V52-T246 HydrophobicContact CG2-CG2 4.21Å; S244-T246 PolarHBondContact O-N 3.02Å; S244-T246 VanDerWaalsContact O-N 3.17Å; S244-T246 PolarHBondContact OG-N 2.86Å; S244-T246 PolarHBondContact OG-OG1 3.44Å; S244-T246 VanDerWaalsContact OG-OG1 3.04Å; T246-I326 HydrophobicContact CG2-CB 4.49Å; T246-I326 HydrophobicContact CG2-CD1 3.77Å; T246-I326 HydrophobicContact CG2-CG2 3.95Å
247	D	96.6	Very high	94.7	Very high	20 Å²	20	49.1 Å²	49.1	11%	0.107	27%	0.272	C	S	.	.			trans	-58.1	145.5	178.5	-78.4	-17.5	0	0	0	110.8	I243 S244 D251 I252 K255 R323	I243-D247 WeakPolarHBondContact CA-OD2 3.31Å; S244-D247 VanDerWaalsContact CB-OD1 3.28Å; S244-D247 WeakPolarHBondContact CB-OD1 3.42Å; S244-D247 PolarHBondContact N-OD2 3.17Å; S244-D247 WeakPolarHBondContact O-CB 3.47Å; S244-D247 PolarHBondContact O-N 2.79Å; S244-D247 VanDerWaalsContact O-N 3.12Å; D247-D251 HydrophobicContact CB-CB 4.13Å; D247-I252 HydrophobicContact CB-CD1 4.22Å; D247-I252 HydrophobicContact CB-CG1 3.65Å; D247-K255 VanDerWaalsContact CG-NZ 3.34Å; D247-K255 IonicContact OD1-NZ 2.65Å; D247-K255 PolarHBondContact OD1-NZ 3.39Å; D247-K255 IonicContact OD2-NZ 3.64Å; D247-K255 PolarHBondContact OD2-NZ 2.9Å; D247-R323 WeakPolarHBondContact O-CD 3.4Å; D247-R323 PolarHBondContact O-NH1 2.8Å
248	S	97.3	Very high	95.5	Very high	40 Å²	40	51.3 Å²	51.3	28%	0.28	26%	0.263	S	S	.	.			trans	-67.5	158.2	173.9	74.5	0	0	0	0	110.8	D250 D251 I252	S248-D250 PolarHBondContact O-N 3.29Å; S248-D251 WeakPolarHBondContact CB-OD2 3.39Å; S248-D251 PolarHBondContact O-N 3.1Å; S248-D251 WeakPolarHBondContact OG-CB 3.39Å; S248-D251 PolarHBondContact OG-N 3.16Å; S248-D251 VanDerWaalsContact OG-N 3.1Å; S248-D251 PolarHBondContact OG-OD2 3.45Å; S248-I252 WeakPolarHBondContact O-CG1 3.45Å; S248-I252 PolarHBondContact O-N 3.27Å
249	P	97.9	Very high	96	Very high	53 Å²	53	47.1 Å²	47.1	34%	0.344	25%	0.245	S	C	.	.	H	α-helix	trans	-52.3	-39.9	173.4	-27.9	36.7	0	0	0	113.1	I252 A253 I316	P249-I252 PolarHBondContact O-N 2.77Å; P249-A253 WeakPolarHBondContact O-CB 3.3Å; P249-A253 PolarHBondContact O-N 3.09Å; P249-I316 HydrophobicContact CB-CD1 4.05Å; P249-I316 HydrophobicContact CB-CG1 4.31Å; P249-I316 HydrophobicContact CB-CG2 3.97Å; P249-I316 HydrophobicContact CG-CG2 4.18Å; P249-I316 WeakPolarHBondContact O-CD1 3.3Å
250	D	97.8	Very high	96.4	Very high	132 Å²	132	45.1 Å²	45.1	71%	0.706	23%	0.231	S	C	*	.	H	α-helix	trans	-68.4	-41	179.6	-68.3	-31.1	0	0	0	112.2	S248 A253 L254	S248-D250 PolarHBondContact O-N 3.29Å; D250-A253 PolarHBondContact O-N 2.69Å; D250-L254 VanDerWaalsContact O-CB 3.26Å; D250-L254 WeakPolarHBondContact O-CB 3.43Å; D250-L254 PolarHBondContact O-N 3.5Å
251	D	97.6	Very high	96.6	Very high	72 Å²	72	44.4 Å²	44.4	39%	0.385	23%	0.229	S	C	.	.	H	α-helix	trans	-64.9	-44.2	176.2	-66.9	-45.1	0	0	0	111.4	D247 S248 L254 K255	D247-D251 HydrophobicContact CB-CB 4.13Å; S248-D251 WeakPolarHBondContact CB-OD2 3.39Å; S248-D251 PolarHBondContact O-N 3.1Å; S248-D251 WeakPolarHBondContact OG-CB 3.39Å; S248-D251 PolarHBondContact OG-N 3.16Å; S248-D251 VanDerWaalsContact OG-N 3.1Å; S248-D251 PolarHBondContact OG-OD2 3.45Å; D251-L254 PolarHBondContact O-N 3.37Å; D251-K255 WeakPolarHBondContact O-CB 3.39Å; D251-K255 WeakPolarHBondContact O-CG 3.3Å; D251-K255 PolarHBondContact O-N 3Å
252	I	97.9	Very high	96.6	Very high	0 Å²	0	46.6 Å²	46.6	0%	0	24%	0.241	C	C	.	.	H	α-helix	trans	-59.1	-50.2	176.5	-66.5	167.4	0	0	0	109.8	I243 D247 S248 P249 L254 K255 I256 V315 I316 L319	I243-I252 HydrophobicContact CG2-CG1 4Å; D247-I252 HydrophobicContact CB-CD1 4.22Å; D247-I252 HydrophobicContact CB-CG1 3.65Å; S248-I252 WeakPolarHBondContact O-CG1 3.45Å; S248-I252 PolarHBondContact O-N 3.27Å; P249-I252 PolarHBondContact O-N 2.77Å; I252-L254 VanDerWaalsContact C-N 3.32Å; I252-L254 PolarHBondContact O-N 2.74Å; I252-K255 PolarHBondContact O-N 3.36Å; I252-I256 HydrophobicContact CG2-CD1 3.69Å; I252-I256 WeakPolarHBondContact O-CG1 3.46Å; I252-I256 PolarHBondContact O-N 3.46Å; I252-V315 HydrophobicContact CD1-CG1 4.49Å; I252-V315 HydrophobicContact CG2-CB 4.1Å; I252-V315 HydrophobicContact CG2-CG1 3.74Å; I252-I316 HydrophobicContact CB-CG1 3.97Å; I252-I316 HydrophobicContact CD1-CG1 4.06Å; I252-I316 HydrophobicContact CG2-CD1 4.44Å; I252-I316 HydrophobicContact CG2-CG1 3.78Å; I252-L319 HydrophobicContact CD1-CD1 4.06Å
253	A	97.8	Very high	96.5	Very high	17 Å²	17	55.8 Å²	55.8	14%	0.14	28%	0.279	C	S	.	.	H	α-helix	trans	-61.1	-41.1	179.2	0	0	0	0	0	111.8	P249 D250 R257	P249-A253 WeakPolarHBondContact O-CB 3.3Å; P249-A253 PolarHBondContact O-N 3.09Å; D250-A253 PolarHBondContact O-N 2.69Å; A253-R257 WeakPolarHBondContact O-CB 3.2Å; A253-R257 PolarHBondContact O-N 3.19Å
254	L	97.8	Very high	96.4	Very high	67 Å²	67	59.3 Å²	59.3	35%	0.351	30%	0.301	S	S	.	.	H	α-helix	trans	-65	-46.1	177.2	-179.2	62.1	0	0	0	111.8	M240 D250 D251 I252 R257 R258	M240-L254 HydrophobicContact CE-CG 4.04Å; D250-L254 VanDerWaalsContact O-CB 3.26Å; D250-L254 WeakPolarHBondContact O-CB 3.43Å; D250-L254 PolarHBondContact O-N 3.5Å; D251-L254 PolarHBondContact O-N 3.37Å; I252-L254 VanDerWaalsContact C-N 3.32Å; I252-L254 PolarHBondContact O-N 2.74Å; L254-R257 PolarHBondContact O-N 3.21Å; L254-R258 HydrophobicContact CD1-CG 4.3Å; L254-R258 WeakPolarHBondContact O-CB 3.41Å; L254-R258 VanDerWaalsContact O-CG 3.32Å; L254-R258 WeakPolarHBondContact O-CG 3.42Å; L254-R258 PolarHBondContact O-N 3.09Å
255	K	98.1	Very high	96.3	Very high	20 Å²	20	62 Å²	62	9%	0.087	32%	0.32	C	S	.	.	H	α-helix	trans	-61.7	-47.5	179.5	-73.7	174	177.2	-170.6	0	111.9	L225 P239 M240 T242 I243 D247 D251 I252 R258 A259	L225-K255 HydrophobicContact CD1-CB 4.05Å; P239-K255 VanDerWaalsContact O-CE 3.31Å; P239-K255 WeakPolarHBondContact O-CE 3.48Å; P239-K255 PolarHBondContact O-NZ 2.89Å; M240-K255 HydrophobicContact CE-CB 4.4Å; M240-K255 HydrophobicContact CE-CG 4Å; M240-K255 HydrophobicContact SD-CG 3.85Å; T242-K255 VanDerWaalsContact O-CD 3.31Å; T242-K255 WeakPolarHBondContact O-CD 3.4Å; T242-K255 WeakPolarHBondContact O-CE 3.33Å; T242-K255 PolarHBondContact O-NZ 3.35Å; I243-K255 HydrophobicContact CG1-CB 4.4Å; I243-K255 HydrophobicContact CG1-CD 4.34Å; D247-K255 VanDerWaalsContact CG-NZ 3.34Å; D247-K255 IonicContact OD1-NZ 2.65Å; D247-K255 PolarHBondContact OD1-NZ 3.39Å; D247-K255 IonicContact OD2-NZ 3.64Å; D247-K255 PolarHBondContact OD2-NZ 2.9Å; D251-K255 WeakPolarHBondContact O-CB 3.39Å; D251-K255 WeakPolarHBondContact O-CG 3.3Å; D251-K255 PolarHBondContact O-N 3Å; I252-K255 PolarHBondContact O-N 3.36Å; K255-R258 CarbonylContact O-C 3.56Å; K255-R258 PolarHBondContact O-N 3.36Å; K255-A259 PolarHBondContact O-N 3.01Å; K255-A259 VanDerWaalsContact O-N 3.08Å
256	I	97.8	Very high	96.3	Very high	0 Å²	0	68.2 Å²	68.2	0%	0	35%	0.349	C	S	.	.	H	α-helix	trans	-68.5	-40.5	178.8	-67.8	168.1	0	0	0	111.3	L225 I243 I252 R258 A259 L280 K308 V311 S312 V315	L225-I256 HydrophobicContact CD1-CG1 4.46Å; I243-I256 HydrophobicContact CD1-CD1 3.9Å; I243-I256 HydrophobicContact CD1-CG1 3.76Å; I252-I256 HydrophobicContact CG2-CD1 3.69Å; I252-I256 WeakPolarHBondContact O-CG1 3.46Å; I252-I256 PolarHBondContact O-N 3.46Å; I256-R258 PolarHBondContact O-N 2.69Å; I256-A259 WeakPolarHBondContact O-CB 3.06Å; I256-A259 PolarHBondContact O-N 3.07Å; I256-L280 HydrophobicContact CG2-CD2 4.19Å; I256-K308 HydrophobicContact CG2-CB 4Å; I256-K308 HydrophobicContact CG2-CG 4.19Å; I256-K308 VanDerWaalsContact CG2-O 3.29Å; I256-K308 WeakPolarHBondContact CG2-O 3.34Å; I256-K308 WeakPolarHBondContact O-CD 3.42Å; I256-V311 HydrophobicContact CD1-CG1 4.38Å; I256-V311 HydrophobicContact CG2-CB 4.39Å; I256-S312 WeakPolarHBondContact CB-OG 3.46Å; I256-S312 WeakPolarHBondContact CG2-OG 3.41Å; I256-V315 HydrophobicContact CD1-CB 4.22Å; I256-V315 HydrophobicContact CD1-CG2 4.06Å
257	R	96.9	Very high	96.3	Very high	156 Å²	156	66.2 Å²	66.2	59%	0.589	34%	0.337	S	S	*	.	H	α-helix	trans	-56.6	-40.4	174.5	-172.4	-173.9	-54.7	138.9	6.2	111.6	A253 L254 A259 K308	A253-R257 WeakPolarHBondContact O-CB 3.2Å; A253-R257 PolarHBondContact O-N 3.19Å; L254-R257 PolarHBondContact O-N 3.21Å; R257-A259 VanDerWaalsContact C-N 3.34Å; R257-K308 PolarHBondContact O-NZ 3.46Å
258	R	96.6	Very high	96.2	Very high	161 Å²	161	67.3 Å²	67.3	61%	0.608	34%	0.344	S	S	*	.	T	Hydrogen-bonded Turn	trans	-85.6	2.5	178.7	-66.2	-68.2	-171.2	179.3	1.3	114.2	R226 M240 L254 K255 I256	R226-R258 PolarHBondContact NH1-O 3.4Å; M240-R258 HydrophobicContact CE-CB 3.64Å; M240-R258 HydrophobicContact CE-CG 3.77Å; L254-R258 HydrophobicContact CD1-CG 4.3Å; L254-R258 WeakPolarHBondContact O-CB 3.41Å; L254-R258 VanDerWaalsContact O-CG 3.32Å; L254-R258 WeakPolarHBondContact O-CG 3.42Å; L254-R258 PolarHBondContact O-N 3.09Å; K255-R258 CarbonylContact O-C 3.56Å; K255-R258 PolarHBondContact O-N 3.36Å; I256-R258 PolarHBondContact O-N 2.69Å
259	A	97	Very high	96.1	Very high	5 Å²	5	69.3 Å²	69.3	4%	0.041	35%	0.348	C	S	.	.			trans	-61.6	139.8	176.7	0	0	0	0	0	111	L225 K255 I256 R257 T261 L280 K308	L225-A259 HydrophobicContact CB-CB 4.01Å; L225-A259 HydrophobicContact CD2-CB 4.07Å; L225-A259 HydrophobicContact CG-CB 4.48Å; L225-A259 CarbonylContact O-C 3.58Å; L225-A259 VanDerWaalsContact O-CA 3.24Å; L225-A259 WeakPolarHBondContact O-CA 3.08Å; K255-A259 PolarHBondContact O-N 3.01Å; K255-A259 VanDerWaalsContact O-N 3.08Å; I256-A259 WeakPolarHBondContact O-CB 3.06Å; I256-A259 PolarHBondContact O-N 3.07Å; R257-A259 VanDerWaalsContact C-N 3.34Å; A259-T261 PolarHBondContact O-N 3.26Å; A259-L280 HydrophobicContact CB-CD2 4.25Å; A259-K308 WeakPolarHBondContact O-CE 3.44Å; A259-K308 PolarHBondContact O-NZ 3.06Å
260	V	96.1	Very high	96	Very high	53 Å²	53	69.9 Å²	69.9	32%	0.321	35%	0.348	S	S	.	.			trans	-70.7	128.4	179.4	174	0	0	0	0	109.7	L225 R226 P228 G276	L225-V260 PolarHBondContact O-N 2.55Å; R226-V260 VanDerWaalsContact O-CG2 3.31Å; R226-V260 WeakPolarHBondContact O-CG2 3.1Å; P228-V260 HydrophobicContact CG-CB 4.3Å; P228-V260 HydrophobicContact CG-CG1 4.42Å; V260-G276 WeakPolarHBondContact O-CA 3.36Å
261	T	95.4	Very high	95.8	Very high	40 Å²	40	66.2 Å²	66.2	25%	0.245	33%	0.331	C	S	.	.			trans	-134.3	169.2	173.4	51.5	0	0	0	0	108.7	A259 V277 L280 K308	A259-T261 PolarHBondContact O-N 3.26Å; T261-V277 HydrophobicContact CG2-CG2 3.8Å; T261-L280 HydrophobicContact CG2-CD1 3.86Å; T261-K308 VanDerWaalsContact CG2-CE 3.47Å; T261-K308 PolarHBondContact OG1-NZ 3.07Å
262	D	93.8	Very high	95.5	Very high	46 Å²	46	71 Å²	71	25%	0.246	35%	0.351	C	S	.	.			trans	-80.4	-177.1	169.5	55.6	58.3	0	0	0	112	T264 R274	D262-T264 VanDerWaalsContact C-N 3.35Å; D262-T264 WeakPolarHBondContact OD1-CB 3.32Å; D262-T264 PolarHBondContact OD1-N 3.24Å; D262-R274 IonicContact OD1-CZ 3.39Å; D262-R274 IonicContact OD1-NE 3.48Å; D262-R274 PolarHBondContact OD1-NE 3.33Å; D262-R274 IonicContact OD1-NH2 3.55Å; D262-R274 PolarHBondContact OD1-NH2 2.88Å; D262-R274 WeakPolarHBondContact OD2-CB 2.98Å; D262-R274 WeakPolarHBondContact OD2-CG 3.16Å; D262-R274 IonicContact OD2-CZ 2.73Å; D262-R274 IonicContact OD2-NE 3.79Å; D262-R274 PolarHBondContact OD2-NE 2.96Å; D262-R274 IonicContact OD2-NH2 3.73Å; D262-R274 PolarHBondContact OD2-NH2 2.92Å
263	F	93.3	Very high	95.3	Very high	216 Å²	216	74.5 Å²	74.5	95%	0.947	38%	0.38	S	S	*	.	S	Bend	trans	-87.9	1	-178.8	-59.8	-76	0	0	0	113.8
264	T	93.5	Very high	95.2	Very high	75 Å²	75	74.7 Å²	74.7	46%	0.46	38%	0.377	S	S	.	.			trans	-85.4	120.3	-179.5	-60.2	0	0	0	0	109.4	D262 E266 R274 T304	D262-T264 VanDerWaalsContact C-N 3.35Å; D262-T264 WeakPolarHBondContact OD1-CB 3.32Å; D262-T264 PolarHBondContact OD1-N 3.24Å; T264-E266 HydrophobicContact CG2-CB 4.47Å; T264-E266 PolarHBondContact O-N 3.12Å; T264-R274 PolarHBondContact O-NH2 2.85Å; T264-T304 WeakPolarHBondContact O-CG2 3.27Å
265	S	93.1	Very high	95.1	Very high	80 Å²	80	73.5 Å²	73.5	56%	0.559	37%	0.374	S	S	*	.			trans	-65.8	-34.4	-175.2	-56.8	0	0	0	0	113.8	D303 T304	S265-D303 CarbonylContact O-C 3.49Å; S265-D303 VanDerWaalsContact O-CA 3.25Å; S265-D303 WeakPolarHBondContact O-CA 3.41Å; S265-T304 PolarHBondContact O-N 3.44Å
266	E	94.2	Very high	95	Very high	130 Å²	130	72.9 Å²	72.9	61%	0.607	37%	0.373	S	S	*	.	B	Isolated β-bridge	trans	-68.2	144.4	-179.2	-173.2	178.5	-168.6	0	0	111.8	T264 T268 R274	T264-E266 HydrophobicContact CG2-CB 4.47Å; T264-E266 PolarHBondContact O-N 3.12Å; E266-T268 HydrophobicContact CG-CG2 4.01Å; E266-R274 VanDerWaalsContact O-CZ 3.26Å; E266-R274 PolarHBondContact O-NH1 3.15Å; E266-R274 PolarHBondContact O-NH2 2.78Å
267	V	95.9	Very high	95	Very high	7 Å²	7	73 Å²	73	4%	0.042	37%	0.373	C	S	.	.			trans	-92.1	109	174.3	-179	0	0	0	0	109.9	V277 V281 A299 T304 Y307	V267-V277 HydrophobicContact CG1-CG1 4.07Å; V267-V281 HydrophobicContact CG1-CG2 3.81Å; V267-A299 HydrophobicContact CB-CB 3.69Å; V267-A299 HydrophobicContact CG1-CB 3.66Å; V267-A299 HydrophobicContact CG2-CB 4.1Å; V267-T304 HydrophobicContact CG2-CG2 4.4Å; V267-Y307 HydrophobicContact CG1-CD1 3.85Å; V267-Y307 HydrophobicContact CG1-CD2 4.44Å; V267-Y307 HydrophobicContact CG1-CE1 3.79Å; V267-Y307 HydrophobicContact CG1-CE2 4.4Å; V267-Y307 HydrophobicContact CG1-CG 4.18Å; V267-Y307 HydrophobicContact CG2-CD1 3.9Å; V267-Y307 HydrophobicContact CG2-CD2 4.34Å; V267-Y307 HydrophobicContact CG2-CG 3.71Å
268	T	94.9	Very high	95	Very high	44 Å²	44	65.7 Å²	65.7	27%	0.27	35%	0.346	S	S	.	.			trans	-125.9	159.6	172.9	65.8	0	0	0	0	110.7	E266 R274	E266-T268 HydrophobicContact CG-CG2 4.01Å; T268-R274 WeakPolarHBondContact OG1-CD 3.33Å; T268-R274 PolarHBondContact OG1-NH1 3.33Å
269	F	95.8	Very high	95	Very high	82 Å²	82	58.3 Å²	58.3	36%	0.36	32%	0.319	S	S	.	.			trans	-102.3	103.8	175.8	-171.9	-101	0	0	0	110.4	P271 V281 V292 V296	F269-P271 HydrophobicContact CD1-CG 4.15Å; F269-P271 HydrophobicContact CE1-CG 3.49Å; F269-P271 VanDerWaalsContact CE1-CG 3.49Å; F269-P271 HydrophobicContact CE2-CG 4.13Å; F269-P271 HydrophobicContact CZ-CG 3.48Å; F269-P271 VanDerWaalsContact CZ-CG 3.48Å; F269-V281 HydrophobicContact CD2-CB 3.94Å; F269-V281 HydrophobicContact CD2-CG1 3.76Å; F269-V281 HydrophobicContact CE2-CG1 4.45Å; F269-V292 HydrophobicContact CB-CG1 3.84Å; F269-V292 HydrophobicContact CD1-CG1 3.61Å; F269-V292 HydrophobicContact CD2-CG1 3.6Å; F269-V292 HydrophobicContact CE1-CG1 3.98Å; F269-V292 HydrophobicContact CE2-CG1 3.98Å; F269-V292 HydrophobicContact CE2-CG2 4.49Å; F269-V292 HydrophobicContact CG-CG1 3.38Å; F269-V292 HydrophobicContact CZ-CG1 4.14Å; F269-V292 HydrophobicContact CZ-CG2 4.41Å; F269-V296 HydrophobicContact CB-CG2 3.92Å
270	D	95.1	Very high	95	Very high	65 Å²	65	58.2 Å²	58.2	35%	0.348	32%	0.318	S	S	.	.			trans	-141.8	93.9	172.4	-175.9	-22.5	0	0	0	108.9	Q272 A273 R274 S278	D270-Q272 PolarHBondContact O-N 3.49Å; D270-Q272 VanDerWaalsContact O-N 3.16Å; D270-Q272 PolarHBondContact OD1-N 3.11Å; D270-A273 HydrophobicContact CB-CB 4.49Å; D270-A273 PolarHBondContact OD1-N 2.65Å; D270-A273 VanDerWaalsContact OD2-CB 3.23Å; D270-A273 WeakPolarHBondContact OD2-CB 3.42Å; D270-R274 HydrophobicContact CB-CB 4.31Å; D270-R274 HydrophobicContact CB-CG 4.36Å; D270-R274 CarbonylContact O-C 3.51Å; D270-R274 WeakPolarHBondContact O-CA 3.19Å; D270-R274 WeakPolarHBondContact O-CB 3.32Å; D270-R274 PolarHBondContact O-N 3.3Å; D270-S278 PolarHBondContact N-OG 3.45Å; D270-S278 PolarHBondContact O-OG 3.32Å
271	P	92.9	Very high	95	Very high	54 Å²	54	55.7 Å²	55.7	35%	0.351	30%	0.302	S	S	.	.	T	Hydrogen-bonded Turn	trans	-63.6	-17.9	-176.5	-26.5	36.2	0	0	0	115.1	F269	F269-P271 HydrophobicContact CD1-CG 4.15Å; F269-P271 HydrophobicContact CE1-CG 3.49Å; F269-P271 VanDerWaalsContact CE1-CG 3.49Å; F269-P271 HydrophobicContact CE2-CG 4.13Å; F269-P271 HydrophobicContact CZ-CG 3.48Å; F269-P271 VanDerWaalsContact CZ-CG 3.48Å
272	Q	91.9	Very high	94.9	Very high	173 Å²	173	55 Å²	55	81%	0.808	30%	0.298	S	S	*	.	T	Hydrogen-bonded Turn	trans	-90.6	-54.9	-179.3	-65.3	-62.9	-21.7	0	0	110.9	D270	D270-Q272 PolarHBondContact O-N 3.49Å; D270-Q272 VanDerWaalsContact O-N 3.16Å; D270-Q272 PolarHBondContact OD1-N 3.11Å
273	A	94.6	Very high	95	Very high	73 Å²	73	52.9 Å²	52.9	60%	0.603	29%	0.287	S	S	*	.	T	Hydrogen-bonded Turn	trans	-81.7	-30.4	-178.3	0	0	0	0	0	112.8	D270 P275	D270-A273 HydrophobicContact CB-CB 4.49Å; D270-A273 PolarHBondContact OD1-N 2.65Å; D270-A273 VanDerWaalsContact OD2-CB 3.23Å; D270-A273 WeakPolarHBondContact OD2-CB 3.42Å; A273-P275 VanDerWaalsContact C-CD 3.44Å; A273-P275 WeakPolarHBondContact O-CD 3.32Å
274	R	95.4	Very high	95.2	Very high	22 Å²	22	43 Å²	43	8%	0.083	24%	0.244	C	C	.	.			trans	-129.2	58.9	-173.7	-54.3	-172.4	71.6	-170.7	2.9	111.8	D262 T264 E266 T268 D270 G276 V277 S278	D262-R274 IonicContact OD1-CZ 3.39Å; D262-R274 IonicContact OD1-NE 3.48Å; D262-R274 PolarHBondContact OD1-NE 3.33Å; D262-R274 IonicContact OD1-NH2 3.55Å; D262-R274 PolarHBondContact OD1-NH2 2.88Å; D262-R274 WeakPolarHBondContact OD2-CB 2.98Å; D262-R274 WeakPolarHBondContact OD2-CG 3.16Å; D262-R274 IonicContact OD2-CZ 2.73Å; D262-R274 IonicContact OD2-NE 3.79Å; D262-R274 PolarHBondContact OD2-NE 2.96Å; D262-R274 IonicContact OD2-NH2 3.73Å; D262-R274 PolarHBondContact OD2-NH2 2.92Å; T264-R274 PolarHBondContact O-NH2 2.85Å; E266-R274 VanDerWaalsContact O-CZ 3.26Å; E266-R274 PolarHBondContact O-NH1 3.15Å; E266-R274 PolarHBondContact O-NH2 2.78Å; T268-R274 WeakPolarHBondContact OG1-CD 3.33Å; T268-R274 PolarHBondContact OG1-NH1 3.33Å; D270-R274 HydrophobicContact CB-CB 4.31Å; D270-R274 HydrophobicContact CB-CG 4.36Å; D270-R274 CarbonylContact O-C 3.51Å; D270-R274 WeakPolarHBondContact O-CA 3.19Å; D270-R274 WeakPolarHBondContact O-CB 3.32Å; D270-R274 PolarHBondContact O-N 3.3Å; R274-G276 VanDerWaalsContact C-N 3.3Å; R274-G276 PolarHBondContact O-N 3.41Å; R274-V277 HydrophobicContact CB-CB 4.49Å; R274-V277 PolarHBondContact O-N 3.28Å; R274-S278 VanDerWaalsContact O-CB 3.3Å; R274-S278 WeakPolarHBondContact O-CB 3.37Å; R274-S278 PolarHBondContact O-N 3.26Å; R274-S278 PolarHBondContact O-OG 3.24Å
275	P	95.4	Very high	95.2	Very high	42 Å²	42	39.5 Å²	39.5	27%	0.273	22%	0.222	S	C	.	.	H	α-helix	trans	-62.6	-33.8	-171.1	25.3	-35.6	0	0	0	113.3	P228 A273 N279	P228-P275 HydrophobicContact CB-CB 3.8Å; P228-P275 HydrophobicContact CB-CG 4.1Å; A273-P275 VanDerWaalsContact C-CD 3.44Å; A273-P275 WeakPolarHBondContact O-CD 3.32Å; P275-N279 VanDerWaalsContact O-CB 3.3Å; P275-N279 WeakPolarHBondContact O-CB 3.43Å; P275-N279 PolarHBondContact O-N 2.91Å
276	G	95.9	Very high	95.2	Very high	7 Å²	7	35.9 Å²	35.9	7%	0.072	20%	0.197	C	C	.	.	H	α-helix	trans	-69.4	-48.8	179.2	0	0	0	0	0	113.3	V260 R274 N279 L280	V260-G276 WeakPolarHBondContact O-CA 3.36Å; R274-G276 VanDerWaalsContact C-N 3.3Å; R274-G276 PolarHBondContact O-N 3.41Å; G276-N279 WeakPolarHBondContact O-CB 3.49Å; G276-N279 PolarHBondContact O-N 3.16Å; G276-L280 PolarHBondContact O-N 2.98Å
277	V	96.8	Very high	95.2	Very high	1 Å²	1	30.1 Å²	30.1	1%	0.006	17%	0.171	C	C	.	.	H	α-helix	trans	-65.6	-42.7	177.4	179.9	0	0	0	0	110.3	T261 V267 R274 N279 L280 V281 T304	T261-V277 HydrophobicContact CG2-CG2 3.8Å; V267-V277 HydrophobicContact CG1-CG1 4.07Å; R274-V277 HydrophobicContact CB-CB 4.49Å; R274-V277 PolarHBondContact O-N 3.28Å; V277-N279 VanDerWaalsContact C-N 3.3Å; V277-N279 PolarHBondContact O-N 3.12Å; V277-L280 WeakPolarHBondContact O-CB 3.41Å; V277-L280 PolarHBondContact O-N 2.84Å; V277-L280 VanDerWaalsContact O-N 3.11Å; V277-V281 WeakPolarHBondContact O-CG2 3.31Å; V277-V281 PolarHBondContact O-N 3.23Å; V277-T304 HydrophobicContact CG2-CG2 4.17Å
278	S	96.5	Very high	95.1	Very high	3 Å²	3	31.8 Å²	31.8	2%	0.021	19%	0.185	C	C	.	.	H	α-helix	trans	-61.6	-37.3	176.4	-58.5	0	0	0	0	112.6	D270 R274 V281 T282	D270-S278 PolarHBondContact N-OG 3.45Å; D270-S278 PolarHBondContact O-OG 3.32Å; R274-S278 VanDerWaalsContact O-CB 3.3Å; R274-S278 WeakPolarHBondContact O-CB 3.37Å; R274-S278 PolarHBondContact O-N 3.26Å; R274-S278 PolarHBondContact O-OG 3.24Å; S278-V281 PolarHBondContact O-N 3.22Å; S278-T282 PolarHBondContact O-N 3.2Å; S278-T282 PolarHBondContact O-OG1 2.99Å; S278-T282 VanDerWaalsContact O-OG1 3.05Å
279	N	96.6	Very high	94.9	Very high	6 Å²	6	38.8 Å²	38.8	3%	0.032	21%	0.207	C	C	.	.	H	α-helix	trans	-62.2	-43.2	173.5	-172.9	42.9	0	0	0	111.7	K223 P275 G276 V277 V281 T282 I283	K223-N279 HydrophobicContact CB-CB 4.32Å; K223-N279 PolarHBondContact N-OD1 3.05Å; K223-N279 PolarHBondContact O-ND2 2.89Å; P275-N279 VanDerWaalsContact O-CB 3.3Å; P275-N279 WeakPolarHBondContact O-CB 3.43Å; P275-N279 PolarHBondContact O-N 2.91Å; G276-N279 WeakPolarHBondContact O-CB 3.49Å; G276-N279 PolarHBondContact O-N 3.16Å; V277-N279 VanDerWaalsContact C-N 3.3Å; V277-N279 PolarHBondContact O-N 3.12Å; N279-V281 VanDerWaalsContact C-N 3.34Å; N279-V281 PolarHBondContact O-N 2.87Å; N279-T282 PolarHBondContact O-N 3.49Å; N279-I283 VanDerWaalsContact O-CG1 3.31Å; N279-I283 WeakPolarHBondContact O-CG1 3.49Å; N279-I283 PolarHBondContact O-N 3.34Å
280	L	97.1	Very high	94.7	Very high	3 Å²	3	37.4 Å²	37.4	2%	0.016	20%	0.203	C	C	.	.	H	α-helix	trans	-63.4	-39.6	175.5	-67.3	175.2	0	0	0	112.1	L225 I256 A259 T261 G276 V277 I283 H284 Y307 K308 V311	L225-L280 HydrophobicContact CD2-CD2 4.39Å; I256-L280 HydrophobicContact CG2-CD2 4.19Å; A259-L280 HydrophobicContact CB-CD2 4.25Å; T261-L280 HydrophobicContact CG2-CD1 3.86Å; G276-L280 PolarHBondContact O-N 2.98Å; V277-L280 WeakPolarHBondContact O-CB 3.41Å; V277-L280 PolarHBondContact O-N 2.84Å; V277-L280 VanDerWaalsContact O-N 3.11Å; L280-I283 PolarHBondContact O-N 2.91Å; L280-H284 VanDerWaalsContact O-CB 3.31Å; L280-H284 WeakPolarHBondContact O-CB 3.19Å; L280-H284 PolarHBondContact O-N 2.84Å; L280-Y307 HydrophobicContact CB-CE1 4.15Å; L280-K308 HydrophobicContact CD1-CD 4.44Å; L280-K308 HydrophobicContact CD1-CG 3.68Å; L280-V311 HydrophobicContact CB-CG2 4.48Å
281	V	96.3	Very high	94.7	Very high	0 Å²	0	36.4 Å²	36.4	0%	0	20%	0.201	C	C	.	.	H	α-helix	trans	-63.2	-44.3	172.7	174.7	0	0	0	0	111.4	V267 F269 V277 S278 N279 I283 H284 A285 V292 A295 V296 Y307	V267-V281 HydrophobicContact CG1-CG2 3.81Å; F269-V281 HydrophobicContact CD2-CB 3.94Å; F269-V281 HydrophobicContact CD2-CG1 3.76Å; F269-V281 HydrophobicContact CE2-CG1 4.45Å; V277-V281 WeakPolarHBondContact O-CG2 3.31Å; V277-V281 PolarHBondContact O-N 3.23Å; S278-V281 PolarHBondContact O-N 3.22Å; N279-V281 VanDerWaalsContact C-N 3.34Å; N279-V281 PolarHBondContact O-N 2.87Å; V281-I283 PolarHBondContact O-N 2.66Å; V281-H284 PolarHBondContact O-N 3.43Å; V281-A285 VanDerWaalsContact O-CB 3.26Å; V281-A285 WeakPolarHBondContact O-CB 3.27Å; V281-A285 PolarHBondContact O-N 3.46Å; V281-V292 HydrophobicContact CG1-CG1 3.94Å; V281-A295 HydrophobicContact CG1-CB 4.1Å; V281-V296 HydrophobicContact CG1-CG2 3.81Å; V281-V296 HydrophobicContact CG2-CG2 4.33Å; V281-Y307 WeakPolarHBondContact CA-OH 3.37Å; V281-Y307 HydrophobicContact CG2-CE1 3.89Å
282	T	95.1	Very high	94.7	Very high	26 Å²	26	35.6 Å²	35.6	16%	0.16	20%	0.195	C	C	.	.	H	α-helix	trans	-60.4	-43.8	175.5	-62.2	0	0	0	0	111.9	R220 S278 N279 A286	R220-T282 HydrophobicContact CB-CG2 4.22Å; S278-T282 PolarHBondContact O-N 3.2Å; S278-T282 PolarHBondContact O-OG1 2.99Å; S278-T282 VanDerWaalsContact O-OG1 3.05Å; N279-T282 PolarHBondContact O-N 3.49Å; T282-A286 VanDerWaalsContact O-CB 3.3Å; T282-A286 WeakPolarHBondContact O-CB 3.32Å; T282-A286 PolarHBondContact O-N 2.84Å
283	I	95.8	Very high	94.9	Very high	1 Å²	1	33.9 Å²	33.9	1%	0.005	19%	0.187	C	C	.	.	H	α-helix	trans	-61.8	-51.4	176.3	-70.3	165.2	0	0	0	110	L55 V222 L225 N279 L280 V281 A285 A286 V287 V311 V315	L55-I283 HydrophobicContact CD2-CG1 4.48Å; L55-I283 HydrophobicContact CD2-CG2 3.86Å; V222-I283 HydrophobicContact CG1-CD1 3.92Å; V222-I283 HydrophobicContact CG1-CG1 3.84Å; L225-I283 HydrophobicContact CD2-CD1 4.08Å; N279-I283 VanDerWaalsContact O-CG1 3.31Å; N279-I283 WeakPolarHBondContact O-CG1 3.49Å; N279-I283 PolarHBondContact O-N 3.34Å; L280-I283 PolarHBondContact O-N 2.91Å; V281-I283 PolarHBondContact O-N 2.66Å; I283-A285 PolarHBondContact O-N 3.11Å; I283-A286 WeakPolarHBondContact O-CB 3.34Å; I283-A286 PolarHBondContact O-N 2.78Å; I283-A286 VanDerWaalsContact O-N 3.08Å; I283-V287 HydrophobicContact CG2-CG1 4.46Å; I283-V287 WeakPolarHBondContact O-CG2 3.29Å; I283-V287 PolarHBondContact O-N 3Å; I283-V311 HydrophobicContact CB-CG1 4.47Å; I283-V311 HydrophobicContact CG2-CG1 3.95Å; I283-V315 HydrophobicContact CG2-CG2 3.66Å
284	H	96.4	Very high	94.9	Very high	10 Å²	10	35.3 Å²	35.3	5%	0.046	18%	0.181	C	C	.	.	H	α-helix	trans	-57.7	-50.9	180	178.1	-150.1	0	0	0	111.7	L280 V281 A286 V287 A288 Y307 L310 V311	L280-H284 VanDerWaalsContact O-CB 3.31Å; L280-H284 WeakPolarHBondContact O-CB 3.19Å; L280-H284 PolarHBondContact O-N 2.84Å; V281-H284 PolarHBondContact O-N 3.43Å; H284-A286 PolarHBondContact O-N 3.17Å; H284-V287 PolarHBondContact O-N 3Å; H284-A288 VanDerWaalsContact O-CB 3.23Å; H284-A288 WeakPolarHBondContact O-CB 3.07Å; H284-A288 PolarHBondContact O-N 3.14Å; H284-Y307 WeakPolarHBondContact CB-OH 3.21Å; H284-Y307 AromaticContact ND1-CE2 3.59Å; H284-Y307 AromaticContact ND1-CZ 3.63Å; H284-Y307 PolarHBondContact ND1-OH 3.48Å; H284-L310 WeakPolarHBondContact CE1-CD2 3.29Å; H284-L310 VanDerWaalsContact NE2-CD2 3.31Å; H284-L310 WeakPolarHBondContact NE2-CD2 3.49Å; H284-V311 HydrophobicContact CB-CG1 4.37Å; H284-V311 HydrophobicContact CB-CG2 3.83Å
285	A	94.6	Very high	94.9	Very high	0 Å²	0	34.3 Å²	34.3	0%	0	18%	0.177	C	C	.	.	H	α-helix	trans	-57	-35	176.5	0	0	0	0	0	112	R220 V281 I283 R289 L290 A295	R220-A285 PolarHBondContact NH1-O 3.47Å; V281-A285 VanDerWaalsContact O-CB 3.26Å; V281-A285 WeakPolarHBondContact O-CB 3.27Å; V281-A285 PolarHBondContact O-N 3.46Å; I283-A285 PolarHBondContact O-N 3.11Å; A285-R289 WeakPolarHBondContact O-CA 3.41Å; A285-R289 PolarHBondContact O-N 2.91Å; A285-L290 PolarHBondContact O-N 3.13Å; A285-L290 VanDerWaalsContact O-O 3.07Å; A285-A295 HydrophobicContact CB-CB 3.87Å
286	A	92.2	Very high	94.9	Very high	4 Å²	4	33.9 Å²	33.9	3%	0.033	17%	0.174	C	C	.	.	H	α-helix	trans	-72.9	-53.3	179.8	0	0	0	0	0	112.3	L59 T282 I283 H284 A288 R289	L59-A286 HydrophobicContact CD1-CB 3.69Å; L59-A286 HydrophobicContact CD2-CB 3.96Å; L59-A286 HydrophobicContact CG-CB 4.31Å; T282-A286 VanDerWaalsContact O-CB 3.3Å; T282-A286 WeakPolarHBondContact O-CB 3.32Å; T282-A286 PolarHBondContact O-N 2.84Å; I283-A286 WeakPolarHBondContact O-CB 3.34Å; I283-A286 PolarHBondContact O-N 2.78Å; I283-A286 VanDerWaalsContact O-N 3.08Å; H284-A286 PolarHBondContact O-N 3.17Å; A286-A288 VanDerWaalsContact C-N 3.3Å; A286-A288 PolarHBondContact O-N 3.25Å; A286-R289 PolarHBondContact O-N 3.32Å
287	V	93.6	Very high	94.8	Very high	10 Å²	10	36.6 Å²	36.6	6%	0.061	19%	0.192	C	C	.	.	H	α-helix	trans	-69.3	-30.9	-176.1	-59.7	0	0	0	0	112.5	L55 L59 I283 H284 A314 V315 R318	L55-V287 HydrophobicContact CD1-CG1 4.36Å; L59-V287 HydrophobicContact CD1-CG1 4.23Å; L59-V287 HydrophobicContact CD2-CG1 4.29Å; I283-V287 HydrophobicContact CG2-CG1 4.46Å; I283-V287 WeakPolarHBondContact O-CG2 3.29Å; I283-V287 PolarHBondContact O-N 3Å; H284-V287 PolarHBondContact O-N 3Å; V287-A314 HydrophobicContact CG2-CB 3.7Å; V287-V315 HydrophobicContact CG1-CG2 4.08Å; V287-V315 HydrophobicContact CG2-CG2 4.16Å; V287-R318 HydrophobicContact CB-CB 3.97Å; V287-R318 HydrophobicContact CB-CG 4.06Å; V287-R318 HydrophobicContact CG1-CB 4.38Å; V287-R318 HydrophobicContact CG1-CG 4.26Å
288	A	93.4	Very high	94.6	Very high	42 Å²	42	39 Å²	39	35%	0.347	21%	0.212	S	C	.	.	T	Hydrogen-bonded Turn	trans	-88.9	-3	177.5	0	0	0	0	0	113.7	H284 A286 L290	H284-A288 VanDerWaalsContact O-CB 3.23Å; H284-A288 WeakPolarHBondContact O-CB 3.07Å; H284-A288 PolarHBondContact O-N 3.14Å; A286-A288 VanDerWaalsContact C-N 3.3Å; A286-A288 PolarHBondContact O-N 3.25Å; A288-L290 VanDerWaalsContact C-N 3.3Å; A288-L290 HydrophobicContact CB-CD1 3.79Å; A288-L290 HydrophobicContact CB-CG 3.81Å; A288-L290 PolarHBondContact O-N 3.24Å
289	R	90.9	Very high	94.4	Very high	191 Å²	191	39.1 Å²	39.1	72%	0.721	21%	0.213	S	C	*	.	T	Hydrogen-bonded Turn	trans	54.3	43	-175.2	-57.9	-178.3	176.5	175.7	-0.6	113.5	A285 A286	A285-R289 WeakPolarHBondContact O-CA 3.41Å; A285-R289 PolarHBondContact O-N 2.91Å; A286-R289 PolarHBondContact O-N 3.32Å
290	L	93.2	Very high	94.2	Very high	53 Å²	53	46.7 Å²	46.7	28%	0.277	25%	0.245	S	C	.	.			trans	-105.6	162.5	177.6	-59.1	176.2	0	0	0	110.9	A285 A288 E294	A285-L290 PolarHBondContact O-N 3.13Å; A285-L290 VanDerWaalsContact O-O 3.07Å; A288-L290 VanDerWaalsContact C-N 3.3Å; A288-L290 HydrophobicContact CB-CD1 3.79Å; A288-L290 HydrophobicContact CB-CG 3.81Å; A288-L290 PolarHBondContact O-N 3.24Å; L290-E294 WeakPolarHBondContact CA-OE2 3.27Å; L290-E294 HydrophobicContact CB-CB 3.96Å; L290-E294 HydrophobicContact CD2-CB 4.45Å
291	S	93.8	Very high	93.9	Very high	44 Å²	44	50.7 Å²	50.7	31%	0.308	29%	0.288	S	S	.	.			trans	-70	163.4	161.2	99.9	0	0	0	0	110.7	E293 E294 A295	S291-E293 VanDerWaalsContact C-N 3.28Å; S291-E293 VanDerWaalsContact CB-OE2 3.26Å; S291-E293 WeakPolarHBondContact CB-OE2 3.28Å; S291-E293 PolarHBondContact O-N 3.16Å; S291-E293 PolarHBondContact OG-N 2.75Å; S291-E293 PolarHBondContact OG-OE2 3.3Å; S291-E294 PolarHBondContact N-OE2 3.13Å; S291-E294 PolarHBondContact O-N 2.7Å; S291-E294 WeakPolarHBondContact OG-CG 3.4Å; S291-E294 PolarHBondContact OG-N 3.5Å; S291-A295 WeakPolarHBondContact O-CB 3.27Å; S291-A295 PolarHBondContact O-N 2.97Å
292	V	93.5	Very high	93.8	Very high	36 Å²	36	53.3 Å²	53.3	22%	0.218	30%	0.301	C	S	.	.	H	α-helix	trans	-63.3	-40.3	175.5	169.8	0	0	0	0	110.2	F269 V281 A295 V296	F269-V292 HydrophobicContact CB-CG1 3.84Å; F269-V292 HydrophobicContact CD1-CG1 3.61Å; F269-V292 HydrophobicContact CD2-CG1 3.6Å; F269-V292 HydrophobicContact CE1-CG1 3.98Å; F269-V292 HydrophobicContact CE2-CG1 3.98Å; F269-V292 HydrophobicContact CE2-CG2 4.49Å; F269-V292 HydrophobicContact CG-CG1 3.38Å; F269-V292 HydrophobicContact CZ-CG1 4.14Å; F269-V292 HydrophobicContact CZ-CG2 4.41Å; V281-V292 HydrophobicContact CG1-CG1 3.94Å; V292-A295 PolarHBondContact O-N 3.41Å; V292-V296 WeakPolarHBondContact O-CG2 3.36Å; V292-V296 PolarHBondContact O-N 3.31Å
293	E	95.1	Very high	93.8	Very high	137 Å²	137	56 Å²	56	64%	0.64	32%	0.315	S	S	*	.	H	α-helix	trans	-64.1	-41.5	178.5	-56.1	70.7	-152.8	0	0	111.2	S291 V296 S297	S291-E293 VanDerWaalsContact C-N 3.28Å; S291-E293 VanDerWaalsContact CB-OE2 3.26Å; S291-E293 WeakPolarHBondContact CB-OE2 3.28Å; S291-E293 PolarHBondContact O-N 3.16Å; S291-E293 PolarHBondContact OG-N 2.75Å; S291-E293 PolarHBondContact OG-OE2 3.3Å; E293-V296 PolarHBondContact O-N 3.29Å; E293-S297 VanDerWaalsContact O-CB 3.25Å; E293-S297 WeakPolarHBondContact O-CB 3.12Å; E293-S297 PolarHBondContact O-N 3.37Å
294	E	95.9	Very high	93.7	Very high	104 Å²	104	57.1 Å²	57.1	49%	0.486	32%	0.322	S	S	.	.	H	α-helix	trans	-64.6	-42.8	174.6	-72.2	175.6	149.3	0	0	111.6	L290 S291 S297 A298	L290-E294 WeakPolarHBondContact CA-OE2 3.27Å; L290-E294 HydrophobicContact CB-CB 3.96Å; L290-E294 HydrophobicContact CD2-CB 4.45Å; S291-E294 PolarHBondContact N-OE2 3.13Å; S291-E294 PolarHBondContact O-N 2.7Å; S291-E294 WeakPolarHBondContact OG-CG 3.4Å; S291-E294 PolarHBondContact OG-N 3.5Å; E294-S297 WeakPolarHBondContact O-CB 3.46Å; E294-S297 PolarHBondContact O-N 3.35Å; E294-A298 WeakPolarHBondContact O-CB 3.17Å; E294-A298 PolarHBondContact O-N 2.77Å
295	A	94.6	Very high	93.7	Very high	0 Å²	0	58.8 Å²	58.8	0%	0	34%	0.341	C	S	.	.	H	α-helix	trans	-64.3	-40.1	177	0	0	0	0	0	112.5	V281 A285 S291 V292 A299	V281-A295 HydrophobicContact CG1-CB 4.1Å; A285-A295 HydrophobicContact CB-CB 3.87Å; S291-A295 WeakPolarHBondContact O-CB 3.27Å; S291-A295 PolarHBondContact O-N 2.97Å; V292-A295 PolarHBondContact O-N 3.41Å; A295-A299 PolarHBondContact O-N 3.4Å
296	V	95.3	Very high	93.8	Very high	34 Å²	34	61 Å²	61	21%	0.206	36%	0.36	C	S	.	.	H	α-helix	trans	-67.8	-40.5	173.4	173.2	0	0	0	0	110.8	F269 V281 V292 E293 A298 A299 K300	F269-V296 HydrophobicContact CB-CG2 3.92Å; V281-V296 HydrophobicContact CG1-CG2 3.81Å; V281-V296 HydrophobicContact CG2-CG2 4.33Å; V292-V296 WeakPolarHBondContact O-CG2 3.36Å; V292-V296 PolarHBondContact O-N 3.31Å; E293-V296 PolarHBondContact O-N 3.29Å; V296-A298 VanDerWaalsContact C-N 3.32Å; V296-A298 PolarHBondContact O-N 2.98Å; V296-A299 WeakPolarHBondContact O-CA 3.47Å; V296-A299 WeakPolarHBondContact O-CB 3.15Å; V296-A299 PolarHBondContact O-N 3.23Å; V296-K300 PolarHBondContact O-N 2.96Å
297	S	95.2	Very high	94.1	Very high	63 Å²	63	60.9 Å²	60.9	44%	0.441	36%	0.359	S	S	.	.	H	α-helix	trans	-61.7	-40.4	176.4	-170.1	0	0	0	0	112	E293 E294 A299 K300	E293-S297 VanDerWaalsContact O-CB 3.25Å; E293-S297 WeakPolarHBondContact O-CB 3.12Å; E293-S297 PolarHBondContact O-N 3.37Å; E294-S297 WeakPolarHBondContact O-CB 3.46Å; E294-S297 PolarHBondContact O-N 3.35Å; S297-A299 PolarHBondContact O-N 2.73Å; S297-K300 WeakPolarHBondContact O-CB 3.49Å; S297-K300 WeakPolarHBondContact O-CG 3.34Å; S297-K300 PolarHBondContact O-N 3.35Å
298	A	91.8	Very high	94.3	Very high	53 Å²	53	61.4 Å²	61.4	44%	0.438	36%	0.36	S	S	.	.	H	α-helix	trans	-65.6	-20.4	173.8	0	0	0	0	0	113.3	E294 V296	E294-A298 WeakPolarHBondContact O-CB 3.17Å; E294-A298 PolarHBondContact O-N 2.77Å; V296-A298 VanDerWaalsContact C-N 3.32Å; V296-A298 PolarHBondContact O-N 2.98Å
299	A	92.4	Very high	94.5	Very high	4 Å²	4	61.5 Å²	61.5	3%	0.033	37%	0.365	C	S	.	.	T	Hydrogen-bonded Turn	trans	-87.7	-4.4	176.5	0	0	0	0	0	113.9	V267 A295 V296 S297 G301 L302 Y307	V267-A299 HydrophobicContact CB-CB 3.69Å; V267-A299 HydrophobicContact CG1-CB 3.66Å; V267-A299 HydrophobicContact CG2-CB 4.1Å; A295-A299 PolarHBondContact O-N 3.4Å; V296-A299 WeakPolarHBondContact O-CA 3.47Å; V296-A299 WeakPolarHBondContact O-CB 3.15Å; V296-A299 PolarHBondContact O-N 3.23Å; S297-A299 PolarHBondContact O-N 2.73Å; A299-G301 PolarHBondContact O-N 2.86Å; A299-L302 WeakPolarHBondContact O-CB 3.26Å; A299-L302 PolarHBondContact O-N 3.41Å; A299-Y307 HydrophobicContact CB-CD2 3.5Å; A299-Y307 HydrophobicContact CB-CE2 3.5Å; A299-Y307 VanDerWaalsContact CB-CE2 3.5Å; A299-Y307 HydrophobicContact CB-CG 4.32Å
300	K	91.8	Very high	94.8	Very high	165 Å²	165	54.4 Å²	54.4	72%	0.717	34%	0.341	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.2	126.9	-177.8	-76.1	-178.7	179.1	-177.3	0	111.5	V296 S297 L302	V296-K300 PolarHBondContact O-N 2.96Å; S297-K300 WeakPolarHBondContact O-CB 3.49Å; S297-K300 WeakPolarHBondContact O-CG 3.34Å; S297-K300 PolarHBondContact O-N 3.35Å; K300-L302 VanDerWaalsContact C-N 3.27Å; K300-L302 PolarHBondContact O-N 3.45Å
301	G	90.6	Very high	95	Very high	88 Å²	88	51.9 Å²	51.9	91%	0.907	33%	0.328	S	S	*	.	T	Hydrogen-bonded Turn	trans	81.1	0.2	-178.7	0	0	0	0	0	114.6	A299	A299-G301 PolarHBondContact O-N 2.86Å
302	L	94.6	Very high	95.2	Very high	54 Å²	54	50.2 Å²	50.2	28%	0.283	32%	0.316	S	S	.	.			trans	-94.5	142.8	170.1	-56.6	-178.4	0	0	0	110	A299 K300 A306 Y307 L310	A299-L302 WeakPolarHBondContact O-CB 3.26Å; A299-L302 PolarHBondContact O-N 3.41Å; K300-L302 VanDerWaalsContact C-N 3.27Å; K300-L302 PolarHBondContact O-N 3.45Å; L302-A306 HydrophobicContact CB-CB 4.29Å; L302-A306 HydrophobicContact CD2-CB 4.24Å; L302-Y307 HydrophobicContact CD1-CD2 4.48Å; L302-L310 HydrophobicContact CD1-CD1 4.02Å
303	D	95.4	Very high	95.4	Very high	84 Å²	84	54 Å²	54	45%	0.449	33%	0.332	S	S	.	.	B	Isolated β-bridge	trans	-79.3	168.5	163	67.3	16.6	0	0	0	110.9	S265 G305 A306 Y307	S265-D303 CarbonylContact O-C 3.49Å; S265-D303 VanDerWaalsContact O-CA 3.25Å; S265-D303 WeakPolarHBondContact O-CA 3.41Å; D303-G305 PolarHBondContact O-N 3.17Å; D303-G305 PolarHBondContact OD1-N 2.83Å; D303-A306 PolarHBondContact O-N 3.43Å; D303-A306 VanDerWaalsContact OD1-CB 3.26Å; D303-A306 WeakPolarHBondContact OD1-CB 3.37Å; D303-A306 PolarHBondContact OD1-N 3.38Å; D303-Y307 VanDerWaalsContact O-CB 3.31Å; D303-Y307 WeakPolarHBondContact O-CB 3.3Å; D303-Y307 PolarHBondContact O-N 2.75Å
304	T	94.2	Very high	95.5	Very high	23 Å²	23	48.3 Å²	48.3	14%	0.141	31%	0.308	C	S	.	.	H	α-helix	trans	-59.2	-28.4	179	53.9	0	0	0	0	113.3	T264 S265 V267 V277 K308	T264-T304 WeakPolarHBondContact O-CG2 3.27Å; S265-T304 PolarHBondContact O-N 3.44Å; V267-T304 HydrophobicContact CG2-CG2 4.4Å; V277-T304 HydrophobicContact CG2-CG2 4.17Å; T304-K308 VanDerWaalsContact O-CG 3.3Å; T304-K308 WeakPolarHBondContact O-CG 3.45Å; T304-K308 PolarHBondContact O-N 2.93Å
305	G	95.7	Very high	95.6	Very high	45 Å²	45	43.4 Å²	43.4	46%	0.464	29%	0.285	S	S	.	.	H	α-helix	trans	-70.9	-50.6	177.7	0	0	0	0	0	112.6	D303 Y307 K308 G309	D303-G305 PolarHBondContact O-N 3.17Å; D303-G305 PolarHBondContact OD1-N 2.83Å; G305-Y307 VanDerWaalsContact C-N 3.3Å; G305-Y307 PolarHBondContact O-N 3.07Å; G305-K308 WeakPolarHBondContact O-CB 3.47Å; G305-K308 PolarHBondContact O-N 3.16Å; G305-G309 PolarHBondContact O-N 3.43Å
306	A	96.5	Very high	95.8	Very high	47 Å²	47	44.5 Å²	44.5	39%	0.388	29%	0.291	S	S	.	.	H	α-helix	trans	-63.3	-39	174.2	0	0	0	0	0	111	L302 D303 K308 G309 L310	L302-A306 HydrophobicContact CB-CB 4.29Å; L302-A306 HydrophobicContact CD2-CB 4.24Å; D303-A306 PolarHBondContact O-N 3.43Å; D303-A306 VanDerWaalsContact OD1-CB 3.26Å; D303-A306 WeakPolarHBondContact OD1-CB 3.37Å; D303-A306 PolarHBondContact OD1-N 3.38Å; A306-K308 PolarHBondContact O-N 3.39Å; A306-G309 WeakPolarHBondContact O-CA 3.49Å; A306-G309 PolarHBondContact O-N 3.43Å; A306-L310 PolarHBondContact O-N 2.97Å; A306-L310 VanDerWaalsContact O-N 3.09Å
307	Y	97.8	Very high	95.9	Very high	1 Å²	1	49.6 Å²	49.6	0%	0.004	31%	0.312	C	S	.	.	H	α-helix	trans	-62.5	-41.8	175.9	-173.5	-114.9	0	0	0	112.5	V267 L280 V281 H284 A299 L302 D303 G305 G309 L310 V311	V267-Y307 HydrophobicContact CG1-CD1 3.85Å; V267-Y307 HydrophobicContact CG1-CD2 4.44Å; V267-Y307 HydrophobicContact CG1-CE1 3.79Å; V267-Y307 HydrophobicContact CG1-CE2 4.4Å; V267-Y307 HydrophobicContact CG1-CG 4.18Å; V267-Y307 HydrophobicContact CG2-CD1 3.9Å; V267-Y307 HydrophobicContact CG2-CD2 4.34Å; V267-Y307 HydrophobicContact CG2-CG 3.71Å; L280-Y307 HydrophobicContact CB-CE1 4.15Å; V281-Y307 WeakPolarHBondContact CA-OH 3.37Å; V281-Y307 HydrophobicContact CG2-CE1 3.89Å; H284-Y307 WeakPolarHBondContact CB-OH 3.21Å; H284-Y307 AromaticContact ND1-CE2 3.59Å; H284-Y307 AromaticContact ND1-CZ 3.63Å; H284-Y307 PolarHBondContact ND1-OH 3.48Å; A299-Y307 HydrophobicContact CB-CD2 3.5Å; A299-Y307 HydrophobicContact CB-CE2 3.5Å; A299-Y307 VanDerWaalsContact CB-CE2 3.5Å; A299-Y307 HydrophobicContact CB-CG 4.32Å; L302-Y307 HydrophobicContact CD1-CD2 4.48Å; D303-Y307 VanDerWaalsContact O-CB 3.31Å; D303-Y307 WeakPolarHBondContact O-CB 3.3Å; D303-Y307 PolarHBondContact O-N 2.75Å; G305-Y307 VanDerWaalsContact C-N 3.3Å; G305-Y307 PolarHBondContact O-N 3.07Å; Y307-G309 PolarHBondContact O-N 3.09Å; Y307-L310 HydrophobicContact CD2-CD2 4.42Å; Y307-L310 HydrophobicContact CE2-CD2 4.15Å; Y307-L310 WeakPolarHBondContact O-CB 3.19Å; Y307-L310 PolarHBondContact O-N 2.79Å; Y307-V311 HydrophobicContact CD1-CG2 4.01Å; Y307-V311 HydrophobicContact CE1-CG2 3.66Å; Y307-V311 HydrophobicContact CE2-CG2 4.22Å; Y307-V311 HydrophobicContact CG-CG2 4.43Å; Y307-V311 WeakPolarHBondContact O-CG2 3.38Å; Y307-V311 PolarHBondContact O-N 2.67Å
308	K	97.8	Very high	95.9	Very high	22 Å²	22	49.2 Å²	49.2	10%	0.096	30%	0.301	C	S	.	.	H	α-helix	trans	-56.3	-36.6	171.3	-80.3	168.5	173.1	177.3	0	112.3	I256 R257 A259 T261 L280 T304 G305 A306 S312	I256-K308 HydrophobicContact CG2-CB 4Å; I256-K308 HydrophobicContact CG2-CG 4.19Å; I256-K308 VanDerWaalsContact CG2-O 3.29Å; I256-K308 WeakPolarHBondContact CG2-O 3.34Å; I256-K308 WeakPolarHBondContact O-CD 3.42Å; R257-K308 PolarHBondContact O-NZ 3.46Å; A259-K308 WeakPolarHBondContact O-CE 3.44Å; A259-K308 PolarHBondContact O-NZ 3.06Å; T261-K308 VanDerWaalsContact CG2-CE 3.47Å; T261-K308 PolarHBondContact OG1-NZ 3.07Å; L280-K308 HydrophobicContact CD1-CD 4.44Å; L280-K308 HydrophobicContact CD1-CG 3.68Å; T304-K308 VanDerWaalsContact O-CG 3.3Å; T304-K308 WeakPolarHBondContact O-CG 3.45Å; T304-K308 PolarHBondContact O-N 2.93Å; G305-K308 WeakPolarHBondContact O-CB 3.47Å; G305-K308 PolarHBondContact O-N 3.16Å; A306-K308 PolarHBondContact O-N 3.39Å; K308-S312 WeakPolarHBondContact O-CB 3.43Å; K308-S312 PolarHBondContact O-N 3.16Å; K308-S312 PolarHBondContact O-OG 3.04Å
309	G	97.6	Very high	96.2	Very high	43 Å²	43	46.7 Å²	46.7	44%	0.443	28%	0.28	S	S	.	.	H	α-helix	trans	-61.4	-46.6	172.8	0	0	0	0	0	112.3	G305 A306 Y307 S312 E313	G305-G309 PolarHBondContact O-N 3.43Å; A306-G309 WeakPolarHBondContact O-CA 3.49Å; A306-G309 PolarHBondContact O-N 3.43Å; Y307-G309 PolarHBondContact O-N 3.09Å; G309-S312 WeakPolarHBondContact O-CB 3.22Å; G309-S312 PolarHBondContact O-N 3.2Å; G309-E313 PolarHBondContact O-N 2.89Å; G309-E313 VanDerWaalsContact O-N 3.08Å
310	L	97.3	Very high	96.4	Very high	43 Å²	43	47.5 Å²	47.5	23%	0.225	29%	0.287	C	S	.	.	H	α-helix	trans	-62.3	-45.1	176.8	-176.6	148.9	0	0	0	112.4	H284 L302 A306 Y307 S312 E313 A314	H284-L310 WeakPolarHBondContact CE1-CD2 3.29Å; H284-L310 VanDerWaalsContact NE2-CD2 3.31Å; H284-L310 WeakPolarHBondContact NE2-CD2 3.49Å; L302-L310 HydrophobicContact CD1-CD1 4.02Å; A306-L310 PolarHBondContact O-N 2.97Å; A306-L310 VanDerWaalsContact O-N 3.09Å; Y307-L310 HydrophobicContact CD2-CD2 4.42Å; Y307-L310 HydrophobicContact CE2-CD2 4.15Å; Y307-L310 WeakPolarHBondContact O-CB 3.19Å; Y307-L310 PolarHBondContact O-N 2.79Å; L310-S312 VanDerWaalsContact C-N 3.28Å; L310-S312 PolarHBondContact O-N 2.76Å; L310-E313 PolarHBondContact O-N 2.94Å; L310-A314 PolarHBondContact O-N 3.13Å; L310-A314 VanDerWaalsContact O-N 3.09Å
311	V	97.9	Very high	96.7	Very high	0 Å²	0	43.2 Å²	43.2	0%	0	28%	0.276	C	S	.	.	H	α-helix	trans	-62.5	-38.6	175.9	-177.5	0	0	0	0	110.9	I256 L280 I283 H284 Y307 A314 V315	I256-V311 HydrophobicContact CD1-CG1 4.38Å; I256-V311 HydrophobicContact CG2-CB 4.39Å; L280-V311 HydrophobicContact CB-CG2 4.48Å; I283-V311 HydrophobicContact CB-CG1 4.47Å; I283-V311 HydrophobicContact CG2-CG1 3.95Å; H284-V311 HydrophobicContact CB-CG1 4.37Å; H284-V311 HydrophobicContact CB-CG2 3.83Å; Y307-V311 HydrophobicContact CD1-CG2 4.01Å; Y307-V311 HydrophobicContact CE1-CG2 3.66Å; Y307-V311 HydrophobicContact CE2-CG2 4.22Å; Y307-V311 HydrophobicContact CG-CG2 4.43Å; Y307-V311 WeakPolarHBondContact O-CG2 3.38Å; Y307-V311 PolarHBondContact O-N 2.67Å; V311-A314 PolarHBondContact O-N 2.84Å; V311-V315 HydrophobicContact CG1-CG2 4.24Å; V311-V315 VanDerWaalsContact O-CG2 3.25Å; V311-V315 WeakPolarHBondContact O-CG2 3.36Å; V311-V315 PolarHBondContact O-N 3.5Å
312	S	98.3	Very high	97	Very high	8 Å²	8	39.3 Å²	39.3	6%	0.056	23%	0.234	C	C	.	.	H	α-helix	trans	-59.5	-50.8	177.1	-56.9	0	0	0	0	111.5	I256 K308 G309 L310 A314 V315 I316	I256-S312 WeakPolarHBondContact CB-OG 3.46Å; I256-S312 WeakPolarHBondContact CG2-OG 3.41Å; K308-S312 WeakPolarHBondContact O-CB 3.43Å; K308-S312 PolarHBondContact O-N 3.16Å; K308-S312 PolarHBondContact O-OG 3.04Å; G309-S312 WeakPolarHBondContact O-CB 3.22Å; G309-S312 PolarHBondContact O-N 3.2Å; L310-S312 VanDerWaalsContact C-N 3.28Å; L310-S312 PolarHBondContact O-N 2.76Å; S312-A314 VanDerWaalsContact C-N 3.34Å; S312-A314 PolarHBondContact O-N 2.96Å; S312-V315 PolarHBondContact O-N 3.31Å; S312-I316 WeakPolarHBondContact O-CB 3.4Å; S312-I316 WeakPolarHBondContact O-CD1 3.45Å; S312-I316 WeakPolarHBondContact O-CG1 3.33Å; S312-I316 PolarHBondContact O-N 2.92Å
313	E	97.7	Very high	97	Very high	117 Å²	117	37.9 Å²	37.9	55%	0.547	23%	0.225	S	C	.	.	H	α-helix	trans	-59.5	-45.4	179.2	-173	58.2	-149.8	0	0	111.6	G309 L310 V315 I316 Q317	G309-E313 PolarHBondContact O-N 2.89Å; G309-E313 VanDerWaalsContact O-N 3.08Å; L310-E313 PolarHBondContact O-N 2.94Å; E313-V315 VanDerWaalsContact C-N 3.34Å; E313-V315 PolarHBondContact O-N 3.24Å; E313-I316 PolarHBondContact O-N 3.39Å; E313-Q317 WeakPolarHBondContact O-CB 3.28Å; E313-Q317 PolarHBondContact O-N 3.29Å
314	A	97.6	Very high	97.1	Very high	17 Å²	17	39.7 Å²	39.7	14%	0.14	23%	0.231	C	C	.	.	H	α-helix	trans	-62	-40.5	179.4	0	0	0	0	0	112.4	V287 L310 V311 S312 R318	V287-A314 HydrophobicContact CG2-CB 3.7Å; L310-A314 PolarHBondContact O-N 3.13Å; L310-A314 VanDerWaalsContact O-N 3.09Å; V311-A314 PolarHBondContact O-N 2.84Å; S312-A314 VanDerWaalsContact C-N 3.34Å; S312-A314 PolarHBondContact O-N 2.96Å; A314-R318 WeakPolarHBondContact O-CB 3.43Å; A314-R318 PolarHBondContact O-N 3.03Å
315	V	97.8	Very high	97.3	Very high	0 Å²	0	41.6 Å²	41.6	0%	0	24%	0.238	C	C	.	.	H	α-helix	trans	-67.9	-44.5	176	174.3	0	0	0	0	110.9	L55 I243 I252 I256 I283 V287 V311 S312 E313 Q317 R318 L319	L55-V315 HydrophobicContact CD2-CG1 4.28Å; L55-V315 HydrophobicContact CD2-CG2 4.34Å; I243-V315 HydrophobicContact CG2-CG1 4.48Å; I252-V315 HydrophobicContact CD1-CG1 4.49Å; I252-V315 HydrophobicContact CG2-CB 4.1Å; I252-V315 HydrophobicContact CG2-CG1 3.74Å; I256-V315 HydrophobicContact CD1-CB 4.22Å; I256-V315 HydrophobicContact CD1-CG2 4.06Å; I283-V315 HydrophobicContact CG2-CG2 3.66Å; V287-V315 HydrophobicContact CG1-CG2 4.08Å; V287-V315 HydrophobicContact CG2-CG2 4.16Å; V311-V315 HydrophobicContact CG1-CG2 4.24Å; V311-V315 VanDerWaalsContact O-CG2 3.25Å; V311-V315 WeakPolarHBondContact O-CG2 3.36Å; V311-V315 PolarHBondContact O-N 3.5Å; S312-V315 PolarHBondContact O-N 3.31Å; E313-V315 VanDerWaalsContact C-N 3.34Å; E313-V315 PolarHBondContact O-N 3.24Å; V315-Q317 PolarHBondContact O-N 3.42Å; V315-R318 PolarHBondContact O-N 3.41Å; V315-L319 HydrophobicContact CG1-CD1 3.71Å; V315-L319 HydrophobicContact CG1-CG 4.26Å; V315-L319 WeakPolarHBondContact O-CB 3.36Å; V315-L319 WeakPolarHBondContact O-CG 3.44Å; V315-L319 PolarHBondContact O-N 3.18Å
316	I	98.3	Very high	97.3	Very high	24 Å²	24	39.6 Å²	39.6	12%	0.123	22%	0.217	C	C	.	.	H	α-helix	trans	-59.4	-49	178.6	-69	165.7	0	0	0	110.1	P249 I252 S312 E313 R318 L319 A320	P249-I316 HydrophobicContact CB-CD1 4.05Å; P249-I316 HydrophobicContact CB-CG1 4.31Å; P249-I316 HydrophobicContact CB-CG2 3.97Å; P249-I316 HydrophobicContact CG-CG2 4.18Å; P249-I316 WeakPolarHBondContact O-CD1 3.3Å; I252-I316 HydrophobicContact CB-CG1 3.97Å; I252-I316 HydrophobicContact CD1-CG1 4.06Å; I252-I316 HydrophobicContact CG2-CD1 4.44Å; I252-I316 HydrophobicContact CG2-CG1 3.78Å; S312-I316 WeakPolarHBondContact O-CB 3.4Å; S312-I316 WeakPolarHBondContact O-CD1 3.45Å; S312-I316 WeakPolarHBondContact O-CG1 3.33Å; S312-I316 PolarHBondContact O-N 2.92Å; E313-I316 PolarHBondContact O-N 3.39Å; I316-R318 VanDerWaalsContact C-N 3.33Å; I316-R318 PolarHBondContact O-N 3.25Å; I316-L319 PolarHBondContact O-N 2.97Å; I316-A320 WeakPolarHBondContact O-CB 3.39Å; I316-A320 PolarHBondContact O-N 2.9Å
317	Q	97.4	Very high	97.2	Very high	140 Å²	140	43.1 Å²	43.1	65%	0.654	23%	0.225	S	C	*	.	H	α-helix	trans	-61.6	-41.3	179.1	-171.6	-178.8	10.1	0	0	111.7	E313 V315 P321	E313-Q317 WeakPolarHBondContact O-CB 3.28Å; E313-Q317 PolarHBondContact O-N 3.29Å; V315-Q317 PolarHBondContact O-N 3.42Å; Q317-P321 WeakPolarHBondContact O-CD 3.33Å
318	R	96.1	Very high	97.2	Very high	56 Å²	56	49.4 Å²	49.4	21%	0.211	25%	0.249	C	C	.	.	H	α-helix	trans	-66.3	-40.1	179	-176.7	64.5	178	121.4	-7.6	112.5	Y58 E63 V287 A314 V315 I316	Y58-R318 HydrophobicContact CE1-CG 4.39Å; Y58-R318 PolarHBondContact OH-NH1 3.05Å; Y58-R318 PolarHBondContact OH-NH2 3.4Å; E63-R318 IonicContact OE1-CZ 3.51Å; E63-R318 IonicContact OE1-NE 3.53Å; E63-R318 IonicContact OE1-NH2 2.69Å; E63-R318 PolarHBondContact OE1-NH2 3.29Å; V287-R318 HydrophobicContact CB-CB 3.97Å; V287-R318 HydrophobicContact CB-CG 4.06Å; V287-R318 HydrophobicContact CG1-CB 4.38Å; V287-R318 HydrophobicContact CG1-CG 4.26Å; A314-R318 WeakPolarHBondContact O-CB 3.43Å; A314-R318 PolarHBondContact O-N 3.03Å; V315-R318 PolarHBondContact O-N 3.41Å; I316-R318 VanDerWaalsContact C-N 3.33Å; I316-R318 PolarHBondContact O-N 3.25Å
319	L	97	Very high	97.1	Very high	0 Å²	0	48.5 Å²	48.5	0%	0	25%	0.245	C	C	.	.	H	α-helix	trans	-87.5	-20	-175.3	-65.3	-178.9	0	0	0	113.7	L55 Y58 I243 I245 I252 V315 I316 I322 R323	L55-L319 HydrophobicContact CD1-CD1 4.47Å; L55-L319 HydrophobicContact CD1-CD2 4.42Å; Y58-L319 HydrophobicContact CD1-CD2 4.41Å; I243-L319 HydrophobicContact CG2-CD1 4.21Å; I245-L319 HydrophobicContact CB-CD2 4.25Å; I245-L319 HydrophobicContact CG2-CD2 4.1Å; I252-L319 HydrophobicContact CD1-CD1 4.06Å; V315-L319 HydrophobicContact CG1-CD1 3.71Å; V315-L319 HydrophobicContact CG1-CG 4.26Å; V315-L319 WeakPolarHBondContact O-CB 3.36Å; V315-L319 WeakPolarHBondContact O-CG 3.44Å; V315-L319 PolarHBondContact O-N 3.18Å; I316-L319 PolarHBondContact O-N 2.97Å; L319-I322 HydrophobicContact CD2-CD1 4.17Å; L319-I322 WeakPolarHBondContact O-CB 3.43Å; L319-I322 PolarHBondContact O-N 3.05Å; L319-I322 VanDerWaalsContact O-N 3.13Å; L319-R323 WeakPolarHBondContact O-CB 3.48Å; L319-R323 PolarHBondContact O-N 3.29Å
320	A	97.4	Very high	96.9	Very high	21 Å²	21	51 Å²	51	17%	0.174	24%	0.244	C	C	.	.	H	α-helix	trans	-49.6	-55.3	-179.4	0	0	0	0	0	114.4	I316 I322 R323 E324	I316-A320 WeakPolarHBondContact O-CB 3.39Å; I316-A320 PolarHBondContact O-N 2.9Å; A320-I322 VanDerWaalsContact C-N 3.26Å; A320-I322 PolarHBondContact O-N 3.02Å; A320-R323 PolarHBondContact O-N 3.19Å; A320-E324 WeakPolarHBondContact O-CG 3.48Å; A320-E324 PolarHBondContact O-N 3.28Å
321	P	97.1	Very high	96.8	Very high	74 Å²	74	53.1 Å²	53.1	48%	0.481	27%	0.267	S	S	.	.	H	α-helix	trans	-64.8	-31.6	-179.5	25.4	-35	0	0	0	112.7	Q317 E325	Q317-P321 WeakPolarHBondContact O-CD 3.33Å; P321-E325 VanDerWaalsContact O-CB 3.32Å; P321-E325 WeakPolarHBondContact O-CB 3.4Å; P321-E325 PolarHBondContact O-N 2.72Å
322	I	96.9	Very high	96.7	Very high	7 Å²	7	57 Å²	57	4%	0.036	29%	0.288	C	S	.	.	H	α-helix	trans	-69.5	-46.1	178.4	-58.8	168.3	0	0	0	109.5	Y58 A107 I245 L319 A320 E325 I326	Y58-I322 HydrophobicContact CD2-CD1 4.43Å; Y58-I322 HydrophobicContact CE1-CD1 4.13Å; Y58-I322 HydrophobicContact CE2-CD1 3.63Å; Y58-I322 VanDerWaalsContact CZ-CD1 3.45Å; Y58-I322 WeakPolarHBondContact OH-CD1 3.41Å; A107-I322 HydrophobicContact CB-CG2 4.08Å; I245-I322 HydrophobicContact CD1-CG2 4.3Å; L319-I322 HydrophobicContact CD2-CD1 4.17Å; L319-I322 WeakPolarHBondContact O-CB 3.43Å; L319-I322 PolarHBondContact O-N 3.05Å; L319-I322 VanDerWaalsContact O-N 3.13Å; A320-I322 VanDerWaalsContact C-N 3.26Å; A320-I322 PolarHBondContact O-N 3.02Å; I322-E325 PolarHBondContact O-N 3.01Å; I322-I326 HydrophobicContact CG2-CD1 3.95Å; I322-I326 HydrophobicContact CG2-CG1 4.48Å; I322-I326 VanDerWaalsContact O-CG1 3.26Å; I322-I326 WeakPolarHBondContact O-CG1 3.43Å; I322-I326 PolarHBondContact O-N 2.95Å
323	R	96.1	Very high	96.5	Very high	24 Å²	24	59.6 Å²	59.6	9%	0.091	30%	0.304	C	S	.	.	H	α-helix	trans	-62.6	-43.8	178.9	-179.9	177.8	59.8	-119.5	-12	111.6	D247 L319 A320 I326 Q327	D247-R323 WeakPolarHBondContact O-CD 3.4Å; D247-R323 PolarHBondContact O-NH1 2.8Å; L319-R323 WeakPolarHBondContact O-CB 3.48Å; L319-R323 PolarHBondContact O-N 3.29Å; A320-R323 PolarHBondContact O-N 3.19Å; R323-I326 PolarHBondContact O-N 2.94Å; R323-Q327 WeakPolarHBondContact O-CG 3.23Å; R323-Q327 PolarHBondContact O-N 3.13Å
324	E	96.9	Very high	96.4	Very high	122 Å²	122	57.1 Å²	57.1	57%	0.57	30%	0.304	S	S	*	.	H	α-helix	trans	-60.9	-44.9	176.4	-73.3	167.9	-165.8	0	0	111.3	A320 Q327 R328	A320-E324 WeakPolarHBondContact O-CG 3.48Å; A320-E324 PolarHBondContact O-N 3.28Å; E324-Q327 PolarHBondContact O-N 3.45Å; E324-R328 PolarHBondContact O-N 3.25Å
325	E	97.3	Very high	96.3	Very high	63 Å²	63	59.9 Å²	59.9	29%	0.294	31%	0.314	S	S	.	.	H	α-helix	trans	-67.7	-38.2	178.4	-178	60	-172.3	0	0	112.5	A107 P321 I322 Q327 R328 L329	A107-E325 HydrophobicContact CB-CB 3.83Å; A107-E325 HydrophobicContact CB-CG 3.68Å; P321-E325 VanDerWaalsContact O-CB 3.32Å; P321-E325 WeakPolarHBondContact O-CB 3.4Å; P321-E325 PolarHBondContact O-N 2.72Å; I322-E325 PolarHBondContact O-N 3.01Å; E325-Q327 VanDerWaalsContact C-N 3.33Å; E325-Q327 PolarHBondContact O-N 3.28Å; E325-R328 PolarHBondContact O-N 3.18Å; E325-R328 IonicContact OE1-CZ 3.44Å; E325-R328 IonicContact OE1-NE 3.41Å; E325-R328 PolarHBondContact OE1-NE 3.11Å; E325-R328 IonicContact OE1-NH2 2.67Å; E325-R328 PolarHBondContact OE1-NH2 2.94Å; E325-R328 IonicContact OE2-CZ 3.62Å; E325-R328 IonicContact OE2-NE 2.77Å; E325-R328 PolarHBondContact OE2-NE 3.38Å; E325-R328 IonicContact OE2-NH2 3.61Å; E325-L329 HydrophobicContact CG-CD1 4.06Å; E325-L329 HydrophobicContact CG-CG 4.48Å; E325-L329 WeakPolarHBondContact O-CB 3.48Å; E325-L329 VanDerWaalsContact O-CG 3.29Å; E325-L329 WeakPolarHBondContact O-CG 3.2Å; E325-L329 PolarHBondContact O-N 3.09Å
326	I	96.5	Very high	96.1	Very high	3 Å²	3	60 Å²	60	2%	0.015	31%	0.314	C	S	.	.	H	α-helix	trans	-59.6	-46.3	171.8	-69.5	169.3	0	0	0	110.3	A107 I245 T246 I322 R323 R328 L329 K330	A107-I326 HydrophobicContact CB-CB 4.45Å; A107-I326 HydrophobicContact CB-CD1 4.29Å; A107-I326 HydrophobicContact CB-CG1 3.41Å; A107-I326 VanDerWaalsContact CB-CG1 3.41Å; I245-I326 HydrophobicContact CD1-CD1 3.64Å; I245-I326 HydrophobicContact CG1-CD1 3.89Å; T246-I326 HydrophobicContact CG2-CB 4.49Å; T246-I326 HydrophobicContact CG2-CD1 3.77Å; T246-I326 HydrophobicContact CG2-CG2 3.95Å; I322-I326 HydrophobicContact CG2-CD1 3.95Å; I322-I326 HydrophobicContact CG2-CG1 4.48Å; I322-I326 VanDerWaalsContact O-CG1 3.26Å; I322-I326 WeakPolarHBondContact O-CG1 3.43Å; I322-I326 PolarHBondContact O-N 2.95Å; R323-I326 PolarHBondContact O-N 2.94Å; I326-R328 VanDerWaalsContact C-N 3.34Å; I326-R328 PolarHBondContact O-N 3.49Å; I326-L329 PolarHBondContact O-N 3.43Å; I326-K330 HydrophobicContact CG2-CD 3.78Å; I326-K330 HydrophobicContact CG2-CG 4.2Å; I326-K330 WeakPolarHBondContact O-CB 3.49Å; I326-K330 VanDerWaalsContact O-CG 3.3Å; I326-K330 WeakPolarHBondContact O-CG 3.13Å; I326-K330 PolarHBondContact O-N 3.43Å
327	Q	95.1	Very high	96	Very high	121 Å²	121	64.1 Å²	64.1	57%	0.565	33%	0.333	S	S	*	.	H	α-helix	trans	-62	-43	179	-74	174.6	-6.5	0	0	111.4	R323 E324 E325 K330 A331	R323-Q327 WeakPolarHBondContact O-CG 3.23Å; R323-Q327 PolarHBondContact O-N 3.13Å; E324-Q327 PolarHBondContact O-N 3.45Å; E325-Q327 VanDerWaalsContact C-N 3.33Å; E325-Q327 PolarHBondContact O-N 3.28Å; Q327-K330 PolarHBondContact O-N 3.18Å; Q327-A331 PolarHBondContact O-N 3.14Å; Q327-A331 VanDerWaalsContact O-N 3.08Å
328	R	96.8	Very high	96	Very high	132 Å²	132	60.1 Å²	60.1	50%	0.498	32%	0.324	S	S	.	.	H	α-helix	trans	-60.2	-48.9	175.9	-169.8	-167.2	70.8	76.6	-1.7	111.7	E324 E325 I326 A331	E324-R328 PolarHBondContact O-N 3.25Å; E325-R328 PolarHBondContact O-N 3.18Å; E325-R328 IonicContact OE1-CZ 3.44Å; E325-R328 IonicContact OE1-NE 3.41Å; E325-R328 PolarHBondContact OE1-NE 3.11Å; E325-R328 IonicContact OE1-NH2 2.67Å; E325-R328 PolarHBondContact OE1-NH2 2.94Å; E325-R328 IonicContact OE2-CZ 3.62Å; E325-R328 IonicContact OE2-NE 2.77Å; E325-R328 PolarHBondContact OE2-NE 3.38Å; E325-R328 IonicContact OE2-NH2 3.61Å; I326-R328 VanDerWaalsContact C-N 3.34Å; I326-R328 PolarHBondContact O-N 3.49Å; R328-A331 WeakPolarHBondContact O-CB 3.38Å; R328-A331 PolarHBondContact O-N 3.37Å
329	L	95.9	Very high	96	Very high	4 Å²	4	59.4 Å²	59.4	2%	0.021	32%	0.324	C	S	.	.	H	α-helix	trans	-64.8	-41	179.9	-73.2	170.4	0	0	0	112	A103 L106 A107 E325 I326 A331 D332 L336	A103-L329 HydrophobicContact CB-CB 4.16Å; A103-L329 HydrophobicContact CB-CD1 4.49Å; L106-L329 HydrophobicContact CB-CD1 3.72Å; L106-L329 HydrophobicContact CD1-CD1 4.28Å; A107-L329 HydrophobicContact CB-CD1 4.43Å; E325-L329 HydrophobicContact CG-CD1 4.06Å; E325-L329 HydrophobicContact CG-CG 4.48Å; E325-L329 WeakPolarHBondContact O-CB 3.48Å; E325-L329 VanDerWaalsContact O-CG 3.29Å; E325-L329 WeakPolarHBondContact O-CG 3.2Å; E325-L329 PolarHBondContact O-N 3.09Å; I326-L329 PolarHBondContact O-N 3.43Å; L329-A331 VanDerWaalsContact C-N 3.25Å; L329-A331 PolarHBondContact O-N 3.46Å; L329-D332 CarbonylContact O-C 3.09Å; L329-D332 PolarHBondContact O-N 2.95Å; L329-L336 HydrophobicContact CB-CD1 4.18Å; L329-L336 HydrophobicContact CB-CD2 4.07Å; L329-L336 HydrophobicContact CB-CG 4.26Å; L329-L336 HydrophobicContact CD1-CD2 4.48Å; L329-L336 HydrophobicContact CD2-CD2 4.09Å; L329-L336 HydrophobicContact CG-CD2 4.45Å; L329-L336 WeakPolarHBondContact O-CD1 3.46Å
330	K	93.9	Very high	96	Very high	96 Å²	96	59.9 Å²	59.9	42%	0.417	33%	0.327	S	S	.	.	H	α-helix	trans	-69.8	-21.2	178.2	-74.3	-174.1	63	159	0	113.6	D100 A103 I326 Q327 D332	D100-K330 WeakPolarHBondContact OD1-CD 3.34Å; D100-K330 WeakPolarHBondContact OD1-CE 3.23Å; D100-K330 IonicContact OD1-NZ 2.69Å; D100-K330 PolarHBondContact OD1-NZ 2.89Å; D100-K330 IonicContact OD2-NZ 3.29Å; A103-K330 HydrophobicContact CB-CG 4.1Å; I326-K330 HydrophobicContact CG2-CD 3.78Å; I326-K330 HydrophobicContact CG2-CG 4.2Å; I326-K330 WeakPolarHBondContact O-CB 3.49Å; I326-K330 VanDerWaalsContact O-CG 3.3Å; I326-K330 WeakPolarHBondContact O-CG 3.13Å; I326-K330 PolarHBondContact O-N 3.43Å; Q327-K330 PolarHBondContact O-N 3.18Å; K330-D332 PolarHBondContact O-N 3.16Å
331	A	95.3	Very high	96	Very high	86 Å²	86	60.8 Å²	60.8	71%	0.711	33%	0.334	S	S	*	.	T	Hydrogen-bonded Turn	trans	-72.3	-16.7	174	0	0	0	0	0	112.7	Q327 R328 L329	Q327-A331 PolarHBondContact O-N 3.14Å; Q327-A331 VanDerWaalsContact O-N 3.08Å; R328-A331 WeakPolarHBondContact O-CB 3.38Å; R328-A331 PolarHBondContact O-N 3.37Å; L329-A331 VanDerWaalsContact C-N 3.25Å; L329-A331 PolarHBondContact O-N 3.46Å
332	D	94.9	Very high	96.1	Very high	82 Å²	82	60.7 Å²	60.7	44%	0.439	33%	0.329	S	S	.	.			trans	-127.6	78	175	-172.4	-6.4	0	0	0	111.3	L329 K330 A334 H335 L336	L329-D332 CarbonylContact O-C 3.09Å; L329-D332 PolarHBondContact O-N 2.95Å; K330-D332 PolarHBondContact O-N 3.16Å; D332-A334 PolarHBondContact O-N 3.23Å; D332-A334 PolarHBondContact OD1-N 3.5Å; D332-H335 HydrophobicContact CB-CB 4.13Å; D332-H335 VanDerWaalsContact CG-CB 3.42Å; D332-H335 PolarHBondContact O-N 3.41Å; D332-H335 PolarHBondContact OD1-N 2.88Å; D332-H335 WeakPolarHBondContact OD2-CB 3.45Å; D332-L336 PolarHBondContact O-N 2.93Å
333	P	93.6	Very high	96.1	Very high	62 Å²	62	60.6 Å²	60.6	40%	0.403	33%	0.33	S	S	.	.	H	α-helix	trans	-59.7	-34	179.3	-24.1	34.6	0	0	0	113.4	H335 L336 E337	P333-H335 VanDerWaalsContact C-N 3.31Å; P333-H335 PolarHBondContact O-N 3.31Å; P333-L336 WeakPolarHBondContact O-CB 3.33Å; P333-L336 PolarHBondContact O-N 3.48Å; P333-L336 VanDerWaalsContact O-N 3.17Å; P333-E337 WeakPolarHBondContact O-CG 3.46Å; P333-E337 PolarHBondContact O-N 3.34Å
334	A	95.8	Very high	96.2	Very high	65 Å²	65	59.6 Å²	59.6	54%	0.537	33%	0.327	S	S	.	.	H	α-helix	trans	-63.5	-38.8	-179.8	0	0	0	0	0	111.5	D332 A338	D332-A334 PolarHBondContact O-N 3.23Å; D332-A334 PolarHBondContact OD1-N 3.5Å; A334-A338 WeakPolarHBondContact O-CB 3.43Å; A334-A338 PolarHBondContact O-N 3.15Å
335	H	95.2	Very high	96.3	Very high	75 Å²	75	59.7 Å²	59.7	35%	0.347	32%	0.322	S	S	.	.	H	α-helix	trans	-63.3	-43.7	172.9	178.9	63.3	0	0	0	112.6	D332 P333 A338 L339	D332-H335 HydrophobicContact CB-CB 4.13Å; D332-H335 VanDerWaalsContact CG-CB 3.42Å; D332-H335 PolarHBondContact O-N 3.41Å; D332-H335 PolarHBondContact OD1-N 2.88Å; D332-H335 WeakPolarHBondContact OD2-CB 3.45Å; P333-H335 VanDerWaalsContact C-N 3.31Å; P333-H335 PolarHBondContact O-N 3.31Å; H335-A338 PolarHBondContact O-N 2.92Å; H335-L339 WeakPolarHBondContact O-CG 3.47Å; H335-L339 PolarHBondContact O-N 2.86Å
336	L	94.9	Very high	96.4	Very high	2 Å²	2	60.3 Å²	60.3	1%	0.01	32%	0.322	C	S	.	.	H	α-helix	trans	-61.7	-44.5	176.7	-79.2	174.4	0	0	0	112.4	A103 L106 L329 D332 P333 A338 L339 L340	A103-L336 HydrophobicContact CB-CD1 3.85Å; A103-L336 HydrophobicContact CB-CD2 4.24Å; L106-L336 HydrophobicContact CD1-CD2 3.54Å; L329-L336 HydrophobicContact CB-CD1 4.18Å; L329-L336 HydrophobicContact CB-CD2 4.07Å; L329-L336 HydrophobicContact CB-CG 4.26Å; L329-L336 HydrophobicContact CD1-CD2 4.48Å; L329-L336 HydrophobicContact CD2-CD2 4.09Å; L329-L336 HydrophobicContact CG-CD2 4.45Å; L329-L336 WeakPolarHBondContact O-CD1 3.46Å; D332-L336 PolarHBondContact O-N 2.93Å; P333-L336 WeakPolarHBondContact O-CB 3.33Å; P333-L336 PolarHBondContact O-N 3.48Å; P333-L336 VanDerWaalsContact O-N 3.17Å; L336-A338 VanDerWaalsContact C-N 3.32Å; L336-A338 PolarHBondContact O-N 3.19Å; L336-L339 PolarHBondContact O-N 3.4Å; L336-L340 PolarHBondContact O-N 3.3Å
337	E	95.8	Very high	96.5	Very high	112 Å²	112	60.2 Å²	60.2	52%	0.523	32%	0.321	S	S	.	.	H	α-helix	trans	-61.7	-41.2	175.4	-72.6	175.6	-178.5	0	0	111.4	L99 P333 L339 L340 A341	L99-E337 HydrophobicContact CD2-CG 3.93Å; P333-E337 WeakPolarHBondContact O-CG 3.46Å; P333-E337 PolarHBondContact O-N 3.34Å; E337-L339 PolarHBondContact O-N 3.46Å; E337-L340 PolarHBondContact O-N 3.32Å; E337-A341 VanDerWaalsContact O-CB 3.27Å; E337-A341 WeakPolarHBondContact O-CB 3.49Å; E337-A341 PolarHBondContact O-N 2.89Å
338	A	97	Very high	96.6	Very high	56 Å²	56	58.8 Å²	58.8	46%	0.463	31%	0.31	S	S	.	.	H	α-helix	trans	-63.8	-40.2	176.4	0	0	0	0	0	112.5	A334 H335 L336 A341 L342	A334-A338 WeakPolarHBondContact O-CB 3.43Å; A334-A338 PolarHBondContact O-N 3.15Å; H335-A338 PolarHBondContact O-N 2.92Å; L336-A338 VanDerWaalsContact C-N 3.32Å; L336-A338 PolarHBondContact O-N 3.19Å; A338-A341 PolarHBondContact O-N 2.88Å; A338-L342 WeakPolarHBondContact O-CB 3.45Å; A338-L342 PolarHBondContact O-N 3.37Å
339	L	96.7	Very high	96.7	Very high	40 Å²	40	58.8 Å²	58.8	21%	0.209	32%	0.316	C	S	.	.	H	α-helix	trans	-64	-45.7	174.9	-73.7	176.9	0	0	0	111.8	L106 P112 H335 L336 E337 L342 G343	L106-L339 HydrophobicContact CD1-CD1 3.73Å; P112-L339 HydrophobicContact CG-CD2 4.38Å; H335-L339 WeakPolarHBondContact O-CG 3.47Å; H335-L339 PolarHBondContact O-N 2.86Å; L336-L339 PolarHBondContact O-N 3.4Å; E337-L339 PolarHBondContact O-N 3.46Å; L339-L342 PolarHBondContact O-N 2.91Å; L339-G343 PolarHBondContact O-N 3.4Å
340	L	96.8	Very high	96.8	Very high	11 Å²	11	61 Å²	61	6%	0.058	33%	0.328	C	S	.	.	H	α-helix	trans	-63.1	-42.7	175.4	-76.2	176	0	0	0	111.6	I79 I98 L99 A102 L117 L336 E337 L342 G343 S344	I79-L340 HydrophobicContact CD1-CD2 4.03Å; I98-L340 HydrophobicContact CG2-CD1 4.36Å; L99-L340 HydrophobicContact CD2-CD1 4.37Å; A102-L340 HydrophobicContact CB-CD1 3.83Å; A102-L340 HydrophobicContact CB-CD2 3.96Å; A102-L340 HydrophobicContact CB-CG 4.05Å; L117-L340 HydrophobicContact CG-CD2 4.39Å; L336-L340 PolarHBondContact O-N 3.3Å; E337-L340 PolarHBondContact O-N 3.32Å; L340-L342 VanDerWaalsContact C-N 3.32Å; L340-L342 PolarHBondContact O-N 3.15Å; L340-G343 PolarHBondContact O-N 3.49Å; L340-S344 WeakPolarHBondContact O-CB 3.3Å; L340-S344 PolarHBondContact O-N 2.94Å; L340-S344 PolarHBondContact O-OG 3.43Å
341	A	97.9	Very high	97	Very high	40 Å²	40	56.4 Å²	56.4	33%	0.331	31%	0.308	S	S	.	.	H	α-helix	trans	-61.9	-40.4	176.9	0	0	0	0	0	111.7	E337 A338 S344 R345	E337-A341 VanDerWaalsContact O-CB 3.27Å; E337-A341 WeakPolarHBondContact O-CB 3.49Å; E337-A341 PolarHBondContact O-N 2.89Å; A338-A341 PolarHBondContact O-N 2.88Å; A341-S344 PolarHBondContact O-N 3.41Å; A341-R345 WeakPolarHBondContact O-CG 3.36Å; A341-R345 PolarHBondContact O-N 3.2Å
342	L	98	Very high	97.2	Very high	72 Å²	72	53.7 Å²	53.7	38%	0.377	29%	0.285	S	S	.	.	H	α-helix	trans	-62.3	-46.6	173.5	176.6	64.2	0	0	0	111.6	A338 L339 L340 R345 R346	A338-L342 WeakPolarHBondContact O-CB 3.45Å; A338-L342 PolarHBondContact O-N 3.37Å; L339-L342 PolarHBondContact O-N 2.91Å; L340-L342 VanDerWaalsContact C-N 3.32Å; L340-L342 PolarHBondContact O-N 3.15Å; L342-R345 PolarHBondContact O-N 3.12Å; L342-R346 PolarHBondContact O-N 2.64Å
343	G	98.4	Very high	97.3	Very high	5 Å²	5	53.1 Å²	53.1	5%	0.052	29%	0.286	C	S	.	.	H	α-helix	trans	-60.3	-45	176	0	0	0	0	0	112.7	I116 L117 L339 L340 R345 R346 A347	I116-G343 WeakPolarHBondContact CG2-O 3.05Å; L117-G343 WeakPolarHBondContact O-CA 3.14Å; L339-G343 PolarHBondContact O-N 3.4Å; L340-G343 PolarHBondContact O-N 3.49Å; G343-R345 VanDerWaalsContact C-N 3.34Å; G343-R345 PolarHBondContact O-N 3.22Å; G343-R346 PolarHBondContact O-N 2.75Å; G343-A347 WeakPolarHBondContact O-CB 3.42Å; G343-A347 PolarHBondContact O-N 3.44Å
344	S	98.5	Very high	97.5	Very high	3 Å²	3	51.2 Å²	51.2	2%	0.021	27%	0.272	C	S	.	.	H	α-helix	trans	-64.3	-35.1	176.7	-67.4	0	0	0	0	112.6	Q119 Q122 L340 A341 R348	Q119-S344 PolarHBondContact N-OG 3.43Å; Q122-S344 WeakPolarHBondContact CB-OG 3.37Å; L340-S344 WeakPolarHBondContact O-CB 3.3Å; L340-S344 PolarHBondContact O-N 2.94Å; L340-S344 PolarHBondContact O-OG 3.43Å; A341-S344 PolarHBondContact O-N 3.41Å; S344-R348 WeakPolarHBondContact O-CB 3.29Å; S344-R348 PolarHBondContact O-N 2.94Å
345	R	98.5	Very high	97.6	Very high	123 Å²	123	48.4 Å²	48.4	46%	0.464	25%	0.248	S	C	.	.	H	α-helix	trans	-62.3	-49.9	171.2	-75.2	-168.7	-57.1	-95.5	2.8	111.6	A341 L342 G343 A347 R348 E349	A341-R345 WeakPolarHBondContact O-CG 3.36Å; A341-R345 PolarHBondContact O-N 3.2Å; L342-R345 PolarHBondContact O-N 3.12Å; G343-R345 VanDerWaalsContact C-N 3.34Å; G343-R345 PolarHBondContact O-N 3.22Å; R345-A347 VanDerWaalsContact C-N 3.31Å; R345-A347 PolarHBondContact O-N 2.92Å; R345-R348 WeakPolarHBondContact O-CB 3.48Å; R345-R348 PolarHBondContact O-N 2.85Å; R345-R348 VanDerWaalsContact O-N 3.1Å; R345-E349 WeakPolarHBondContact O-CG 3.36Å; R345-E349 PolarHBondContact O-N 2.57Å
346	R	98.4	Very high	97.8	Very high	77 Å²	77	49.5 Å²	49.5	29%	0.291	26%	0.256	S	S	.	.	H	α-helix	trans	-62.4	-36.9	178.3	-70.1	175.9	67.2	-166.1	3.2	112.7	P112 I116 L342 G343	P112-R346 PolarHBondContact O-NH1 3.3Å; I116-R346 HydrophobicContact CD1-CB 4.15Å; I116-R346 HydrophobicContact CG1-CB 4.33Å; I116-R346 HydrophobicContact CG2-CB 4.27Å; L342-R346 PolarHBondContact O-N 2.64Å; G343-R346 PolarHBondContact O-N 2.75Å
347	A	98.6	Very high	97.9	Very high	0 Å²	0	52.7 Å²	52.7	0%	0	27%	0.271	C	S	.	.	H	α-helix	trans	-63.4	-46.4	172.4	0	0	0	0	0	110.6	I116 F118 V123 Y176 G343 R345 E349 L350 A351	I116-A347 HydrophobicContact CG2-CB 4.04Å; F118-A347 HydrophobicContact CB-CB 4.22Å; F118-A347 HydrophobicContact CD1-CB 3.98Å; F118-A347 HydrophobicContact CD2-CB 3.76Å; F118-A347 HydrophobicContact CE1-CB 4.25Å; F118-A347 HydrophobicContact CE2-CB 4.05Å; F118-A347 HydrophobicContact CG-CB 3.72Å; F118-A347 HydrophobicContact CZ-CB 4.28Å; V123-A347 HydrophobicContact CG2-CB 3.96Å; Y176-A347 HydrophobicContact CE1-CB 4.24Å; Y176-A347 WeakPolarHBondContact CE1-O 3.11Å; G343-A347 WeakPolarHBondContact O-CB 3.42Å; G343-A347 PolarHBondContact O-N 3.44Å; R345-A347 VanDerWaalsContact C-N 3.31Å; R345-A347 PolarHBondContact O-N 2.92Å; A347-E349 VanDerWaalsContact C-N 3.33Å; A347-E349 PolarHBondContact O-N 3.09Å; A347-L350 WeakPolarHBondContact O-CB 3.48Å; A347-L350 PolarHBondContact O-N 2.93Å; A347-A351 WeakPolarHBondContact O-CB 3.48Å; A347-A351 PolarHBondContact O-N 3.04Å
348	R	98.5	Very high	98	Very high	92 Å²	92	47.3 Å²	47.3	35%	0.347	25%	0.246	S	C	.	.	H	α-helix	trans	-61.3	-38.6	177.8	-161.2	-179.9	-58.7	115.7	-0.1	113.2	Q122 E125 S344 R345 L350 A351 A352	Q122-R348 PolarHBondContact O-NH2 3.19Å; E125-R348 WeakPolarHBondContact OE1-CG 3.45Å; S344-R348 WeakPolarHBondContact O-CB 3.29Å; S344-R348 PolarHBondContact O-N 2.94Å; R345-R348 WeakPolarHBondContact O-CB 3.48Å; R345-R348 PolarHBondContact O-N 2.85Å; R345-R348 VanDerWaalsContact O-N 3.1Å; R348-L350 PolarHBondContact O-N 2.97Å; R348-L350 VanDerWaalsContact O-N 3.16Å; R348-A351 PolarHBondContact O-N 3.37Å; R348-A351 VanDerWaalsContact O-N 3.15Å; R348-A352 HydrophobicContact CG-CB 4.36Å; R348-A352 VanDerWaalsContact O-CB 3.29Å; R348-A352 WeakPolarHBondContact O-CB 3.49Å; R348-A352 PolarHBondContact O-N 3.04Å
349	E	98.3	Very high	98.1	Very high	132 Å²	132	48.6 Å²	48.6	62%	0.617	24%	0.239	S	C	*	.	H	α-helix	trans	-58	-26.5	174.6	-72.8	164.9	-172.9	0	0	113	R345 A347 P353	R345-E349 WeakPolarHBondContact O-CG 3.36Å; R345-E349 PolarHBondContact O-N 2.57Å; A347-E349 VanDerWaalsContact C-N 3.33Å; A347-E349 PolarHBondContact O-N 3.09Å; E349-P353 WeakPolarHBondContact O-CD 3.49Å; E349-P353 WeakPolarHBondContact O-CG 3.37Å
350	L	98.1	Very high	98.1	Very high	50 Å²	50	53.8 Å²	53.8	26%	0.262	26%	0.261	S	S	.	.	H	α-helix	trans	-90.1	-39	173.8	-61	175.7	0	0	0	112.4	L76 I116 Y176 A347 R348	L76-L350 HydrophobicContact CD2-CD1 4.16Å; I116-L350 HydrophobicContact CD1-CD1 3.67Å; Y176-L350 HydrophobicContact CD1-CB 3.86Å; Y176-L350 HydrophobicContact CD1-CD1 4.31Å; Y176-L350 HydrophobicContact CE1-CB 4.15Å; A347-L350 WeakPolarHBondContact O-CB 3.48Å; A347-L350 PolarHBondContact O-N 2.93Å; R348-L350 PolarHBondContact O-N 2.97Å; R348-L350 VanDerWaalsContact O-N 3.16Å
351	A	98.4	Very high	98.2	Very high	0 Å²	0	56.5 Å²	56.5	0%	0	27%	0.271	C	S	.	.	H	α-helix	trans	-77.2	-44	-173.3	0	0	0	0	0	113.6	V123 E125 L175 Y176 A347 R348 M354 L355	V123-A351 HydrophobicContact CG1-CB 3.85Å; E125-A351 HydrophobicContact CB-CB 3.99Å; E125-A351 HydrophobicContact CG-CB 4.12Å; L175-A351 HydrophobicContact CD1-CB 4.13Å; L175-A351 HydrophobicContact CD2-CB 3.68Å; L175-A351 HydrophobicContact CG-CB 3.72Å; Y176-A351 HydrophobicContact CE1-CB 3.92Å; A347-A351 WeakPolarHBondContact O-CB 3.48Å; A347-A351 PolarHBondContact O-N 3.04Å; R348-A351 PolarHBondContact O-N 3.37Å; R348-A351 VanDerWaalsContact O-N 3.15Å; A351-M354 WeakPolarHBondContact O-CB 3.31Å; A351-M354 PolarHBondContact O-N 3.04Å; A351-M354 VanDerWaalsContact O-N 3.16Å; A351-L355 PolarHBondContact O-N 3.14Å
352	A	98.2	Very high	98.2	Very high	28 Å²	28	56 Å²	56	23%	0.231	26%	0.264	C	S	.	.	H	α-helix	trans	-56.4	-54.5	-177.8	0	0	0	0	0	112.9	R348 M354 L355 D356	R348-A352 HydrophobicContact CG-CB 4.36Å; R348-A352 VanDerWaalsContact O-CB 3.29Å; R348-A352 WeakPolarHBondContact O-CB 3.49Å; R348-A352 PolarHBondContact O-N 3.04Å; A352-M354 PolarHBondContact O-N 2.9Å; A352-L355 PolarHBondContact O-N 3.21Å; A352-L355 VanDerWaalsContact O-N 3.12Å; A352-D356 PolarHBondContact O-N 3.27Å
353	P	98.1	Very high	98.1	Very high	71 Å²	71	55.6 Å²	55.6	46%	0.461	28%	0.277	S	S	.	.	H	α-helix	trans	-64.1	-28.9	178.3	25.6	-35.1	0	0	0	112.7	E349 E357	E349-P353 WeakPolarHBondContact O-CD 3.49Å; E349-P353 WeakPolarHBondContact O-CG 3.37Å; P353-E357 PolarHBondContact O-N 3.45Å; P353-E357 VanDerWaalsContact O-N 3.12Å
354	M	97.9	Very high	98	Very high	21 Å²	21	60.2 Å²	60.2	10%	0.103	30%	0.296	C	S	.	.	H	α-helix	trans	-67.1	-45.3	174.3	-168.4	57.4	44.2	0	0	111.4	L175 K177 L208 F209 A351 A352 D356 E357 V358	L175-M354 HydrophobicContact CD1-CB 4.27Å; L175-M354 HydrophobicContact CD1-CG 4.44Å; L175-M354 WeakPolarHBondContact O-CB 3.34Å; L175-M354 VanDerWaalsContact O-CG 3.28Å; L175-M354 WeakPolarHBondContact O-CG 3.4Å; K177-M354 HydrophobicContact CD-CE 3.46Å; K177-M354 VanDerWaalsContact CD-CE 3.46Å; K177-M354 HydrophobicContact CD-SD 4.1Å; K177-M354 WeakPolarHBondContact CE-SD 3.48Å; K177-M354 HydrophobicContact CG-CE 3.82Å; K177-M354 HydrophobicContact CG-SD 4.1Å; L208-M354 HydrophobicContact CD1-SD 4.09Å; L208-M354 HydrophobicContact CD2-SD 4.42Å; L208-M354 HydrophobicContact CG-SD 4.4Å; F209-M354 HydrophobicContact CE1-CG 4.08Å; F209-M354 HydrophobicContact CE1-SD 3.93Å; F209-M354 HydrophobicContact CZ-SD 4.47Å; A351-M354 WeakPolarHBondContact O-CB 3.31Å; A351-M354 PolarHBondContact O-N 3.04Å; A351-M354 VanDerWaalsContact O-N 3.16Å; A352-M354 PolarHBondContact O-N 2.9Å; M354-D356 VanDerWaalsContact C-N 3.34Å; M354-E357 PolarHBondContact O-N 3.38Å; M354-V358 WeakPolarHBondContact O-CG2 3.25Å; M354-V358 PolarHBondContact O-N 2.64Å
355	L	98	Very high	96.9	Very high	6 Å²	6	68.1 Å²	68.1	3%	0.031	35%	0.351	C	S	.	.	H	α-helix	trans	-65.3	-40.1	178.2	-177.4	64.8	0	0	0	110.9	E125 E128 F129 I132 L175 A351 A352 E357 V358 R359	E125-L355 HydrophobicContact CB-CB 4.32Å; E125-L355 HydrophobicContact CB-CD2 3.81Å; E125-L355 HydrophobicContact CG-CB 4.06Å; E125-L355 HydrophobicContact CG-CD2 3.58Å; E125-L355 HydrophobicContact CG-CG 4.49Å; E128-L355 HydrophobicContact CB-CD1 4.45Å; E128-L355 HydrophobicContact CB-CD2 4.01Å; E128-L355 HydrophobicContact CG-CD1 4.27Å; E128-L355 HydrophobicContact CG-CD2 4.09Å; F129-L355 HydrophobicContact CB-CD1 4.12Å; I132-L355 HydrophobicContact CD1-CD1 4.26Å; L175-L355 HydrophobicContact CD1-CB 4.4Å; A351-L355 PolarHBondContact O-N 3.14Å; A352-L355 PolarHBondContact O-N 3.21Å; A352-L355 VanDerWaalsContact O-N 3.12Å; L355-E357 VanDerWaalsContact C-N 3.31Å; L355-E357 PolarHBondContact O-N 2.83Å; L355-V358 CarbonylContact O-C 3.57Å; L355-V358 WeakPolarHBondContact O-CB 3.43Å; L355-V358 PolarHBondContact O-N 3.32Å; L355-V358 VanDerWaalsContact O-N 3.13Å; L355-R359 HydrophobicContact CD1-CG 4.35Å; L355-R359 HydrophobicContact CG-CG 4.19Å; L355-R359 WeakPolarHBondContact O-CB 3.4Å; L355-R359 VanDerWaalsContact O-CG 3.23Å; L355-R359 WeakPolarHBondContact O-CG 3.38Å; L355-R359 PolarHBondContact O-N 3.27Å
356	D	98.1	Very high	96.9	Very high	98 Å²	98	65.4 Å²	65.4	52%	0.524	35%	0.345	S	S	.	.	H	α-helix	trans	-58.3	-43.3	174.6	-70.6	-21.9	0	0	0	111.6	A352 M354 R359 H360	A352-D356 PolarHBondContact O-N 3.27Å; M354-D356 VanDerWaalsContact C-N 3.34Å; D356-R359 PolarHBondContact O-N 3.42Å; D356-H360 WeakPolarHBondContact O-CB 3.33Å; D356-H360 PolarHBondContact O-N 3.18Å
357	E	98.1	Very high	96.8	Very high	69 Å²	69	64.8 Å²	64.8	32%	0.322	35%	0.348	S	S	.	.	H	α-helix	trans	-62.5	-42.7	174.3	-174	173.9	-175.7	0	0	111.7	K177 L208 P353 M354 L355 R361	K177-E357 IonicContact NZ-OE2 2.72Å; L208-E357 HydrophobicContact CD1-CG 4.24Å; L208-E357 WeakPolarHBondContact CD1-OE1 3.41Å; L208-E357 WeakPolarHBondContact CD1-OE2 3.3Å; L208-E357 HydrophobicContact CD2-CG 4.35Å; P353-E357 PolarHBondContact O-N 3.45Å; P353-E357 VanDerWaalsContact O-N 3.12Å; M354-E357 PolarHBondContact O-N 3.38Å; L355-E357 VanDerWaalsContact C-N 3.31Å; L355-E357 PolarHBondContact O-N 2.83Å; E357-R361 WeakPolarHBondContact O-CB 3.45Å; E357-R361 VanDerWaalsContact O-CG 3.3Å; E357-R361 WeakPolarHBondContact O-CG 3.27Å; E357-R361 PolarHBondContact O-N 3.22Å; E357-R361 VanDerWaalsContact O-N 3.07Å; E357-R361 IonicContact OE1-CZ 3.18Å; E357-R361 IonicContact OE1-NE 3.39Å; E357-R361 PolarHBondContact OE1-NE 3.04Å; E357-R361 IonicContact OE1-NH2 3.77Å; E357-R361 PolarHBondContact OE1-NH2 3.13Å
358	V	98.3	Very high	96.7	Very high	0 Å²	0	68.4 Å²	68.4	0%	0	37%	0.368	C	S	.	.	H	α-helix	trans	-61	-48.6	174.6	170	0	0	0	0	111.1	F129 I132 F201 L208 F209 M354 L355 H360 R361 V362	F129-V358 HydrophobicContact CD2-CG1 3.91Å; F129-V358 HydrophobicContact CD2-CG2 4.37Å; F129-V358 HydrophobicContact CE2-CG1 3.82Å; F129-V358 HydrophobicContact CE2-CG2 3.93Å; F129-V358 HydrophobicContact CZ-CG2 4.33Å; I132-V358 HydrophobicContact CD1-CG1 3.84Å; I132-V358 HydrophobicContact CG2-CG1 4.13Å; F201-V358 HydrophobicContact CE2-CG1 3.9Å; F201-V358 HydrophobicContact CZ-CB 4.37Å; F201-V358 HydrophobicContact CZ-CG1 3.97Å; F201-V358 HydrophobicContact CZ-CG2 4.12Å; L208-V358 HydrophobicContact CD2-CG2 3.96Å; F209-V358 HydrophobicContact CE2-CG2 4.09Å; F209-V358 HydrophobicContact CZ-CG2 3.54Å; M354-V358 WeakPolarHBondContact O-CG2 3.25Å; M354-V358 PolarHBondContact O-N 2.64Å; L355-V358 CarbonylContact O-C 3.57Å; L355-V358 WeakPolarHBondContact O-CB 3.43Å; L355-V358 PolarHBondContact O-N 3.32Å; L355-V358 VanDerWaalsContact O-N 3.13Å; V358-H360 VanDerWaalsContact C-N 3.33Å; V358-H360 PolarHBondContact O-N 3.31Å; V358-R361 PolarHBondContact O-N 3.13Å; V358-R361 VanDerWaalsContact O-N 3.16Å; V358-V362 HydrophobicContact CG1-CG1 4.47Å; V358-V362 WeakPolarHBondContact O-CG2 3.18Å; V358-V362 PolarHBondContact O-N 3.32Å
359	R	98.1	Very high	96.6	Very high	83 Å²	83	67 Å²	67	31%	0.313	37%	0.369	S	S	.	.	H	α-helix	trans	-57.4	-46.9	-179.9	-74.9	178	63.1	151.6	-11.2	111	E128 L355 D356 R361 V362 G363 F364 S365	E128-R359 WeakPolarHBondContact OE1-CD 3.41Å; E128-R359 IonicContact OE1-CZ 2.77Å; E128-R359 IonicContact OE1-NE 3.84Å; E128-R359 IonicContact OE1-NH1 3.94Å; E128-R359 PolarHBondContact OE1-NH1 3.29Å; L355-R359 HydrophobicContact CD1-CG 4.35Å; L355-R359 HydrophobicContact CG-CG 4.19Å; L355-R359 WeakPolarHBondContact O-CB 3.4Å; L355-R359 VanDerWaalsContact O-CG 3.23Å; L355-R359 WeakPolarHBondContact O-CG 3.38Å; L355-R359 PolarHBondContact O-N 3.27Å; D356-R359 PolarHBondContact O-N 3.42Å; R359-R361 VanDerWaalsContact C-N 3.35Å; R359-R361 PolarHBondContact O-N 2.87Å; R359-V362 WeakPolarHBondContact O-CG2 3.31Å; R359-V362 PolarHBondContact O-N 3.38Å; R359-G363 PolarHBondContact O-N 3.22Å; R359-G363 VanDerWaalsContact O-N 3.14Å; R359-F364 HydrophobicContact CB-CB 4.18Å; R359-F364 HydrophobicContact CB-CD2 4.27Å; R359-F364 HydrophobicContact CG-CD2 4.07Å; R359-F364 PolarHBondContact O-N 3.43Å; R359-S365 PolarHBondContact NH2-O 2.96Å
360	H	97.8	Very high	96.5	Very high	148 Å²	148	62.9 Å²	62.9	69%	0.685	35%	0.353	S	S	*	.	H	α-helix	trans	-59.4	-46.5	176.4	-177.9	65.6	0	0	0	111.6	D356 V358 V362 G363	D356-H360 WeakPolarHBondContact O-CB 3.33Å; D356-H360 PolarHBondContact O-N 3.18Å; V358-H360 VanDerWaalsContact C-N 3.33Å; V358-H360 PolarHBondContact O-N 3.31Å; H360-V362 PolarHBondContact O-N 3.09Å; H360-G363 PolarHBondContact O-N 3.1Å; H360-G363 VanDerWaalsContact O-N 3.09Å
361	R	97.7	Very high	96.4	Very high	69 Å²	69	63.8 Å²	63.8	26%	0.26	36%	0.36	S	S	.	.	H	α-helix	trans	-65.7	-33.6	-179.3	-76.5	-178.9	-173	-133	12.5	113.9	F201 Y205 G206 E207 E357 V358 R359 G363	F201-R361 HydrophobicContact CZ-CB 4.45Å; Y205-R361 VanDerWaalsContact CD1-O 3.27Å; Y205-R361 WeakPolarHBondContact CD1-O 3.38Å; Y205-R361 PolarHBondContact O-NH1 3.2Å; G206-R361 VanDerWaalsContact C-NH1 3.27Å; G206-R361 PolarHBondContact O-NH1 2.64Å; E207-R361 PolarHBondContact O-NH1 3.24Å; E207-R361 PolarHBondContact O-NH2 3.26Å; E207-R361 VanDerWaalsContact O-NH2 3.16Å; E357-R361 WeakPolarHBondContact O-CB 3.45Å; E357-R361 VanDerWaalsContact O-CG 3.3Å; E357-R361 WeakPolarHBondContact O-CG 3.27Å; E357-R361 PolarHBondContact O-N 3.22Å; E357-R361 VanDerWaalsContact O-N 3.07Å; E357-R361 IonicContact OE1-CZ 3.18Å; E357-R361 IonicContact OE1-NE 3.39Å; E357-R361 PolarHBondContact OE1-NE 3.04Å; E357-R361 IonicContact OE1-NH2 3.77Å; E357-R361 PolarHBondContact OE1-NH2 3.13Å; V358-R361 PolarHBondContact O-N 3.13Å; V358-R361 VanDerWaalsContact O-N 3.16Å; R359-R361 VanDerWaalsContact C-N 3.35Å; R359-R361 PolarHBondContact O-N 2.87Å; R361-G363 VanDerWaalsContact C-N 3.27Å
362	V	97.3	Very high	96.2	Very high	30 Å²	30	68.4 Å²	68.4	18%	0.182	39%	0.385	C	S	.	.	T	Hydrogen-bonded Turn	trans	-84	-1.7	174.7	-55.9	0	0	0	0	113.3	I132 F201 Y205 V358 R359 H360 F364	I132-V362 HydrophobicContact CG2-CG1 4Å; F201-V362 HydrophobicContact CE2-CG1 4.09Å; F201-V362 HydrophobicContact CZ-CG1 4.44Å; Y205-V362 HydrophobicContact CD1-CG1 4.47Å; Y205-V362 HydrophobicContact CD2-CG1 4.37Å; Y205-V362 HydrophobicContact CE1-CB 4.49Å; Y205-V362 HydrophobicContact CE1-CG1 4.16Å; Y205-V362 HydrophobicContact CE2-CG1 4.04Å; V358-V362 HydrophobicContact CG1-CG1 4.47Å; V358-V362 WeakPolarHBondContact O-CG2 3.18Å; V358-V362 PolarHBondContact O-N 3.32Å; R359-V362 WeakPolarHBondContact O-CG2 3.31Å; R359-V362 PolarHBondContact O-N 3.38Å; H360-V362 PolarHBondContact O-N 3.09Å; V362-F364 HydrophobicContact CG2-CD1 4.19Å; V362-F364 HydrophobicContact CG2-CD2 3.6Å; V362-F364 HydrophobicContact CG2-CE1 4.18Å; V362-F364 HydrophobicContact CG2-CE2 3.59Å; V362-F364 HydrophobicContact CG2-CG 3.91Å; V362-F364 HydrophobicContact CG2-CZ 3.88Å
363	G	96.5	Very high	96.1	Very high	63 Å²	63	71.5 Å²	71.5	65%	0.649	40%	0.397	S	S	*	.	T	Hydrogen-bonded Turn	trans	87.5	20.6	173.8	0	0	0	0	0	115.2	R359 H360 R361	R359-G363 PolarHBondContact O-N 3.22Å; R359-G363 VanDerWaalsContact O-N 3.14Å; H360-G363 PolarHBondContact O-N 3.1Å; H360-G363 VanDerWaalsContact O-N 3.09Å; R361-G363 VanDerWaalsContact C-N 3.27Å
364	F	95.9	Very high	95.9	Very high	102 Å²	102	71.5 Å²	71.5	45%	0.447	39%	0.392	S	S	.	.			trans	-78.6	146.3	170.5	-59.2	-23.6	0	0	0	111	I132 R359 V362	I132-F364 HydrophobicContact CD1-CE2 4.02Å; I132-F364 HydrophobicContact CG1-CE2 4.11Å; R359-F364 HydrophobicContact CB-CB 4.18Å; R359-F364 HydrophobicContact CB-CD2 4.27Å; R359-F364 HydrophobicContact CG-CD2 4.07Å; R359-F364 PolarHBondContact O-N 3.43Å; V362-F364 HydrophobicContact CG2-CD1 4.19Å; V362-F364 HydrophobicContact CG2-CD2 3.6Å; V362-F364 HydrophobicContact CG2-CE1 4.18Å; V362-F364 HydrophobicContact CG2-CE2 3.59Å; V362-F364 HydrophobicContact CG2-CG 3.91Å; V362-F364 HydrophobicContact CG2-CZ 3.88Å
365	S	77.2	Confident	95.7	Very high	169 Å²	169	76.1 Å²	76.1	100%	1.182	42%	0.418	S	S	*	.			trans	-77.3	0	178.7	59.1	0	0	0	0	113.4	R359	R359-S365 PolarHBondContact NH2-O 2.96Å

Retrieved 365 of 365 residues in 406.8 ms (Link to these results)

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