A0A077ZIJ4_TRITR Loading...

Malonyl coenzyme A acyl carrier protein transacyl ase

AlphaFold DB , UniProt , Accession A0A077ZIJ4, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 394 aa.

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(Predicted Aligned Error values between residue pairs)

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Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	41.2	Very low	37.8	Very low	240 Å²	240	151.5 Å²	151.5	100%	1.182	87%	0.867	S	S	*	*				0	130.9	0	-103.5	-178	-96	0	0	107.2
2	V	43.7	Very low	37.6	Very low	152 Å²	152	150.3 Å²	150.3	92%	0.921	86%	0.864	S	S	*	*			trans	70.7	110.2	-166.3	-157.8	0	0	0	0	113.5
3	G	34	Very low	37.5	Very low	65 Å²	65	144.7 Å²	144.7	67%	0.67	86%	0.86	S	S	*	*			trans	-117.6	163.9	-175.8	0	0	0	0	0	112.5
4	F	44.9	Very low	37	Very low	220 Å²	220	142.4 Å²	142.4	97%	0.965	85%	0.854	S	S	*	*			trans	-134.9	127.3	154.6	-104.9	-88.8	0	0	0	108.6
5	S	37.6	Very low	36.8	Very low	112 Å²	112	148.5 Å²	148.5	78%	0.783	86%	0.857	S	S	*	*			trans	-92.9	135.9	-170.5	171.2	0	0	0	0	111.2
6	A	35.3	Very low	36.5	Very low	81 Å²	81	146.6 Å²	146.6	67%	0.669	85%	0.848	S	S	*	*			trans	22.7	133.3	143.9	0	0	0	0	0	121.3
7	L	38.3	Very low	36.2	Very low	178 Å²	178	149.6 Å²	149.6	93%	0.932	85%	0.849	S	S	*	*				-156	115.7	119.5	-110.6	130.3	0	0	0	110.8
8	R	32.1	Very low	36	Very low	245 Å²	245	149.2 Å²	149.2	93%	0.925	84%	0.842	S	S	*	*			trans	-107.8	128.5	165.7	-100.5	-173.7	175.2	-168	-0.3	107.6
9	C	37.6	Very low	35.8	Very low	130 Å²	130	146.1 Å²	146.1	88%	0.878	84%	0.837	S	S	*	*			trans	-168	112.3	152.5	-118.7	0	0	0	0	103.8
10	G	32.6	Very low	35.4	Very low	66 Å²	66	145.8 Å²	145.8	68%	0.68	83%	0.832	S	S	*	*				87	97.1	54.2	0	0	0	0	0	107.6
11	L	38.1	Very low	35.3	Very low	177 Å²	177	146.9 Å²	146.9	93%	0.927	84%	0.836	S	S	*	*			trans	-174.3	129.5	147.8	-97.8	162.2	0	0	0	110.6
12	T	36.4	Very low	34.7	Very low	137 Å²	137	146.5 Å²	146.5	84%	0.84	82%	0.821	S	S	*	*			trans	-73.4	147.5	-178.6	45.8	0	0	0	0	112.9
13	G	35.5	Very low	34.2	Very low	78 Å²	78	144 Å²	144	80%	0.804	82%	0.816	S	S	*	*			trans	-176.3	85	169.7	0	0	0	0	0	113.4
14	S	30.9	Very low	34.1	Very low	112 Å²	112	145 Å²	145	78%	0.783	82%	0.819	S	S	*	*			trans	-66.7	129.1	164.6	168.7	0	0	0	0	109.9
15	R	34.1	Very low	33.2	Very low	235 Å²	235	139.5 Å²	139.5	89%	0.887	81%	0.813	S	S	*	*			trans	-154	110.7	152.1	-99.8	-177.9	-169.5	-160	0.6	111
16	T	31.6	Very low	32.8	Very low	117 Å²	117	145.2 Å²	145.2	72%	0.718	82%	0.818	S	S	*	*			trans	-56.3	132.7	165.3	-34.9	0	0	0	0	110.9	I18	T16-I18 HydrophobicContact CG2-CG1 4.45Å
17	F	32.2	Very low	32.4	Very low	198 Å²	198	150 Å²	150	87%	0.868	83%	0.826	S	S	*	*			trans	-110.7	106.4	163.3	-104.6	-90	0	0	0	108.9
18	I	31.4	Very low	31.9	Very low	142 Å²	142	152 Å²	152	73%	0.728	82%	0.822	S	S	*	*			trans	-107.6	118.8	156.3	-67.5	172.9	0	0	0	105	T16 L20	T16-I18 HydrophobicContact CG2-CG1 4.45Å; I18-L20 HydrophobicContact CG2-CD1 4.31Å
19	A	33.2	Very low	31.6	Very low	90 Å²	90	146.5 Å²	146.5	74%	0.744	82%	0.815	S	S	*	*			trans	-128.3	101.5	164.6	0	0	0	0	0	108
20	L	28	Very low	31.2	Very low	141 Å²	141	149 Å²	149	74%	0.738	81%	0.811	S	S	*	*			trans	-65.8	136.8	156.2	-93.3	111.4	0	0	0	108.4	I18	I18-L20 HydrophobicContact CG2-CD1 4.31Å
21	N	31.9	Very low	30.9	Very low	169 Å²	169	150 Å²	150	90%	0.904	81%	0.813	S	S	*	*			trans	-143.3	112.3	147.9	-117.2	-20.1	0	0	0	110.6
22	R	28.6	Very low	30.8	Very low	231 Å²	231	148 Å²	148	87%	0.872	81%	0.809	S	S	*	*			trans	-88.1	127	163.1	-85.5	-180	167.3	-174	-3	108
23	A	33.3	Very low	30.5	Very low	100 Å²	100	150.2 Å²	150.2	83%	0.826	81%	0.809	S	S	*	*			trans	179.1	148.5	154.4	0	0	0	0	0	107
24	A	32.3	Very low	30.3	Very low	87 Å²	87	158.6 Å²	158.6	72%	0.719	82%	0.817	S	S	*	*			cis	-165.3	141.8	-17.2	0	0	0	0	0	103.5	R26	A24-R26 PolarHBondContact O-N 2.96Å
25	A	25.6	Very low	30.1	Very low	103 Å²	103	157.1 Å²	157.1	85%	0.851	82%	0.819	S	S	*	*			trans	-63.7	129.7	170.5	0	0	0	0	0	110
26	R	31.1	Very low	29.9	Very low	232 Å²	232	149.2 Å²	149.2	88%	0.875	81%	0.811	S	S	*	*			trans	-144.2	127.3	156.1	-76	-164.5	172.6	-166	-3	110.3	A24	A24-R26 PolarHBondContact O-N 2.96Å
27	Q	25.7	Very low	29.5	Very low	183 Å²	183	155.6 Å²	155.6	86%	0.855	82%	0.822	S	S	*	*			trans	-57	143.2	174.1	-68.3	159	-41.4	0	0	111.4
28	W	27.9	Very low	29.3	Very low	220 Å²	220	155.2 Å²	155.2	83%	0.833	82%	0.82	S	S	*	*			trans	-124.3	105.8	153.6	-80.4	87.9	0	0	0	108.2	F30	W28-F30 HydrophobicContact CE3-CD2 4.2Å; W28-F30 AromaticContact CE3-CE2 3.81Å; W28-F30 HydrophobicContact CE3-CE2 3.81Å; W28-F30 AromaticContact CZ3-CE2 3.9Å; W28-F30 HydrophobicContact CZ3-CE2 3.9Å
29	T	25.1	Very low	29	Very low	128 Å²	128	154.1 Å²	154.1	79%	0.785	83%	0.825	S	S	*	*			trans	-82.8	122.5	159.3	36.7	0	0	0	0	108.3
30	F	30.5	Very low	28.7	Very low	182 Å²	182	159.7 Å²	159.7	80%	0.798	83%	0.828	S	S	*	*			trans	-119.2	115.1	154.2	-101.2	-86.3	0	0	0	107.9	W28	W28-F30 HydrophobicContact CE3-CD2 4.2Å; W28-F30 AromaticContact CE3-CE2 3.81Å; W28-F30 HydrophobicContact CE3-CE2 3.81Å; W28-F30 AromaticContact CZ3-CE2 3.9Å; W28-F30 HydrophobicContact CZ3-CE2 3.9Å
31	A	26.3	Very low	28.6	Very low	87 Å²	87	158.2 Å²	158.2	72%	0.719	83%	0.829	S	S	*	*			trans	-91.1	125.9	168.2	0	0	0	0	0	108.1
32	T	34.5	Very low	28.5	Very low	136 Å²	136	153.6 Å²	153.6	83%	0.834	82%	0.815	S	S	*	*			trans	-129.6	119.6	152.1	45.2	0	0	0	0	108.1
33	H	30.3	Very low	28.5	Very low	184 Å²	184	148.8 Å²	148.8	85%	0.852	81%	0.811	S	S	*	*			trans	-63.7	125	170.4	-87.9	29.8	0	0	0	109.7
34	W	31.7	Very low	28.3	Very low	254 Å²	254	150 Å²	150	96%	0.962	81%	0.808	S	S	*	*			trans	-153.9	117.4	138.2	-104.8	90.8	0	0	0	108.1
35	G	27.6	Very low	28.2	Very low	81 Å²	81	150.5 Å²	150.5	84%	0.835	81%	0.807	S	S	*	*			trans	-73.9	130.6	-179.9	0	0	0	0	0	111.4
36	G	28.3	Very low	28.5	Very low	69 Å²	69	150.5 Å²	150.5	71%	0.711	80%	0.796	S	S	*	*			trans	-160	101	167.4	0	0	0	0	0	108.6	F38	G36-F38 PolarHBondContact O-N 2.79Å
37	R	24	Very low	28.3	Very low	251 Å²	251	146.3 Å²	146.3	95%	0.947	79%	0.791	S	S	*	*			trans	-68.5	113.4	168.4	-78.1	-179	178	-140.6	0.4	107.8
38	F	28.1	Very low	28.8	Very low	190 Å²	190	141.7 Å²	141.7	83%	0.833	78%	0.775	S	S	*	*			trans	-128.7	109.6	156.4	-91.5	-84	0	0	0	108.8	G36 Y40	G36-F38 PolarHBondContact O-N 2.79Å; F38-Y40 PolarHBondContact O-N 2.78Å
39	S	24.3	Very low	29.1	Very low	118 Å²	118	137.3 Å²	137.3	83%	0.825	77%	0.768	S	S	*	*			trans	-72.4	112.3	161.7	48.5	0	0	0	0	108
40	Y	28.5	Very low	29.6	Very low	208 Å²	208	136.7 Å²	136.7	82%	0.816	77%	0.766	S	S	*	*			trans	-111.9	97.5	162.7	-128.8	-90.8	0	0	0	108.1	F38 A42	F38-Y40 PolarHBondContact O-N 2.78Å; Y40-A42 HydrophobicContact CD1-CB 4.29Å
41	S	25	Very low	30	Very low	109 Å²	109	131.1 Å²	131.1	76%	0.762	75%	0.747	S	S	*	*			trans	-84.3	110.3	159.4	68.1	0	0	0	0	107.4
42	A	30.5	Very low	30.5	Very low	73 Å²	73	135.3 Å²	135.3	60%	0.603	75%	0.752	S	S	*	*			trans	-122.9	74.9	162.7	0	0	0	0	0	107.9	Y40 T44	Y40-A42 HydrophobicContact CD1-CB 4.29Å; A42-T44 VanDerWaalsContact C-N 3.31Å; A42-T44 PolarHBondContact O-N 3.02Å
43	T	27.1	Very low	30.4	Very low	129 Å²	129	137 Å²	137	79%	0.791	75%	0.75	S	S	*	*			trans	-70.7	91.4	154.6	31.4	0	0	0	0	107.8
44	T	31.1	Very low	30.9	Very low	125 Å²	125	131.8 Å²	131.8	77%	0.767	73%	0.728	S	S	*	*			trans	-101.4	79.8	151.7	40.8	0	0	0	0	107.3	A42 V46	A42-T44 VanDerWaalsContact C-N 3.31Å; A42-T44 PolarHBondContact O-N 3.02Å; T44-V46 VanDerWaalsContact C-N 3.3Å; T44-V46 PolarHBondContact O-N 3.2Å
45	S	28.4	Very low	31	Very low	98 Å²	98	128 Å²	128	69%	0.685	72%	0.721	S	S	*	*			trans	-64.8	97.2	158.6	52.4	0	0	0	0	107.1	N47	S45-N47 PolarHBondContact O-N 3.31Å
46	V	32.4	Very low	31.4	Very low	104 Å²	104	131.8 Å²	131.8	63%	0.63	72%	0.717	S	S	*	*			trans	-64.5	107.3	158.9	-179.4	0	0	0	0	104.9	T44 V48	T44-V46 VanDerWaalsContact C-N 3.3Å; T44-V46 PolarHBondContact O-N 3.2Å; V46-V48 HydrophobicContact CG1-CG2 4.24Å; V46-V48 PolarHBondContact O-N 3.41Å
47	N	27.9	Very low	31.6	Very low	143 Å²	143	131.6 Å²	131.6	77%	0.765	71%	0.705	S	S	*	*			trans	-60.8	84.8	165.2	-93.4	-14.1	0	0	0	107.4	S45 N49	S45-N47 PolarHBondContact O-N 3.31Å; N47-N49 VanDerWaalsContact C-N 3.32Å; N47-N49 PolarHBondContact O-N 2.88Å
48	V	35.1	Very low	31.8	Very low	86 Å²	86	126 Å²	126	52%	0.521	70%	0.701	S	S	.	*			trans	-71	103.3	152.2	-173.1	0	0	0	0	102.8	V46 P50	V46-V48 HydrophobicContact CG1-CG2 4.24Å; V46-V48 PolarHBondContact O-N 3.41Å; V48-P50 VanDerWaalsContact O-N 3.17Å
49	N	33.7	Very low	32.3	Very low	129 Å²	129	127.2 Å²	127.2	69%	0.69	70%	0.7	S	S	*	*			trans	-45.4	129.4	171.9	-86.6	-16.2	0	0	0	107.3	N47 V51	N47-N49 VanDerWaalsContact C-N 3.32Å; N47-N49 PolarHBondContact O-N 2.88Å; N49-V51 PolarHBondContact O-N 3.44Å; N49-V51 VanDerWaalsContact O-N 3.14Å
50	P	36.2	Very low	33	Very low	115 Å²	115	133 Å²	133	75%	0.747	70%	0.704	S	S	*	*			trans	-50.9	130.3	174.1	21.2	-29.2	0	0	0	106.5	V48 E52	V48-P50 VanDerWaalsContact O-N 3.17Å; P50-E52 PolarHBondContact O-N 3.35Å
51	V	39.1	Very low	33.6	Very low	65 Å²	65	125.2 Å²	125.2	39%	0.394	69%	0.686	S	S	.	*			trans	-49.7	113.1	172.3	-179.6	0	0	0	0	104.9	N49 E53	N49-V51 PolarHBondContact O-N 3.44Å; N49-V51 VanDerWaalsContact O-N 3.14Å; V51-E53 PolarHBondContact O-N 3.21Å; V51-E53 VanDerWaalsContact O-N 3.1Å
52	E	36.7	Very low	35	Very low	175 Å²	175	122 Å²	122	82%	0.818	66%	0.66	S	S	*	*			trans	-47.5	124.7	168.1	-81.1	178.3	160.6	0	0	105.7	P50 I54	P50-E52 PolarHBondContact O-N 3.35Å; E52-I54 PolarHBondContact O-N 3.49Å
53	E	33.6	Very low	36.2	Very low	170 Å²	170	121.2 Å²	121.2	79%	0.794	65%	0.648	S	S	*	*			trans	-44.5	118.2	173.3	-90.5	179.3	151.8	0	0	107	V51 E55	V51-E53 PolarHBondContact O-N 3.21Å; V51-E53 VanDerWaalsContact O-N 3.1Å; E53-E55 PolarHBondContact O-N 3.26Å
54	I	40.3	Very low	37.8	Very low	75 Å²	75	115.3 Å²	115.3	39%	0.385	61%	0.611	S	S	.	*			trans	-69.7	85	174.8	-59	173.8	0	0	0	104.5	E52 E56	E52-I54 PolarHBondContact O-N 3.49Å; I54-E56 VanDerWaalsContact C-N 3.29Å; I54-E56 HydrophobicContact CG2-CG 4.34Å; I54-E56 PolarHBondContact O-N 3.36Å
55	E	34	Very low	39.3	Very low	174 Å²	174	111.7 Å²	111.7	81%	0.813	59%	0.587	S	S	*	*			trans	-63.6	99.3	161.8	-88.6	-166.1	153.4	0	0	106.3	E53 S57	E53-E55 PolarHBondContact O-N 3.26Å; E55-S57 PolarHBondContact O-N 3.48Å
56	E	36.3	Very low	40.7	Very low	161 Å²	161	112.4 Å²	112.4	75%	0.752	58%	0.58	S	S	*	*			trans	-64.4	75.6	161.6	-75.8	-176.6	165.3	0	0	108.3	I54	I54-E56 VanDerWaalsContact C-N 3.29Å; I54-E56 HydrophobicContact CG2-CG 4.34Å; I54-E56 PolarHBondContact O-N 3.36Å
57	S	30.6	Very low	42	Very low	66 Å²	66	112.8 Å²	112.8	46%	0.462	57%	0.57	S	S	.	*			trans	-64.1	125.5	163.3	128.6	0	0	0	0	107.2	E55 R59	E55-S57 PolarHBondContact O-N 3.48Å; S57-R59 PolarHBondContact O-N 3.48Å
58	P	29.4	Very low	43.5	Very low	133 Å²	133	107.2 Å²	107.2	86%	0.864	54%	0.539	S	S	*	.			trans	-74.6	76.7	178.3	31.2	-32.8	0	0	0	109.3
59	R	39.1	Very low	44.4	Very low	216 Å²	216	111.1 Å²	111.1	82%	0.815	55%	0.549	S	S	*	.	S	Bend	trans	-123.3	97.7	169.3	-70.9	-170.8	-156.2	-143.7	5.9	108.1	S57	S57-R59 PolarHBondContact O-N 3.48Å
60	R	38.5	Very low	45.4	Very low	240 Å²	240	110.7 Å²	110.7	91%	0.906	55%	0.546	S	S	*	.	S	Bend	trans	52.3	108.9	-170.8	-72.9	-178.4	-163.9	179.4	4.7	112.3	D62	R60-D62 PolarHBondContact O-N 2.94Å
61	G	40	Very low	46.4	Very low	43 Å²	43	106.3 Å²	106.3	44%	0.443	52%	0.516	S	S	.	.			trans	-48.3	135.3	163	0	0	0	0	0	108.6	V63	G61-V63 PolarHBondContact O-N 3.16Å
62	D	55.5	Low	47.2	Very low	42 Å²	42	111.5 Å²	111.5	23%	0.225	53%	0.533	C	S	.	.			trans	-52	118.4	174.5	-172	-20.8	0	0	0	106.8	R60 W64 D65 E66	R60-D62 PolarHBondContact O-N 2.94Å; D62-W64 PolarHBondContact O-N 2.73Å; D62-W64 WeakPolarHBondContact OD1-CB 3.44Å; D62-W64 PolarHBondContact OD1-N 2.93Å; D62-D65 HydrophobicContact CB-CB 4.35Å; D62-D65 PolarHBondContact O-N 2.75Å; D62-E66 PolarHBondContact O-N 3.1Å
63	V	55.1	Low	48	Very low	56 Å²	56	105.7 Å²	105.7	34%	0.339	51%	0.511	S	S	.	.	H	α-helix	trans	-53.1	-28.8	-174.9	175.5	0	0	0	0	109.9	G61 R67	G61-V63 PolarHBondContact O-N 3.16Å; V63-R67 WeakPolarHBondContact O-CB 3.49Å; V63-R67 VanDerWaalsContact O-CG 3.24Å; V63-R67 WeakPolarHBondContact O-CG 3.34Å; V63-R67 PolarHBondContact O-N 2.87Å
64	W	60.4	Low	48.9	Very low	5 Å²	5	102.8 Å²	102.8	2%	0.019	50%	0.504	C	S	.	.	H	α-helix	trans	-66.2	-47.9	176	-132.5	79.4	0	0	0	112.8	D62 E66 R67 Q68 M109 L148 E152 V180 F187	D62-W64 PolarHBondContact O-N 2.73Å; D62-W64 WeakPolarHBondContact OD1-CB 3.44Å; D62-W64 PolarHBondContact OD1-N 2.93Å; W64-E66 VanDerWaalsContact C-N 3.33Å; W64-E66 PolarHBondContact O-N 3.32Å; W64-R67 PolarHBondContact O-N 3.39Å; W64-Q68 HydrophobicContact CE3-CG 3.94Å; W64-Q68 HydrophobicContact CZ3-CG 3.99Å; W64-Q68 WeakPolarHBondContact O-CG 3.33Å; W64-Q68 PolarHBondContact O-N 3.42Å; W64-Q68 VanDerWaalsContact O-N 3.12Å; W64-M109 HydrophobicContact CG-CG 4.42Å; W64-M109 HydrophobicContact CZ2-CE 3.98Å; W64-M109 HydrophobicContact CZ2-SD 4.47Å; W64-M109 PolarHBondContact NE1-SD 3.29Å; W64-L148 HydrophobicContact CH2-CB 4.24Å; W64-L148 HydrophobicContact CH2-CD1 4.26Å; W64-L148 HydrophobicContact CH2-CD2 3.82Å; W64-L148 HydrophobicContact CH2-CG 4.34Å; W64-L148 HydrophobicContact CZ2-CB 4.11Å; W64-L148 HydrophobicContact CZ2-CD2 4.48Å; W64-L148 HydrophobicContact CZ3-CD1 4.49Å; W64-E152 HydrophobicContact CZ2-CG 4.19Å; W64-E152 WeakPolarHBondContact CZ2-OE1 3.33Å; W64-E152 PolarHBondContact NE1-OE1 3.05Å; W64-V180 HydrophobicContact CE3-CG1 3.93Å; W64-V180 HydrophobicContact CH2-CG1 3.98Å; W64-V180 HydrophobicContact CZ3-CG1 3.23Å; W64-F187 HydrophobicContact CB-CB 4.46Å; W64-F187 HydrophobicContact CD2-CB 4.46Å; W64-F187 HydrophobicContact CE3-CB 4.07Å
65	D	63.3	Low	49.4	Very low	49 Å²	49	103.9 Å²	103.9	26%	0.262	52%	0.517	S	S	.	.	H	α-helix	trans	-66	-34	179.7	-73.5	-11.2	0	0	0	112.2	D62 S186 F187	D62-D65 HydrophobicContact CB-CB 4.35Å; D62-D65 PolarHBondContact O-N 2.75Å; D65-S186 VanDerWaalsContact OD1-CA 3.26Å; D65-S186 WeakPolarHBondContact OD1-CA 3.38Å; D65-S186 VanDerWaalsContact OD1-CB 3.3Å; D65-S186 WeakPolarHBondContact OD1-CB 3.41Å; D65-S186 WeakPolarHBondContact OD2-CB 3.43Å; D65-F187 PolarHBondContact OD1-N 2.94Å
66	E	58.2	Low	50.2	Low	114 Å²	114	101.9 Å²	101.9	53%	0.533	51%	0.507	S	S	.	.	H	α-helix	trans	-68.9	-37.6	175.3	-70.1	-171.1	169.9	0	0	112.1	D62 W64 Q68 K69	D62-E66 PolarHBondContact O-N 3.1Å; W64-E66 VanDerWaalsContact C-N 3.33Å; W64-E66 PolarHBondContact O-N 3.32Å; E66-Q68 VanDerWaalsContact C-N 3.33Å; E66-Q68 PolarHBondContact O-N 3.16Å; E66-K69 PolarHBondContact O-N 3.27Å
67	R	59.6	Low	51.1	Low	111 Å²	111	100.9 Å²	100.9	42%	0.419	52%	0.515	S	S	.	.	H	α-helix	trans	-71.8	-25.9	178.8	-75.6	175.6	176	-155	0.6	113.4	V63 W64 K69	V63-R67 WeakPolarHBondContact O-CB 3.49Å; V63-R67 VanDerWaalsContact O-CG 3.24Å; V63-R67 WeakPolarHBondContact O-CG 3.34Å; V63-R67 PolarHBondContact O-N 2.87Å; W64-R67 PolarHBondContact O-N 3.39Å; R67-K69 PolarHBondContact O-N 2.99Å
68	Q	59.2	Low	52.5	Low	26 Å²	26	102.2 Å²	102.2	12%	0.121	53%	0.53	C	S	.	.	H	α-helix	trans	-65.1	-24.9	176.8	-69	-122.5	-58.9	0	0	113.8	W64 E66 I70 L71 V180 F181 G183	W64-Q68 HydrophobicContact CE3-CG 3.94Å; W64-Q68 HydrophobicContact CZ3-CG 3.99Å; W64-Q68 WeakPolarHBondContact O-CG 3.33Å; W64-Q68 PolarHBondContact O-N 3.42Å; W64-Q68 VanDerWaalsContact O-N 3.12Å; E66-Q68 VanDerWaalsContact C-N 3.33Å; E66-Q68 PolarHBondContact O-N 3.16Å; Q68-I70 PolarHBondContact O-N 3.44Å; Q68-L71 PolarHBondContact O-N 3.26Å; Q68-V180 PolarHBondContact NE2-O 3.28Å; Q68-V180 PolarHBondContact OE1-O 3.16Å; Q68-F181 PolarHBondContact NE2-O 3.35Å; Q68-G183 VanDerWaalsContact OE1-CA 3.27Å
69	K	54.2	Low	54	Low	168 Å²	168	99 Å²	99	73%	0.73	51%	0.508	S	S	*	.	T	Hydrogen-bonded Turn	trans	-65.8	-1.5	-177.9	-65.4	177.1	-176.7	169.1	0	114.1	E66 R67	E66-K69 PolarHBondContact O-N 3.27Å; R67-K69 PolarHBondContact O-N 2.99Å
70	I	54.6	Low	55.7	Low	120 Å²	120	92.1 Å²	92.1	62%	0.615	49%	0.491	S	S	*	.	T	Hydrogen-bonded Turn	trans	-99.6	-3.4	-172.8	-55.1	178.3	0	0	0	113.1	Q68 K72	Q68-I70 PolarHBondContact O-N 3.44Å; I70-K72 PolarHBondContact O-N 2.88Å
71	L	57	Low	58.2	Low	24 Å²	24	82.6 Å²	82.6	13%	0.126	46%	0.459	C	S	.	.			trans	-74.9	85.8	174.8	-64.4	175.6	0	0	0	111.4	Q68 I162 F181 A313	Q68-L71 PolarHBondContact O-N 3.26Å; L71-I162 HydrophobicContact CD2-CG2 3.74Å; L71-F181 WeakPolarHBondContact CD1-O 3.3Å; L71-A313 HydrophobicContact CB-CB 4.21Å
72	K	55.8	Low	60.8	Low	173 Å²	173	80.7 Å²	80.7	75%	0.752	44%	0.439	S	S	*	.			trans	-113.6	98.8	162	-75.5	-172.4	-179	179.4	0	108.7	I70 T74	I70-K72 PolarHBondContact O-N 2.88Å; K72-T74 PolarHBondContact O-N 3.19Å; K72-T74 VanDerWaalsContact O-N 3.16Å
73	P	54.2	Low	62.9	Low	54 Å²	54	78.7 Å²	78.7	35%	0.351	43%	0.429	S	S	.	.			trans	-65.1	120.3	177.3	24.2	-30.3	0	0	0	109.3
74	T	51.6	Low	64.9	Low	108 Å²	108	76 Å²	76	66%	0.663	41%	0.413	S	S	*	.			trans	-111.1	103.6	167.3	-45.9	0	0	0	0	107.1	K72 E76	K72-T74 PolarHBondContact O-N 3.19Å; K72-T74 VanDerWaalsContact O-N 3.16Å; T74-E76 PolarHBondContact O-N 2.96Å
75	P	51.2	Low	66.8	Low	99 Å²	99	75.8 Å²	75.8	64%	0.643	41%	0.412	S	S	*	.			trans	-74.2	100	179.3	-5.7	20.8	0	0	0	109.4
76	E	50.5	Low	68.5	Low	131 Å²	131	73.5 Å²	73.5	61%	0.612	40%	0.399	S	S	*	.			trans	-79.6	129	159.2	-76.9	-170.5	170.7	0	0	109.2	T74 A78 R164	T74-E76 PolarHBondContact O-N 2.96Å; E76-A78 PolarHBondContact O-N 3.22Å; E76-R164 PolarHBondContact O-NH2 3.49Å
77	P	54.4	Low	70.4	Confident	140 Å²	140	68 Å²	68	91%	0.909	37%	0.374	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64.8	-7.6	-164.5	19.1	-30.1	0	0	0	116.5
78	A	60.6	Low	72.1	Confident	95 Å²	95	62.9 Å²	62.9	79%	0.785	36%	0.355	S	S	*	.	T	Hydrogen-bonded Turn	trans	-96.3	-18.5	-170.4	0	0	0	0	0	116.3	E76	E76-A78 PolarHBondContact O-N 3.22Å
79	V	61.2	Low	73.7	Confident	65 Å²	65	63.4 Å²	63.4	39%	0.394	36%	0.358	S	S	.	.	S	Bend	trans	-118.6	142.4	-175.6	140.3	0	0	0	0	112.7	V81 R164	V79-V81 PolarHBondContact O-N 2.66Å; V79-R164 VanDerWaalsContact CG2-NH1 3.27Å; V79-R164 PolarHBondContact O-NH2 3.17Å
80	P	74	Confident	75.5	Confident	71 Å²	71	57.6 Å²	57.6	46%	0.461	35%	0.346	S	S	.	.			trans	-59.5	137	-174.4	-25.2	34.6	0	0	0	112.1	R164 K364	P80-R164 PolarHBondContact O-NE 3.36Å; P80-K364 HydrophobicContact CB-CG 4.34Å
81	V	90.7	Very high	77.3	Confident	40 Å²	40	52.4 Å²	52.4	24%	0.242	32%	0.32	C	S	.	.			trans	-74.5	162.8	167.1	-62.2	0	0	0	0	110.2	V79 V166 P363 K364	V79-V81 PolarHBondContact O-N 2.66Å; V81-V166 HydrophobicContact CB-CG1 3.74Å; V81-V166 HydrophobicContact CB-CG2 4.04Å; V81-V166 HydrophobicContact CG1-CG1 3.82Å; V81-V166 HydrophobicContact CG2-CG1 4.19Å; V81-V166 HydrophobicContact CG2-CG2 3.82Å; V81-P363 HydrophobicContact CG2-CB 4.01Å; V81-P363 CarbonylContact O-C 3.35Å; V81-P363 WeakPolarHBondContact O-CA 3.3Å; V81-P363 VanDerWaalsContact O-CB 3.27Å; V81-P363 WeakPolarHBondContact O-CB 3.19Å; V81-K364 PolarHBondContact O-N 3.5Å
82	S	96.5	Very high	79.1	Confident	3 Å²	3	52.5 Å²	52.5	2%	0.021	32%	0.319	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.2	156.8	-177.7	63.4	0	0	0	0	113.8	A161 R164 C165 V166 K364	S82-A161 WeakPolarHBondContact CB-O 3.43Å; S82-A161 PolarHBondContact OG-O 3.12Å; S82-R164 PolarHBondContact N-O 3.1Å; S82-R164 VanDerWaalsContact N-O 3.15Å; S82-C165 WeakPolarHBondContact O-CA 3.31Å; S82-C165 WeakPolarHBondContact OG-CA 3.28Å; S82-C165 WeakPolarHBondContact OG-CB 3.49Å; S82-C165 PolarHBondContact OG-N 3.27Å; S82-V166 WeakPolarHBondContact O-CG2 3.05Å; S82-V166 PolarHBondContact O-N 3.48Å; S82-K364 CarbonylContact C-O 3.55Å; S82-K364 WeakPolarHBondContact CA-O 3.19Å
83	V	98.2	Very high	80.9	Confident	1 Å²	1	47.5 Å²	47.5	1%	0.006	30%	0.299	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.9	135	170.8	175.3	0	0	0	0	108.2	L85 A167 I352 P363 K364 T365 Y366	V83-L85 HydrophobicContact CG1-CD2 3.87Å; V83-L85 HydrophobicContact CG1-CG 4.3Å; V83-A167 VanDerWaalsContact CA-O 3.3Å; V83-A167 WeakPolarHBondContact CA-O 3.37Å; V83-A167 HydrophobicContact CG2-CB 4.31Å; V83-I352 HydrophobicContact CB-CG2 4.48Å; V83-I352 HydrophobicContact CG1-CD1 4.43Å; V83-I352 HydrophobicContact CG1-CG2 3.92Å; V83-I352 HydrophobicContact CG2-CG2 3.79Å; V83-P363 HydrophobicContact CG2-CB 3.94Å; V83-P363 HydrophobicContact CG2-CG 3.72Å; V83-K364 PolarHBondContact N-O 3.36Å; V83-T365 CarbonylContact O-C 3.51Å; V83-T365 WeakPolarHBondContact O-CA 3.33Å; V83-Y366 PolarHBondContact O-N 3.43Å
84	V	98.5	Very high	83	Confident	0 Å²	0	47.9 Å²	47.9	0%	0	30%	0.3	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.8	125.1	176	-176.8	0	0	0	0	110.3	F86 A167 A168 A169 F181 Y366 T368	V84-F86 HydrophobicContact CB-CE2 4.07Å; V84-F86 HydrophobicContact CB-CZ 4.36Å; V84-F86 HydrophobicContact CG1-CD2 4.23Å; V84-F86 HydrophobicContact CG1-CE1 4.19Å; V84-F86 HydrophobicContact CG1-CE2 3.46Å; V84-F86 VanDerWaalsContact CG1-CE2 3.46Å; V84-F86 HydrophobicContact CG1-CZ 3.43Å; V84-F86 VanDerWaalsContact CG1-CZ 3.43Å; V84-A167 PolarHBondContact N-O 3.24Å; V84-A168 WeakPolarHBondContact O-CA 3.31Å; V84-A169 PolarHBondContact O-N 2.83Å; V84-F181 HydrophobicContact CB-CD1 4.39Å; V84-F181 HydrophobicContact CB-CE1 3.87Å; V84-F181 HydrophobicContact CB-CZ 4.38Å; V84-F181 HydrophobicContact CG1-CE1 4.41Å; V84-F181 HydrophobicContact CG2-CE1 3.81Å; V84-F181 HydrophobicContact CG2-CZ 3.86Å; V84-Y366 CarbonylContact C-O 3.51Å; V84-Y366 WeakPolarHBondContact CA-O 3.41Å; V84-T368 HydrophobicContact CG1-CG2 3.7Å; V84-T368 VanDerWaalsContact CG1-OG1 3.22Å; V84-T368 WeakPolarHBondContact CG1-OG1 3.47Å
85	L	98.8	Very high	85.1	Confident	0 Å²	0	43.8 Å²	43.8	0%	0	28%	0.278	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.6	133.6	179.5	-58.5	-177.2	0	0	0	110.4	V83 A169 W345 L349 I352 T365 Y366 E367 T368 L374	V83-L85 HydrophobicContact CG1-CD2 3.87Å; V83-L85 HydrophobicContact CG1-CG 4.3Å; L85-A169 CarbonylContact C-O 3.45Å; L85-A169 VanDerWaalsContact CA-O 3.27Å; L85-A169 WeakPolarHBondContact CA-O 3.35Å; L85-A169 HydrophobicContact CD2-CB 4.01Å; L85-W345 HydrophobicContact CD1-CZ2 4.44Å; L85-W345 HydrophobicContact CD2-CH2 4.16Å; L85-W345 HydrophobicContact CD2-CZ2 4.32Å; L85-L349 HydrophobicContact CD1-CD2 4.39Å; L85-I352 HydrophobicContact CD2-CD1 4.34Å; L85-T365 HydrophobicContact CD1-CG2 3.59Å; L85-T365 HydrophobicContact CG-CG2 3.86Å; L85-Y366 PolarHBondContact N-O 3.15Å; L85-E367 WeakPolarHBondContact O-CA 3.3Å; L85-T368 PolarHBondContact O-N 3.34Å; L85-T368 PolarHBondContact O-OG1 3.42Å; L85-L374 HydrophobicContact CB-CD1 3.85Å; L85-L374 HydrophobicContact CD1-CB 4.39Å
86	F	98.7	Very high	87.1	Confident	0 Å²	0	39.1 Å²	39.1	0%	0	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.9	120	-177	-63.7	-91.6	0	0	0	110.7	V84 L148 V151 A168 A169 G170 Y171 G174 A177 A178 F181 T368 L374	V84-F86 HydrophobicContact CB-CE2 4.07Å; V84-F86 HydrophobicContact CB-CZ 4.36Å; V84-F86 HydrophobicContact CG1-CD2 4.23Å; V84-F86 HydrophobicContact CG1-CE1 4.19Å; V84-F86 HydrophobicContact CG1-CE2 3.46Å; V84-F86 VanDerWaalsContact CG1-CE2 3.46Å; V84-F86 HydrophobicContact CG1-CZ 3.43Å; V84-F86 VanDerWaalsContact CG1-CZ 3.43Å; F86-L148 HydrophobicContact CE1-CD2 4.1Å; F86-V151 HydrophobicContact CE1-CG2 3.63Å; F86-V151 HydrophobicContact CZ-CG2 3.86Å; F86-A168 HydrophobicContact CE2-CB 4.04Å; F86-A169 PolarHBondContact N-O 3.42Å; F86-G170 CarbonylContact O-C 3.57Å; F86-G170 VanDerWaalsContact O-CA 3.28Å; F86-G170 WeakPolarHBondContact O-CA 3.47Å; F86-Y171 PolarHBondContact O-N 3.46Å; F86-G174 WeakPolarHBondContact CB-O 3.35Å; F86-A177 HydrophobicContact CB-CB 4.13Å; F86-A177 HydrophobicContact CD1-CB 3.38Å; F86-A177 HydrophobicContact CE1-CB 3.98Å; F86-A177 HydrophobicContact CG-CB 3.86Å; F86-A178 HydrophobicContact CD2-CB 3.6Å; F86-A178 HydrophobicContact CE2-CB 3.94Å; F86-A178 HydrophobicContact CG-CB 4.38Å; F86-F181 HydrophobicContact CE1-CB 4.27Å; F86-F181 HydrophobicContact CE2-CB 4.07Å; F86-F181 AromaticContact CE2-CD1 3.89Å; F86-F181 HydrophobicContact CE2-CD1 3.89Å; F86-F181 HydrophobicContact CE2-CG 4.18Å; F86-F181 HydrophobicContact CZ-CB 3.46Å; F86-F181 VanDerWaalsContact CZ-CB 3.46Å; F86-F181 AromaticContact CZ-CD1 3.77Å; F86-F181 HydrophobicContact CZ-CD1 3.77Å; F86-F181 HydrophobicContact CZ-CD2 4.4Å; F86-F181 AromaticContact CZ-CG 3.62Å; F86-F181 HydrophobicContact CZ-CG 3.62Å; F86-T368 VanDerWaalsContact CE1-OG1 3.28Å; F86-T368 WeakPolarHBondContact CE1-OG1 3.26Å; F86-L374 WeakPolarHBondContact O-CD1 3.18Å
87	P	98.2	Very high	88.9	Confident	0 Å²	0	32.9 Å²	32.9	0%	0	22%	0.219	C	C	.	.			trans	-67.6	164.9	-177.7	29.5	-34.9	0	0	0	112.4	T91 I143 G174 T368 L374	P87-T91 HydrophobicContact CB-CG2 3.92Å; P87-I143 HydrophobicContact CG-CG2 4.41Å; P87-I143 WeakPolarHBondContact O-CG2 3.4Å; P87-G174 WeakPolarHBondContact O-CA 3.49Å; P87-T368 VanDerWaalsContact CD-O 3.27Å; P87-T368 WeakPolarHBondContact CD-O 3.38Å; P87-L374 HydrophobicContact CB-CD1 4.48Å
88	G	96.2	Very high	90.5	Very high	3 Å²	3	30.9 Å²	30.9	3%	0.031	20%	0.197	C	C	.	.			trans	-118.9	-170.3	177.2	0	0	0	0	0	113.1	G90 T91 I143 Y171	G88-G90 PolarHBondContact O-N 2.87Å; G88-T91 PolarHBondContact O-OG1 3.33Å; G88-I143 WeakPolarHBondContact O-CD1 3.15Å; G88-Y171 VanDerWaalsContact CA-O 3.25Å; G88-Y171 WeakPolarHBondContact CA-O 3.48Å
89	Q	93	Very high	91.5	Very high	37 Å²	37	28.9 Å²	28.9	17%	0.173	18%	0.181	C	C	.	.	T	Hydrogen-bonded Turn	trans	-56.3	137.3	179.2	-171.8	170.2	-22.2	0	0	111.9	T136 I143	Q89-T136 PolarHBondContact NE2-OG1 2.97Å; Q89-I143 HydrophobicContact CB-CD1 4.47Å
90	G	91.2	Very high	92.5	Very high	46 Å²	46	25.9 Å²	25.9	47%	0.474	16%	0.163	S	C	.	.	T	Hydrogen-bonded Turn	trans	110.6	-11.9	-175.4	0	0	0	0	0	113.8	G88	G88-G90 PolarHBondContact O-N 2.87Å
91	T	92.9	Very high	93	Very high	11 Å²	11	23.2 Å²	23.2	7%	0.067	15%	0.146	C	C	.	.			trans	-99.7	-7.8	179.2	72.1	0	0	0	0	114.4	P87 G88 H93 P370 H373	P87-T91 HydrophobicContact CB-CG2 3.92Å; G88-T91 PolarHBondContact O-OG1 3.33Å; T91-H93 PolarHBondContact O-ND1 2.87Å; T91-P370 WeakPolarHBondContact CB-O 3.24Å; T91-P370 PolarHBondContact OG1-O 3.46Å; T91-H373 HydrophobicContact CG2-CB 4.09Å; T91-H373 WeakPolarHBondContact CG2-ND1 3.49Å
92	Q	94.1	Very high	92.9	Very high	26 Å²	26	28.6 Å²	28.6	12%	0.121	17%	0.168	C	C	.	.			trans	-62.2	140.7	178.9	73.1	-69	-22	0	0	112.2	M96 L133 S134 I143	Q92-M96 HydrophobicContact CB-CE 4.1Å; Q92-M96 HydrophobicContact CB-SD 3.95Å; Q92-L133 HydrophobicContact CB-CD2 4.44Å; Q92-L133 HydrophobicContact CB-CG 4.27Å; Q92-L133 HydrophobicContact CG-CG 4.07Å; Q92-S134 PolarHBondContact NE2-OG 3.42Å; Q92-I143 HydrophobicContact CB-CD1 4.1Å; Q92-I143 HydrophobicContact CB-CG1 4.01Å
93	H	95.3	Very high	92.7	Very high	68 Å²	68	30.7 Å²	30.7	32%	0.315	18%	0.179	S	C	.	.			trans	-147.8	153.6	174	57.3	-90.5	0	0	0	109.8	T91 G95 M96	T91-H93 PolarHBondContact O-ND1 2.87Å; H93-G95 PolarHBondContact O-N 3.31Å; H93-M96 VanDerWaalsContact O-CG 3.23Å; H93-M96 WeakPolarHBondContact O-CG 3.45Å; H93-M96 PolarHBondContact O-N 2.81Å
94	V	96.6	Very high	92.5	Very high	62 Å²	62	35 Å²	35	38%	0.376	21%	0.207	S	C	.	.	T	Hydrogen-bonded Turn	trans	-66.9	132.5	174.5	177.3	0	0	0	0	108.6	R126 I130 L133	V94-R126 VanDerWaalsContact CG1-O 3.25Å; V94-R126 WeakPolarHBondContact CG1-O 3.34Å; V94-I130 HydrophobicContact CG2-CB 3.98Å; V94-I130 HydrophobicContact CG2-CD1 4.31Å; V94-L133 HydrophobicContact CG2-CD2 4.32Å
95	G	95.6	Very high	92.3	Very high	21 Å²	21	35.7 Å²	35.7	22%	0.216	21%	0.211	C	C	.	.	T	Hydrogen-bonded Turn	trans	104.1	-11	-175.4	0	0	0	0	0	114.6	H93 Q98 C125 R126	H93-G95 PolarHBondContact O-N 3.31Å; G95-Q98 WeakPolarHBondContact O-CB 3.4Å; G95-Q98 WeakPolarHBondContact O-CG 3.14Å; G95-C125 PolarHBondContact N-O 2.93Å; G95-R126 PolarHBondContact N-O 3.18Å
96	M	94.8	Very high	92.1	Very high	1 Å²	1	35.7 Å²	35.7	1%	0.005	21%	0.211	C	C	.	.	T	Hydrogen-bonded Turn	trans	-64.1	145	179.1	69	-173.9	-167.9	0	0	112.3	Q92 H93 Q98 C125 L133 A142 P370	Q92-M96 HydrophobicContact CB-CE 4.1Å; Q92-M96 HydrophobicContact CB-SD 3.95Å; H93-M96 VanDerWaalsContact O-CG 3.23Å; H93-M96 WeakPolarHBondContact O-CG 3.45Å; H93-M96 PolarHBondContact O-N 2.81Å; M96-Q98 VanDerWaalsContact C-N 3.3Å; M96-Q98 PolarHBondContact O-N 2.86Å; M96-C125 HydrophobicContact CE-CB 4.12Å; M96-C125 WeakPolarHBondContact CE-SG 3.36Å; M96-C125 HydrophobicContact CG-CB 3.95Å; M96-C125 WeakPolarHBondContact O-CB 3.42Å; M96-L133 HydrophobicContact CE-CD1 3.76Å; M96-L133 HydrophobicContact CE-CD2 4.13Å; M96-L133 HydrophobicContact CE-CG 4.44Å; M96-A142 HydrophobicContact CE-CB 3.29Å; M96-P370 HydrophobicContact CB-CB 4.27Å; M96-P370 HydrophobicContact SD-CB 4.06Å; M96-P370 HydrophobicContact SD-CG 3.99Å
97	G	88.4	Confident	91.9	Very high	0 Å²	0	40.4 Å²	40.4	0%	0	23%	0.232	C	C	.	.	T	Hydrogen-bonded Turn	trans	86.8	-8.6	178.3	0	0	0	0	0	114.7	C101 P394	G97-C101 PolarHBondContact O-N 3.06Å; G97-C101 PolarHBondContact O-SG 2.73Å; G97-P394 WeakPolarHBondContact CA-OXT 3.37Å; G97-P394 PolarHBondContact N-O 3.06Å
98	Q	87.1	Confident	91.8	Very high	98 Å²	98	44.6 Å²	44.6	46%	0.458	25%	0.252	S	S	.	.	T	Hydrogen-bonded Turn	trans	-64.7	-40.8	-177.6	-75.2	-179.4	9.9	0	0	112.6	G95 M96 R126	G95-Q98 WeakPolarHBondContact O-CB 3.4Å; G95-Q98 WeakPolarHBondContact O-CG 3.14Å; M96-Q98 VanDerWaalsContact C-N 3.3Å; M96-Q98 PolarHBondContact O-N 2.86Å; Q98-R126 HydrophobicContact CG-CB 4.5Å; Q98-R126 HydrophobicContact CG-CG 3.88Å
99	A	81.6	Confident	91.9	Very high	54 Å²	54	44.7 Å²	44.7	45%	0.446	25%	0.251	S	S	.	.	T	Hydrogen-bonded Turn	trans	-70.5	-42.8	-173.5	0	0	0	0	0	111.6	C101 Q102 P394	A99-C101 VanDerWaalsContact C-N 3.31Å; A99-C101 PolarHBondContact O-N 3.35Å; A99-Q102 WeakPolarHBondContact O-CG 3.35Å; A99-Q102 PolarHBondContact O-N 2.89Å; A99-P394 PolarHBondContact N-OXT 3.23Å
100	A	81.5	Confident	92.1	Very high	1 Å²	1	43.1 Å²	43.1	1%	0.008	24%	0.244	C	C	.	.	G	3₁₀ helix	trans	-73.2	-23.9	-179.3	0	0	0	0	0	112.1	Q102 L103 V106 A149 K153 P394	A100-Q102 PolarHBondContact O-N 2.87Å; A100-L103 WeakPolarHBondContact O-CB 3.23Å; A100-L103 PolarHBondContact O-N 2.72Å; A100-V106 HydrophobicContact CB-CG1 4.01Å; A100-V106 HydrophobicContact CB-CG2 4.14Å; A100-V106 VanDerWaalsContact O-CB 3.28Å; A100-V106 WeakPolarHBondContact O-CB 3.38Å; A100-V106 WeakPolarHBondContact O-CG2 3.28Å; A100-A149 HydrophobicContact CB-CB 3.94Å; A100-K153 HydrophobicContact CB-CB 4.34Å; A100-P394 WeakPolarHBondContact CA-OXT 3.41Å; A100-P394 HydrophobicContact CB-CB 4.39Å; A100-P394 WeakPolarHBondContact CB-OXT 3.49Å; A100-P394 PolarHBondContact N-OXT 3.15Å
101	C	84.2	Confident	92.4	Very high	16 Å²	16	46.7 Å²	46.7	11%	0.108	25%	0.248	C	C	.	.	G	3₁₀ helix	trans	-62.5	-5.6	175.2	-79.4	0	0	0	0	114.5	G97 A99 K107 L122	G97-C101 PolarHBondContact O-N 3.06Å; G97-C101 PolarHBondContact O-SG 2.73Å; A99-C101 VanDerWaalsContact C-N 3.31Å; A99-C101 PolarHBondContact O-N 3.35Å; C101-K107 WeakPolarHBondContact O-CE 3.48Å; C101-K107 WeakPolarHBondContact O-CG 3.27Å; C101-L122 WeakPolarHBondContact SG-CD1 3.34Å
102	Q	88.6	Confident	92.6	Very high	152 Å²	152	47.9 Å²	47.9	71%	0.71	26%	0.255	S	S	*	.	G	3₁₀ helix	trans	-69.7	-23.3	167.7	-59.4	-55.7	-31.3	0	0	112.5	A99 A100	A99-Q102 WeakPolarHBondContact O-CG 3.35Å; A99-Q102 PolarHBondContact O-N 2.89Å; A100-Q102 PolarHBondContact O-N 2.87Å
103	L	92.4	Very high	92.8	Very high	48 Å²	48	46.6 Å²	46.6	25%	0.251	25%	0.25	S	C	.	.	S	Bend	trans	-82.8	127.4	177.5	-60.5	174.9	0	0	0	110.5	A100 V105 V106 K107 E152 K153 A156	A100-L103 WeakPolarHBondContact O-CB 3.23Å; A100-L103 PolarHBondContact O-N 2.72Å; L103-V105 VanDerWaalsContact C-N 3.28Å; L103-V105 HydrophobicContact CB-CG1 4.18Å; L103-V105 PolarHBondContact O-N 2.92Å; L103-V106 HydrophobicContact CB-CB 4.28Å; L103-V106 HydrophobicContact CB-CG2 3.91Å; L103-V106 HydrophobicContact CD1-CG2 4.25Å; L103-V106 WeakPolarHBondContact O-CB 3.32Å; L103-V106 PolarHBondContact O-N 2.94Å; L103-K107 PolarHBondContact O-N 3.18Å; L103-E152 HydrophobicContact CD1-CB 4.27Å; L103-K153 HydrophobicContact CD1-CB 4.36Å; L103-A156 HydrophobicContact CD1-CB 4.25Å; L103-A156 HydrophobicContact CD2-CB 4.24Å
104	P	93.9	Very high	92.9	Very high	91 Å²	91	44.1 Å²	44.1	59%	0.591	24%	0.24	S	C	*	.	H	α-helix	trans	-54.8	-40.9	179.7	-28.8	35.6	0	0	0	114	V106 K107 E108	P104-V106 VanDerWaalsContact C-N 3.26Å; P104-V106 PolarHBondContact O-N 3.29Å; P104-K107 WeakPolarHBondContact O-CB 3.27Å; P104-K107 PolarHBondContact O-N 3.4Å; P104-K107 VanDerWaalsContact O-N 3.13Å; P104-E108 PolarHBondContact O-N 2.96Å; P104-E108 VanDerWaalsContact O-N 3.1Å
105	V	94.2	Very high	93	Very high	14 Å²	14	47.6 Å²	47.6	9%	0.085	26%	0.256	C	S	.	.	H	α-helix	trans	-59.5	-36.5	177.5	62.9	0	0	0	0	112.3	L103 E108 M109 E152	L103-V105 VanDerWaalsContact C-N 3.28Å; L103-V105 HydrophobicContact CB-CG1 4.18Å; L103-V105 PolarHBondContact O-N 2.92Å; V105-E108 PolarHBondContact O-N 3.24Å; V105-M109 WeakPolarHBondContact O-CG 3.27Å; V105-M109 PolarHBondContact O-N 3.05Å; V105-E152 HydrophobicContact CG1-CB 4.02Å; V105-E152 HydrophobicContact CG1-CG 3.9Å; V105-E152 WeakPolarHBondContact CG1-OE2 3.28Å; V105-E152 HydrophobicContact CG2-CG 4.35Å
106	V	95.6	Very high	93.1	Very high	0 Å²	0	47.2 Å²	47.2	0%	0	25%	0.25	C	C	.	.	H	α-helix	trans	-70.7	-37.3	178.9	174.4	0	0	0	0	110.7	A100 L103 P104 M109 F110 A149 E152	A100-V106 HydrophobicContact CB-CG1 4.01Å; A100-V106 HydrophobicContact CB-CG2 4.14Å; A100-V106 VanDerWaalsContact O-CB 3.28Å; A100-V106 WeakPolarHBondContact O-CB 3.38Å; A100-V106 WeakPolarHBondContact O-CG2 3.28Å; L103-V106 HydrophobicContact CB-CB 4.28Å; L103-V106 HydrophobicContact CB-CG2 3.91Å; L103-V106 HydrophobicContact CD1-CG2 4.25Å; L103-V106 WeakPolarHBondContact O-CB 3.32Å; L103-V106 PolarHBondContact O-N 2.94Å; P104-V106 VanDerWaalsContact C-N 3.26Å; P104-V106 PolarHBondContact O-N 3.29Å; V106-M109 HydrophobicContact CG2-SD 4.47Å; V106-M109 WeakPolarHBondContact O-CB 3.1Å; V106-M109 PolarHBondContact O-N 2.95Å; V106-F110 HydrophobicContact CG1-CD2 3.8Å; V106-F110 HydrophobicContact CG1-CE2 3.75Å; V106-F110 VanDerWaalsContact O-CD2 3.31Å; V106-F110 WeakPolarHBondContact O-CD2 3.18Å; V106-F110 PolarHBondContact O-N 3.15Å; V106-A149 HydrophobicContact CG1-CB 3.63Å; V106-A149 HydrophobicContact CG2-CB 4.15Å; V106-E152 HydrophobicContact CG2-CB 3.77Å; V106-E152 HydrophobicContact CG2-CG 4.33Å
107	K	95.3	Very high	93.2	Very high	100 Å²	100	47.7 Å²	47.7	44%	0.435	25%	0.252	S	S	.	.	H	α-helix	trans	-59.9	-47.8	173.3	-61.4	-176.7	-176.7	-179.8	0	111	C101 L103 P104 M109 F110 E111	C101-K107 WeakPolarHBondContact O-CE 3.48Å; C101-K107 WeakPolarHBondContact O-CG 3.27Å; L103-K107 PolarHBondContact O-N 3.18Å; P104-K107 WeakPolarHBondContact O-CB 3.27Å; P104-K107 PolarHBondContact O-N 3.4Å; P104-K107 VanDerWaalsContact O-N 3.13Å; K107-M109 VanDerWaalsContact C-N 3.3Å; K107-M109 PolarHBondContact O-N 3.07Å; K107-F110 PolarHBondContact O-N 3.12Å; K107-F110 VanDerWaalsContact O-N 3.17Å; K107-E111 WeakPolarHBondContact O-CG 3.31Å; K107-E111 PolarHBondContact O-N 2.62Å
108	E	95.8	Very high	93.7	Very high	88 Å²	88	50.9 Å²	50.9	41%	0.411	29%	0.285	S	S	.	.	H	α-helix	trans	-60.2	-37.8	177	-68.3	174.2	-176.4	0	0	112.4	P104 V105 E111 T112	P104-E108 PolarHBondContact O-N 2.96Å; P104-E108 VanDerWaalsContact O-N 3.1Å; V105-E108 PolarHBondContact O-N 3.24Å; E108-E111 PolarHBondContact O-N 3.25Å; E108-T112 VanDerWaalsContact O-CB 3.31Å; E108-T112 WeakPolarHBondContact O-CB 3.31Å; E108-T112 PolarHBondContact O-N 3.38Å; E108-T112 PolarHBondContact O-OG1 3.4Å
109	M	97.4	Very high	94.2	Very high	5 Å²	5	48.8 Å²	48.8	3%	0.025	27%	0.274	C	S	.	.	H	α-helix	trans	-63.3	-45.7	174.4	-69.2	165.2	74.8	0	0	112	W64 V105 V106 K107 T112 A113 L148 E152 F187	W64-M109 HydrophobicContact CG-CG 4.42Å; W64-M109 HydrophobicContact CZ2-CE 3.98Å; W64-M109 HydrophobicContact CZ2-SD 4.47Å; W64-M109 PolarHBondContact NE1-SD 3.29Å; V105-M109 WeakPolarHBondContact O-CG 3.27Å; V105-M109 PolarHBondContact O-N 3.05Å; V106-M109 HydrophobicContact CG2-SD 4.47Å; V106-M109 WeakPolarHBondContact O-CB 3.1Å; V106-M109 PolarHBondContact O-N 2.95Å; K107-M109 VanDerWaalsContact C-N 3.3Å; K107-M109 PolarHBondContact O-N 3.07Å; M109-T112 PolarHBondContact O-N 3.46Å; M109-A113 VanDerWaalsContact O-CB 3.28Å; M109-A113 WeakPolarHBondContact O-CB 3.32Å; M109-A113 PolarHBondContact O-N 2.64Å; M109-L148 HydrophobicContact CE-CB 3.39Å; M109-E152 HydrophobicContact SD-CG 3.95Å; M109-F187 HydrophobicContact CB-CE1 4.09Å; M109-F187 HydrophobicContact CB-CE2 4.47Å; M109-F187 HydrophobicContact CB-CZ 3.82Å; M109-F187 HydrophobicContact CE-CD2 4.32Å; M109-F187 HydrophobicContact CE-CE2 3.87Å; M109-F187 HydrophobicContact CE-CZ 4.34Å; M109-F187 HydrophobicContact CG-CE1 4.39Å; M109-F187 HydrophobicContact CG-CZ 4.27Å; M109-F187 WeakPolarHBondContact O-CE1 3.45Å; M109-F187 WeakPolarHBondContact O-CZ 3.35Å
110	F	97.2	Very high	94.9	Very high	4 Å²	4	50.7 Å²	50.7	2%	0.018	28%	0.276	C	S	.	.	H	α-helix	trans	-66.1	-38	177.2	-87.1	-76.5	0	0	0	112.2	V106 K107 A113 S114 L121 L122 V145 A149	V106-F110 HydrophobicContact CG1-CD2 3.8Å; V106-F110 HydrophobicContact CG1-CE2 3.75Å; V106-F110 VanDerWaalsContact O-CD2 3.31Å; V106-F110 WeakPolarHBondContact O-CD2 3.18Å; V106-F110 PolarHBondContact O-N 3.15Å; K107-F110 PolarHBondContact O-N 3.12Å; K107-F110 VanDerWaalsContact O-N 3.17Å; F110-A113 PolarHBondContact O-N 3.14Å; F110-S114 VanDerWaalsContact O-CB 3.26Å; F110-S114 WeakPolarHBondContact O-CB 3.21Å; F110-S114 PolarHBondContact O-N 3.27Å; F110-S114 PolarHBondContact O-OG 3.14Å; F110-L121 HydrophobicContact CD1-CB 4.38Å; F110-L121 HydrophobicContact CD1-CD2 4.21Å; F110-L121 HydrophobicContact CD1-CG 4.27Å; F110-L121 HydrophobicContact CE1-CD2 4.25Å; F110-L121 HydrophobicContact CE1-CG 4.27Å; F110-L122 HydrophobicContact CB-CB 4.16Å; F110-L122 HydrophobicContact CD1-CB 3.69Å; F110-L122 HydrophobicContact CD1-CD1 4.16Å; F110-L122 HydrophobicContact CD1-CG 4.45Å; F110-L122 HydrophobicContact CD2-CD1 4.25Å; F110-L122 HydrophobicContact CE1-CB 4.26Å; F110-L122 HydrophobicContact CE1-CD1 4.06Å; F110-L122 HydrophobicContact CE2-CD1 4.17Å; F110-L122 HydrophobicContact CG-CB 3.98Å; F110-L122 HydrophobicContact CG-CD1 4.25Å; F110-L122 HydrophobicContact CG-CG 4.48Å; F110-L122 HydrophobicContact CZ-CD1 4.07Å; F110-V145 HydrophobicContact CD1-CG1 3.89Å; F110-V145 HydrophobicContact CD2-CG1 4.28Å; F110-V145 HydrophobicContact CE1-CB 4.48Å; F110-V145 HydrophobicContact CE1-CG1 3.8Å; F110-V145 HydrophobicContact CE2-CG1 4.19Å; F110-V145 HydrophobicContact CG-CG1 4.13Å; F110-V145 HydrophobicContact CZ-CG1 3.95Å; F110-A149 HydrophobicContact CE2-CB 4.34Å
111	E	97.1	Very high	95.7	Very high	120 Å²	120	50.7 Å²	50.7	56%	0.561	28%	0.276	S	S	*	.	H	α-helix	trans	-63	-50	174	-73.4	172.6	-173.6	0	0	111.1	K107 E108 A113 S114 N115	K107-E111 WeakPolarHBondContact O-CG 3.31Å; K107-E111 PolarHBondContact O-N 2.62Å; E108-E111 PolarHBondContact O-N 3.25Å; E111-A113 VanDerWaalsContact C-N 3.31Å; E111-A113 PolarHBondContact O-N 2.92Å; E111-S114 PolarHBondContact O-N 2.89Å; E111-N115 VanDerWaalsContact O-CG 3.25Å; E111-N115 PolarHBondContact O-N 3.45Å; E111-N115 PolarHBondContact O-ND2 3.42Å
112	T	97.8	Very high	96.3	Very high	36 Å²	36	51.7 Å²	51.7	22%	0.221	28%	0.28	C	S	.	.	H	α-helix	trans	-58.4	-45.5	176.7	-63	0	0	0	0	111	E108 M109 N115 V116 F187 K188	E108-T112 VanDerWaalsContact O-CB 3.31Å; E108-T112 WeakPolarHBondContact O-CB 3.31Å; E108-T112 PolarHBondContact O-N 3.38Å; E108-T112 PolarHBondContact O-OG1 3.4Å; M109-T112 PolarHBondContact O-N 3.46Å; T112-N115 PolarHBondContact O-N 3.27Å; T112-V116 WeakPolarHBondContact O-CG2 3.26Å; T112-V116 PolarHBondContact O-N 2.89Å; T112-V116 VanDerWaalsContact O-N 3.1Å; T112-F187 HydrophobicContact CG2-CD1 4.13Å; T112-F187 HydrophobicContact CG2-CE1 3.97Å; T112-K188 HydrophobicContact CG2-CG 4.49Å
113	A	98.3	Very high	96.7	Very high	0 Å²	0	45.6 Å²	45.6	0%	0	26%	0.256	C	S	.	.	H	α-helix	trans	-63.3	-44.3	177.2	0	0	0	0	0	111.9	M109 F110 E111 N115 V116 L117 L121 V145 F187 V191	M109-A113 VanDerWaalsContact O-CB 3.28Å; M109-A113 WeakPolarHBondContact O-CB 3.32Å; M109-A113 PolarHBondContact O-N 2.64Å; F110-A113 PolarHBondContact O-N 3.14Å; E111-A113 VanDerWaalsContact C-N 3.31Å; E111-A113 PolarHBondContact O-N 2.92Å; A113-N115 VanDerWaalsContact C-N 3.33Å; A113-N115 PolarHBondContact O-N 3.29Å; A113-V116 PolarHBondContact O-N 3.1Å; A113-L117 HydrophobicContact CB-CD1 4.32Å; A113-L117 VanDerWaalsContact O-CB 3.24Å; A113-L117 WeakPolarHBondContact O-CB 3.36Å; A113-L117 WeakPolarHBondContact O-CD1 3.4Å; A113-L117 WeakPolarHBondContact O-CG 3.46Å; A113-L117 PolarHBondContact O-N 3.41Å; A113-L121 HydrophobicContact CB-CD2 4Å; A113-V145 HydrophobicContact CB-CG2 3.66Å; A113-F187 HydrophobicContact CB-CZ 4.31Å; A113-V191 HydrophobicContact CB-CG1 4.17Å; A113-V191 HydrophobicContact CB-CG2 4.13Å
114	S	98.1	Very high	96.9	Very high	16 Å²	16	43.7 Å²	43.7	11%	0.112	25%	0.246	C	C	.	.	H	α-helix	trans	-62.3	-40.5	179.6	-60.8	0	0	0	0	111.9	F110 E111 L117 G118 Y119 L121	F110-S114 VanDerWaalsContact O-CB 3.26Å; F110-S114 WeakPolarHBondContact O-CB 3.21Å; F110-S114 PolarHBondContact O-N 3.27Å; F110-S114 PolarHBondContact O-OG 3.14Å; E111-S114 PolarHBondContact O-N 2.89Å; S114-L117 PolarHBondContact O-N 2.88Å; S114-G118 PolarHBondContact O-N 2.96Å; S114-Y119 VanDerWaalsContact CA-O 3.23Å; S114-Y119 WeakPolarHBondContact CA-O 3.37Å; S114-Y119 VanDerWaalsContact CB-O 3.22Å; S114-Y119 WeakPolarHBondContact CB-O 3.27Å; S114-Y119 PolarHBondContact O-N 3.15Å; S114-Y119 PolarHBondContact OG-O 3.33Å; S114-L121 PolarHBondContact OG-N 3.44Å
115	N	98	Very high	97.1	Very high	134 Å²	134	39.4 Å²	39.4	72%	0.717	22%	0.218	S	C	*	.	H	α-helix	trans	-61.3	-45.2	174.7	-70.6	-25.5	0	0	0	111.9	E111 T112 A113	E111-N115 VanDerWaalsContact O-CG 3.25Å; E111-N115 PolarHBondContact O-N 3.45Å; E111-N115 PolarHBondContact O-ND2 3.42Å; T112-N115 PolarHBondContact O-N 3.27Å; A113-N115 VanDerWaalsContact C-N 3.33Å; A113-N115 PolarHBondContact O-N 3.29Å
116	V	97.9	Very high	97.1	Very high	14 Å²	14	44 Å²	44	9%	0.085	23%	0.233	C	C	.	.	H	α-helix	trans	-66.4	-39.6	176.9	170	0	0	0	0	111.8	T112 A113 K188 V191 H192 K195	T112-V116 WeakPolarHBondContact O-CG2 3.26Å; T112-V116 PolarHBondContact O-N 2.89Å; T112-V116 VanDerWaalsContact O-N 3.1Å; A113-V116 PolarHBondContact O-N 3.1Å; V116-K188 HydrophobicContact CG2-CG 4.09Å; V116-V191 HydrophobicContact CB-CB 4.4Å; V116-V191 HydrophobicContact CB-CG1 3.81Å; V116-V191 HydrophobicContact CG1-CB 4.06Å; V116-V191 HydrophobicContact CG1-CG1 3.57Å; V116-H192 HydrophobicContact CG1-CB 4.35Å; V116-K195 PolarHBondContact O-NZ 3.44Å
117	L	97.9	Very high	97.2	Very high	10 Å²	10	48.4 Å²	48.4	5%	0.052	26%	0.257	C	S	.	.	H	α-helix	trans	-77.2	-31.6	-175.3	-70	167.5	0	0	0	112.5	A113 S114 Y119 L121 P141 V191 K195	A113-L117 HydrophobicContact CB-CD1 4.32Å; A113-L117 VanDerWaalsContact O-CB 3.24Å; A113-L117 WeakPolarHBondContact O-CB 3.36Å; A113-L117 WeakPolarHBondContact O-CD1 3.4Å; A113-L117 WeakPolarHBondContact O-CG 3.46Å; A113-L117 PolarHBondContact O-N 3.41Å; S114-L117 PolarHBondContact O-N 2.88Å; L117-Y119 HydrophobicContact CB-CD1 3.92Å; L117-Y119 HydrophobicContact CB-CE1 3.6Å; L117-Y119 HydrophobicContact CD1-CE1 4.47Å; L117-Y119 HydrophobicContact CD1-CE2 4.32Å; L117-Y119 HydrophobicContact CD2-CE1 4.28Å; L117-Y119 HydrophobicContact CG-CE1 4.33Å; L117-L121 HydrophobicContact CD1-CB 4.07Å; L117-L121 HydrophobicContact CD1-CD1 4.07Å; L117-L121 HydrophobicContact CD1-CD2 3.8Å; L117-L121 HydrophobicContact CD1-CG 4.2Å; L117-P141 HydrophobicContact CD1-CB 3.82Å; L117-P141 HydrophobicContact CD2-CB 3.83Å; L117-P141 HydrophobicContact CD2-CG 3.77Å; L117-P141 HydrophobicContact CG-CB 4.49Å; L117-V191 HydrophobicContact CD1-CG1 4.39Å; L117-V191 HydrophobicContact CD2-CG1 4.26Å; L117-V191 HydrophobicContact CG-CG1 4Å; L117-K195 HydrophobicContact CD2-CB 3.86Å; L117-K195 HydrophobicContact CD2-CD 4.19Å; L117-K195 HydrophobicContact CD2-CG 3.94Å; L117-K195 WeakPolarHBondContact O-CE 3.4Å; L117-K195 PolarHBondContact O-NZ 2.72Å
118	G	97.8	Very high	97.2	Very high	68 Å²	68	44.3 Å²	44.3	70%	0.701	24%	0.244	S	C	*	.	T	Hydrogen-bonded Turn	trans	84	18.9	-176.2	0	0	0	0	0	113.7	S114	S114-G118 PolarHBondContact O-N 2.96Å
119	Y	97.8	Very high	97.3	Very high	54 Å²	54	43.8 Å²	43.8	21%	0.212	25%	0.248	C	C	.	.	S	Bend	trans	-154.5	158.4	175.2	62.8	-95.1	0	0	0	110	S114 L117 L121 L124 Y138	S114-Y119 VanDerWaalsContact CA-O 3.23Å; S114-Y119 WeakPolarHBondContact CA-O 3.37Å; S114-Y119 VanDerWaalsContact CB-O 3.22Å; S114-Y119 WeakPolarHBondContact CB-O 3.27Å; S114-Y119 PolarHBondContact O-N 3.15Å; S114-Y119 PolarHBondContact OG-O 3.33Å; L117-Y119 HydrophobicContact CB-CD1 3.92Å; L117-Y119 HydrophobicContact CB-CE1 3.6Å; L117-Y119 HydrophobicContact CD1-CE1 4.47Å; L117-Y119 HydrophobicContact CD1-CE2 4.32Å; L117-Y119 HydrophobicContact CD2-CE1 4.28Å; L117-Y119 HydrophobicContact CG-CE1 4.33Å; Y119-L121 HydrophobicContact CE2-CB 4.27Å; Y119-L121 HydrophobicContact CE2-CD1 3.83Å; Y119-L121 PolarHBondContact O-N 2.93Å; Y119-L121 VanDerWaalsContact O-N 3.08Å; Y119-L124 HydrophobicContact CE2-CD2 4.11Å; Y119-Y138 HydrophobicContact CD1-CE1 4.17Å; Y119-Y138 HydrophobicContact CD2-CD1 4.49Å; Y119-Y138 AromaticContact CE1-CD1 3.88Å; Y119-Y138 HydrophobicContact CE1-CD1 3.88Å; Y119-Y138 AromaticContact CE1-CE1 3.81Å; Y119-Y138 HydrophobicContact CE1-CE1 3.81Å; Y119-Y138 AromaticContact CE2-CD1 3.81Å; Y119-Y138 HydrophobicContact CE2-CD1 3.81Å; Y119-Y138 HydrophobicContact CE2-CE1 4.23Å; Y119-Y138 AromaticContact CZ-CD1 3.48Å; Y119-Y138 VanDerWaalsContact CZ-CD1 3.48Å; Y119-Y138 AromaticContact CZ-CE1 3.88Å
120	D	97.3	Very high	97.2	Very high	94 Å²	94	47.7 Å²	47.7	50%	0.503	27%	0.268	S	S	.	.			trans	-70.9	102.2	176.6	-171.6	-21.8	0	0	0	110.7	L122 A123 L124	D120-L122 PolarHBondContact OD1-N 3.25Å; D120-A123 HydrophobicContact CB-CB 4Å; D120-A123 PolarHBondContact OD1-N 3.15Å; D120-A123 WeakPolarHBondContact OD2-CB 3.45Å; D120-L124 PolarHBondContact O-N 3.13Å
121	L	97.7	Very high	97	Very high	0 Å²	0	52 Å²	52	0%	0	30%	0.298	C	S	.	.	H	α-helix	trans	-70.7	-38.1	179.7	-177.5	65.6	0	0	0	111.3	F110 A113 S114 L117 Y119 L124 C125 P141 A142 V145	F110-L121 HydrophobicContact CD1-CB 4.38Å; F110-L121 HydrophobicContact CD1-CD2 4.21Å; F110-L121 HydrophobicContact CD1-CG 4.27Å; F110-L121 HydrophobicContact CE1-CD2 4.25Å; F110-L121 HydrophobicContact CE1-CG 4.27Å; A113-L121 HydrophobicContact CB-CD2 4Å; S114-L121 PolarHBondContact OG-N 3.44Å; L117-L121 HydrophobicContact CD1-CB 4.07Å; L117-L121 HydrophobicContact CD1-CD1 4.07Å; L117-L121 HydrophobicContact CD1-CD2 3.8Å; L117-L121 HydrophobicContact CD1-CG 4.2Å; Y119-L121 HydrophobicContact CE2-CB 4.27Å; Y119-L121 HydrophobicContact CE2-CD1 3.83Å; Y119-L121 PolarHBondContact O-N 2.93Å; Y119-L121 VanDerWaalsContact O-N 3.08Å; L121-L124 PolarHBondContact O-N 3.3Å; L121-C125 PolarHBondContact O-N 3.43Å; L121-C125 PolarHBondContact O-SG 3.16Å; L121-P141 HydrophobicContact CD1-CB 4.46Å; L121-A142 HydrophobicContact CD1-CB 3.9Å; L121-V145 HydrophobicContact CD2-CB 3.82Å; L121-V145 HydrophobicContact CD2-CG1 4.25Å; L121-V145 HydrophobicContact CD2-CG2 3.56Å
122	L	96.3	Very high	96.9	Very high	38 Å²	38	50.4 Å²	50.4	20%	0.199	29%	0.29	C	S	.	.	H	α-helix	trans	-67.5	-45.3	-176.6	178.5	55.9	0	0	0	110.8	C101 F110 D120 L124 C125 R126	C101-L122 WeakPolarHBondContact SG-CD1 3.34Å; F110-L122 HydrophobicContact CB-CB 4.16Å; F110-L122 HydrophobicContact CD1-CB 3.69Å; F110-L122 HydrophobicContact CD1-CD1 4.16Å; F110-L122 HydrophobicContact CD1-CG 4.45Å; F110-L122 HydrophobicContact CD2-CD1 4.25Å; F110-L122 HydrophobicContact CE1-CB 4.26Å; F110-L122 HydrophobicContact CE1-CD1 4.06Å; F110-L122 HydrophobicContact CE2-CD1 4.17Å; F110-L122 HydrophobicContact CG-CB 3.98Å; F110-L122 HydrophobicContact CG-CD1 4.25Å; F110-L122 HydrophobicContact CG-CG 4.48Å; F110-L122 HydrophobicContact CZ-CD1 4.07Å; D120-L122 PolarHBondContact OD1-N 3.25Å; L122-L124 VanDerWaalsContact C-N 3.26Å; L122-L124 PolarHBondContact O-N 2.63Å; L122-C125 PolarHBondContact O-N 3.46Å; L122-R126 VanDerWaalsContact O-CB 3.23Å; L122-R126 WeakPolarHBondContact O-CB 3.48Å; L122-R126 PolarHBondContact O-N 2.96Å
123	A	96.3	Very high	96.9	Very high	23 Å²	23	48.7 Å²	48.7	19%	0.19	28%	0.279	C	S	.	.	H	α-helix	trans	-58.1	-41.2	174.6	0	0	0	0	0	111.4	D120 R126 D127	D120-A123 HydrophobicContact CB-CB 4Å; D120-A123 PolarHBondContact OD1-N 3.15Å; D120-A123 WeakPolarHBondContact OD2-CB 3.45Å; A123-R126 PolarHBondContact O-N 3Å; A123-D127 WeakPolarHBondContact O-CB 3.45Å; A123-D127 PolarHBondContact O-N 3.24Å
124	L	97.5	Very high	96.6	Very high	9 Å²	9	50.8 Å²	50.8	5%	0.047	29%	0.294	C	S	.	.	H	α-helix	trans	-65.2	-42.6	176.8	-178.5	59.3	0	0	0	112.7	Y119 D120 L121 L122 G128 K132 L133 Y138	Y119-L124 HydrophobicContact CE2-CD2 4.11Å; D120-L124 PolarHBondContact O-N 3.13Å; L121-L124 PolarHBondContact O-N 3.3Å; L122-L124 VanDerWaalsContact C-N 3.26Å; L122-L124 PolarHBondContact O-N 2.63Å; L124-G128 WeakPolarHBondContact CD1-O 3.45Å; L124-G128 VanDerWaalsContact O-CA 3.29Å; L124-G128 WeakPolarHBondContact O-CA 3.29Å; L124-G128 PolarHBondContact O-N 3.31Å; L124-K132 HydrophobicContact CD1-CB 4.2Å; L124-K132 HydrophobicContact CD1-CD 3.92Å; L124-K132 HydrophobicContact CD1-CG 4.02Å; L124-L133 HydrophobicContact CD1-CB 4.37Å; L124-L133 HydrophobicContact CG-CD1 4.24Å; L124-Y138 HydrophobicContact CD2-CD1 3.57Å; L124-Y138 HydrophobicContact CD2-CE1 4.43Å; L124-Y138 HydrophobicContact CD2-CG 3.69Å
125	C	97.3	Very high	96.4	Very high	0 Å²	0	51.9 Å²	51.9	0%	0	30%	0.301	C	S	.	.	H	α-helix	trans	-64.1	-42.8	175.4	-66.2	0	0	0	0	111.6	G95 M96 L121 L122	G95-C125 PolarHBondContact N-O 2.93Å; M96-C125 HydrophobicContact CE-CB 4.12Å; M96-C125 WeakPolarHBondContact CE-SG 3.36Å; M96-C125 HydrophobicContact CG-CB 3.95Å; M96-C125 WeakPolarHBondContact O-CB 3.42Å; L121-C125 PolarHBondContact O-N 3.43Å; L121-C125 PolarHBondContact O-SG 3.16Å; L122-C125 PolarHBondContact O-N 3.46Å
126	R	95.8	Very high	96.1	Very high	110 Å²	110	45.6 Å²	45.6	42%	0.415	27%	0.268	S	S	.	.	H	α-helix	trans	-71.3	-47.4	-175.7	-170.5	-174.2	62.6	-149	-8.2	112.6	V94 G95 Q98 L122 A123	V94-R126 VanDerWaalsContact CG1-O 3.25Å; V94-R126 WeakPolarHBondContact CG1-O 3.34Å; G95-R126 PolarHBondContact N-O 3.18Å; Q98-R126 HydrophobicContact CG-CB 4.5Å; Q98-R126 HydrophobicContact CG-CG 3.88Å; L122-R126 VanDerWaalsContact O-CB 3.23Å; L122-R126 WeakPolarHBondContact O-CB 3.48Å; L122-R126 PolarHBondContact O-N 2.96Å; A123-R126 PolarHBondContact O-N 3Å
127	D	96.4	Very high	95.9	Very high	93 Å²	93	50.5 Å²	50.5	50%	0.497	29%	0.285	S	S	.	.	H	α-helix	trans	-113.4	-17.7	-164.3	-51.9	-35.2	0	0	0	113.1	A123	A123-D127 WeakPolarHBondContact O-CB 3.45Å; A123-D127 PolarHBondContact O-N 3.24Å
128	G	95.8	Very high	95.8	Very high	15 Å²	15	52.6 Å²	52.6	16%	0.155	29%	0.292	C	S	.	.			trans	75.8	-147.5	-176.9	0	0	0	0	0	113.5	L124	L124-G128 WeakPolarHBondContact CD1-O 3.45Å; L124-G128 VanDerWaalsContact O-CA 3.29Å; L124-G128 WeakPolarHBondContact O-CA 3.29Å; L124-G128 PolarHBondContact O-N 3.31Å
129	P	97.2	Very high	95.7	Very high	76 Å²	76	49.3 Å²	49.3	49%	0.494	26%	0.259	S	S	.	.			cis	-71.3	154.7	7.1	30.2	-36.5	0	0	0	112.8	S131 K132 L133	P129-S131 PolarHBondContact O-N 3.35Å; P129-K132 HydrophobicContact CG-CB 3.99Å; P129-K132 PolarHBondContact O-N 3.36Å; P129-L133 PolarHBondContact O-N 2.95Å
130	I	95.1	Very high	95.7	Very high	88 Å²	88	46.8 Å²	46.8	45%	0.451	25%	0.249	S	C	.	.	H	α-helix	trans	-57.1	-33.4	178.6	-172.8	58.4	0	0	0	112.6	V94 K132 L133 S134	V94-I130 HydrophobicContact CG2-CB 3.98Å; V94-I130 HydrophobicContact CG2-CD1 4.31Å; I130-K132 VanDerWaalsContact C-N 3.31Å; I130-K132 PolarHBondContact O-N 3.39Å; I130-L133 PolarHBondContact O-N 3.34Å; I130-S134 WeakPolarHBondContact CD1-OG 3.34Å; I130-S134 WeakPolarHBondContact O-CB 3.44Å; I130-S134 PolarHBondContact O-N 2.78Å; I130-S134 PolarHBondContact O-OG 2.91Å; I130-S134 VanDerWaalsContact O-OG 3.11Å
131	S	94.5	Very high	95.8	Very high	94 Å²	94	42.3 Å²	42.3	66%	0.657	23%	0.225	S	C	*	.	H	α-helix	trans	-61	-38.1	176.9	55	0	0	0	0	112.7	P129	P129-S131 PolarHBondContact O-N 3.35Å
132	K	95.2	Very high	95.8	Very high	86 Å²	86	42.3 Å²	42.3	37%	0.374	23%	0.225	S	C	.	.	H	α-helix	trans	-75.2	-50.8	175	-174.3	175.5	178.4	-176.5	0	110.2	L124 P129 I130 S134 S135 Y138	L124-K132 HydrophobicContact CD1-CB 4.2Å; L124-K132 HydrophobicContact CD1-CD 3.92Å; L124-K132 HydrophobicContact CD1-CG 4.02Å; P129-K132 HydrophobicContact CG-CB 3.99Å; P129-K132 PolarHBondContact O-N 3.36Å; I130-K132 VanDerWaalsContact C-N 3.31Å; I130-K132 PolarHBondContact O-N 3.39Å; K132-S134 PolarHBondContact O-N 2.91Å; K132-S135 PolarHBondContact O-N 2.82Å; K132-S135 VanDerWaalsContact O-N 3.09Å; K132-S135 PolarHBondContact O-OG 3.25Å; K132-Y138 HydrophobicContact CD-CE2 4.26Å; K132-Y138 HydrophobicContact CG-CD2 3.61Å; K132-Y138 HydrophobicContact CG-CE2 3.6Å; K132-Y138 HydrophobicContact CG-CG 4.27Å; K132-Y138 VanDerWaalsContact O-CD2 3.29Å; K132-Y138 WeakPolarHBondContact O-CD2 3.28Å
133	L	95.9	Very high	95.9	Very high	0 Å²	0	40.5 Å²	40.5	0%	0	22%	0.216	C	C	.	.	H	α-helix	trans	-57.5	-36.9	-178	179.7	59.4	0	0	0	112.3	Q92 V94 M96 L124 P129 I130 S135 S139 A142	Q92-L133 HydrophobicContact CB-CD2 4.44Å; Q92-L133 HydrophobicContact CB-CG 4.27Å; Q92-L133 HydrophobicContact CG-CG 4.07Å; V94-L133 HydrophobicContact CG2-CD2 4.32Å; M96-L133 HydrophobicContact CE-CD1 3.76Å; M96-L133 HydrophobicContact CE-CD2 4.13Å; M96-L133 HydrophobicContact CE-CG 4.44Å; L124-L133 HydrophobicContact CD1-CB 4.37Å; L124-L133 HydrophobicContact CG-CD1 4.24Å; P129-L133 PolarHBondContact O-N 2.95Å; I130-L133 PolarHBondContact O-N 3.34Å; L133-S135 VanDerWaalsContact C-N 3.33Å; L133-S135 PolarHBondContact O-N 3.32Å; L133-S139 VanDerWaalsContact O-CA 3.23Å; L133-S139 WeakPolarHBondContact O-CA 3.25Å; L133-S139 WeakPolarHBondContact O-CB 3.35Å; L133-S139 PolarHBondContact O-N 3.45Å; L133-S139 VanDerWaalsContact O-N 3.12Å; L133-A142 HydrophobicContact CD1-CB 3.71Å
134	S	93.5	Very high	96	Very high	44 Å²	44	39.4 Å²	39.4	31%	0.308	21%	0.206	S	C	.	.	T	Hydrogen-bonded Turn	trans	-75.3	-14.6	-179.8	-71.2	0	0	0	0	114.9	Q92 I130 K132	Q92-S134 PolarHBondContact NE2-OG 3.42Å; I130-S134 WeakPolarHBondContact CD1-OG 3.34Å; I130-S134 WeakPolarHBondContact O-CB 3.44Å; I130-S134 PolarHBondContact O-N 2.78Å; I130-S134 PolarHBondContact O-OG 2.91Å; I130-S134 VanDerWaalsContact O-OG 3.11Å; K132-S134 PolarHBondContact O-N 2.91Å
135	S	92.4	Very high	96	Very high	39 Å²	39	39 Å²	39	27%	0.273	20%	0.204	S	C	.	.	S	Bend	trans	-69.5	145.7	174.8	71.9	0	0	0	0	110.9	K132 L133 R137 Y138 S139	K132-S135 PolarHBondContact O-N 2.82Å; K132-S135 VanDerWaalsContact O-N 3.09Å; K132-S135 PolarHBondContact O-OG 3.25Å; L133-S135 VanDerWaalsContact C-N 3.33Å; L133-S135 PolarHBondContact O-N 3.32Å; S135-R137 PolarHBondContact O-N 3.34Å; S135-R137 VanDerWaalsContact O-N 3.13Å; S135-Y138 PolarHBondContact O-N 3.06Å; S135-Y138 WeakPolarHBondContact OG-CD2 3.4Å; S135-S139 PolarHBondContact O-N 2.82Å; S135-S139 PolarHBondContact O-OG 3.44Å
136	T	93	Very high	96	Very high	2 Å²	2	39 Å²	39	1%	0.012	20%	0.204	C	C	.	.	H	α-helix	trans	-53.9	-38.8	-172.3	-57.2	0	0	0	0	112.6	Q89 Y138 S139 Q140 A198 M201 S285 F288	Q89-T136 PolarHBondContact NE2-OG1 2.97Å; T136-Y138 VanDerWaalsContact C-N 3.3Å; T136-Y138 PolarHBondContact O-N 3.07Å; T136-S139 WeakPolarHBondContact CA-OG 3.24Å; T136-Q140 HydrophobicContact CG2-CG 4.48Å; T136-Q140 VanDerWaalsContact CG2-NE2 3.27Å; T136-Q140 PolarHBondContact O-N 3.43Å; T136-A198 WeakPolarHBondContact O-CB 3.47Å; T136-M201 HydrophobicContact CG2-CB 4.29Å; T136-S285 PolarHBondContact OG1-OG 3.13Å; T136-F288 HydrophobicContact CG2-CE1 4.44Å; T136-F288 HydrophobicContact CG2-CZ 4.16Å; T136-F288 WeakPolarHBondContact OG1-CZ 3.44Å
137	R	93.5	Very high	96.1	Very high	118 Å²	118	33.7 Å²	33.7	45%	0.445	18%	0.184	S	C	.	.	H	α-helix	trans	-57.3	-38.4	178.9	-176.4	-178.3	-67.5	-126	0.5	113.3	S135 P141	S135-R137 PolarHBondContact O-N 3.34Å; S135-R137 VanDerWaalsContact O-N 3.13Å; R137-P141 VanDerWaalsContact O-CD 3.31Å; R137-P141 WeakPolarHBondContact O-CD 3.27Å
138	Y	95.8	Very high	96.2	Very high	53 Å²	53	29.3 Å²	29.3	21%	0.208	16%	0.161	C	C	.	.	H	α-helix	trans	-101.6	-39.4	-175.1	-59.4	-72.4	0	0	0	112.6	Y119 L124 K132 S135 T136 Q140 P141 A142	Y119-Y138 HydrophobicContact CD1-CE1 4.17Å; Y119-Y138 HydrophobicContact CD2-CD1 4.49Å; Y119-Y138 AromaticContact CE1-CD1 3.88Å; Y119-Y138 HydrophobicContact CE1-CD1 3.88Å; Y119-Y138 AromaticContact CE1-CE1 3.81Å; Y119-Y138 HydrophobicContact CE1-CE1 3.81Å; Y119-Y138 AromaticContact CE2-CD1 3.81Å; Y119-Y138 HydrophobicContact CE2-CD1 3.81Å; Y119-Y138 HydrophobicContact CE2-CE1 4.23Å; Y119-Y138 AromaticContact CZ-CD1 3.48Å; Y119-Y138 VanDerWaalsContact CZ-CD1 3.48Å; Y119-Y138 AromaticContact CZ-CE1 3.88Å; L124-Y138 HydrophobicContact CD2-CD1 3.57Å; L124-Y138 HydrophobicContact CD2-CE1 4.43Å; L124-Y138 HydrophobicContact CD2-CG 3.69Å; K132-Y138 HydrophobicContact CD-CE2 4.26Å; K132-Y138 HydrophobicContact CG-CD2 3.61Å; K132-Y138 HydrophobicContact CG-CE2 3.6Å; K132-Y138 HydrophobicContact CG-CG 4.27Å; K132-Y138 VanDerWaalsContact O-CD2 3.29Å; K132-Y138 WeakPolarHBondContact O-CD2 3.28Å; S135-Y138 PolarHBondContact O-N 3.06Å; S135-Y138 WeakPolarHBondContact OG-CD2 3.4Å; T136-Y138 VanDerWaalsContact C-N 3.3Å; T136-Y138 PolarHBondContact O-N 3.07Å; Y138-Q140 VanDerWaalsContact C-N 3.32Å; Y138-Q140 PolarHBondContact O-N 3.44Å; Y138-P141 WeakPolarHBondContact O-CD 3.33Å; Y138-A142 WeakPolarHBondContact O-CB 3.2Å; Y138-A142 PolarHBondContact O-N 2.51Å; Y138-A142 VanDerWaalsContact O-N 3.09Å
139	S	96.1	Very high	96.3	Very high	0 Å²	0	28.6 Å²	28.6	0%	0	15%	0.153	C	C	.	.	H	α-helix	trans	-59.2	-41.6	-179	49.1	0	0	0	0	112.3	L133 S135 T136 A142 I143	L133-S139 VanDerWaalsContact O-CA 3.23Å; L133-S139 WeakPolarHBondContact O-CA 3.25Å; L133-S139 WeakPolarHBondContact O-CB 3.35Å; L133-S139 PolarHBondContact O-N 3.45Å; L133-S139 VanDerWaalsContact O-N 3.12Å; S135-S139 PolarHBondContact O-N 2.82Å; S135-S139 PolarHBondContact O-OG 3.44Å; T136-S139 WeakPolarHBondContact CA-OG 3.24Å; S139-A142 PolarHBondContact O-N 3.06Å; S139-I143 WeakPolarHBondContact O-CB 3.45Å; S139-I143 WeakPolarHBondContact O-CD1 3.41Å; S139-I143 VanDerWaalsContact O-CG1 3.3Å; S139-I143 WeakPolarHBondContact O-CG1 3.3Å; S139-I143 PolarHBondContact O-N 2.78Å
140	Q	97.9	Very high	96.3	Very high	0 Å²	0	25 Å²	25	0%	0	13%	0.13	C	C	.	.	H	α-helix	trans	-63.2	-54.9	-177.4	-77.5	-170.2	31	0	0	113.2	T136 Y138 A142 F144 V173 V194 A198 M201	T136-Q140 HydrophobicContact CG2-CG 4.48Å; T136-Q140 VanDerWaalsContact CG2-NE2 3.27Å; T136-Q140 PolarHBondContact O-N 3.43Å; Y138-Q140 VanDerWaalsContact C-N 3.32Å; Y138-Q140 PolarHBondContact O-N 3.44Å; Q140-A142 VanDerWaalsContact C-N 3.27Å; Q140-A142 PolarHBondContact O-N 3.02Å; Q140-F144 WeakPolarHBondContact O-CB 3.44Å; Q140-F144 PolarHBondContact O-N 2.73Å; Q140-V173 HydrophobicContact CB-CG2 3.92Å; Q140-V173 HydrophobicContact CG-CB 4.21Å; Q140-V173 HydrophobicContact CG-CG1 4.38Å; Q140-V173 HydrophobicContact CG-CG2 4.05Å; Q140-V194 HydrophobicContact CB-CG1 3.99Å; Q140-A198 HydrophobicContact CB-CB 3.85Å; Q140-A198 HydrophobicContact CG-CB 4.31Å; Q140-M201 PolarHBondContact NE2-SD 3.48Å
141	P	98.1	Very high	96.4	Very high	0 Å²	0	21 Å²	21	0%	0	11%	0.11	C	C	.	.	H	α-helix	trans	-58.1	-39.4	172.5	-23.6	30.9	0	0	0	113	L117 L121 R137 Y138 F144 V145 V194	L117-P141 HydrophobicContact CD1-CB 3.82Å; L117-P141 HydrophobicContact CD2-CB 3.83Å; L117-P141 HydrophobicContact CD2-CG 3.77Å; L117-P141 HydrophobicContact CG-CB 4.49Å; L121-P141 HydrophobicContact CD1-CB 4.46Å; R137-P141 VanDerWaalsContact O-CD 3.31Å; R137-P141 WeakPolarHBondContact O-CD 3.27Å; Y138-P141 WeakPolarHBondContact O-CD 3.33Å; P141-F144 PolarHBondContact O-N 3.11Å; P141-V145 WeakPolarHBondContact O-CG2 3.27Å; P141-V145 PolarHBondContact O-N 3.08Å; P141-V194 HydrophobicContact CB-CG1 4.4Å; P141-V194 HydrophobicContact CG-CG1 4.11Å
142	A	98	Very high	96.4	Very high	0 Å²	0	17.2 Å²	17.2	0%	0	8%	0.082	C	C	.	.	H	α-helix	trans	-64.3	-48.9	-177.3	0	0	0	0	0	111.8	M96 L121 L133 Y138 S139 Q140 F144 C146	M96-A142 HydrophobicContact CE-CB 3.29Å; L121-A142 HydrophobicContact CD1-CB 3.9Å; L133-A142 HydrophobicContact CD1-CB 3.71Å; Y138-A142 WeakPolarHBondContact O-CB 3.2Å; Y138-A142 PolarHBondContact O-N 2.51Å; Y138-A142 VanDerWaalsContact O-N 3.09Å; S139-A142 PolarHBondContact O-N 3.06Å; Q140-A142 VanDerWaalsContact C-N 3.27Å; Q140-A142 PolarHBondContact O-N 3.02Å; A142-F144 VanDerWaalsContact C-N 3.35Å; A142-F144 PolarHBondContact O-N 3.25Å; A142-C146 WeakPolarHBondContact O-CB 3.22Å; A142-C146 PolarHBondContact O-N 3.42Å; A142-C146 PolarHBondContact O-SG 2.94Å
143	I	97.9	Very high	96.4	Very high	0 Å²	0	15.1 Å²	15.1	0%	0	7%	0.073	C	C	.	.	H	α-helix	trans	-61.6	-43.6	174.5	-69.2	158.4	0	0	0	110.8	P87 G88 Q89 Q92 S139 S147 V173 P370	P87-I143 HydrophobicContact CG-CG2 4.41Å; P87-I143 WeakPolarHBondContact O-CG2 3.4Å; G88-I143 WeakPolarHBondContact O-CD1 3.15Å; Q89-I143 HydrophobicContact CB-CD1 4.47Å; Q92-I143 HydrophobicContact CB-CD1 4.1Å; Q92-I143 HydrophobicContact CB-CG1 4.01Å; S139-I143 WeakPolarHBondContact O-CB 3.45Å; S139-I143 WeakPolarHBondContact O-CD1 3.41Å; S139-I143 VanDerWaalsContact O-CG1 3.3Å; S139-I143 WeakPolarHBondContact O-CG1 3.3Å; S139-I143 PolarHBondContact O-N 2.78Å; I143-S147 VanDerWaalsContact O-CB 3.27Å; I143-S147 WeakPolarHBondContact O-CB 3.23Å; I143-S147 PolarHBondContact O-N 3.23Å; I143-S147 PolarHBondContact O-OG 2.81Å; I143-V173 HydrophobicContact CG2-CG1 4.42Å; I143-P370 HydrophobicContact CG1-CG 4.2Å
144	F	98.6	Very high	96.4	Very high	0 Å²	0	15.3 Å²	15.3	0%	0	7%	0.074	C	C	.	.	H	α-helix	trans	-57.9	-52.9	179.6	166.8	-97.3	0	0	0	112.2	Q140 P141 A142 S147 L148 A177 V180 F187 A190 V191 V194	Q140-F144 WeakPolarHBondContact O-CB 3.44Å; Q140-F144 PolarHBondContact O-N 2.73Å; P141-F144 PolarHBondContact O-N 3.11Å; A142-F144 VanDerWaalsContact C-N 3.35Å; A142-F144 PolarHBondContact O-N 3.25Å; F144-S147 PolarHBondContact O-N 3.01Å; F144-L148 HydrophobicContact CE1-CD1 4.06Å; F144-L148 HydrophobicContact CE2-CD1 3.76Å; F144-L148 HydrophobicContact CZ-CD1 3.46Å; F144-L148 VanDerWaalsContact CZ-CD1 3.46Å; F144-L148 PolarHBondContact O-N 2.81Å; F144-A177 HydrophobicContact CD2-CB 3.93Å; F144-A177 HydrophobicContact CE2-CB 4.2Å; F144-V180 HydrophobicContact CE2-CG2 4.01Å; F144-V180 HydrophobicContact CZ-CG2 3.99Å; F144-F187 HydrophobicContact CE1-CD2 4.02Å; F144-F187 AromaticContact CE1-CE2 3.73Å; F144-F187 HydrophobicContact CE1-CE2 3.73Å; F144-F187 HydrophobicContact CZ-CD2 4.08Å; F144-F187 HydrophobicContact CZ-CE2 4.22Å; F144-A190 HydrophobicContact CE1-CB 4.18Å; F144-A190 HydrophobicContact CE2-CB 3.78Å; F144-A190 HydrophobicContact CZ-CB 3.35Å; F144-V191 HydrophobicContact CD1-CG2 4.34Å; F144-V191 HydrophobicContact CE1-CG2 3.69Å; F144-V194 HydrophobicContact CB-CG1 4.29Å; F144-V194 HydrophobicContact CB-CG2 4.37Å; F144-V194 HydrophobicContact CD2-CG2 4.1Å; F144-V194 HydrophobicContact CG-CG2 4.05Å
145	V	98.2	Very high	96.5	Very high	0 Å²	0	16.2 Å²	16.2	0%	0	7%	0.072	C	C	.	.	H	α-helix	trans	-67.8	-44.5	-178.7	177.6	0	0	0	0	111	F110 A113 L121 P141 S147 L148 A149 F187	F110-V145 HydrophobicContact CD1-CG1 3.89Å; F110-V145 HydrophobicContact CD2-CG1 4.28Å; F110-V145 HydrophobicContact CE1-CB 4.48Å; F110-V145 HydrophobicContact CE1-CG1 3.8Å; F110-V145 HydrophobicContact CE2-CG1 4.19Å; F110-V145 HydrophobicContact CG-CG1 4.13Å; F110-V145 HydrophobicContact CZ-CG1 3.95Å; A113-V145 HydrophobicContact CB-CG2 3.66Å; L121-V145 HydrophobicContact CD2-CB 3.82Å; L121-V145 HydrophobicContact CD2-CG1 4.25Å; L121-V145 HydrophobicContact CD2-CG2 3.56Å; P141-V145 WeakPolarHBondContact O-CG2 3.27Å; P141-V145 PolarHBondContact O-N 3.08Å; V145-S147 VanDerWaalsContact C-N 3.26Å; V145-S147 PolarHBondContact O-N 2.55Å; V145-L148 PolarHBondContact O-N 3.42Å; V145-A149 WeakPolarHBondContact O-CB 3.4Å; V145-A149 PolarHBondContact O-N 3.28Å; V145-F187 HydrophobicContact CG1-CZ 4.44Å; V145-F187 HydrophobicContact CG2-CE2 4.34Å; V145-F187 HydrophobicContact CG2-CZ 4.17Å
146	C	98	Very high	96.5	Very high	0 Å²	0	17.4 Å²	17.4	0%	0	8%	0.084	C	C	.	.	H	α-helix	trans	-60.6	-35.5	176.7	-76.1	0	0	0	0	112.2	A142 A149 A150 P394	A142-C146 WeakPolarHBondContact O-CB 3.22Å; A142-C146 PolarHBondContact O-N 3.42Å; A142-C146 PolarHBondContact O-SG 2.94Å; C146-A149 PolarHBondContact O-N 2.79Å; C146-A150 PolarHBondContact O-N 3.37Å; C146-P394 HydrophobicContact CB-CB 4.28Å; C146-P394 HydrophobicContact CB-CG 3.79Å; C146-P394 WeakPolarHBondContact O-CB 3.19Å
147	S	98.2	Very high	96.5	Very high	0 Å²	0	23.1 Å²	23.1	0%	0	11%	0.111	C	C	.	.	H	α-helix	trans	-67.9	-38.5	177.8	-55	0	0	0	0	112.4	I143 F144 V145 A150 V151 T368	I143-S147 VanDerWaalsContact O-CB 3.27Å; I143-S147 WeakPolarHBondContact O-CB 3.23Å; I143-S147 PolarHBondContact O-N 3.23Å; I143-S147 PolarHBondContact O-OG 2.81Å; F144-S147 PolarHBondContact O-N 3.01Å; V145-S147 VanDerWaalsContact C-N 3.26Å; V145-S147 PolarHBondContact O-N 2.55Å; S147-A150 WeakPolarHBondContact O-CB 3.33Å; S147-A150 PolarHBondContact O-N 2.89Å; S147-V151 PolarHBondContact O-N 3.37Å; S147-T368 WeakPolarHBondContact CA-O 3.34Å; S147-T368 WeakPolarHBondContact CB-O 3.2Å
148	L	98.1	Very high	96.5	Very high	0 Å²	0	19 Å²	19	0%	0	10%	0.1	C	C	.	.	H	α-helix	trans	-75.1	-29.8	174.2	-63.2	178.2	0	0	0	112.4	W64 F86 M109 F144 V145 A150 V151 E152 A177 V180 F181 F187	W64-L148 HydrophobicContact CH2-CB 4.24Å; W64-L148 HydrophobicContact CH2-CD1 4.26Å; W64-L148 HydrophobicContact CH2-CD2 3.82Å; W64-L148 HydrophobicContact CH2-CG 4.34Å; W64-L148 HydrophobicContact CZ2-CB 4.11Å; W64-L148 HydrophobicContact CZ2-CD2 4.48Å; W64-L148 HydrophobicContact CZ3-CD1 4.49Å; F86-L148 HydrophobicContact CE1-CD2 4.1Å; M109-L148 HydrophobicContact CE-CB 3.39Å; F144-L148 HydrophobicContact CE1-CD1 4.06Å; F144-L148 HydrophobicContact CE2-CD1 3.76Å; F144-L148 HydrophobicContact CZ-CD1 3.46Å; F144-L148 VanDerWaalsContact CZ-CD1 3.46Å; F144-L148 PolarHBondContact O-N 2.81Å; V145-L148 PolarHBondContact O-N 3.42Å; L148-A150 VanDerWaalsContact C-N 3.32Å; L148-V151 WeakPolarHBondContact O-CB 3.39Å; L148-V151 PolarHBondContact O-N 2.97Å; L148-V151 VanDerWaalsContact O-N 3.15Å; L148-E152 PolarHBondContact O-N 2.87Å; L148-E152 VanDerWaalsContact O-N 3.09Å; L148-A177 HydrophobicContact CD2-CB 4.01Å; L148-A177 WeakPolarHBondContact CD2-O 3.36Å; L148-A177 HydrophobicContact CG-CB 4.15Å; L148-V180 HydrophobicContact CD1-CB 4.01Å; L148-V180 HydrophobicContact CD1-CG1 3.47Å; L148-V180 VanDerWaalsContact CD1-CG1 3.47Å; L148-V180 HydrophobicContact CD2-CB 4.39Å; L148-V180 HydrophobicContact CD2-CG1 4.12Å; L148-V180 HydrophobicContact CG-CG1 4.46Å; L148-F181 HydrophobicContact CD2-CB 4.39Å; L148-F187 HydrophobicContact CD1-CD2 3.6Å; L148-F187 HydrophobicContact CD1-CE2 3.88Å
149	A	97.3	Very high	96.4	Very high	0 Å²	0	19.5 Å²	19.5	0%	0	11%	0.11	C	C	.	.	H	α-helix	trans	-63	-39.7	170.3	0	0	0	0	0	111.6	A100 V106 F110 V145 C146 V151 E152 K153 P394	A100-A149 HydrophobicContact CB-CB 3.94Å; V106-A149 HydrophobicContact CG1-CB 3.63Å; V106-A149 HydrophobicContact CG2-CB 4.15Å; F110-A149 HydrophobicContact CE2-CB 4.34Å; V145-A149 WeakPolarHBondContact O-CB 3.4Å; V145-A149 PolarHBondContact O-N 3.28Å; C146-A149 PolarHBondContact O-N 2.79Å; A149-V151 VanDerWaalsContact C-N 3.29Å; A149-V151 PolarHBondContact O-N 2.69Å; A149-E152 PolarHBondContact O-N 2.88Å; A149-K153 PolarHBondContact O-N 3.07Å; A149-P394 HydrophobicContact CB-CB 4.29Å
150	A	97.1	Very high	96.2	Very high	0 Å²	0	23.7 Å²	23.7	0%	0	13%	0.129	C	C	.	.	H	α-helix	trans	-62.7	-33.8	171.7	0	0	0	0	0	112.5	C146 S147 L148 K153 L154 V392 P394	C146-A150 PolarHBondContact O-N 3.37Å; S147-A150 WeakPolarHBondContact O-CB 3.33Å; S147-A150 PolarHBondContact O-N 2.89Å; L148-A150 VanDerWaalsContact C-N 3.32Å; A150-K153 PolarHBondContact O-N 2.83Å; A150-L154 WeakPolarHBondContact O-CB 3.1Å; A150-L154 PolarHBondContact O-N 3.45Å; A150-V392 HydrophobicContact CB-CB 4.45Å; A150-V392 HydrophobicContact CB-CG1 4.12Å; A150-V392 VanDerWaalsContact CB-O 3.23Å; A150-V392 WeakPolarHBondContact CB-O 3.45Å; A150-V392 WeakPolarHBondContact O-CG1 3.24Å; A150-P394 HydrophobicContact CB-CB 4.01Å
151	V	96.9	Very high	96	Very high	4 Å²	4	23.8 Å²	23.8	2%	0.024	13%	0.13	C	C	.	.	H	α-helix	trans	-63.6	-45.2	172.2	170.9	0	0	0	0	111.3	F86 S147 L148 A149 K153 L154 K155 I162 F181 T368	F86-V151 HydrophobicContact CE1-CG2 3.63Å; F86-V151 HydrophobicContact CZ-CG2 3.86Å; S147-V151 PolarHBondContact O-N 3.37Å; L148-V151 WeakPolarHBondContact O-CB 3.39Å; L148-V151 PolarHBondContact O-N 2.97Å; L148-V151 VanDerWaalsContact O-N 3.15Å; A149-V151 VanDerWaalsContact C-N 3.29Å; A149-V151 PolarHBondContact O-N 2.69Å; V151-K153 VanDerWaalsContact C-N 3.3Å; V151-K153 PolarHBondContact O-N 2.94Å; V151-L154 PolarHBondContact O-N 3.48Å; V151-K155 WeakPolarHBondContact O-CB 3.48Å; V151-K155 PolarHBondContact O-N 3.21Å; V151-I162 HydrophobicContact CG1-CD1 4.14Å; V151-F181 HydrophobicContact CG1-CD2 3.69Å; V151-F181 HydrophobicContact CG1-CE2 3.8Å; V151-F181 HydrophobicContact CG2-CD2 4.21Å; V151-T368 HydrophobicContact CG2-CG2 4.1Å
152	E	95.9	Very high	95.9	Very high	15 Å²	15	24.1 Å²	24.1	7%	0.07	13%	0.132	C	C	.	.	H	α-helix	trans	-63.8	-37.1	177.6	-69.7	-58.9	130.4	0	0	112	W64 L103 V105 V106 M109 L148 A149 K155 A156	W64-E152 HydrophobicContact CZ2-CG 4.19Å; W64-E152 WeakPolarHBondContact CZ2-OE1 3.33Å; W64-E152 PolarHBondContact NE1-OE1 3.05Å; L103-E152 HydrophobicContact CD1-CB 4.27Å; V105-E152 HydrophobicContact CG1-CB 4.02Å; V105-E152 HydrophobicContact CG1-CG 3.9Å; V105-E152 WeakPolarHBondContact CG1-OE2 3.28Å; V105-E152 HydrophobicContact CG2-CG 4.35Å; V106-E152 HydrophobicContact CG2-CB 3.77Å; V106-E152 HydrophobicContact CG2-CG 4.33Å; M109-E152 HydrophobicContact SD-CG 3.95Å; L148-E152 PolarHBondContact O-N 2.87Å; L148-E152 VanDerWaalsContact O-N 3.09Å; A149-E152 PolarHBondContact O-N 2.88Å; E152-K155 PolarHBondContact O-N 2.77Å; E152-A156 PolarHBondContact O-N 3.1Å
153	K	95.1	Very high	95.6	Very high	43 Å²	43	28 Å²	28	19%	0.187	15%	0.153	C	C	.	.	H	α-helix	trans	-61.9	-50.8	170.8	-179.8	179.7	168.7	-174	0	111.9	A100 L103 A149 A150 V151 K155 A156 E157 V392 E393	A100-K153 HydrophobicContact CB-CB 4.34Å; L103-K153 HydrophobicContact CD1-CB 4.36Å; A149-K153 PolarHBondContact O-N 3.07Å; A150-K153 PolarHBondContact O-N 2.83Å; V151-K153 VanDerWaalsContact C-N 3.3Å; V151-K153 PolarHBondContact O-N 2.94Å; K153-K155 VanDerWaalsContact C-N 3.26Å; K153-K155 PolarHBondContact O-N 3.23Å; K153-A156 PolarHBondContact O-N 3.43Å; K153-A156 VanDerWaalsContact O-N 3.07Å; K153-E157 WeakPolarHBondContact CE-OE1 2.82Å; K153-E157 HydrophobicContact CG-CG 4.43Å; K153-E157 WeakPolarHBondContact CG-OE1 3.43Å; K153-E157 WeakPolarHBondContact O-CG 3.38Å; K153-E157 PolarHBondContact O-N 2.92Å; K153-V392 HydrophobicContact CD-CG1 4.36Å; K153-V392 HydrophobicContact CG-CG1 4.49Å; K153-E393 WeakPolarHBondContact CD-O 3.47Å; K153-E393 PolarHBondContact NZ-O 2.87Å
154	L	95.3	Very high	95.4	Very high	4 Å²	4	29.6 Å²	29.6	2%	0.021	16%	0.159	C	C	.	.	H	α-helix	trans	-57.7	-41	176.7	179.1	57	0	0	0	111.5	A150 V151 A156 E157 S158 A161 I162 Y366 T368 V392	A150-L154 WeakPolarHBondContact O-CB 3.1Å; A150-L154 PolarHBondContact O-N 3.45Å; V151-L154 PolarHBondContact O-N 3.48Å; L154-A156 VanDerWaalsContact C-N 3.31Å; L154-A156 PolarHBondContact O-N 3.42Å; L154-E157 PolarHBondContact O-N 3.29Å; L154-S158 CarbonylContact O-C 3.44Å; L154-S158 WeakPolarHBondContact O-CA 3.4Å; L154-S158 PolarHBondContact O-N 2.84Å; L154-A161 HydrophobicContact CD1-CB 3.89Å; L154-A161 HydrophobicContact CD2-CB 4.19Å; L154-A161 HydrophobicContact CG-CB 4.09Å; L154-I162 HydrophobicContact CB-CD1 4.41Å; L154-I162 HydrophobicContact CD2-CD1 3.72Å; L154-I162 HydrophobicContact CG-CD1 3.96Å; L154-I162 HydrophobicContact CG-CG1 4.38Å; L154-Y366 HydrophobicContact CD1-CD1 3.71Å; L154-Y366 HydrophobicContact CD1-CE1 3.67Å; L154-Y366 HydrophobicContact CD1-CG 4.4Å; L154-Y366 HydrophobicContact CD2-CD1 3.83Å; L154-Y366 HydrophobicContact CD2-CD2 4.24Å; L154-Y366 HydrophobicContact CD2-CE1 4.45Å; L154-Y366 HydrophobicContact CD2-CG 3.7Å; L154-Y366 HydrophobicContact CG-CD1 4.46Å; L154-T368 HydrophobicContact CD2-CG2 3.96Å; L154-V392 HydrophobicContact CB-CG1 4.14Å; L154-V392 HydrophobicContact CB-CG2 4.28Å; L154-V392 HydrophobicContact CD1-CG2 4.04Å; L154-V392 HydrophobicContact CD2-CG2 4.25Å; L154-V392 HydrophobicContact CG-CG2 4.42Å
155	K	94.5	Very high	95.3	Very high	62 Å²	62	29.7 Å²	29.7	27%	0.27	16%	0.159	S	C	.	.	H	α-helix	trans	-63	-37.2	177.2	-170.9	174.3	179	173.7	0	112.3	V151 E152 K153 P159 I162	V151-K155 WeakPolarHBondContact O-CB 3.48Å; V151-K155 PolarHBondContact O-N 3.21Å; E152-K155 PolarHBondContact O-N 2.77Å; K153-K155 VanDerWaalsContact C-N 3.26Å; K153-K155 PolarHBondContact O-N 3.23Å; K155-P159 WeakPolarHBondContact O-CG 3.46Å; K155-I162 HydrophobicContact CB-CG1 3.92Å; K155-I162 HydrophobicContact CG-CG1 4.28Å
156	A	93.2	Very high	95.2	Very high	64 Å²	64	32.1 Å²	32.1	53%	0.529	17%	0.174	S	C	.	.	H	α-helix	trans	-73.2	-36.8	177	0	0	0	0	0	112.5	L103 E152 K153 L154	L103-A156 HydrophobicContact CD1-CB 4.25Å; L103-A156 HydrophobicContact CD2-CB 4.24Å; E152-A156 PolarHBondContact O-N 3.1Å; K153-A156 PolarHBondContact O-N 3.43Å; K153-A156 VanDerWaalsContact O-N 3.07Å; L154-A156 VanDerWaalsContact C-N 3.31Å; L154-A156 PolarHBondContact O-N 3.42Å
157	E	93.2	Very high	95.2	Very high	123 Å²	123	32.3 Å²	32.3	58%	0.575	18%	0.176	S	C	*	.	H	α-helix	trans	-86.2	-31.8	-176.2	-68.2	174.1	174.3	0	0	113.6	K153 L154	K153-E157 WeakPolarHBondContact CE-OE1 2.82Å; K153-E157 HydrophobicContact CG-CG 4.43Å; K153-E157 WeakPolarHBondContact CG-OE1 3.43Å; K153-E157 WeakPolarHBondContact O-CG 3.38Å; K153-E157 PolarHBondContact O-N 2.92Å; L154-E157 PolarHBondContact O-N 3.29Å
158	S	93.6	Very high	95.2	Very high	32 Å²	32	32.3 Å²	32.3	22%	0.224	18%	0.176	C	C	.	.			trans	-152.1	74.3	-176	-58.1	0	0	0	0	110.8	L154 E160 A161	L154-S158 CarbonylContact O-C 3.44Å; L154-S158 WeakPolarHBondContact O-CA 3.4Å; L154-S158 PolarHBondContact O-N 2.84Å; S158-E160 VanDerWaalsContact C-OE2 3.29Å; S158-E160 PolarHBondContact O-N 3.49Å; S158-E160 VanDerWaalsContact O-N 3.12Å; S158-A161 WeakPolarHBondContact O-CB 3.29Å; S158-A161 PolarHBondContact O-N 3.19Å
159	P	93	Very high	95.3	Very high	63 Å²	63	32.3 Å²	32.3	41%	0.409	18%	0.176	S	C	.	.	H	α-helix	trans	-52.2	-36.1	-178	-23.7	30.5	0	0	0	113.8	K155 A161 I162 D163	K155-P159 WeakPolarHBondContact O-CG 3.46Å; P159-A161 PolarHBondContact O-N 2.84Å; P159-I162 PolarHBondContact O-N 3.4Å; P159-D163 PolarHBondContact O-N 2.71Å
160	E	92.8	Very high	95.3	Very high	87 Å²	87	32.4 Å²	32.4	41%	0.407	18%	0.176	S	C	.	.	H	α-helix	trans	-63.7	-26	179.3	74.8	-71.4	172.4	0	0	113.3	S158 I162 R164	S158-E160 VanDerWaalsContact C-OE2 3.29Å; S158-E160 PolarHBondContact O-N 3.49Å; S158-E160 VanDerWaalsContact O-N 3.12Å; E160-I162 PolarHBondContact O-N 2.86Å; E160-R164 VanDerWaalsContact O-CB 3.27Å; E160-R164 WeakPolarHBondContact O-CB 3.41Å; E160-R164 WeakPolarHBondContact O-CG 3.46Å; E160-R164 PolarHBondContact O-N 3.4Å; E160-R164 VanDerWaalsContact O-N 3.14Å
161	A	94	Very high	95.4	Very high	3 Å²	3	33.9 Å²	33.9	3%	0.025	18%	0.182	C	C	.	.	H	α-helix	trans	-66.7	-27.4	173.6	0	0	0	0	0	111.9	S82 L154 S158 P159 Y366	S82-A161 WeakPolarHBondContact CB-O 3.43Å; S82-A161 PolarHBondContact OG-O 3.12Å; L154-A161 HydrophobicContact CD1-CB 3.89Å; L154-A161 HydrophobicContact CD2-CB 4.19Å; L154-A161 HydrophobicContact CG-CB 4.09Å; S158-A161 WeakPolarHBondContact O-CB 3.29Å; S158-A161 PolarHBondContact O-N 3.19Å; P159-A161 PolarHBondContact O-N 2.84Å; A161-Y366 HydrophobicContact CB-CD2 4.23Å; A161-Y366 HydrophobicContact CB-CE1 4.25Å; A161-Y366 HydrophobicContact CB-CE2 3.55Å
162	I	94.8	Very high	95.5	Very high	6 Å²	6	34 Å²	34	3%	0.031	18%	0.183	C	C	.	.	H	α-helix	trans	-90	-48.7	176.9	-58.8	-54.8	0	0	0	110.4	L71 V151 L154 K155 P159 E160 R164 C165 F181	L71-I162 HydrophobicContact CD2-CG2 3.74Å; V151-I162 HydrophobicContact CG1-CD1 4.14Å; L154-I162 HydrophobicContact CB-CD1 4.41Å; L154-I162 HydrophobicContact CD2-CD1 3.72Å; L154-I162 HydrophobicContact CG-CD1 3.96Å; L154-I162 HydrophobicContact CG-CG1 4.38Å; K155-I162 HydrophobicContact CB-CG1 3.92Å; K155-I162 HydrophobicContact CG-CG1 4.28Å; P159-I162 PolarHBondContact O-N 3.4Å; E160-I162 PolarHBondContact O-N 2.86Å; I162-R164 PolarHBondContact O-N 3.47Å; I162-C165 VanDerWaalsContact O-CB 3.27Å; I162-C165 WeakPolarHBondContact O-CB 3.3Å; I162-C165 PolarHBondContact O-N 2.92Å; I162-C165 VanDerWaalsContact O-N 3.07Å; I162-F181 HydrophobicContact CD1-CE2 3.98Å; I162-F181 HydrophobicContact CD1-CZ 4.19Å; I162-F181 HydrophobicContact CG2-CE2 4.09Å; I162-F181 HydrophobicContact CG2-CZ 4.45Å
163	D	92.7	Very high	95.6	Very high	81 Å²	81	33.3 Å²	33.3	43%	0.433	18%	0.18	S	C	.	.	H	α-helix	trans	-63.4	-27.6	-175	-66.4	-18.9	0	0	0	112.8	P159	P159-D163 PolarHBondContact O-N 2.71Å
164	R	92.9	Very high	95.7	Very high	34 Å²	34	31.3 Å²	31.3	13%	0.128	17%	0.172	C	C	.	.	T	Hydrogen-bonded Turn	trans	-103.1	14.4	179	-54.6	-178.4	65.5	109	7.6	113.8	E76 V79 P80 S82 E160 I162 V166	E76-R164 PolarHBondContact O-NH2 3.49Å; V79-R164 VanDerWaalsContact CG2-NH1 3.27Å; V79-R164 PolarHBondContact O-NH2 3.17Å; P80-R164 PolarHBondContact O-NE 3.36Å; S82-R164 PolarHBondContact N-O 3.1Å; S82-R164 VanDerWaalsContact N-O 3.15Å; E160-R164 VanDerWaalsContact O-CB 3.27Å; E160-R164 WeakPolarHBondContact O-CB 3.41Å; E160-R164 WeakPolarHBondContact O-CG 3.46Å; E160-R164 PolarHBondContact O-N 3.4Å; E160-R164 VanDerWaalsContact O-N 3.14Å; I162-R164 PolarHBondContact O-N 3.47Å; R164-V166 PolarHBondContact O-N 3.17Å
165	C	96.6	Very high	95.9	Very high	2 Å²	2	31.1 Å²	31.1	1%	0.014	17%	0.171	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-67.7	126.9	177.6	-170.2	0	0	0	0	110.9	S82 I162 A167 F181 I314	S82-C165 WeakPolarHBondContact O-CA 3.31Å; S82-C165 WeakPolarHBondContact OG-CA 3.28Å; S82-C165 WeakPolarHBondContact OG-CB 3.49Å; S82-C165 PolarHBondContact OG-N 3.27Å; I162-C165 VanDerWaalsContact O-CB 3.27Å; I162-C165 WeakPolarHBondContact O-CB 3.3Å; I162-C165 PolarHBondContact O-N 2.92Å; I162-C165 VanDerWaalsContact O-N 3.07Å; C165-A167 PolarHBondContact SG-O 3.48Å; C165-F181 HydrophobicContact CB-CE1 4.36Å; C165-F181 HydrophobicContact CB-CZ 4.15Å; C165-I314 HydrophobicContact CB-CD1 4.46Å; C165-I314 VanDerWaalsContact O-CG2 3.27Å; C165-I314 WeakPolarHBondContact O-CG2 3.49Å
166	V	96.4	Very high	96.1	Very high	52 Å²	52	28.1 Å²	28.1	32%	0.315	16%	0.158	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.1	-21.3	179.8	-67.5	0	0	0	0	112.8	V81 S82 R164 K315	V81-V166 HydrophobicContact CB-CG1 3.74Å; V81-V166 HydrophobicContact CB-CG2 4.04Å; V81-V166 HydrophobicContact CG1-CG1 3.82Å; V81-V166 HydrophobicContact CG2-CG1 4.19Å; V81-V166 HydrophobicContact CG2-CG2 3.82Å; S82-V166 WeakPolarHBondContact O-CG2 3.05Å; S82-V166 PolarHBondContact O-N 3.48Å; R164-V166 PolarHBondContact O-N 3.17Å; V166-K315 PolarHBondContact O-N 2.91Å
167	A	98	Very high	96.4	Very high	4 Å²	4	25.1 Å²	25.1	3%	0.033	13%	0.133	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-152.2	146.9	-178.1	0	0	0	0	0	112.7	V83 V84 C165 K315 Y317	V83-A167 VanDerWaalsContact CA-O 3.3Å; V83-A167 WeakPolarHBondContact CA-O 3.37Å; V83-A167 HydrophobicContact CG2-CB 4.31Å; V84-A167 PolarHBondContact N-O 3.24Å; C165-A167 PolarHBondContact SG-O 3.48Å; A167-K315 CarbonylContact C-O 3.57Å; A167-K315 VanDerWaalsContact CA-O 3.23Å; A167-K315 WeakPolarHBondContact CA-O 3.16Å; A167-K315 HydrophobicContact CB-CB 4.18Å; A167-Y317 HydrophobicContact CB-CD2 4.5Å; A167-Y317 HydrophobicContact CB-CE2 3.84Å
168	A	98.7	Very high	96.6	Very high	0 Å²	0	19.2 Å²	19.2	0%	0	11%	0.105	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132	146.3	170.3	0	0	0	0	0	111	V84 F86 A178 F181 I314 K315 V316 Y317	V84-A168 WeakPolarHBondContact O-CA 3.31Å; F86-A168 HydrophobicContact CE2-CB 4.04Å; A168-A178 HydrophobicContact CB-CB 4.25Å; A168-F181 HydrophobicContact CB-CD1 3.8Å; A168-F181 HydrophobicContact CB-CE1 4.15Å; A168-I314 HydrophobicContact CB-CD1 3.85Å; A168-K315 PolarHBondContact N-O 3.28Å; A168-V316 HydrophobicContact CB-CG2 4.43Å; A168-V316 WeakPolarHBondContact O-CA 3.29Å; A168-Y317 PolarHBondContact O-N 3.06Å
169	A	98.8	Very high	96.9	Very high	0 Å²	0	17.7 Å²	17.7	0%	0	10%	0.095	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-146.4	142.4	172.1	0	0	0	0	0	109.8	V84 L85 F86 W345 I348 I352	V84-A169 PolarHBondContact O-N 2.83Å; L85-A169 CarbonylContact C-O 3.45Å; L85-A169 VanDerWaalsContact CA-O 3.27Å; L85-A169 WeakPolarHBondContact CA-O 3.35Å; L85-A169 HydrophobicContact CD2-CB 4.01Å; F86-A169 PolarHBondContact N-O 3.42Å; A169-W345 HydrophobicContact CB-CH2 3.95Å; A169-W345 HydrophobicContact CB-CZ3 3.96Å; A169-I348 HydrophobicContact CB-CG2 3.71Å; A169-I352 HydrophobicContact CB-CD1 3.78Å
170	G	98.8	Very high	97.1	Very high	1 Å²	1	14.7 Å²	14.7	1%	0.01	8%	0.075	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.1	136.3	178.4	0	0	0	0	0	111.7	F86 S172 N319	F86-G170 CarbonylContact O-C 3.57Å; F86-G170 VanDerWaalsContact O-CA 3.28Å; F86-G170 WeakPolarHBondContact O-CA 3.47Å; G170-S172 PolarHBondContact O-N 3.29Å; G170-N319 PolarHBondContact O-ND2 2.96Å; G170-N319 PolarHBondContact O-OD1 3.04Å
171	Y	98.6	Very high	97.4	Very high	31 Å²	31	10.8 Å²	10.8	12%	0.122	6%	0.057	C	C	.	.	S	Bend	trans	-80	115.6	-178.6	-174.4	-86.5	0	0	0	109.9	F86 G88 V173 G174 S248 L250 V343 W345 L374	F86-Y171 PolarHBondContact O-N 3.46Å; G88-Y171 VanDerWaalsContact CA-O 3.25Å; G88-Y171 WeakPolarHBondContact CA-O 3.48Å; Y171-V173 PolarHBondContact O-N 3.38Å; Y171-G174 PolarHBondContact O-N 2.93Å; Y171-S248 VanDerWaalsContact OH-CB 3.3Å; Y171-S248 WeakPolarHBondContact OH-CB 3.23Å; Y171-S248 PolarHBondContact OH-OG 2.79Å; Y171-L250 HydrophobicContact CE2-CD2 3.95Å; Y171-V343 HydrophobicContact CD2-CG1 3.74Å; Y171-V343 HydrophobicContact CE2-CG1 3.5Å; Y171-V343 HydrophobicContact CG-CG1 4.42Å; Y171-W345 HydrophobicContact CD2-CB 3.93Å; Y171-W345 AromaticContact CD2-CD2 3.66Å; Y171-W345 HydrophobicContact CD2-CD2 3.66Å; Y171-W345 AromaticContact CD2-CE3 3.86Å; Y171-W345 HydrophobicContact CD2-CE3 3.86Å; Y171-W345 AromaticContact CD2-CG 3.67Å; Y171-W345 HydrophobicContact CD2-CG 3.67Å; Y171-W345 HydrophobicContact CE2-CB 3.92Å; Y171-W345 HydrophobicContact CE2-CD2 4.5Å; Y171-W345 HydrophobicContact CE2-CG 4.06Å; Y171-W345 HydrophobicContact CG-CE3 4.49Å; Y171-L374 HydrophobicContact CD2-CD2 4.33Å; Y171-L374 HydrophobicContact CG-CD2 4.19Å
172	S	98.2	Very high	97.6	Very high	7 Å²	7	10.7 Å²	10.7	5%	0.049	6%	0.056	C	C	.	.	T	Hydrogen-bonded Turn	trans	55.9	-110.2	179.5	-175.8	0	0	0	0	112.5	G170 G174 E175 R197 H289 N319 Q338	G170-S172 PolarHBondContact O-N 3.29Å; S172-G174 PolarHBondContact O-N 3.22Å; S172-E175 VanDerWaalsContact O-CB 3.3Å; S172-E175 WeakPolarHBondContact O-CB 3.45Å; S172-E175 PolarHBondContact O-N 2.83Å; S172-E175 VanDerWaalsContact O-N 3.08Å; S172-R197 PolarHBondContact OG-NH2 2.94Å; S172-H289 WeakPolarHBondContact CB-NE2 3.41Å; S172-H289 PolarHBondContact OG-CE1 3.36Å; S172-H289 PolarHBondContact OG-NE2 2.85Å; S172-N319 PolarHBondContact N-ND2 2.85Å; S172-Q338 PolarHBondContact O-NE2 2.79Å
173	V	98.2	Very high	97.7	Very high	0 Å²	0	11.7 Å²	11.7	0%	0	7%	0.067	C	C	.	.	T	Hydrogen-bonded Turn	trans	-60.8	-27.7	176.9	68	0	0	0	0	112.4	Q140 I143 Y171 E175 Y176 V194	Q140-V173 HydrophobicContact CB-CG2 3.92Å; Q140-V173 HydrophobicContact CG-CB 4.21Å; Q140-V173 HydrophobicContact CG-CG1 4.38Å; Q140-V173 HydrophobicContact CG-CG2 4.05Å; I143-V173 HydrophobicContact CG2-CG1 4.42Å; Y171-V173 PolarHBondContact O-N 3.38Å; V173-E175 PolarHBondContact O-N 3.4Å; V173-E175 VanDerWaalsContact O-N 3.11Å; V173-Y176 WeakPolarHBondContact O-CB 3.41Å; V173-Y176 PolarHBondContact O-N 3.28Å; V173-Y176 VanDerWaalsContact O-N 3.11Å; V173-V194 HydrophobicContact CG2-CG1 3.93Å; V173-V194 HydrophobicContact CG2-CG2 4.3Å
174	G	98.5	Very high	97.9	Very high	1 Å²	1	7.9 Å²	7.9	1%	0.01	5%	0.047	C	C	.	.	H	α-helix	trans	-59.6	-21.6	174.9	0	0	0	0	0	113.3	F86 P87 Y171 S172 Y176 A177 A178	F86-G174 WeakPolarHBondContact CB-O 3.35Å; P87-G174 WeakPolarHBondContact O-CA 3.49Å; Y171-G174 PolarHBondContact O-N 2.93Å; S172-G174 PolarHBondContact O-N 3.22Å; G174-Y176 PolarHBondContact O-N 3.28Å; G174-A177 WeakPolarHBondContact O-CB 3.45Å; G174-A177 PolarHBondContact O-N 2.92Å; G174-A178 PolarHBondContact O-N 3.44Å
175	E	98.8	Very high	98.1	Very high	0 Å²	0	6.5 Å²	6.5	0%	0	4%	0.042	C	C	.	.	H	α-helix	trans	-61.2	-31.9	176.9	-165.7	173.2	163.4	0	0	112	S172 V173 A178 L179 S318 N319 Y325 L335 Q338	S172-E175 VanDerWaalsContact O-CB 3.3Å; S172-E175 WeakPolarHBondContact O-CB 3.45Å; S172-E175 PolarHBondContact O-N 2.83Å; S172-E175 VanDerWaalsContact O-N 3.08Å; V173-E175 PolarHBondContact O-N 3.4Å; V173-E175 VanDerWaalsContact O-N 3.11Å; E175-A178 PolarHBondContact O-N 3.03Å; E175-L179 HydrophobicContact CG-CD1 4.43Å; E175-L179 WeakPolarHBondContact O-CB 3.45Å; E175-L179 VanDerWaalsContact O-CG 3.29Å; E175-L179 WeakPolarHBondContact O-CG 3.49Å; E175-L179 PolarHBondContact O-N 3Å; E175-S318 WeakPolarHBondContact OE1-CA 3.36Å; E175-N319 WeakPolarHBondContact OE2-CB 3.41Å; E175-N319 PolarHBondContact OE2-N 3.45Å; E175-N319 PolarHBondContact OE2-ND2 3.39Å; E175-Y325 VanDerWaalsContact OE1-CE2 3.28Å; E175-Y325 WeakPolarHBondContact OE1-CE2 3.23Å; E175-Y325 VanDerWaalsContact OE1-CZ 3.27Å; E175-Y325 PolarHBondContact OE1-OH 3.21Å; E175-L335 HydrophobicContact CG-CD2 4.12Å; E175-Q338 PolarHBondContact OE2-NE2 2.7Å
176	Y	98.7	Very high	98.2	Very high	0 Å²	0	7.6 Å²	7.6	0%	0	5%	0.05	C	C	.	.	H	α-helix	trans	-66.2	-41	173.8	-71	-99.7	0	0	0	111	V173 G174 L179 V180 L185 L193 V194 L335	V173-Y176 WeakPolarHBondContact O-CB 3.41Å; V173-Y176 PolarHBondContact O-N 3.28Å; V173-Y176 VanDerWaalsContact O-N 3.11Å; G174-Y176 PolarHBondContact O-N 3.28Å; Y176-L179 PolarHBondContact O-N 2.97Å; Y176-V180 WeakPolarHBondContact O-CB 3.49Å; Y176-V180 VanDerWaalsContact O-CG2 3.27Å; Y176-V180 WeakPolarHBondContact O-CG2 3.36Å; Y176-V180 PolarHBondContact O-N 3.02Å; Y176-L185 HydrophobicContact CD1-CD2 4.19Å; Y176-L193 HydrophobicContact CD1-CB 4.25Å; Y176-L193 HydrophobicContact CE1-CB 3.8Å; Y176-L193 HydrophobicContact CE1-CD1 4.27Å; Y176-V194 HydrophobicContact CD1-CG2 3.92Å; Y176-V194 HydrophobicContact CD2-CG2 4.31Å; Y176-V194 HydrophobicContact CG-CG2 3.74Å; Y176-L335 HydrophobicContact CE1-CD1 4.04Å; Y176-L335 HydrophobicContact CE2-CD2 4.07Å
177	A	98.7	Very high	98.3	Very high	0 Å²	0	5.2 Å²	5.2	0%	0	4%	0.035	C	C	.	.	H	α-helix	trans	-65.8	-39.2	174.7	0	0	0	0	0	111.2	F86 F144 L148 G174 V180 F181	F86-A177 HydrophobicContact CB-CB 4.13Å; F86-A177 HydrophobicContact CD1-CB 3.38Å; F86-A177 HydrophobicContact CE1-CB 3.98Å; F86-A177 HydrophobicContact CG-CB 3.86Å; F144-A177 HydrophobicContact CD2-CB 3.93Å; F144-A177 HydrophobicContact CE2-CB 4.2Å; L148-A177 HydrophobicContact CD2-CB 4.01Å; L148-A177 WeakPolarHBondContact CD2-O 3.36Å; L148-A177 HydrophobicContact CG-CB 4.15Å; G174-A177 WeakPolarHBondContact O-CB 3.45Å; G174-A177 PolarHBondContact O-N 2.92Å; A177-V180 PolarHBondContact O-N 3.36Å; A177-F181 VanDerWaalsContact O-CB 3.25Å; A177-F181 WeakPolarHBondContact O-CB 3.38Å; A177-F181 PolarHBondContact O-N 2.86Å
178	A	98.7	Very high	98.2	Very high	0 Å²	0	9.9 Å²	9.9	0%	0	6%	0.055	C	C	.	.	H	α-helix	trans	-64.8	-39	175.2	0	0	0	0	0	112.9	F86 A168 G174 E175 G182 V316	F86-A178 HydrophobicContact CD2-CB 3.6Å; F86-A178 HydrophobicContact CE2-CB 3.94Å; F86-A178 HydrophobicContact CG-CB 4.38Å; A168-A178 HydrophobicContact CB-CB 4.25Å; G174-A178 PolarHBondContact O-N 3.44Å; E175-A178 PolarHBondContact O-N 3.03Å; A178-G182 PolarHBondContact O-N 3.09Å; A178-V316 HydrophobicContact CB-CG1 3.93Å
179	L	98.7	Very high	98.2	Very high	0 Å²	0	10.6 Å²	10.6	0%	0	6%	0.06	C	C	.	.	H	α-helix	trans	-68.9	-40.9	176.5	-76.5	168.2	0	0	0	112.2	E175 Y176 G182 G183 A184 L185 V316 Y325 I331 L335	E175-L179 HydrophobicContact CG-CD1 4.43Å; E175-L179 WeakPolarHBondContact O-CB 3.45Å; E175-L179 VanDerWaalsContact O-CG 3.29Å; E175-L179 WeakPolarHBondContact O-CG 3.49Å; E175-L179 PolarHBondContact O-N 3Å; Y176-L179 PolarHBondContact O-N 2.97Å; L179-G182 PolarHBondContact O-N 3.44Å; L179-G183 PolarHBondContact O-N 3.04Å; L179-A184 HydrophobicContact CB-CB 4.36Å; L179-A184 HydrophobicContact CD2-CB 3.83Å; L179-A184 WeakPolarHBondContact O-CB 3.4Å; L179-A184 PolarHBondContact O-N 3.23Å; L179-L185 HydrophobicContact CB-CB 4.31Å; L179-L185 PolarHBondContact O-N 3.44Å; L179-V316 HydrophobicContact CD2-CB 4.5Å; L179-V316 HydrophobicContact CD2-CG1 3.92Å; L179-V316 HydrophobicContact CG-CG1 4.14Å; L179-Y325 HydrophobicContact CD2-CD2 3.97Å; L179-Y325 HydrophobicContact CD2-CE2 3.96Å; L179-I331 HydrophobicContact CD1-CG2 3.68Å; L179-I331 HydrophobicContact CD2-CD1 3.93Å; L179-I331 HydrophobicContact CD2-CG1 4.3Å; L179-I331 HydrophobicContact CD2-CG2 3.97Å; L179-L335 HydrophobicContact CD1-CD1 3.66Å; L179-L335 HydrophobicContact CD1-CD2 3.94Å; L179-L335 HydrophobicContact CD1-CG 4.13Å
180	V	98.6	Very high	98.2	Very high	0 Å²	0	10.6 Å²	10.6	0%	0	6%	0.06	C	C	.	.	H	α-helix	trans	-62.3	-57.6	171.7	170.1	0	0	0	0	108.8	W64 Q68 F144 L148 Y176 A177 G182 G183 L185 F187 A190	W64-V180 HydrophobicContact CE3-CG1 3.93Å; W64-V180 HydrophobicContact CH2-CG1 3.98Å; W64-V180 HydrophobicContact CZ3-CG1 3.23Å; Q68-V180 PolarHBondContact NE2-O 3.28Å; Q68-V180 PolarHBondContact OE1-O 3.16Å; F144-V180 HydrophobicContact CE2-CG2 4.01Å; F144-V180 HydrophobicContact CZ-CG2 3.99Å; L148-V180 HydrophobicContact CD1-CB 4.01Å; L148-V180 HydrophobicContact CD1-CG1 3.47Å; L148-V180 VanDerWaalsContact CD1-CG1 3.47Å; L148-V180 HydrophobicContact CD2-CB 4.39Å; L148-V180 HydrophobicContact CD2-CG1 4.12Å; L148-V180 HydrophobicContact CG-CG1 4.46Å; Y176-V180 WeakPolarHBondContact O-CB 3.49Å; Y176-V180 VanDerWaalsContact O-CG2 3.27Å; Y176-V180 WeakPolarHBondContact O-CG2 3.36Å; Y176-V180 PolarHBondContact O-N 3.02Å; A177-V180 PolarHBondContact O-N 3.36Å; V180-G182 PolarHBondContact O-N 3.15Å; V180-G183 PolarHBondContact O-N 3.33Å; V180-L185 WeakPolarHBondContact CA-O 3.28Å; V180-L185 HydrophobicContact CG2-CB 4.1Å; V180-L185 HydrophobicContact CG2-CD2 4.2Å; V180-L185 HydrophobicContact CG2-CG 4.08Å; V180-L185 WeakPolarHBondContact CG2-O 3.48Å; V180-F187 HydrophobicContact CG1-CB 4.46Å; V180-A190 HydrophobicContact CG2-CB 3.28Å
181	F	98.2	Very high	98.2	Very high	5 Å²	5	10.6 Å²	10.6	2%	0.022	6%	0.06	C	C	.	.	H	α-helix	trans	-49.8	-40.4	175.8	175.3	-115.4	0	0	0	113.9	Q68 L71 V84 F86 L148 V151 I162 C165 A168 A177 G183 I314	Q68-F181 PolarHBondContact NE2-O 3.35Å; L71-F181 WeakPolarHBondContact CD1-O 3.3Å; V84-F181 HydrophobicContact CB-CD1 4.39Å; V84-F181 HydrophobicContact CB-CE1 3.87Å; V84-F181 HydrophobicContact CB-CZ 4.38Å; V84-F181 HydrophobicContact CG1-CE1 4.41Å; V84-F181 HydrophobicContact CG2-CE1 3.81Å; V84-F181 HydrophobicContact CG2-CZ 3.86Å; F86-F181 HydrophobicContact CE1-CB 4.27Å; F86-F181 HydrophobicContact CE2-CB 4.07Å; F86-F181 AromaticContact CE2-CD1 3.89Å; F86-F181 HydrophobicContact CE2-CD1 3.89Å; F86-F181 HydrophobicContact CE2-CG 4.18Å; F86-F181 HydrophobicContact CZ-CB 3.46Å; F86-F181 VanDerWaalsContact CZ-CB 3.46Å; F86-F181 AromaticContact CZ-CD1 3.77Å; F86-F181 HydrophobicContact CZ-CD1 3.77Å; F86-F181 HydrophobicContact CZ-CD2 4.4Å; F86-F181 AromaticContact CZ-CG 3.62Å; F86-F181 HydrophobicContact CZ-CG 3.62Å; L148-F181 HydrophobicContact CD2-CB 4.39Å; V151-F181 HydrophobicContact CG1-CD2 3.69Å; V151-F181 HydrophobicContact CG1-CE2 3.8Å; V151-F181 HydrophobicContact CG2-CD2 4.21Å; I162-F181 HydrophobicContact CD1-CE2 3.98Å; I162-F181 HydrophobicContact CD1-CZ 4.19Å; I162-F181 HydrophobicContact CG2-CE2 4.09Å; I162-F181 HydrophobicContact CG2-CZ 4.45Å; C165-F181 HydrophobicContact CB-CE1 4.36Å; C165-F181 HydrophobicContact CB-CZ 4.15Å; A168-F181 HydrophobicContact CB-CD1 3.8Å; A168-F181 HydrophobicContact CB-CE1 4.15Å; A177-F181 VanDerWaalsContact O-CB 3.25Å; A177-F181 WeakPolarHBondContact O-CB 3.38Å; A177-F181 PolarHBondContact O-N 2.86Å; F181-G183 VanDerWaalsContact C-N 3.27Å; F181-G183 PolarHBondContact O-N 3Å; F181-I314 HydrophobicContact CD1-CD1 3.79Å; F181-I314 HydrophobicContact CE1-CD1 3.42Å; F181-I314 VanDerWaalsContact CE1-CD1 3.42Å; F181-I314 HydrophobicContact CZ-CD1 4.34Å
182	G	97.5	Very high	98.1	Very high	0 Å²	0	11.9 Å²	11.9	0%	0	7%	0.067	C	C	.	.	T	Hydrogen-bonded Turn	trans	-76	1.4	177.7	0	0	0	0	0	116.1	A178 L179 V180 A184 P312 A313	A178-G182 PolarHBondContact O-N 3.09Å; L179-G182 PolarHBondContact O-N 3.44Å; V180-G182 PolarHBondContact O-N 3.15Å; G182-A184 VanDerWaalsContact C-N 3.34Å; G182-P312 CarbonylContact O-C 3.59Å; G182-P312 VanDerWaalsContact O-CA 3.32Å; G182-P312 WeakPolarHBondContact O-CA 3.44Å; G182-A313 PolarHBondContact O-N 3.22Å
183	G	96.9	Very high	98.1	Very high	27 Å²	27	11.6 Å²	11.6	28%	0.278	7%	0.065	S	C	.	.	T	Hydrogen-bonded Turn	trans	79.4	11.8	179.6	0	0	0	0	0	115.1	Q68 L179 V180 F181 S310	Q68-G183 VanDerWaalsContact OE1-CA 3.27Å; L179-G183 PolarHBondContact O-N 3.04Å; V180-G183 PolarHBondContact O-N 3.33Å; F181-G183 VanDerWaalsContact C-N 3.27Å; F181-G183 PolarHBondContact O-N 3Å; G183-S310 WeakPolarHBondContact O-CB 3.4Å
184	A	98	Very high	98.2	Very high	1 Å²	1	11.6 Å²	11.6	1%	0.008	7%	0.065	C	C	.	.	S	Bend	trans	-89.5	-20.1	-174.8	0	0	0	0	0	113.7	L179 G182 F309 S310 P312 I331	L179-A184 HydrophobicContact CB-CB 4.36Å; L179-A184 HydrophobicContact CD2-CB 3.83Å; L179-A184 WeakPolarHBondContact O-CB 3.4Å; L179-A184 PolarHBondContact O-N 3.23Å; G182-A184 VanDerWaalsContact C-N 3.34Å; A184-F309 CarbonylContact O-C 3.49Å; A184-F309 WeakPolarHBondContact O-CA 3.49Å; A184-S310 WeakPolarHBondContact CA-O 3.27Å; A184-S310 WeakPolarHBondContact CB-O 3.29Å; A184-S310 PolarHBondContact O-N 2.88Å; A184-P312 HydrophobicContact CB-CB 4.25Å; A184-P312 HydrophobicContact CB-CG 3.76Å; A184-I331 HydrophobicContact CB-CD1 4.04Å
185	L	97.2	Very high	98.1	Very high	5 Å²	5	15.1 Å²	15.1	3%	0.026	8%	0.08	C	C	.	.	S	Bend	trans	-145.3	135.4	-174.8	177.8	60.8	0	0	0	108.6	Y176 L179 V180 A190 L193 V307 F309	Y176-L185 HydrophobicContact CD1-CD2 4.19Å; L179-L185 HydrophobicContact CB-CB 4.31Å; L179-L185 PolarHBondContact O-N 3.44Å; V180-L185 WeakPolarHBondContact CA-O 3.28Å; V180-L185 HydrophobicContact CG2-CB 4.1Å; V180-L185 HydrophobicContact CG2-CD2 4.2Å; V180-L185 HydrophobicContact CG2-CG 4.08Å; V180-L185 WeakPolarHBondContact CG2-O 3.48Å; L185-A190 HydrophobicContact CD2-CB 3.52Å; L185-A190 HydrophobicContact CG-CB 3.87Å; L185-L193 HydrophobicContact CD1-CD1 4.05Å; L185-L193 HydrophobicContact CD2-CD1 4.02Å; L185-V307 HydrophobicContact CD1-CG1 3.39Å; L185-F309 HydrophobicContact CB-CD1 4.39Å; L185-F309 HydrophobicContact CB-CE1 4.29Å; L185-F309 HydrophobicContact CD1-CD1 4.33Å; L185-F309 HydrophobicContact CD1-CE1 3.87Å; L185-F309 HydrophobicContact CD1-CZ 4.2Å; L185-F309 HydrophobicContact CD2-CE1 4.17Å; L185-F309 HydrophobicContact CG-CE1 4.34Å
186	S	97.5	Very high	98.1	Very high	26 Å²	26	17.1 Å²	17.1	18%	0.182	9%	0.09	C	C	.	.			trans	-69.2	151.7	175.4	58.2	0	0	0	0	111.6	D65 K188 S189 A190	D65-S186 VanDerWaalsContact OD1-CA 3.26Å; D65-S186 WeakPolarHBondContact OD1-CA 3.38Å; D65-S186 VanDerWaalsContact OD1-CB 3.3Å; D65-S186 WeakPolarHBondContact OD1-CB 3.41Å; D65-S186 WeakPolarHBondContact OD2-CB 3.43Å; S186-K188 PolarHBondContact O-N 3Å; S186-S189 PolarHBondContact O-N 2.93Å; S186-S189 WeakPolarHBondContact OG-CB 3.45Å; S186-S189 PolarHBondContact OG-N 3.03Å; S186-S189 PolarHBondContact OG-OG 2.71Å; S186-A190 WeakPolarHBondContact O-CB 2.98Å; S186-A190 PolarHBondContact O-N 3.04Å
187	F	98.2	Very high	98.1	Very high	1 Å²	1	17.2 Å²	17.2	0%	0.004	9%	0.091	C	C	.	.	H	α-helix	trans	-57.8	-51.2	179.6	175	-106	0	0	0	111.6	W64 D65 M109 T112 A113 F144 V145 L148 V180 S189 A190 V191	W64-F187 HydrophobicContact CB-CB 4.46Å; W64-F187 HydrophobicContact CD2-CB 4.46Å; W64-F187 HydrophobicContact CE3-CB 4.07Å; D65-F187 PolarHBondContact OD1-N 2.94Å; M109-F187 HydrophobicContact CB-CE1 4.09Å; M109-F187 HydrophobicContact CB-CE2 4.47Å; M109-F187 HydrophobicContact CB-CZ 3.82Å; M109-F187 HydrophobicContact CE-CD2 4.32Å; M109-F187 HydrophobicContact CE-CE2 3.87Å; M109-F187 HydrophobicContact CE-CZ 4.34Å; M109-F187 HydrophobicContact CG-CE1 4.39Å; M109-F187 HydrophobicContact CG-CZ 4.27Å; M109-F187 WeakPolarHBondContact O-CE1 3.45Å; M109-F187 WeakPolarHBondContact O-CZ 3.35Å; T112-F187 HydrophobicContact CG2-CD1 4.13Å; T112-F187 HydrophobicContact CG2-CE1 3.97Å; A113-F187 HydrophobicContact CB-CZ 4.31Å; F144-F187 HydrophobicContact CE1-CD2 4.02Å; F144-F187 AromaticContact CE1-CE2 3.73Å; F144-F187 HydrophobicContact CE1-CE2 3.73Å; F144-F187 HydrophobicContact CZ-CD2 4.08Å; F144-F187 HydrophobicContact CZ-CE2 4.22Å; V145-F187 HydrophobicContact CG1-CZ 4.44Å; V145-F187 HydrophobicContact CG2-CE2 4.34Å; V145-F187 HydrophobicContact CG2-CZ 4.17Å; L148-F187 HydrophobicContact CD1-CD2 3.6Å; L148-F187 HydrophobicContact CD1-CE2 3.88Å; V180-F187 HydrophobicContact CG1-CB 4.46Å; F187-S189 PolarHBondContact O-N 3.43Å; F187-A190 WeakPolarHBondContact O-CB 3.49Å; F187-A190 PolarHBondContact O-N 3.28Å; F187-A190 VanDerWaalsContact O-N 3.15Å; F187-V191 HydrophobicContact CD1-CG2 4.39Å; F187-V191 HydrophobicContact CD2-CG2 4.48Å; F187-V191 HydrophobicContact CE1-CG2 3.93Å; F187-V191 HydrophobicContact CE2-CG2 4.06Å; F187-V191 HydrophobicContact CZ-CG2 3.76Å; F187-V191 WeakPolarHBondContact O-CG2 3.28Å; F187-V191 PolarHBondContact O-N 3.19Å
188	K	97.6	Very high	98	Very high	103 Å²	103	17.2 Å²	17.2	45%	0.448	9%	0.091	S	C	.	.	H	α-helix	trans	-58.9	-47.5	-179.1	-172.3	178.9	178.8	-176.3	0	112.4	T112 V116 S186 A190 V191 H192	T112-K188 HydrophobicContact CG2-CG 4.49Å; V116-K188 HydrophobicContact CG2-CG 4.09Å; S186-K188 PolarHBondContact O-N 3Å; K188-A190 VanDerWaalsContact C-N 3.29Å; K188-A190 PolarHBondContact O-N 3.11Å; K188-V191 PolarHBondContact O-N 3.39Å; K188-H192 PolarHBondContact O-CD2 2.91Å; K188-H192 VanDerWaalsContact O-CD2 3.27Å; K188-H192 PolarHBondContact O-N 3.35Å; K188-H192 VanDerWaalsContact O-N 3.16Å
189	S	97.7	Very high	97.9	Very high	14 Å²	14	18.8 Å²	18.8	10%	0.098	10%	0.102	C	C	.	.	H	α-helix	trans	-64.2	-36	177.7	-63.3	0	0	0	0	111.8	S186 F187 H192 L193	S186-S189 PolarHBondContact O-N 2.93Å; S186-S189 WeakPolarHBondContact OG-CB 3.45Å; S186-S189 PolarHBondContact OG-N 3.03Å; S186-S189 PolarHBondContact OG-OG 2.71Å; F187-S189 PolarHBondContact O-N 3.43Å; S189-H192 PolarHBondContact O-N 2.85Å; S189-L193 WeakPolarHBondContact O-CG 3.22Å; S189-L193 PolarHBondContact O-N 3.37Å
190	A	98.4	Very high	97.9	Very high	0 Å²	0	20.3 Å²	20.3	0%	0	11%	0.109	C	C	.	.	H	α-helix	trans	-63.9	-42.2	174	0	0	0	0	0	112.9	F144 V180 L185 S186 F187 K188 H192 L193 V194	F144-A190 HydrophobicContact CE1-CB 4.18Å; F144-A190 HydrophobicContact CE2-CB 3.78Å; F144-A190 HydrophobicContact CZ-CB 3.35Å; V180-A190 HydrophobicContact CG2-CB 3.28Å; L185-A190 HydrophobicContact CD2-CB 3.52Å; L185-A190 HydrophobicContact CG-CB 3.87Å; S186-A190 WeakPolarHBondContact O-CB 2.98Å; S186-A190 PolarHBondContact O-N 3.04Å; F187-A190 WeakPolarHBondContact O-CB 3.49Å; F187-A190 PolarHBondContact O-N 3.28Å; F187-A190 VanDerWaalsContact O-N 3.15Å; K188-A190 VanDerWaalsContact C-N 3.29Å; K188-A190 PolarHBondContact O-N 3.11Å; A190-H192 VanDerWaalsContact C-N 3.3Å; A190-H192 PolarHBondContact O-N 3.11Å; A190-L193 PolarHBondContact O-N 3.22Å; A190-V194 WeakPolarHBondContact O-CB 3.43Å; A190-V194 VanDerWaalsContact O-CG2 3.3Å; A190-V194 WeakPolarHBondContact O-CG2 3.27Å; A190-V194 PolarHBondContact O-N 2.86Å
191	V	98.4	Very high	97.8	Very high	1 Å²	1	20.4 Å²	20.4	1%	0.006	11%	0.11	C	C	.	.	H	α-helix	trans	-58.8	-44.4	174.7	-178	0	0	0	0	110.5	A113 V116 L117 F144 F187 K188 V194 K195	A113-V191 HydrophobicContact CB-CG1 4.17Å; A113-V191 HydrophobicContact CB-CG2 4.13Å; V116-V191 HydrophobicContact CB-CB 4.4Å; V116-V191 HydrophobicContact CB-CG1 3.81Å; V116-V191 HydrophobicContact CG1-CB 4.06Å; V116-V191 HydrophobicContact CG1-CG1 3.57Å; L117-V191 HydrophobicContact CD1-CG1 4.39Å; L117-V191 HydrophobicContact CD2-CG1 4.26Å; L117-V191 HydrophobicContact CG-CG1 4Å; F144-V191 HydrophobicContact CD1-CG2 4.34Å; F144-V191 HydrophobicContact CE1-CG2 3.69Å; F187-V191 HydrophobicContact CD1-CG2 4.39Å; F187-V191 HydrophobicContact CD2-CG2 4.48Å; F187-V191 HydrophobicContact CE1-CG2 3.93Å; F187-V191 HydrophobicContact CE2-CG2 4.06Å; F187-V191 HydrophobicContact CZ-CG2 3.76Å; F187-V191 WeakPolarHBondContact O-CG2 3.28Å; F187-V191 PolarHBondContact O-N 3.19Å; K188-V191 PolarHBondContact O-N 3.39Å; V191-V194 PolarHBondContact O-N 3.43Å; V191-K195 WeakPolarHBondContact O-CB 3.48Å; V191-K195 PolarHBondContact O-N 3.31Å
192	H	97.9	Very high	97.6	Very high	58 Å²	58	21.8 Å²	21.8	27%	0.269	12%	0.116	S	C	.	.	H	α-helix	trans	-59.6	-47.4	175.6	-82.2	-81.2	0	0	0	112	V116 K188 S189 A190 K195 I196	V116-H192 HydrophobicContact CG1-CB 4.35Å; K188-H192 PolarHBondContact O-CD2 2.91Å; K188-H192 VanDerWaalsContact O-CD2 3.27Å; K188-H192 PolarHBondContact O-N 3.35Å; K188-H192 VanDerWaalsContact O-N 3.16Å; S189-H192 PolarHBondContact O-N 2.85Å; A190-H192 VanDerWaalsContact C-N 3.3Å; A190-H192 PolarHBondContact O-N 3.11Å; H192-K195 WeakPolarHBondContact O-CB 3.47Å; H192-K195 PolarHBondContact O-N 3.08Å; H192-I196 WeakPolarHBondContact O-CG1 3.36Å; H192-I196 PolarHBondContact O-N 3.4Å
193	L	98.6	Very high	97.5	Very high	2 Å²	2	24.2 Å²	24.2	1%	0.01	13%	0.131	C	C	.	.	H	α-helix	trans	-64.6	-42	179.6	-71.4	171.7	0	0	0	112.2	Y176 L185 S189 A190 I196 R197 A303 L304 V307 F309	Y176-L193 HydrophobicContact CD1-CB 4.25Å; Y176-L193 HydrophobicContact CE1-CB 3.8Å; Y176-L193 HydrophobicContact CE1-CD1 4.27Å; L185-L193 HydrophobicContact CD1-CD1 4.05Å; L185-L193 HydrophobicContact CD2-CD1 4.02Å; S189-L193 WeakPolarHBondContact O-CG 3.22Å; S189-L193 PolarHBondContact O-N 3.37Å; A190-L193 PolarHBondContact O-N 3.22Å; L193-I196 PolarHBondContact O-N 2.76Å; L193-R197 VanDerWaalsContact O-CB 3.29Å; L193-R197 WeakPolarHBondContact O-CB 3.37Å; L193-R197 PolarHBondContact O-N 3.44Å; L193-A303 HydrophobicContact CD2-CB 3.95Å; L193-L304 HydrophobicContact CD1-CD2 3.78Å; L193-L304 HydrophobicContact CD2-CD2 3.84Å; L193-L304 HydrophobicContact CD2-CG 4.18Å; L193-L304 HydrophobicContact CG-CD2 4.39Å; L193-V307 HydrophobicContact CD1-CB 4.26Å; L193-V307 HydrophobicContact CD1-CG1 4.15Å; L193-V307 HydrophobicContact CD1-CG2 3.99Å; L193-V307 HydrophobicContact CD2-CG2 4Å; L193-V307 HydrophobicContact CG-CG2 4.04Å; L193-F309 HydrophobicContact CD1-CZ 4.1Å
194	V	98.5	Very high	97.5	Very high	0 Å²	0	23.1 Å²	23.1	0%	0	12%	0.12	C	C	.	.	H	α-helix	trans	-66	-39.9	177.5	173.5	0	0	0	0	110.9	Q140 P141 F144 V173 Y176 A190 V191 I196 R197 A198	Q140-V194 HydrophobicContact CB-CG1 3.99Å; P141-V194 HydrophobicContact CB-CG1 4.4Å; P141-V194 HydrophobicContact CG-CG1 4.11Å; F144-V194 HydrophobicContact CB-CG1 4.29Å; F144-V194 HydrophobicContact CB-CG2 4.37Å; F144-V194 HydrophobicContact CD2-CG2 4.1Å; F144-V194 HydrophobicContact CG-CG2 4.05Å; V173-V194 HydrophobicContact CG2-CG1 3.93Å; V173-V194 HydrophobicContact CG2-CG2 4.3Å; Y176-V194 HydrophobicContact CD1-CG2 3.92Å; Y176-V194 HydrophobicContact CD2-CG2 4.31Å; Y176-V194 HydrophobicContact CG-CG2 3.74Å; A190-V194 WeakPolarHBondContact O-CB 3.43Å; A190-V194 VanDerWaalsContact O-CG2 3.3Å; A190-V194 WeakPolarHBondContact O-CG2 3.27Å; A190-V194 PolarHBondContact O-N 2.86Å; V191-V194 PolarHBondContact O-N 3.43Å; V194-I196 VanDerWaalsContact C-N 3.34Å; V194-I196 PolarHBondContact O-N 3.3Å; V194-R197 PolarHBondContact O-N 2.88Å; V194-A198 VanDerWaalsContact O-CB 3.23Å; V194-A198 WeakPolarHBondContact O-CB 3.34Å; V194-A198 PolarHBondContact O-N 3.49Å
195	K	98.2	Very high	97.3	Very high	75 Å²	75	23.6 Å²	23.6	33%	0.326	12%	0.123	S	C	.	.	H	α-helix	trans	-56.7	-47.2	172.1	-177.9	-173.5	-173.3	175.7	0	111.7	V116 L117 V191 H192 S199	V116-K195 PolarHBondContact O-NZ 3.44Å; L117-K195 HydrophobicContact CD2-CB 3.86Å; L117-K195 HydrophobicContact CD2-CD 4.19Å; L117-K195 HydrophobicContact CD2-CG 3.94Å; L117-K195 WeakPolarHBondContact O-CE 3.4Å; L117-K195 PolarHBondContact O-NZ 2.72Å; V191-K195 WeakPolarHBondContact O-CB 3.48Å; V191-K195 PolarHBondContact O-N 3.31Å; H192-K195 WeakPolarHBondContact O-CB 3.47Å; H192-K195 PolarHBondContact O-N 3.08Å; K195-S199 WeakPolarHBondContact O-CB 3.08Å; K195-S199 PolarHBondContact O-N 2.8Å; K195-S199 VanDerWaalsContact O-N 3.15Å; K195-S199 PolarHBondContact O-OG 2.91Å
196	I	98.1	Very high	97.2	Very high	42 Å²	42	29.5 Å²	29.5	22%	0.215	15%	0.15	C	C	.	.	H	α-helix	trans	-66.4	-49	179.1	-68.7	167.1	0	0	0	110.3	H192 L193 V194 A198 S199 L200 A303	H192-I196 WeakPolarHBondContact O-CG1 3.36Å; H192-I196 PolarHBondContact O-N 3.4Å; L193-I196 PolarHBondContact O-N 2.76Å; V194-I196 VanDerWaalsContact C-N 3.34Å; V194-I196 PolarHBondContact O-N 3.3Å; I196-A198 PolarHBondContact O-N 3.41Å; I196-S199 PolarHBondContact O-N 3.39Å; I196-L200 HydrophobicContact CG2-CD1 3.52Å; I196-L200 HydrophobicContact CG2-CG 4.1Å; I196-L200 WeakPolarHBondContact O-CB 3.37Å; I196-L200 VanDerWaalsContact O-CG 3.27Å; I196-L200 WeakPolarHBondContact O-CG 3.45Å; I196-L200 PolarHBondContact O-N 2.96Å; I196-A303 HydrophobicContact CD1-CB 3.72Å; I196-A303 HydrophobicContact CG2-CB 3.95Å
197	R	98.4	Very high	97.1	Very high	2 Å²	2	34.1 Å²	34.1	1%	0.008	17%	0.17	C	C	.	.	H	α-helix	trans	-52.1	-52.7	176.8	-177.4	-177	-173.8	-88	5.2	111.3	S172 L193 V194 S199 L200 M201 L300 V339	S172-R197 PolarHBondContact OG-NH2 2.94Å; L193-R197 VanDerWaalsContact O-CB 3.29Å; L193-R197 WeakPolarHBondContact O-CB 3.37Å; L193-R197 PolarHBondContact O-N 3.44Å; V194-R197 PolarHBondContact O-N 2.88Å; R197-S199 VanDerWaalsContact C-N 3.34Å; R197-S199 PolarHBondContact O-N 3.07Å; R197-L200 PolarHBondContact O-N 2.87Å; R197-M201 HydrophobicContact CG-SD 3.88Å; R197-M201 PolarHBondContact NH1-SD 3.17Å; R197-M201 VanDerWaalsContact NH1-SD 3.37Å; R197-M201 WeakPolarHBondContact O-CB 3.34Å; R197-M201 VanDerWaalsContact O-CG 3.3Å; R197-M201 WeakPolarHBondContact O-CG 3.36Å; R197-M201 PolarHBondContact O-N 3.07Å; R197-L300 HydrophobicContact CB-CD1 4.17Å; R197-L300 HydrophobicContact CG-CD2 4.35Å; R197-V339 HydrophobicContact CG-CG1 4.08Å
198	A	97.5	Very high	96.8	Very high	0 Å²	0	35.3 Å²	35.3	0%	0	18%	0.18	C	C	.	.	H	α-helix	trans	-61.4	-42.8	-177.5	0	0	0	0	0	112	T136 Q140 V194 I196 Q202	T136-A198 WeakPolarHBondContact O-CB 3.47Å; Q140-A198 HydrophobicContact CB-CB 3.85Å; Q140-A198 HydrophobicContact CG-CB 4.31Å; V194-A198 VanDerWaalsContact O-CB 3.23Å; V194-A198 WeakPolarHBondContact O-CB 3.34Å; V194-A198 PolarHBondContact O-N 3.49Å; I196-A198 PolarHBondContact O-N 3.41Å; A198-Q202 WeakPolarHBondContact O-CB 3.35Å; A198-Q202 PolarHBondContact O-N 2.92Å
199	S	96.5	Very high	96.8	Very high	33 Å²	33	35 Å²	35	23%	0.231	19%	0.189	C	C	.	.	H	α-helix	trans	-67.6	-45.1	178.8	-57.2	0	0	0	0	111.9	K195 I196 R197 Q202 T203	K195-S199 WeakPolarHBondContact O-CB 3.08Å; K195-S199 PolarHBondContact O-N 2.8Å; K195-S199 VanDerWaalsContact O-N 3.15Å; K195-S199 PolarHBondContact O-OG 2.91Å; I196-S199 PolarHBondContact O-N 3.39Å; R197-S199 VanDerWaalsContact C-N 3.34Å; R197-S199 PolarHBondContact O-N 3.07Å; S199-Q202 PolarHBondContact O-N 3.44Å; S199-T203 PolarHBondContact O-N 3.47Å; S199-T203 PolarHBondContact O-OG1 3.05Å
200	L	97.4	Very high	96.8	Very high	32 Å²	32	35 Å²	35	17%	0.168	19%	0.188	C	C	.	.	H	α-helix	trans	-64.2	-42.4	178.5	-72.6	173.6	0	0	0	112.2	I196 R197 T203 A204 A296 G299 L300	I196-L200 HydrophobicContact CG2-CD1 3.52Å; I196-L200 HydrophobicContact CG2-CG 4.1Å; I196-L200 WeakPolarHBondContact O-CB 3.37Å; I196-L200 VanDerWaalsContact O-CG 3.27Å; I196-L200 WeakPolarHBondContact O-CG 3.45Å; I196-L200 PolarHBondContact O-N 2.96Å; R197-L200 PolarHBondContact O-N 2.87Å; L200-T203 PolarHBondContact O-N 3.13Å; L200-A204 WeakPolarHBondContact O-CB 3.39Å; L200-A204 PolarHBondContact O-N 2.92Å; L200-A296 HydrophobicContact CB-CB 3.82Å; L200-G299 VanDerWaalsContact CD1-C 3.43Å; L200-L300 HydrophobicContact CD1-CB 4.08Å; L200-L300 VanDerWaalsContact CD1-N 3.27Å
201	M	97.4	Very high	96.8	Very high	1 Å²	1	35 Å²	35	1%	0.005	19%	0.188	C	C	.	.	H	α-helix	trans	-64.7	-41.6	176.1	-72.8	178.1	67.3	0	0	111.6	T136 Q140 R197 T203 A204 C205 F288 M293 A296 V339	T136-M201 HydrophobicContact CG2-CB 4.29Å; Q140-M201 PolarHBondContact NE2-SD 3.48Å; R197-M201 HydrophobicContact CG-SD 3.88Å; R197-M201 PolarHBondContact NH1-SD 3.17Å; R197-M201 VanDerWaalsContact NH1-SD 3.37Å; R197-M201 WeakPolarHBondContact O-CB 3.34Å; R197-M201 VanDerWaalsContact O-CG 3.3Å; R197-M201 WeakPolarHBondContact O-CG 3.36Å; R197-M201 PolarHBondContact O-N 3.07Å; M201-T203 PolarHBondContact O-N 3.44Å; M201-A204 PolarHBondContact O-N 3.24Å; M201-C205 PolarHBondContact O-N 3.26Å; M201-C205 PolarHBondContact O-SG 2.76Å; M201-F288 HydrophobicContact CE-CB 3.86Å; M201-F288 HydrophobicContact CE-CD1 3.26Å; M201-F288 HydrophobicContact CE-CD2 4.24Å; M201-F288 HydrophobicContact CE-CE1 3.78Å; M201-F288 HydrophobicContact CE-CG 3.54Å; M201-F288 HydrophobicContact CE-CZ 4.46Å; M201-M293 HydrophobicContact CB-SD 4.22Å; M201-M293 HydrophobicContact CE-SD 4.43Å; M201-M293 HydrophobicContact CG-SD 4.19Å; M201-A296 HydrophobicContact CG-CB 4.19Å; M201-V339 HydrophobicContact CG-CB 4.44Å; M201-V339 HydrophobicContact CG-CG1 4.25Å; M201-V339 HydrophobicContact SD-CB 4.33Å; M201-V339 HydrophobicContact SD-CG1 3.81Å
202	Q	93.8	Very high	96.7	Very high	34 Å²	34	35.4 Å²	35.4	16%	0.159	19%	0.19	C	C	.	.	H	α-helix	trans	-58.1	-47.8	175	-179.8	60.7	50.1	0	0	111.1	A198 S199 A204 C205 E206	A198-Q202 WeakPolarHBondContact O-CB 3.35Å; A198-Q202 PolarHBondContact O-N 2.92Å; S199-Q202 PolarHBondContact O-N 3.44Å; Q202-A204 VanDerWaalsContact C-N 3.33Å; Q202-A204 PolarHBondContact O-N 2.69Å; Q202-C205 WeakPolarHBondContact O-CB 3.17Å; Q202-C205 PolarHBondContact O-N 3.4Å; Q202-E206 WeakPolarHBondContact CG-OE1 3.47Å; Q202-E206 PolarHBondContact NE2-OE1 3.05Å; Q202-E206 WeakPolarHBondContact O-CG 3.46Å; Q202-E206 PolarHBondContact O-N 2.89Å
203	T	95.5	Very high	96.8	Very high	52 Å²	52	33 Å²	33	32%	0.319	18%	0.18	S	C	.	.	H	α-helix	trans	-63.8	-36.5	176.3	-62.1	0	0	0	0	112.6	S199 L200 M201 C205 E206 M207	S199-T203 PolarHBondContact O-N 3.47Å; S199-T203 PolarHBondContact O-OG1 3.05Å; L200-T203 PolarHBondContact O-N 3.13Å; M201-T203 PolarHBondContact O-N 3.44Å; T203-C205 VanDerWaalsContact C-N 3.34Å; T203-E206 PolarHBondContact O-N 2.92Å; T203-M207 HydrophobicContact CG2-CE 4.1Å
204	A	96.5	Very high	96.7	Very high	4 Å²	4	33.9 Å²	33.9	3%	0.033	19%	0.185	C	C	.	.	H	α-helix	trans	-64.1	-38.7	174.7	0	0	0	0	0	112.2	L200 M201 Q202 E206 M207 M293 S295 A296	L200-A204 WeakPolarHBondContact O-CB 3.39Å; L200-A204 PolarHBondContact O-N 2.92Å; M201-A204 PolarHBondContact O-N 3.24Å; Q202-A204 VanDerWaalsContact C-N 3.33Å; Q202-A204 PolarHBondContact O-N 2.69Å; A204-E206 PolarHBondContact O-N 2.99Å; A204-M207 WeakPolarHBondContact O-CB 3.39Å; A204-M207 PolarHBondContact O-N 2.75Å; A204-M293 HydrophobicContact CB-CE 3.79Å; A204-M293 HydrophobicContact CB-SD 3.82Å; A204-S295 WeakPolarHBondContact CB-OG 3.2Å; A204-A296 HydrophobicContact CB-CB 4.21Å
205	C	94.8	Very high	96.7	Very high	10 Å²	10	34 Å²	34	7%	0.068	19%	0.186	C	C	.	.	H	α-helix	trans	-62.1	-29.2	175.2	-67.4	0	0	0	0	113.5	M201 Q202 T203 M207 S285 G286 F288	M201-C205 PolarHBondContact O-N 3.26Å; M201-C205 PolarHBondContact O-SG 2.76Å; Q202-C205 WeakPolarHBondContact O-CB 3.17Å; Q202-C205 PolarHBondContact O-N 3.4Å; T203-C205 VanDerWaalsContact C-N 3.34Å; C205-M207 VanDerWaalsContact C-N 3.26Å; C205-M207 PolarHBondContact O-N 3.24Å; C205-S285 WeakPolarHBondContact CB-O 3.43Å; C205-S285 PolarHBondContact SG-OG 3.38Å; C205-G286 VanDerWaalsContact SG-CA 3.56Å; C205-G286 PolarHBondContact SG-N 2.91Å; C205-F288 WeakPolarHBondContact SG-CE1 3.49Å
206	E	94	Very high	96.7	Very high	130 Å²	130	35.6 Å²	35.6	61%	0.607	19%	0.19	S	C	*	.	T	Hydrogen-bonded Turn	trans	-76.5	-13.4	179.7	-68.7	157.8	-168.3	0	0	112.7	Q202 T203 A204	Q202-E206 WeakPolarHBondContact CG-OE1 3.47Å; Q202-E206 PolarHBondContact NE2-OE1 3.05Å; Q202-E206 WeakPolarHBondContact O-CG 3.46Å; Q202-E206 PolarHBondContact O-N 2.89Å; T203-E206 PolarHBondContact O-N 2.92Å; A204-E206 PolarHBondContact O-N 2.99Å
207	M	95.1	Very high	96.6	Very high	123 Å²	123	34.6 Å²	34.6	61%	0.606	19%	0.185	S	C	*	.	T	Hydrogen-bonded Turn	trans	-75.4	-30.4	-178.2	-60.7	-179.5	-174.2	0	0	113.4	T203 A204 C205 S295	T203-M207 HydrophobicContact CG2-CE 4.1Å; A204-M207 WeakPolarHBondContact O-CB 3.39Å; A204-M207 PolarHBondContact O-N 2.75Å; C205-M207 VanDerWaalsContact C-N 3.26Å; C205-M207 PolarHBondContact O-N 3.24Å; M207-S295 WeakPolarHBondContact CE-OG 3.3Å; M207-S295 PolarHBondContact SD-OG 3.08Å
208	A	93.4	Very high	96.5	Very high	25 Å²	25	38.3 Å²	38.3	21%	0.207	20%	0.202	C	C	.	.	S	Bend	trans	-155.8	139.1	-178.4	0	0	0	0	0	112.5	S210	A208-S210 PolarHBondContact O-N 3.39Å; A208-S210 VanDerWaalsContact O-N 3.08Å; A208-S210 PolarHBondContact O-OG 2.83Å
209	P	96.2	Very high	96.3	Very high	98 Å²	98	43 Å²	43	64%	0.636	24%	0.241	S	C	*	.			trans	-58.7	113.6	173.8	-23.5	33.7	0	0	0	112	D261	P209-D261 HydrophobicContact CB-CB 4.47Å; P209-D261 PolarHBondContact O-N 3.48Å; P209-D261 VanDerWaalsContact O-N 3.08Å
210	S	98	Very high	96.1	Very high	12 Å²	12	45.7 Å²	45.7	8%	0.084	27%	0.273	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-151	171	-173	64.3	0	0	0	0	111.3	A208 G259 D261 G286 A287	A208-S210 PolarHBondContact O-N 3.39Å; A208-S210 VanDerWaalsContact O-N 3.08Å; A208-S210 PolarHBondContact O-OG 2.83Å; S210-G259 VanDerWaalsContact CA-O 3.3Å; S210-G259 WeakPolarHBondContact CA-O 3.45Å; S210-G259 VanDerWaalsContact CB-O 3.27Å; S210-G259 WeakPolarHBondContact CB-O 3.41Å; S210-D261 VanDerWaalsContact C-OD1 3.27Å; S210-D261 WeakPolarHBondContact CA-OD1 3.39Å; S210-G286 VanDerWaalsContact OG-CA 3.32Å; S210-G286 WeakPolarHBondContact OG-CA 3.5Å; S210-A287 PolarHBondContact OG-N 3.33Å; S210-A287 VanDerWaalsContact OG-N 3.12Å
211	G	97.8	Very high	96.1	Very high	0 Å²	0	45.4 Å²	45.4	0%	0	28%	0.276	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-172.6	-158.1	174.4	0	0	0	0	0	113	G258 G259 L264 A287	G211-G258 WeakPolarHBondContact O-CA 3.23Å; G211-G259 PolarHBondContact N-O 3.36Å; G211-G259 PolarHBondContact O-N 2.84Å; G211-L264 VanDerWaalsContact O-CD1 3.3Å; G211-L264 WeakPolarHBondContact O-CD1 3.22Å; G211-A287 VanDerWaalsContact O-CA 3.29Å; G211-A287 WeakPolarHBondContact O-CA 3.44Å; G211-A287 VanDerWaalsContact O-CB 3.24Å; G211-A287 WeakPolarHBondContact O-CB 3.36Å
212	M	98.3	Very high	95.9	Very high	10 Å²	10	49.5 Å²	49.5	5%	0.049	30%	0.298	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.3	141.5	-179.7	-58.3	176.6	81.4	0	0	110.8	A247 V256 I257 R281 I282 V284 F288	M212-A247 HydrophobicContact CE-CB 3.54Å; M212-V256 HydrophobicContact CB-CG1 3.77Å; M212-V256 HydrophobicContact CE-CB 4.39Å; M212-V256 HydrophobicContact CE-CG1 3.46Å; M212-V256 VanDerWaalsContact CE-CG1 3.46Å; M212-V256 HydrophobicContact CG-CG1 4.42Å; M212-I257 CarbonylContact C-O 3.58Å; M212-I257 VanDerWaalsContact CA-O 3.3Å; M212-I257 WeakPolarHBondContact CA-O 3.4Å; M212-R281 WeakPolarHBondContact O-CD 3.49Å; M212-I282 HydrophobicContact CB-CB 4.13Å; M212-I282 HydrophobicContact CB-CD1 3.9Å; M212-I282 HydrophobicContact CB-CG1 4.2Å; M212-I282 PolarHBondContact O-N 3.05Å; M212-V284 HydrophobicContact CB-CG2 4.12Å; M212-V284 HydrophobicContact CG-CG2 3.95Å; M212-V284 HydrophobicContact SD-CG2 3.94Å; M212-F288 HydrophobicContact CE-CB 4.37Å; M212-F288 HydrophobicContact SD-CB 3.86Å; M212-F288 HydrophobicContact SD-CD2 3.85Å; M212-F288 HydrophobicContact SD-CG 4.12Å
213	L	98.2	Very high	96	Very high	8 Å²	8	48.9 Å²	48.9	4%	0.042	30%	0.295	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.3	119	-179.1	178.7	65	0	0	0	109.4	M215 I257 L264 L267 A268 P278	L213-M215 HydrophobicContact CD2-CE 4.24Å; L213-M215 HydrophobicContact CD2-CG 3.96Å; L213-M215 HydrophobicContact CD2-SD 4.03Å; L213-M215 HydrophobicContact CG-CG 3.88Å; L213-I257 PolarHBondContact N-O 3.2Å; L213-I257 PolarHBondContact O-N 2.98Å; L213-L264 HydrophobicContact CB-CD2 4.14Å; L213-L267 HydrophobicContact CD2-CB 4.09Å; L213-A268 HydrophobicContact CD2-CB 4.45Å; L213-P278 HydrophobicContact CD1-CB 4.26Å; L213-P278 HydrophobicContact CD2-CB 4.48Å
214	T	97.8	Very high	96.1	Very high	21 Å²	21	52 Å²	52	13%	0.129	31%	0.306	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.8	127	169.4	-55.9	0	0	0	0	108.9	C254 V279 K280	T214-C254 VanDerWaalsContact CG2-SG 3.54Å; T214-V279 HydrophobicContact CG2-CB 4.02Å; T214-V279 HydrophobicContact CG2-CG1 4.34Å; T214-V279 HydrophobicContact CG2-CG2 4.42Å; T214-V279 WeakPolarHBondContact O-CB 3.34Å; T214-V279 PolarHBondContact O-N 3.06Å; T214-K280 PolarHBondContact N-O 3.21Å; T214-K280 PolarHBondContact O-N 3.03Å
215	M	97.5	Very high	96.1	Very high	1 Å²	1	53.4 Å²	53.4	1%	0.005	32%	0.318	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.2	138.4	179.5	-59.6	-163.5	87.2	0	0	110.9	L213 C254 K255 I257 L267 L276 I277	L213-M215 HydrophobicContact CD2-CE 4.24Å; L213-M215 HydrophobicContact CD2-CG 3.96Å; L213-M215 HydrophobicContact CD2-SD 4.03Å; L213-M215 HydrophobicContact CG-CG 3.88Å; M215-C254 WeakPolarHBondContact O-CA 3.27Å; M215-K255 PolarHBondContact N-O 2.49Å; M215-K255 PolarHBondContact O-N 2.85Å; M215-K255 VanDerWaalsContact O-N 3.08Å; M215-I257 HydrophobicContact CB-CG1 4.48Å; M215-I257 HydrophobicContact CG-CG1 4Å; M215-I257 HydrophobicContact SD-CG1 3.83Å; M215-L267 HydrophobicContact CE-CB 4.04Å; M215-L267 HydrophobicContact SD-CB 4.07Å; M215-L267 HydrophobicContact SD-CD1 4Å; M215-L276 HydrophobicContact CE-CB 3.43Å; M215-L276 VanDerWaalsContact CE-CB 3.43Å; M215-L276 HydrophobicContact CE-CD1 4.21Å; M215-L276 HydrophobicContact CE-CG 4.48Å; M215-L276 HydrophobicContact SD-CB 4.21Å; M215-L276 HydrophobicContact SD-CD1 4.15Å; M215-I277 WeakPolarHBondContact CA-O 3.26Å
216	R	97.6	Very high	96.3	Very high	109 Å²	109	52.9 Å²	52.9	41%	0.411	32%	0.315	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.8	129	167.4	-175.7	172.8	66.3	100.9	-9.4	109.1	Q253 I277 V279	R216-Q253 CarbonylContact C-O 3.52Å; R216-Q253 WeakPolarHBondContact CA-O 3.2Å; R216-Q253 WeakPolarHBondContact CG-O 3.49Å; R216-I277 HydrophobicContact CB-CB 4.38Å; R216-I277 PolarHBondContact N-O 3.02Å; R216-I277 PolarHBondContact O-N 3.39Å; R216-V279 HydrophobicContact CB-CG2 3.87Å
217	I	96.8	Very high	96.5	Very high	22 Å²	22	46.9 Å²	46.9	11%	0.113	29%	0.286	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.8	117.9	-176.2	-54.2	176.8	0	0	0	108.1	A221 L223 Q253 K255 L276	I217-A221 HydrophobicContact CG2-CB 3.68Å; I217-L223 HydrophobicContact CD1-CD2 3.94Å; I217-Q253 PolarHBondContact N-O 3.38Å; I217-K255 HydrophobicContact CD1-CB 4.03Å; I217-K255 HydrophobicContact CD1-CD 3.44Å; I217-K255 VanDerWaalsContact CD1-CD 3.44Å; I217-K255 HydrophobicContact CD1-CG 3.5Å; I217-L276 HydrophobicContact CB-CD2 4.34Å; I217-L276 HydrophobicContact CG1-CD2 3.99Å; I217-L276 HydrophobicContact CG2-CD2 4.09Å
218	Q	96.5	Very high	96.6	Very high	80 Å²	80	45.1 Å²	45.1	37%	0.374	28%	0.277	S	S	.	.	P	Polyproline II helix	trans	-78	160.2	177.1	-62.9	-179.7	-74.7	0	0	111.3	G220 A221 G275 I277	Q218-G220 PolarHBondContact O-N 3.49Å; Q218-A221 WeakPolarHBondContact O-CB 3.45Å; Q218-A221 PolarHBondContact O-N 2.89Å; Q218-A221 VanDerWaalsContact O-N 3.13Å; Q218-G275 VanDerWaalsContact CB-O 3.31Å; Q218-G275 WeakPolarHBondContact CB-O 3.4Å; Q218-G275 WeakPolarHBondContact CG-O 3.23Å; Q218-G275 PolarHBondContact N-O 3.26Å; Q218-I277 HydrophobicContact CG-CD1 3.9Å; Q218-I277 HydrophobicContact CG-CG1 4.48Å
219	A	93.6	Very high	96.9	Very high	98 Å²	98	45 Å²	45	81%	0.81	28%	0.276	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.1	131.2	168.9	0	0	0	0	0	109.6	A221	A219-A221 VanDerWaalsContact C-N 3.3Å
220	G	92.8	Very high	97	Very high	89 Å²	89	40.4 Å²	40.4	92%	0.918	25%	0.246	S	C	*	.	T	Hydrogen-bonded Turn	trans	80.3	2.8	-176.7	0	0	0	0	0	115.2	Q218	Q218-G220 PolarHBondContact O-N 3.49Å
221	A	95.8	Very high	97	Very high	26 Å²	26	42.7 Å²	42.7	22%	0.215	25%	0.253	C	S	.	.			trans	-63.3	144.3	173.8	0	0	0	0	0	111.7	I217 Q218 A219 F274 G275 L276	I217-A221 HydrophobicContact CG2-CB 3.68Å; Q218-A221 WeakPolarHBondContact O-CB 3.45Å; Q218-A221 PolarHBondContact O-N 2.89Å; Q218-A221 VanDerWaalsContact O-N 3.13Å; A219-A221 VanDerWaalsContact C-N 3.3Å; A221-F274 WeakPolarHBondContact CA-O 3.41Å; A221-F274 VanDerWaalsContact CB-O 3.25Å; A221-F274 WeakPolarHBondContact CB-O 3.23Å; A221-G275 WeakPolarHBondContact CB-O 3.36Å; A221-L276 HydrophobicContact CB-CD2 4.02Å
222	D	94.7	Very high	97	Very high	88 Å²	88	45.7 Å²	45.7	47%	0.471	27%	0.268	S	S	.	.			trans	-108.1	85.6	174.4	-167.1	-20.7	0	0	0	109.8	E224 A225 A226 F274	D222-E224 VanDerWaalsContact C-N 3.33Å; D222-E224 PolarHBondContact O-N 3.4Å; D222-E224 PolarHBondContact OD1-N 3.43Å; D222-A225 HydrophobicContact CB-CB 3.95Å; D222-A225 WeakPolarHBondContact OD1-CB 3.45Å; D222-A225 PolarHBondContact OD1-N 2.94Å; D222-A225 WeakPolarHBondContact OD2-CB 3.27Å; D222-A226 WeakPolarHBondContact O-CB 3.39Å; D222-A226 PolarHBondContact O-N 3.41Å; D222-F274 PolarHBondContact N-O 3.21Å; D222-F274 VanDerWaalsContact N-O 3.12Å
223	L	95.4	Very high	97.1	Very high	20 Å²	20	49.8 Å²	49.8	11%	0.105	28%	0.283	C	S	.	.	H	α-helix	trans	-63.2	-39.8	-177.4	179.1	61.4	0	0	0	112.2	I217 A226 M227 V246 K255 I257 L276	I217-L223 HydrophobicContact CD1-CD2 3.94Å; L223-A226 PolarHBondContact O-N 3.38Å; L223-M227 HydrophobicContact CD1-CG 4.22Å; L223-M227 HydrophobicContact CD1-SD 4.2Å; L223-M227 HydrophobicContact CG-CE 3.95Å; L223-M227 HydrophobicContact CG-SD 4.26Å; L223-M227 VanDerWaalsContact O-CG 3.32Å; L223-M227 WeakPolarHBondContact O-CG 3.48Å; L223-M227 PolarHBondContact O-N 3.26Å; L223-V246 HydrophobicContact CD2-CG2 3.69Å; L223-K255 HydrophobicContact CD2-CD 3.73Å; L223-I257 HydrophobicContact CD1-CD1 3.93Å; L223-L276 HydrophobicContact CB-CD2 4.45Å; L223-L276 HydrophobicContact CD1-CD1 3.72Å; L223-L276 HydrophobicContact CD1-CD2 3.95Å
224	E	96.6	Very high	97.1	Very high	117 Å²	117	49.4 Å²	49.4	55%	0.547	28%	0.281	S	S	.	.	H	α-helix	trans	-69.4	-43.3	-178.8	-68.4	-55.4	140.8	0	0	111.1	D222 A226 M227 E228	D222-E224 VanDerWaalsContact C-N 3.33Å; D222-E224 PolarHBondContact O-N 3.4Å; D222-E224 PolarHBondContact OD1-N 3.43Å; E224-A226 VanDerWaalsContact C-N 3.32Å; E224-A226 PolarHBondContact O-N 3.15Å; E224-M227 VanDerWaalsContact CD-CE 3.44Å; E224-M227 PolarHBondContact O-N 2.9Å; E224-M227 WeakPolarHBondContact OE1-CE 3.43Å; E224-M227 WeakPolarHBondContact OE2-CE 3.3Å; E224-E228 WeakPolarHBondContact O-CB 3.31Å; E224-E228 PolarHBondContact O-N 3.38Å
225	A	97.7	Very high	97.1	Very high	34 Å²	34	54.1 Å²	54.1	28%	0.281	30%	0.302	S	S	.	.	H	α-helix	trans	-62.3	-39.5	174.7	0	0	0	0	0	112.2	D222 E228 A229 F274	D222-A225 HydrophobicContact CB-CB 3.95Å; D222-A225 WeakPolarHBondContact OD1-CB 3.45Å; D222-A225 PolarHBondContact OD1-N 2.94Å; D222-A225 WeakPolarHBondContact OD2-CB 3.27Å; A225-E228 PolarHBondContact O-N 2.96Å; A225-A229 WeakPolarHBondContact O-CB 3.41Å; A225-A229 PolarHBondContact O-N 3.27Å; A225-F274 HydrophobicContact CB-CD1 4.15Å; A225-F274 HydrophobicContact CB-CE1 4.18Å
226	A	97.9	Very high	97.1	Very high	0 Å²	0	62.2 Å²	62.2	0%	0	34%	0.337	C	S	.	.	H	α-helix	trans	-63.4	-45.5	176.6	0	0	0	0	0	112.1	D222 L223 E224 A229 A230 L267 F274 L276	D222-A226 WeakPolarHBondContact O-CB 3.39Å; D222-A226 PolarHBondContact O-N 3.41Å; L223-A226 PolarHBondContact O-N 3.38Å; E224-A226 VanDerWaalsContact C-N 3.32Å; E224-A226 PolarHBondContact O-N 3.15Å; A226-A229 PolarHBondContact O-N 3.47Å; A226-A230 WeakPolarHBondContact O-CB 3.26Å; A226-A230 PolarHBondContact O-N 3.47Å; A226-L267 HydrophobicContact CB-CD2 3.84Å; A226-F274 HydrophobicContact CB-CB 3.62Å; A226-F274 HydrophobicContact CB-CD1 3.89Å; A226-F274 HydrophobicContact CB-CD2 3.87Å; A226-F274 HydrophobicContact CB-CG 3.52Å; A226-L276 HydrophobicContact CB-CD1 3.31Å; A226-L276 HydrophobicContact CB-CG 4.34Å
227	M	98.2	Very high	97.1	Very high	3 Å²	3	60.3 Å²	60.3	2%	0.015	34%	0.335	C	S	.	.	H	α-helix	trans	-67.3	-37.2	178.7	-69	-174.1	-53.9	0	0	111.6	L223 E224 A230 R231 Q245 V246 I257	L223-M227 HydrophobicContact CD1-CG 4.22Å; L223-M227 HydrophobicContact CD1-SD 4.2Å; L223-M227 HydrophobicContact CG-CE 3.95Å; L223-M227 HydrophobicContact CG-SD 4.26Å; L223-M227 VanDerWaalsContact O-CG 3.32Å; L223-M227 WeakPolarHBondContact O-CG 3.48Å; L223-M227 PolarHBondContact O-N 3.26Å; E224-M227 VanDerWaalsContact CD-CE 3.44Å; E224-M227 PolarHBondContact O-N 2.9Å; E224-M227 WeakPolarHBondContact OE1-CE 3.43Å; E224-M227 WeakPolarHBondContact OE2-CE 3.3Å; M227-A230 WeakPolarHBondContact O-CB 3.23Å; M227-A230 PolarHBondContact O-N 3.09Å; M227-R231 WeakPolarHBondContact O-CG 3.46Å; M227-R231 PolarHBondContact O-N 3.32Å; M227-Q245 VanDerWaalsContact SD-CA 3.5Å; M227-V246 HydrophobicContact CE-CG2 4.31Å; M227-V246 HydrophobicContact SD-CG2 4.21Å; M227-I257 HydrophobicContact CG-CG2 4.49Å; M227-I257 HydrophobicContact SD-CD1 4.19Å; M227-I257 HydrophobicContact SD-CG2 4.27Å
228	E	98.5	Very high	97.1	Very high	86 Å²	86	62.5 Å²	62.5	40%	0.402	36%	0.363	S	S	.	.	H	α-helix	trans	-63.9	-47.8	173.2	-179	57.3	-162.1	0	0	111.9	E224 A225 A230 R231 I232	E224-E228 WeakPolarHBondContact O-CB 3.31Å; E224-E228 PolarHBondContact O-N 3.38Å; A225-E228 PolarHBondContact O-N 2.96Å; E228-A230 VanDerWaalsContact C-N 3.25Å; E228-A230 PolarHBondContact O-N 3.34Å; E228-R231 PolarHBondContact O-N 3.09Å; E228-R231 VanDerWaalsContact O-N 3.12Å; E228-R231 IonicContact OE2-CZ 2.83Å; E228-R231 VanDerWaalsContact OE2-CZ 3.24Å; E228-R231 IonicContact OE2-NE 3.31Å; E228-R231 PolarHBondContact OE2-NE 3.29Å; E228-R231 IonicContact OE2-NH2 3.29Å; E228-R231 PolarHBondContact OE2-NH2 2.95Å; E228-I232 HydrophobicContact CG-CD1 4Å; E228-I232 WeakPolarHBondContact O-CG1 3.27Å; E228-I232 PolarHBondContact O-N 3.37Å; E228-I232 WeakPolarHBondContact OE1-CD1 3.41Å
229	A	98.4	Very high	97.2	Very high	24 Å²	24	59.6 Å²	59.6	20%	0.198	35%	0.35	C	S	.	.	H	α-helix	trans	-58.9	-39.1	175.4	0	0	0	0	0	111.8	A225 A226 I232 W233 F266 F274	A225-A229 WeakPolarHBondContact O-CB 3.41Å; A225-A229 PolarHBondContact O-N 3.27Å; A226-A229 PolarHBondContact O-N 3.47Å; A229-I232 PolarHBondContact O-N 3.45Å; A229-W233 WeakPolarHBondContact O-CB 3.46Å; A229-W233 PolarHBondContact O-N 2.98Å; A229-F266 HydrophobicContact CB-CE1 3.66Å; A229-F266 HydrophobicContact CB-CZ 3.64Å; A229-F274 HydrophobicContact CB-CE1 4.34Å; A229-F274 HydrophobicContact CB-CE2 4.39Å; A229-F274 HydrophobicContact CB-CZ 3.71Å
230	A	98.6	Very high	97.3	Very high	0 Å²	0	59.7 Å²	59.7	0%	0	35%	0.345	C	S	.	.	H	α-helix	trans	-63.9	-40.6	175.5	0	0	0	0	0	112.9	A226 M227 E228 A234 C244 A263 F266 L267	A226-A230 WeakPolarHBondContact O-CB 3.26Å; A226-A230 PolarHBondContact O-N 3.47Å; M227-A230 WeakPolarHBondContact O-CB 3.23Å; M227-A230 PolarHBondContact O-N 3.09Å; E228-A230 VanDerWaalsContact C-N 3.25Å; E228-A230 PolarHBondContact O-N 3.34Å; A230-A234 WeakPolarHBondContact O-CB 3.43Å; A230-A234 PolarHBondContact O-N 3.35Å; A230-C244 HydrophobicContact CB-CB 4.4Å; A230-A263 HydrophobicContact CB-CB 4.03Å; A230-F266 VanDerWaalsContact CA-CD1 3.43Å; A230-F266 HydrophobicContact CB-CB 4.29Å; A230-F266 HydrophobicContact CB-CD1 3.59Å; A230-F266 HydrophobicContact CB-CE1 4.32Å; A230-F266 HydrophobicContact CB-CG 4.23Å; A230-L267 HydrophobicContact CB-CD2 4.03Å; A230-L267 HydrophobicContact CB-CG 3.89Å
231	R	98.7	Very high	97.4	Very high	60 Å²	60	63.4 Å²	63.4	23%	0.226	34%	0.339	C	S	.	.	H	α-helix	trans	-64.2	-52	174.7	-72.3	-175	-65.9	-96.5	5.9	110.9	M227 E228 W233 A234 E235 P242 C244	M227-R231 WeakPolarHBondContact O-CG 3.46Å; M227-R231 PolarHBondContact O-N 3.32Å; E228-R231 PolarHBondContact O-N 3.09Å; E228-R231 VanDerWaalsContact O-N 3.12Å; E228-R231 IonicContact OE2-CZ 2.83Å; E228-R231 VanDerWaalsContact OE2-CZ 3.24Å; E228-R231 IonicContact OE2-NE 3.31Å; E228-R231 PolarHBondContact OE2-NE 3.29Å; E228-R231 IonicContact OE2-NH2 3.29Å; E228-R231 PolarHBondContact OE2-NH2 2.95Å; R231-W233 VanDerWaalsContact C-N 3.26Å; R231-W233 PolarHBondContact O-N 2.9Å; R231-A234 PolarHBondContact O-N 3.02Å; R231-A234 VanDerWaalsContact O-N 3.09Å; R231-E235 PolarHBondContact O-N 3.47Å; R231-P242 HydrophobicContact CB-CB 4.46Å; R231-P242 HydrophobicContact CB-CG 4.04Å; R231-P242 VanDerWaalsContact CD-O 3.32Å; R231-P242 WeakPolarHBondContact CD-O 3.1Å; R231-P242 VanDerWaalsContact CG-O 3.3Å; R231-P242 WeakPolarHBondContact CG-O 3.43Å; R231-P242 WeakPolarHBondContact O-CG 3.25Å; R231-C244 HydrophobicContact CG-CB 3.76Å; R231-C244 PolarHBondContact NH1-O 3.43Å
232	I	98.5	Very high	97.5	Very high	63 Å²	63	62.9 Å²	62.9	32%	0.323	33%	0.333	S	S	.	.	H	α-helix	trans	-56.4	-43	177.7	-66.5	168.2	0	0	0	110.8	E228 A229 E235 K236	E228-I232 HydrophobicContact CG-CD1 4Å; E228-I232 WeakPolarHBondContact O-CG1 3.27Å; E228-I232 PolarHBondContact O-N 3.37Å; E228-I232 WeakPolarHBondContact OE1-CD1 3.41Å; A229-I232 PolarHBondContact O-N 3.45Å; I232-E235 PolarHBondContact O-N 2.62Å; I232-K236 HydrophobicContact CG2-CD 4.05Å; I232-K236 WeakPolarHBondContact O-CB 3.37Å; I232-K236 WeakPolarHBondContact O-CG 3.35Å; I232-K236 PolarHBondContact O-N 3.03Å
233	W	98.4	Very high	97.7	Very high	97 Å²	97	59.8 Å²	59.8	37%	0.367	32%	0.317	S	S	.	.	H	α-helix	trans	-64.6	-44.5	177.7	-172.1	91	0	0	0	111.7	A229 R231 E235 K236 N237 K262 F266	A229-W233 WeakPolarHBondContact O-CB 3.46Å; A229-W233 PolarHBondContact O-N 2.98Å; R231-W233 VanDerWaalsContact C-N 3.26Å; R231-W233 PolarHBondContact O-N 2.9Å; W233-E235 PolarHBondContact O-N 2.86Å; W233-K236 PolarHBondContact O-N 2.98Å; W233-N237 VanDerWaalsContact CE2-ND2 3.28Å; W233-N237 WeakPolarHBondContact O-CB 3.16Å; W233-N237 PolarHBondContact O-N 2.96Å; W233-N237 VanDerWaalsContact O-N 3.08Å; W233-N237 PolarHBondContact O-ND2 2.84Å; W233-K262 HydrophobicContact CE3-CB 4.23Å; W233-K262 HydrophobicContact CZ3-CB 3.7Å; W233-K262 HydrophobicContact CZ3-CG 4.19Å; W233-K262 WeakPolarHBondContact CZ3-O 3.23Å; W233-F266 HydrophobicContact CB-CB 4.41Å; W233-F266 HydrophobicContact CB-CD2 3.62Å; W233-F266 HydrophobicContact CB-CE2 4.14Å; W233-F266 HydrophobicContact CB-CG 4.12Å; W233-F266 AromaticContact CD1-CD2 3.76Å; W233-F266 HydrophobicContact CD2-CB 4.19Å; W233-F266 HydrophobicContact CD2-CD2 4.08Å; W233-F266 HydrophobicContact CE3-CB 4.04Å; W233-F266 HydrophobicContact CG-CB 4.35Å; W233-F266 AromaticContact CG-CD2 3.52Å; W233-F266 HydrophobicContact CG-CD2 3.52Å; W233-F266 HydrophobicContact CG-CE2 4.23Å; W233-F266 HydrophobicContact CG-CG 4.26Å
234	A	98.5	Very high	97.9	Very high	0 Å²	0	58.9 Å²	58.9	0%	0	31%	0.313	C	S	.	.	H	α-helix	trans	-62.7	-41.2	177.2	0	0	0	0	0	112.4	A230 R231 N237 G238 V239 P242 K262 A263	A230-A234 WeakPolarHBondContact O-CB 3.43Å; A230-A234 PolarHBondContact O-N 3.35Å; R231-A234 PolarHBondContact O-N 3.02Å; R231-A234 VanDerWaalsContact O-N 3.09Å; A234-N237 CarbonylContact O-C 3.51Å; A234-N237 PolarHBondContact O-N 3.27Å; A234-N237 VanDerWaalsContact O-N 3.17Å; A234-G238 PolarHBondContact O-N 3.34Å; A234-V239 HydrophobicContact CB-CB 4.22Å; A234-V239 HydrophobicContact CB-CG2 4.06Å; A234-V239 WeakPolarHBondContact O-CB 3.16Å; A234-V239 WeakPolarHBondContact O-CG2 3.14Å; A234-V239 PolarHBondContact O-N 2.89Å; A234-P242 HydrophobicContact CB-CB 3.71Å; A234-P242 HydrophobicContact CB-CG 4.4Å; A234-K262 HydrophobicContact CB-CB 3.94Å; A234-A263 HydrophobicContact CB-CB 4.06Å
235	E	98.3	Very high	97.9	Very high	120 Å²	120	55.8 Å²	55.8	56%	0.561	30%	0.298	S	S	*	.	H	α-helix	trans	-60.4	-52	175.6	-172	173	-153.3	0	0	111.5	R231 I232 W233 N237 G238 V239 P242	R231-E235 PolarHBondContact O-N 3.47Å; I232-E235 PolarHBondContact O-N 2.62Å; W233-E235 PolarHBondContact O-N 2.86Å; E235-N237 PolarHBondContact O-N 2.85Å; E235-G238 PolarHBondContact O-N 3.29Å; E235-V239 WeakPolarHBondContact CA-O 3Å; E235-P242 HydrophobicContact CB-CG 3.94Å
236	K	98	Very high	98	Very high	170 Å²	170	55 Å²	55	74%	0.739	29%	0.29	S	S	*	.	H	α-helix	trans	-58.6	-23.2	175.9	-73.2	176.6	179.9	177.4	0	113.1	I232 W233	I232-K236 HydrophobicContact CG2-CD 4.05Å; I232-K236 WeakPolarHBondContact O-CB 3.37Å; I232-K236 WeakPolarHBondContact O-CG 3.35Å; I232-K236 PolarHBondContact O-N 3.03Å; W233-K236 PolarHBondContact O-N 2.98Å
237	N	97.8	Very high	98	Very high	70 Å²	70	55 Å²	55	37%	0.374	29%	0.29	S	S	.	.	T	Hydrogen-bonded Turn	trans	-100.2	19.9	176.4	-73.2	-88.8	0	0	0	112.7	W233 A234 E235 K262	W233-N237 VanDerWaalsContact CE2-ND2 3.28Å; W233-N237 WeakPolarHBondContact O-CB 3.16Å; W233-N237 PolarHBondContact O-N 2.96Å; W233-N237 VanDerWaalsContact O-N 3.08Å; W233-N237 PolarHBondContact O-ND2 2.84Å; A234-N237 CarbonylContact O-C 3.51Å; A234-N237 PolarHBondContact O-N 3.27Å; A234-N237 VanDerWaalsContact O-N 3.17Å; E235-N237 PolarHBondContact O-N 2.85Å; N237-K262 HydrophobicContact CB-CD 3.98Å; N237-K262 PolarHBondContact O-NZ 2.69Å
238	G	97.3	Very high	98	Very high	67 Å²	67	54.8 Å²	54.8	69%	0.691	29%	0.289	S	S	*	.	T	Hydrogen-bonded Turn	trans	88.1	24.2	167.5	0	0	0	0	0	115.9	A234 E235	A234-G238 PolarHBondContact O-N 3.34Å; E235-G238 PolarHBondContact O-N 3.29Å
239	V	97.6	Very high	98	Very high	19 Å²	19	50.8 Å²	50.8	12%	0.115	27%	0.27	C	S	.	.			trans	-94.2	116.6	165.1	-176.3	0	0	0	0	108.6	A234 E235 P242 H260 K262	A234-V239 HydrophobicContact CB-CB 4.22Å; A234-V239 HydrophobicContact CB-CG2 4.06Å; A234-V239 WeakPolarHBondContact O-CB 3.16Å; A234-V239 WeakPolarHBondContact O-CG2 3.14Å; A234-V239 PolarHBondContact O-N 2.89Å; E235-V239 WeakPolarHBondContact CA-O 3Å; V239-P242 HydrophobicContact CB-CB 4.23Å; V239-P242 HydrophobicContact CG1-CB 3.92Å; V239-H260 HydrophobicContact CG1-CB 4.18Å; V239-K262 HydrophobicContact CG2-CB 4.07Å; V239-K262 HydrophobicContact CG2-CD 3.75Å; V239-K262 HydrophobicContact CG2-CG 4.28Å
240	S	95.5	Very high	97.9	Very high	101 Å²	101	50.2 Å²	50.2	71%	0.706	26%	0.264	S	S	*	.	S	Bend	trans	-70.5	131.1	168.8	-170.7	0	0	0	0	109.3
241	E	96	Very high	97.8	Very high	166 Å²	166	53.1 Å²	53.1	78%	0.776	28%	0.275	S	S	*	.	S	Bend	trans	52	61.2	177	-59.1	179.8	101	0	0	113.8	V243	E241-V243 PolarHBondContact O-N 2.81Å
242	P	98.1	Very high	97.5	Very high	16 Å²	16	53.9 Å²	53.9	10%	0.104	29%	0.29	C	S	.	.			trans	-67.3	122.8	-173.7	27.9	-34.5	0	0	0	112.7	R231 A234 E235 V239	R231-P242 HydrophobicContact CB-CB 4.46Å; R231-P242 HydrophobicContact CB-CG 4.04Å; R231-P242 VanDerWaalsContact CD-O 3.32Å; R231-P242 WeakPolarHBondContact CD-O 3.1Å; R231-P242 VanDerWaalsContact CG-O 3.3Å; R231-P242 WeakPolarHBondContact CG-O 3.43Å; R231-P242 WeakPolarHBondContact O-CG 3.25Å; A234-P242 HydrophobicContact CB-CB 3.71Å; A234-P242 HydrophobicContact CB-CG 4.4Å; E235-P242 HydrophobicContact CB-CG 3.94Å; V239-P242 HydrophobicContact CB-CB 4.23Å; V239-P242 HydrophobicContact CG1-CB 3.92Å
243	V	98.5	Very high	97.3	Very high	22 Å²	22	56 Å²	56	13%	0.133	30%	0.298	C	S	.	.			trans	-84.7	132.7	166	179.5	0	0	0	0	111.5	E241 Q245 G259 H260 P291 L292	E241-V243 PolarHBondContact O-N 2.81Å; V243-Q245 HydrophobicContact CG1-CG 4.3Å; V243-G259 CarbonylContact O-C 3.32Å; V243-G259 WeakPolarHBondContact O-CA 3.23Å; V243-H260 PolarHBondContact N-CE1 3.21Å; V243-H260 PolarHBondContact N-ND1 3.35Å; V243-H260 PolarHBondContact O-N 3.02Å; V243-P291 HydrophobicContact CG2-CB 4.16Å; V243-L292 HydrophobicContact CB-CD1 4.08Å; V243-L292 HydrophobicContact CB-CD2 4.49Å; V243-L292 HydrophobicContact CB-CG 3.92Å; V243-L292 HydrophobicContact CG1-CD1 4.4Å; V243-L292 HydrophobicContact CG1-CG 4.25Å; V243-L292 HydrophobicContact CG2-CD2 4.15Å; V243-L292 HydrophobicContact CG2-CG 3.92Å
244	C	98.5	Very high	97.2	Very high	2 Å²	2	51.5 Å²	51.5	1%	0.014	28%	0.282	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-153.9	111.6	165.1	-168.4	0	0	0	0	107.7	A230 R231 G258 A263 L267	A230-C244 HydrophobicContact CB-CB 4.4Å; R231-C244 HydrophobicContact CG-CB 3.76Å; R231-C244 PolarHBondContact NH1-O 3.43Å; C244-G258 WeakPolarHBondContact CA-O 3.17Å; C244-A263 HydrophobicContact CB-CB 3.75Å; C244-L267 VanDerWaalsContact SG-CD1 3.53Å
245	Q	97.9	Very high	97.2	Very high	51 Å²	51	53.2 Å²	53.2	24%	0.238	29%	0.289	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-154.1	166	-174.8	67.4	171.1	50.6	0	0	112.7	M227 V243 A247 I257 G258 H289 T290	M227-Q245 VanDerWaalsContact SD-CA 3.5Å; V243-Q245 HydrophobicContact CG1-CG 4.3Å; Q245-A247 PolarHBondContact O-N 3.09Å; Q245-A247 VanDerWaalsContact O-N 3.16Å; Q245-I257 CarbonylContact O-C 3.59Å; Q245-I257 WeakPolarHBondContact O-CA 3.46Å; Q245-I257 WeakPolarHBondContact O-CG2 3.35Å; Q245-G258 PolarHBondContact N-O 3.27Å; Q245-G258 PolarHBondContact O-N 2.72Å; Q245-H289 PolarHBondContact NE2-O 3.04Å; Q245-T290 HydrophobicContact CG-CG2 3.66Å
246	V	98.4	Very high	97.2	Very high	17 Å²	17	47.6 Å²	47.6	10%	0.103	26%	0.264	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-63.4	116.9	168.3	-175	0	0	0	0	109.6	L223 M227 K255 I257 E342	L223-V246 HydrophobicContact CD2-CG2 3.69Å; M227-V246 HydrophobicContact CE-CG2 4.31Å; M227-V246 HydrophobicContact SD-CG2 4.21Å; V246-K255 HydrophobicContact CG1-CB 4.29Å; V246-K255 HydrophobicContact CG1-CD 3.92Å; V246-K255 HydrophobicContact CG1-CG 4.47Å; V246-K255 HydrophobicContact CG2-CD 3.93Å; V246-I257 HydrophobicContact CB-CD1 4.5Å; V246-I257 HydrophobicContact CG2-CD1 3.92Å; V246-E342 HydrophobicContact CG1-CG 3.92Å; V246-E342 WeakPolarHBondContact CG1-OE1 3.42Å
247	A	98.5	Very high	97.2	Very high	0 Å²	0	39.5 Å²	39.5	0%	0	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93	-30.3	174.2	0	0	0	0	0	111.5	M212 Q245 V256 F288 H289 T290 E342 V343	M212-A247 HydrophobicContact CE-CB 3.54Å; Q245-A247 PolarHBondContact O-N 3.09Å; Q245-A247 VanDerWaalsContact O-N 3.16Å; A247-V256 HydrophobicContact CB-CG1 4.47Å; A247-V256 PolarHBondContact N-O 2.9Å; A247-F288 WeakPolarHBondContact CB-O 3.21Å; A247-H289 HydrophobicContact CB-CB 4.08Å; A247-H289 WeakPolarHBondContact O-CB 3.12Å; A247-T290 HydrophobicContact CB-CG2 4.05Å; A247-E342 WeakPolarHBondContact O-CA 3.3Å; A247-V343 PolarHBondContact O-N 3.37Å
248	S	98.4	Very high	97.2	Very high	0 Å²	0	36.2 Å²	36.2	0%	0	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-153.2	137.2	171.7	-174.7	0	0	0	0	112.6	Y171 L250 K255 V256 V343	Y171-S248 VanDerWaalsContact OH-CB 3.3Å; Y171-S248 WeakPolarHBondContact OH-CB 3.23Å; Y171-S248 PolarHBondContact OH-OG 2.79Å; S248-L250 WeakPolarHBondContact OG-CD2 3.25Å; S248-K255 CarbonylContact O-C 3.54Å; S248-K255 VanDerWaalsContact O-CA 3.32Å; S248-K255 WeakPolarHBondContact O-CA 3.41Å; S248-V256 PolarHBondContact N-O 3.25Å; S248-V256 VanDerWaalsContact N-O 3.15Å; S248-V256 PolarHBondContact O-N 3Å; S248-V343 VanDerWaalsContact CA-O 3.31Å; S248-V343 WeakPolarHBondContact CA-O 3.46Å; S248-V343 PolarHBondContact OG-O 2.82Å
249	S	98.1	Very high	97.3	Very high	1 Å²	1	33 Å²	33	1%	0.007	18%	0.178	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.8	109.9	166.1	-75.1	0	0	0	0	109.5	K255 E342 V343 W345 E346	S249-K255 PolarHBondContact OG-NZ 3.5Å; S249-E342 WeakPolarHBondContact CB-OE1 3.49Å; S249-E342 PolarHBondContact N-OE1 2.9Å; S249-E342 PolarHBondContact OG-OE1 2.98Å; S249-V343 PolarHBondContact N-O 2.85Å; S249-W345 WeakPolarHBondContact O-CB 2.99Å; S249-W345 PolarHBondContact O-N 3.48Å; S249-E346 PolarHBondContact O-N 3.07Å
250	L	97.4	Very high	97.3	Very high	12 Å²	12	33 Å²	33	6%	0.063	18%	0.176	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.6	-50.1	-174.7	-54	-178.7	0	0	0	111.9	Y171 S248 C254 V256 M377	Y171-L250 HydrophobicContact CE2-CD2 3.95Å; S248-L250 WeakPolarHBondContact OG-CD2 3.25Å; L250-C254 WeakPolarHBondContact CB-O 3.34Å; L250-C254 PolarHBondContact N-O 3.11Å; L250-C254 VanDerWaalsContact N-O 3.12Å; L250-V256 HydrophobicContact CD1-CG2 3.86Å; L250-V256 HydrophobicContact CD2-CG2 4.23Å; L250-V256 HydrophobicContact CG-CG2 4.14Å; L250-M377 HydrophobicContact CB-SD 4.37Å; L250-M377 HydrophobicContact CD1-CE 4.33Å; L250-M377 HydrophobicContact CD2-CE 3.9Å; L250-M377 HydrophobicContact CD2-SD 4.01Å
251	Y	96.4	Very high	97.5	Very high	61 Å²	61	29.6 Å²	29.6	24%	0.239	15%	0.15	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-164.1	171.4	176	50.5	-92.8	0	0	0	108.8	Q253 C254 E346 M377 R380	Y251-Q253 PolarHBondContact O-N 2.86Å; Y251-C254 HydrophobicContact CD1-CB 4.11Å; Y251-C254 HydrophobicContact CD2-CB 3.63Å; Y251-C254 HydrophobicContact CE1-CB 3.68Å; Y251-C254 HydrophobicContact CE2-CB 3.15Å; Y251-C254 HydrophobicContact CG-CB 4.08Å; Y251-C254 PolarHBondContact N-O 2.86Å; Y251-C254 CarbonylContact O-C 3.58Å; Y251-C254 PolarHBondContact O-N 2.9Å; Y251-E346 VanDerWaalsContact C-CD 3.46Å; Y251-M377 HydrophobicContact CD1-CG 4.49Å; Y251-R380 HydrophobicContact CD1-CB 3.85Å; Y251-R380 HydrophobicContact CD1-CG 4.14Å; Y251-R380 HydrophobicContact CD2-CB 3.82Å; Y251-R380 HydrophobicContact CD2-CG 4.23Å; Y251-R380 HydrophobicContact CE1-CB 4.29Å; Y251-R380 HydrophobicContact CE1-CG 4.06Å; Y251-R380 HydrophobicContact CE2-CB 4.24Å; Y251-R380 HydrophobicContact CE2-CG 4.12Å; Y251-R380 HydrophobicContact CG-CB 3.61Å; Y251-R380 HydrophobicContact CG-CG 4.23Å
252	S	92	Very high	97.6	Very high	77 Å²	77	25.1 Å²	25.1	54%	0.538	13%	0.128	S	C	.	.	T	Hydrogen-bonded Turn	trans	-55	-28.3	-159	-44.4	0	0	0	0	116.7	E346	S252-E346 WeakPolarHBondContact CA-OE1 3.4Å; S252-E346 VanDerWaalsContact CB-OE1 3.29Å; S252-E346 WeakPolarHBondContact CB-OE1 3.42Å; S252-E346 PolarHBondContact N-OE1 3.44Å; S252-E346 PolarHBondContact OG-OE1 3.08Å
253	Q	93.1	Very high	97.6	Very high	106 Å²	106	24.3 Å²	24.3	50%	0.495	12%	0.123	S	C	.	.	T	Hydrogen-bonded Turn	trans	-113.7	12.5	179.8	-65.7	-178	-27.7	0	0	113.1	R216 I217 Y251	R216-Q253 CarbonylContact C-O 3.52Å; R216-Q253 WeakPolarHBondContact CA-O 3.2Å; R216-Q253 WeakPolarHBondContact CG-O 3.49Å; I217-Q253 PolarHBondContact N-O 3.38Å; Y251-Q253 PolarHBondContact O-N 2.86Å
254	C	97.2	Very high	97.6	Very high	4 Å²	4	23.4 Å²	23.4	3%	0.027	12%	0.117	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.4	121.4	-176.3	-167	0	0	0	0	111.9	T214 M215 L250 Y251	T214-C254 VanDerWaalsContact CG2-SG 3.54Å; M215-C254 WeakPolarHBondContact O-CA 3.27Å; L250-C254 WeakPolarHBondContact CB-O 3.34Å; L250-C254 PolarHBondContact N-O 3.11Å; L250-C254 VanDerWaalsContact N-O 3.12Å; Y251-C254 HydrophobicContact CD1-CB 4.11Å; Y251-C254 HydrophobicContact CD2-CB 3.63Å; Y251-C254 HydrophobicContact CE1-CB 3.68Å; Y251-C254 HydrophobicContact CE2-CB 3.15Å; Y251-C254 HydrophobicContact CG-CB 4.08Å; Y251-C254 PolarHBondContact N-O 2.86Å; Y251-C254 CarbonylContact O-C 3.58Å; Y251-C254 PolarHBondContact O-N 2.9Å
255	K	98	Very high	97.6	Very high	35 Å²	35	29 Å²	29	15%	0.152	14%	0.138	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.2	155.3	177.8	-62	-171.6	-169.9	-67.2	0	109.7	M215 I217 L223 V246 S248 S249 I257	M215-K255 PolarHBondContact N-O 2.49Å; M215-K255 PolarHBondContact O-N 2.85Å; M215-K255 VanDerWaalsContact O-N 3.08Å; I217-K255 HydrophobicContact CD1-CB 4.03Å; I217-K255 HydrophobicContact CD1-CD 3.44Å; I217-K255 VanDerWaalsContact CD1-CD 3.44Å; I217-K255 HydrophobicContact CD1-CG 3.5Å; L223-K255 HydrophobicContact CD2-CD 3.73Å; V246-K255 HydrophobicContact CG1-CB 4.29Å; V246-K255 HydrophobicContact CG1-CD 3.92Å; V246-K255 HydrophobicContact CG1-CG 4.47Å; V246-K255 HydrophobicContact CG2-CD 3.93Å; S248-K255 CarbonylContact O-C 3.54Å; S248-K255 VanDerWaalsContact O-CA 3.32Å; S248-K255 WeakPolarHBondContact O-CA 3.41Å; S249-K255 PolarHBondContact OG-NZ 3.5Å; K255-I257 HydrophobicContact CB-CD1 4.29Å
256	V	98.3	Very high	97.6	Very high	3 Å²	3	27.8 Å²	27.8	2%	0.018	13%	0.132	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.9	123.6	166.9	-176.6	0	0	0	0	107.9	M212 A247 S248 L250 I282	M212-V256 HydrophobicContact CB-CG1 3.77Å; M212-V256 HydrophobicContact CE-CB 4.39Å; M212-V256 HydrophobicContact CE-CG1 3.46Å; M212-V256 VanDerWaalsContact CE-CG1 3.46Å; M212-V256 HydrophobicContact CG-CG1 4.42Å; A247-V256 HydrophobicContact CB-CG1 4.47Å; A247-V256 PolarHBondContact N-O 2.9Å; S248-V256 PolarHBondContact N-O 3.25Å; S248-V256 VanDerWaalsContact N-O 3.15Å; S248-V256 PolarHBondContact O-N 3Å; L250-V256 HydrophobicContact CD1-CG2 3.86Å; L250-V256 HydrophobicContact CD2-CG2 4.23Å; L250-V256 HydrophobicContact CG-CG2 4.14Å; V256-I282 HydrophobicContact CB-CD1 4.39Å; V256-I282 HydrophobicContact CG1-CD1 3.46Å; V256-I282 VanDerWaalsContact CG1-CD1 3.46Å; V256-I282 HydrophobicContact CG2-CD1 3.98Å
257	I	98.5	Very high	97.6	Very high	0 Å²	0	27 Å²	27	0%	0	13%	0.127	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.4	125.2	174.7	-49.3	-53.2	0	0	0	108.2	M212 L213 M215 L223 M227 Q245 V246 K255 L264 L267	M212-I257 CarbonylContact C-O 3.58Å; M212-I257 VanDerWaalsContact CA-O 3.3Å; M212-I257 WeakPolarHBondContact CA-O 3.4Å; L213-I257 PolarHBondContact N-O 3.2Å; L213-I257 PolarHBondContact O-N 2.98Å; M215-I257 HydrophobicContact CB-CG1 4.48Å; M215-I257 HydrophobicContact CG-CG1 4Å; M215-I257 HydrophobicContact SD-CG1 3.83Å; L223-I257 HydrophobicContact CD1-CD1 3.93Å; M227-I257 HydrophobicContact CG-CG2 4.49Å; M227-I257 HydrophobicContact SD-CD1 4.19Å; M227-I257 HydrophobicContact SD-CG2 4.27Å; Q245-I257 CarbonylContact O-C 3.59Å; Q245-I257 WeakPolarHBondContact O-CA 3.46Å; Q245-I257 WeakPolarHBondContact O-CG2 3.35Å; V246-I257 HydrophobicContact CB-CD1 4.5Å; V246-I257 HydrophobicContact CG2-CD1 3.92Å; K255-I257 HydrophobicContact CB-CD1 4.29Å; I257-L264 HydrophobicContact CB-CD2 4.45Å; I257-L264 HydrophobicContact CG2-CD2 4.13Å; I257-L267 HydrophobicContact CB-CD1 4.31Å; I257-L267 HydrophobicContact CG1-CD1 4.49Å; I257-L267 HydrophobicContact CG2-CD1 3.68Å
258	G	98.6	Very high	97.5	Very high	0 Å²	0	28.9 Å²	28.9	0%	0	14%	0.143	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.8	145.3	174	0	0	0	0	0	110.6	G211 C244 Q245	G211-G258 WeakPolarHBondContact O-CA 3.23Å; C244-G258 WeakPolarHBondContact CA-O 3.17Å; Q245-G258 PolarHBondContact N-O 3.27Å; Q245-G258 PolarHBondContact O-N 2.72Å
259	G	98.5	Very high	97.5	Very high	0 Å²	0	34.7 Å²	34.7	0%	0	17%	0.174	C	C	.	.	E	Extended strand (participates in β ladder)	trans	174.1	-174	176.8	0	0	0	0	0	113.7	S210 G211 V243 A287	S210-G259 VanDerWaalsContact CA-O 3.3Å; S210-G259 WeakPolarHBondContact CA-O 3.45Å; S210-G259 VanDerWaalsContact CB-O 3.27Å; S210-G259 WeakPolarHBondContact CB-O 3.41Å; G211-G259 PolarHBondContact N-O 3.36Å; G211-G259 PolarHBondContact O-N 2.84Å; V243-G259 CarbonylContact O-C 3.32Å; V243-G259 WeakPolarHBondContact O-CA 3.23Å; G259-A287 VanDerWaalsContact N-CB 3.31Å
260	H	98.6	Very high	97.5	Very high	18 Å²	18	39.4 Å²	39.4	8%	0.083	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-62.4	147.3	171.7	-69.9	94.9	0	0	0	111	V239 V243 K262 A263 L264	V239-H260 HydrophobicContact CG1-CB 4.18Å; V243-H260 PolarHBondContact N-CE1 3.21Å; V243-H260 PolarHBondContact N-ND1 3.35Å; V243-H260 PolarHBondContact O-N 3.02Å; H260-K262 PolarHBondContact O-N 2.99Å; H260-K262 VanDerWaalsContact O-N 3.13Å; H260-A263 PolarHBondContact O-N 3.02Å; H260-L264 PolarHBondContact O-N 2.93Å
261	D	98	Very high	97.4	Very high	30 Å²	30	38.8 Å²	38.8	16%	0.16	19%	0.191	C	C	.	.	H	α-helix	trans	-53.7	-39.4	-177.5	-86.7	-2.3	0	0	0	113.7	P209 S210 L264 R265 R281	P209-D261 HydrophobicContact CB-CB 4.47Å; P209-D261 PolarHBondContact O-N 3.48Å; P209-D261 VanDerWaalsContact O-N 3.08Å; S210-D261 VanDerWaalsContact C-OD1 3.27Å; S210-D261 WeakPolarHBondContact CA-OD1 3.39Å; D261-L264 PolarHBondContact O-N 3.18Å; D261-R265 VanDerWaalsContact O-CG 3.28Å; D261-R265 WeakPolarHBondContact O-CG 3.23Å; D261-R265 PolarHBondContact O-N 2.78Å; D261-R265 IonicContact OD2-NH2 3.46Å; D261-R265 PolarHBondContact OD2-NH2 3.11Å; D261-R281 IonicContact OD1-CZ 3.63Å; D261-R281 IonicContact OD1-NH1 3.73Å; D261-R281 IonicContact OD1-NH2 2.65Å; D261-R281 PolarHBondContact OD1-NH2 3.09Å
262	K	98.1	Very high	97.4	Very high	72 Å²	72	40.4 Å²	40.4	31%	0.313	20%	0.204	S	C	.	.	H	α-helix	trans	-64.5	-42.3	179.1	-74.4	-174.9	-177.1	166.7	0	111.8	W233 A234 N237 V239 H260 R265 F266	W233-K262 HydrophobicContact CE3-CB 4.23Å; W233-K262 HydrophobicContact CZ3-CB 3.7Å; W233-K262 HydrophobicContact CZ3-CG 4.19Å; W233-K262 WeakPolarHBondContact CZ3-O 3.23Å; A234-K262 HydrophobicContact CB-CB 3.94Å; N237-K262 HydrophobicContact CB-CD 3.98Å; N237-K262 PolarHBondContact O-NZ 2.69Å; V239-K262 HydrophobicContact CG2-CB 4.07Å; V239-K262 HydrophobicContact CG2-CD 3.75Å; V239-K262 HydrophobicContact CG2-CG 4.28Å; H260-K262 PolarHBondContact O-N 2.99Å; H260-K262 VanDerWaalsContact O-N 3.13Å; K262-R265 PolarHBondContact O-N 3.04Å; K262-F266 PolarHBondContact O-N 3.21Å; K262-F266 VanDerWaalsContact O-N 3.1Å
263	A	98.5	Very high	97.6	Very high	0 Å²	0	42.5 Å²	42.5	0%	0	21%	0.209	C	C	.	.	H	α-helix	trans	-66.2	-40.5	176.2	0	0	0	0	0	111.6	A230 A234 C244 H260 R265 F266 L267	A230-A263 HydrophobicContact CB-CB 4.03Å; A234-A263 HydrophobicContact CB-CB 4.06Å; C244-A263 HydrophobicContact CB-CB 3.75Å; H260-A263 PolarHBondContact O-N 3.02Å; A263-R265 PolarHBondContact O-N 3.08Å; A263-F266 WeakPolarHBondContact O-CB 3.22Å; A263-F266 PolarHBondContact O-N 2.97Å; A263-L267 PolarHBondContact O-N 3.18Å; A263-L267 VanDerWaalsContact O-N 3.08Å
264	L	98.4	Very high	97.9	Very high	2 Å²	2	40 Å²	40	1%	0.01	20%	0.196	C	C	.	.	H	α-helix	trans	-68.2	-34.1	177.2	-62	-179.3	0	0	0	113	G211 L213 I257 H260 D261 L267 A268	G211-L264 VanDerWaalsContact O-CD1 3.3Å; G211-L264 WeakPolarHBondContact O-CD1 3.22Å; L213-L264 HydrophobicContact CB-CD2 4.14Å; I257-L264 HydrophobicContact CB-CD2 4.45Å; I257-L264 HydrophobicContact CG2-CD2 4.13Å; H260-L264 PolarHBondContact O-N 2.93Å; D261-L264 PolarHBondContact O-N 3.18Å; L264-L267 PolarHBondContact O-N 3.03Å; L264-A268 PolarHBondContact O-N 3.34Å
265	R	97.8	Very high	97.8	Very high	119 Å²	119	40.4 Å²	40.4	45%	0.449	20%	0.202	S	C	.	.	H	α-helix	trans	-61.9	-46.1	171.8	-75.4	175.4	-166.1	115.7	8.8	110.8	D261 K262 A263 L267 A268 D269	D261-R265 VanDerWaalsContact O-CG 3.28Å; D261-R265 WeakPolarHBondContact O-CG 3.23Å; D261-R265 PolarHBondContact O-N 2.78Å; D261-R265 IonicContact OD2-NH2 3.46Å; D261-R265 PolarHBondContact OD2-NH2 3.11Å; K262-R265 PolarHBondContact O-N 3.04Å; A263-R265 PolarHBondContact O-N 3.08Å; R265-L267 VanDerWaalsContact C-N 3.31Å; R265-L267 PolarHBondContact O-N 3.37Å; R265-A268 PolarHBondContact O-N 3.25Å; R265-A268 VanDerWaalsContact O-N 3.12Å; R265-D269 VanDerWaalsContact O-CG 3.32Å; R265-D269 PolarHBondContact O-N 3.27Å
266	F	98.4	Very high	97.8	Very high	27 Å²	27	38.7 Å²	38.7	12%	0.118	19%	0.194	C	C	.	.	H	α-helix	trans	-55.2	-46.9	174	177.5	-85.4	0	0	0	111.8	A229 A230 W233 K262 A263 A268 D269 K270 F274	A229-F266 HydrophobicContact CB-CE1 3.66Å; A229-F266 HydrophobicContact CB-CZ 3.64Å; A230-F266 VanDerWaalsContact CA-CD1 3.43Å; A230-F266 HydrophobicContact CB-CB 4.29Å; A230-F266 HydrophobicContact CB-CD1 3.59Å; A230-F266 HydrophobicContact CB-CE1 4.32Å; A230-F266 HydrophobicContact CB-CG 4.23Å; W233-F266 HydrophobicContact CB-CB 4.41Å; W233-F266 HydrophobicContact CB-CD2 3.62Å; W233-F266 HydrophobicContact CB-CE2 4.14Å; W233-F266 HydrophobicContact CB-CG 4.12Å; W233-F266 AromaticContact CD1-CD2 3.76Å; W233-F266 HydrophobicContact CD2-CB 4.19Å; W233-F266 HydrophobicContact CD2-CD2 4.08Å; W233-F266 HydrophobicContact CE3-CB 4.04Å; W233-F266 HydrophobicContact CG-CB 4.35Å; W233-F266 AromaticContact CG-CD2 3.52Å; W233-F266 HydrophobicContact CG-CD2 3.52Å; W233-F266 HydrophobicContact CG-CE2 4.23Å; W233-F266 HydrophobicContact CG-CG 4.26Å; K262-F266 PolarHBondContact O-N 3.21Å; K262-F266 VanDerWaalsContact O-N 3.1Å; A263-F266 WeakPolarHBondContact O-CB 3.22Å; A263-F266 PolarHBondContact O-N 2.97Å; F266-A268 VanDerWaalsContact C-N 3.34Å; F266-A268 PolarHBondContact O-N 3.18Å; F266-D269 PolarHBondContact O-N 3.29Å; F266-K270 HydrophobicContact CD1-CB 4.39Å; F266-K270 HydrophobicContact CD2-CB 4.4Å; F266-K270 HydrophobicContact CD2-CG 4.23Å; F266-K270 HydrophobicContact CE1-CB 4.06Å; F266-K270 HydrophobicContact CE2-CB 4.06Å; F266-K270 HydrophobicContact CE2-CG 3.99Å; F266-K270 HydrophobicContact CZ-CB 3.88Å; F266-K270 HydrophobicContact CZ-CG 4.3Å; F266-K270 WeakPolarHBondContact O-CA 3.42Å; F266-K270 WeakPolarHBondContact O-CB 3.48Å; F266-K270 PolarHBondContact O-N 3.4Å; F266-F274 AromaticContact CE1-CE2 3.97Å; F266-F274 HydrophobicContact CE1-CE2 3.97Å; F266-F274 HydrophobicContact CZ-CE2 4.08Å; F266-F274 HydrophobicContact CZ-CZ 4.44Å
267	L	98.2	Very high	97.8	Very high	0 Å²	0	40.5 Å²	40.5	0%	0	20%	0.203	C	C	.	.	H	α-helix	trans	-65.7	-34.1	178	-70	-178.8	0	0	0	113.4	L213 M215 A226 A230 C244 I257 A263 L264 R265 D269 G271 L276	L213-L267 HydrophobicContact CD2-CB 4.09Å; M215-L267 HydrophobicContact CE-CB 4.04Å; M215-L267 HydrophobicContact SD-CB 4.07Å; M215-L267 HydrophobicContact SD-CD1 4Å; A226-L267 HydrophobicContact CB-CD2 3.84Å; A230-L267 HydrophobicContact CB-CD2 4.03Å; A230-L267 HydrophobicContact CB-CG 3.89Å; C244-L267 VanDerWaalsContact SG-CD1 3.53Å; I257-L267 HydrophobicContact CB-CD1 4.31Å; I257-L267 HydrophobicContact CG1-CD1 4.49Å; I257-L267 HydrophobicContact CG2-CD1 3.68Å; A263-L267 PolarHBondContact O-N 3.18Å; A263-L267 VanDerWaalsContact O-N 3.08Å; L264-L267 PolarHBondContact O-N 3.03Å; R265-L267 VanDerWaalsContact C-N 3.31Å; R265-L267 PolarHBondContact O-N 3.37Å; L267-D269 VanDerWaalsContact C-N 3.35Å; L267-G271 WeakPolarHBondContact O-CA 3.43Å; L267-G271 PolarHBondContact O-N 3.26Å; L267-L276 HydrophobicContact CD2-CD1 4.35Å
268	A	98	Very high	97.6	Very high	39 Å²	39	42.7 Å²	42.7	32%	0.322	22%	0.218	S	C	.	.	H	α-helix	trans	-65.9	-39.4	174.8	0	0	0	0	0	111.8	L213 L264 R265 F266	L213-A268 HydrophobicContact CD2-CB 4.45Å; L264-A268 PolarHBondContact O-N 3.34Å; R265-A268 PolarHBondContact O-N 3.25Å; R265-A268 VanDerWaalsContact O-N 3.12Å; F266-A268 VanDerWaalsContact C-N 3.34Å; F266-A268 PolarHBondContact O-N 3.18Å
269	D	97.6	Very high	97.5	Very high	122 Å²	122	47 Å²	47	65%	0.652	24%	0.243	S	C	*	.	H	α-helix	trans	-86.8	-34.2	-174.4	-62.7	-18.2	0	0	0	113	R265 F266 L267	R265-D269 VanDerWaalsContact O-CG 3.32Å; R265-D269 PolarHBondContact O-N 3.27Å; F266-D269 PolarHBondContact O-N 3.29Å; L267-D269 VanDerWaalsContact C-N 3.35Å
270	K	97.3	Very high	97.4	Very high	100 Å²	100	52.7 Å²	52.7	44%	0.435	27%	0.268	S	S	.	.	H	α-helix	trans	-121.4	-2.4	-170.7	-60.5	-60.9	-177.3	-177.9	0	114.2	F266 N272 D273 F274	F266-K270 HydrophobicContact CD1-CB 4.39Å; F266-K270 HydrophobicContact CD2-CB 4.4Å; F266-K270 HydrophobicContact CD2-CG 4.23Å; F266-K270 HydrophobicContact CE1-CB 4.06Å; F266-K270 HydrophobicContact CE2-CB 4.06Å; F266-K270 HydrophobicContact CE2-CG 3.99Å; F266-K270 HydrophobicContact CZ-CB 3.88Å; F266-K270 HydrophobicContact CZ-CG 4.3Å; F266-K270 WeakPolarHBondContact O-CA 3.42Å; F266-K270 WeakPolarHBondContact O-CB 3.48Å; F266-K270 PolarHBondContact O-N 3.4Å; K270-N272 PolarHBondContact O-N 3.22Å; K270-D273 WeakPolarHBondContact CD-OD2 3.29Å; K270-D273 WeakPolarHBondContact O-CB 3.42Å; K270-D273 PolarHBondContact O-N 3.36Å; K270-F274 WeakPolarHBondContact O-CD2 3.33Å
271	G	96.6	Very high	97.3	Very high	0 Å²	0	56.6 Å²	56.6	0%	0	28%	0.282	C	S	.	.	G	3₁₀ helix	trans	-56.3	-34.9	179.9	0	0	0	0	0	113.3	L267 D273 F274 G275 L276	L267-G271 WeakPolarHBondContact O-CA 3.43Å; L267-G271 PolarHBondContact O-N 3.26Å; G271-D273 PolarHBondContact O-N 2.85Å; G271-F274 CarbonylContact O-C 3.27Å; G271-F274 WeakPolarHBondContact O-CA 3.37Å; G271-F274 PolarHBondContact O-N 3.25Å; G271-G275 PolarHBondContact O-N 2.95Å; G271-L276 CarbonylContact C-O 2.9Å; G271-L276 WeakPolarHBondContact CA-O 3.21Å; G271-L276 WeakPolarHBondContact O-CA 3.39Å; G271-L276 WeakPolarHBondContact O-CB 3.42Å; G271-L276 PolarHBondContact O-N 2.85Å
272	N	96.3	Very high	97.1	Very high	95 Å²	95	57.4 Å²	57.4	51%	0.508	29%	0.286	S	S	.	.	G	3₁₀ helix	trans	-60.2	-32.4	179.4	-73.2	-21.8	0	0	0	112.5	K270 F274 G275 L276 I277	K270-N272 PolarHBondContact O-N 3.22Å; N272-F274 PolarHBondContact O-N 3.43Å; N272-F274 VanDerWaalsContact O-N 3.15Å; N272-G275 PolarHBondContact O-N 2.93Å; N272-L276 PolarHBondContact N-O 3.48Å; N272-L276 PolarHBondContact OD1-O 3.48Å; N272-I277 WeakPolarHBondContact OD1-CG1 3.31Å
273	D	96.6	Very high	96.7	Very high	121 Å²	121	62.2 Å²	62.2	65%	0.647	31%	0.31	S	S	*	.	G	3₁₀ helix	trans	-64.2	-19.1	177.4	-58.7	-17.6	0	0	0	111.6	K270 G271	K270-D273 WeakPolarHBondContact CD-OD2 3.29Å; K270-D273 WeakPolarHBondContact O-CB 3.42Å; K270-D273 PolarHBondContact O-N 3.36Å; G271-D273 PolarHBondContact O-N 2.85Å
274	F	97.5	Very high	96.3	Very high	52 Å²	52	63.9 Å²	63.9	23%	0.228	32%	0.32	C	S	.	.	G	3₁₀ helix	trans	-108.7	9.5	177	-57.2	-91.8	0	0	0	113.1	A221 D222 A225 A226 A229 F266 K270 G271 N272 L276	A221-F274 WeakPolarHBondContact CA-O 3.41Å; A221-F274 VanDerWaalsContact CB-O 3.25Å; A221-F274 WeakPolarHBondContact CB-O 3.23Å; D222-F274 PolarHBondContact N-O 3.21Å; D222-F274 VanDerWaalsContact N-O 3.12Å; A225-F274 HydrophobicContact CB-CD1 4.15Å; A225-F274 HydrophobicContact CB-CE1 4.18Å; A226-F274 HydrophobicContact CB-CB 3.62Å; A226-F274 HydrophobicContact CB-CD1 3.89Å; A226-F274 HydrophobicContact CB-CD2 3.87Å; A226-F274 HydrophobicContact CB-CG 3.52Å; A229-F274 HydrophobicContact CB-CE1 4.34Å; A229-F274 HydrophobicContact CB-CE2 4.39Å; A229-F274 HydrophobicContact CB-CZ 3.71Å; F266-F274 AromaticContact CE1-CE2 3.97Å; F266-F274 HydrophobicContact CE1-CE2 3.97Å; F266-F274 HydrophobicContact CZ-CE2 4.08Å; F266-F274 HydrophobicContact CZ-CZ 4.44Å; K270-F274 WeakPolarHBondContact O-CD2 3.33Å; G271-F274 CarbonylContact O-C 3.27Å; G271-F274 WeakPolarHBondContact O-CA 3.37Å; G271-F274 PolarHBondContact O-N 3.25Å; N272-F274 PolarHBondContact O-N 3.43Å; N272-F274 VanDerWaalsContact O-N 3.15Å; F274-L276 HydrophobicContact CB-CG 4.34Å
275	G	96.9	Very high	96	Very high	13 Å²	13	66 Å²	66	13%	0.134	33%	0.334	C	S	.	.	T	Hydrogen-bonded Turn	trans	74.9	21.4	-175.8	0	0	0	0	0	114.6	Q218 A221 G271 N272	Q218-G275 VanDerWaalsContact CB-O 3.31Å; Q218-G275 WeakPolarHBondContact CB-O 3.4Å; Q218-G275 WeakPolarHBondContact CG-O 3.23Å; Q218-G275 PolarHBondContact N-O 3.26Å; A221-G275 WeakPolarHBondContact CB-O 3.36Å; G271-G275 PolarHBondContact O-N 2.95Å; N272-G275 PolarHBondContact O-N 2.93Å
276	L	97.2	Very high	95.8	Very high	0 Å²	0	60.3 Å²	60.3	0%	0	31%	0.313	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109	118.1	178.4	-52.6	179.3	0	0	0	111	M215 I217 A221 L223 A226 L267 G271 N272 F274	M215-L276 HydrophobicContact CE-CB 3.43Å; M215-L276 VanDerWaalsContact CE-CB 3.43Å; M215-L276 HydrophobicContact CE-CD1 4.21Å; M215-L276 HydrophobicContact CE-CG 4.48Å; M215-L276 HydrophobicContact SD-CB 4.21Å; M215-L276 HydrophobicContact SD-CD1 4.15Å; I217-L276 HydrophobicContact CB-CD2 4.34Å; I217-L276 HydrophobicContact CG1-CD2 3.99Å; I217-L276 HydrophobicContact CG2-CD2 4.09Å; A221-L276 HydrophobicContact CB-CD2 4.02Å; L223-L276 HydrophobicContact CB-CD2 4.45Å; L223-L276 HydrophobicContact CD1-CD1 3.72Å; L223-L276 HydrophobicContact CD1-CD2 3.95Å; A226-L276 HydrophobicContact CB-CD1 3.31Å; A226-L276 HydrophobicContact CB-CG 4.34Å; L267-L276 HydrophobicContact CD2-CD1 4.35Å; G271-L276 CarbonylContact C-O 2.9Å; G271-L276 WeakPolarHBondContact CA-O 3.21Å; G271-L276 WeakPolarHBondContact O-CA 3.39Å; G271-L276 WeakPolarHBondContact O-CB 3.42Å; G271-L276 PolarHBondContact O-N 2.85Å; N272-L276 PolarHBondContact N-O 3.48Å; N272-L276 PolarHBondContact OD1-O 3.48Å; F274-L276 HydrophobicContact CB-CG 4.34Å
277	I	97.3	Very high	95.8	Very high	41 Å²	41	59 Å²	59	21%	0.21	31%	0.307	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.9	116.8	-178.3	-64.7	168.3	0	0	0	108.9	M215 R216 Q218 N272 V279	M215-I277 WeakPolarHBondContact CA-O 3.26Å; R216-I277 HydrophobicContact CB-CB 4.38Å; R216-I277 PolarHBondContact N-O 3.02Å; R216-I277 PolarHBondContact O-N 3.39Å; Q218-I277 HydrophobicContact CG-CD1 3.9Å; Q218-I277 HydrophobicContact CG-CG1 4.48Å; N272-I277 WeakPolarHBondContact OD1-CG1 3.31Å; I277-V279 PolarHBondContact O-N 3.35Å
278	P	96	Very high	95.8	Very high	46 Å²	46	59.4 Å²	59.4	30%	0.299	31%	0.309	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-63.5	129.5	175.9	27	-34.1	0	0	0	110.1	L213	L213-P278 HydrophobicContact CD1-CB 4.26Å; L213-P278 HydrophobicContact CD2-CB 4.48Å
279	V	96.2	Very high	95.8	Very high	89 Å²	89	57.8 Å²	57.8	54%	0.539	30%	0.295	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.1	-54.5	178.9	178.4	0	0	0	0	110.4	T214 R216 I277	T214-V279 HydrophobicContact CG2-CB 4.02Å; T214-V279 HydrophobicContact CG2-CG1 4.34Å; T214-V279 HydrophobicContact CG2-CG2 4.42Å; T214-V279 WeakPolarHBondContact O-CB 3.34Å; T214-V279 PolarHBondContact O-N 3.06Å; R216-V279 HydrophobicContact CB-CG2 3.87Å; I277-V279 PolarHBondContact O-N 3.35Å
280	K	95.6	Very high	95.9	Very high	120 Å²	120	52 Å²	52	52%	0.522	26%	0.264	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-160.7	134.7	-176.7	-179.9	171.9	-179.3	-178.1	0	111.4	T214 E283	T214-K280 PolarHBondContact N-O 3.21Å; T214-K280 PolarHBondContact O-N 3.03Å; K280-E283 IonicContact NZ-OE1 3.89Å
281	R	96.2	Very high	95.9	Very high	101 Å²	101	49.5 Å²	49.5	38%	0.381	26%	0.258	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.6	122.2	162.3	-175.8	71.3	-175.7	-130	-5.4	108.7	M212 D261	M212-R281 WeakPolarHBondContact O-CD 3.49Å; D261-R281 IonicContact OD1-CZ 3.63Å; D261-R281 IonicContact OD1-NH1 3.73Å; D261-R281 IonicContact OD1-NH2 2.65Å; D261-R281 PolarHBondContact OD1-NH2 3.09Å
282	I	93.8	Very high	96	Very high	47 Å²	47	51 Å²	51	24%	0.241	27%	0.266	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-79	133	-177.4	-50.3	-177.1	0	0	0	109.1	M212 V256 V284	M212-I282 HydrophobicContact CB-CB 4.13Å; M212-I282 HydrophobicContact CB-CD1 3.9Å; M212-I282 HydrophobicContact CB-CG1 4.2Å; M212-I282 PolarHBondContact O-N 3.05Å; V256-I282 HydrophobicContact CB-CD1 4.39Å; V256-I282 HydrophobicContact CG1-CD1 3.46Å; V256-I282 VanDerWaalsContact CG1-CD1 3.46Å; V256-I282 HydrophobicContact CG2-CD1 3.98Å; I282-V284 VanDerWaalsContact C-N 3.26Å; I282-V284 HydrophobicContact CB-CG2 4.24Å; I282-V284 HydrophobicContact CG2-CG1 3.81Å; I282-V284 HydrophobicContact CG2-CG2 4.15Å; I282-V284 PolarHBondContact O-N 2.97Å
283	E	90.2	Very high	96	Very high	172 Å²	172	46.5 Å²	46.5	80%	0.804	24%	0.242	S	C	*	.			trans	-77.1	74.9	177.6	-68.7	166.3	-143.5	0	0	110.4	K280	K280-E283 IonicContact NZ-OE1 3.89Å
284	V	91.1	Very high	96.1	Very high	36 Å²	36	44.1 Å²	44.1	22%	0.218	23%	0.229	C	C	.	.	S	Bend	trans	-131.5	158.9	177.3	-72.2	0	0	0	0	110.5	M212 I282 G286 F288	M212-V284 HydrophobicContact CB-CG2 4.12Å; M212-V284 HydrophobicContact CG-CG2 3.95Å; M212-V284 HydrophobicContact SD-CG2 3.94Å; I282-V284 VanDerWaalsContact C-N 3.26Å; I282-V284 HydrophobicContact CB-CG2 4.24Å; I282-V284 HydrophobicContact CG2-CG1 3.81Å; I282-V284 HydrophobicContact CG2-CG2 4.15Å; I282-V284 PolarHBondContact O-N 2.97Å; V284-G286 VanDerWaalsContact C-N 3.26Å; V284-G286 WeakPolarHBondContact CG2-O 3.14Å; V284-G286 PolarHBondContact O-N 3.12Å; V284-F288 HydrophobicContact CB-CD2 4.3Å; V284-F288 HydrophobicContact CB-CE2 3.59Å; V284-F288 HydrophobicContact CB-CZ 4.02Å; V284-F288 HydrophobicContact CG1-CD2 4.21Å; V284-F288 HydrophobicContact CG1-CE2 3.55Å; V284-F288 HydrophobicContact CG1-CZ 4.36Å; V284-F288 HydrophobicContact CG2-CE2 4.32Å
285	S	90.4	Very high	96.1	Very high	45 Å²	45	43.8 Å²	43.8	32%	0.315	23%	0.233	S	C	.	.	S	Bend	trans	-70	-18.5	-176.4	54.6	0	0	0	0	114.3	T136 C205	T136-S285 PolarHBondContact OG1-OG 3.13Å; C205-S285 WeakPolarHBondContact CB-O 3.43Å; C205-S285 PolarHBondContact SG-OG 3.38Å
286	G	95.2	Very high	96.1	Very high	0 Å²	0	43.2 Å²	43.2	0%	0	23%	0.227	C	C	.	.	S	Bend	trans	-177.3	-171.8	-179.6	0	0	0	0	0	114	C205 S210 V284 F288	C205-G286 VanDerWaalsContact SG-CA 3.56Å; C205-G286 PolarHBondContact SG-N 2.91Å; S210-G286 VanDerWaalsContact OG-CA 3.32Å; S210-G286 WeakPolarHBondContact OG-CA 3.5Å; V284-G286 VanDerWaalsContact C-N 3.26Å; V284-G286 WeakPolarHBondContact CG2-O 3.14Å; V284-G286 PolarHBondContact O-N 3.12Å; G286-F288 PolarHBondContact O-N 3.33Å
287	A	97.7	Very high	96.2	Very high	0 Å²	0	43.7 Å²	43.7	0%	0	23%	0.231	C	C	.	.			trans	-81.9	75.1	-176.5	0	0	0	0	0	113	S210 G211 G259 T290 L292	S210-A287 PolarHBondContact OG-N 3.33Å; S210-A287 VanDerWaalsContact OG-N 3.12Å; G211-A287 VanDerWaalsContact O-CA 3.29Å; G211-A287 WeakPolarHBondContact O-CA 3.44Å; G211-A287 VanDerWaalsContact O-CB 3.24Å; G211-A287 WeakPolarHBondContact O-CB 3.36Å; G259-A287 VanDerWaalsContact N-CB 3.31Å; A287-T290 HydrophobicContact CB-CG2 4.18Å; A287-T290 PolarHBondContact O-OG1 3.24Å; A287-L292 HydrophobicContact CB-CB 4.48Å; A287-L292 HydrophobicContact CB-CD1 3.69Å
288	F	97.7	Very high	96.2	Very high	9 Å²	9	48.3 Å²	48.3	4%	0.039	25%	0.249	C	C	.	.	T	Hydrogen-bonded Turn	trans	-58.3	153.9	173.7	-50.1	-36.3	0	0	0	111.7	T136 M201 C205 M212 A247 V284 G286 T290 M293	T136-F288 HydrophobicContact CG2-CE1 4.44Å; T136-F288 HydrophobicContact CG2-CZ 4.16Å; T136-F288 WeakPolarHBondContact OG1-CZ 3.44Å; M201-F288 HydrophobicContact CE-CB 3.86Å; M201-F288 HydrophobicContact CE-CD1 3.26Å; M201-F288 HydrophobicContact CE-CD2 4.24Å; M201-F288 HydrophobicContact CE-CE1 3.78Å; M201-F288 HydrophobicContact CE-CG 3.54Å; M201-F288 HydrophobicContact CE-CZ 4.46Å; C205-F288 WeakPolarHBondContact SG-CE1 3.49Å; M212-F288 HydrophobicContact CE-CB 4.37Å; M212-F288 HydrophobicContact SD-CB 3.86Å; M212-F288 HydrophobicContact SD-CD2 3.85Å; M212-F288 HydrophobicContact SD-CG 4.12Å; A247-F288 WeakPolarHBondContact CB-O 3.21Å; V284-F288 HydrophobicContact CB-CD2 4.3Å; V284-F288 HydrophobicContact CB-CE2 3.59Å; V284-F288 HydrophobicContact CB-CZ 4.02Å; V284-F288 HydrophobicContact CG1-CD2 4.21Å; V284-F288 HydrophobicContact CG1-CE2 3.55Å; V284-F288 HydrophobicContact CG1-CZ 4.36Å; V284-F288 HydrophobicContact CG2-CE2 4.32Å; G286-F288 PolarHBondContact O-N 3.33Å; F288-T290 PolarHBondContact O-N 3.07Å; F288-M293 HydrophobicContact CD1-CE 4.44Å; F288-M293 HydrophobicContact CD1-SD 4.05Å
289	H	98.5	Very high	96.3	Very high	4 Å²	4	46.5 Å²	46.5	2%	0.019	24%	0.239	C	C	.	.	T	Hydrogen-bonded Turn	trans	62.7	31.4	177.1	-56	-63.2	0	0	0	113.4	S172 Q245 A247 Q338 V339 K341 V343	S172-H289 WeakPolarHBondContact CB-NE2 3.41Å; S172-H289 PolarHBondContact OG-CE1 3.36Å; S172-H289 PolarHBondContact OG-NE2 2.85Å; Q245-H289 PolarHBondContact NE2-O 3.04Å; A247-H289 HydrophobicContact CB-CB 4.08Å; A247-H289 WeakPolarHBondContact O-CB 3.12Å; H289-Q338 PolarHBondContact ND1-O 2.85Å; H289-V339 WeakPolarHBondContact CA-O 3.08Å; H289-V339 PolarHBondContact N-O 3.03Å; H289-K341 VanDerWaalsContact CB-O 3.23Å; H289-K341 WeakPolarHBondContact CB-O 3.36Å; H289-K341 PolarHBondContact ND1-O 3.43Å; H289-K341 CarbonylContact O-C 3.48Å; H289-V343 HydrophobicContact CB-CG2 4.47Å; H289-V343 VanDerWaalsContact CE1-CG2 3.41Å; H289-V343 WeakPolarHBondContact CE1-CG2 3.47Å; H289-V343 WeakPolarHBondContact ND1-CG2 3.29Å
290	T	98.5	Very high	96.4	Very high	0 Å²	0	42.3 Å²	42.3	0%	0	21%	0.213	C	C	.	.	S	Bend	trans	-135.3	165	175	77.7	0	0	0	0	112	Q245 A247 A287 F288 L292 M293 S340	Q245-T290 HydrophobicContact CG-CG2 3.66Å; A247-T290 HydrophobicContact CB-CG2 4.05Å; A287-T290 HydrophobicContact CB-CG2 4.18Å; A287-T290 PolarHBondContact O-OG1 3.24Å; F288-T290 PolarHBondContact O-N 3.07Å; T290-L292 PolarHBondContact O-N 3.47Å; T290-L292 WeakPolarHBondContact OG1-CB 3.41Å; T290-L292 PolarHBondContact OG1-N 3.38Å; T290-M293 WeakPolarHBondContact O-CB 3.3Å; T290-M293 PolarHBondContact O-N 3.38Å; T290-S340 CarbonylContact C-O 3.59Å; T290-S340 VanDerWaalsContact C-O 3.27Å; T290-S340 VanDerWaalsContact O-CA 3.23Å; T290-S340 WeakPolarHBondContact O-CA 3.36Å; T290-S340 VanDerWaalsContact O-CB 3.25Å; T290-S340 WeakPolarHBondContact O-CB 3.4Å
291	P	97.9	Very high	96.5	Very high	49 Å²	49	40.1 Å²	40.1	32%	0.318	20%	0.202	S	C	.	.	G	3₁₀ helix	trans	-51.8	-20.8	174.5	-30.7	34.3	0	0	0	114.7	V243 M293 D294	V243-P291 HydrophobicContact CG2-CB 4.16Å; P291-M293 PolarHBondContact O-N 2.95Å; P291-M293 VanDerWaalsContact O-N 3.07Å; P291-D294 VanDerWaalsContact O-CB 3.26Å; P291-D294 WeakPolarHBondContact O-CB 3.48Å; P291-D294 VanDerWaalsContact O-CG 3.24Å; P291-D294 PolarHBondContact O-N 2.77Å
292	L	98.1	Very high	96.5	Very high	32 Å²	32	42.2 Å²	42.2	17%	0.168	21%	0.21	C	C	.	.	G	3₁₀ helix	trans	-60.7	-15.9	171.5	-69	173.7	0	0	0	113.6	V243 A287 T290	V243-L292 HydrophobicContact CB-CD1 4.08Å; V243-L292 HydrophobicContact CB-CD2 4.49Å; V243-L292 HydrophobicContact CB-CG 3.92Å; V243-L292 HydrophobicContact CG1-CD1 4.4Å; V243-L292 HydrophobicContact CG1-CG 4.25Å; V243-L292 HydrophobicContact CG2-CD2 4.15Å; V243-L292 HydrophobicContact CG2-CG 3.92Å; A287-L292 HydrophobicContact CB-CB 4.48Å; A287-L292 HydrophobicContact CB-CD1 3.69Å; T290-L292 PolarHBondContact O-N 3.47Å; T290-L292 WeakPolarHBondContact OG1-CB 3.41Å; T290-L292 PolarHBondContact OG1-N 3.38Å
293	M	98.1	Very high	96.7	Very high	0 Å²	0	40.5 Å²	40.5	0%	0	20%	0.202	C	C	.	.	G	3₁₀ helix	trans	-96.8	10.1	174	-61.8	-66	113.8	0	0	113.5	M201 A204 F288 T290 P291 S295 A296 S297 V339	M201-M293 HydrophobicContact CB-SD 4.22Å; M201-M293 HydrophobicContact CE-SD 4.43Å; M201-M293 HydrophobicContact CG-SD 4.19Å; A204-M293 HydrophobicContact CB-CE 3.79Å; A204-M293 HydrophobicContact CB-SD 3.82Å; F288-M293 HydrophobicContact CD1-CE 4.44Å; F288-M293 HydrophobicContact CD1-SD 4.05Å; T290-M293 WeakPolarHBondContact O-CB 3.3Å; T290-M293 PolarHBondContact O-N 3.38Å; P291-M293 PolarHBondContact O-N 2.95Å; P291-M293 VanDerWaalsContact O-N 3.07Å; M293-S295 VanDerWaalsContact C-N 3.27Å; M293-S295 PolarHBondContact O-N 3.06Å; M293-A296 WeakPolarHBondContact O-CA 3.18Å; M293-A296 WeakPolarHBondContact O-CB 3.49Å; M293-A296 PolarHBondContact O-N 3.26Å; M293-S297 PolarHBondContact O-N 2.93Å; M293-V339 HydrophobicContact CB-CB 4.36Å; M293-V339 HydrophobicContact CB-CG2 4.34Å; M293-V339 WeakPolarHBondContact CB-O 3.23Å; M293-V339 VanDerWaalsContact CG-O 3.29Å; M293-V339 WeakPolarHBondContact CG-O 3.36Å
294	D	97.6	Very high	97.1	Very high	71 Å²	71	32.4 Å²	32.4	38%	0.38	16%	0.164	S	C	.	.	H	α-helix	trans	-62.8	-31.8	-176.8	-83.1	-11.9	0	0	0	113.4	P291 A296 S297 K298 S340	P291-D294 VanDerWaalsContact O-CB 3.26Å; P291-D294 WeakPolarHBondContact O-CB 3.48Å; P291-D294 VanDerWaalsContact O-CG 3.24Å; P291-D294 PolarHBondContact O-N 2.77Å; D294-A296 VanDerWaalsContact C-N 3.33Å; D294-S297 WeakPolarHBondContact O-CB 3.32Å; D294-S297 PolarHBondContact O-N 3.23Å; D294-K298 WeakPolarHBondContact O-CG 3.39Å; D294-K298 PolarHBondContact O-N 2.78Å; D294-S340 WeakPolarHBondContact OD1-CB 3.03Å; D294-S340 PolarHBondContact OD1-OG 3.35Å
295	S	97.5	Very high	97.3	Very high	44 Å²	44	37.2 Å²	37.2	31%	0.308	18%	0.184	S	C	.	.	H	α-helix	trans	-62.8	-41.3	172.1	58.4	0	0	0	0	111.5	A204 M207 M293 K298 G299	A204-S295 WeakPolarHBondContact CB-OG 3.2Å; M207-S295 WeakPolarHBondContact CE-OG 3.3Å; M207-S295 PolarHBondContact SD-OG 3.08Å; M293-S295 VanDerWaalsContact C-N 3.27Å; M293-S295 PolarHBondContact O-N 3.06Å; S295-K298 PolarHBondContact O-N 3.47Å; S295-G299 PolarHBondContact O-N 3.03Å
296	A	98	Very high	97.6	Very high	2 Å²	2	40.7 Å²	40.7	2%	0.017	20%	0.197	C	C	.	.	H	α-helix	trans	-67.4	-40.6	174.5	0	0	0	0	0	112.1	L200 M201 A204 M293 D294 K298 G299 L300 V339	L200-A296 HydrophobicContact CB-CB 3.82Å; M201-A296 HydrophobicContact CG-CB 4.19Å; A204-A296 HydrophobicContact CB-CB 4.21Å; M293-A296 WeakPolarHBondContact O-CA 3.18Å; M293-A296 WeakPolarHBondContact O-CB 3.49Å; M293-A296 PolarHBondContact O-N 3.26Å; D294-A296 VanDerWaalsContact C-N 3.33Å; A296-K298 PolarHBondContact O-N 3.16Å; A296-G299 PolarHBondContact O-N 3.14Å; A296-L300 VanDerWaalsContact O-CB 3.23Å; A296-L300 WeakPolarHBondContact O-CB 3.46Å; A296-L300 PolarHBondContact O-N 3.15Å; A296-V339 HydrophobicContact CB-CG2 4.31Å
297	S	98.3	Very high	97.6	Very high	10 Å²	10	41.7 Å²	41.7	7%	0.07	20%	0.203	C	C	.	.	H	α-helix	trans	-56.3	-46.9	174.7	170.7	0	0	0	0	111.9	M293 D294 G299 L300 R301 A336	M293-S297 PolarHBondContact O-N 2.93Å; D294-S297 WeakPolarHBondContact O-CB 3.32Å; D294-S297 PolarHBondContact O-N 3.23Å; S297-G299 PolarHBondContact O-N 3.05Å; S297-L300 PolarHBondContact O-N 3.12Å; S297-R301 WeakPolarHBondContact O-CB 3.38Å; S297-R301 PolarHBondContact O-N 2.87Å; S297-A336 WeakPolarHBondContact CA-O 3.29Å; S297-A336 VanDerWaalsContact CB-O 3.31Å; S297-A336 WeakPolarHBondContact CB-O 3.44Å; S297-A336 PolarHBondContact OG-O 3.47Å
298	K	97.6	Very high	97.6	Very high	138 Å²	138	50.1 Å²	50.1	60%	0.6	24%	0.24	S	C	*	.	H	α-helix	trans	-62.6	-42.1	176.7	-69.8	170.7	-173.6	174.5	0	112.6	D294 S295 A296 R302	D294-K298 WeakPolarHBondContact O-CG 3.39Å; D294-K298 PolarHBondContact O-N 2.78Å; S295-K298 PolarHBondContact O-N 3.47Å; A296-K298 PolarHBondContact O-N 3.16Å; K298-R302 PolarHBondContact O-NH1 2.73Å
299	G	97.5	Very high	97.6	Very high	7 Å²	7	50.9 Å²	50.9	7%	0.072	24%	0.243	C	C	.	.	H	α-helix	trans	-66.9	-44.7	177.3	0	0	0	0	0	112.5	L200 S295 A296 S297 R301 R302 A303	L200-G299 VanDerWaalsContact CD1-C 3.43Å; S295-G299 PolarHBondContact O-N 3.03Å; A296-G299 PolarHBondContact O-N 3.14Å; S297-G299 PolarHBondContact O-N 3.05Å; G299-R301 VanDerWaalsContact C-N 3.35Å; G299-R301 PolarHBondContact O-N 2.82Å; G299-R302 PolarHBondContact O-N 3.15Å; G299-A303 PolarHBondContact O-N 2.78Å
300	L	98.1	Very high	97.5	Very high	1 Å²	1	53.4 Å²	53.4	1%	0.005	26%	0.262	C	S	.	.	H	α-helix	trans	-67.1	-37.5	-177.7	178.8	63.6	0	0	0	111.4	R197 L200 A296 S297 R302 A303 L304 L335 V339	R197-L300 HydrophobicContact CB-CD1 4.17Å; R197-L300 HydrophobicContact CG-CD2 4.35Å; L200-L300 HydrophobicContact CD1-CB 4.08Å; L200-L300 VanDerWaalsContact CD1-N 3.27Å; A296-L300 VanDerWaalsContact O-CB 3.23Å; A296-L300 WeakPolarHBondContact O-CB 3.46Å; A296-L300 PolarHBondContact O-N 3.15Å; S297-L300 PolarHBondContact O-N 3.12Å; L300-R302 VanDerWaalsContact C-N 3.27Å; L300-R302 PolarHBondContact O-N 3.49Å; L300-A303 PolarHBondContact O-N 3.18Å; L300-A303 VanDerWaalsContact O-N 3.1Å; L300-L304 HydrophobicContact CD1-CD1 4.23Å; L300-L304 HydrophobicContact CD1-CG 4.15Å; L300-L304 HydrophobicContact CD2-CD1 4.27Å; L300-L304 HydrophobicContact CG-CD1 3.72Å; L300-L304 HydrophobicContact CG-CG 4.15Å; L300-L304 VanDerWaalsContact O-CG 3.31Å; L300-L304 WeakPolarHBondContact O-CG 3.38Å; L300-L304 PolarHBondContact O-N 3.5Å; L300-L335 WeakPolarHBondContact CD2-O 3.4Å; L300-V339 HydrophobicContact CD2-CG1 3.97Å
301	R	98.2	Very high	97.4	Very high	74 Å²	74	60.6 Å²	60.6	28%	0.279	29%	0.293	S	S	.	.	H	α-helix	trans	-51.7	-44.6	173.2	-177.4	171.4	-66.8	-74.3	-4.5	112.7	S297 G299 L304 Q305 D333 A336	S297-R301 WeakPolarHBondContact O-CB 3.38Å; S297-R301 PolarHBondContact O-N 2.87Å; G299-R301 VanDerWaalsContact C-N 3.35Å; G299-R301 PolarHBondContact O-N 2.82Å; R301-L304 PolarHBondContact O-N 3.49Å; R301-Q305 WeakPolarHBondContact O-CG 3.37Å; R301-Q305 PolarHBondContact O-N 3.14Å; R301-Q305 VanDerWaalsContact O-N 3.16Å; R301-D333 IonicContact CZ-OD1 3.79Å; R301-D333 IonicContact NH1-OD1 3.74Å; R301-D333 PolarHBondContact NH1-OD1 3.4Å; R301-A336 HydrophobicContact CB-CB 3.89Å; R301-A336 HydrophobicContact CG-CB 4.37Å
302	R	97.4	Very high	97.4	Very high	146 Å²	146	58.8 Å²	58.8	55%	0.551	28%	0.281	S	S	*	.	H	α-helix	trans	-64.4	-42.5	178.6	-65.9	-171	-65.5	-89.3	6.7	111.7	K298 G299 L300 Q305	K298-R302 PolarHBondContact O-NH1 2.73Å; G299-R302 PolarHBondContact O-N 3.15Å; L300-R302 VanDerWaalsContact C-N 3.27Å; L300-R302 PolarHBondContact O-N 3.49Å; R302-Q305 PolarHBondContact O-N 2.83Å
303	A	97.5	Very high	97.2	Very high	10 Å²	10	59.8 Å²	59.8	8%	0.083	29%	0.294	C	S	.	.	H	α-helix	trans	-66.1	-40.5	177.9	0	0	0	0	0	112.2	L193 I196 G299 L300 Q305 M306	L193-A303 HydrophobicContact CD2-CB 3.95Å; I196-A303 HydrophobicContact CD1-CB 3.72Å; I196-A303 HydrophobicContact CG2-CB 3.95Å; G299-A303 PolarHBondContact O-N 2.78Å; L300-A303 PolarHBondContact O-N 3.18Å; L300-A303 VanDerWaalsContact O-N 3.1Å; A303-Q305 VanDerWaalsContact C-N 3.29Å; A303-Q305 PolarHBondContact O-N 2.82Å; A303-M306 PolarHBondContact O-N 3.33Å; A303-M306 VanDerWaalsContact O-N 3.16Å
304	L	98.1	Very high	97.1	Very high	2 Å²	2	60.5 Å²	60.5	1%	0.01	30%	0.298	C	S	.	.	H	α-helix	trans	-64.7	-31.9	178.5	-71.1	165.5	0	0	0	112.7	L193 L300 R301 M306 V307 F309 P332 L335 A336	L193-L304 HydrophobicContact CD1-CD2 3.78Å; L193-L304 HydrophobicContact CD2-CD2 3.84Å; L193-L304 HydrophobicContact CD2-CG 4.18Å; L193-L304 HydrophobicContact CG-CD2 4.39Å; L300-L304 HydrophobicContact CD1-CD1 4.23Å; L300-L304 HydrophobicContact CD1-CG 4.15Å; L300-L304 HydrophobicContact CD2-CD1 4.27Å; L300-L304 HydrophobicContact CG-CD1 3.72Å; L300-L304 HydrophobicContact CG-CG 4.15Å; L300-L304 VanDerWaalsContact O-CG 3.31Å; L300-L304 WeakPolarHBondContact O-CG 3.38Å; L300-L304 PolarHBondContact O-N 3.5Å; R301-L304 PolarHBondContact O-N 3.49Å; L304-M306 PolarHBondContact O-N 2.81Å; L304-V307 PolarHBondContact O-N 3.08Å; L304-F309 HydrophobicContact CD2-CE2 4.24Å; L304-F309 HydrophobicContact CD2-CZ 3.68Å; L304-P332 HydrophobicContact CB-CB 4.19Å; L304-P332 WeakPolarHBondContact CD1-O 3.32Å; L304-L335 HydrophobicContact CD1-CB 3.73Å; L304-L335 HydrophobicContact CD2-CB 4.19Å; L304-L335 HydrophobicContact CD2-CD1 3.83Å; L304-A336 HydrophobicContact CD1-CB 3.87Å
305	Q	96.2	Very high	97.2	Very high	137 Å²	137	62.9 Å²	62.9	64%	0.64	31%	0.305	S	S	*	.	H	α-helix	trans	-66.8	-20.9	176.1	-74.7	171	-32.2	0	0	113.4	R301 R302 A303 V307	R301-Q305 WeakPolarHBondContact O-CG 3.37Å; R301-Q305 PolarHBondContact O-N 3.14Å; R301-Q305 VanDerWaalsContact O-N 3.16Å; R302-Q305 PolarHBondContact O-N 2.83Å; A303-Q305 VanDerWaalsContact C-N 3.29Å; A303-Q305 PolarHBondContact O-N 2.82Å; Q305-V307 VanDerWaalsContact C-N 3.32Å
306	M	95.1	Very high	97.2	Very high	118 Å²	118	60.8 Å²	60.8	58%	0.581	29%	0.29	S	S	*	.	T	Hydrogen-bonded Turn	trans	-88.7	-0.2	179.2	-58.6	-57	-62.4	0	0	113.1	A303 L304	A303-M306 PolarHBondContact O-N 3.33Å; A303-M306 VanDerWaalsContact O-N 3.16Å; L304-M306 PolarHBondContact O-N 2.81Å
307	V	96.5	Very high	97.3	Very high	21 Å²	21	61.3 Å²	61.3	13%	0.127	29%	0.292	C	S	.	.	S	Bend	trans	-115.5	135.2	-175.1	176.4	0	0	0	0	110.2	L185 L193 L304 Q305 F309	L185-V307 HydrophobicContact CD1-CG1 3.39Å; L193-V307 HydrophobicContact CD1-CB 4.26Å; L193-V307 HydrophobicContact CD1-CG1 4.15Å; L193-V307 HydrophobicContact CD1-CG2 3.99Å; L193-V307 HydrophobicContact CD2-CG2 4Å; L193-V307 HydrophobicContact CG-CG2 4.04Å; L304-V307 PolarHBondContact O-N 3.08Å; Q305-V307 VanDerWaalsContact C-N 3.32Å; V307-F309 HydrophobicContact CB-CE2 4.03Å; V307-F309 HydrophobicContact CB-CZ 4.5Å; V307-F309 HydrophobicContact CG1-CD2 4.5Å; V307-F309 HydrophobicContact CG1-CE2 4.04Å; V307-F309 HydrophobicContact CG1-CZ 4.24Å; V307-F309 WeakPolarHBondContact O-CD2 3.44Å
308	K	96.7	Very high	97.3	Very high	177 Å²	177	60.8 Å²	60.8	77%	0.77	29%	0.288	S	S	*	.			trans	-79.3	126.7	174	-175	178.1	178.8	-179.5	0	110.1
309	F	97.8	Very high	97.3	Very high	25 Å²	25	54.2 Å²	54.2	11%	0.11	26%	0.26	C	S	.	.			trans	-107	147.9	172.2	-69.1	-91.6	0	0	0	111.1	A184 L185 L193 L304 V307 A328 I331 P332 L335	A184-F309 CarbonylContact O-C 3.49Å; A184-F309 WeakPolarHBondContact O-CA 3.49Å; L185-F309 HydrophobicContact CB-CD1 4.39Å; L185-F309 HydrophobicContact CB-CE1 4.29Å; L185-F309 HydrophobicContact CD1-CD1 4.33Å; L185-F309 HydrophobicContact CD1-CE1 3.87Å; L185-F309 HydrophobicContact CD1-CZ 4.2Å; L185-F309 HydrophobicContact CD2-CE1 4.17Å; L185-F309 HydrophobicContact CG-CE1 4.34Å; L193-F309 HydrophobicContact CD1-CZ 4.1Å; L304-F309 HydrophobicContact CD2-CE2 4.24Å; L304-F309 HydrophobicContact CD2-CZ 3.68Å; V307-F309 HydrophobicContact CB-CE2 4.03Å; V307-F309 HydrophobicContact CB-CZ 4.5Å; V307-F309 HydrophobicContact CG1-CD2 4.5Å; V307-F309 HydrophobicContact CG1-CE2 4.04Å; V307-F309 HydrophobicContact CG1-CZ 4.24Å; V307-F309 WeakPolarHBondContact O-CD2 3.44Å; F309-A328 HydrophobicContact CB-CB 4.3Å; F309-I331 HydrophobicContact CB-CD1 4.46Å; F309-I331 HydrophobicContact CD1-CB 4.09Å; F309-I331 HydrophobicContact CD1-CD1 4.32Å; F309-I331 HydrophobicContact CD1-CG2 3.55Å; F309-I331 HydrophobicContact CE1-CB 4.5Å; F309-I331 HydrophobicContact CE1-CG2 3.58Å; F309-I331 HydrophobicContact CG-CB 4.44Å; F309-I331 HydrophobicContact CG-CG2 4.33Å; F309-I331 HydrophobicContact CZ-CG2 4.39Å; F309-P332 HydrophobicContact CD2-CG 3.68Å; F309-P332 HydrophobicContact CE2-CB 4.47Å; F309-P332 HydrophobicContact CE2-CG 3.83Å; F309-P332 HydrophobicContact CG-CG 4.39Å; F309-L335 HydrophobicContact CE1-CD1 4.1Å; F309-L335 HydrophobicContact CZ-CD1 4.24Å
310	S	97.1	Very high	97.4	Very high	58 Å²	58	54.5 Å²	54.5	41%	0.406	26%	0.26	S	S	.	.			trans	-112.9	162.3	172.3	-66.2	0	0	0	0	110.4	G183 A184	G183-S310 WeakPolarHBondContact O-CB 3.4Å; A184-S310 WeakPolarHBondContact CA-O 3.27Å; A184-S310 WeakPolarHBondContact CB-O 3.29Å; A184-S310 PolarHBondContact O-N 2.88Å
311	K	96.4	Very high	97.4	Very high	150 Å²	150	57.6 Å²	57.6	65%	0.652	28%	0.276	S	S	*	.			trans	-69.4	128.3	171.4	-175.8	-177.8	179.1	-178.7	0	108.4	A313	K311-A313 PolarHBondContact O-N 3.34Å
312	P	96.6	Very high	97.4	Very high	12 Å²	12	55 Å²	55	8%	0.078	27%	0.27	C	S	.	.			trans	-57	137.8	175.6	-20.2	27.5	0	0	0	112.2	G182 A184 I314 V316 I331	G182-P312 CarbonylContact O-C 3.59Å; G182-P312 VanDerWaalsContact O-CA 3.32Å; G182-P312 WeakPolarHBondContact O-CA 3.44Å; A184-P312 HydrophobicContact CB-CB 4.25Å; A184-P312 HydrophobicContact CB-CG 3.76Å; P312-I314 VanDerWaalsContact C-N 3.3Å; P312-I314 VanDerWaalsContact CB-O 3.28Å; P312-I314 WeakPolarHBondContact CB-O 2.97Å; P312-V316 HydrophobicContact CB-CB 4.2Å; P312-V316 HydrophobicContact CB-CG2 3.71Å; P312-V316 HydrophobicContact CG-CB 4.19Å; P312-V316 HydrophobicContact CG-CG2 4.18Å; P312-I331 HydrophobicContact CG-CD1 4.34Å
313	A	95.6	Very high	97.4	Very high	53 Å²	53	51.8 Å²	51.8	44%	0.438	26%	0.258	S	S	.	.	S	Bend	trans	-72.3	-24.6	177.9	0	0	0	0	0	112.9	L71 G182 K311	L71-A313 HydrophobicContact CB-CB 4.21Å; G182-A313 PolarHBondContact O-N 3.22Å; K311-A313 PolarHBondContact O-N 3.34Å
314	I	96.3	Very high	97.5	Very high	14 Å²	14	53 Å²	53	7%	0.072	27%	0.265	C	S	.	.	S	Bend	trans	-123	168.9	175.4	60.8	170.3	0	0	0	109.9	C165 A168 F181 P312 V316	C165-I314 HydrophobicContact CB-CD1 4.46Å; C165-I314 VanDerWaalsContact O-CG2 3.27Å; C165-I314 WeakPolarHBondContact O-CG2 3.49Å; A168-I314 HydrophobicContact CB-CD1 3.85Å; F181-I314 HydrophobicContact CD1-CD1 3.79Å; F181-I314 HydrophobicContact CE1-CD1 3.42Å; F181-I314 VanDerWaalsContact CE1-CD1 3.42Å; F181-I314 HydrophobicContact CZ-CD1 4.34Å; P312-I314 VanDerWaalsContact C-N 3.3Å; P312-I314 VanDerWaalsContact CB-O 3.28Å; P312-I314 WeakPolarHBondContact CB-O 2.97Å; I314-V316 HydrophobicContact CG1-CG2 4.37Å; I314-V316 PolarHBondContact O-N 2.94Å
315	K	98.1	Very high	97.5	Very high	122 Å²	122	53.5 Å²	53.5	53%	0.53	27%	0.267	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-67.6	108.4	177.2	-67.7	177.1	-178.9	176.5	0	110.4	V166 A167 A168 Y317 P324	V166-K315 PolarHBondContact O-N 2.91Å; A167-K315 CarbonylContact C-O 3.57Å; A167-K315 VanDerWaalsContact CA-O 3.23Å; A167-K315 WeakPolarHBondContact CA-O 3.16Å; A167-K315 HydrophobicContact CB-CB 4.18Å; A168-K315 PolarHBondContact N-O 3.28Å; K315-Y317 HydrophobicContact CB-CE2 3.94Å; K315-P324 HydrophobicContact CB-CB 4.05Å; K315-P324 HydrophobicContact CB-CG 3.98Å; K315-P324 HydrophobicContact CD-CG 4.12Å; K315-P324 HydrophobicContact CG-CB 4.26Å; K315-P324 HydrophobicContact CG-CG 4.11Å
316	V	98.7	Very high	97.4	Very high	0 Å²	0	53.2 Å²	53.2	0%	0	27%	0.265	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.2	118.4	172	-179.5	0	0	0	0	109.6	A168 A178 L179 P312 I314 P324 Y325	A168-V316 HydrophobicContact CB-CG2 4.43Å; A168-V316 WeakPolarHBondContact O-CA 3.29Å; A178-V316 HydrophobicContact CB-CG1 3.93Å; L179-V316 HydrophobicContact CD2-CB 4.5Å; L179-V316 HydrophobicContact CD2-CG1 3.92Å; L179-V316 HydrophobicContact CG-CG1 4.14Å; P312-V316 HydrophobicContact CB-CB 4.2Å; P312-V316 HydrophobicContact CB-CG2 3.71Å; P312-V316 HydrophobicContact CG-CB 4.19Å; P312-V316 HydrophobicContact CG-CG2 4.18Å; I314-V316 HydrophobicContact CG1-CG2 4.37Å; I314-V316 PolarHBondContact O-N 2.94Å; V316-P324 CarbonylContact O-C 3.52Å; V316-P324 VanDerWaalsContact O-CA 3.27Å; V316-P324 WeakPolarHBondContact O-CA 3.45Å; V316-Y325 HydrophobicContact CB-CD2 4.43Å; V316-Y325 HydrophobicContact CG1-CD2 4.29Å; V316-Y325 WeakPolarHBondContact O-CD2 3.17Å; V316-Y325 PolarHBondContact O-N 3.31Å
317	Y	98.7	Very high	97.5	Very high	12 Å²	12	49.5 Å²	49.5	5%	0.047	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.9	131.6	-175.1	-71.8	-105.4	0	0	0	112.4	A167 A168 K315 P324 I348 A351 I352	A167-Y317 HydrophobicContact CB-CD2 4.5Å; A167-Y317 HydrophobicContact CB-CE2 3.84Å; A168-Y317 PolarHBondContact O-N 3.06Å; K315-Y317 HydrophobicContact CB-CE2 3.94Å; Y317-P324 HydrophobicContact CD1-CG 4.11Å; Y317-P324 HydrophobicContact CD2-CG 4.35Å; Y317-P324 VanDerWaalsContact CE1-CD 3.45Å; Y317-P324 HydrophobicContact CE1-CG 3.67Å; Y317-P324 HydrophobicContact CE2-CG 3.94Å; Y317-P324 HydrophobicContact CG-CG 4.42Å; Y317-I348 HydrophobicContact CD1-CG2 4.23Å; Y317-I348 HydrophobicContact CG-CG2 4.06Å; Y317-A351 HydrophobicContact CD1-CB 4.29Å; Y317-A351 HydrophobicContact CE1-CB 3.66Å; Y317-A351 PolarHBondContact OH-O 3.13Å; Y317-I352 HydrophobicContact CD1-CG1 4.28Å; Y317-I352 HydrophobicContact CD2-CD1 4Å; Y317-I352 HydrophobicContact CD2-CG1 3.78Å; Y317-I352 HydrophobicContact CE1-CG1 4Å; Y317-I352 HydrophobicContact CE2-CD1 4.16Å; Y317-I352 HydrophobicContact CE2-CG1 3.46Å; Y317-I352 VanDerWaalsContact CE2-CG1 3.46Å; Y317-I352 HydrophobicContact CG-CD1 4.36Å; Y317-I352 HydrophobicContact CG-CG1 4.19Å
318	S	98.7	Very high	97.5	Very high	0 Å²	0	49.7 Å²	49.7	0%	0	26%	0.255	C	S	.	.	P	Polyproline II helix	trans	-81.6	135.1	175	162.9	0	0	0	0	111.9	E175 V320 L321 A322 R323 S334	E175-S318 WeakPolarHBondContact OE1-CA 3.36Å; S318-V320 PolarHBondContact O-N 3.45Å; S318-V320 PolarHBondContact OG-N 2.69Å; S318-V320 VanDerWaalsContact OG-N 3.11Å; S318-L321 PolarHBondContact OG-N 2.93Å; S318-L321 VanDerWaalsContact OG-N 3.08Å; S318-A322 WeakPolarHBondContact O-CA 3.39Å; S318-A322 PolarHBondContact O-N 3.31Å; S318-R323 PolarHBondContact N-O 3.41Å; S318-S334 PolarHBondContact OG-OG 3.24Å
319	N	98.8	Very high	97.4	Very high	0 Å²	0	48.3 Å²	48.3	0%	0	26%	0.255	C	S	.	.	T	Hydrogen-bonded Turn	trans	-63.4	-26.6	173.5	-74.1	-73.2	0	0	0	113.4	G170 S172 E175 Q338 V343 K344	G170-N319 PolarHBondContact O-ND2 2.96Å; G170-N319 PolarHBondContact O-OD1 3.04Å; S172-N319 PolarHBondContact N-ND2 2.85Å; E175-N319 WeakPolarHBondContact OE2-CB 3.41Å; E175-N319 PolarHBondContact OE2-N 3.45Å; E175-N319 PolarHBondContact OE2-ND2 3.39Å; N319-Q338 HydrophobicContact CB-CG 4.11Å; N319-Q338 PolarHBondContact ND2-NE2 2.65Å; N319-V343 HydrophobicContact CB-CG1 4.31Å; N319-V343 HydrophobicContact CB-CG2 4.26Å; N319-V343 VanDerWaalsContact OD1-CG1 3.22Å; N319-V343 WeakPolarHBondContact OD1-CG1 3.36Å; N319-K344 WeakPolarHBondContact O-CB 3.49Å; N319-K344 PolarHBondContact O-N 3.27Å
320	V	98.4	Very high	97.4	Very high	13 Å²	13	49.3 Å²	49.3	8%	0.079	26%	0.26	C	S	.	.	T	Hydrogen-bonded Turn	trans	-89.2	-44.2	-176.8	178.5	0	0	0	0	111.4	S318 V337 Q338 K341 K344	S318-V320 PolarHBondContact O-N 3.45Å; S318-V320 PolarHBondContact OG-N 2.69Å; S318-V320 VanDerWaalsContact OG-N 3.11Å; V320-V337 HydrophobicContact CG1-CG2 4.17Å; V320-V337 HydrophobicContact CG2-CG2 4.3Å; V320-Q338 HydrophobicContact CG2-CB 3.87Å; V320-Q338 HydrophobicContact CG2-CG 4.09Å; V320-K341 HydrophobicContact CG1-CB 4.44Å; V320-K341 HydrophobicContact CG1-CD 3.77Å; V320-K341 HydrophobicContact CG2-CB 4.25Å; V320-K344 WeakPolarHBondContact O-CD 3.16Å; V320-K344 WeakPolarHBondContact O-CE 3.32Å; V320-K344 PolarHBondContact O-NZ 3.44Å; V320-K344 VanDerWaalsContact O-NZ 3.07Å
321	L	97.9	Very high	97.4	Very high	65 Å²	65	46.6 Å²	46.6	34%	0.34	24%	0.241	S	C	.	.	T	Hydrogen-bonded Turn	trans	-85.6	-21.2	-175.1	-53.7	175.3	0	0	0	112.3	S318 R323 Y325	S318-L321 PolarHBondContact OG-N 2.93Å; S318-L321 VanDerWaalsContact OG-N 3.08Å; L321-R323 HydrophobicContact CB-CG 3.79Å; L321-R323 PolarHBondContact O-N 3.17Å; L321-Y325 HydrophobicContact CD1-CE1 4.4Å
322	A	98.1	Very high	97.5	Very high	19 Å²	19	40.8 Å²	40.8	16%	0.157	22%	0.219	C	C	.	.	S	Bend	trans	55	29.2	-174.4	0	0	0	0	0	114.1	S318 K344 Q347 I348	S318-A322 WeakPolarHBondContact O-CA 3.39Å; S318-A322 PolarHBondContact O-N 3.31Å; A322-K344 HydrophobicContact CB-CB 3.92Å; A322-K344 HydrophobicContact CB-CD 4.01Å; A322-Q347 HydrophobicContact CB-CB 3.66Å; A322-I348 HydrophobicContact CB-CG1 4.41Å
323	R	98.2	Very high	97.5	Very high	79 Å²	79	44.6 Å²	44.6	30%	0.298	24%	0.239	S	C	.	.	S	Bend	trans	-144.5	165	176.9	61	163.2	176.5	83.6	-9	110	S318 L321 E330	S318-R323 PolarHBondContact N-O 3.41Å; L321-R323 HydrophobicContact CB-CG 3.79Å; L321-R323 PolarHBondContact O-N 3.17Å; R323-E330 IonicContact CZ-OE1 3.93Å; R323-E330 IonicContact CZ-OE2 3.85Å; R323-E330 IonicContact NH1-OE1 3.86Å; R323-E330 PolarHBondContact NH1-OE1 3.37Å; R323-E330 IonicContact NH1-OE2 2.63Å; R323-E330 PolarHBondContact NH1-OE2 2.99Å; R323-E330 IonicContact NH2-OE1 3.89Å; R323-E330 PolarHBondContact NH2-OE1 3.03Å; R323-E330 IonicContact NH2-OE2 3.76Å
324	P	98.4	Very high	97.6	Very high	35 Å²	35	42.4 Å²	42.4	23%	0.227	22%	0.22	C	C	.	.	B	Isolated β-bridge	trans	-59.1	144.6	171.8	-22.8	35	0	0	0	111.7	K315 V316 Y317 Q326	K315-P324 HydrophobicContact CB-CB 4.05Å; K315-P324 HydrophobicContact CB-CG 3.98Å; K315-P324 HydrophobicContact CD-CG 4.12Å; K315-P324 HydrophobicContact CG-CB 4.26Å; K315-P324 HydrophobicContact CG-CG 4.11Å; V316-P324 CarbonylContact O-C 3.52Å; V316-P324 VanDerWaalsContact O-CA 3.27Å; V316-P324 WeakPolarHBondContact O-CA 3.45Å; Y317-P324 HydrophobicContact CD1-CG 4.11Å; Y317-P324 HydrophobicContact CD2-CG 4.35Å; Y317-P324 VanDerWaalsContact CE1-CD 3.45Å; Y317-P324 HydrophobicContact CE1-CG 3.67Å; Y317-P324 HydrophobicContact CE2-CG 3.94Å; Y317-P324 HydrophobicContact CG-CG 4.42Å; P324-Q326 PolarHBondContact O-N 2.86Å
325	Y	98.3	Very high	97.8	Very high	13 Å²	13	41.8 Å²	41.8	5%	0.051	22%	0.217	C	C	.	.			trans	-59.9	128.1	164.4	-74.4	-66.8	0	0	0	110.1	E175 L179 V316 L321 E330 I331 S334	E175-Y325 VanDerWaalsContact OE1-CE2 3.28Å; E175-Y325 WeakPolarHBondContact OE1-CE2 3.23Å; E175-Y325 VanDerWaalsContact OE1-CZ 3.27Å; E175-Y325 PolarHBondContact OE1-OH 3.21Å; L179-Y325 HydrophobicContact CD2-CD2 3.97Å; L179-Y325 HydrophobicContact CD2-CE2 3.96Å; V316-Y325 HydrophobicContact CB-CD2 4.43Å; V316-Y325 HydrophobicContact CG1-CD2 4.29Å; V316-Y325 WeakPolarHBondContact O-CD2 3.17Å; V316-Y325 PolarHBondContact O-N 3.31Å; L321-Y325 HydrophobicContact CD1-CE1 4.4Å; Y325-E330 HydrophobicContact CD1-CB 3.9Å; Y325-E330 HydrophobicContact CE1-CB 4.36Å; Y325-I331 HydrophobicContact CD1-CB 4.49Å; Y325-I331 HydrophobicContact CD1-CG1 3.7Å; Y325-I331 HydrophobicContact CD2-CG1 4.11Å; Y325-I331 HydrophobicContact CE1-CB 4.31Å; Y325-I331 HydrophobicContact CE1-CG1 3.98Å; Y325-I331 HydrophobicContact CE2-CG1 4.38Å; Y325-I331 HydrophobicContact CG-CG1 3.76Å; Y325-S334 VanDerWaalsContact OH-CB 3.24Å; Y325-S334 WeakPolarHBondContact OH-CB 3.47Å; Y325-S334 PolarHBondContact OH-OG 3.14Å
326	Q	95.4	Very high	97.8	Very high	131 Å²	131	36 Å²	36	61%	0.612	19%	0.191	S	C	*	.			trans	-90.2	-27.7	-179	-69.3	-179.8	-22.8	0	0	112	P324 E330	P324-Q326 PolarHBondContact O-N 2.86Å; Q326-E330 PolarHBondContact N-OE2 2.8Å
327	S	95.8	Very high	97.7	Very high	41 Å²	41	37.3 Å²	37.3	29%	0.287	20%	0.2	S	C	.	.	S	Bend	trans	-148.4	162.4	178.4	76.5	0	0	0	0	111.6	L329 E330	S327-L329 PolarHBondContact O-N 2.88Å; S327-L329 PolarHBondContact OG-N 3.09Å; S327-E330 PolarHBondContact O-N 3.44Å
328	A	97	Very high	97.7	Very high	24 Å²	24	36.7 Å²	36.7	20%	0.198	20%	0.197	C	C	.	.	T	Hydrogen-bonded Turn	trans	-60.5	-27	173.8	0	0	0	0	0	112.9	F309 E330 I331 P332	F309-A328 HydrophobicContact CB-CB 4.3Å; A328-E330 VanDerWaalsContact C-N 3.31Å; A328-E330 PolarHBondContact O-N 3.25Å; A328-I331 PolarHBondContact O-N 3.43Å; A328-P332 WeakPolarHBondContact O-CD 3.39Å
329	L	96	Very high	97.7	Very high	149 Å²	149	36.8 Å²	36.8	78%	0.78	20%	0.198	S	C	*	.	T	Hydrogen-bonded Turn	trans	-70.2	-25.2	-177.2	-61.3	175.2	0	0	0	112.9	S327 I331	S327-L329 PolarHBondContact O-N 2.88Å; S327-L329 PolarHBondContact OG-N 3.09Å; L329-I331 VanDerWaalsContact C-N 3.34Å
330	E	96.5	Very high	97.7	Very high	46 Å²	46	37.2 Å²	37.2	22%	0.215	20%	0.201	C	C	.	.	H	α-helix	trans	-76.6	-23.1	178.7	-63.9	-171.1	136.5	0	0	112.8	R323 Y325 Q326 S327 A328 S334	R323-E330 IonicContact CZ-OE1 3.93Å; R323-E330 IonicContact CZ-OE2 3.85Å; R323-E330 IonicContact NH1-OE1 3.86Å; R323-E330 PolarHBondContact NH1-OE1 3.37Å; R323-E330 IonicContact NH1-OE2 2.63Å; R323-E330 PolarHBondContact NH1-OE2 2.99Å; R323-E330 IonicContact NH2-OE1 3.89Å; R323-E330 PolarHBondContact NH2-OE1 3.03Å; R323-E330 IonicContact NH2-OE2 3.76Å; Y325-E330 HydrophobicContact CD1-CB 3.9Å; Y325-E330 HydrophobicContact CE1-CB 4.36Å; Q326-E330 PolarHBondContact N-OE2 2.8Å; S327-E330 PolarHBondContact O-N 3.44Å; A328-E330 VanDerWaalsContact C-N 3.31Å; A328-E330 PolarHBondContact O-N 3.25Å; E330-S334 VanDerWaalsContact O-CB 3.23Å; E330-S334 WeakPolarHBondContact O-CB 3.29Å; E330-S334 PolarHBondContact O-N 2.85Å; E330-S334 VanDerWaalsContact O-N 3.15Å
331	I	98.2	Very high	97.7	Very high	0 Å²	0	41.5 Å²	41.5	0%	0	22%	0.218	C	C	.	.	H	α-helix	trans	-66.9	-52.3	-167.8	-57.9	168.9	0	0	0	111.8	L179 A184 F309 P312 Y325 A328 L329 D333 S334 L335	L179-I331 HydrophobicContact CD1-CG2 3.68Å; L179-I331 HydrophobicContact CD2-CD1 3.93Å; L179-I331 HydrophobicContact CD2-CG1 4.3Å; L179-I331 HydrophobicContact CD2-CG2 3.97Å; A184-I331 HydrophobicContact CB-CD1 4.04Å; F309-I331 HydrophobicContact CB-CD1 4.46Å; F309-I331 HydrophobicContact CD1-CB 4.09Å; F309-I331 HydrophobicContact CD1-CD1 4.32Å; F309-I331 HydrophobicContact CD1-CG2 3.55Å; F309-I331 HydrophobicContact CE1-CB 4.5Å; F309-I331 HydrophobicContact CE1-CG2 3.58Å; F309-I331 HydrophobicContact CG-CB 4.44Å; F309-I331 HydrophobicContact CG-CG2 4.33Å; F309-I331 HydrophobicContact CZ-CG2 4.39Å; P312-I331 HydrophobicContact CG-CD1 4.34Å; Y325-I331 HydrophobicContact CD1-CB 4.49Å; Y325-I331 HydrophobicContact CD1-CG1 3.7Å; Y325-I331 HydrophobicContact CD2-CG1 4.11Å; Y325-I331 HydrophobicContact CE1-CB 4.31Å; Y325-I331 HydrophobicContact CE1-CG1 3.98Å; Y325-I331 HydrophobicContact CE2-CG1 4.38Å; Y325-I331 HydrophobicContact CG-CG1 3.76Å; A328-I331 PolarHBondContact O-N 3.43Å; L329-I331 VanDerWaalsContact C-N 3.34Å; I331-D333 PolarHBondContact O-N 3.12Å; I331-S334 PolarHBondContact O-N 3.33Å; I331-L335 HydrophobicContact CG2-CD1 3.7Å; I331-L335 HydrophobicContact CG2-CG 4.05Å; I331-L335 WeakPolarHBondContact O-CB 3.24Å; I331-L335 WeakPolarHBondContact O-CG 3.25Å; I331-L335 PolarHBondContact O-N 3.2Å
332	P	98.1	Very high	97.7	Very high	28 Å²	28	40.5 Å²	40.5	18%	0.182	21%	0.212	C	C	.	.	H	α-helix	trans	-59.5	-43.9	-177.7	-24.6	35	0	0	0	113	L304 F309 A328 A336	L304-P332 HydrophobicContact CB-CB 4.19Å; L304-P332 WeakPolarHBondContact CD1-O 3.32Å; F309-P332 HydrophobicContact CD2-CG 3.68Å; F309-P332 HydrophobicContact CE2-CB 4.47Å; F309-P332 HydrophobicContact CE2-CG 3.83Å; F309-P332 HydrophobicContact CG-CG 4.39Å; A328-P332 WeakPolarHBondContact O-CD 3.39Å; P332-A336 VanDerWaalsContact O-CB 3.26Å; P332-A336 WeakPolarHBondContact O-CB 3.27Å; P332-A336 PolarHBondContact O-N 3.26Å
333	D	96.8	Very high	97.7	Very high	93 Å²	93	39.6 Å²	39.6	50%	0.497	21%	0.205	S	C	.	.	H	α-helix	trans	-67.7	-41.7	-177.9	-78.9	-20.1	0	0	0	112.2	R301 I331 V337	R301-D333 IonicContact CZ-OD1 3.79Å; R301-D333 IonicContact NH1-OD1 3.74Å; R301-D333 PolarHBondContact NH1-OD1 3.4Å; I331-D333 PolarHBondContact O-N 3.12Å; D333-V337 WeakPolarHBondContact O-CG2 3.46Å; D333-V337 PolarHBondContact O-N 3.47Å
334	S	98.1	Very high	97.7	Very high	7 Å²	7	39.2 Å²	39.2	5%	0.049	21%	0.205	C	C	.	.	H	α-helix	trans	-63.7	-49.2	175.9	174.9	0	0	0	0	111.3	S318 Y325 E330 I331 A336 V337 Q338	S318-S334 PolarHBondContact OG-OG 3.24Å; Y325-S334 VanDerWaalsContact OH-CB 3.24Å; Y325-S334 WeakPolarHBondContact OH-CB 3.47Å; Y325-S334 PolarHBondContact OH-OG 3.14Å; E330-S334 VanDerWaalsContact O-CB 3.23Å; E330-S334 WeakPolarHBondContact O-CB 3.29Å; E330-S334 PolarHBondContact O-N 2.85Å; E330-S334 VanDerWaalsContact O-N 3.15Å; I331-S334 PolarHBondContact O-N 3.33Å; S334-A336 VanDerWaalsContact C-N 3.34Å; S334-A336 PolarHBondContact O-N 3.28Å; S334-V337 WeakPolarHBondContact O-CG2 3.32Å; S334-V337 PolarHBondContact O-N 3.24Å; S334-Q338 WeakPolarHBondContact O-CB 3.3Å; S334-Q338 PolarHBondContact O-N 3.36Å
335	L	98.6	Very high	97.8	Very high	0 Å²	0	37.5 Å²	37.5	0%	0	19%	0.194	C	C	.	.	H	α-helix	trans	-62.9	-38.1	178.2	-72.7	-178.5	0	0	0	112.9	E175 Y176 L179 L300 L304 F309 I331 Q338	E175-L335 HydrophobicContact CG-CD2 4.12Å; Y176-L335 HydrophobicContact CE1-CD1 4.04Å; Y176-L335 HydrophobicContact CE2-CD2 4.07Å; L179-L335 HydrophobicContact CD1-CD1 3.66Å; L179-L335 HydrophobicContact CD1-CD2 3.94Å; L179-L335 HydrophobicContact CD1-CG 4.13Å; L300-L335 WeakPolarHBondContact CD2-O 3.4Å; L304-L335 HydrophobicContact CD1-CB 3.73Å; L304-L335 HydrophobicContact CD2-CB 4.19Å; L304-L335 HydrophobicContact CD2-CD1 3.83Å; F309-L335 HydrophobicContact CE1-CD1 4.1Å; F309-L335 HydrophobicContact CZ-CD1 4.24Å; I331-L335 HydrophobicContact CG2-CD1 3.7Å; I331-L335 HydrophobicContact CG2-CG 4.05Å; I331-L335 WeakPolarHBondContact O-CB 3.24Å; I331-L335 WeakPolarHBondContact O-CG 3.25Å; I331-L335 PolarHBondContact O-N 3.2Å; L335-Q338 WeakPolarHBondContact O-CB 3.45Å; L335-Q338 PolarHBondContact O-N 2.92Å
336	A	98.3	Very high	97.8	Very high	0 Å²	0	37.9 Å²	37.9	0%	0	20%	0.196	C	C	.	.	H	α-helix	trans	-60.6	-46.9	178.8	0	0	0	0	0	111.5	S297 R301 L304 P332 S334	S297-A336 WeakPolarHBondContact CA-O 3.29Å; S297-A336 VanDerWaalsContact CB-O 3.31Å; S297-A336 WeakPolarHBondContact CB-O 3.44Å; S297-A336 PolarHBondContact OG-O 3.47Å; R301-A336 HydrophobicContact CB-CB 3.89Å; R301-A336 HydrophobicContact CG-CB 4.37Å; L304-A336 HydrophobicContact CD1-CB 3.87Å; P332-A336 VanDerWaalsContact O-CB 3.26Å; P332-A336 WeakPolarHBondContact O-CB 3.27Å; P332-A336 PolarHBondContact O-N 3.26Å; S334-A336 VanDerWaalsContact C-N 3.34Å; S334-A336 PolarHBondContact O-N 3.28Å
337	V	98.2	Very high	97.9	Very high	28 Å²	28	34.7 Å²	34.7	17%	0.17	18%	0.181	C	C	.	.	H	α-helix	trans	-83.2	-14.3	-180	-55.2	0	0	0	0	113.4	V320 D333 S334 V339 S340 K341	V320-V337 HydrophobicContact CG1-CG2 4.17Å; V320-V337 HydrophobicContact CG2-CG2 4.3Å; D333-V337 WeakPolarHBondContact O-CG2 3.46Å; D333-V337 PolarHBondContact O-N 3.47Å; S334-V337 WeakPolarHBondContact O-CG2 3.32Å; S334-V337 PolarHBondContact O-N 3.24Å; V337-V339 PolarHBondContact O-N 3.38Å; V337-S340 CarbonylContact O-C 3.51Å; V337-S340 PolarHBondContact O-N 2.95Å; V337-K341 HydrophobicContact CB-CD 4.11Å; V337-K341 HydrophobicContact CB-CG 4.33Å; V337-K341 HydrophobicContact CG2-CD 3.85Å; V337-K341 HydrophobicContact CG2-CG 4.46Å; V337-K341 WeakPolarHBondContact O-CB 3.3Å; V337-K341 WeakPolarHBondContact O-CG 3.43Å; V337-K341 PolarHBondContact O-N 3.2Å
338	Q	98.6	Very high	98	Very high	0 Å²	0	32.8 Å²	32.8	0%	0	17%	0.168	C	C	.	.	H	α-helix	trans	-54.5	-36.7	-179.1	-170.3	-131.4	54.2	0	0	112.6	S172 E175 H289 N319 V320 S334 L335 S340 K341	S172-Q338 PolarHBondContact O-NE2 2.79Å; E175-Q338 PolarHBondContact OE2-NE2 2.7Å; H289-Q338 PolarHBondContact ND1-O 2.85Å; N319-Q338 HydrophobicContact CB-CG 4.11Å; N319-Q338 PolarHBondContact ND2-NE2 2.65Å; V320-Q338 HydrophobicContact CG2-CB 3.87Å; V320-Q338 HydrophobicContact CG2-CG 4.09Å; S334-Q338 WeakPolarHBondContact O-CB 3.3Å; S334-Q338 PolarHBondContact O-N 3.36Å; L335-Q338 WeakPolarHBondContact O-CB 3.45Å; L335-Q338 PolarHBondContact O-N 2.92Å; Q338-S340 VanDerWaalsContact C-N 3.25Å; Q338-S340 PolarHBondContact O-N 2.81Å; Q338-K341 VanDerWaalsContact O-O 3.08Å
339	V	98.1	Very high	98.1	Very high	1 Å²	1	31.6 Å²	31.6	1%	0.006	16%	0.158	C	C	.	.	T	Hydrogen-bonded Turn	trans	-68.8	-22.6	180	-61.7	0	0	0	0	113.3	R197 M201 H289 M293 A296 L300 V337	R197-V339 HydrophobicContact CG-CG1 4.08Å; M201-V339 HydrophobicContact CG-CB 4.44Å; M201-V339 HydrophobicContact CG-CG1 4.25Å; M201-V339 HydrophobicContact SD-CB 4.33Å; M201-V339 HydrophobicContact SD-CG1 3.81Å; H289-V339 WeakPolarHBondContact CA-O 3.08Å; H289-V339 PolarHBondContact N-O 3.03Å; M293-V339 HydrophobicContact CB-CB 4.36Å; M293-V339 HydrophobicContact CB-CG2 4.34Å; M293-V339 WeakPolarHBondContact CB-O 3.23Å; M293-V339 VanDerWaalsContact CG-O 3.29Å; M293-V339 WeakPolarHBondContact CG-O 3.36Å; A296-V339 HydrophobicContact CB-CG2 4.31Å; L300-V339 HydrophobicContact CD2-CG1 3.97Å; V337-V339 PolarHBondContact O-N 3.38Å
340	S	98.2	Very high	98.2	Very high	10 Å²	10	29 Å²	29	7%	0.07	14%	0.142	C	C	.	.	T	Hydrogen-bonded Turn	trans	-113.5	4.5	-180	68.5	0	0	0	0	115	T290 D294 V337 Q338	T290-S340 CarbonylContact C-O 3.59Å; T290-S340 VanDerWaalsContact C-O 3.27Å; T290-S340 VanDerWaalsContact O-CA 3.23Å; T290-S340 WeakPolarHBondContact O-CA 3.36Å; T290-S340 VanDerWaalsContact O-CB 3.25Å; T290-S340 WeakPolarHBondContact O-CB 3.4Å; D294-S340 WeakPolarHBondContact OD1-CB 3.03Å; D294-S340 PolarHBondContact OD1-OG 3.35Å; V337-S340 CarbonylContact O-C 3.51Å; V337-S340 PolarHBondContact O-N 2.95Å; Q338-S340 VanDerWaalsContact C-N 3.25Å; Q338-S340 PolarHBondContact O-N 2.81Å
341	K	98.3	Very high	98.2	Very high	102 Å²	102	28.9 Å²	28.9	44%	0.443	15%	0.149	S	C	.	.	S	Bend	trans	-119.2	155.1	176	-68.7	-166.9	178.4	-174.5	0	111.7	H289 V320 V337 Q338	H289-K341 VanDerWaalsContact CB-O 3.23Å; H289-K341 WeakPolarHBondContact CB-O 3.36Å; H289-K341 PolarHBondContact ND1-O 3.43Å; H289-K341 CarbonylContact O-C 3.48Å; V320-K341 HydrophobicContact CG1-CB 4.44Å; V320-K341 HydrophobicContact CG1-CD 3.77Å; V320-K341 HydrophobicContact CG2-CB 4.25Å; V337-K341 HydrophobicContact CB-CD 4.11Å; V337-K341 HydrophobicContact CB-CG 4.33Å; V337-K341 HydrophobicContact CG2-CD 3.85Å; V337-K341 HydrophobicContact CG2-CG 4.46Å; V337-K341 WeakPolarHBondContact O-CB 3.3Å; V337-K341 WeakPolarHBondContact O-CG 3.43Å; V337-K341 PolarHBondContact O-N 3.2Å; Q338-K341 VanDerWaalsContact O-O 3.08Å
342	E	98.5	Very high	98.2	Very high	45 Å²	45	29.9 Å²	29.9	21%	0.21	15%	0.154	C	C	.	.			trans	-50	135	176.6	-178.3	-173.1	176.8	0	0	112.6	V246 A247 S249 K344	V246-E342 HydrophobicContact CG1-CG 3.92Å; V246-E342 WeakPolarHBondContact CG1-OE1 3.42Å; A247-E342 WeakPolarHBondContact O-CA 3.3Å; S249-E342 WeakPolarHBondContact CB-OE1 3.49Å; S249-E342 PolarHBondContact N-OE1 2.9Å; S249-E342 PolarHBondContact OG-OE1 2.98Å; E342-K344 HydrophobicContact CG-CG 4.25Å; E342-K344 PolarHBondContact O-N 3.44Å
343	V	98.7	Very high	98.1	Very high	0 Å²	0	28.8 Å²	28.8	0%	0	15%	0.146	C	C	.	.	B	Isolated β-bridge	trans	-80.7	102.2	164.7	169.6	0	0	0	0	109.6	Y171 A247 S248 S249 H289 N319 W345	Y171-V343 HydrophobicContact CD2-CG1 3.74Å; Y171-V343 HydrophobicContact CE2-CG1 3.5Å; Y171-V343 HydrophobicContact CG-CG1 4.42Å; A247-V343 PolarHBondContact O-N 3.37Å; S248-V343 VanDerWaalsContact CA-O 3.31Å; S248-V343 WeakPolarHBondContact CA-O 3.46Å; S248-V343 PolarHBondContact OG-O 2.82Å; S249-V343 PolarHBondContact N-O 2.85Å; H289-V343 HydrophobicContact CB-CG2 4.47Å; H289-V343 VanDerWaalsContact CE1-CG2 3.41Å; H289-V343 WeakPolarHBondContact CE1-CG2 3.47Å; H289-V343 WeakPolarHBondContact ND1-CG2 3.29Å; N319-V343 HydrophobicContact CB-CG1 4.31Å; N319-V343 HydrophobicContact CB-CG2 4.26Å; N319-V343 VanDerWaalsContact OD1-CG1 3.22Å; N319-V343 WeakPolarHBondContact OD1-CG1 3.36Å; V343-W345 HydrophobicContact CG1-CB 4.1Å; V343-W345 PolarHBondContact O-N 3.4Å
344	K	98.7	Very high	98	Very high	70 Å²	70	30.8 Å²	30.8	30%	0.304	16%	0.157	S	C	.	.			trans	-81.3	56.8	-178.1	-64.4	-178.5	-178.8	167.9	0	112.6	N319 V320 A322 E342 Q347 I348	N319-K344 WeakPolarHBondContact O-CB 3.49Å; N319-K344 PolarHBondContact O-N 3.27Å; V320-K344 WeakPolarHBondContact O-CD 3.16Å; V320-K344 WeakPolarHBondContact O-CE 3.32Å; V320-K344 PolarHBondContact O-NZ 3.44Å; V320-K344 VanDerWaalsContact O-NZ 3.07Å; A322-K344 HydrophobicContact CB-CB 3.92Å; A322-K344 HydrophobicContact CB-CD 4.01Å; E342-K344 HydrophobicContact CG-CG 4.25Å; E342-K344 PolarHBondContact O-N 3.44Å; K344-Q347 HydrophobicContact CB-CB 4.19Å; K344-Q347 HydrophobicContact CB-CG 4.37Å; K344-Q347 VanDerWaalsContact CB-OE1 3.32Å; K344-Q347 PolarHBondContact O-N 2.83Å; K344-Q347 PolarHBondContact O-OE1 2.93Å; K344-I348 WeakPolarHBondContact O-CG1 3.49Å; K344-I348 PolarHBondContact O-N 3.33Å
345	W	98.7	Very high	97.7	Very high	0 Å²	0	32.6 Å²	32.6	0%	0	16%	0.163	C	C	.	.	H	α-helix	trans	-67.3	-43.8	-171.7	-169.5	-112.5	0	0	0	113	L85 A169 Y171 S249 V343 Q347 I348 L349 L374	L85-W345 HydrophobicContact CD1-CZ2 4.44Å; L85-W345 HydrophobicContact CD2-CH2 4.16Å; L85-W345 HydrophobicContact CD2-CZ2 4.32Å; A169-W345 HydrophobicContact CB-CH2 3.95Å; A169-W345 HydrophobicContact CB-CZ3 3.96Å; Y171-W345 HydrophobicContact CD2-CB 3.93Å; Y171-W345 AromaticContact CD2-CD2 3.66Å; Y171-W345 HydrophobicContact CD2-CD2 3.66Å; Y171-W345 AromaticContact CD2-CE3 3.86Å; Y171-W345 HydrophobicContact CD2-CE3 3.86Å; Y171-W345 AromaticContact CD2-CG 3.67Å; Y171-W345 HydrophobicContact CD2-CG 3.67Å; Y171-W345 HydrophobicContact CE2-CB 3.92Å; Y171-W345 HydrophobicContact CE2-CD2 4.5Å; Y171-W345 HydrophobicContact CE2-CG 4.06Å; Y171-W345 HydrophobicContact CG-CE3 4.49Å; S249-W345 WeakPolarHBondContact O-CB 2.99Å; S249-W345 PolarHBondContact O-N 3.48Å; V343-W345 HydrophobicContact CG1-CB 4.1Å; V343-W345 PolarHBondContact O-N 3.4Å; W345-Q347 VanDerWaalsContact C-N 3.28Å; W345-Q347 PolarHBondContact O-N 2.8Å; W345-I348 HydrophobicContact CE3-CD1 4Å; W345-I348 HydrophobicContact CZ3-CD1 4.38Å; W345-I348 WeakPolarHBondContact O-CB 3.22Å; W345-I348 PolarHBondContact O-N 3.38Å; W345-L349 HydrophobicContact CZ2-CD2 4.19Å; W345-L349 WeakPolarHBondContact O-CG 3.36Å; W345-L349 PolarHBondContact O-N 3.19Å; W345-L374 HydrophobicContact CH2-CD1 4.02Å; W345-L374 HydrophobicContact CH2-CD2 4.49Å; W345-L374 HydrophobicContact CZ2-CB 4.18Å; W345-L374 HydrophobicContact CZ2-CD1 3.73Å; W345-L374 HydrophobicContact CZ2-CD2 3.74Å; W345-L374 HydrophobicContact CZ2-CG 4.1Å
346	E	98.3	Very high	97.3	Very high	20 Å²	20	36.4 Å²	36.4	9%	0.093	19%	0.187	C	C	.	.	H	α-helix	trans	-53.4	-47.6	173.5	175	176.3	-162.2	0	0	111.3	S249 Y251 S252 I348 L349 H350	S249-E346 PolarHBondContact O-N 3.07Å; Y251-E346 VanDerWaalsContact C-CD 3.46Å; S252-E346 WeakPolarHBondContact CA-OE1 3.4Å; S252-E346 VanDerWaalsContact CB-OE1 3.29Å; S252-E346 WeakPolarHBondContact CB-OE1 3.42Å; S252-E346 PolarHBondContact N-OE1 3.44Å; S252-E346 PolarHBondContact OG-OE1 3.08Å; E346-I348 VanDerWaalsContact C-N 3.35Å; E346-I348 PolarHBondContact O-N 3.04Å; E346-L349 PolarHBondContact O-N 3.11Å; E346-H350 PolarHBondContact O-CD2 3.02Å; E346-H350 PolarHBondContact O-N 3.08Å; E346-H350 IonicContact OE1-NE2 2.72Å
347	Q	98.4	Very high	96.6	Very high	65 Å²	65	45.9 Å²	45.9	30%	0.304	23%	0.232	S	C	.	.	H	α-helix	trans	-66.5	-37.4	-179.1	-61	85.9	-17.1	0	0	111.6	A322 K344 W345 H350 A351	A322-Q347 HydrophobicContact CB-CB 3.66Å; K344-Q347 HydrophobicContact CB-CB 4.19Å; K344-Q347 HydrophobicContact CB-CG 4.37Å; K344-Q347 VanDerWaalsContact CB-OE1 3.32Å; K344-Q347 PolarHBondContact O-N 2.83Å; K344-Q347 PolarHBondContact O-OE1 2.93Å; W345-Q347 VanDerWaalsContact C-N 3.28Å; W345-Q347 PolarHBondContact O-N 2.8Å; Q347-H350 PolarHBondContact O-N 3.36Å; Q347-A351 WeakPolarHBondContact O-CB 3.19Å; Q347-A351 PolarHBondContact O-N 3.13Å
348	I	98.7	Very high	96.1	Very high	0 Å²	0	49.7 Å²	49.7	0%	0	26%	0.26	C	S	.	.	H	α-helix	trans	-61.5	-47.7	172.4	-70.8	163.6	0	0	0	110.7	A169 Y317 A322 K344 W345 E346 H350 A351 I352	A169-I348 HydrophobicContact CB-CG2 3.71Å; Y317-I348 HydrophobicContact CD1-CG2 4.23Å; Y317-I348 HydrophobicContact CG-CG2 4.06Å; A322-I348 HydrophobicContact CB-CG1 4.41Å; K344-I348 WeakPolarHBondContact O-CG1 3.49Å; K344-I348 PolarHBondContact O-N 3.33Å; W345-I348 HydrophobicContact CE3-CD1 4Å; W345-I348 HydrophobicContact CZ3-CD1 4.38Å; W345-I348 WeakPolarHBondContact O-CB 3.22Å; W345-I348 PolarHBondContact O-N 3.38Å; E346-I348 VanDerWaalsContact C-N 3.35Å; E346-I348 PolarHBondContact O-N 3.04Å; I348-H350 VanDerWaalsContact C-N 3.33Å; I348-H350 PolarHBondContact O-N 3.02Å; I348-A351 PolarHBondContact O-N 2.65Å; I348-A351 VanDerWaalsContact O-N 3.13Å; I348-I352 HydrophobicContact CG2-CD1 3.59Å; I348-I352 HydrophobicContact CG2-CG1 4.24Å; I348-I352 WeakPolarHBondContact O-CG1 3.22Å; I348-I352 PolarHBondContact O-N 3.01Å
349	L	98.5	Very high	95.5	Very high	0 Å²	0	54 Å²	54	0%	0	28%	0.28	C	S	.	.	H	α-helix	trans	-61.8	-42.1	178.8	-66.4	177.5	0	0	0	111	L85 W345 E346 A351 I352 Y353 L378 V381	L85-L349 HydrophobicContact CD1-CD2 4.39Å; W345-L349 HydrophobicContact CZ2-CD2 4.19Å; W345-L349 WeakPolarHBondContact O-CG 3.36Å; W345-L349 PolarHBondContact O-N 3.19Å; E346-L349 PolarHBondContact O-N 3.11Å; L349-A351 PolarHBondContact O-N 3.06Å; L349-I352 PolarHBondContact O-N 2.94Å; L349-Y353 HydrophobicContact CB-CD2 4.47Å; L349-Y353 HydrophobicContact CD2-CD2 4.49Å; L349-Y353 HydrophobicContact CD2-CE2 3.9Å; L349-Y353 WeakPolarHBondContact O-CD2 3.32Å; L349-Y353 PolarHBondContact O-N 3.08Å; L349-L378 HydrophobicContact CD2-CD1 4.36Å; L349-V381 HydrophobicContact CB-CB 4.34Å; L349-V381 HydrophobicContact CB-CG1 3.89Å; L349-V381 HydrophobicContact CB-CG2 4.41Å; L349-V381 HydrophobicContact CD1-CB 4.14Å; L349-V381 HydrophobicContact CD1-CG2 3.73Å
350	H	97.6	Very high	94.8	Very high	93 Å²	93	62 Å²	62	43%	0.431	32%	0.317	S	S	.	.	H	α-helix	trans	-58	-47.8	171.3	-79.4	-64.1	0	0	0	111.9	E346 Q347 I348 I352 Y353 D354	E346-H350 PolarHBondContact O-CD2 3.02Å; E346-H350 PolarHBondContact O-N 3.08Å; E346-H350 IonicContact OE1-NE2 2.72Å; Q347-H350 PolarHBondContact O-N 3.36Å; I348-H350 VanDerWaalsContact C-N 3.33Å; I348-H350 PolarHBondContact O-N 3.02Å; H350-I352 VanDerWaalsContact C-N 3.32Å; H350-I352 PolarHBondContact O-N 3Å; H350-Y353 PolarHBondContact O-N 2.95Å; H350-D354 WeakPolarHBondContact O-CB 3.5Å; H350-D354 PolarHBondContact O-N 2.88Å
351	A	97.4	Very high	94.4	Very high	44 Å²	44	67.9 Å²	67.9	36%	0.364	35%	0.348	S	S	.	.	H	α-helix	trans	-66	-31.3	-178.5	0	0	0	0	0	113.6	Y317 Q347 I348 L349	Y317-A351 HydrophobicContact CD1-CB 4.29Å; Y317-A351 HydrophobicContact CE1-CB 3.66Å; Y317-A351 PolarHBondContact OH-O 3.13Å; Q347-A351 WeakPolarHBondContact O-CB 3.19Å; Q347-A351 PolarHBondContact O-N 3.13Å; I348-A351 PolarHBondContact O-N 2.65Å; I348-A351 VanDerWaalsContact O-N 3.13Å; L349-A351 PolarHBondContact O-N 3.06Å
352	I	97.5	Very high	94.2	Very high	21 Å²	21	64 Å²	64	11%	0.108	33%	0.331	C	S	.	.	H	α-helix	trans	-73.7	-43.2	177	-71.7	171.3	0	0	0	111.8	V83 L85 A169 Y317 I348 L349 H350	V83-I352 HydrophobicContact CB-CG2 4.48Å; V83-I352 HydrophobicContact CG1-CD1 4.43Å; V83-I352 HydrophobicContact CG1-CG2 3.92Å; V83-I352 HydrophobicContact CG2-CG2 3.79Å; L85-I352 HydrophobicContact CD2-CD1 4.34Å; A169-I352 HydrophobicContact CB-CD1 3.78Å; Y317-I352 HydrophobicContact CD1-CG1 4.28Å; Y317-I352 HydrophobicContact CD2-CD1 4Å; Y317-I352 HydrophobicContact CD2-CG1 3.78Å; Y317-I352 HydrophobicContact CE1-CG1 4Å; Y317-I352 HydrophobicContact CE2-CD1 4.16Å; Y317-I352 HydrophobicContact CE2-CG1 3.46Å; Y317-I352 VanDerWaalsContact CE2-CG1 3.46Å; Y317-I352 HydrophobicContact CG-CD1 4.36Å; Y317-I352 HydrophobicContact CG-CG1 4.19Å; I348-I352 HydrophobicContact CG2-CD1 3.59Å; I348-I352 HydrophobicContact CG2-CG1 4.24Å; I348-I352 WeakPolarHBondContact O-CG1 3.22Å; I348-I352 PolarHBondContact O-N 3.01Å; L349-I352 PolarHBondContact O-N 2.94Å; H350-I352 VanDerWaalsContact C-N 3.32Å; H350-I352 PolarHBondContact O-N 3Å
353	Y	96.8	Very high	94.1	Very high	5 Å²	5	62.3 Å²	62.3	2%	0.02	32%	0.324	C	S	.	.	H	α-helix	trans	-103.6	1.9	-170.2	-60.9	-71.7	0	0	0	114.2	L349 H350 F362 P363 T365 L378 A385	L349-Y353 HydrophobicContact CB-CD2 4.47Å; L349-Y353 HydrophobicContact CD2-CD2 4.49Å; L349-Y353 HydrophobicContact CD2-CE2 3.9Å; L349-Y353 WeakPolarHBondContact O-CD2 3.32Å; L349-Y353 PolarHBondContact O-N 3.08Å; H350-Y353 PolarHBondContact O-N 2.95Å; Y353-F362 HydrophobicContact CD1-CD1 4.15Å; Y353-P363 HydrophobicContact CD1-CG 4.09Å; Y353-P363 HydrophobicContact CE1-CG 3.9Å; Y353-T365 WeakPolarHBondContact CE1-OG1 3.42Å; Y353-T365 WeakPolarHBondContact OH-CB 3.47Å; Y353-T365 WeakPolarHBondContact OH-CG2 3.36Å; Y353-T365 PolarHBondContact OH-OG1 3.47Å; Y353-L378 HydrophobicContact CD2-CD1 3.65Å; Y353-L378 HydrophobicContact CE2-CD1 3.3Å; Y353-L378 HydrophobicContact CE2-CD2 4.24Å; Y353-L378 HydrophobicContact CE2-CG 4.4Å; Y353-L378 HydrophobicContact CG-CD1 4.48Å; Y353-A385 HydrophobicContact CD1-CB 3.43Å; Y353-A385 VanDerWaalsContact CD1-CB 3.43Å; Y353-A385 HydrophobicContact CD2-CB 4.28Å; Y353-A385 HydrophobicContact CE1-CB 3.69Å; Y353-A385 HydrophobicContact CG-CB 3.74Å
354	D	93.9	Very high	94	Very high	135 Å²	135	66.2 Å²	66.2	72%	0.722	34%	0.341	S	S	*	.			trans	-63.8	130.9	168.7	-175.6	43.5	0	0	0	110.2	H350	H350-D354 WeakPolarHBondContact O-CB 3.5Å; H350-D354 PolarHBondContact O-N 2.88Å
355	R	91.8	Very high	94	Very high	45 Å²	45	62.9 Å²	62.9	17%	0.17	33%	0.327	C	S	.	.			trans	-162	156.8	-178.5	68.5	-143.9	-38.7	-112.3	10.5	112.3	E359 N361 F362	R355-E359 HydrophobicContact CG-CB 4.5Å; R355-E359 VanDerWaalsContact CZ-CD 3.43Å; R355-E359 IonicContact CZ-OE1 2.7Å; R355-E359 VanDerWaalsContact CZ-OE1 3.31Å; R355-E359 IonicContact CZ-OE2 2.89Å; R355-E359 PolarHBondContact NH1-O 3.29Å; R355-E359 IonicContact NH1-OE1 3.03Å; R355-E359 IonicContact NH2-OE1 2.65Å; R355-E359 PolarHBondContact NH2-OE1 2.97Å; R355-E359 IonicContact NH2-OE2 3.47Å; R355-N361 PolarHBondContact NH1-O 3.5Å; R355-N361 PolarHBondContact NH2-O 3.08Å; R355-F362 VanDerWaalsContact CD-CE1 3.42Å; R355-F362 HydrophobicContact CG-CZ 4.49Å
356	P	89.9	Confident	93.9	Very high	80 Å²	80	63.6 Å²	63.6	52%	0.519	33%	0.329	S	S	.	.			trans	-56.5	146	175.3	-23.2	34.4	0	0	0	111.5	S358 E359	P356-S358 PolarHBondContact O-N 3.49Å; P356-E359 PolarHBondContact O-N 3.02Å
357	Q	84.8	Confident	93.9	Very high	199 Å²	199	62.6 Å²	62.6	93%	0.93	33%	0.325	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.7	-21.9	176.8	-68.1	-175.7	-8.1	0	0	113.2	E359	Q357-E359 VanDerWaalsContact C-N 3.26Å; Q357-E359 PolarHBondContact O-N 3.09Å
358	S	87.5	Confident	93.9	Very high	109 Å²	109	59.5 Å²	59.5	76%	0.762	31%	0.31	S	S	*	.	T	Hydrogen-bonded Turn	trans	-72.8	-13.9	175.1	57.8	0	0	0	0	114.1	P356	P356-S358 PolarHBondContact O-N 3.49Å
359	E	85.9	Confident	93.8	Very high	89 Å²	89	59.5 Å²	59.5	42%	0.416	31%	0.31	S	S	.	.			trans	-101.3	87.4	-178.6	-162	-175.3	163.4	0	0	110.6	R355 P356 Q357 N361	R355-E359 HydrophobicContact CG-CB 4.5Å; R355-E359 VanDerWaalsContact CZ-CD 3.43Å; R355-E359 IonicContact CZ-OE1 2.7Å; R355-E359 VanDerWaalsContact CZ-OE1 3.31Å; R355-E359 IonicContact CZ-OE2 2.89Å; R355-E359 PolarHBondContact NH1-O 3.29Å; R355-E359 IonicContact NH1-OE1 3.03Å; R355-E359 IonicContact NH2-OE1 2.65Å; R355-E359 PolarHBondContact NH2-OE1 2.97Å; R355-E359 IonicContact NH2-OE2 3.47Å; P356-E359 PolarHBondContact O-N 3.02Å; Q357-E359 VanDerWaalsContact C-N 3.26Å; Q357-E359 PolarHBondContact O-N 3.09Å; E359-N361 PolarHBondContact O-N 3.3Å
360	E	83.2	Confident	93.7	Very high	169 Å²	169	59.5 Å²	59.5	79%	0.79	31%	0.31	S	S	*	.			trans	-70.7	-29.6	-176.8	-62.2	-172.4	167.2	0	0	113.2	F362	E360-F362 WeakPolarHBondContact O-CD2 3.48Å; E360-F362 PolarHBondContact O-N 2.9Å
361	N	89.8	Confident	93.4	Very high	134 Å²	134	55.6 Å²	55.6	72%	0.717	30%	0.295	S	S	*	.			trans	-86.2	96.6	-169.5	-71.7	-32.6	0	0	0	113.3	R355 E359	R355-N361 PolarHBondContact NH1-O 3.5Å; R355-N361 PolarHBondContact NH2-O 3.08Å; E359-N361 PolarHBondContact O-N 3.3Å
362	F	94.4	Very high	93.3	Very high	21 Å²	21	56.2 Å²	56.2	9%	0.092	29%	0.292	C	S	.	.	P	Polyproline II helix	trans	-66.5	149.2	176.9	-76.8	-95.7	0	0	0	112	Y353 R355 E360 N382 K384 A385 N388	Y353-F362 HydrophobicContact CD1-CD1 4.15Å; R355-F362 VanDerWaalsContact CD-CE1 3.42Å; R355-F362 HydrophobicContact CG-CZ 4.49Å; E360-F362 WeakPolarHBondContact O-CD2 3.48Å; E360-F362 PolarHBondContact O-N 2.9Å; F362-N382 WeakPolarHBondContact CE1-ND2 3.45Å; F362-K384 HydrophobicContact CD2-CB 3.77Å; F362-K384 HydrophobicContact CE2-CB 3.35Å; F362-K384 HydrophobicContact CE2-CD 3.86Å; F362-K384 HydrophobicContact CE2-CG 4.26Å; F362-K384 HydrophobicContact CZ-CB 3.79Å; F362-K384 HydrophobicContact CZ-CD 4.31Å; F362-A385 HydrophobicContact CD1-CB 3.57Å; F362-A385 HydrophobicContact CE1-CB 4.06Å; F362-A385 HydrophobicContact CG-CB 4.2Å; F362-N388 PolarHBondContact O-ND2 2.87Å
363	P	95.1	Very high	93.1	Very high	10 Å²	10	59.1 Å²	59.1	7%	0.065	31%	0.305	C	S	.	.	P	Polyproline II helix	trans	-62	149.7	176	28.6	-36.2	0	0	0	111.4	V81 V83 Y353 T365	V81-P363 HydrophobicContact CG2-CB 4.01Å; V81-P363 CarbonylContact O-C 3.35Å; V81-P363 WeakPolarHBondContact O-CA 3.3Å; V81-P363 VanDerWaalsContact O-CB 3.27Å; V81-P363 WeakPolarHBondContact O-CB 3.19Å; V83-P363 HydrophobicContact CG2-CB 3.94Å; V83-P363 HydrophobicContact CG2-CG 3.72Å; Y353-P363 HydrophobicContact CD1-CG 4.09Å; Y353-P363 HydrophobicContact CE1-CG 3.9Å; P363-T365 PolarHBondContact O-N 2.93Å
364	K	96.9	Very high	93.2	Very high	82 Å²	82	59 Å²	59	36%	0.357	31%	0.305	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-64.2	129.3	167.2	-72.1	-170.8	-179.3	-179.2	0	108.7	P80 V81 S82 V83 Y366	P80-K364 HydrophobicContact CB-CG 4.34Å; V81-K364 PolarHBondContact O-N 3.5Å; S82-K364 CarbonylContact C-O 3.55Å; S82-K364 WeakPolarHBondContact CA-O 3.19Å; V83-K364 PolarHBondContact N-O 3.36Å; K364-Y366 HydrophobicContact CB-CD2 4.47Å; K364-Y366 HydrophobicContact CB-CE2 3.68Å; K364-Y366 HydrophobicContact CD-CE2 4.4Å; K364-Y366 WeakPolarHBondContact CD-OH 3.41Å
365	T	98.2	Very high	93.4	Very high	0 Å²	0	52.7 Å²	52.7	0%	0	27%	0.271	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.4	131.1	178.6	-57.9	0	0	0	0	109.3	V83 L85 Y353 P363 L378 N388 Y389 N390	V83-T365 CarbonylContact O-C 3.51Å; V83-T365 WeakPolarHBondContact O-CA 3.33Å; L85-T365 HydrophobicContact CD1-CG2 3.59Å; L85-T365 HydrophobicContact CG-CG2 3.86Å; Y353-T365 WeakPolarHBondContact CE1-OG1 3.42Å; Y353-T365 WeakPolarHBondContact OH-CB 3.47Å; Y353-T365 WeakPolarHBondContact OH-CG2 3.36Å; Y353-T365 PolarHBondContact OH-OG1 3.47Å; P363-T365 PolarHBondContact O-N 2.93Å; T365-L378 HydrophobicContact CG2-CD2 4.02Å; T365-N388 PolarHBondContact N-O 2.9Å; T365-Y389 HydrophobicContact CG2-CD2 4.13Å; T365-Y389 CarbonylContact O-C 3.54Å; T365-Y389 WeakPolarHBondContact O-CA 3.46Å; T365-N390 PolarHBondContact O-N 2.89Å
366	Y	98.3	Very high	93.6	Very high	14 Å²	14	56.1 Å²	56.1	6%	0.055	29%	0.287	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.3	117.3	176.5	-62.8	-89.9	0	0	0	109.2	V83 V84 L85 L154 A161 K364 N390 V392	V83-Y366 PolarHBondContact O-N 3.43Å; V84-Y366 CarbonylContact C-O 3.51Å; V84-Y366 WeakPolarHBondContact CA-O 3.41Å; L85-Y366 PolarHBondContact N-O 3.15Å; L154-Y366 HydrophobicContact CD1-CD1 3.71Å; L154-Y366 HydrophobicContact CD1-CE1 3.67Å; L154-Y366 HydrophobicContact CD1-CG 4.4Å; L154-Y366 HydrophobicContact CD2-CD1 3.83Å; L154-Y366 HydrophobicContact CD2-CD2 4.24Å; L154-Y366 HydrophobicContact CD2-CE1 4.45Å; L154-Y366 HydrophobicContact CD2-CG 3.7Å; L154-Y366 HydrophobicContact CG-CD1 4.46Å; A161-Y366 HydrophobicContact CB-CD2 4.23Å; A161-Y366 HydrophobicContact CB-CE1 4.25Å; A161-Y366 HydrophobicContact CB-CE2 3.55Å; K364-Y366 HydrophobicContact CB-CD2 4.47Å; K364-Y366 HydrophobicContact CB-CE2 3.68Å; K364-Y366 HydrophobicContact CD-CE2 4.4Å; K364-Y366 WeakPolarHBondContact CD-OH 3.41Å; Y366-N390 CarbonylContact C-O 3.56Å; Y366-N390 WeakPolarHBondContact CA-O 3.43Å; Y366-N390 HydrophobicContact CD1-CB 3.88Å; Y366-N390 HydrophobicContact CE1-CB 4.03Å; Y366-V392 HydrophobicContact CD1-CG2 3.91Å
367	E	98.2	Very high	93.9	Very high	0 Å²	0	53.6 Å²	53.6	0%	0	27%	0.269	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.5	105.8	165.6	178.4	165.9	-179.1	0	0	108.2	L85 H373 L374 G375 Y389 N390 V392	L85-E367 WeakPolarHBondContact O-CA 3.3Å; E367-H373 PolarHBondContact OE1-N 3.05Å; E367-H373 VanDerWaalsContact OE1-N 3.14Å; E367-L374 HydrophobicContact CG-CB 4.39Å; E367-L374 HydrophobicContact CG-CD1 4.46Å; E367-L374 WeakPolarHBondContact OE1-CG 3.25Å; E367-L374 PolarHBondContact OE1-N 2.93Å; E367-L374 WeakPolarHBondContact OE2-CA 3.45Å; E367-L374 VanDerWaalsContact OE2-CB 3.29Å; E367-L374 WeakPolarHBondContact OE2-CB 3.41Å; E367-L374 PolarHBondContact OE2-N 2.84Å; E367-L374 VanDerWaalsContact OE2-N 3.08Å; E367-G375 PolarHBondContact OE2-N 3.46Å; E367-Y389 HydrophobicContact CB-CE2 3.61Å; E367-Y389 WeakPolarHBondContact CB-OH 3.32Å; E367-Y389 PolarHBondContact OE2-OH 3.25Å; E367-N390 PolarHBondContact N-O 3.12Å; E367-V392 PolarHBondContact O-N 3.3Å
368	T	97.5	Very high	94.6	Very high	0 Å²	0	44.1 Å²	44.1	0%	0	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.6	103	-175.4	53.8	0	0	0	0	109.6	V84 L85 F86 P87 S147 V151 L154 V392	V84-T368 HydrophobicContact CG1-CG2 3.7Å; V84-T368 VanDerWaalsContact CG1-OG1 3.22Å; V84-T368 WeakPolarHBondContact CG1-OG1 3.47Å; L85-T368 PolarHBondContact O-N 3.34Å; L85-T368 PolarHBondContact O-OG1 3.42Å; F86-T368 VanDerWaalsContact CE1-OG1 3.28Å; F86-T368 WeakPolarHBondContact CE1-OG1 3.26Å; P87-T368 VanDerWaalsContact CD-O 3.27Å; P87-T368 WeakPolarHBondContact CD-O 3.38Å; S147-T368 WeakPolarHBondContact CA-O 3.34Å; S147-T368 WeakPolarHBondContact CB-O 3.2Å; V151-T368 HydrophobicContact CG2-CG2 4.1Å; L154-T368 HydrophobicContact CD2-CG2 3.96Å; T368-V392 HydrophobicContact CG2-CB 4.2Å; T368-V392 HydrophobicContact CG2-CG2 4.32Å
369	G	96.8	Very high	95	Very high	0 Å²	0	44.7 Å²	44.7	0%	0	21%	0.213	C	C	.	.	S	Bend	trans	145.3	-175.2	-178.4	0	0	0	0	0	112.1	V392	G369-V392 PolarHBondContact N-O 3.38Å; G369-V392 VanDerWaalsContact N-O 3.11Å
370	P	95.3	Very high	95.6	Very high	0 Å²	0	49 Å²	49	0%	0	23%	0.226	C	C	.	.	S	Bend	trans	-71.5	137.2	-176.9	27.8	-32.4	0	0	0	111.3	T91 M96 I143	T91-P370 WeakPolarHBondContact CB-O 3.24Å; T91-P370 PolarHBondContact OG1-O 3.46Å; M96-P370 HydrophobicContact CB-CB 4.27Å; M96-P370 HydrophobicContact SD-CB 4.06Å; M96-P370 HydrophobicContact SD-CG 3.99Å; I143-P370 HydrophobicContact CG1-CG 4.2Å
371	G	92.8	Very high	96.2	Very high	10 Å²	10	42.1 Å²	42.1	10%	0.103	20%	0.195	C	C	.	.	S	Bend	trans	83	178	173.1	0	0	0	0	0	115.7	I391	G371-I391 WeakPolarHBondContact O-CD1 3.4Å
372	D	95.2	Very high	96.5	Very high	58 Å²	58	37.5 Å²	37.5	31%	0.31	17%	0.17	S	C	.	.	S	Bend	trans	-125.8	22.9	-172.3	69.3	-16.8	0	0	0	113.2	L374 G375 K376 I391	D372-L374 PolarHBondContact O-N 3.02Å; D372-G375 PolarHBondContact O-N 2.88Å; D372-K376 PolarHBondContact O-N 3.06Å; D372-K376 VanDerWaalsContact O-N 3.15Å; D372-K376 WeakPolarHBondContact OD1-CE 3.34Å; D372-K376 IonicContact OD1-NZ 3.24Å; D372-K376 PolarHBondContact OD1-NZ 2.83Å; D372-K376 WeakPolarHBondContact OD2-CE 3.42Å; D372-K376 IonicContact OD2-NZ 2.64Å; D372-K376 PolarHBondContact OD2-NZ 3.17Å; D372-I391 HydrophobicContact CB-CD1 3.98Å
373	H	93.9	Very high	96.6	Very high	82 Å²	82	40.5 Å²	40.5	38%	0.38	19%	0.194	S	C	.	.	H	α-helix	trans	-70.2	-37.1	-167.8	-73.2	74.4	0	0	0	111.5	T91 E367 K376 M377	T91-H373 HydrophobicContact CG2-CB 4.09Å; T91-H373 WeakPolarHBondContact CG2-ND1 3.49Å; E367-H373 PolarHBondContact OE1-N 3.05Å; E367-H373 VanDerWaalsContact OE1-N 3.14Å; H373-K376 PolarHBondContact O-N 3.24Å; H373-M377 WeakPolarHBondContact O-CG 3.18Å; H373-M377 PolarHBondContact O-N 2.86Å; H373-M377 VanDerWaalsContact O-N 3.14Å
374	L	97.7	Very high	96.6	Very high	3 Å²	3	46.9 Å²	46.9	2%	0.016	22%	0.221	C	C	.	.	H	α-helix	trans	-72.4	-36.2	-179.1	-51.2	-177.6	0	0	0	110.9	L85 F86 P87 Y171 W345 E367 D372 K376 M377 L378	L85-L374 HydrophobicContact CB-CD1 3.85Å; L85-L374 HydrophobicContact CD1-CB 4.39Å; F86-L374 WeakPolarHBondContact O-CD1 3.18Å; P87-L374 HydrophobicContact CB-CD1 4.48Å; Y171-L374 HydrophobicContact CD2-CD2 4.33Å; Y171-L374 HydrophobicContact CG-CD2 4.19Å; W345-L374 HydrophobicContact CH2-CD1 4.02Å; W345-L374 HydrophobicContact CH2-CD2 4.49Å; W345-L374 HydrophobicContact CZ2-CB 4.18Å; W345-L374 HydrophobicContact CZ2-CD1 3.73Å; W345-L374 HydrophobicContact CZ2-CD2 3.74Å; W345-L374 HydrophobicContact CZ2-CG 4.1Å; E367-L374 HydrophobicContact CG-CB 4.39Å; E367-L374 HydrophobicContact CG-CD1 4.46Å; E367-L374 WeakPolarHBondContact OE1-CG 3.25Å; E367-L374 PolarHBondContact OE1-N 2.93Å; E367-L374 WeakPolarHBondContact OE2-CA 3.45Å; E367-L374 VanDerWaalsContact OE2-CB 3.29Å; E367-L374 WeakPolarHBondContact OE2-CB 3.41Å; E367-L374 PolarHBondContact OE2-N 2.84Å; E367-L374 VanDerWaalsContact OE2-N 3.08Å; D372-L374 PolarHBondContact O-N 3.02Å; L374-K376 PolarHBondContact O-N 2.61Å; L374-M377 HydrophobicContact CD2-SD 4.33Å; L374-M377 PolarHBondContact O-N 3.12Å; L374-L378 WeakPolarHBondContact O-CB 3.47Å; L374-L378 PolarHBondContact O-N 2.95Å
375	G	97.4	Very high	96.5	Very high	1 Å²	1	43 Å²	43	1%	0.01	20%	0.204	C	C	.	.	H	α-helix	trans	-59.1	-43.9	171.3	0	0	0	0	0	112.5	E367 D372 M377 L378 K379 F386	E367-G375 PolarHBondContact OE2-N 3.46Å; D372-G375 PolarHBondContact O-N 2.88Å; G375-M377 VanDerWaalsContact C-N 3.31Å; G375-M377 PolarHBondContact O-N 3.08Å; G375-L378 PolarHBondContact O-N 3.46Å; G375-K379 PolarHBondContact O-N 2.95Å; G375-F386 VanDerWaalsContact O-CD2 3.27Å; G375-F386 WeakPolarHBondContact O-CD2 3.37Å; G375-F386 WeakPolarHBondContact O-CE2 3.38Å
376	K	96.5	Very high	96.5	Very high	117 Å²	117	45.8 Å²	45.8	51%	0.509	22%	0.216	S	C	.	.	H	α-helix	trans	-60.9	-38.5	174.1	-75.2	168.3	175	151.8	0	112.4	D372 H373 L374 R380	D372-K376 PolarHBondContact O-N 3.06Å; D372-K376 VanDerWaalsContact O-N 3.15Å; D372-K376 WeakPolarHBondContact OD1-CE 3.34Å; D372-K376 IonicContact OD1-NZ 3.24Å; D372-K376 PolarHBondContact OD1-NZ 2.83Å; D372-K376 WeakPolarHBondContact OD2-CE 3.42Å; D372-K376 IonicContact OD2-NZ 2.64Å; D372-K376 PolarHBondContact OD2-NZ 3.17Å; H373-K376 PolarHBondContact O-N 3.24Å; L374-K376 PolarHBondContact O-N 2.61Å; K376-R380 WeakPolarHBondContact O-CG 3.31Å
377	M	97.1	Very high	96.4	Very high	27 Å²	27	48.8 Å²	48.8	13%	0.133	24%	0.244	C	C	.	.	H	α-helix	trans	-70.5	-44.1	174.6	-64.6	174	-165	0	0	111.5	L250 Y251 H373 L374 G375 K379 R380 V381	L250-M377 HydrophobicContact CB-SD 4.37Å; L250-M377 HydrophobicContact CD1-CE 4.33Å; L250-M377 HydrophobicContact CD2-CE 3.9Å; L250-M377 HydrophobicContact CD2-SD 4.01Å; Y251-M377 HydrophobicContact CD1-CG 4.49Å; H373-M377 WeakPolarHBondContact O-CG 3.18Å; H373-M377 PolarHBondContact O-N 2.86Å; H373-M377 VanDerWaalsContact O-N 3.14Å; L374-M377 HydrophobicContact CD2-SD 4.33Å; L374-M377 PolarHBondContact O-N 3.12Å; G375-M377 VanDerWaalsContact C-N 3.31Å; G375-M377 PolarHBondContact O-N 3.08Å; M377-K379 VanDerWaalsContact C-N 3.29Å; M377-K379 PolarHBondContact O-N 3.35Å; M377-R380 WeakPolarHBondContact O-CA 3.28Å; M377-R380 WeakPolarHBondContact O-CB 3.15Å; M377-R380 PolarHBondContact O-N 2.89Å; M377-V381 PolarHBondContact O-N 3.38Å
378	L	98.1	Very high	96.3	Very high	0 Å²	0	51.7 Å²	51.7	0%	0	26%	0.26	C	S	.	.	H	α-helix	trans	-56.8	-43.4	176.5	176.3	57.3	0	0	0	111.3	L349 Y353 T365 L374 G375 R380 V381 N382 A385 F386 Y389	L349-L378 HydrophobicContact CD2-CD1 4.36Å; Y353-L378 HydrophobicContact CD2-CD1 3.65Å; Y353-L378 HydrophobicContact CE2-CD1 3.3Å; Y353-L378 HydrophobicContact CE2-CD2 4.24Å; Y353-L378 HydrophobicContact CE2-CG 4.4Å; Y353-L378 HydrophobicContact CG-CD1 4.48Å; T365-L378 HydrophobicContact CG2-CD2 4.02Å; L374-L378 WeakPolarHBondContact O-CB 3.47Å; L374-L378 PolarHBondContact O-N 2.95Å; G375-L378 PolarHBondContact O-N 3.46Å; L378-R380 PolarHBondContact O-N 2.77Å; L378-V381 PolarHBondContact O-N 3.1Å; L378-V381 VanDerWaalsContact O-N 3.09Å; L378-N382 HydrophobicContact CD1-CB 4.39Å; L378-N382 CarbonylContact O-C 3.54Å; L378-N382 PolarHBondContact O-N 3.38Å; L378-A385 HydrophobicContact CD1-CB 3.94Å; L378-F386 HydrophobicContact CG-CB 4.23Å; L378-Y389 HydrophobicContact CD2-CD2 4.31Å
379	K	97.6	Very high	96.3	Very high	122 Å²	122	53.5 Å²	53.5	53%	0.53	27%	0.266	S	S	.	.	H	α-helix	trans	-56.2	-33.5	174.8	-169.9	175.7	-176.1	172.4	0	113	G375 M377 F386	G375-K379 PolarHBondContact O-N 2.95Å; M377-K379 VanDerWaalsContact C-N 3.29Å; M377-K379 PolarHBondContact O-N 3.35Å; K379-F386 HydrophobicContact CB-CB 4.16Å; K379-F386 HydrophobicContact CB-CD1 3.98Å; K379-F386 HydrophobicContact CB-CD2 3.67Å; K379-F386 HydrophobicContact CB-CE1 4.35Å; K379-F386 HydrophobicContact CB-CE2 4.05Å; K379-F386 HydrophobicContact CB-CG 3.63Å; K379-F386 HydrophobicContact CB-CZ 4.37Å; K379-F386 HydrophobicContact CD-CD1 3.92Å; K379-F386 HydrophobicContact CD-CE1 3.68Å; K379-F386 HydrophobicContact CD-CE2 4.48Å; K379-F386 HydrophobicContact CD-CG 4.43Å; K379-F386 HydrophobicContact CD-CZ 3.99Å; K379-F386 HydrophobicContact CG-CB 4.48Å; K379-F386 HydrophobicContact CG-CD1 3.73Å; K379-F386 HydrophobicContact CG-CD2 4.35Å; K379-F386 HydrophobicContact CG-CE1 4.04Å; K379-F386 HydrophobicContact CG-CG 3.9Å; K379-F386 HydrophobicContact CG-CZ 4.46Å
380	R	97	Very high	96.3	Very high	179 Å²	179	56.9 Å²	56.9	68%	0.675	29%	0.285	S	S	*	.	H	α-helix	trans	-79.7	-30.2	178.4	-64.2	-63.9	-167.3	-178.7	3.2	113	Y251 K376 M377 L378	Y251-R380 HydrophobicContact CD1-CB 3.85Å; Y251-R380 HydrophobicContact CD1-CG 4.14Å; Y251-R380 HydrophobicContact CD2-CB 3.82Å; Y251-R380 HydrophobicContact CD2-CG 4.23Å; Y251-R380 HydrophobicContact CE1-CB 4.29Å; Y251-R380 HydrophobicContact CE1-CG 4.06Å; Y251-R380 HydrophobicContact CE2-CB 4.24Å; Y251-R380 HydrophobicContact CE2-CG 4.12Å; Y251-R380 HydrophobicContact CG-CB 3.61Å; Y251-R380 HydrophobicContact CG-CG 4.23Å; K376-R380 WeakPolarHBondContact O-CG 3.31Å; M377-R380 WeakPolarHBondContact O-CA 3.28Å; M377-R380 WeakPolarHBondContact O-CB 3.15Å; M377-R380 PolarHBondContact O-N 2.89Å; L378-R380 PolarHBondContact O-N 2.77Å
381	V	96.9	Very high	96.3	Very high	24 Å²	24	60.4 Å²	60.4	15%	0.145	30%	0.303	C	S	.	.	H	α-helix	trans	-85.3	-46.7	178.8	177.5	0	0	0	0	111.9	L349 M377 L378	L349-V381 HydrophobicContact CB-CB 4.34Å; L349-V381 HydrophobicContact CB-CG1 3.89Å; L349-V381 HydrophobicContact CB-CG2 4.41Å; L349-V381 HydrophobicContact CD1-CB 4.14Å; L349-V381 HydrophobicContact CD1-CG2 3.73Å; M377-V381 PolarHBondContact O-N 3.38Å; L378-V381 PolarHBondContact O-N 3.1Å; L378-V381 VanDerWaalsContact O-N 3.09Å
382	N	96.3	Very high	96.4	Very high	37 Å²	37	60.4 Å²	60.4	20%	0.198	30%	0.301	C	S	.	.			trans	-149.1	97.1	-175.8	-168.5	-34.2	0	0	0	111	F362 L378 K384 A385 F386	F362-N382 WeakPolarHBondContact CE1-ND2 3.45Å; L378-N382 HydrophobicContact CD1-CB 4.39Å; L378-N382 CarbonylContact O-C 3.54Å; L378-N382 PolarHBondContact O-N 3.38Å; N382-K384 VanDerWaalsContact C-N 3.29Å; N382-K384 PolarHBondContact O-N 2.78Å; N382-K384 PolarHBondContact OD1-N 3.44Å; N382-A385 HydrophobicContact CB-CB 3.92Å; N382-A385 PolarHBondContact O-N 3.27Å; N382-A385 PolarHBondContact OD1-N 3.12Å; N382-F386 PolarHBondContact O-N 2.98Å
383	S	95.1	Very high	96.2	Very high	84 Å²	84	61.8 Å²	61.8	59%	0.587	31%	0.305	S	S	*	.	H	α-helix	trans	-66	-27.9	-179.4	56.6	0	0	0	0	113.8	A387	S383-A387 PolarHBondContact O-N 3.06Å
384	K	94.8	Very high	95.6	Very high	145 Å²	145	58.3 Å²	58.3	63%	0.63	29%	0.29	S	S	*	.	H	α-helix	trans	-71.3	-42.5	176.1	-63.1	-174.8	178.9	-175.5	0	111.2	F362 N382 F386 A387	F362-K384 HydrophobicContact CD2-CB 3.77Å; F362-K384 HydrophobicContact CE2-CB 3.35Å; F362-K384 HydrophobicContact CE2-CD 3.86Å; F362-K384 HydrophobicContact CE2-CG 4.26Å; F362-K384 HydrophobicContact CZ-CB 3.79Å; F362-K384 HydrophobicContact CZ-CD 4.31Å; N382-K384 VanDerWaalsContact C-N 3.29Å; N382-K384 PolarHBondContact O-N 2.78Å; N382-K384 PolarHBondContact OD1-N 3.44Å; K384-F386 VanDerWaalsContact C-N 3.35Å; K384-A387 WeakPolarHBondContact O-CB 3.34Å; K384-A387 PolarHBondContact O-N 2.94Å
385	A	96.5	Very high	95.5	Very high	0 Å²	0	61.1 Å²	61.1	0%	0	30%	0.304	C	S	.	.	H	α-helix	trans	-62.8	-42.1	172.5	0	0	0	0	0	111.9	Y353 F362 L378 N382 A387 N388	Y353-A385 HydrophobicContact CD1-CB 3.43Å; Y353-A385 VanDerWaalsContact CD1-CB 3.43Å; Y353-A385 HydrophobicContact CD2-CB 4.28Å; Y353-A385 HydrophobicContact CE1-CB 3.69Å; Y353-A385 HydrophobicContact CG-CB 3.74Å; F362-A385 HydrophobicContact CD1-CB 3.57Å; F362-A385 HydrophobicContact CE1-CB 4.06Å; F362-A385 HydrophobicContact CG-CB 4.2Å; L378-A385 HydrophobicContact CD1-CB 3.94Å; N382-A385 HydrophobicContact CB-CB 3.92Å; N382-A385 PolarHBondContact O-N 3.27Å; N382-A385 PolarHBondContact OD1-N 3.12Å; A385-A387 PolarHBondContact O-N 2.9Å; A385-N388 PolarHBondContact O-N 3.35Å; A385-N388 VanDerWaalsContact O-N 3.08Å
386	F	97.4	Very high	95.4	Very high	58 Å²	58	64.3 Å²	64.3	25%	0.254	32%	0.319	S	S	.	.	H	α-helix	trans	-60.4	-25.8	176.5	179	-98.1	0	0	0	113.4	G375 L378 K379 N382 K384 N388 Y389	G375-F386 VanDerWaalsContact O-CD2 3.27Å; G375-F386 WeakPolarHBondContact O-CD2 3.37Å; G375-F386 WeakPolarHBondContact O-CE2 3.38Å; L378-F386 HydrophobicContact CG-CB 4.23Å; K379-F386 HydrophobicContact CB-CB 4.16Å; K379-F386 HydrophobicContact CB-CD1 3.98Å; K379-F386 HydrophobicContact CB-CD2 3.67Å; K379-F386 HydrophobicContact CB-CE1 4.35Å; K379-F386 HydrophobicContact CB-CE2 4.05Å; K379-F386 HydrophobicContact CB-CG 3.63Å; K379-F386 HydrophobicContact CB-CZ 4.37Å; K379-F386 HydrophobicContact CD-CD1 3.92Å; K379-F386 HydrophobicContact CD-CE1 3.68Å; K379-F386 HydrophobicContact CD-CE2 4.48Å; K379-F386 HydrophobicContact CD-CG 4.43Å; K379-F386 HydrophobicContact CD-CZ 3.99Å; K379-F386 HydrophobicContact CG-CB 4.48Å; K379-F386 HydrophobicContact CG-CD1 3.73Å; K379-F386 HydrophobicContact CG-CD2 4.35Å; K379-F386 HydrophobicContact CG-CE1 4.04Å; K379-F386 HydrophobicContact CG-CG 3.9Å; K379-F386 HydrophobicContact CG-CZ 4.46Å; N382-F386 PolarHBondContact O-N 2.98Å; K384-F386 VanDerWaalsContact C-N 3.35Å; F386-N388 PolarHBondContact O-N 3.36Å; F386-N388 VanDerWaalsContact O-N 3.11Å; F386-Y389 HydrophobicContact CD2-CD1 4.24Å; F386-Y389 HydrophobicContact CD2-CG 4.04Å; F386-Y389 AromaticContact CE2-CD1 3.73Å; F386-Y389 HydrophobicContact CE2-CD1 3.73Å; F386-Y389 HydrophobicContact CE2-CE1 4.38Å; F386-Y389 HydrophobicContact CE2-CG 4.01Å; F386-Y389 HydrophobicContact CZ-CD1 4.44Å; F386-Y389 VanDerWaalsContact O-CB 3.23Å; F386-Y389 WeakPolarHBondContact O-CB 3.34Å; F386-Y389 PolarHBondContact O-N 3.18Å
387	A	96.4	Very high	95.4	Very high	77 Å²	77	61.3 Å²	61.3	64%	0.636	31%	0.309	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.3	-21.5	175.7	0	0	0	0	0	113.1	S383 K384 A385	S383-A387 PolarHBondContact O-N 3.06Å; K384-A387 WeakPolarHBondContact O-CB 3.34Å; K384-A387 PolarHBondContact O-N 2.94Å; A385-A387 PolarHBondContact O-N 2.9Å
388	N	95.8	Very high	95.3	Very high	62 Å²	62	63.4 Å²	63.4	33%	0.332	32%	0.319	S	S	.	.	T	Hydrogen-bonded Turn	trans	-108.6	19.5	177.2	-63.1	-25.6	0	0	0	112.9	F362 T365 A385 F386 N390	F362-N388 PolarHBondContact O-ND2 2.87Å; T365-N388 PolarHBondContact N-O 2.9Å; A385-N388 PolarHBondContact O-N 3.35Å; A385-N388 VanDerWaalsContact O-N 3.08Å; F386-N388 PolarHBondContact O-N 3.36Å; F386-N388 VanDerWaalsContact O-N 3.11Å; N388-N390 PolarHBondContact O-ND2 3.31Å
389	Y	97.7	Very high	95.1	Very high	37 Å²	37	67.3 Å²	67.3	15%	0.145	34%	0.339	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.1	137.5	178.8	168.2	-89	0	0	0	112.3	T365 E367 L378 F386 I391	T365-Y389 HydrophobicContact CG2-CD2 4.13Å; T365-Y389 CarbonylContact O-C 3.54Å; T365-Y389 WeakPolarHBondContact O-CA 3.46Å; E367-Y389 HydrophobicContact CB-CE2 3.61Å; E367-Y389 WeakPolarHBondContact CB-OH 3.32Å; E367-Y389 PolarHBondContact OE2-OH 3.25Å; L378-Y389 HydrophobicContact CD2-CD2 4.31Å; F386-Y389 HydrophobicContact CD2-CD1 4.24Å; F386-Y389 HydrophobicContact CD2-CG 4.04Å; F386-Y389 AromaticContact CE2-CD1 3.73Å; F386-Y389 HydrophobicContact CE2-CD1 3.73Å; F386-Y389 HydrophobicContact CE2-CE1 4.38Å; F386-Y389 HydrophobicContact CE2-CG 4.01Å; F386-Y389 HydrophobicContact CZ-CD1 4.44Å; F386-Y389 VanDerWaalsContact O-CB 3.23Å; F386-Y389 WeakPolarHBondContact O-CB 3.34Å; F386-Y389 PolarHBondContact O-N 3.18Å; Y389-I391 HydrophobicContact CE1-CB 4.47Å
390	N	97.4	Very high	94.9	Very high	72 Å²	72	63.7 Å²	63.7	39%	0.385	33%	0.326	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-134	144.9	176	-58.9	-89	0	0	0	109.3	T365 Y366 E367 N388	T365-N390 PolarHBondContact O-N 2.89Å; Y366-N390 CarbonylContact C-O 3.56Å; Y366-N390 WeakPolarHBondContact CA-O 3.43Å; Y366-N390 HydrophobicContact CD1-CB 3.88Å; Y366-N390 HydrophobicContact CE1-CB 4.03Å; E367-N390 PolarHBondContact N-O 3.12Å; N388-N390 PolarHBondContact O-ND2 3.31Å
391	I	95.7	Very high	94.8	Very high	74 Å²	74	55.4 Å²	55.4	38%	0.379	30%	0.301	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-98	140.4	171.7	-171.7	172	0	0	0	109.4	G371 D372 Y389 E393	G371-I391 WeakPolarHBondContact O-CD1 3.4Å; D372-I391 HydrophobicContact CB-CD1 3.98Å; Y389-I391 HydrophobicContact CE1-CB 4.47Å; I391-E393 HydrophobicContact CD1-CG 3.55Å; I391-E393 HydrophobicContact CG1-CG 3.79Å
392	V	94.6	Very high	94.6	Very high	9 Å²	9	57.8 Å²	57.8	6%	0.055	31%	0.313	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.5	94.7	169.8	-171.2	0	0	0	0	108.1	A150 K153 L154 Y366 E367 T368 G369	A150-V392 HydrophobicContact CB-CB 4.45Å; A150-V392 HydrophobicContact CB-CG1 4.12Å; A150-V392 VanDerWaalsContact CB-O 3.23Å; A150-V392 WeakPolarHBondContact CB-O 3.45Å; A150-V392 WeakPolarHBondContact O-CG1 3.24Å; K153-V392 HydrophobicContact CD-CG1 4.36Å; K153-V392 HydrophobicContact CG-CG1 4.49Å; L154-V392 HydrophobicContact CB-CG1 4.14Å; L154-V392 HydrophobicContact CB-CG2 4.28Å; L154-V392 HydrophobicContact CD1-CG2 4.04Å; L154-V392 HydrophobicContact CD2-CG2 4.25Å; L154-V392 HydrophobicContact CG-CG2 4.42Å; Y366-V392 HydrophobicContact CD1-CG2 3.91Å; E367-V392 PolarHBondContact O-N 3.3Å; T368-V392 HydrophobicContact CG2-CB 4.2Å; T368-V392 HydrophobicContact CG2-CG2 4.32Å; G369-V392 PolarHBondContact N-O 3.38Å; G369-V392 VanDerWaalsContact N-O 3.11Å
393	E	89.9	Confident	94.5	Very high	88 Å²	88	59.6 Å²	59.6	41%	0.411	32%	0.323	S	S	.	.			trans	-80	138.2	176	-64.4	-160.1	130.9	0	0	111.1	K153 I391	K153-E393 WeakPolarHBondContact CD-O 3.47Å; K153-E393 PolarHBondContact NZ-O 2.87Å; I391-E393 HydrophobicContact CD1-CG 3.55Å; I391-E393 HydrophobicContact CG1-CG 3.79Å
394	P	82.2	Confident	94.4	Very high	9 Å²	9	57.4 Å²	57.4	6%	0.058	30%	0.299	C	S	.	.			trans	-83	0	-176.8	34.5	-34.9	0	0	0	114.1	G97 A99 A100 C146 A149 A150	G97-P394 WeakPolarHBondContact CA-OXT 3.37Å; G97-P394 PolarHBondContact N-O 3.06Å; A99-P394 PolarHBondContact N-OXT 3.23Å; A100-P394 WeakPolarHBondContact CA-OXT 3.41Å; A100-P394 HydrophobicContact CB-CB 4.39Å; A100-P394 WeakPolarHBondContact CB-OXT 3.49Å; A100-P394 PolarHBondContact N-OXT 3.15Å; C146-P394 HydrophobicContact CB-CB 4.28Å; C146-P394 HydrophobicContact CB-CG 3.79Å; C146-P394 WeakPolarHBondContact O-CB 3.19Å; A149-P394 HydrophobicContact CB-CB 4.29Å; A150-P394 HydrophobicContact CB-CB 4.01Å

Retrieved 394 of 394 residues in 499.1 ms (Link to these results)

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