A0A096NGA3_PAPAN Loading...

Methionine aminopeptidase 2

Cotranslationally removes the N-terminal methionine from nascent proteins. The N-terminal methionine is often cleaved when the second residue in the primary sequence is small and uncharged (Met-Ala-, Cys, Gly, Pro, Ser, Thr, or Val). Protects eukaryotic initiation factor EIF2S1 from translation-inhibiting phosphorylation by inhibitory kinases such as EIF2AK2/PKR and EIF2AK1/HCR. Plays a critical role in the regulation of protein synthesis.

AlphaFold DB , UniProt , Accession A0A096NGA3, Species PAPAN (Papio anubis, Olive baboon), Gene METAP2, Length 478 aa.

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(Predicted Aligned Error values between residue pairs)

Download Structure PDB PAE Table

Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	37.9	Very low	32.6	Very low	240 Å²	240	133.4 Å²	133.4	100%	1.182	89%	0.886	S	S	*	*				0	91.1	0	-65.3	-176	-176.5	0	0	105.4
2	A	33.2	Very low	32.7	Very low	109 Å²	109	132.3 Å²	132.3	90%	0.901	88%	0.883	S	S	*	*				51.3	117.3	92.1	0	0	0	0	0	111.2
3	G	32.2	Very low	32.7	Very low	79 Å²	79	136.7 Å²	136.7	81%	0.814	88%	0.882	S	S	*	*			cis	-164.6	161.7	3.9	0	0	0	0	0	110.1
4	V	32.5	Very low	32.6	Very low	146 Å²	146	137.7 Å²	137.7	89%	0.885	88%	0.876	S	S	*	*			trans	-113.8	129	171.9	176.8	0	0	0	0	105.8
5	E	34.3	Very low	32.7	Very low	202 Å²	202	138.3 Å²	138.3	94%	0.944	87%	0.87	S	S	*	*			trans	-105.1	114.2	178	-151.9	171.4	-158.3	0	0	107.7
6	E	32.5	Very low	32.5	Very low	188 Å²	188	134.6 Å²	134.6	88%	0.879	87%	0.865	S	S	*	*			trans	-109.7	124.2	-177.8	-159.1	172.1	-155.2	0	0	107.8
7	A	31.5	Very low	32.4	Very low	102 Å²	102	135.8 Å²	135.8	84%	0.843	86%	0.864	S	S	*	*	P	Polyproline II helix	trans	-85	129.9	-178.2	0	0	0	0	0	110.8
8	A	31.2	Very low	32.5	Very low	104 Å²	104	138 Å²	138	86%	0.86	87%	0.867	S	S	*	*	P	Polyproline II helix	trans	-73.1	132.7	-175.3	0	0	0	0	0	113.3
9	A	31.8	Very low	32.4	Very low	102 Å²	102	139.1 Å²	139.1	84%	0.843	87%	0.866	S	S	*	*	P	Polyproline II helix	trans	-90.5	123.5	163	0	0	0	0	0	109.4	G11	A9-G11 PolarHBondContact O-N 3.44Å
10	S	33.8	Very low	32.9	Very low	125 Å²	125	137.4 Å²	137.4	87%	0.874	86%	0.856	S	S	*	*			trans	-83.1	107.5	174.5	55.4	0	0	0	0	110.4
11	G	28	Very low	32.9	Very low	70 Å²	70	136.6 Å²	136.6	72%	0.722	85%	0.846	S	S	*	*			trans	-85	128	163.5	0	0	0	0	0	110.6	A9	A9-G11 PolarHBondContact O-N 3.44Å
12	S	33.1	Very low	32.7	Very low	121 Å²	121	133.4 Å²	133.4	85%	0.846	83%	0.834	S	S	*	*			trans	-96.2	111.8	166.1	53.9	0	0	0	0	108.9
13	H	32.6	Very low	32.8	Very low	189 Å²	189	138.1 Å²	138.1	88%	0.875	83%	0.829	S	S	*	*			trans	-74	141.8	177.6	-82.9	-82.8	0	0	0	112.5
14	L	31.7	Very low	32.9	Very low	151 Å²	151	142.6 Å²	142.6	79%	0.791	83%	0.828	S	S	*	*			trans	-80.7	154.3	164	-80.4	159	0	0	0	111.3
15	N	33.7	Very low	32.8	Very low	147 Å²	147	144.1 Å²	144.1	79%	0.786	83%	0.826	S	S	*	*			trans	78.8	124	156.9	-59.8	-7.6	0	0	0	119.5
16	G	29.5	Very low	32.5	Very low	78 Å²	78	138.5 Å²	138.5	80%	0.804	82%	0.822	S	S	*	*			trans	-126.2	103.4	159.9	0	0	0	0	0	109
17	D	31.8	Very low	32.4	Very low	156 Å²	156	134.5 Å²	134.5	83%	0.834	82%	0.821	S	S	*	*			trans	-65.6	144.4	163.2	-72.3	-49.8	0	0	0	110.2
18	L	33.6	Very low	32.3	Very low	175 Å²	175	133.9 Å²	133.9	92%	0.916	82%	0.816	S	S	*	*			trans	-105.7	112.8	166.9	-76.7	168.5	0	0	0	108.1
19	D	31.3	Very low	32.2	Very low	159 Å²	159	133.7 Å²	133.7	85%	0.85	81%	0.808	S	S	*	*			trans	-80.5	153	168.8	-106.6	-28.9	0	0	0	111.6
20	P	42.5	Very low	32.1	Very low	104 Å²	104	135.7 Å²	135.7	68%	0.675	81%	0.81	S	S	*	*			trans	-97	178.8	-174.5	39.5	-33.5	0	0	0	113.6
21	D	32.9	Very low	31.9	Very low	122 Å²	122	134 Å²	134	65%	0.652	80%	0.803	S	S	*	*			trans	85.9	105.5	169.4	-75.6	-26.3	0	0	0	118.3
22	D	33.9	Very low	32	Very low	173 Å²	173	139.2 Å²	139.2	93%	0.925	81%	0.809	S	S	*	*				-141.3	134.3	121.5	-102.5	-29.8	0	0	0	109.5
23	R	35.1	Very low	31.9	Very low	207 Å²	207	141.5 Å²	141.5	78%	0.781	81%	0.806	S	S	*	*			trans	-104.3	172.3	-172.2	-74	-177.2	179.7	-177.6	-0	112.4
24	E	33.1	Very low	31.7	Very low	173 Å²	173	136.6 Å²	136.6	81%	0.808	80%	0.799	S	S	*	*			trans	89.9	139.3	162.9	-61.7	-167.1	162.1	0	0	116.3
25	E	32	Very low	31.7	Very low	179 Å²	179	134 Å²	134	84%	0.836	80%	0.799	S	S	*	*			cis	-169	155.6	-8.6	-114.3	-167.3	169.3	0	0	105.4
26	G	26.8	Very low	31.5	Very low	83 Å²	83	137 Å²	137	86%	0.856	81%	0.805	S	S	*	*			trans	156.9	98.5	163.8	0	0	0	0	0	115.6
27	A	30.4	Very low	31.6	Very low	104 Å²	104	142.5 Å²	142.5	86%	0.86	81%	0.807	S	S	*	*			trans	-85.9	167.9	-176	0	0	0	0	0	115.6
28	A	30.1	Very low	31.5	Very low	89 Å²	89	145.4 Å²	145.4	74%	0.736	81%	0.812	S	S	*	*			trans	97.2	103.3	145.1	0	0	0	0	0	120.9
29	S	29.2	Very low	31.3	Very low	100 Å²	100	147.3 Å²	147.3	70%	0.699	81%	0.807	S	S	*	*				31.3	134.1	126.5	66.7	0	0	0	0	121.7
30	T	29.3	Very low	31.1	Very low	145 Å²	145	150.2 Å²	150.2	89%	0.89	81%	0.806	S	S	*	*				179	161.9	103.8	30.3	0	0	0	0	111.8
31	A	29.4	Very low	30.3	Very low	88 Å²	88	155.5 Å²	155.5	73%	0.727	82%	0.818	S	S	*	*			trans	-95.6	-176.9	-166.1	0	0	0	0	0	114.8
32	E	30.1	Very low	30.1	Very low	180 Å²	180	158.6 Å²	158.6	84%	0.841	83%	0.826	S	S	*	*			trans	76.2	145.5	154.9	-86.6	179.5	173	0	0	117.9
33	E	30.2	Very low	29.8	Very low	169 Å²	169	160.8 Å²	160.8	79%	0.79	83%	0.827	S	S	*	*			cis	-169.9	169	-0.8	-150.8	-166.4	161.4	0	0	108.6
34	A	29.3	Very low	29.4	Very low	86 Å²	86	159 Å²	159	71%	0.711	83%	0.825	S	S	*	*			trans	91.5	116.5	137.3	0	0	0	0	0	122.3
35	A	31.4	Very low	29.1	Very low	96 Å²	96	156.7 Å²	156.7	79%	0.793	83%	0.828	S	S	*	*			trans	-63	160.8	166.9	0	0	0	0	0	115.5
36	K	30.6	Very low	28.9	Very low	212 Å²	212	157.6 Å²	157.6	92%	0.922	83%	0.829	S	S	*	*			trans	-150.9	110.3	147.2	-112.1	165.3	-170.7	167.2	0	112.8
37	K	30.8	Very low	28.8	Very low	193 Å²	193	157.4 Å²	157.4	84%	0.839	83%	0.827	S	S	*	*			trans	-64.2	143.3	159.8	-80.2	171	173.6	165.7	0	110.5
38	K	29.2	Very low	28.7	Very low	216 Å²	216	157.2 Å²	157.2	94%	0.939	83%	0.826	S	S	*	*			trans	-141.6	129.7	143.1	-102.3	-177.3	-177	177.1	0	111.6
39	R	29	Very low	28.5	Very low	215 Å²	215	158.4 Å²	158.4	81%	0.811	83%	0.828	S	S	*	*			trans	-86.2	168.5	-177.1	-69.9	163.5	79.2	-179.5	9	112
40	R	27.7	Very low	28.4	Very low	221 Å²	221	158.7 Å²	158.7	83%	0.834	84%	0.837	S	S	*	*			trans	92.8	117.8	144.6	-82	170.2	156.9	-173.6	-5.4	117.5
41	K	26.8	Very low	28.3	Very low	215 Å²	215	156.9 Å²	156.9	94%	0.935	84%	0.837	S	S	*	*				-159.9	141.2	91	-119.2	173.7	-179.7	174.5	0	113.2
42	K	27.8	Very low	28.2	Very low	187 Å²	187	156.5 Å²	156.5	81%	0.813	84%	0.841	S	S	*	*			trans	-88.4	143.4	179.8	-141.8	176.2	-173.8	173.9	0	108.2
43	K	26.9	Very low	28	Very low	219 Å²	219	157.1 Å²	157.1	95%	0.952	84%	0.844	S	S	*	*			trans	-134.8	133.7	151.5	-128	179.4	-177.4	-178	0	108.6
44	K	27.5	Very low	27.9	Very low	169 Å²	169	158.4 Å²	158.4	74%	0.735	85%	0.85	S	S	*	*			trans	-124.2	136.4	-171.8	-159.2	-173.4	-168.3	-174.5	0	105.4
45	S	25.9	Very low	28	Very low	124 Å²	124	163.3 Å²	163.3	87%	0.867	86%	0.858	S	S	*	*			trans	-145.7	133.5	154.1	56	0	0	0	0	109.5
46	K	28.7	Very low	28	Very low	199 Å²	199	164 Å²	164	87%	0.865	85%	0.854	S	S	*	*			trans	-83.9	156	-178.1	-76.7	175.5	164.7	-175.8	0	111
47	G	25.4	Very low	27.8	Very low	78 Å²	78	162 Å²	162	80%	0.804	85%	0.854	S	S	*	*			trans	-162	115.1	151.1	0	0	0	0	0	109.1
48	A	27.9	Very low	27.7	Very low	101 Å²	101	161.7 Å²	161.7	84%	0.835	85%	0.852	S	S	*	*			trans	-76.3	168.8	171.2	0	0	0	0	0	109
49	S	26.2	Very low	28.1	Very low	113 Å²	113	160.8 Å²	160.8	79%	0.79	85%	0.852	S	S	*	*			cis	-176.9	146	25.3	41.7	0	0	0	0	107.1
50	A	27.5	Very low	28.3	Very low	106 Å²	106	156.1 Å²	156.1	88%	0.876	85%	0.852	S	S	*	*			trans	-178.7	142	137.5	0	0	0	0	0	109.7
51	A	26.6	Very low	28.7	Very low	108 Å²	108	149.2 Å²	149.2	89%	0.893	85%	0.85	S	S	*	*			trans	-78	154.5	-168.4	0	0	0	0	0	113.6
52	G	26	Very low	29.6	Very low	79 Å²	79	142.2 Å²	142.2	81%	0.814	83%	0.832	S	S	*	*			trans	-176.9	93	171.4	0	0	0	0	0	108
53	E	27.7	Very low	31.1	Very low	193 Å²	193	136.4 Å²	136.4	90%	0.902	82%	0.815	S	S	*	*			trans	-63.1	134.9	174.9	-66.2	167.9	145.9	0	0	110.9
54	Q	26.5	Very low	32.3	Very low	196 Å²	196	131.9 Å²	131.9	92%	0.916	81%	0.806	S	S	*	*			trans	-172.1	117.2	137.6	-103.6	166.2	21.1	0	0	109.3
55	E	31.5	Very low	33.4	Very low	189 Å²	189	129.3 Å²	129.3	88%	0.883	80%	0.8	S	S	*	*	P	Polyproline II helix	trans	-81.8	167.2	166.1	-106.8	-155.8	176.3	0	0	110.6
56	P	31.3	Very low	34.9	Very low	110 Å²	110	129.1 Å²	129.1	71%	0.714	79%	0.785	S	S	*	*	P	Polyproline II helix	trans	-87.8	136.1	-148.2	35	-33.4	0	0	0	112.6
57	D	27.5	Very low	36.7	Very low	170 Å²	170	123 Å²	123	91%	0.909	76%	0.764	S	S	*	*	P	Polyproline II helix	trans	-86.6	141.4	172.1	-109	-29.1	0	0	0	112.3
58	K	29.4	Very low	38.4	Very low	187 Å²	187	121.6 Å²	121.6	81%	0.813	75%	0.745	S	S	*	*	P	Polyproline II helix	trans	-70.1	150.3	-166.4	-71.9	160	172.3	172.3	0	113.1	S60	K58-S60 PolarHBondContact O-N 3.05Å
59	E	35.5	Very low	40.4	Very low	197 Å²	197	124.9 Å²	124.9	92%	0.921	74%	0.735	S	S	*	*			trans	-43.6	128.3	152.3	-76.1	172	130.7	0	0	111.4
60	S	34	Very low	42.4	Very low	117 Å²	117	125.4 Å²	125.4	82%	0.818	73%	0.726	S	S	*	*			trans	-123.2	95.4	153.2	55.1	0	0	0	0	108.5	K58 A62	K58-S60 PolarHBondContact O-N 3.05Å; S60-A62 PolarHBondContact O-N 2.94Å
61	G	36	Very low	44.2	Very low	77 Å²	77	125.4 Å²	125.4	79%	0.794	71%	0.71	S	S	*	*	P	Polyproline II helix	trans	-65.5	118.6	163.2	0	0	0	0	0	108.7	S63	G61-S63 PolarHBondContact O-N 3.26Å
62	A	44.9	Very low	46.1	Very low	67 Å²	67	126.7 Å²	126.7	55%	0.554	70%	0.698	S	S	*	*	P	Polyproline II helix	trans	-60.5	127.2	163.9	0	0	0	0	0	107.7	S60	S60-A62 PolarHBondContact O-N 2.94Å
63	S	60.3	Low	48.2	Very low	66 Å²	66	130 Å²	130	46%	0.462	69%	0.686	S	S	.	*	P	Polyproline II helix	trans	-63.8	145.3	176.7	73.2	0	0	0	0	109.6	G61 D65 E66	G61-S63 PolarHBondContact O-N 3.26Å; S63-D65 PolarHBondContact O-N 3.12Å; S63-E66 WeakPolarHBondContact O-CB 3.26Å; S63-E66 PolarHBondContact O-N 3.28Å
64	V	52.6	Low	49.9	Very low	124 Å²	124	126.3 Å²	126.3	75%	0.752	67%	0.668	S	S	*	*	H	α-helix	trans	-52.5	-28.4	178	-177	0	0	0	0	111.8	E66 A68	V64-E66 VanDerWaalsContact C-N 3.35Å; V64-E66 PolarHBondContact O-N 3.35Å; V64-A68 WeakPolarHBondContact O-CB 3.02Å; V64-A68 PolarHBondContact O-N 2.98Å
65	D	49.8	Very low	51.5	Low	114 Å²	114	119.4 Å²	119.4	61%	0.61	65%	0.645	S	S	*	*	H	α-helix	trans	-67.6	-28.4	176	-76.4	-25.2	0	0	0	114.2	S63 R69	S63-D65 PolarHBondContact O-N 3.12Å; D65-R69 VanDerWaalsContact O-CG 3.29Å; D65-R69 WeakPolarHBondContact O-CG 3.41Å; D65-R69 PolarHBondContact O-N 2.75Å; D65-R69 VanDerWaalsContact O-N 3.14Å
66	E	58	Low	52.7	Low	121 Å²	121	115.5 Å²	115.5	57%	0.565	63%	0.629	S	S	*	*	H	α-helix	trans	-78.9	-37.7	-179.8	-165.9	166.7	-165.4	0	0	111.3	S63 V64 R69 Q70	S63-E66 WeakPolarHBondContact O-CB 3.26Å; S63-E66 PolarHBondContact O-N 3.28Å; V64-E66 VanDerWaalsContact C-N 3.35Å; V64-E66 PolarHBondContact O-N 3.35Å; E66-R69 PolarHBondContact O-N 3.09Å; E66-Q70 PolarHBondContact O-N 3.46Å; E66-Q70 VanDerWaalsContact O-N 3.13Å
67	V	65.9	Low	54	Low	71 Å²	71	115.7 Å²	115.7	43%	0.43	62%	0.621	S	S	.	*	H	α-helix	trans	-67	-40.7	172.7	-176	0	0	0	0	110.5	R69 Q70 L71	V67-R69 VanDerWaalsContact C-N 3.35Å; V67-R69 PolarHBondContact O-N 2.83Å; V67-Q70 PolarHBondContact O-N 3.11Å; V67-L71 HydrophobicContact CG1-CD1 4.19Å; V67-L71 WeakPolarHBondContact O-CG 3.2Å; V67-L71 PolarHBondContact O-N 3.07Å
68	A	61.7	Low	55.2	Low	47 Å²	47	112 Å²	112	39%	0.388	60%	0.601	S	S	.	*	H	α-helix	trans	-61.1	-41.5	175.1	0	0	0	0	0	112.3	V64 Q70 L71 E72	V64-A68 WeakPolarHBondContact O-CB 3.02Å; V64-A68 PolarHBondContact O-N 2.98Å; A68-Q70 VanDerWaalsContact C-N 3.33Å; A68-Q70 PolarHBondContact O-N 2.89Å; A68-L71 PolarHBondContact O-N 3.27Å; A68-E72 PolarHBondContact O-N 3Å
69	R	70.3	Confident	56.2	Low	170 Å²	170	110.2 Å²	110.2	64%	0.642	59%	0.593	S	S	*	*	H	α-helix	trans	-71.5	-22.7	177.1	-75.8	177.7	-175.2	177.6	5.3	114.3	D65 E66 V67 R73	D65-R69 VanDerWaalsContact O-CG 3.29Å; D65-R69 WeakPolarHBondContact O-CG 3.41Å; D65-R69 PolarHBondContact O-N 2.75Å; D65-R69 VanDerWaalsContact O-N 3.14Å; E66-R69 PolarHBondContact O-N 3.09Å; V67-R69 VanDerWaalsContact C-N 3.35Å; V67-R69 PolarHBondContact O-N 2.83Å; R69-R73 PolarHBondContact O-N 3.17Å
70	Q	67.3	Low	56.7	Low	125 Å²	125	107.4 Å²	107.4	58%	0.584	58%	0.58	S	S	*	*	H	α-helix	trans	-76.5	-41.6	171.5	-96.7	-179.5	-26.2	0	0	111.3	E66 V67 A68 R73 Q74	E66-Q70 PolarHBondContact O-N 3.46Å; E66-Q70 VanDerWaalsContact O-N 3.13Å; V67-Q70 PolarHBondContact O-N 3.11Å; A68-Q70 VanDerWaalsContact C-N 3.33Å; A68-Q70 PolarHBondContact O-N 2.89Å; Q70-R73 PolarHBondContact O-N 2.93Å; Q70-Q74 PolarHBondContact O-N 2.9Å
71	L	64.9	Low	57.2	Low	106 Å²	106	111 Å²	111	56%	0.555	58%	0.576	S	S	*	*	H	α-helix	trans	-65.9	-38.8	176.6	-73.2	164.5	0	0	0	112.4	V67 A68 R73 Q74 A75	V67-L71 HydrophobicContact CG1-CD1 4.19Å; V67-L71 WeakPolarHBondContact O-CG 3.2Å; V67-L71 PolarHBondContact O-N 3.07Å; A68-L71 PolarHBondContact O-N 3.27Å; L71-R73 VanDerWaalsContact C-N 3.27Å; L71-R73 PolarHBondContact O-N 2.92Å; L71-Q74 PolarHBondContact O-N 3.35Å; L71-A75 WeakPolarHBondContact O-CB 3.26Å; L71-A75 PolarHBondContact O-N 2.97Å
72	E	67.5	Low	57.7	Low	134 Å²	134	114.2 Å²	114.2	63%	0.626	58%	0.575	S	S	*	*	H	α-helix	trans	-63.6	-33.1	173.7	-101.4	179.8	163.9	0	0	112.8	A68 L76	A68-E72 PolarHBondContact O-N 3Å; E72-L76 WeakPolarHBondContact O-CD1 3.37Å; E72-L76 VanDerWaalsContact O-CG 3.29Å; E72-L76 WeakPolarHBondContact O-CG 3.33Å; E72-L76 PolarHBondContact O-N 2.97Å; E72-L76 VanDerWaalsContact O-N 3.14Å
73	R	69.1	Low	57.5	Low	148 Å²	148	118.6 Å²	118.6	56%	0.558	58%	0.584	S	S	*	*	H	α-helix	trans	-75.4	-41.3	-180	-154.5	178.6	-45.8	179.6	9.8	111.8	R69 Q70 L71 A75 L76 E77	R69-R73 PolarHBondContact O-N 3.17Å; Q70-R73 PolarHBondContact O-N 2.93Å; L71-R73 VanDerWaalsContact C-N 3.27Å; L71-R73 PolarHBondContact O-N 2.92Å; R73-A75 VanDerWaalsContact C-N 3.34Å; R73-L76 PolarHBondContact O-N 3.08Å; R73-E77 WeakPolarHBondContact O-CG 3.41Å; R73-E77 PolarHBondContact O-N 3.13Å
74	Q	63.1	Low	56.3	Low	116 Å²	116	122.1 Å²	122.1	54%	0.542	60%	0.598	S	S	.	*	H	α-helix	trans	-61.8	-41.7	171	-89.2	179.4	-34	0	0	111.8	Q70 L71 L76 E77 D78	Q70-Q74 PolarHBondContact O-N 2.9Å; L71-Q74 PolarHBondContact O-N 3.35Å; Q74-L76 PolarHBondContact O-N 2.95Å; Q74-E77 PolarHBondContact O-N 2.93Å; Q74-D78 WeakPolarHBondContact O-CB 3.48Å; Q74-D78 PolarHBondContact O-N 3.38Å
75	A	60	Low	55.5	Low	51 Å²	51	123.9 Å²	123.9	42%	0.421	60%	0.603	S	S	.	*	H	α-helix	trans	-68	-20.9	177.6	0	0	0	0	0	114.1	L71 R73 K79	L71-A75 WeakPolarHBondContact O-CB 3.26Å; L71-A75 PolarHBondContact O-N 2.97Å; R73-A75 VanDerWaalsContact C-N 3.34Å; A75-K79 WeakPolarHBondContact O-CG 3.47Å
76	L	58.4	Low	55.2	Low	107 Å²	107	125.5 Å²	125.5	56%	0.56	61%	0.612	S	S	*	*	H	α-helix	trans	-83.4	-41.1	173	-77.2	162.5	0	0	0	111.4	E72 R73 Q74 K79 E80	E72-L76 WeakPolarHBondContact O-CD1 3.37Å; E72-L76 VanDerWaalsContact O-CG 3.29Å; E72-L76 WeakPolarHBondContact O-CG 3.33Å; E72-L76 PolarHBondContact O-N 2.97Å; E72-L76 VanDerWaalsContact O-N 3.14Å; R73-L76 PolarHBondContact O-N 3.08Å; Q74-L76 PolarHBondContact O-N 2.95Å; L76-K79 PolarHBondContact O-N 3.32Å; L76-E80 PolarHBondContact O-N 3.28Å; L76-E80 VanDerWaalsContact O-N 3.13Å
77	E	56.9	Low	54.2	Low	114 Å²	114	128 Å²	128	53%	0.533	63%	0.629	S	S	.	*	H	α-helix	trans	-67.9	-35.9	177	-72.7	174.2	-176.4	0	0	112.4	R73 Q74 K79 E80 R81	R73-E77 WeakPolarHBondContact O-CG 3.41Å; R73-E77 PolarHBondContact O-N 3.13Å; Q74-E77 PolarHBondContact O-N 2.93Å; E77-K79 VanDerWaalsContact C-N 3.34Å; E77-E80 PolarHBondContact O-N 3.14Å; E77-R81 PolarHBondContact O-N 2.62Å
78	D	53.9	Low	52.5	Low	94 Å²	94	128.3 Å²	128.3	50%	0.503	65%	0.646	S	S	.	*	H	α-helix	trans	-71	-30.2	174.9	-73.1	-22.9	0	0	0	112.2	Q74 R81 D82	Q74-D78 WeakPolarHBondContact O-CB 3.48Å; Q74-D78 PolarHBondContact O-N 3.38Å; D78-R81 PolarHBondContact O-N 2.92Å; D78-D82 PolarHBondContact O-N 3.06Å
79	K	49.4	Very low	51.2	Low	148 Å²	148	133.6 Å²	133.6	64%	0.643	67%	0.668	S	S	*	*	H	α-helix	trans	-72.3	-31.7	173.7	-90.5	178.2	179.7	165.4	0	113.5	A75 L76 E77	A75-K79 WeakPolarHBondContact O-CG 3.47Å; L76-K79 PolarHBondContact O-N 3.32Å; E77-K79 VanDerWaalsContact C-N 3.34Å
80	E	47	Very low	49.3	Very low	139 Å²	139	130.2 Å²	130.2	65%	0.65	68%	0.676	S	S	*	*	H	α-helix	trans	-75.5	-29.9	175.4	-73.2	-176.2	169	0	0	111.3	L76 E77 E83	L76-E80 PolarHBondContact O-N 3.28Å; L76-E80 VanDerWaalsContact O-N 3.13Å; E77-E80 PolarHBondContact O-N 3.14Å; E80-E83 PolarHBondContact O-N 2.61Å
81	R	45	Very low	47.8	Very low	192 Å²	192	132.3 Å²	132.3	73%	0.725	69%	0.692	S	S	*	*	H	α-helix	trans	-68.8	-35	173.1	-90.3	179.6	170.6	168.9	-1.4	114.4	E77 D78 E83	E77-R81 PolarHBondContact O-N 2.62Å; D78-R81 PolarHBondContact O-N 2.92Å; R81-E83 PolarHBondContact O-N 2.81Å
82	D	45.1	Very low	46.2	Very low	144 Å²	144	130.8 Å²	130.8	77%	0.77	70%	0.701	S	S	*	*	T	Hydrogen-bonded Turn	trans	-73.9	-11.8	176.9	-79.7	-18.7	0	0	0	113.4	D78	D78-D82 PolarHBondContact O-N 3.06Å
83	E	41	Very low	44.5	Very low	159 Å²	159	132.4 Å²	132.4	74%	0.743	71%	0.714	S	S	*	*	T	Hydrogen-bonded Turn	trans	-91.8	-9.7	177.9	-73.1	-165.5	161.8	0	0	114.1	E80 R81	E80-E83 PolarHBondContact O-N 2.61Å; R81-E83 PolarHBondContact O-N 2.81Å
84	D	36.5	Very low	42.8	Very low	141 Å²	141	128.5 Å²	128.5	75%	0.754	72%	0.72	S	S	*	*	S	Bend	trans	-104.4	0.7	-173.8	-87	-18.1	0	0	0	115.3
85	D	35.8	Very low	41.3	Very low	160 Å²	160	128 Å²	128	86%	0.856	74%	0.736	S	S	*	*	S	Bend	trans	-105.2	33.3	-172.9	-108.8	-4.4	0	0	0	115.1
86	D	43.4	Very low	40.5	Very low	149 Å²	149	132.9 Å²	132.9	80%	0.797	76%	0.76	S	S	*	*			trans	-141.7	76.9	168.3	-164.9	43.1	0	0	0	111.9
87	D	36.4	Very low	39.4	Very low	174 Å²	174	130.9 Å²	130.9	93%	0.93	77%	0.766	S	S	*	*			trans	-144	96.3	159.1	-94.6	-35.2	0	0	0	110.5
88	G	29.7	Very low	38.6	Very low	76 Å²	76	135.9 Å²	135.9	78%	0.784	79%	0.786	S	S	*	*			trans	-115.1	92	169.2	0	0	0	0	0	111.9
89	D	33.6	Very low	37.7	Very low	159 Å²	159	141.4 Å²	141.4	85%	0.85	81%	0.805	S	S	*	*			trans	45.2	119.7	148.1	-144	7.1	0	0	0	122.1
90	A	31.3	Very low	37.3	Very low	99 Å²	99	143.8 Å²	143.8	82%	0.818	82%	0.815	S	S	*	*			trans	-169.4	118.3	137.6	0	0	0	0	0	111.9
91	D	36.9	Very low	37	Very low	169 Å²	169	147.3 Å²	147.3	90%	0.904	83%	0.829	S	S	*	*			trans	-63.6	144.7	175.9	-141.9	-16.3	0	0	0	113.3
92	G	29.6	Very low	36.8	Very low	73 Å²	73	147.9 Å²	147.9	75%	0.753	84%	0.837	S	S	*	*			trans	166.8	97.8	178	0	0	0	0	0	116.9
93	D	33	Very low	36.7	Very low	168 Å²	168	150.6 Å²	150.6	90%	0.898	84%	0.841	S	S	*	*			trans	-32.8	143.2	177.2	-158.6	16.7	0	0	0	120.7
94	G	32.3	Very low	36.9	Very low	67 Å²	67	152.6 Å²	152.6	69%	0.691	85%	0.848	S	S	*	*			trans	68.5	100.9	141	0	0	0	0	0	121.7
95	A	32.3	Very low	37.2	Very low	105 Å²	105	155.4 Å²	155.4	87%	0.868	85%	0.853	S	S	*	*				167.7	132.7	124.6	0	0	0	0	0	112.8	G97	A95-G97 PolarHBondContact O-N 3.07Å
96	T	42.8	Very low	37.7	Very low	153 Å²	153	157.6 Å²	157.6	94%	0.939	86%	0.855	S	S	*	*			trans	-58.9	117.9	176.3	46.8	0	0	0	0	113.3
97	G	34.5	Very low	38.5	Very low	65 Å²	65	162 Å²	162	67%	0.67	86%	0.86	S	S	*	*			trans	-153.5	120.3	170.8	0	0	0	0	0	112.3	A95 K99	A95-G97 PolarHBondContact O-N 3.07Å; G97-K99 PolarHBondContact O-N 3.45Å
98	K	41.1	Very low	40	Very low	219 Å²	219	156.3 Å²	156.3	95%	0.952	84%	0.843	S	S	*	*			trans	-53.1	104.6	175.7	-81.5	173.6	173	171.2	0	111.2	K100	K98-K100 PolarHBondContact O-N 2.77Å; K98-K100 VanDerWaalsContact O-N 3.09Å
99	K	36	Very low	42.2	Very low	211 Å²	211	158.7 Å²	158.7	92%	0.917	84%	0.844	S	S	*	*			trans	-67.8	102.3	169.1	-92.5	179.6	177.1	173.7	0	109.7	G97 K101	G97-K99 PolarHBondContact O-N 3.45Å; K99-K101 PolarHBondContact O-N 2.92Å
100	K	40.5	Very low	44.9	Very low	197 Å²	197	157 Å²	157	86%	0.857	83%	0.829	S	S	*	*			trans	-59.4	119.8	160.9	-89.9	177.5	173.6	172.9	0	108.2	K98 K102	K98-K100 PolarHBondContact O-N 2.77Å; K98-K100 VanDerWaalsContact O-N 3.09Å; K100-K102 PolarHBondContact O-N 2.86Å
101	K	40	Very low	48	Very low	213 Å²	213	157.7 Å²	157.7	93%	0.926	82%	0.823	S	S	*	*			trans	-52.6	103.7	165.6	-91.4	-177.3	172.8	179.4	0	108.7	K99 K103	K99-K101 PolarHBondContact O-N 2.92Å; K101-K103 PolarHBondContact O-N 2.84Å
102	K	41.5	Very low	50.9	Low	205 Å²	205	151.8 Å²	151.8	89%	0.891	79%	0.79	S	S	*	*			trans	-65.3	112.6	166.7	-96	179.9	175.1	173.8	0	106.8	K100 K104	K100-K102 PolarHBondContact O-N 2.86Å; K102-K104 PolarHBondContact O-N 3.17Å; K102-K104 VanDerWaalsContact O-N 3.16Å
103	K	42	Very low	54.2	Low	200 Å²	200	151.2 Å²	151.2	87%	0.87	77%	0.772	S	S	*	*			trans	-51	119.7	166.3	-87.1	178.7	170.1	177.3	0	108.2	K101 K105	K101-K103 PolarHBondContact O-N 2.84Å; K103-K105 PolarHBondContact O-N 2.8Å
104	K	45.7	Very low	57.2	Low	202 Å²	202	150.6 Å²	150.6	88%	0.878	77%	0.769	S	S	*	*			trans	-51.7	110	164.3	-99.4	177.6	176.1	171.2	0	106.2	K102 K106	K102-K104 PolarHBondContact O-N 3.17Å; K102-K104 VanDerWaalsContact O-N 3.16Å; K104-K106 PolarHBondContact O-N 2.94Å
105	K	43.2	Very low	60.3	Low	199 Å²	199	151 Å²	151	87%	0.865	76%	0.759	S	S	*	*			trans	-56.1	124.1	168	-99.9	-179.8	172.1	-179.8	0	105.8	K103 R107	K103-K105 PolarHBondContact O-N 2.8Å; K105-R107 PolarHBondContact O-N 2.76Å
106	K	47	Very low	63.5	Low	206 Å²	206	146.9 Å²	146.9	90%	0.896	72%	0.724	S	S	*	*			trans	-51.2	113.9	166.2	-75.2	-174.4	175	-174.3	0	106.4	K104 G108	K104-K106 PolarHBondContact O-N 2.94Å; K106-G108 PolarHBondContact O-N 2.9Å
107	R	60.3	Low	66.2	Low	242 Å²	242	142.4 Å²	142.4	91%	0.913	70%	0.699	S	S	*	*	P	Polyproline II helix	trans	-58.2	127	172.7	-83.9	179.4	162.3	177.9	-5.5	105.9	K105	K105-R107 PolarHBondContact O-N 2.76Å
108	G	66	Low	69.2	Low	54 Å²	54	140.4 Å²	140.4	56%	0.557	67%	0.674	S	S	*	*	P	Polyproline II helix	trans	-60.4	171.4	174.6	0	0	0	0	0	111	K106 K110	K106-G108 PolarHBondContact O-N 2.9Å; G108-K110 PolarHBondContact O-N 3.37Å
109	P	77	Confident	72	Confident	126 Å²	126	131.2 Å²	131.2	82%	0.818	64%	0.636	S	S	*	*	P	Polyproline II helix	trans	-51.5	135.5	173.3	21.2	-30.5	0	0	0	110
110	K	90.3	Very high	75	Confident	123 Å²	123	121.1 Å²	121.1	54%	0.535	59%	0.592	S	S	.	*	P	Polyproline II helix	trans	-61.9	137.1	173.1	-77.9	-179.4	175.4	173.6	0	107.8	G108 V118 D122 L123	G108-K110 PolarHBondContact O-N 3.37Å; K110-V118 HydrophobicContact CD-CG1 4.39Å; K110-D122 HydrophobicContact CD-CB 4.1Å; K110-D122 IonicContact NZ-OD2 3.89Å; K110-D122 PolarHBondContact NZ-OD2 3.22Å; K110-L123 HydrophobicContact CB-CD2 4.42Å
111	V	96.4	Very high	77.7	Confident	114 Å²	114	113.3 Å²	113.3	69%	0.691	56%	0.562	S	S	*	*			trans	-116.6	149.9	176.4	-176.7	0	0	0	0	107.2
112	Q	98.2	Very high	80.5	Confident	45 Å²	45	105.5 Å²	105.5	21%	0.21	53%	0.531	C	S	.	.			trans	-60.6	147.5	174.7	-171.2	54.8	-88.8	0	0	111.2	P116 V118 L123	Q112-P116 HydrophobicContact CG-CB 4.08Å; Q112-V118 PolarHBondContact NE2-O 3.44Å; Q112-L123 HydrophobicContact CB-CD1 4.27Å
113	T	98.3	Very high	83.2	Confident	61 Å²	61	97.3 Å²	97.3	37%	0.374	50%	0.496	S	S	.	.			trans	-89.3	168.1	176	53.6	0	0	0	0	112	P115 P116 S117 V118	T113-P115 CarbonylContact C-O 3.58Å; T113-P115 VanDerWaalsContact C-O 3.24Å; T113-P115 WeakPolarHBondContact CB-O 3.45Å; T113-P115 CarbonylContact O-C 3.58Å; T113-P115 VanDerWaalsContact O-C 3.28Å; T113-P115 PolarHBondContact OG1-O 3.5Å; T113-P116 WeakPolarHBondContact O-CA 3.44Å; T113-S117 PolarHBondContact OG1-N 3.33Å; T113-S117 PolarHBondContact OG1-OG 3Å; T113-V118 HydrophobicContact CG2-CG2 4.06Å
114	D	96.6	Very high	85.9	Confident	156 Å²	156	91 Å²	91	83%	0.834	47%	0.467	S	S	*	.	S	Bend	trans	-124.9	108.2	168.3	-174.3	11.4	0	0	0	109
115	P	97.7	Very high	88.3	Confident	74 Å²	74	87.1 Å²	87.1	48%	0.481	46%	0.463	S	S	.	.	S	Bend	cis	-69.7	160.4	2.5	30.9	-36.8	0	0	0	113.4	T113 S117 Y182	T113-P115 CarbonylContact C-O 3.58Å; T113-P115 VanDerWaalsContact C-O 3.24Å; T113-P115 WeakPolarHBondContact CB-O 3.45Å; T113-P115 CarbonylContact O-C 3.58Å; T113-P115 VanDerWaalsContact O-C 3.28Å; T113-P115 PolarHBondContact OG1-O 3.5Å; P115-S117 PolarHBondContact O-N 2.99Å; P115-Y182 HydrophobicContact CB-CD2 4.45Å; P115-Y182 HydrophobicContact CB-CE2 3.63Å
116	P	98.6	Very high	90.9	Very high	20 Å²	20	83 Å²	83	13%	0.13	45%	0.45	C	S	.	.			trans	-61.1	133.8	-179.7	-23	33.8	0	0	0	112.7	Q112 T113 Y182 L207	Q112-P116 HydrophobicContact CG-CB 4.08Å; T113-P116 WeakPolarHBondContact O-CA 3.44Å; P116-Y182 HydrophobicContact CG-CD2 4.29Å; P116-Y182 HydrophobicContact CG-CG 4.12Å; P116-L207 HydrophobicContact CB-CD1 3.89Å; P116-L207 HydrophobicContact CB-CD2 3.92Å; P116-L207 HydrophobicContact CB-CG 4.35Å
117	S	98.5	Very high	93.4	Very high	59 Å²	59	75 Å²	75	41%	0.413	43%	0.425	S	S	.	.			trans	-151.4	-10.6	178.8	70.7	0	0	0	0	114.9	T113 P115 P119	T113-S117 PolarHBondContact OG1-N 3.33Å; T113-S117 PolarHBondContact OG1-OG 3Å; P115-S117 PolarHBondContact O-N 2.99Å; S117-P119 WeakPolarHBondContact O-CD 3.35Å
118	V	98.7	Very high	95.2	Very high	23 Å²	23	67.2 Å²	67.2	14%	0.139	41%	0.405	C	S	.	.	S	Bend	trans	-85.5	122.1	178.9	-176.3	0	0	0	0	108.2	K110 Q112 T113 D122 L123 L207	K110-V118 HydrophobicContact CD-CG1 4.39Å; Q112-V118 PolarHBondContact NE2-O 3.44Å; T113-V118 HydrophobicContact CG2-CG2 4.06Å; V118-D122 HydrophobicContact CG1-CB 3.8Å; V118-L123 HydrophobicContact CB-CD2 4.11Å; V118-L123 HydrophobicContact CG1-CD2 3.66Å; V118-L123 HydrophobicContact CG1-CG 4.07Å; V118-L207 VanDerWaalsContact O-CD2 3.25Å; V118-L207 WeakPolarHBondContact O-CD2 3.15Å
119	P	98.9	Very high	96.7	Very high	25 Å²	25	65.3 Å²	65.3	16%	0.162	38%	0.381	C	S	.	.			trans	-53.3	148.3	175.3	-28.3	36	0	0	0	113.2	S117 C121 D122 L123 L207 K209	S117-P119 WeakPolarHBondContact O-CD 3.35Å; P119-C121 PolarHBondContact O-N 3.49Å; P119-D122 HydrophobicContact CB-CB 4.43Å; P119-D122 WeakPolarHBondContact O-CB 3.4Å; P119-D122 PolarHBondContact O-N 2.82Å; P119-L123 PolarHBondContact O-N 3.02Å; P119-L207 WeakPolarHBondContact CA-O 3.48Å; P119-K209 HydrophobicContact CB-CB 4.1Å; P119-K209 HydrophobicContact CB-CD 4.29Å; P119-K209 HydrophobicContact CG-CB 4.43Å; P119-K209 HydrophobicContact CG-CD 4.46Å; P119-K209 HydrophobicContact CG-CG 4.49Å
120	I	98.8	Very high	97.8	Very high	0 Å²	0	61.1 Å²	61.1	0%	0	35%	0.354	C	S	.	.	H	α-helix	trans	-60.9	-44.5	-179.2	-59.6	-47.4	0	0	0	111.3	D122 L123 Y124 F129 E171 E174 A175 Q178 L207	I120-D122 PolarHBondContact O-N 3.06Å; I120-L123 HydrophobicContact CD1-CD1 4.17Å; I120-L123 WeakPolarHBondContact O-CB 3.44Å; I120-L123 PolarHBondContact O-N 3.37Å; I120-Y124 HydrophobicContact CG2-CD2 3.95Å; I120-Y124 HydrophobicContact CG2-CE2 4.14Å; I120-Y124 WeakPolarHBondContact O-CD2 3.31Å; I120-Y124 PolarHBondContact O-N 2.77Å; I120-F129 HydrophobicContact CG2-CD1 3.83Å; I120-F129 HydrophobicContact CG2-CE1 3.85Å; I120-E171 HydrophobicContact CB-CG 4.26Å; I120-E171 HydrophobicContact CG2-CG 4.04Å; I120-E174 HydrophobicContact CD1-CG 4.09Å; I120-E174 HydrophobicContact CG1-CG 4.43Å; I120-E174 HydrophobicContact CG2-CB 3.9Å; I120-E174 HydrophobicContact CG2-CG 3.79Å; I120-A175 HydrophobicContact CG1-CB 3.72Å; I120-Q178 HydrophobicContact CD1-CG 4.42Å; I120-L207 HydrophobicContact CD1-CB 4.39Å; I120-L207 HydrophobicContact CG1-CB 4.4Å; I120-L207 WeakPolarHBondContact CG1-O 3.48Å; I120-L207 PolarHBondContact N-O 3.07Å
121	C	98.6	Very high	98.2	Very high	32 Å²	32	60 Å²	60	22%	0.216	35%	0.35	C	S	.	.	H	α-helix	trans	-52.2	-31.8	174.8	67.7	0	0	0	0	113.9	P119 Y124 F129 E171 K209	P119-C121 PolarHBondContact O-N 3.49Å; C121-Y124 CarbonylContact O-C 3.39Å; C121-Y124 PolarHBondContact O-N 2.87Å; C121-F129 HydrophobicContact CB-CZ 4.46Å; C121-E171 WeakPolarHBondContact CB-OE1 3Å; C121-E171 PolarHBondContact N-OE1 3.09Å; C121-K209 VanDerWaalsContact SG-CD 3.51Å
122	D	98.3	Very high	98.3	Very high	50 Å²	50	55.4 Å²	55.4	27%	0.267	33%	0.325	S	S	.	.	H	α-helix	trans	-79.8	-21	-178.9	-82.5	26.4	0	0	0	112.8	K110 V118 P119 I120	K110-D122 HydrophobicContact CD-CB 4.1Å; K110-D122 IonicContact NZ-OD2 3.89Å; K110-D122 PolarHBondContact NZ-OD2 3.22Å; V118-D122 HydrophobicContact CG1-CB 3.8Å; P119-D122 HydrophobicContact CB-CB 4.43Å; P119-D122 WeakPolarHBondContact O-CB 3.4Å; P119-D122 PolarHBondContact O-N 2.82Å; I120-D122 PolarHBondContact O-N 3.06Å
123	L	98.3	Very high	98.3	Very high	32 Å²	32	57.4 Å²	57.4	17%	0.168	33%	0.334	C	S	.	.	H	α-helix	trans	-80.6	-27.1	173.5	-59.5	177.6	0	0	0	111.7	K110 Q112 V118 P119 I120 P125	K110-L123 HydrophobicContact CB-CD2 4.42Å; Q112-L123 HydrophobicContact CB-CD1 4.27Å; V118-L123 HydrophobicContact CB-CD2 4.11Å; V118-L123 HydrophobicContact CG1-CD2 3.66Å; V118-L123 HydrophobicContact CG1-CG 4.07Å; P119-L123 PolarHBondContact O-N 3.02Å; I120-L123 HydrophobicContact CD1-CD1 4.17Å; I120-L123 WeakPolarHBondContact O-CB 3.44Å; I120-L123 PolarHBondContact O-N 3.37Å; L123-P125 VanDerWaalsContact C-CD 3.44Å; L123-P125 VanDerWaalsContact O-CD 3.25Å; L123-P125 WeakPolarHBondContact O-CD 3.48Å
124	Y	98.2	Very high	98.4	Very high	68 Å²	68	58.8 Å²	58.8	27%	0.267	34%	0.337	S	S	.	.			trans	-118.2	70.7	-179.9	-60.6	-88.9	0	0	0	110.8	I120 C121 N126 G127 V128 F129 P130 E174	I120-Y124 HydrophobicContact CG2-CD2 3.95Å; I120-Y124 HydrophobicContact CG2-CE2 4.14Å; I120-Y124 WeakPolarHBondContact O-CD2 3.31Å; I120-Y124 PolarHBondContact O-N 2.77Å; C121-Y124 CarbonylContact O-C 3.39Å; C121-Y124 PolarHBondContact O-N 2.87Å; Y124-N126 PolarHBondContact O-N 2.87Å; Y124-G127 PolarHBondContact O-N 2.84Å; Y124-V128 WeakPolarHBondContact CD1-O 3.39Å; Y124-F129 AromaticContact CD2-CD1 3.81Å; Y124-F129 HydrophobicContact CD2-CD1 3.81Å; Y124-F129 HydrophobicContact CD2-CE1 4.17Å; Y124-F129 AromaticContact CG-CD1 3.91Å; Y124-F129 HydrophobicContact CG-CD1 3.91Å; Y124-F129 HydrophobicContact CG-CE1 4.29Å; Y124-P130 HydrophobicContact CE1-CG 4.31Å; Y124-E174 HydrophobicContact CE2-CG 4.07Å
125	P	97.4	Very high	98.4	Very high	120 Å²	120	53 Å²	53	78%	0.779	31%	0.308	S	S	*	.	T	Hydrogen-bonded Turn	trans	-66.4	-10.2	-173.6	28.3	-37.2	0	0	0	114.4	L123 G127	L123-P125 VanDerWaalsContact C-CD 3.44Å; L123-P125 VanDerWaalsContact O-CD 3.25Å; L123-P125 WeakPolarHBondContact O-CD 3.48Å; P125-G127 VanDerWaalsContact C-N 3.28Å
126	N	97.6	Very high	98.5	Very high	114 Å²	114	54 Å²	54	61%	0.61	31%	0.306	S	S	*	.	T	Hydrogen-bonded Turn	trans	-82.4	-4.8	171.9	64.5	-12.6	0	0	0	112.9	Y124 V128	Y124-N126 PolarHBondContact O-N 2.87Å; N126-V128 PolarHBondContact O-N 2.93Å; N126-V128 PolarHBondContact OD1-N 3.18Å; N126-V128 VanDerWaalsContact OD1-N 3.08Å; N126-V128 PolarHBondContact OD1-O 3.25Å
127	G	98	Very high	98.5	Very high	36 Å²	36	53.6 Å²	53.6	37%	0.371	30%	0.302	S	S	.	.	S	Bend	trans	68.1	18.8	-176.5	0	0	0	0	0	113.8	Y124 P125 N167	Y124-G127 PolarHBondContact O-N 2.84Å; P125-G127 VanDerWaalsContact C-N 3.28Å; G127-N167 PolarHBondContact O-ND2 3.34Å
128	V	98.5	Very high	98.4	Very high	80 Å²	80	52.7 Å²	52.7	49%	0.485	30%	0.295	S	S	.	.			trans	-114.4	110	178.4	-177.3	0	0	0	0	108.9	Y124 N126	Y124-V128 WeakPolarHBondContact CD1-O 3.39Å; N126-V128 PolarHBondContact O-N 2.93Å; N126-V128 PolarHBondContact OD1-N 3.18Å; N126-V128 VanDerWaalsContact OD1-N 3.08Å; N126-V128 PolarHBondContact OD1-O 3.25Å
129	F	98.8	Very high	98.2	Very high	14 Å²	14	55.6 Å²	55.6	6%	0.061	31%	0.314	C	S	.	.	P	Polyproline II helix	trans	-91.8	154	-174.1	-59.9	-72.9	0	0	0	111.9	I120 C121 Y124 K131 N167 R170 E171	I120-F129 HydrophobicContact CG2-CD1 3.83Å; I120-F129 HydrophobicContact CG2-CE1 3.85Å; C121-F129 HydrophobicContact CB-CZ 4.46Å; Y124-F129 AromaticContact CD2-CD1 3.81Å; Y124-F129 HydrophobicContact CD2-CD1 3.81Å; Y124-F129 HydrophobicContact CD2-CE1 4.17Å; Y124-F129 AromaticContact CG-CD1 3.91Å; Y124-F129 HydrophobicContact CG-CD1 3.91Å; Y124-F129 HydrophobicContact CG-CE1 4.29Å; F129-K131 PolarHBondContact O-N 3.06Å; F129-N167 VanDerWaalsContact CD2-ND2 3.34Å; F129-N167 WeakPolarHBondContact CD2-ND2 3.41Å; F129-N167 WeakPolarHBondContact CD2-O 3.49Å; F129-N167 WeakPolarHBondContact CD2-OD1 3.41Å; F129-N167 PolarHBondContact N-OD1 3.35Å; F129-R170 HydrophobicContact CB-CB 3.71Å; F129-E171 HydrophobicContact CB-CB 4.46Å; F129-E171 HydrophobicContact CD1-CB 3.94Å; F129-E171 HydrophobicContact CD1-CG 4.03Å; F129-E171 HydrophobicContact CD2-CB 3.55Å; F129-E171 HydrophobicContact CD2-CG 4.27Å; F129-E171 HydrophobicContact CE1-CB 4Å; F129-E171 HydrophobicContact CE1-CG 3.68Å; F129-E171 HydrophobicContact CE2-CB 3.63Å; F129-E171 HydrophobicContact CE2-CG 3.94Å; F129-E171 VanDerWaalsContact CE2-OE2 3.27Å; F129-E171 WeakPolarHBondContact CE2-OE2 3.2Å; F129-E171 HydrophobicContact CG-CB 3.71Å; F129-E171 HydrophobicContact CG-CG 4.31Å; F129-E171 HydrophobicContact CZ-CB 3.86Å; F129-E171 HydrophobicContact CZ-CG 3.63Å; F129-E171 WeakPolarHBondContact CZ-OE1 3.45Å; F129-E171 WeakPolarHBondContact CZ-OE2 3.36Å
130	P	98.8	Very high	98	Very high	38 Å²	38	58 Å²	58	25%	0.247	33%	0.328	C	S	.	.	P	Polyproline II helix	trans	-65.8	129.3	-175.6	26.9	-34	0	0	0	110.7	Y124 R170 E174	Y124-P130 HydrophobicContact CE1-CG 4.31Å; P130-R170 WeakPolarHBondContact O-CB 3.17Å; P130-R170 WeakPolarHBondContact O-CG 3.15Å; P130-E174 HydrophobicContact CG-CB 4.2Å; P130-E174 HydrophobicContact CG-CG 4.09Å; P130-E174 WeakPolarHBondContact CG-OE2 3.44Å
131	K	98.9	Very high	97.5	Very high	100 Å²	100	66.6 Å²	66.6	44%	0.435	37%	0.369	S	S	.	.	P	Polyproline II helix	trans	-58.8	151.2	169.7	-58.8	-168.2	169.1	-174.5	0	110.9	F129 E134 E470	F129-K131 PolarHBondContact O-N 3.06Å; K131-E134 HydrophobicContact CD-CG 4.46Å; K131-E134 VanDerWaalsContact CD-OE1 3.31Å; K131-E134 WeakPolarHBondContact CD-OE1 3.34Å; K131-E134 IonicContact NZ-OE1 2.77Å; K131-E134 PolarHBondContact NZ-OE1 2.68Å; K131-E134 IonicContact NZ-OE2 2.66Å; K131-E470 WeakPolarHBondContact CA-OE1 3.4Å
132	G	98.8	Very high	97.1	Very high	17 Å²	17	69.7 Å²	69.7	18%	0.175	38%	0.383	C	S	.	.			trans	-76.1	-161.8	165.1	0	0	0	0	0	112.6	E134 E470	G132-E134 PolarHBondContact O-N 2.99Å; G132-E470 PolarHBondContact N-OE1 3.36Å
133	Q	98.8	Very high	96.8	Very high	87 Å²	87	69.9 Å²	69.9	41%	0.407	40%	0.396	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.7	111.9	175.6	-179.9	-171.8	18.1	0	0	110.2	E470 V471 R474	Q133-E470 CarbonylContact O-C 3.46Å; Q133-E470 WeakPolarHBondContact O-CA 3.3Å; Q133-V471 HydrophobicContact CB-CB 4.22Å; Q133-V471 PolarHBondContact N-O 3.45Å; Q133-V471 PolarHBondContact O-N 3.13Å; Q133-R474 HydrophobicContact CB-CB 4.03Å; Q133-R474 HydrophobicContact CB-CG 4.03Å
134	E	98.8	Very high	96.4	Very high	90 Å²	90	76.8 Å²	76.8	42%	0.421	42%	0.42	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.7	130.2	172.4	-66.5	-179.8	137.2	0	0	110.7	K131 G132 R465 E470	K131-E134 HydrophobicContact CD-CG 4.46Å; K131-E134 VanDerWaalsContact CD-OE1 3.31Å; K131-E134 WeakPolarHBondContact CD-OE1 3.34Å; K131-E134 IonicContact NZ-OE1 2.77Å; K131-E134 PolarHBondContact NZ-OE1 2.68Å; K131-E134 IonicContact NZ-OE2 2.66Å; G132-E134 PolarHBondContact O-N 2.99Å; E134-R465 IonicContact OE1-CZ 3.27Å; E134-R465 IonicContact OE1-NH1 3.38Å; E134-R465 PolarHBondContact OE1-NH1 3.28Å; E134-R465 IonicContact OE1-NH2 3.67Å; E134-E470 HydrophobicContact CG-CG 4.39Å
135	C	98.6	Very high	96.3	Very high	35 Å²	35	77.4 Å²	77.4	24%	0.236	43%	0.431	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126	142.3	-178.5	-66.2	0	0	0	0	110.2	C468 K469	C135-C468 WeakPolarHBondContact O-CB 3.31Å; C135-K469 HydrophobicContact CB-CB 4.42Å; C135-K469 PolarHBondContact N-O 2.97Å; C135-K469 PolarHBondContact O-N 3.14Å
136	E	98.3	Very high	96.2	Very high	95 Å²	95	72.1 Å²	72.1	44%	0.444	40%	0.398	S	S	.	.	P	Polyproline II helix	trans	-62.8	143.4	161.4	-169	177.1	138.3	0	0	109.3	A146 A147	E136-A146 HydrophobicContact CG-CB 4.12Å; E136-A146 PolarHBondContact OE1-N 2.98Å; E136-A147 VanDerWaalsContact CD-N 3.31Å; E136-A147 PolarHBondContact OE1-N 3.36Å
137	Y	98.5	Very high	96.1	Very high	11 Å²	11	68.6 Å²	68.6	4%	0.043	38%	0.384	C	S	.	.	P	Polyproline II helix	trans	-63.7	152	173.2	-73.6	-72.5	0	0	0	111.5	A146 I293 L464 R465 C468 K469	Y137-A146 VanDerWaalsContact CB-CB 3.49Å; Y137-A146 HydrophobicContact CD2-CB 4.5Å; Y137-A146 HydrophobicContact CG-CB 4.48Å; Y137-I293 HydrophobicContact CE1-CB 4.47Å; Y137-I293 HydrophobicContact CE1-CD1 4.15Å; Y137-I293 HydrophobicContact CE1-CG1 3.86Å; Y137-I293 HydrophobicContact CE2-CD1 3.74Å; Y137-I293 HydrophobicContact CE2-CG1 4.35Å; Y137-I293 VanDerWaalsContact CZ-CD1 3.46Å; Y137-I293 VanDerWaalsContact OH-CD1 3.28Å; Y137-I293 WeakPolarHBondContact OH-CD1 3.16Å; Y137-L464 HydrophobicContact CE1-CD2 4.11Å; Y137-L464 WeakPolarHBondContact OH-CA 3.49Å; Y137-L464 PolarHBondContact OH-O 3.3Å; Y137-R465 WeakPolarHBondContact CE2-O 3.31Å; Y137-R465 PolarHBondContact OH-N 3.17Å; Y137-R465 VanDerWaalsContact OH-N 3.16Å; Y137-R465 PolarHBondContact OH-O 3.13Å; Y137-C468 VanDerWaalsContact CE2-C 3.45Å; Y137-C468 PolarHBondContact OH-O 3.24Å; Y137-K469 HydrophobicContact CD1-CB 4.02Å; Y137-K469 HydrophobicContact CE1-CB 3.71Å
138	P	96.4	Very high	96	Very high	39 Å²	39	73.1 Å²	73.1	25%	0.253	39%	0.39	S	S	.	.	P	Polyproline II helix	trans	-61.5	147.7	176.8	27	-34.6	0	0	0	111.1	V295	P138-V295 HydrophobicContact CG-CG2 4.04Å
139	P	95.9	Very high	96	Very high	84 Å²	84	70.4 Å²	70.4	55%	0.545	37%	0.371	S	S	.	.	P	Polyproline II helix	trans	-59.4	148.6	172.5	-21.4	32.4	0	0	0	111.9	R144	P139-R144 VanDerWaalsContact CA-O 3.22Å; P139-R144 WeakPolarHBondContact CA-O 3.31Å; P139-R144 WeakPolarHBondContact CB-O 3.43Å
140	T	93.6	Very high	95.7	Very high	75 Å²	75	73.1 Å²	73.1	46%	0.46	39%	0.389	S	S	.	.	P	Polyproline II helix	trans	-73.7	167.7	171.7	47	0	0	0	0	111.4	D142 G143 R144	T140-D142 WeakPolarHBondContact CB-OD1 3.36Å; T140-D142 PolarHBondContact O-N 3.41Å; T140-D142 VanDerWaalsContact O-N 3.15Å; T140-D142 PolarHBondContact OG1-OD1 3.49Å; T140-G143 WeakPolarHBondContact O-CA 3.15Å; T140-G143 PolarHBondContact O-N 2.76Å; T140-R144 PolarHBondContact N-O 3.49Å; T140-R144 VanDerWaalsContact N-O 3.08Å; T140-R144 WeakPolarHBondContact OG1-CB 3.12Å; T140-R144 PolarHBondContact OG1-O 2.59Å
141	Q	89	Confident	95.5	Very high	182 Å²	182	75.9 Å²	75.9	85%	0.85	41%	0.405	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.5	-27.5	-178.4	-73	-179.4	-24.6	0	0	114.1	G143	Q141-G143 PolarHBondContact O-N 3.31Å
142	D	90.2	Very high	95.5	Very high	97 Å²	97	72.3 Å²	72.3	52%	0.519	39%	0.393	S	S	.	.	T	Hydrogen-bonded Turn	trans	-82.5	6.6	174.6	67.8	-21	0	0	0	113.4	T140 R144	T140-D142 WeakPolarHBondContact CB-OD1 3.36Å; T140-D142 PolarHBondContact O-N 3.41Å; T140-D142 VanDerWaalsContact O-N 3.15Å; T140-D142 PolarHBondContact OG1-OD1 3.49Å; D142-R144 VanDerWaalsContact C-N 3.34Å; D142-R144 PolarHBondContact O-N 2.88Å; D142-R144 WeakPolarHBondContact OD2-CD 3.35Å; D142-R144 WeakPolarHBondContact OD2-CG 3.49Å; D142-R144 IonicContact OD2-CZ 2.78Å; D142-R144 VanDerWaalsContact OD2-CZ 3.31Å; D142-R144 IonicContact OD2-NE 2.83Å; D142-R144 PolarHBondContact OD2-NE 2.98Å; D142-R144 IonicContact OD2-NH2 3.22Å
143	G	91.8	Very high	95.4	Very high	53 Å²	53	78 Å²	78	55%	0.546	42%	0.415	S	S	.	.			trans	81.2	5.7	175.4	0	0	0	0	0	114.8	T140 Q141 T145	T140-G143 WeakPolarHBondContact O-CA 3.15Å; T140-G143 PolarHBondContact O-N 2.76Å; Q141-G143 PolarHBondContact O-N 3.31Å; G143-T145 PolarHBondContact O-N 2.83Å
144	R	90.3	Very high	95.4	Very high	177 Å²	177	80.2 Å²	80.2	67%	0.668	43%	0.425	S	S	*	.			trans	-69.1	133	177	-62.9	177.5	-172.4	-179.2	2.8	110.1	P139 T140 D142	P139-R144 VanDerWaalsContact CA-O 3.22Å; P139-R144 WeakPolarHBondContact CA-O 3.31Å; P139-R144 WeakPolarHBondContact CB-O 3.43Å; T140-R144 PolarHBondContact N-O 3.49Å; T140-R144 VanDerWaalsContact N-O 3.08Å; T140-R144 WeakPolarHBondContact OG1-CB 3.12Å; T140-R144 PolarHBondContact OG1-O 2.59Å; D142-R144 VanDerWaalsContact C-N 3.34Å; D142-R144 PolarHBondContact O-N 2.88Å; D142-R144 WeakPolarHBondContact OD2-CD 3.35Å; D142-R144 WeakPolarHBondContact OD2-CG 3.49Å; D142-R144 IonicContact OD2-CZ 2.78Å; D142-R144 VanDerWaalsContact OD2-CZ 3.31Å; D142-R144 IonicContact OD2-NE 2.83Å; D142-R144 PolarHBondContact OD2-NE 2.98Å; D142-R144 IonicContact OD2-NH2 3.22Å
145	T	94.9	Very high	95.4	Very high	82 Å²	82	77 Å²	77	50%	0.503	41%	0.41	S	S	.	.			trans	-78.9	162.1	175.4	67.8	0	0	0	0	110.9	G143	G143-T145 PolarHBondContact O-N 2.83Å
146	A	95.4	Very high	95.4	Very high	9 Å²	9	79.3 Å²	79.3	7%	0.074	42%	0.416	C	S	.	.	S	Bend	trans	-100	3.4	176.3	0	0	0	0	0	113.3	E136 Y137 W148 R149	E136-A146 HydrophobicContact CG-CB 4.12Å; E136-A146 PolarHBondContact OE1-N 2.98Å; Y137-A146 VanDerWaalsContact CB-CB 3.49Å; Y137-A146 HydrophobicContact CD2-CB 4.5Å; Y137-A146 HydrophobicContact CG-CB 4.48Å; A146-W148 PolarHBondContact O-N 2.81Å; A146-R149 WeakPolarHBondContact O-CB 3.47Å; A146-R149 PolarHBondContact O-N 3.46Å
147	A	95.2	Very high	95.4	Very high	39 Å²	39	77.9 Å²	77.9	32%	0.322	42%	0.42	S	S	.	.	H	α-helix	trans	-49.9	-26.5	177.2	0	0	0	0	0	114.4	E136 R149 T150	E136-A147 VanDerWaalsContact CD-N 3.31Å; E136-A147 PolarHBondContact OE1-N 3.36Å; A147-R149 VanDerWaalsContact C-N 3.26Å; A147-R149 PolarHBondContact O-N 3.19Å; A147-T150 WeakPolarHBondContact O-CB 3.28Å; A147-T150 PolarHBondContact O-N 2.95Å; A147-T150 PolarHBondContact O-OG1 3.45Å
148	W	97.1	Very high	95.4	Very high	131 Å²	131	81 Å²	81	50%	0.496	44%	0.437	S	S	.	.	H	α-helix	trans	-63.3	-29.8	176.1	72.5	-93.1	0	0	0	112.9	A146 T150 T151 S152 K155	A146-W148 PolarHBondContact O-N 2.81Å; W148-T150 VanDerWaalsContact C-N 3.29Å; W148-T150 PolarHBondContact O-N 3.43Å; W148-T151 PolarHBondContact O-N 2.69Å; W148-S152 VanDerWaalsContact O-CB 3.31Å; W148-S152 WeakPolarHBondContact O-CB 3.4Å; W148-S152 PolarHBondContact O-N 3.08Å; W148-K155 HydrophobicContact CZ3-CG 4.21Å
149	R	97.5	Very high	95.4	Very high	23 Å²	23	79.3 Å²	79.3	9%	0.087	43%	0.426	C	S	.	.	H	α-helix	trans	-65	-34.9	178.4	-71.9	-179.5	159.9	-82.7	3.8	111.8	A146 A147 T151 E357 P466	A146-R149 WeakPolarHBondContact O-CB 3.47Å; A146-R149 PolarHBondContact O-N 3.46Å; A147-R149 VanDerWaalsContact C-N 3.26Å; A147-R149 PolarHBondContact O-N 3.19Å; R149-T151 VanDerWaalsContact C-N 3.29Å; R149-T151 PolarHBondContact O-N 3.03Å; R149-E357 IonicContact CZ-OE2 2.78Å; R149-E357 IonicContact NH1-OE2 3.44Å; R149-E357 PolarHBondContact NH1-OE2 3.41Å; R149-E357 IonicContact NH2-OE2 3.4Å; R149-E357 PolarHBondContact NH2-OE2 2.97Å; R149-P466 PolarHBondContact NH1-O 2.8Å
150	T	93.9	Very high	95.6	Very high	72 Å²	72	81.5 Å²	81.5	44%	0.442	43%	0.429	S	S	.	.	H	α-helix	trans	-61.9	-36	-178.8	-47.3	0	0	0	0	112.4	A147 W148 K156	A147-T150 WeakPolarHBondContact O-CB 3.28Å; A147-T150 PolarHBondContact O-N 2.95Å; A147-T150 PolarHBondContact O-OG1 3.45Å; W148-T150 VanDerWaalsContact C-N 3.29Å; W148-T150 PolarHBondContact O-N 3.43Å; T150-K156 VanDerWaalsContact O-CE 3.3Å; T150-K156 WeakPolarHBondContact O-CE 3.17Å
151	T	94.3	Very high	95.8	Very high	95 Å²	95	81.9 Å²	81.9	58%	0.583	44%	0.44	S	S	*	.	H	α-helix	trans	-107.2	-13.5	-175.8	58.8	0	0	0	0	114	W148 R149 E153 K156	W148-T151 PolarHBondContact O-N 2.69Å; R149-T151 VanDerWaalsContact C-N 3.29Å; R149-T151 PolarHBondContact O-N 3.03Å; T151-E153 PolarHBondContact O-N 2.81Å; T151-K156 PolarHBondContact O-NZ 3.11Å
152	S	98.1	Very high	96.2	Very high	26 Å²	26	75 Å²	75	18%	0.182	41%	0.412	C	S	.	.			trans	-57.1	121.8	177.5	174.8	0	0	0	0	111.8	W148 E154 K155 K156	W148-S152 VanDerWaalsContact O-CB 3.31Å; W148-S152 WeakPolarHBondContact O-CB 3.4Å; W148-S152 PolarHBondContact O-N 3.08Å; S152-E154 VanDerWaalsContact C-N 3.33Å; S152-E154 PolarHBondContact O-N 2.79Å; S152-K155 PolarHBondContact O-N 3.29Å; S152-K156 WeakPolarHBondContact O-CG 3.41Å; S152-K156 PolarHBondContact O-N 3.48Å
153	E	97.7	Very high	96.6	Very high	135 Å²	135	72.3 Å²	72.3	63%	0.631	40%	0.396	S	S	*	.	H	α-helix	trans	-64.8	-36.7	-178.6	-65.5	-58.9	121.2	0	0	112.3	T151 K156 A157	T151-E153 PolarHBondContact O-N 2.81Å; E153-K156 IonicContact OE1-NZ 3.17Å; E153-K156 PolarHBondContact OE1-NZ 2.9Å; E153-A157 WeakPolarHBondContact O-CB 3.32Å; E153-A157 PolarHBondContact O-N 3.39Å
154	E	98.3	Very high	97	Very high	134 Å²	134	77.7 Å²	77.7	63%	0.626	41%	0.407	S	S	*	.	H	α-helix	trans	-60.6	-48.1	173.7	-176.6	-159.9	171.2	0	0	110.9	S152 A157 L158	S152-E154 VanDerWaalsContact C-N 3.33Å; S152-E154 PolarHBondContact O-N 2.79Å; E154-A157 PolarHBondContact O-N 2.93Å; E154-L158 PolarHBondContact O-N 3.24Å
155	K	98.3	Very high	97.4	Very high	24 Å²	24	71.7 Å²	71.7	10%	0.104	39%	0.388	C	S	.	.	H	α-helix	trans	-69.9	-37.8	-177.4	-63.8	-61.4	175.8	-173.2	0	111.8	W148 S152 L158 D159 E357 P466 T467	W148-K155 HydrophobicContact CZ3-CG 4.21Å; S152-K155 PolarHBondContact O-N 3.29Å; K155-L158 PolarHBondContact O-N 2.86Å; K155-D159 VanDerWaalsContact O-CB 3.28Å; K155-D159 WeakPolarHBondContact O-CB 3.39Å; K155-D159 PolarHBondContact O-N 3.28Å; K155-E357 WeakPolarHBondContact CE-OE2 3.35Å; K155-E357 IonicContact NZ-OE1 3.85Å; K155-E357 PolarHBondContact NZ-OE1 3.32Å; K155-E357 IonicContact NZ-OE2 3.29Å; K155-E357 PolarHBondContact NZ-OE2 3.36Å; K155-P466 HydrophobicContact CB-CB 4.12Å; K155-P466 HydrophobicContact CD-CB 3.96Å; K155-P466 WeakPolarHBondContact O-CB 3.41Å; K155-T467 HydrophobicContact CB-CG2 4.25Å
156	K	98.3	Very high	97.6	Very high	83 Å²	83	68.2 Å²	68.2	36%	0.361	37%	0.365	S	S	.	.	H	α-helix	trans	-60.1	-44.6	171.3	-73.1	176	-171.7	160.3	0	112.3	T150 T151 S152 E153 L158 D159 Q160 T467	T150-K156 VanDerWaalsContact O-CE 3.3Å; T150-K156 WeakPolarHBondContact O-CE 3.17Å; T151-K156 PolarHBondContact O-NZ 3.11Å; S152-K156 WeakPolarHBondContact O-CG 3.41Å; S152-K156 PolarHBondContact O-N 3.48Å; E153-K156 IonicContact OE1-NZ 3.17Å; E153-K156 PolarHBondContact OE1-NZ 2.9Å; K156-L158 VanDerWaalsContact C-N 3.32Å; K156-L158 PolarHBondContact O-N 3.22Å; K156-D159 PolarHBondContact O-N 3.41Å; K156-Q160 VanDerWaalsContact O-CB 3.3Å; K156-Q160 WeakPolarHBondContact O-CB 3.46Å; K156-Q160 PolarHBondContact O-N 2.95Å; K156-T467 HydrophobicContact CG-CG2 4.08Å
157	A	98.2	Very high	97.7	Very high	64 Å²	64	68.8 Å²	68.8	53%	0.529	37%	0.367	S	S	.	.	H	α-helix	trans	-62.4	-41.7	178.4	0	0	0	0	0	111.5	E153 E154 A161	E153-A157 WeakPolarHBondContact O-CB 3.32Å; E153-A157 PolarHBondContact O-N 3.39Å; E154-A157 PolarHBondContact O-N 2.93Å; A157-A161 WeakPolarHBondContact O-CB 3.39Å; A157-A161 PolarHBondContact O-N 2.75Å
158	L	98.3	Very high	97.9	Very high	76 Å²	76	68.6 Å²	68.6	40%	0.398	36%	0.361	S	S	.	.	H	α-helix	trans	-69.1	-39.3	178.2	-166	66	0	0	0	112.8	E154 K155 K156 A161 E357 P466	E154-L158 PolarHBondContact O-N 3.24Å; K155-L158 PolarHBondContact O-N 2.86Å; K156-L158 VanDerWaalsContact C-N 3.32Å; K156-L158 PolarHBondContact O-N 3.22Å; L158-A161 PolarHBondContact O-N 2.97Å; L158-E357 WeakPolarHBondContact CD2-OE1 3.25Å; L158-P466 HydrophobicContact CB-CB 4.33Å; L158-P466 HydrophobicContact CB-CG 4.11Å; L158-P466 HydrophobicContact CD2-CB 4.36Å; L158-P466 HydrophobicContact CD2-CG 3.99Å; L158-P466 HydrophobicContact CG-CG 3.98Å
159	D	98.4	Very high	98	Very high	5 Å²	5	62.6 Å²	62.6	3%	0.027	34%	0.338	C	S	.	.	H	α-helix	trans	-62.8	-48.5	176.3	-153.5	-57.3	0	0	0	110.5	K155 K156 A161 S162 E163 W166 R465 P466 T467	K155-D159 VanDerWaalsContact O-CB 3.28Å; K155-D159 WeakPolarHBondContact O-CB 3.39Å; K155-D159 PolarHBondContact O-N 3.28Å; K156-D159 PolarHBondContact O-N 3.41Å; D159-A161 VanDerWaalsContact C-N 3.29Å; D159-A161 PolarHBondContact O-N 3.16Å; D159-S162 PolarHBondContact O-N 3.39Å; D159-S162 VanDerWaalsContact O-N 3.09Å; D159-E163 PolarHBondContact O-N 3.18Å; D159-W166 PolarHBondContact O-NE1 3.32Å; D159-W166 VanDerWaalsContact O-NE1 3.14Å; D159-R465 IonicContact OD1-CZ 2.75Å; D159-R465 VanDerWaalsContact OD1-CZ 3.25Å; D159-R465 IonicContact OD1-NE 3.22Å; D159-R465 PolarHBondContact OD1-NE 3.26Å; D159-R465 IonicContact OD1-NH2 2.78Å; D159-R465 PolarHBondContact OD1-NH2 3.48Å; D159-R465 WeakPolarHBondContact OD2-CB 3.41Å; D159-R465 IonicContact OD2-CZ 2.78Å; D159-R465 IonicContact OD2-NE 2.81Å; D159-R465 IonicContact OD2-NH2 3.6Å; D159-R465 PolarHBondContact OD2-NH2 3.29Å; D159-P466 HydrophobicContact CB-CB 4.18Å; D159-P466 HydrophobicContact CB-CG 4.16Å; D159-T467 HydrophobicContact CB-CG2 3.88Å; D159-T467 WeakPolarHBondContact OD2-CB 3.48Å; D159-T467 WeakPolarHBondContact OD2-CG2 3.47Å; D159-T467 PolarHBondContact OD2-N 3.36Å; D159-T467 PolarHBondContact OD2-OG1 2.98Å
160	Q	98.2	Very high	98.1	Very high	129 Å²	129	61.5 Å²	61.5	60%	0.603	33%	0.334	S	S	*	.	H	α-helix	trans	-63.9	-32.8	178.1	-170.7	64.2	21.3	0	0	112.7	K156 S162 E163	K156-Q160 VanDerWaalsContact O-CB 3.3Å; K156-Q160 WeakPolarHBondContact O-CB 3.46Å; K156-Q160 PolarHBondContact O-N 2.95Å; Q160-S162 PolarHBondContact O-N 3.02Å; Q160-E163 VanDerWaalsContact O-CB 3.31Å; Q160-E163 WeakPolarHBondContact O-CB 3.29Å; Q160-E163 PolarHBondContact O-N 2.93Å; Q160-E163 VanDerWaalsContact O-N 3.16Å
161	A	98.3	Very high	98.3	Very high	83 Å²	83	59 Å²	59	69%	0.686	32%	0.317	S	S	*	.	H	α-helix	trans	-64	-20.2	176.8	0	0	0	0	0	113.1	A157 L158 D159	A157-A161 WeakPolarHBondContact O-CB 3.39Å; A157-A161 PolarHBondContact O-N 2.75Å; L158-A161 PolarHBondContact O-N 2.97Å; D159-A161 VanDerWaalsContact C-N 3.29Å; D159-A161 PolarHBondContact O-N 3.16Å
162	S	98.4	Very high	98.5	Very high	37 Å²	37	54.5 Å²	54.5	26%	0.259	29%	0.29	S	S	.	.	T	Hydrogen-bonded Turn	trans	-109.8	15	176.5	-57.7	0	0	0	0	112.9	D159 Q160 E164 I165 W166	D159-S162 PolarHBondContact O-N 3.39Å; D159-S162 VanDerWaalsContact O-N 3.09Å; Q160-S162 PolarHBondContact O-N 3.02Å; S162-E164 VanDerWaalsContact C-N 3.27Å; S162-E164 PolarHBondContact O-N 2.95Å; S162-I165 WeakPolarHBondContact O-CB 3.42Å; S162-I165 PolarHBondContact O-N 2.87Å; S162-W166 PolarHBondContact O-N 3.19Å; S162-W166 VanDerWaalsContact O-N 3.16Å; S162-W166 PolarHBondContact O-NE1 2.99Å
163	E	98.7	Very high	98.6	Very high	42 Å²	42	53.2 Å²	53.2	20%	0.196	28%	0.281	C	S	.	.	H	α-helix	trans	-59.8	-34.7	-173	-177.1	61.2	-171.7	0	0	113.2	D159 Q160 I165 W166 N167 R170	D159-E163 PolarHBondContact O-N 3.18Å; Q160-E163 VanDerWaalsContact O-CB 3.31Å; Q160-E163 WeakPolarHBondContact O-CB 3.29Å; Q160-E163 PolarHBondContact O-N 2.93Å; Q160-E163 VanDerWaalsContact O-N 3.16Å; E163-I165 VanDerWaalsContact C-N 3.31Å; E163-I165 PolarHBondContact O-N 3.22Å; E163-W166 PolarHBondContact O-N 3.49Å; E163-N167 WeakPolarHBondContact O-CB 3.49Å; E163-N167 PolarHBondContact O-N 3.35Å; E163-R170 IonicContact OE1-CZ 2.78Å; E163-R170 IonicContact OE1-NH1 3.93Å; E163-R170 PolarHBondContact OE1-NH1 2.87Å; E163-R170 IonicContact OE2-NH1 3.95Å; E163-R170 PolarHBondContact OE2-NH1 3.37Å; E163-R170 IonicContact OE2-NH2 2.85Å
164	E	98.6	Very high	98.6	Very high	166 Å²	166	48 Å²	48	78%	0.776	26%	0.256	S	S	*	.	H	α-helix	trans	-61.7	-39.5	174.5	-66.7	-175.8	-176.5	0	0	111.9	S162 N167 D168	S162-E164 VanDerWaalsContact C-N 3.27Å; S162-E164 PolarHBondContact O-N 2.95Å; E164-N167 PolarHBondContact O-N 3.42Å; E164-D168 PolarHBondContact O-N 2.83Å
165	I	98.9	Very high	98.7	Very high	50 Å²	50	41.6 Å²	41.6	26%	0.256	23%	0.226	S	C	.	.	H	α-helix	trans	-64	-47.3	176.3	-62.8	173.3	0	0	0	110.1	S162 E163 N167 D168 F169 R259	S162-I165 WeakPolarHBondContact O-CB 3.42Å; S162-I165 PolarHBondContact O-N 2.87Å; E163-I165 VanDerWaalsContact C-N 3.31Å; E163-I165 PolarHBondContact O-N 3.22Å; I165-N167 VanDerWaalsContact C-N 3.27Å; I165-N167 PolarHBondContact O-N 2.9Å; I165-D168 PolarHBondContact O-N 3.3Å; I165-F169 HydrophobicContact CG2-CD2 4.03Å; I165-F169 HydrophobicContact CG2-CE2 3.72Å; I165-F169 WeakPolarHBondContact O-CD2 3.36Å; I165-F169 PolarHBondContact O-N 2.65Å; I165-R259 HydrophobicContact CG2-CG 4.48Å
166	W	98.8	Very high	98.7	Very high	9 Å²	9	40.4 Å²	40.4	3%	0.034	22%	0.221	C	C	.	.	H	α-helix	trans	-63.4	-37.6	178.8	-48	141.3	0	0	0	111.7	D159 S162 E163 F169 R170 L463 R465	D159-W166 PolarHBondContact O-NE1 3.32Å; D159-W166 VanDerWaalsContact O-NE1 3.14Å; S162-W166 PolarHBondContact O-N 3.19Å; S162-W166 VanDerWaalsContact O-N 3.16Å; S162-W166 PolarHBondContact O-NE1 2.99Å; E163-W166 PolarHBondContact O-N 3.49Å; W166-F169 HydrophobicContact CE3-CD2 4.29Å; W166-F169 PolarHBondContact O-N 2.77Å; W166-R170 WeakPolarHBondContact O-CD 3.22Å; W166-R170 WeakPolarHBondContact O-CG 3.46Å; W166-R170 PolarHBondContact O-N 2.87Å; W166-L463 HydrophobicContact CE3-CB 4.44Å; W166-L463 HydrophobicContact CE3-CD1 3.89Å; W166-L463 HydrophobicContact CE3-CD2 4.41Å; W166-L463 HydrophobicContact CE3-CG 4.48Å; W166-L463 HydrophobicContact CZ3-CB 4.42Å; W166-L463 HydrophobicContact CZ3-CD2 4.46Å; W166-R465 HydrophobicContact CD2-CG 3.89Å; W166-R465 HydrophobicContact CE3-CG 4.26Å; W166-R465 HydrophobicContact CG-CG 4.34Å; W166-R465 HydrophobicContact CH2-CG 4.33Å; W166-R465 HydrophobicContact CZ2-CG 3.96Å; W166-R465 HydrophobicContact CZ3-CG 4.46Å
167	N	98.9	Very high	98.7	Very high	22 Å²	22	38 Å²	38	12%	0.118	21%	0.21	C	C	.	.	H	α-helix	trans	-66.2	-40	178.7	-166.4	63.2	0	0	0	112.3	G127 F129 E163 E164 I165 R170 E171	G127-N167 PolarHBondContact O-ND2 3.34Å; F129-N167 VanDerWaalsContact CD2-ND2 3.34Å; F129-N167 WeakPolarHBondContact CD2-ND2 3.41Å; F129-N167 WeakPolarHBondContact CD2-O 3.49Å; F129-N167 WeakPolarHBondContact CD2-OD1 3.41Å; F129-N167 PolarHBondContact N-OD1 3.35Å; E163-N167 WeakPolarHBondContact O-CB 3.49Å; E163-N167 PolarHBondContact O-N 3.35Å; E164-N167 PolarHBondContact O-N 3.42Å; I165-N167 VanDerWaalsContact C-N 3.27Å; I165-N167 PolarHBondContact O-N 2.9Å; N167-R170 WeakPolarHBondContact O-CB 3.22Å; N167-R170 PolarHBondContact O-N 3.16Å; N167-R170 VanDerWaalsContact O-N 3.13Å; N167-E171 PolarHBondContact O-N 2.94Å
168	D	98.9	Very high	98.8	Very high	34 Å²	34	36.4 Å²	36.4	18%	0.182	19%	0.192	C	C	.	.	H	α-helix	trans	-61.6	-42.7	173.1	-77.9	2.5	0	0	0	111.9	E164 I165 R170 E171 A172 I256 S257 R259	E164-D168 PolarHBondContact O-N 2.83Å; I165-D168 PolarHBondContact O-N 3.3Å; D168-R170 VanDerWaalsContact C-N 3.3Å; D168-R170 PolarHBondContact O-N 3.1Å; D168-E171 PolarHBondContact O-N 3.01Å; D168-A172 PolarHBondContact O-N 3.25Å; D168-A172 VanDerWaalsContact O-N 3.13Å; D168-I256 HydrophobicContact CB-CB 4.07Å; D168-I256 HydrophobicContact CB-CG2 4Å; D168-S257 VanDerWaalsContact OD2-CB 3.3Å; D168-S257 WeakPolarHBondContact OD2-CB 3.37Å; D168-S257 PolarHBondContact OD2-OG 3.02Å; D168-R259 HydrophobicContact CB-CB 4.03Å; D168-R259 HydrophobicContact CB-CG 3.7Å
169	F	98.9	Very high	98.8	Very high	5 Å²	5	32.8 Å²	32.8	2%	0.022	17%	0.173	C	C	.	.	H	α-helix	trans	-61.1	-39.6	172.6	-79.2	-74	0	0	0	111.9	I165 W166 A172 A173 R259 I260 I261 V360 L463 V472	I165-F169 HydrophobicContact CG2-CD2 4.03Å; I165-F169 HydrophobicContact CG2-CE2 3.72Å; I165-F169 WeakPolarHBondContact O-CD2 3.36Å; I165-F169 PolarHBondContact O-N 2.65Å; W166-F169 HydrophobicContact CE3-CD2 4.29Å; W166-F169 PolarHBondContact O-N 2.77Å; F169-A172 PolarHBondContact O-N 3.4Å; F169-A173 VanDerWaalsContact O-CB 3.23Å; F169-A173 WeakPolarHBondContact O-CB 3.42Å; F169-A173 PolarHBondContact O-N 3.11Å; F169-R259 HydrophobicContact CD1-CB 3.87Å; F169-R259 HydrophobicContact CD2-CB 3.91Å; F169-R259 HydrophobicContact CD2-CG 4.26Å; F169-R259 HydrophobicContact CE1-CB 3.83Å; F169-R259 HydrophobicContact CE2-CB 3.85Å; F169-R259 HydrophobicContact CE2-CG 4.07Å; F169-R259 HydrophobicContact CG-CB 3.9Å; F169-R259 HydrophobicContact CZ-CB 3.8Å; F169-R259 HydrophobicContact CZ-CG 4.36Å; F169-I260 WeakPolarHBondContact CE1-O 3.47Å; F169-I261 HydrophobicContact CB-CD1 4.38Å; F169-I261 HydrophobicContact CD1-CD1 3.98Å; F169-V360 HydrophobicContact CE1-CG1 3.97Å; F169-V360 HydrophobicContact CE1-CG2 4.45Å; F169-V360 HydrophobicContact CE2-CG2 3.94Å; F169-V360 HydrophobicContact CZ-CB 4.32Å; F169-V360 HydrophobicContact CZ-CG1 4.03Å; F169-V360 HydrophobicContact CZ-CG2 3.71Å; F169-L463 HydrophobicContact CB-CD1 4.23Å; F169-L463 HydrophobicContact CB-CD2 4.26Å; F169-L463 HydrophobicContact CD1-CD2 4.07Å; F169-L463 HydrophobicContact CD2-CD1 4.5Å; F169-L463 HydrophobicContact CD2-CD2 3.74Å; F169-L463 HydrophobicContact CE1-CD2 4.33Å; F169-L463 HydrophobicContact CE2-CD2 4.03Å; F169-L463 HydrophobicContact CG-CD2 3.78Å; F169-L463 HydrophobicContact CZ-CD2 4.33Å; F169-V472 HydrophobicContact CB-CG2 4.14Å
170	R	98.9	Very high	98.8	Very high	1 Å²	1	32.6 Å²	32.6	0%	0.004	17%	0.172	C	C	.	.	H	α-helix	trans	-67.7	-37.9	179.6	-71.4	164.3	-169.3	154.1	5.4	112.3	F129 P130 E163 W166 N167 D168 A173 E174 E470 V472	F129-R170 HydrophobicContact CB-CB 3.71Å; P130-R170 WeakPolarHBondContact O-CB 3.17Å; P130-R170 WeakPolarHBondContact O-CG 3.15Å; E163-R170 IonicContact OE1-CZ 2.78Å; E163-R170 IonicContact OE1-NH1 3.93Å; E163-R170 PolarHBondContact OE1-NH1 2.87Å; E163-R170 IonicContact OE2-NH1 3.95Å; E163-R170 PolarHBondContact OE2-NH1 3.37Å; E163-R170 IonicContact OE2-NH2 2.85Å; W166-R170 WeakPolarHBondContact O-CD 3.22Å; W166-R170 WeakPolarHBondContact O-CG 3.46Å; W166-R170 PolarHBondContact O-N 2.87Å; N167-R170 WeakPolarHBondContact O-CB 3.22Å; N167-R170 PolarHBondContact O-N 3.16Å; N167-R170 VanDerWaalsContact O-N 3.13Å; D168-R170 VanDerWaalsContact C-N 3.3Å; D168-R170 PolarHBondContact O-N 3.1Å; R170-A173 PolarHBondContact O-N 2.94Å; R170-E174 WeakPolarHBondContact O-CB 3.07Å; R170-E174 PolarHBondContact O-N 2.6Å; R170-E470 IonicContact CZ-OE1 2.73Å; R170-E470 IonicContact CZ-OE2 3.28Å; R170-E470 IonicContact NE-OE1 2.86Å; R170-E470 PolarHBondContact NE-OE1 3.22Å; R170-E470 IonicContact NE-OE2 3.07Å; R170-E470 PolarHBondContact NE-OE2 2.82Å; R170-E470 IonicContact NH2-OE1 3.25Å; R170-E470 IonicContact NH2-OE2 3.31Å; R170-E470 PolarHBondContact NH2-OE2 3.06Å; R170-V472 HydrophobicContact CB-CG2 4.5Å; R170-V472 HydrophobicContact CG-CG2 3.81Å
171	E	98.9	Very high	98.8	Very high	19 Å²	19	32.1 Å²	32.1	9%	0.089	17%	0.168	C	C	.	.	H	α-helix	trans	-61	-52	172.7	-175.2	167.1	-166	0	0	111.1	I120 C121 F129 N167 D168 A173 E174 A175 I256	I120-E171 HydrophobicContact CB-CG 4.26Å; I120-E171 HydrophobicContact CG2-CG 4.04Å; C121-E171 WeakPolarHBondContact CB-OE1 3Å; C121-E171 PolarHBondContact N-OE1 3.09Å; F129-E171 HydrophobicContact CB-CB 4.46Å; F129-E171 HydrophobicContact CD1-CB 3.94Å; F129-E171 HydrophobicContact CD1-CG 4.03Å; F129-E171 HydrophobicContact CD2-CB 3.55Å; F129-E171 HydrophobicContact CD2-CG 4.27Å; F129-E171 HydrophobicContact CE1-CB 4Å; F129-E171 HydrophobicContact CE1-CG 3.68Å; F129-E171 HydrophobicContact CE2-CB 3.63Å; F129-E171 HydrophobicContact CE2-CG 3.94Å; F129-E171 VanDerWaalsContact CE2-OE2 3.27Å; F129-E171 WeakPolarHBondContact CE2-OE2 3.2Å; F129-E171 HydrophobicContact CG-CB 3.71Å; F129-E171 HydrophobicContact CG-CG 4.31Å; F129-E171 HydrophobicContact CZ-CB 3.86Å; F129-E171 HydrophobicContact CZ-CG 3.63Å; F129-E171 WeakPolarHBondContact CZ-OE1 3.45Å; F129-E171 WeakPolarHBondContact CZ-OE2 3.36Å; N167-E171 PolarHBondContact O-N 2.94Å; D168-E171 PolarHBondContact O-N 3.01Å; E171-A173 VanDerWaalsContact C-N 3.25Å; E171-A173 PolarHBondContact O-N 2.78Å; E171-E174 PolarHBondContact O-N 3.15Å; E171-A175 PolarHBondContact O-N 2.92Å; E171-I256 HydrophobicContact CB-CG1 4.02Å; E171-I256 HydrophobicContact CG-CD1 4.31Å; E171-I256 HydrophobicContact CG-CG1 3.93Å
172	A	98.9	Very high	98.9	Very high	0 Å²	0	30.2 Å²	30.2	0%	0	14%	0.143	C	C	.	.	H	α-helix	trans	-59	-39.1	178	0	0	0	0	0	111.6	D168 F169 A175 H176 I208 T254 I256 I261	D168-A172 PolarHBondContact O-N 3.25Å; D168-A172 VanDerWaalsContact O-N 3.13Å; F169-A172 PolarHBondContact O-N 3.4Å; A172-A175 WeakPolarHBondContact O-CB 3.44Å; A172-A175 PolarHBondContact O-N 3.3Å; A172-H176 PolarHBondContact O-N 2.96Å; A172-I208 HydrophobicContact CB-CD1 4.27Å; A172-T254 PolarHBondContact O-OG1 3.42Å; A172-I256 HydrophobicContact CB-CG1 4.45Å; A172-I261 HydrophobicContact CB-CB 4.39Å; A172-I261 HydrophobicContact CB-CG1 3.67Å
173	A	98.9	Very high	98.9	Very high	0 Å²	0	28.4 Å²	28.4	0%	0	13%	0.131	C	C	.	.	H	α-helix	trans	-69.9	-36.6	-179.8	0	0	0	0	0	112.3	F169 R170 E171 H176 R177 I261 V472	F169-A173 VanDerWaalsContact O-CB 3.23Å; F169-A173 WeakPolarHBondContact O-CB 3.42Å; F169-A173 PolarHBondContact O-N 3.11Å; R170-A173 PolarHBondContact O-N 2.94Å; E171-A173 VanDerWaalsContact C-N 3.25Å; E171-A173 PolarHBondContact O-N 2.78Å; A173-H176 WeakPolarHBondContact O-CB 3.49Å; A173-H176 PolarHBondContact O-N 2.94Å; A173-R177 WeakPolarHBondContact O-CG 3.42Å; A173-R177 PolarHBondContact O-N 3.42Å; A173-I261 HydrophobicContact CB-CD1 3.85Å; A173-I261 HydrophobicContact CB-CG1 3.92Å; A173-V472 HydrophobicContact CB-CG2 3.98Å; A173-V472 VanDerWaalsContact CB-O 3.29Å; A173-V472 WeakPolarHBondContact CB-O 3.47Å
174	E	98.9	Very high	98.9	Very high	24 Å²	24	29.8 Å²	29.8	11%	0.112	14%	0.138	C	C	.	.	H	α-helix	trans	-67.7	-38.7	175.3	-175.6	56.7	-152.1	0	0	111.5	I120 Y124 P130 R170 E171 H176 R177 Q178	I120-E174 HydrophobicContact CD1-CG 4.09Å; I120-E174 HydrophobicContact CG1-CG 4.43Å; I120-E174 HydrophobicContact CG2-CB 3.9Å; I120-E174 HydrophobicContact CG2-CG 3.79Å; Y124-E174 HydrophobicContact CE2-CG 4.07Å; P130-E174 HydrophobicContact CG-CB 4.2Å; P130-E174 HydrophobicContact CG-CG 4.09Å; P130-E174 WeakPolarHBondContact CG-OE2 3.44Å; R170-E174 WeakPolarHBondContact O-CB 3.07Å; R170-E174 PolarHBondContact O-N 2.6Å; E171-E174 PolarHBondContact O-N 3.15Å; E174-H176 VanDerWaalsContact C-N 3.35Å; E174-R177 PolarHBondContact O-N 3.28Å; E174-R177 IonicContact OE2-CZ 3.32Å; E174-R177 VanDerWaalsContact OE2-CZ 3.22Å; E174-R177 IonicContact OE2-NE 3.63Å; E174-R177 PolarHBondContact OE2-NE 3.4Å; E174-R177 IonicContact OE2-NH2 3.37Å; E174-R177 PolarHBondContact OE2-NH2 3.23Å; E174-Q178 WeakPolarHBondContact O-CG 3.35Å; E174-Q178 PolarHBondContact O-N 3.45Å; E174-Q178 PolarHBondContact OE1-NE2 3.31Å
175	A	98.9	Very high	98.9	Very high	0 Å²	0	25.5 Å²	25.5	0%	0	13%	0.126	C	C	.	.	H	α-helix	trans	-59.6	-48.8	171	0	0	0	0	0	110.2	I120 E171 A172 R177 Q178 V179 L207 I208 T254	I120-A175 HydrophobicContact CG1-CB 3.72Å; E171-A175 PolarHBondContact O-N 2.92Å; A172-A175 WeakPolarHBondContact O-CB 3.44Å; A172-A175 PolarHBondContact O-N 3.3Å; A175-R177 PolarHBondContact O-N 3.33Å; A175-Q178 PolarHBondContact O-N 3.05Å; A175-V179 VanDerWaalsContact O-CG2 3.25Å; A175-V179 WeakPolarHBondContact O-CG2 3.39Å; A175-V179 PolarHBondContact O-N 3.23Å; A175-L207 HydrophobicContact CB-CB 4.31Å; A175-I208 HydrophobicContact CB-CB 4.48Å; A175-I208 HydrophobicContact CB-CD1 3.81Å; A175-T254 HydrophobicContact CB-CG2 4.35Å
176	H	98.9	Very high	98.9	Very high	0 Å²	0	24.5 Å²	24.5	0%	0	12%	0.119	C	C	.	.	H	α-helix	trans	-57.7	-46.8	178.4	-171.2	-72.3	0	0	0	112.3	A172 A173 E174 Q178 V179 R180 F252 I261 C263	A172-H176 PolarHBondContact O-N 2.96Å; A173-H176 WeakPolarHBondContact O-CB 3.49Å; A173-H176 PolarHBondContact O-N 2.94Å; E174-H176 VanDerWaalsContact C-N 3.35Å; H176-Q178 PolarHBondContact O-N 3.29Å; H176-V179 PolarHBondContact O-N 3.2Å; H176-R180 WeakPolarHBondContact ND1-CD 3.06Å; H176-R180 PolarHBondContact ND1-NH1 3.16Å; H176-R180 VanDerWaalsContact ND1-NH1 3.16Å; H176-R180 WeakPolarHBondContact O-CG 3.48Å; H176-R180 PolarHBondContact O-N 3.29Å; H176-F252 HydrophobicContact CB-CE2 4.49Å; H176-F252 AromaticContact CD2-CD2 3.82Å; H176-F252 AromaticContact CD2-CE1 3.9Å; H176-F252 AromaticContact CD2-CE2 3.37Å; H176-F252 WeakPolarHBondContact CD2-CE2 3.42Å; H176-F252 AromaticContact CD2-CZ 3.42Å; H176-F252 VanDerWaalsContact CD2-CZ 3.42Å; H176-F252 WeakPolarHBondContact CD2-CZ 3.49Å; H176-F252 PolarHBondContact CD2-O 2.87Å; H176-F252 AromaticContact CE1-CE1 3.56Å; H176-F252 AromaticContact CE1-CZ 3.57Å; H176-F252 AromaticContact CG-CE2 3.94Å; H176-F252 AromaticContact CG-CZ 3.78Å; H176-F252 AromaticContact ND1-CZ 3.88Å; H176-F252 AromaticContact NE2-CD1 3.61Å; H176-F252 AromaticContact NE2-CD2 3.97Å; H176-F252 AromaticContact NE2-CE1 3.24Å; H176-F252 WeakPolarHBondContact NE2-CE1 3.46Å; H176-F252 AromaticContact NE2-CE2 3.64Å; H176-F252 AromaticContact NE2-CG 3.96Å; H176-F252 AromaticContact NE2-CZ 3.26Å; H176-F252 VanDerWaalsContact NE2-CZ 3.26Å; H176-F252 WeakPolarHBondContact NE2-CZ 3.34Å; H176-F252 PolarHBondContact NE2-O 3.08Å; H176-I261 HydrophobicContact CB-CG2 4.08Å; H176-C263 VanDerWaalsContact CE1-CB 3.48Å; H176-C263 WeakPolarHBondContact CE1-CB 3.44Å; H176-C263 PolarHBondContact CE1-O 3.45Å; H176-C263 PolarHBondContact NE2-O 3.05Å
177	R	98.9	Very high	98.9	Very high	31 Å²	31	24.2 Å²	24.2	12%	0.117	12%	0.119	C	C	.	.	H	α-helix	trans	-56	-47.9	175.5	-81.9	-171.8	-73	-85.1	-2.5	112.6	A173 E174 A175 R180 K181 V472 R474	A173-R177 WeakPolarHBondContact O-CG 3.42Å; A173-R177 PolarHBondContact O-N 3.42Å; E174-R177 PolarHBondContact O-N 3.28Å; E174-R177 IonicContact OE2-CZ 3.32Å; E174-R177 VanDerWaalsContact OE2-CZ 3.22Å; E174-R177 IonicContact OE2-NE 3.63Å; E174-R177 PolarHBondContact OE2-NE 3.4Å; E174-R177 IonicContact OE2-NH2 3.37Å; E174-R177 PolarHBondContact OE2-NH2 3.23Å; A175-R177 PolarHBondContact O-N 3.33Å; R177-R180 WeakPolarHBondContact O-CG 3.43Å; R177-K181 VanDerWaalsContact O-CB 3.28Å; R177-K181 WeakPolarHBondContact O-CB 3.26Å; R177-K181 PolarHBondContact O-N 2.89Å; R177-K181 VanDerWaalsContact O-N 3.11Å; R177-V472 PolarHBondContact NH1-O 3.45Å; R177-R474 WeakPolarHBondContact CD-O 3.38Å; R177-R474 PolarHBondContact NH1-O 3.11Å
178	Q	98.9	Very high	98.9	Very high	32 Å²	32	27.7 Å²	27.7	15%	0.15	13%	0.133	C	C	.	.	H	α-helix	trans	-71	-38.4	-178	-67.9	-171.5	29.8	0	0	112.2	I120 E174 A175 H176 Y182 L207	I120-Q178 HydrophobicContact CD1-CG 4.42Å; E174-Q178 WeakPolarHBondContact O-CG 3.35Å; E174-Q178 PolarHBondContact O-N 3.45Å; E174-Q178 PolarHBondContact OE1-NE2 3.31Å; A175-Q178 PolarHBondContact O-N 3.05Å; H176-Q178 PolarHBondContact O-N 3.29Å; Q178-Y182 WeakPolarHBondContact O-CB 3.41Å; Q178-Y182 PolarHBondContact O-N 2.96Å; Q178-Y182 VanDerWaalsContact O-N 3.11Å; Q178-L207 HydrophobicContact CB-CD1 3.56Å
179	V	98.9	Very high	98.9	Very high	0 Å²	0	28.4 Å²	28.4	0%	0	14%	0.139	C	C	.	.	H	α-helix	trans	-62.4	-52.7	174.7	174.4	0	0	0	0	110.7	A175 H176 K181 Y182 V183 L200 L207 F252	A175-V179 VanDerWaalsContact O-CG2 3.25Å; A175-V179 WeakPolarHBondContact O-CG2 3.39Å; A175-V179 PolarHBondContact O-N 3.23Å; H176-V179 PolarHBondContact O-N 3.2Å; V179-K181 VanDerWaalsContact C-N 3.34Å; V179-K181 PolarHBondContact O-N 3.44Å; V179-Y182 CarbonylContact O-C 3.45Å; V179-Y182 WeakPolarHBondContact O-CA 3.39Å; V179-Y182 WeakPolarHBondContact O-CB 3.48Å; V179-Y182 PolarHBondContact O-N 2.89Å; V179-Y182 VanDerWaalsContact O-N 3.08Å; V179-V183 HydrophobicContact CG1-CG2 4.17Å; V179-V183 VanDerWaalsContact O-CG2 3.3Å; V179-V183 WeakPolarHBondContact O-CG2 3.27Å; V179-V183 PolarHBondContact O-N 3.47Å; V179-L200 HydrophobicContact CG1-CD2 3.99Å; V179-L200 HydrophobicContact CG1-CG 3.88Å; V179-L207 HydrophobicContact CG2-CD1 3.95Å; V179-L207 HydrophobicContact CG2-CG 4.45Å; V179-F252 HydrophobicContact CB-CE2 3.88Å; V179-F252 HydrophobicContact CB-CZ 3.84Å; V179-F252 HydrophobicContact CG1-CE2 3.63Å; V179-F252 HydrophobicContact CG1-CZ 3.62Å
180	R	98.9	Very high	98.9	Very high	0 Å²	0	30.8 Å²	30.8	0%	0	17%	0.165	C	C	.	.	H	α-helix	trans	-65.5	-37.1	-175.5	74.1	-170.2	-173.2	-143.4	1.2	112.6	H176 R177 Y182 V183 M184 F252 C263 F265 S473 G475 D477 Y478	H176-R180 WeakPolarHBondContact ND1-CD 3.06Å; H176-R180 PolarHBondContact ND1-NH1 3.16Å; H176-R180 VanDerWaalsContact ND1-NH1 3.16Å; H176-R180 WeakPolarHBondContact O-CG 3.48Å; H176-R180 PolarHBondContact O-N 3.29Å; R177-R180 WeakPolarHBondContact O-CG 3.43Å; R180-Y182 VanDerWaalsContact C-N 3.29Å; R180-Y182 PolarHBondContact O-N 2.95Å; R180-V183 PolarHBondContact O-N 3.41Å; R180-M184 HydrophobicContact CB-CE 4.17Å; R180-M184 HydrophobicContact CG-CE 3.9Å; R180-M184 WeakPolarHBondContact O-CG 3.47Å; R180-M184 PolarHBondContact O-N 2.93Å; R180-F252 HydrophobicContact CB-CE1 3.96Å; R180-F252 HydrophobicContact CB-CZ 4Å; R180-C263 PolarHBondContact NH1-SG 2.92Å; R180-C263 VanDerWaalsContact NH1-SG 3.41Å; R180-F265 HydrophobicContact CB-CD1 4.37Å; R180-F265 HydrophobicContact CB-CE1 3.64Å; R180-F265 HydrophobicContact CB-CZ 4.17Å; R180-S473 PolarHBondContact NH1-O 3.5Å; R180-S473 PolarHBondContact NH2-O 2.87Å; R180-G475 VanDerWaalsContact NH2-N 3.19Å; R180-D477 WeakPolarHBondContact CD-OD2 3.29Å; R180-D477 WeakPolarHBondContact CG-OD2 3.38Å; R180-D477 IonicContact CZ-OD1 3.41Å; R180-D477 IonicContact CZ-OD2 3.83Å; R180-D477 IonicContact NE-OD1 3.38Å; R180-D477 PolarHBondContact NE-OD1 3.22Å; R180-D477 IonicContact NE-OD2 2.95Å; R180-D477 PolarHBondContact NE-OD2 3.33Å; R180-D477 IonicContact NH2-OD1 2.69Å; R180-D477 PolarHBondContact NH2-OD1 3.46Å; R180-D477 IonicContact NH2-OD2 2.78Å; R180-Y478 WeakPolarHBondContact CD-OH 3.29Å
181	K	98.9	Very high	98.9	Very high	120 Å²	120	32.6 Å²	32.6	52%	0.522	17%	0.174	S	C	.	.	H	α-helix	trans	-59.1	-42.4	172.1	-177.5	169.7	-172.8	154.8	0	111.6	R177 V179 S185 D476	R177-K181 VanDerWaalsContact O-CB 3.28Å; R177-K181 WeakPolarHBondContact O-CB 3.26Å; R177-K181 PolarHBondContact O-N 2.89Å; R177-K181 VanDerWaalsContact O-N 3.11Å; V179-K181 VanDerWaalsContact C-N 3.34Å; V179-K181 PolarHBondContact O-N 3.44Å; K181-S185 PolarHBondContact O-N 2.78Å; K181-D476 IonicContact NZ-OD2 3.88Å; K181-D476 PolarHBondContact NZ-OD2 3.04Å
182	Y	98.9	Very high	98.9	Very high	42 Å²	42	33.4 Å²	33.4	17%	0.165	18%	0.18	C	C	.	.	H	α-helix	trans	-64	-47.6	173.9	176.7	-120.4	0	0	0	111.6	P115 P116 Q178 V179 R180 M184 S185 W186 K199 C203	P115-Y182 HydrophobicContact CB-CD2 4.45Å; P115-Y182 HydrophobicContact CB-CE2 3.63Å; P116-Y182 HydrophobicContact CG-CD2 4.29Å; P116-Y182 HydrophobicContact CG-CG 4.12Å; Q178-Y182 WeakPolarHBondContact O-CB 3.41Å; Q178-Y182 PolarHBondContact O-N 2.96Å; Q178-Y182 VanDerWaalsContact O-N 3.11Å; V179-Y182 CarbonylContact O-C 3.45Å; V179-Y182 WeakPolarHBondContact O-CA 3.39Å; V179-Y182 WeakPolarHBondContact O-CB 3.48Å; V179-Y182 PolarHBondContact O-N 2.89Å; V179-Y182 VanDerWaalsContact O-N 3.08Å; R180-Y182 VanDerWaalsContact C-N 3.29Å; R180-Y182 PolarHBondContact O-N 2.95Å; Y182-M184 VanDerWaalsContact C-N 3.34Å; Y182-M184 PolarHBondContact O-N 2.81Å; Y182-S185 WeakPolarHBondContact O-CB 3.49Å; Y182-S185 PolarHBondContact O-N 2.82Å; Y182-S185 PolarHBondContact O-OG 2.67Å; Y182-W186 AromaticContact CD1-CD1 3.97Å; Y182-W186 AromaticContact CD1-NE1 3.21Å; Y182-W186 AromaticContact CD2-CD1 3.78Å; Y182-W186 AromaticContact CD2-NE1 3.88Å; Y182-W186 AromaticContact CE1-CD1 3.74Å; Y182-W186 AromaticContact CE1-NE1 3.1Å; Y182-W186 AromaticContact CE2-CD1 3.54Å; Y182-W186 AromaticContact CE2-NE1 3.79Å; Y182-W186 AromaticContact CG-CD1 3.99Å; Y182-W186 AromaticContact CG-NE1 3.62Å; Y182-W186 AromaticContact CZ-CD1 3.52Å; Y182-W186 AromaticContact CZ-NE1 3.41Å; Y182-W186 PolarHBondContact O-NE1 3Å; Y182-W186 VanDerWaalsContact O-NE1 3.14Å; Y182-K199 HydrophobicContact CE1-CG 4.49Å; Y182-K199 WeakPolarHBondContact OH-CE 3.46Å; Y182-C203 HydrophobicContact CD1-CB 4.08Å; Y182-C203 HydrophobicContact CE1-CB 4.31Å
183	V	98.8	Very high	98.9	Very high	0 Å²	0	33.4 Å²	33.4	0%	0	18%	0.18	C	C	.	.	H	α-helix	trans	-54.3	-49.1	178.8	173.7	0	0	0	0	111.6	V179 R180 S185 W186 I187 L200 F265	V179-V183 HydrophobicContact CG1-CG2 4.17Å; V179-V183 VanDerWaalsContact O-CG2 3.3Å; V179-V183 WeakPolarHBondContact O-CG2 3.27Å; V179-V183 PolarHBondContact O-N 3.47Å; R180-V183 PolarHBondContact O-N 3.41Å; V183-S185 PolarHBondContact O-N 3.42Å; V183-S185 VanDerWaalsContact O-N 3.12Å; V183-W186 HydrophobicContact CB-CZ2 4.14Å; V183-W186 HydrophobicContact CG1-CH2 4.35Å; V183-W186 HydrophobicContact CG1-CZ2 4.21Å; V183-W186 HydrophobicContact CG2-CH2 4.5Å; V183-W186 HydrophobicContact CG2-CZ2 3.78Å; V183-W186 PolarHBondContact O-N 2.84Å; V183-W186 VanDerWaalsContact O-N 3.08Å; V183-I187 HydrophobicContact CG1-CB 4.25Å; V183-I187 HydrophobicContact CG1-CD1 4.46Å; V183-I187 HydrophobicContact CG1-CG2 4.38Å; V183-I187 WeakPolarHBondContact O-CB 3.5Å; V183-I187 WeakPolarHBondContact O-CG2 3.38Å; V183-I187 PolarHBondContact O-N 2.71Å; V183-L200 HydrophobicContact CB-CD1 4.5Å; V183-L200 HydrophobicContact CG1-CD1 4.28Å; V183-L200 HydrophobicContact CG2-CB 3.99Å; V183-L200 HydrophobicContact CG2-CD1 3.51Å; V183-L200 HydrophobicContact CG2-CG 3.57Å; V183-F265 HydrophobicContact CG1-CZ 4.33Å
184	M	98.8	Very high	98.9	Very high	70 Å²	70	34.9 Å²	34.9	35%	0.345	19%	0.188	S	C	.	.	H	α-helix	trans	-57.8	-28	179.3	-72.7	-175.6	-112.8	0	0	113.4	R180 Y182 F265 D477	R180-M184 HydrophobicContact CB-CE 4.17Å; R180-M184 HydrophobicContact CG-CE 3.9Å; R180-M184 WeakPolarHBondContact O-CG 3.47Å; R180-M184 PolarHBondContact O-N 2.93Å; Y182-M184 VanDerWaalsContact C-N 3.34Å; Y182-M184 PolarHBondContact O-N 2.81Å; M184-F265 HydrophobicContact CE-CD2 4.42Å; M184-F265 HydrophobicContact CE-CE2 4.16Å; M184-F265 HydrophobicContact CE-CZ 4.26Å; M184-F265 HydrophobicContact CG-CD2 4.42Å; M184-F265 HydrophobicContact CG-CE2 3.58Å; M184-F265 HydrophobicContact CG-CZ 4Å; M184-F265 HydrophobicContact SD-CD2 4.43Å; M184-F265 HydrophobicContact SD-CE2 4.13Å; M184-D477 HydrophobicContact CE-CB 4.01Å; M184-D477 WeakPolarHBondContact CE-OD2 3.37Å
185	S	98.8	Very high	98.9	Very high	77 Å²	77	38.5 Å²	38.5	54%	0.538	21%	0.205	S	C	.	.	H	α-helix	trans	-68.5	-35.7	178.2	76.6	0	0	0	0	112.9	K181 Y182 V183 K188	K181-S185 PolarHBondContact O-N 2.78Å; Y182-S185 WeakPolarHBondContact O-CB 3.49Å; Y182-S185 PolarHBondContact O-N 2.82Å; Y182-S185 PolarHBondContact O-OG 2.67Å; V183-S185 PolarHBondContact O-N 3.42Å; V183-S185 VanDerWaalsContact O-N 3.12Å; S185-K188 PolarHBondContact O-NZ 2.7Å
186	W	98.9	Very high	98.9	Very high	28 Å²	28	38.5 Å²	38.5	11%	0.106	21%	0.205	C	C	.	.	H	α-helix	trans	-120.3	-16.9	-167.9	60.5	-105.7	0	0	0	115.3	Y182 V183 K188 M191 I196 K199	Y182-W186 AromaticContact CD1-CD1 3.97Å; Y182-W186 AromaticContact CD1-NE1 3.21Å; Y182-W186 AromaticContact CD2-CD1 3.78Å; Y182-W186 AromaticContact CD2-NE1 3.88Å; Y182-W186 AromaticContact CE1-CD1 3.74Å; Y182-W186 AromaticContact CE1-NE1 3.1Å; Y182-W186 AromaticContact CE2-CD1 3.54Å; Y182-W186 AromaticContact CE2-NE1 3.79Å; Y182-W186 AromaticContact CG-CD1 3.99Å; Y182-W186 AromaticContact CG-NE1 3.62Å; Y182-W186 AromaticContact CZ-CD1 3.52Å; Y182-W186 AromaticContact CZ-NE1 3.41Å; Y182-W186 PolarHBondContact O-NE1 3Å; Y182-W186 VanDerWaalsContact O-NE1 3.14Å; V183-W186 HydrophobicContact CB-CZ2 4.14Å; V183-W186 HydrophobicContact CG1-CH2 4.35Å; V183-W186 HydrophobicContact CG1-CZ2 4.21Å; V183-W186 HydrophobicContact CG2-CH2 4.5Å; V183-W186 HydrophobicContact CG2-CZ2 3.78Å; V183-W186 PolarHBondContact O-N 2.84Å; V183-W186 VanDerWaalsContact O-N 3.08Å; W186-K188 WeakPolarHBondContact O-CG 3.43Å; W186-K188 PolarHBondContact O-N 2.99Å; W186-M191 HydrophobicContact CE3-CE 3.72Å; W186-M191 HydrophobicContact CE3-SD 3.81Å; W186-M191 HydrophobicContact CZ3-CE 3.6Å; W186-M191 HydrophobicContact CZ3-SD 4.03Å; W186-I196 HydrophobicContact CH2-CG2 4.1Å; W186-I196 WeakPolarHBondContact CH2-O 3.47Å; W186-I196 HydrophobicContact CZ3-CB 4.34Å; W186-I196 HydrophobicContact CZ3-CG1 4.2Å; W186-I196 HydrophobicContact CZ3-CG2 4.2Å; W186-K199 HydrophobicContact CD2-CD 3.81Å; W186-K199 HydrophobicContact CE3-CD 3.92Å; W186-K199 HydrophobicContact CG-CD 4.46Å; W186-K199 VanDerWaalsContact CG-NZ 3.33Å; W186-K199 HydrophobicContact CH2-CB 3.97Å; W186-K199 HydrophobicContact CH2-CD 4.02Å; W186-K199 HydrophobicContact CH2-CG 4.12Å; W186-K199 HydrophobicContact CZ2-CB 4.07Å; W186-K199 HydrophobicContact CZ2-CD 3.85Å; W186-K199 HydrophobicContact CZ2-CG 3.79Å; W186-K199 HydrophobicContact CZ3-CD 4.05Å
187	I	98.8	Very high	98.9	Very high	4 Å²	4	38.5 Å²	38.5	2%	0.021	21%	0.205	C	C	.	.			trans	-61.2	125	176.4	-167.9	170.4	0	0	0	108.9	V183 I196 L242 I250 V267 F269	V183-I187 HydrophobicContact CG1-CB 4.25Å; V183-I187 HydrophobicContact CG1-CD1 4.46Å; V183-I187 HydrophobicContact CG1-CG2 4.38Å; V183-I187 WeakPolarHBondContact O-CB 3.5Å; V183-I187 WeakPolarHBondContact O-CG2 3.38Å; V183-I187 PolarHBondContact O-N 2.71Å; I187-I196 HydrophobicContact CD1-CD1 4.26Å; I187-I196 HydrophobicContact CD1-CG2 3.86Å; I187-I196 HydrophobicContact CG1-CD1 4.11Å; I187-I196 HydrophobicContact CG1-CG1 4.36Å; I187-I196 HydrophobicContact CG1-CG2 4.32Å; I187-L242 HydrophobicContact CD1-CD2 4.12Å; I187-L242 HydrophobicContact CG1-CD2 3.79Å; I187-I250 HydrophobicContact CD1-CD1 3.9Å; I187-I250 HydrophobicContact CD1-CG1 4.15Å; I187-V267 HydrophobicContact CD1-CG1 4.3Å; I187-V267 HydrophobicContact CD1-CG2 4.38Å; I187-V267 HydrophobicContact CG2-CG1 3.95Å; I187-V267 HydrophobicContact CG2-CG2 4.42Å; I187-F269 WeakPolarHBondContact O-CE1 3.5Å
188	K	98.8	Very high	98.9	Very high	95 Å²	95	41.7 Å²	41.7	41%	0.413	22%	0.221	S	C	.	.			trans	-150.3	153.2	-175.6	-65.2	-65.3	168.4	-80.1	0	110.3	S185 W186 M191 F269	S185-K188 PolarHBondContact O-NZ 2.7Å; W186-K188 WeakPolarHBondContact O-CG 3.43Å; W186-K188 PolarHBondContact O-N 2.99Å; K188-M191 PolarHBondContact O-N 3.33Å; K188-F269 HydrophobicContact CD-CE1 4.15Å
189	P	98.9	Very high	98.9	Very high	48 Å²	48	43.6 Å²	43.6	31%	0.312	23%	0.229	S	C	.	.	T	Hydrogen-bonded Turn	trans	-56.5	148.2	169.8	-24.2	36.1	0	0	0	111.7	L242 F269	P189-L242 CarbonylContact C-O 3.58Å; P189-L242 WeakPolarHBondContact CA-O 3.39Å; P189-F269 HydrophobicContact CG-CB 4.33Å; P189-F269 HydrophobicContact CG-CD1 4.28Å; P189-F269 HydrophobicContact CG-CD2 3.44Å; P189-F269 VanDerWaalsContact CG-CD2 3.44Å; P189-F269 HydrophobicContact CG-CE2 3.73Å; P189-F269 HydrophobicContact CG-CG 3.74Å; P189-F269 HydrophobicContact CG-CZ 4.27Å
190	G	98.8	Very high	98.9	Very high	56 Å²	56	43.7 Å²	43.7	58%	0.577	23%	0.229	S	C	*	.	T	Hydrogen-bonded Turn	trans	95.1	-15.6	-176.3	0	0	0	0	0	114.2	V241 L242	G190-V241 VanDerWaalsContact CA-CG1 3.49Å; G190-L242 PolarHBondContact N-O 2.86Å
191	M	98.9	Very high	98.9	Very high	38 Å²	38	43.9 Å²	43.9	19%	0.187	23%	0.23	C	C	.	.	S	Bend	trans	-78.3	140.9	168.9	-62	-177	68.2	0	0	110.4	W186 K188 E195 I196 L242	W186-M191 HydrophobicContact CE3-CE 3.72Å; W186-M191 HydrophobicContact CE3-SD 3.81Å; W186-M191 HydrophobicContact CZ3-CE 3.6Å; W186-M191 HydrophobicContact CZ3-SD 4.03Å; K188-M191 PolarHBondContact O-N 3.33Å; M191-E195 HydrophobicContact CE-CB 4.19Å; M191-I196 HydrophobicContact CB-CD1 4.01Å; M191-I196 HydrophobicContact CB-CG1 3.83Å; M191-I196 HydrophobicContact CE-CG1 4.06Å; M191-I196 HydrophobicContact SD-CG1 4.3Å; M191-L242 PolarHBondContact O-N 2.86Å
192	T	98.9	Very high	98.9	Very high	36 Å²	36	42 Å²	42	22%	0.221	23%	0.226	C	C	.	.	B	Isolated β-bridge	trans	-69	153	168.2	63.3	0	0	0	0	110.6	I194 E195 I196 T240 V241	T192-I194 PolarHBondContact O-N 3.46Å; T192-E195 WeakPolarHBondContact CB-OE2 3.45Å; T192-E195 PolarHBondContact N-OE2 3.3Å; T192-E195 PolarHBondContact O-N 2.86Å; T192-E195 WeakPolarHBondContact OG1-CB 3.36Å; T192-E195 WeakPolarHBondContact OG1-CG 3.32Å; T192-E195 PolarHBondContact OG1-N 3.46Å; T192-E195 VanDerWaalsContact OG1-N 3.17Å; T192-E195 PolarHBondContact OG1-OE2 3.33Å; T192-I196 WeakPolarHBondContact O-CG1 3.46Å; T192-I196 PolarHBondContact O-N 3.43Å; T192-I196 VanDerWaalsContact O-N 3.16Å; T192-T240 CarbonylContact C-O 3.58Å; T192-T240 VanDerWaalsContact CA-O 3.28Å; T192-T240 WeakPolarHBondContact CA-O 3.18Å; T192-V241 HydrophobicContact CG2-CG2 4.03Å
193	M	98.9	Very high	98.9	Very high	1 Å²	1	40.3 Å²	40.3	1%	0.005	22%	0.22	C	C	.	.	H	α-helix	trans	-61.6	-32.6	176	-56.3	-45.5	-62.9	0	0	111.5	I196 C197 C223 L225 Y232 P234 T240 L242	M193-I196 HydrophobicContact CE-CD1 4.21Å; M193-I196 PolarHBondContact O-N 2.85Å; M193-I196 HydrophobicContact SD-CD1 4.08Å; M193-C197 PolarHBondContact O-N 3.18Å; M193-C197 PolarHBondContact O-SG 3.43Å; M193-C197 VanDerWaalsContact O-SG 3.36Å; M193-C223 HydrophobicContact CE-CB 3.46Å; M193-C223 VanDerWaalsContact CE-CB 3.46Å; M193-C223 WeakPolarHBondContact CE-O 3.39Å; M193-C223 WeakPolarHBondContact CE-SG 3.13Å; M193-L225 HydrophobicContact CE-CD1 4.42Å; M193-L225 HydrophobicContact CE-CD2 3.92Å; M193-L225 HydrophobicContact CE-CG 4.34Å; M193-L225 HydrophobicContact CG-CD1 4.38Å; M193-L225 HydrophobicContact SD-CD1 3.99Å; M193-L225 HydrophobicContact SD-CD2 4.3Å; M193-Y232 HydrophobicContact CB-CE1 4.48Å; M193-Y232 HydrophobicContact CG-CE1 4.21Å; M193-P234 HydrophobicContact CB-CB 4.26Å; M193-P234 HydrophobicContact CB-CG 3.95Å; M193-T240 HydrophobicContact CG-CG2 3.78Å; M193-T240 PolarHBondContact N-O 2.93Å; M193-L242 HydrophobicContact SD-CB 3.98Å; M193-L242 HydrophobicContact SD-CD1 4.48Å
194	I	98.9	Very high	98.9	Very high	31 Å²	31	40.3 Å²	40.3	16%	0.159	22%	0.22	C	C	.	.	H	α-helix	trans	-62.1	-51.2	175.5	-66.7	178.2	0	0	0	110.6	T192 I196 C197 E198 P234 D238	T192-I194 PolarHBondContact O-N 3.46Å; I194-I196 PolarHBondContact O-N 2.96Å; I194-C197 PolarHBondContact O-N 3.44Å; I194-E198 HydrophobicContact CG2-CG 4.08Å; I194-E198 WeakPolarHBondContact CG2-OE1 3.28Å; I194-E198 WeakPolarHBondContact O-CB 3.44Å; I194-E198 WeakPolarHBondContact O-CG 3.37Å; I194-E198 PolarHBondContact O-N 2.64Å; I194-P234 HydrophobicContact CB-CG 4.45Å; I194-P234 HydrophobicContact CD1-CB 4.5Å; I194-P234 HydrophobicContact CG1-CB 3.63Å; I194-P234 HydrophobicContact CG1-CG 3.73Å; I194-D238 HydrophobicContact CD1-CB 4.4Å; I194-D238 WeakPolarHBondContact CD1-O 3.12Å
195	E	98.9	Very high	98.9	Very high	99 Å²	99	38.1 Å²	38.1	46%	0.463	21%	0.208	S	C	.	.	H	α-helix	trans	-58.7	-38.1	179.2	-73.3	162.2	142.8	0	0	112.2	M191 T192 K199	M191-E195 HydrophobicContact CE-CB 4.19Å; T192-E195 WeakPolarHBondContact CB-OE2 3.45Å; T192-E195 PolarHBondContact N-OE2 3.3Å; T192-E195 PolarHBondContact O-N 2.86Å; T192-E195 WeakPolarHBondContact OG1-CB 3.36Å; T192-E195 WeakPolarHBondContact OG1-CG 3.32Å; T192-E195 PolarHBondContact OG1-N 3.46Å; T192-E195 VanDerWaalsContact OG1-N 3.17Å; T192-E195 PolarHBondContact OG1-OE2 3.33Å; E195-K199 WeakPolarHBondContact O-CB 3.47Å; E195-K199 PolarHBondContact O-N 2.62Å; E195-K199 VanDerWaalsContact O-N 3.14Å
196	I	98.9	Very high	98.9	Very high	0 Å²	0	39.9 Å²	39.9	0%	0	21%	0.206	C	C	.	.	H	α-helix	trans	-64.8	-53.2	176.8	-65	165.4	0	0	0	110.2	W186 I187 M191 T192 M193 I194 L200 L242 I250	W186-I196 HydrophobicContact CH2-CG2 4.1Å; W186-I196 WeakPolarHBondContact CH2-O 3.47Å; W186-I196 HydrophobicContact CZ3-CB 4.34Å; W186-I196 HydrophobicContact CZ3-CG1 4.2Å; W186-I196 HydrophobicContact CZ3-CG2 4.2Å; I187-I196 HydrophobicContact CD1-CD1 4.26Å; I187-I196 HydrophobicContact CD1-CG2 3.86Å; I187-I196 HydrophobicContact CG1-CD1 4.11Å; I187-I196 HydrophobicContact CG1-CG1 4.36Å; I187-I196 HydrophobicContact CG1-CG2 4.32Å; M191-I196 HydrophobicContact CB-CD1 4.01Å; M191-I196 HydrophobicContact CB-CG1 3.83Å; M191-I196 HydrophobicContact CE-CG1 4.06Å; M191-I196 HydrophobicContact SD-CG1 4.3Å; T192-I196 WeakPolarHBondContact O-CG1 3.46Å; T192-I196 PolarHBondContact O-N 3.43Å; T192-I196 VanDerWaalsContact O-N 3.16Å; M193-I196 HydrophobicContact CE-CD1 4.21Å; M193-I196 PolarHBondContact O-N 2.85Å; M193-I196 HydrophobicContact SD-CD1 4.08Å; I194-I196 PolarHBondContact O-N 2.96Å; I196-L200 WeakPolarHBondContact O-CB 3.35Å; I196-L200 PolarHBondContact O-N 3.14Å; I196-L242 HydrophobicContact CD1-CB 4.02Å; I196-L242 HydrophobicContact CD1-CD2 3.73Å; I196-L242 HydrophobicContact CD1-CG 4.49Å; I196-I250 HydrophobicContact CG2-CD1 4.39Å
197	C	98.9	Very high	98.9	Very high	0 Å²	0	38.5 Å²	38.5	0%	0	20%	0.201	C	C	.	.	H	α-helix	trans	-62.3	-47.9	-178.8	-69.3	0	0	0	0	111.9	M193 I194 K199 L200 E201 C223	M193-C197 PolarHBondContact O-N 3.18Å; M193-C197 PolarHBondContact O-SG 3.43Å; M193-C197 VanDerWaalsContact O-SG 3.36Å; I194-C197 PolarHBondContact O-N 3.44Å; C197-K199 PolarHBondContact O-N 2.91Å; C197-L200 PolarHBondContact O-N 2.91Å; C197-E201 WeakPolarHBondContact O-CB 3.39Å; C197-E201 WeakPolarHBondContact O-CG 3.43Å; C197-E201 PolarHBondContact O-N 3.36Å; C197-C223 VanDerWaalsContact SG-SG 3.63Å
198	E	98.9	Very high	98.9	Very high	98 Å²	98	38.4 Å²	38.4	46%	0.458	20%	0.2	S	C	.	.	H	α-helix	trans	-61.3	-45	-178.9	-71.1	-178.6	166.5	0	0	111.7	I194 L200 E201 D202	I194-E198 HydrophobicContact CG2-CG 4.08Å; I194-E198 WeakPolarHBondContact CG2-OE1 3.28Å; I194-E198 WeakPolarHBondContact O-CB 3.44Å; I194-E198 WeakPolarHBondContact O-CG 3.37Å; I194-E198 PolarHBondContact O-N 2.64Å; E198-L200 PolarHBondContact O-N 3.05Å; E198-E201 PolarHBondContact O-N 3.14Å; E198-D202 VanDerWaalsContact O-CB 3.31Å; E198-D202 WeakPolarHBondContact O-CB 3.44Å; E198-D202 PolarHBondContact O-N 3.12Å
199	K	98.9	Very high	98.9	Very high	73 Å²	73	39.3 Å²	39.3	32%	0.317	20%	0.204	S	C	.	.	H	α-helix	trans	-65.7	-37.1	178.8	-173.1	175.3	178.2	-174.6	0	112.8	Y182 W186 E195 C197 C203	Y182-K199 HydrophobicContact CE1-CG 4.49Å; Y182-K199 WeakPolarHBondContact OH-CE 3.46Å; W186-K199 HydrophobicContact CD2-CD 3.81Å; W186-K199 HydrophobicContact CE3-CD 3.92Å; W186-K199 HydrophobicContact CG-CD 4.46Å; W186-K199 VanDerWaalsContact CG-NZ 3.33Å; W186-K199 HydrophobicContact CH2-CB 3.97Å; W186-K199 HydrophobicContact CH2-CD 4.02Å; W186-K199 HydrophobicContact CH2-CG 4.12Å; W186-K199 HydrophobicContact CZ2-CB 4.07Å; W186-K199 HydrophobicContact CZ2-CD 3.85Å; W186-K199 HydrophobicContact CZ2-CG 3.79Å; W186-K199 HydrophobicContact CZ3-CD 4.05Å; E195-K199 WeakPolarHBondContact O-CB 3.47Å; E195-K199 PolarHBondContact O-N 2.62Å; E195-K199 VanDerWaalsContact O-N 3.14Å; C197-K199 PolarHBondContact O-N 2.91Å; K199-C203 PolarHBondContact O-N 3.5Å
200	L	98.9	Very high	98.9	Very high	1 Å²	1	40.9 Å²	40.9	1%	0.005	21%	0.207	C	C	.	.	H	α-helix	trans	-65.9	-52.7	174.4	-176.6	160.5	0	0	0	110.5	V179 V183 I196 C197 E198 D202 C203 S204 T221 I250 F252	V179-L200 HydrophobicContact CG1-CD2 3.99Å; V179-L200 HydrophobicContact CG1-CG 3.88Å; V183-L200 HydrophobicContact CB-CD1 4.5Å; V183-L200 HydrophobicContact CG1-CD1 4.28Å; V183-L200 HydrophobicContact CG2-CB 3.99Å; V183-L200 HydrophobicContact CG2-CD1 3.51Å; V183-L200 HydrophobicContact CG2-CG 3.57Å; I196-L200 WeakPolarHBondContact O-CB 3.35Å; I196-L200 PolarHBondContact O-N 3.14Å; C197-L200 PolarHBondContact O-N 2.91Å; E198-L200 PolarHBondContact O-N 3.05Å; L200-D202 VanDerWaalsContact C-N 3.32Å; L200-D202 PolarHBondContact O-N 3.04Å; L200-C203 WeakPolarHBondContact O-CB 3.49Å; L200-C203 PolarHBondContact O-N 3.36Å; L200-S204 PolarHBondContact O-N 3.45Å; L200-T221 HydrophobicContact CD1-CG2 3.77Å; L200-T221 HydrophobicContact CD2-CG2 4.13Å; L200-T221 HydrophobicContact CG-CG2 4.41Å; L200-I250 HydrophobicContact CD1-CG2 3.78Å; L200-F252 HydrophobicContact CD1-CD1 4.08Å; L200-F252 HydrophobicContact CD1-CE1 4.37Å; L200-F252 HydrophobicContact CD1-CG 4.4Å; L200-F252 HydrophobicContact CD2-CB 4.17Å; L200-F252 HydrophobicContact CD2-CD1 4.31Å; L200-F252 HydrophobicContact CD2-CD2 3.85Å; L200-F252 HydrophobicContact CD2-CE2 4.31Å; L200-F252 HydrophobicContact CD2-CG 3.85Å
201	E	98.9	Very high	98.9	Very high	4 Å²	4	42.8 Å²	42.8	2%	0.019	20%	0.204	C	C	.	.	H	α-helix	trans	-64	-36	-176.5	-67.1	171.7	-159.1	0	0	111.8	C197 E198 S204 R205 L217 T221 R418 W419	C197-E201 WeakPolarHBondContact O-CB 3.39Å; C197-E201 WeakPolarHBondContact O-CG 3.43Å; C197-E201 PolarHBondContact O-N 3.36Å; E198-E201 PolarHBondContact O-N 3.14Å; E201-S204 PolarHBondContact O-N 3.08Å; E201-R205 VanDerWaalsContact CB-NH1 3.27Å; E201-R205 WeakPolarHBondContact O-CB 3.16Å; E201-R205 VanDerWaalsContact O-CG 3.31Å; E201-R205 WeakPolarHBondContact O-CG 3.29Å; E201-R205 PolarHBondContact O-N 2.6Å; E201-R205 IonicContact OE2-CZ 3.17Å; E201-R205 IonicContact OE2-NH1 3.31Å; E201-R205 PolarHBondContact OE2-NH1 3.22Å; E201-R205 IonicContact OE2-NH2 3.72Å; E201-R205 PolarHBondContact OE2-NH2 3.02Å; E201-L217 HydrophobicContact CB-CD1 3.95Å; E201-L217 HydrophobicContact CG-CD1 3.99Å; E201-T221 VanDerWaalsContact CG-OG1 3.29Å; E201-T221 WeakPolarHBondContact CG-OG1 3.37Å; E201-R418 IonicContact OE1-CZ 2.68Å; E201-R418 VanDerWaalsContact OE1-CZ 3.3Å; E201-R418 IonicContact OE1-NH1 2.77Å; E201-R418 PolarHBondContact OE1-NH1 2.61Å; E201-R418 IonicContact OE1-NH2 2.65Å; E201-R418 PolarHBondContact OE1-NH2 3.17Å; E201-R418 IonicContact OE2-NH1 3.3Å; E201-R418 PolarHBondContact OE2-NH1 3.17Å; E201-W419 VanDerWaalsContact CD-NE1 3.35Å; E201-W419 PolarHBondContact OE1-NE1 3.01Å; E201-W419 PolarHBondContact OE2-NE1 3.35Å
202	D	98.9	Very high	98.9	Very high	82 Å²	82	43.5 Å²	43.5	44%	0.439	22%	0.221	S	C	.	.	H	α-helix	trans	-63	-41.1	174.3	-84.5	-2.3	0	0	0	112.9	E198 L200 R205 K206	E198-D202 VanDerWaalsContact O-CB 3.31Å; E198-D202 WeakPolarHBondContact O-CB 3.44Å; E198-D202 PolarHBondContact O-N 3.12Å; L200-D202 VanDerWaalsContact C-N 3.32Å; L200-D202 PolarHBondContact O-N 3.04Å; D202-R205 IonicContact OD1-NH1 3.67Å; D202-K206 WeakPolarHBondContact O-CD 3.43Å; D202-K206 VanDerWaalsContact O-CG 3.31Å; D202-K206 WeakPolarHBondContact O-CG 3.35Å; D202-K206 PolarHBondContact O-N 3.14Å
203	C	98.9	Very high	98.9	Very high	5 Å²	5	44.3 Å²	44.3	3%	0.034	22%	0.224	C	C	.	.	H	α-helix	trans	-63.8	-47.9	173	-173.5	0	0	0	0	109.8	Y182 K199 L200 R205 K206 L207	Y182-C203 HydrophobicContact CD1-CB 4.08Å; Y182-C203 HydrophobicContact CE1-CB 4.31Å; K199-C203 PolarHBondContact O-N 3.5Å; L200-C203 WeakPolarHBondContact O-CB 3.49Å; L200-C203 PolarHBondContact O-N 3.36Å; C203-R205 PolarHBondContact O-N 2.86Å; C203-K206 WeakPolarHBondContact O-CB 3.29Å; C203-K206 PolarHBondContact O-N 2.89Å; C203-L207 WeakPolarHBondContact O-CG 3.36Å; C203-L207 PolarHBondContact O-N 3.16Å
204	S	98.9	Very high	98.9	Very high	0 Å²	0	48.8 Å²	48.8	0%	0	25%	0.248	C	C	.	.	H	α-helix	trans	-60.6	-46.5	-177.7	-166.2	0	0	0	0	112.7	L200 E201 K206 L207 I208 L217 T254	L200-S204 PolarHBondContact O-N 3.45Å; E201-S204 PolarHBondContact O-N 3.08Å; S204-K206 VanDerWaalsContact C-N 3.3Å; S204-K206 PolarHBondContact O-N 3.37Å; S204-L207 PolarHBondContact O-N 3.1Å; S204-I208 WeakPolarHBondContact O-CB 3.43Å; S204-I208 VanDerWaalsContact O-CG2 3.23Å; S204-I208 WeakPolarHBondContact O-CG2 3.38Å; S204-I208 PolarHBondContact O-N 3.29Å; S204-L217 VanDerWaalsContact CB-CD2 3.5Å; S204-L217 WeakPolarHBondContact OG-CD2 3.33Å; S204-T254 WeakPolarHBondContact OG-CG2 3.42Å
205	R	98.9	Very high	98.9	Very high	24 Å²	24	47.8 Å²	47.8	9%	0.091	24%	0.244	C	C	.	.	H	α-helix	trans	-58.2	-39.4	175.3	-72	177.1	-173.8	103.1	11.5	112.9	E201 D202 C203 K209 E210 L217	E201-R205 VanDerWaalsContact CB-NH1 3.27Å; E201-R205 WeakPolarHBondContact O-CB 3.16Å; E201-R205 VanDerWaalsContact O-CG 3.31Å; E201-R205 WeakPolarHBondContact O-CG 3.29Å; E201-R205 PolarHBondContact O-N 2.6Å; E201-R205 IonicContact OE2-CZ 3.17Å; E201-R205 IonicContact OE2-NH1 3.31Å; E201-R205 PolarHBondContact OE2-NH1 3.22Å; E201-R205 IonicContact OE2-NH2 3.72Å; E201-R205 PolarHBondContact OE2-NH2 3.02Å; D202-R205 IonicContact OD1-NH1 3.67Å; C203-R205 PolarHBondContact O-N 2.86Å; R205-K209 PolarHBondContact O-N 3.27Å; R205-K209 VanDerWaalsContact O-N 3.17Å; R205-E210 HydrophobicContact CB-CB 4.13Å; R205-E210 VanDerWaalsContact CD-OE2 3.3Å; R205-E210 WeakPolarHBondContact CD-OE2 3.46Å; R205-E210 HydrophobicContact CG-CB 4.29Å; R205-E210 HydrophobicContact CG-CG 4.47Å; R205-E210 IonicContact NE-OE1 3.83Å; R205-E210 PolarHBondContact NE-OE1 3.44Å; R205-E210 IonicContact NE-OE2 2.72Å; R205-E210 PolarHBondContact O-N 3.46Å; R205-L217 HydrophobicContact CG-CD1 4.11Å; R205-L217 HydrophobicContact CG-CD2 4.26Å; R205-L217 HydrophobicContact CG-CG 4.14Å
206	K	98.9	Very high	98.9	Very high	114 Å²	114	43.1 Å²	43.1	50%	0.496	22%	0.223	S	C	.	.	H	α-helix	trans	-67.8	-48.5	176.4	-71.1	168	-173.9	163.8	0	111.4	D202 C203 S204 K209	D202-K206 WeakPolarHBondContact O-CD 3.43Å; D202-K206 VanDerWaalsContact O-CG 3.31Å; D202-K206 WeakPolarHBondContact O-CG 3.35Å; D202-K206 PolarHBondContact O-N 3.14Å; C203-K206 WeakPolarHBondContact O-CB 3.29Å; C203-K206 PolarHBondContact O-N 2.89Å; S204-K206 VanDerWaalsContact C-N 3.3Å; S204-K206 PolarHBondContact O-N 3.37Å; K206-K209 PolarHBondContact O-N 2.97Å
207	L	98.9	Very high	98.9	Very high	0 Å²	0	44 Å²	44	0%	0	23%	0.227	C	C	.	.	H	α-helix	trans	-69.9	-37.7	-175.4	-62.6	-162.2	0	0	0	112.2	P116 V118 P119 I120 A175 Q178 V179 C203 S204 K209	P116-L207 HydrophobicContact CB-CD1 3.89Å; P116-L207 HydrophobicContact CB-CD2 3.92Å; P116-L207 HydrophobicContact CB-CG 4.35Å; V118-L207 VanDerWaalsContact O-CD2 3.25Å; V118-L207 WeakPolarHBondContact O-CD2 3.15Å; P119-L207 WeakPolarHBondContact CA-O 3.48Å; I120-L207 HydrophobicContact CD1-CB 4.39Å; I120-L207 HydrophobicContact CG1-CB 4.4Å; I120-L207 WeakPolarHBondContact CG1-O 3.48Å; I120-L207 PolarHBondContact N-O 3.07Å; A175-L207 HydrophobicContact CB-CB 4.31Å; Q178-L207 HydrophobicContact CB-CD1 3.56Å; V179-L207 HydrophobicContact CG2-CD1 3.95Å; V179-L207 HydrophobicContact CG2-CG 4.45Å; C203-L207 WeakPolarHBondContact O-CG 3.36Å; C203-L207 PolarHBondContact O-N 3.16Å; S204-L207 PolarHBondContact O-N 3.1Å; L207-K209 VanDerWaalsContact C-N 3.27Å; L207-K209 PolarHBondContact O-N 2.94Å
208	I	98.9	Very high	98.9	Very high	1 Å²	1	44 Å²	44	1%	0.005	23%	0.227	C	C	.	.	H	α-helix	trans	-79.4	-9.7	176.5	-154.4	61.6	0	0	0	113.3	A172 A175 S204 E210 T254 I256	A172-I208 HydrophobicContact CB-CD1 4.27Å; A175-I208 HydrophobicContact CB-CB 4.48Å; A175-I208 HydrophobicContact CB-CD1 3.81Å; S204-I208 WeakPolarHBondContact O-CB 3.43Å; S204-I208 VanDerWaalsContact O-CG2 3.23Å; S204-I208 WeakPolarHBondContact O-CG2 3.38Å; S204-I208 PolarHBondContact O-N 3.29Å; I208-E210 HydrophobicContact CG2-CB 4.49Å; I208-T254 HydrophobicContact CD1-CG2 4.44Å; I208-I256 HydrophobicContact CD1-CD1 3.68Å; I208-I256 HydrophobicContact CD1-CG1 3.99Å; I208-I256 HydrophobicContact CG1-CD1 3.95Å
209	K	98.9	Very high	98.9	Very high	114 Å²	114	40.2 Å²	40.2	50%	0.496	21%	0.21	S	C	.	.	T	Hydrogen-bonded Turn	trans	54.4	62	-173.8	-162.9	174.5	179	176.8	0	111.8	P119 C121 R205 K206 L207 N211	P119-K209 HydrophobicContact CB-CB 4.1Å; P119-K209 HydrophobicContact CB-CD 4.29Å; P119-K209 HydrophobicContact CG-CB 4.43Å; P119-K209 HydrophobicContact CG-CD 4.46Å; P119-K209 HydrophobicContact CG-CG 4.49Å; C121-K209 VanDerWaalsContact SG-CD 3.51Å; R205-K209 PolarHBondContact O-N 3.27Å; R205-K209 VanDerWaalsContact O-N 3.17Å; K206-K209 PolarHBondContact O-N 2.97Å; L207-K209 VanDerWaalsContact C-N 3.27Å; L207-K209 PolarHBondContact O-N 2.94Å; K209-N211 PolarHBondContact O-N 3.21Å
210	E	98.8	Very high	98.9	Very high	81 Å²	81	36.8 Å²	36.8	38%	0.379	20%	0.195	S	C	.	.			trans	-43.2	124.9	-178	-172.6	180	-123.5	0	0	111.9	R205 I208 A215 R422	R205-E210 HydrophobicContact CB-CB 4.13Å; R205-E210 VanDerWaalsContact CD-OE2 3.3Å; R205-E210 WeakPolarHBondContact CD-OE2 3.46Å; R205-E210 HydrophobicContact CG-CB 4.29Å; R205-E210 HydrophobicContact CG-CG 4.47Å; R205-E210 IonicContact NE-OE1 3.83Å; R205-E210 PolarHBondContact NE-OE1 3.44Å; R205-E210 IonicContact NE-OE2 2.72Å; R205-E210 PolarHBondContact O-N 3.46Å; I208-E210 HydrophobicContact CG2-CB 4.49Å; E210-A215 CarbonylContact C-O 3.58Å; E210-A215 WeakPolarHBondContact CA-O 3.46Å; E210-R422 IonicContact OE2-NH2 3.72Å
211	N	98.7	Very high	98.9	Very high	97 Å²	97	36.9 Å²	36.9	52%	0.519	20%	0.195	S	C	.	.	B	Isolated β-bridge	trans	-149.7	74.1	-174.3	-178.9	24.4	0	0	0	110.9	K209 L213 N214 A215	K209-N211 PolarHBondContact O-N 3.21Å; N211-L213 PolarHBondContact O-N 3.17Å; N211-N214 WeakPolarHBondContact O-CB 3.47Å; N211-N214 PolarHBondContact O-N 2.78Å; N211-A215 HydrophobicContact CB-CB 4.41Å; N211-A215 PolarHBondContact N-O 3.05Å
212	G	98.4	Very high	98.8	Very high	53 Å²	53	36.9 Å²	36.9	55%	0.546	20%	0.197	S	C	.	.	T	Hydrogen-bonded Turn	trans	52	-133.5	-175.8	0	0	0	0	0	111.1	N214	G212-N214 VanDerWaalsContact C-N 3.31Å; G212-N214 PolarHBondContact O-N 2.78Å
213	L	98.6	Very high	98.8	Very high	53 Å²	53	33 Å²	33	28%	0.277	18%	0.176	S	C	.	.	T	Hydrogen-bonded Turn	trans	-79.7	-8.1	177.4	-61.1	178.4	0	0	0	113.9	N211 H255 Y336 N409	N211-L213 PolarHBondContact O-N 3.17Å; L213-H255 PolarHBondContact O-CE1 3.33Å; L213-H255 VanDerWaalsContact O-CE1 3.27Å; L213-Y336 HydrophobicContact CB-CE1 4.4Å; L213-Y336 VanDerWaalsContact O-CE1 3.24Å; L213-Y336 WeakPolarHBondContact O-CE1 3.36Å; L213-Y336 PolarHBondContact O-OH 2.83Å; L213-Y336 VanDerWaalsContact O-OH 3.05Å; L213-N409 WeakPolarHBondContact CD2-O 3.15Å
214	N	98.8	Very high	98.8	Very high	94 Å²	94	32.9 Å²	32.9	50%	0.503	18%	0.175	S	C	.	.	T	Hydrogen-bonded Turn	trans	-77.4	-32	-177.7	-62.8	-44.4	0	0	0	112.4	N211 G212 I256 S257	N211-N214 WeakPolarHBondContact O-CB 3.47Å; N211-N214 PolarHBondContact O-N 2.78Å; G212-N214 VanDerWaalsContact C-N 3.31Å; G212-N214 PolarHBondContact O-N 2.78Å; N214-I256 CarbonylContact O-C 3.6Å; N214-S257 PolarHBondContact O-N 3.31Å
215	A	98.9	Very high	98.8	Very high	10 Å²	10	33.9 Å²	33.9	8%	0.083	18%	0.18	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-153.5	134.4	179.4	0	0	0	0	0	109	E210 N211 H255 I256	E210-A215 CarbonylContact C-O 3.58Å; E210-A215 WeakPolarHBondContact CA-O 3.46Å; N211-A215 HydrophobicContact CB-CB 4.41Å; N211-A215 PolarHBondContact N-O 3.05Å; A215-H255 WeakPolarHBondContact CA-O 3.36Å; A215-I256 HydrophobicContact CB-CD1 3.54Å
216	G	98.9	Very high	98.8	Very high	2 Å²	2	34.5 Å²	34.5	2%	0.021	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	173.6	-164.6	-174.7	0	0	0	0	0	115	H255	G216-H255 PolarHBondContact N-O 2.81Å; G216-H255 VanDerWaalsContact N-O 3.09Å; G216-H255 PolarHBondContact O-CD2 3.11Å; G216-H255 PolarHBondContact O-N 2.97Å
217	L	98.9	Very high	98.8	Very high	17 Å²	17	30.7 Å²	30.7	9%	0.089	17%	0.171	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.4	127.6	174.6	-50.1	-173.8	0	0	0	108.7	E201 S204 R205 G253 W419	E201-L217 HydrophobicContact CB-CD1 3.95Å; E201-L217 HydrophobicContact CG-CD1 3.99Å; S204-L217 VanDerWaalsContact CB-CD2 3.5Å; S204-L217 WeakPolarHBondContact OG-CD2 3.33Å; R205-L217 HydrophobicContact CG-CD1 4.11Å; R205-L217 HydrophobicContact CG-CD2 4.26Å; R205-L217 HydrophobicContact CG-CG 4.14Å; L217-G253 WeakPolarHBondContact CA-O 3.49Å; L217-W419 HydrophobicContact CB-CH2 3.62Å; L217-W419 HydrophobicContact CB-CZ2 3.97Å; L217-W419 HydrophobicContact CD1-CH2 4.16Å; L217-W419 HydrophobicContact CD1-CZ2 3.6Å; L217-W419 HydrophobicContact CG-CZ2 4.44Å
218	A	98.9	Very high	98.8	Very high	0 Å²	0	30.9 Å²	30.9	0%	0	17%	0.172	C	C	.	.	S	Bend	trans	-78.8	-31.7	-174.8	0	0	0	0	0	113	G253 H255 I260	A218-G253 PolarHBondContact N-O 3.39Å; A218-H255 HydrophobicContact CB-CB 4.29Å; A218-I260 HydrophobicContact CB-CB 4.22Å; A218-I260 HydrophobicContact CB-CG1 3.93Å; A218-I260 HydrophobicContact CB-CG2 3.45Å; A218-I260 VanDerWaalsContact CB-CG2 3.45Å
219	F	98.9	Very high	98.8	Very high	20 Å²	20	30.8 Å²	30.8	9%	0.088	17%	0.171	C	C	.	.	S	Bend	trans	-159.7	161.4	178.4	54.5	-96.3	0	0	0	110	D251 F252 G253 I260 D262 I338 A414 W419	F219-D251 WeakPolarHBondContact CE2-OD1 3.4Å; F219-F252 VanDerWaalsContact CE2-CA 3.43Å; F219-G253 VanDerWaalsContact CE2-N 3.29Å; F219-G253 VanDerWaalsContact CZ-CA 3.42Å; F219-I260 HydrophobicContact CE1-CG2 4.32Å; F219-D262 HydrophobicContact CE1-CB 4.12Å; F219-D262 HydrophobicContact CZ-CB 4.37Å; F219-D262 WeakPolarHBondContact CZ-OD1 3.36Å; F219-I338 HydrophobicContact CD1-CD1 3.67Å; F219-I338 HydrophobicContact CD1-CG1 4.28Å; F219-I338 HydrophobicContact CE1-CD1 3.71Å; F219-A414 HydrophobicContact CB-CB 3.83Å; F219-W419 WeakPolarHBondContact O-CH2 3.37Å
220	P	98.9	Very high	98.8	Very high	0 Å²	0	25.6 Å²	25.6	0%	0	15%	0.15	C	C	.	.			trans	-62.4	151.7	-176.2	-19.3	30.9	0	0	0	113.4	G222 T233 H382 C416 W419	P220-G222 PolarHBondContact O-N 2.9Å; P220-T233 HydrophobicContact CB-CG2 4.09Å; P220-H382 WeakPolarHBondContact CB-NE2 3.38Å; P220-C416 HydrophobicContact CB-CB 3.78Å; P220-C416 HydrophobicContact CG-CB 3.59Å; P220-W419 VanDerWaalsContact CA-CZ2 3.5Å; P220-W419 HydrophobicContact CB-CH2 4.33Å; P220-W419 HydrophobicContact CB-CZ2 4.17Å; P220-W419 HydrophobicContact CG-CE3 4.43Å; P220-W419 HydrophobicContact CG-CH2 4.19Å; P220-W419 HydrophobicContact CG-CZ2 4.45Å; P220-W419 HydrophobicContact CG-CZ3 4.16Å
221	T	98.9	Very high	98.8	Very high	3 Å²	3	24.2 Å²	24.2	2%	0.018	14%	0.143	C	C	.	.			trans	-68	101.8	176.4	-58.7	0	0	0	0	111	L200 E201 T233 D251 F252	L200-T221 HydrophobicContact CD1-CG2 3.77Å; L200-T221 HydrophobicContact CD2-CG2 4.13Å; L200-T221 HydrophobicContact CG-CG2 4.41Å; E201-T221 VanDerWaalsContact CG-OG1 3.29Å; E201-T221 WeakPolarHBondContact CG-OG1 3.37Å; T221-T233 WeakPolarHBondContact O-CB 3.39Å; T221-T233 PolarHBondContact O-OG1 3.21Å; T221-D251 CarbonylContact C-O 3.24Å; T221-D251 WeakPolarHBondContact CA-O 3.29Å; T221-F252 HydrophobicContact CG2-CB 4.35Å
222	G	98.9	Very high	98.9	Very high	5 Å²	5	20.5 Å²	20.5	5%	0.052	12%	0.122	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-63.1	130.9	165.1	0	0	0	0	0	110.7	P220 Y232 K249 I250 D251	P220-G222 PolarHBondContact O-N 2.9Å; G222-Y232 CarbonylContact C-O 3.55Å; G222-Y232 WeakPolarHBondContact CA-O 3.17Å; G222-K249 CarbonylContact C-O 3.28Å; G222-K249 VanDerWaalsContact O-O 3.1Å; G222-I250 WeakPolarHBondContact O-CA 3.34Å; G222-D251 WeakPolarHBondContact CA-O 3.45Å; G222-D251 PolarHBondContact N-O 3.46Å; G222-D251 PolarHBondContact O-N 3.03Å
223	C	98.9	Very high	98.9	Very high	0 Å²	0	18 Å²	18	0%	0	10%	0.096	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.7	39.8	177.6	62.8	0	0	0	0	110.5	M193 C197 L225 Y232 K249 I250	M193-C223 HydrophobicContact CE-CB 3.46Å; M193-C223 VanDerWaalsContact CE-CB 3.46Å; M193-C223 WeakPolarHBondContact CE-O 3.39Å; M193-C223 WeakPolarHBondContact CE-SG 3.13Å; C197-C223 VanDerWaalsContact SG-SG 3.63Å; C223-L225 PolarHBondContact O-N 2.95Å; C223-Y232 PolarHBondContact N-O 2.72Å; C223-Y232 WeakPolarHBondContact O-CD1 3.35Å; C223-K249 CarbonylContact C-O 3.52Å; C223-K249 WeakPolarHBondContact CA-O 3.17Å; C223-I250 HydrophobicContact CB-CD1 4.12Å
224	S	98.9	Very high	98.9	Very high	2 Å²	2	15.5 Å²	15.5	1%	0.014	8%	0.083	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-60.4	131.8	-171.5	-52.7	0	0	0	0	111.9	C228 A230 Y232 C248 K249	S224-C228 WeakPolarHBondContact CB-O 3.33Å; S224-A230 WeakPolarHBondContact OG-CA 3.46Å; S224-A230 PolarHBondContact OG-O 3.5Å; S224-Y232 PolarHBondContact OG-N 3.09Å; S224-C248 WeakPolarHBondContact O-CA 3.41Å; S224-K249 PolarHBondContact N-O 3.3Å; S224-K249 WeakPolarHBondContact O-CE 3.13Å; S224-K249 PolarHBondContact O-N 2.89Å; S224-K249 PolarHBondContact O-NZ 3.39Å
225	L	98.9	Very high	98.9	Very high	21 Å²	21	11.8 Å²	11.8	11%	0.11	6%	0.063	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.4	140	-174	-58.9	-179.9	0	0	0	112.1	M193 C223 N227 C228 T240 L242 D246 C248	M193-L225 HydrophobicContact CE-CD1 4.42Å; M193-L225 HydrophobicContact CE-CD2 3.92Å; M193-L225 HydrophobicContact CE-CG 4.34Å; M193-L225 HydrophobicContact CG-CD1 4.38Å; M193-L225 HydrophobicContact SD-CD1 3.99Å; M193-L225 HydrophobicContact SD-CD2 4.3Å; C223-L225 PolarHBondContact O-N 2.95Å; L225-N227 PolarHBondContact O-N 3.2Å; L225-N227 VanDerWaalsContact O-N 3.13Å; L225-C228 VanDerWaalsContact O-CB 3.31Å; L225-C228 WeakPolarHBondContact O-CB 3.47Å; L225-C228 PolarHBondContact O-N 3.18Å; L225-T240 HydrophobicContact CD1-CG2 3.72Å; L225-L242 HydrophobicContact CD2-CD1 3.79Å; L225-D246 HydrophobicContact CD2-CB 4.35Å; L225-C248 HydrophobicContact CD2-CB 3.58Å
226	N	98.9	Very high	98.9	Very high	38 Å²	38	14.8 Å²	14.8	20%	0.203	9%	0.088	C	C	.	.	T	Hydrogen-bonded Turn	trans	59.2	-110.8	165.1	-56.9	-35.4	0	0	0	114	C228 D246 I247 K249 T455	N226-C228 VanDerWaalsContact C-N 3.34Å; N226-D246 PolarHBondContact ND2-OD1 3.44Å; N226-D246 WeakPolarHBondContact OD1-CA 3.43Å; N226-D246 PolarHBondContact OD1-OD1 3.15Å; N226-I247 PolarHBondContact N-O 3.08Å; N226-I247 PolarHBondContact OD1-N 3.48Å; N226-I247 VanDerWaalsContact OD1-N 3.07Å; N226-K249 PolarHBondContact O-NZ 3.41Å; N226-T455 PolarHBondContact O-N 3.32Å; N226-T455 PolarHBondContact O-OG1 3.08Å
227	N	98.9	Very high	98.8	Very high	34 Å²	34	17.9 Å²	17.9	18%	0.182	12%	0.12	C	C	.	.	T	Hydrogen-bonded Turn	trans	-79.1	-16.5	179	65.9	-70	0	0	0	113	L225 A229 C448 D449 I450 S453	L225-N227 PolarHBondContact O-N 3.2Å; L225-N227 VanDerWaalsContact O-N 3.13Å; N227-A229 PolarHBondContact O-N 2.96Å; N227-C448 CarbonylContact O-C 3.44Å; N227-C448 WeakPolarHBondContact O-CA 3.42Å; N227-D449 PolarHBondContact ND2-O 3.22Å; N227-D449 PolarHBondContact O-N 3.08Å; N227-I450 WeakPolarHBondContact CB-O 3.45Å; N227-S453 WeakPolarHBondContact CA-O 3.47Å; N227-S453 WeakPolarHBondContact CB-O 3.22Å; N227-S453 WeakPolarHBondContact CB-OG 3.46Å; N227-S453 PolarHBondContact N-O 3.45Å
228	C	98.9	Very high	98.8	Very high	3 Å²	3	19 Å²	19	2%	0.02	13%	0.126	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-75.7	115.8	170.9	-172.4	0	0	0	0	109.2	S224 L225 N226 K249 M378 L447 C448 T455	S224-C228 WeakPolarHBondContact CB-O 3.33Å; L225-C228 VanDerWaalsContact O-CB 3.31Å; L225-C228 WeakPolarHBondContact O-CB 3.47Å; L225-C228 PolarHBondContact O-N 3.18Å; N226-C228 VanDerWaalsContact C-N 3.34Å; C228-K249 WeakPolarHBondContact O-CE 3.43Å; C228-K249 PolarHBondContact O-NZ 3.43Å; C228-M378 HydrophobicContact CB-CE 3.89Å; C228-M378 VanDerWaalsContact SG-CE 3.5Å; C228-L447 CarbonylContact C-O 3.47Å; C228-C448 WeakPolarHBondContact CB-SG 3.42Å; C228-T455 PolarHBondContact O-OG1 2.83Å
229	A	98.9	Very high	98.8	Very high	0 Å²	0	24.8 Å²	24.8	0%	0	16%	0.162	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.9	-47.2	-177.5	0	0	0	0	0	112.2	N227 K249 I325 L328 F366 V374 L447 T455	N227-A229 PolarHBondContact O-N 2.96Å; A229-K249 WeakPolarHBondContact O-CE 3.28Å; A229-I325 HydrophobicContact CB-CD1 3.69Å; A229-L328 HydrophobicContact CB-CD1 3.8Å; A229-F366 HydrophobicContact CB-CD1 4.05Å; A229-F366 HydrophobicContact CB-CE1 4.41Å; A229-V374 HydrophobicContact CB-CG1 3.91Å; A229-L447 PolarHBondContact N-O 3.32Å; A229-T455 WeakPolarHBondContact CA-OG1 3.45Å; A229-T455 HydrophobicContact CB-CG2 4.35Å
230	A	98.8	Very high	98.8	Very high	5 Å²	5	26.4 Å²	26.4	4%	0.041	17%	0.173	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-145.6	169	-170.2	0	0	0	0	0	112.7	S224 Y232 F366 P446 L447	S224-A230 WeakPolarHBondContact OG-CA 3.46Å; S224-A230 PolarHBondContact OG-O 3.5Å; A230-Y232 PolarHBondContact O-N 2.75Å; A230-Y232 VanDerWaalsContact O-N 3.11Å; A230-F366 HydrophobicContact CB-CE1 4.25Å; A230-F366 HydrophobicContact CB-CZ 4.4Å; A230-P446 WeakPolarHBondContact O-CA 3.3Å; A230-L447 PolarHBondContact O-N 2.78Å
231	H	98.8	Very high	98.8	Very high	52 Å²	52	28.7 Å²	28.7	24%	0.241	19%	0.187	C	C	.	.			trans	61.4	13.1	170.7	-53	160.6	0	0	0	117.5	H382 P445 L447	H231-H382 PolarHBondContact O-CE1 2.99Å; H231-H382 VanDerWaalsContact O-CE1 3.28Å; H231-H382 PolarHBondContact O-ND1 3.37Å; H231-P445 WeakPolarHBondContact CB-O 3.48Å; H231-L447 WeakPolarHBondContact ND1-CD1 3.4Å
232	Y	98.9	Very high	98.8	Very high	19 Å²	19	28.5 Å²	28.5	8%	0.075	19%	0.186	C	C	.	.			trans	-90.2	122.9	165.7	170.1	-98.9	0	0	0	111	M193 G222 C223 S224 A230 D238 M378 P446	M193-Y232 HydrophobicContact CB-CE1 4.48Å; M193-Y232 HydrophobicContact CG-CE1 4.21Å; G222-Y232 CarbonylContact C-O 3.55Å; G222-Y232 WeakPolarHBondContact CA-O 3.17Å; C223-Y232 PolarHBondContact N-O 2.72Å; C223-Y232 WeakPolarHBondContact O-CD1 3.35Å; S224-Y232 PolarHBondContact OG-N 3.09Å; A230-Y232 PolarHBondContact O-N 2.75Å; A230-Y232 VanDerWaalsContact O-N 3.11Å; Y232-D238 PolarHBondContact OH-OD2 3.34Å; Y232-M378 HydrophobicContact CD2-CE 3.97Å; Y232-M378 HydrophobicContact CG-CE 4.23Å; Y232-P446 HydrophobicContact CD2-CG 4.43Å
233	T	98.9	Very high	98.8	Very high	1 Å²	1	33 Å²	33	1%	0.006	21%	0.206	C	C	.	.			trans	-136.3	144.2	160.8	-161.4	0	0	0	0	107.2	P220 T221 S381 H382 C416 R418	P220-T233 HydrophobicContact CB-CG2 4.09Å; T221-T233 WeakPolarHBondContact O-CB 3.39Å; T221-T233 PolarHBondContact O-OG1 3.21Å; T233-S381 WeakPolarHBondContact CG2-OG 3.31Å; T233-S381 PolarHBondContact N-OG 2.92Å; T233-S381 WeakPolarHBondContact O-CB 3.3Å; T233-S381 PolarHBondContact O-OG 3.44Å; T233-H382 VanDerWaalsContact CG2-CE1 3.47Å; T233-H382 WeakPolarHBondContact CG2-CE1 3.28Å; T233-C416 HydrophobicContact CG2-CB 3.83Å; T233-R418 PolarHBondContact OG1-NH2 2.96Å
234	P	98.9	Very high	98.8	Very high	0 Å²	0	38.6 Å²	38.6	0%	0	23%	0.227	C	C	.	.	P	Polyproline II helix	trans	-64.3	141.4	-175.1	25.7	-36.2	0	0	0	111.4	M193 I194 D238 R418	M193-P234 HydrophobicContact CB-CB 4.26Å; M193-P234 HydrophobicContact CB-CG 3.95Å; I194-P234 HydrophobicContact CB-CG 4.45Å; I194-P234 HydrophobicContact CD1-CB 4.5Å; I194-P234 HydrophobicContact CG1-CB 3.63Å; I194-P234 HydrophobicContact CG1-CG 3.73Å; P234-D238 HydrophobicContact CB-CB 3.66Å; P234-R418 WeakPolarHBondContact O-CD 3.18Å; P234-R418 WeakPolarHBondContact O-CG 3.33Å; P234-R418 PolarHBondContact O-NE 3.18Å
235	N	98.9	Very high	98.8	Very high	15 Å²	15	41.9 Å²	41.9	8%	0.08	25%	0.245	C	C	.	.	P	Polyproline II helix	trans	-85.2	168.4	162.9	-72.9	-37.7	0	0	0	109.8	G237 D238 C380 S381 R417	N235-G237 PolarHBondContact O-N 2.89Å; N235-D238 VanDerWaalsContact O-CB 3.31Å; N235-D238 WeakPolarHBondContact O-CB 3.42Å; N235-D238 PolarHBondContact O-N 3.41Å; N235-D238 VanDerWaalsContact O-N 3.14Å; N235-C380 PolarHBondContact ND2-O 3.17Å; N235-S381 WeakPolarHBondContact OD1-CB 3.47Å; N235-R417 WeakPolarHBondContact OD1-CB 3.38Å; N235-R417 WeakPolarHBondContact OD1-CD 3.21Å; N235-R417 WeakPolarHBondContact OD1-CG 3.5Å
236	A	98.3	Very high	98.8	Very high	73 Å²	73	41.6 Å²	41.6	60%	0.603	24%	0.244	S	C	*	.	T	Hydrogen-bonded Turn	trans	-56.5	131.1	174.1	0	0	0	0	0	111.5
237	G	98.3	Very high	98.8	Very high	68 Å²	68	39.8 Å²	39.8	70%	0.701	23%	0.234	S	C	*	.	T	Hydrogen-bonded Turn	trans	87.3	-0.6	-178.7	0	0	0	0	0	115.1	N235 T239	N235-G237 PolarHBondContact O-N 2.89Å; G237-T239 PolarHBondContact O-N 2.87Å
238	D	98.7	Very high	98.8	Very high	41 Å²	41	38.2 Å²	38.2	22%	0.219	23%	0.225	C	C	.	.			trans	-64.1	120	170.1	-169	-24.8	0	0	0	110.1	I194 Y232 P234 N235 T240	I194-D238 HydrophobicContact CD1-CB 4.4Å; I194-D238 WeakPolarHBondContact CD1-O 3.12Å; Y232-D238 PolarHBondContact OH-OD2 3.34Å; P234-D238 HydrophobicContact CB-CB 3.66Å; N235-D238 VanDerWaalsContact O-CB 3.31Å; N235-D238 WeakPolarHBondContact O-CB 3.42Å; N235-D238 PolarHBondContact O-N 3.41Å; N235-D238 VanDerWaalsContact O-N 3.14Å; D238-T240 WeakPolarHBondContact OD1-CB 3.45Å; D238-T240 PolarHBondContact OD1-N 3.3Å; D238-T240 PolarHBondContact OD1-OG1 3.49Å
239	T	98.8	Very high	98.8	Very high	121 Å²	121	38.1 Å²	38.1	74%	0.742	23%	0.225	S	C	*	.			trans	-101.2	15.4	-179.3	62.8	0	0	0	0	112.7	G237 V241	G237-T239 PolarHBondContact O-N 2.87Å; T239-V241 PolarHBondContact O-N 2.82Å
240	T	98.8	Very high	98.8	Very high	53 Å²	53	38.1 Å²	38.1	33%	0.325	23%	0.225	S	C	.	.			trans	-62.9	128	178.7	-57.6	0	0	0	0	109.7	T192 M193 L225 D238	T192-T240 CarbonylContact C-O 3.58Å; T192-T240 VanDerWaalsContact CA-O 3.28Å; T192-T240 WeakPolarHBondContact CA-O 3.18Å; M193-T240 HydrophobicContact CG-CG2 3.78Å; M193-T240 PolarHBondContact N-O 2.93Å; L225-T240 HydrophobicContact CD1-CG2 3.72Å; D238-T240 WeakPolarHBondContact OD1-CB 3.45Å; D238-T240 PolarHBondContact OD1-N 3.3Å; D238-T240 PolarHBondContact OD1-OG1 3.49Å
241	V	98.9	Very high	98.8	Very high	48 Å²	48	38.7 Å²	38.7	29%	0.291	23%	0.227	S	C	.	.	B	Isolated β-bridge	trans	-112	130.1	178.6	175	0	0	0	0	108.1	G190 T192 T239 Q243	G190-V241 VanDerWaalsContact CA-CG1 3.49Å; T192-V241 HydrophobicContact CG2-CG2 4.03Å; T239-V241 PolarHBondContact O-N 2.82Å; V241-Q243 PolarHBondContact O-N 3.26Å; V241-Q243 PolarHBondContact O-NE2 3.4Å
242	L	98.9	Very high	98.8	Very high	0 Å²	0	36.4 Å²	36.4	0%	0	22%	0.216	C	C	.	.			trans	-60.9	127.4	174.6	-176.1	63.2	0	0	0	109.9	I187 P189 G190 M191 M193 I196 L225 D246 C248 F269	I187-L242 HydrophobicContact CD1-CD2 4.12Å; I187-L242 HydrophobicContact CG1-CD2 3.79Å; P189-L242 CarbonylContact C-O 3.58Å; P189-L242 WeakPolarHBondContact CA-O 3.39Å; G190-L242 PolarHBondContact N-O 2.86Å; M191-L242 PolarHBondContact O-N 2.86Å; M193-L242 HydrophobicContact SD-CB 3.98Å; M193-L242 HydrophobicContact SD-CD1 4.48Å; I196-L242 HydrophobicContact CD1-CB 4.02Å; I196-L242 HydrophobicContact CD1-CD2 3.73Å; I196-L242 HydrophobicContact CD1-CG 4.49Å; L225-L242 HydrophobicContact CD2-CD1 3.79Å; L242-D246 HydrophobicContact CD1-CB 3.74Å; L242-C248 HydrophobicContact CD1-CB 3.95Å; L242-F269 HydrophobicContact CD2-CE2 3.69Å; L242-F269 HydrophobicContact CD2-CZ 3.95Å; L242-F269 HydrophobicContact CG-CE2 4.08Å
243	Q	98.9	Very high	98.8	Very high	100 Å²	100	35.5 Å²	35.5	47%	0.467	21%	0.213	S	C	.	.			trans	-101.2	166	-179.8	-55.5	-57.5	-45.8	0	0	112	V241 D246	V241-Q243 PolarHBondContact O-N 3.26Å; V241-Q243 PolarHBondContact O-NE2 3.4Å; Q243-D246 WeakPolarHBondContact CB-OD2 3.32Å; Q243-D246 PolarHBondContact N-OD2 3.19Å; Q243-D246 PolarHBondContact O-N 2.96Å
244	Y	98.9	Very high	98.8	Very high	116 Å²	116	35.5 Å²	35.5	46%	0.455	21%	0.213	S	C	.	.	T	Hydrogen-bonded Turn	trans	-64.7	-39.4	178.2	176.1	-102.4	0	0	0	112.9	D246 F269 N270	Y244-D246 VanDerWaalsContact C-N 3.28Å; Y244-D246 PolarHBondContact O-N 3.14Å; Y244-F269 HydrophobicContact CD2-CB 3.66Å; Y244-F269 HydrophobicContact CE2-CB 3.73Å; Y244-F269 WeakPolarHBondContact CE2-O 3.45Å; Y244-F269 PolarHBondContact OH-O 3.29Å; Y244-N270 HydrophobicContact CD1-CB 4.3Å; Y244-N270 HydrophobicContact CE1-CB 3.71Å
245	D	98.9	Very high	98.8	Very high	72 Å²	72	35.6 Å²	35.6	39%	0.385	21%	0.214	S	C	.	.	T	Hydrogen-bonded Turn	trans	-86.1	5.3	178.8	-74.5	-64.7	0	0	0	113.3	N270 K272 Y273	D245-N270 PolarHBondContact OD1-ND2 3.07Å; D245-K272 WeakPolarHBondContact OD1-CE 3.49Å; D245-K272 IonicContact OD1-NZ 3.26Å; D245-K272 PolarHBondContact OD1-NZ 3.35Å; D245-Y273 WeakPolarHBondContact O-CE2 3.5Å; D245-Y273 PolarHBondContact O-OH 2.84Å
246	D	98.9	Very high	98.8	Very high	15 Å²	15	35.6 Å²	35.6	8%	0.08	21%	0.214	C	C	.	.			trans	-74.8	143.3	177	-75.6	-19.6	0	0	0	111.8	L225 N226 L242 Q243 Y244	L225-D246 HydrophobicContact CD2-CB 4.35Å; N226-D246 PolarHBondContact ND2-OD1 3.44Å; N226-D246 WeakPolarHBondContact OD1-CA 3.43Å; N226-D246 PolarHBondContact OD1-OD1 3.15Å; L242-D246 HydrophobicContact CD1-CB 3.74Å; Q243-D246 WeakPolarHBondContact CB-OD2 3.32Å; Q243-D246 PolarHBondContact N-OD2 3.19Å; Q243-D246 PolarHBondContact O-N 2.96Å; Y244-D246 VanDerWaalsContact C-N 3.28Å; Y244-D246 PolarHBondContact O-N 3.14Å
247	I	98.9	Very high	98.9	Very high	0 Å²	0	34 Å²	34	0%	0	20%	0.198	C	C	.	.			trans	-108.1	103.3	165.3	-177.2	167.9	0	0	0	109.4	N226 K249 T266 T268 Y273 L276 L277 Y454 T455 A456	N226-I247 PolarHBondContact N-O 3.08Å; N226-I247 PolarHBondContact OD1-N 3.48Å; N226-I247 VanDerWaalsContact OD1-N 3.07Å; I247-K249 PolarHBondContact O-NZ 2.93Å; I247-K249 VanDerWaalsContact O-NZ 3.11Å; I247-T266 HydrophobicContact CD1-CG2 3.85Å; I247-T266 HydrophobicContact CG1-CG2 3.38Å; I247-T268 HydrophobicContact CB-CG2 3.97Å; I247-T268 HydrophobicContact CD1-CG2 4.15Å; I247-T268 HydrophobicContact CG1-CG2 3.71Å; I247-Y273 HydrophobicContact CD1-CD1 4.35Å; I247-Y273 HydrophobicContact CD1-CG 4.38Å; I247-L276 HydrophobicContact CD1-CD2 3.93Å; I247-L277 HydrophobicContact CD1-CD1 3.76Å; I247-L277 HydrophobicContact CG1-CD1 4.48Å; I247-Y454 HydrophobicContact CG2-CD1 4.12Å; I247-T455 WeakPolarHBondContact CD1-O 3.45Å; I247-A456 HydrophobicContact CD1-CB 3.92Å
248	C	98.9	Very high	98.9	Very high	0 Å²	0	30.8 Å²	30.8	0%	0	17%	0.165	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.6	123.9	-171.5	-178.9	0	0	0	0	110.7	S224 L225 L242 T266 V267	S224-C248 WeakPolarHBondContact O-CA 3.41Å; L225-C248 HydrophobicContact CD2-CB 3.58Å; L242-C248 HydrophobicContact CD1-CB 3.95Å; C248-T266 CarbonylContact O-C 3.58Å; C248-T266 WeakPolarHBondContact O-CA 3.39Å; C248-V267 HydrophobicContact CB-CB 4.4Å; C248-V267 PolarHBondContact N-O 3.15Å; C248-V267 PolarHBondContact O-N 3.37Å
249	K	98.9	Very high	98.9	Very high	1 Å²	1	31.1 Å²	31.1	0%	0.004	16%	0.163	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.3	115.1	173.2	-72.5	70	62	-167.9	0	108	G222 C223 S224 N226 C228 A229 I247 T266 T455 Q457	G222-K249 CarbonylContact C-O 3.28Å; G222-K249 VanDerWaalsContact O-O 3.1Å; C223-K249 CarbonylContact C-O 3.52Å; C223-K249 WeakPolarHBondContact CA-O 3.17Å; S224-K249 PolarHBondContact N-O 3.3Å; S224-K249 WeakPolarHBondContact O-CE 3.13Å; S224-K249 PolarHBondContact O-N 2.89Å; S224-K249 PolarHBondContact O-NZ 3.39Å; N226-K249 PolarHBondContact O-NZ 3.41Å; C228-K249 WeakPolarHBondContact O-CE 3.43Å; C228-K249 PolarHBondContact O-NZ 3.43Å; A229-K249 WeakPolarHBondContact O-CE 3.28Å; I247-K249 PolarHBondContact O-NZ 2.93Å; I247-K249 VanDerWaalsContact O-NZ 3.11Å; K249-T266 HydrophobicContact CD-CG2 4.48Å; K249-T455 VanDerWaalsContact CD-O 3.26Å; K249-T455 WeakPolarHBondContact CD-O 3.46Å; K249-T455 WeakPolarHBondContact CE-OG1 3.25Å; K249-T455 PolarHBondContact NZ-O 2.92Å; K249-T455 PolarHBondContact NZ-OG1 2.99Å; K249-Q457 HydrophobicContact CB-CB 4.36Å; K249-Q457 HydrophobicContact CG-CB 3.58Å
250	I	98.9	Very high	98.9	Very high	0 Å²	0	25.4 Å²	25.4	0%	0	13%	0.128	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.2	113.8	172.8	-61.9	-61.6	0	0	0	107.5	I187 I196 L200 G222 C223 F252 A264 F265 V267	I187-I250 HydrophobicContact CD1-CD1 3.9Å; I187-I250 HydrophobicContact CD1-CG1 4.15Å; I196-I250 HydrophobicContact CG2-CD1 4.39Å; L200-I250 HydrophobicContact CD1-CG2 3.78Å; G222-I250 WeakPolarHBondContact O-CA 3.34Å; C223-I250 HydrophobicContact CB-CD1 4.12Å; I250-F252 HydrophobicContact CG2-CD1 4Å; I250-F252 HydrophobicContact CG2-CE1 4.39Å; I250-A264 VanDerWaalsContact O-CA 3.3Å; I250-A264 WeakPolarHBondContact O-CA 3.21Å; I250-F265 HydrophobicContact CB-CD1 4.31Å; I250-F265 HydrophobicContact CB-CE1 3.82Å; I250-F265 HydrophobicContact CB-CE2 4.29Å; I250-F265 HydrophobicContact CB-CZ 3.82Å; I250-F265 HydrophobicContact CG1-CE2 4.5Å; I250-F265 HydrophobicContact CG1-CZ 4.27Å; I250-F265 HydrophobicContact CG2-CD1 4.44Å; I250-F265 HydrophobicContact CG2-CE1 3.63Å; I250-F265 HydrophobicContact CG2-CZ 3.81Å; I250-F265 PolarHBondContact N-O 3.46Å; I250-F265 PolarHBondContact O-N 2.93Å; I250-V267 HydrophobicContact CG1-CG2 3.84Å
251	D	98.9	Very high	98.9	Very high	18 Å²	18	22.9 Å²	22.9	10%	0.096	11%	0.112	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134	115.5	-173.7	-173.2	-13.1	0	0	0	108	F219 T221 G222 A264 Q457	F219-D251 WeakPolarHBondContact CE2-OD1 3.4Å; T221-D251 CarbonylContact C-O 3.24Å; T221-D251 WeakPolarHBondContact CA-O 3.29Å; G222-D251 WeakPolarHBondContact CA-O 3.45Å; G222-D251 PolarHBondContact N-O 3.46Å; G222-D251 PolarHBondContact O-N 3.03Å; D251-A264 HydrophobicContact CB-CB 3.73Å; D251-Q457 PolarHBondContact OD2-NE2 2.96Å
252	F	98.9	Very high	98.9	Very high	3 Å²	3	21 Å²	21	1%	0.013	10%	0.1	C	C	.	.			trans	-152.6	148.4	-176.1	73.1	-79.7	0	0	0	111.6	H176 V179 R180 L200 F219 T221 I250 F265	H176-F252 HydrophobicContact CB-CE2 4.49Å; H176-F252 AromaticContact CD2-CD2 3.82Å; H176-F252 AromaticContact CD2-CE1 3.9Å; H176-F252 AromaticContact CD2-CE2 3.37Å; H176-F252 WeakPolarHBondContact CD2-CE2 3.42Å; H176-F252 AromaticContact CD2-CZ 3.42Å; H176-F252 VanDerWaalsContact CD2-CZ 3.42Å; H176-F252 WeakPolarHBondContact CD2-CZ 3.49Å; H176-F252 PolarHBondContact CD2-O 2.87Å; H176-F252 AromaticContact CE1-CE1 3.56Å; H176-F252 AromaticContact CE1-CZ 3.57Å; H176-F252 AromaticContact CG-CE2 3.94Å; H176-F252 AromaticContact CG-CZ 3.78Å; H176-F252 AromaticContact ND1-CZ 3.88Å; H176-F252 AromaticContact NE2-CD1 3.61Å; H176-F252 AromaticContact NE2-CD2 3.97Å; H176-F252 AromaticContact NE2-CE1 3.24Å; H176-F252 WeakPolarHBondContact NE2-CE1 3.46Å; H176-F252 AromaticContact NE2-CE2 3.64Å; H176-F252 AromaticContact NE2-CG 3.96Å; H176-F252 AromaticContact NE2-CZ 3.26Å; H176-F252 VanDerWaalsContact NE2-CZ 3.26Å; H176-F252 WeakPolarHBondContact NE2-CZ 3.34Å; H176-F252 PolarHBondContact NE2-O 3.08Å; V179-F252 HydrophobicContact CB-CE2 3.88Å; V179-F252 HydrophobicContact CB-CZ 3.84Å; V179-F252 HydrophobicContact CG1-CE2 3.63Å; V179-F252 HydrophobicContact CG1-CZ 3.62Å; R180-F252 HydrophobicContact CB-CE1 3.96Å; R180-F252 HydrophobicContact CB-CZ 4Å; L200-F252 HydrophobicContact CD1-CD1 4.08Å; L200-F252 HydrophobicContact CD1-CE1 4.37Å; L200-F252 HydrophobicContact CD1-CG 4.4Å; L200-F252 HydrophobicContact CD2-CB 4.17Å; L200-F252 HydrophobicContact CD2-CD1 4.31Å; L200-F252 HydrophobicContact CD2-CD2 3.85Å; L200-F252 HydrophobicContact CD2-CE2 4.31Å; L200-F252 HydrophobicContact CD2-CG 3.85Å; F219-F252 VanDerWaalsContact CE2-CA 3.43Å; T221-F252 HydrophobicContact CG2-CB 4.35Å; I250-F252 HydrophobicContact CG2-CD1 4Å; I250-F252 HydrophobicContact CG2-CE1 4.39Å; F252-F265 HydrophobicContact CE1-CE1 4.4Å
253	G	98.9	Very high	98.9	Very high	1 Å²	1	21 Å²	21	1%	0.01	10%	0.1	C	C	.	.			trans	-117.5	147.4	-176	0	0	0	0	0	114.5	L217 A218 F219 I261	L217-G253 WeakPolarHBondContact CA-O 3.49Å; A218-G253 PolarHBondContact N-O 3.39Å; F219-G253 VanDerWaalsContact CE2-N 3.29Å; F219-G253 VanDerWaalsContact CZ-CA 3.42Å; G253-I261 WeakPolarHBondContact CA-O 3.45Å
254	T	99	Very high	98.9	Very high	0 Å²	0	16.2 Å²	16.2	0%	0	8%	0.078	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122	153.4	169.5	48.6	0	0	0	0	109.6	A172 A175 S204 I208 I261	A172-T254 PolarHBondContact O-OG1 3.42Å; A175-T254 HydrophobicContact CB-CG2 4.35Å; S204-T254 WeakPolarHBondContact OG-CG2 3.42Å; I208-T254 HydrophobicContact CD1-CG2 4.44Å; T254-I261 PolarHBondContact N-O 3.21Å; T254-I261 PolarHBondContact O-N 3.35Å
255	H	98.9	Very high	98.9	Very high	3 Å²	3	11 Å²	11	1%	0.014	6%	0.058	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-146.3	153.4	170.7	74.2	85.3	0	0	0	113.1	L213 A215 G216 A218 R259 I260 L413	L213-H255 PolarHBondContact O-CE1 3.33Å; L213-H255 VanDerWaalsContact O-CE1 3.27Å; A215-H255 WeakPolarHBondContact CA-O 3.36Å; G216-H255 PolarHBondContact N-O 2.81Å; G216-H255 VanDerWaalsContact N-O 3.09Å; G216-H255 PolarHBondContact O-CD2 3.11Å; G216-H255 PolarHBondContact O-N 2.97Å; A218-H255 HydrophobicContact CB-CB 4.29Å; H255-R259 VanDerWaalsContact CA-O 3.23Å; H255-R259 WeakPolarHBondContact CA-O 3.39Å; H255-R259 WeakPolarHBondContact CB-O 3.37Å; H255-I260 HydrophobicContact CB-CG1 4.07Å; H255-L413 VanDerWaalsContact NE2-CD1 3.27Å; H255-L413 WeakPolarHBondContact NE2-CD1 3.45Å
256	I	98.9	Very high	98.9	Very high	15 Å²	15	8 Å²	8	8%	0.077	4%	0.042	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.8	129.9	162.5	-61.7	-62.1	0	0	0	107.1	D168 E171 A172 I208 N214 A215 G258 R259	D168-I256 HydrophobicContact CB-CB 4.07Å; D168-I256 HydrophobicContact CB-CG2 4Å; E171-I256 HydrophobicContact CB-CG1 4.02Å; E171-I256 HydrophobicContact CG-CD1 4.31Å; E171-I256 HydrophobicContact CG-CG1 3.93Å; A172-I256 HydrophobicContact CB-CG1 4.45Å; I208-I256 HydrophobicContact CD1-CD1 3.68Å; I208-I256 HydrophobicContact CD1-CG1 3.99Å; I208-I256 HydrophobicContact CG1-CD1 3.95Å; N214-I256 CarbonylContact O-C 3.6Å; A215-I256 HydrophobicContact CB-CD1 3.54Å; I256-G258 PolarHBondContact O-N 3.45Å; I256-R259 PolarHBondContact N-O 2.9Å; I256-R259 WeakPolarHBondContact O-CA 3.44Å; I256-R259 VanDerWaalsContact O-CB 3.24Å; I256-R259 WeakPolarHBondContact O-CB 3.4Å; I256-R259 WeakPolarHBondContact O-CG 3.44Å; I256-R259 PolarHBondContact O-N 2.9Å
257	S	98.8	Very high	98.9	Very high	40 Å²	40	7.9 Å²	7.9	28%	0.28	4%	0.042	S	C	.	.	T	Hydrogen-bonded Turn	trans	51.6	30.7	179.6	-51.1	0	0	0	0	114.3	D168 N214 R259 Q335 Y336	D168-S257 VanDerWaalsContact OD2-CB 3.3Å; D168-S257 WeakPolarHBondContact OD2-CB 3.37Å; D168-S257 PolarHBondContact OD2-OG 3.02Å; N214-S257 PolarHBondContact O-N 3.31Å; S257-R259 VanDerWaalsContact C-N 3.3Å; S257-R259 PolarHBondContact O-N 3.49Å; S257-Q335 WeakPolarHBondContact O-CG 3.3Å; S257-Q335 PolarHBondContact O-NE2 2.87Å; S257-Y336 VanDerWaalsContact C-CZ 3.45Å; S257-Y336 VanDerWaalsContact C-OH 3.22Å
258	G	98.8	Very high	98.9	Very high	0 Å²	0	9.2 Å²	9.2	0%	0	5%	0.05	C	C	.	.	T	Hydrogen-bonded Turn	trans	75	9.9	-175.1	0	0	0	0	0	115.4	I256 I260 Q335 Y336	I256-G258 PolarHBondContact O-N 3.45Å; G258-I260 PolarHBondContact O-N 3.08Å; G258-Q335 WeakPolarHBondContact O-CA 3.07Å; G258-Y336 VanDerWaalsContact CA-CD1 3.42Å; G258-Y336 VanDerWaalsContact CA-CZ 3.49Å; G258-Y336 VanDerWaalsContact N-CZ 3.29Å; G258-Y336 PolarHBondContact N-OH 3.13Å; G258-Y336 PolarHBondContact O-N 3.1Å
259	R	98.9	Very high	98.9	Very high	48 Å²	48	11.4 Å²	11.4	18%	0.181	6%	0.06	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.7	99.9	169.9	-53	-49.7	175.4	-177.2	-4.6	108.9	I165 D168 F169 H255 I256 S257	I165-R259 HydrophobicContact CG2-CG 4.48Å; D168-R259 HydrophobicContact CB-CB 4.03Å; D168-R259 HydrophobicContact CB-CG 3.7Å; F169-R259 HydrophobicContact CD1-CB 3.87Å; F169-R259 HydrophobicContact CD2-CB 3.91Å; F169-R259 HydrophobicContact CD2-CG 4.26Å; F169-R259 HydrophobicContact CE1-CB 3.83Å; F169-R259 HydrophobicContact CE2-CB 3.85Å; F169-R259 HydrophobicContact CE2-CG 4.07Å; F169-R259 HydrophobicContact CG-CB 3.9Å; F169-R259 HydrophobicContact CZ-CB 3.8Å; F169-R259 HydrophobicContact CZ-CG 4.36Å; H255-R259 VanDerWaalsContact CA-O 3.23Å; H255-R259 WeakPolarHBondContact CA-O 3.39Å; H255-R259 WeakPolarHBondContact CB-O 3.37Å; I256-R259 PolarHBondContact N-O 2.9Å; I256-R259 WeakPolarHBondContact O-CA 3.44Å; I256-R259 VanDerWaalsContact O-CB 3.24Å; I256-R259 WeakPolarHBondContact O-CB 3.4Å; I256-R259 WeakPolarHBondContact O-CG 3.44Å; I256-R259 PolarHBondContact O-N 2.9Å; S257-R259 VanDerWaalsContact C-N 3.3Å; S257-R259 PolarHBondContact O-N 3.49Å
260	I	98.9	Very high	98.9	Very high	0 Å²	0	12.9 Å²	12.9	0%	0	7%	0.068	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.2	132.3	-167.9	-60.8	162.4	0	0	0	110.7	F169 A218 F219 H255 G258 I333 I338 L413	F169-I260 WeakPolarHBondContact CE1-O 3.47Å; A218-I260 HydrophobicContact CB-CB 4.22Å; A218-I260 HydrophobicContact CB-CG1 3.93Å; A218-I260 HydrophobicContact CB-CG2 3.45Å; A218-I260 VanDerWaalsContact CB-CG2 3.45Å; F219-I260 HydrophobicContact CE1-CG2 4.32Å; H255-I260 HydrophobicContact CB-CG1 4.07Å; G258-I260 PolarHBondContact O-N 3.08Å; I260-I333 HydrophobicContact CB-CG2 4.03Å; I260-I333 HydrophobicContact CD1-CG2 4.49Å; I260-I338 HydrophobicContact CD1-CD1 4.33Å; I260-I338 HydrophobicContact CG2-CD1 3.63Å; I260-L413 HydrophobicContact CD1-CD2 3.73Å; I260-L413 HydrophobicContact CG1-CD2 4.21Å
261	I	98.9	Very high	98.9	Very high	0 Å²	0	16.7 Å²	16.7	0%	0	9%	0.092	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.6	118.4	160	-65.4	-63.7	0	0	0	108.1	F169 A172 A173 H176 G253 T254 C263 T461 V472	F169-I261 HydrophobicContact CB-CD1 4.38Å; F169-I261 HydrophobicContact CD1-CD1 3.98Å; A172-I261 HydrophobicContact CB-CB 4.39Å; A172-I261 HydrophobicContact CB-CG1 3.67Å; A173-I261 HydrophobicContact CB-CD1 3.85Å; A173-I261 HydrophobicContact CB-CG1 3.92Å; H176-I261 HydrophobicContact CB-CG2 4.08Å; G253-I261 WeakPolarHBondContact CA-O 3.45Å; T254-I261 PolarHBondContact N-O 3.21Å; T254-I261 PolarHBondContact O-N 3.35Å; I261-C263 HydrophobicContact CG2-CB 4.08Å; I261-T461 HydrophobicContact CD1-CG2 4.02Å; I261-V472 HydrophobicContact CD1-CG1 3.52Å; I261-V472 HydrophobicContact CD1-CG2 4.49Å
262	D	98.9	Very high	98.9	Very high	8 Å²	8	18 Å²	18	4%	0.043	10%	0.097	C	C	.	.			trans	-107	120.5	167.7	-157	-15.2	0	0	0	109.3	F219 H331 I333 I338 A362 E459 T461	F219-D262 HydrophobicContact CE1-CB 4.12Å; F219-D262 HydrophobicContact CZ-CB 4.37Å; F219-D262 WeakPolarHBondContact CZ-OD1 3.36Å; D262-H331 IonicContact OD2-CE1 3.76Å; D262-H331 PolarHBondContact OD2-CE1 2.9Å; D262-H331 IonicContact OD2-NE2 3.49Å; D262-H331 PolarHBondContact OD2-NE2 2.69Å; D262-I333 HydrophobicContact CB-CD1 3.9Å; D262-I338 HydrophobicContact CB-CD1 4.17Å; D262-I338 VanDerWaalsContact OD2-CD1 3.26Å; D262-I338 WeakPolarHBondContact OD2-CD1 3.45Å; D262-A362 HydrophobicContact CB-CB 4.25Å; D262-E459 VanDerWaalsContact CG-OE1 3.31Å; D262-T461 PolarHBondContact N-OG1 2.81Å; D262-T461 PolarHBondContact O-N 3.01Å; D262-T461 PolarHBondContact O-OG1 3.36Å
263	C	98.9	Very high	98.9	Very high	0 Å²	0	17.9 Å²	17.9	0%	0	10%	0.097	C	C	.	.			trans	-164.7	131	-170.9	-171.8	0	0	0	0	111	H176 R180 I261 E459 Y478	H176-C263 VanDerWaalsContact CE1-CB 3.48Å; H176-C263 WeakPolarHBondContact CE1-CB 3.44Å; H176-C263 PolarHBondContact CE1-O 3.45Å; H176-C263 PolarHBondContact NE2-O 3.05Å; R180-C263 PolarHBondContact NH1-SG 2.92Å; R180-C263 VanDerWaalsContact NH1-SG 3.41Å; I261-C263 HydrophobicContact CG2-CB 4.08Å; C263-E459 PolarHBondContact SG-O 3.48Å; C263-Y478 PolarHBondContact SG-OH 3.42Å
264	A	98.9	Very high	98.9	Very high	0 Å²	0	22.1 Å²	22.1	0%	0	12%	0.119	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.2	154.8	-171	0	0	0	0	0	112.1	I250 D251 Q457 E459 Y478	I250-A264 VanDerWaalsContact O-CA 3.3Å; I250-A264 WeakPolarHBondContact O-CA 3.21Å; D251-A264 HydrophobicContact CB-CB 3.73Å; A264-Q457 HydrophobicContact CB-CG 4.25Å; A264-E459 HydrophobicContact CB-CB 3.91Å; A264-E459 PolarHBondContact N-O 3.37Å; A264-E459 PolarHBondContact O-N 2.87Å; A264-E459 VanDerWaalsContact O-N 3.09Å; A264-Y478 VanDerWaalsContact O-CE2 3.27Å; A264-Y478 WeakPolarHBondContact O-CE2 3.3Å
265	F	98.9	Very high	98.9	Very high	6 Å²	6	25.3 Å²	25.3	3%	0.026	14%	0.139	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-145.8	154.7	174.7	64.9	-76.9	0	0	0	111.6	R180 V183 M184 I250 F252 V267 F458 Y478	R180-F265 HydrophobicContact CB-CD1 4.37Å; R180-F265 HydrophobicContact CB-CE1 3.64Å; R180-F265 HydrophobicContact CB-CZ 4.17Å; V183-F265 HydrophobicContact CG1-CZ 4.33Å; M184-F265 HydrophobicContact CE-CD2 4.42Å; M184-F265 HydrophobicContact CE-CE2 4.16Å; M184-F265 HydrophobicContact CE-CZ 4.26Å; M184-F265 HydrophobicContact CG-CD2 4.42Å; M184-F265 HydrophobicContact CG-CE2 3.58Å; M184-F265 HydrophobicContact CG-CZ 4Å; M184-F265 HydrophobicContact SD-CD2 4.43Å; M184-F265 HydrophobicContact SD-CE2 4.13Å; I250-F265 HydrophobicContact CB-CD1 4.31Å; I250-F265 HydrophobicContact CB-CE1 3.82Å; I250-F265 HydrophobicContact CB-CE2 4.29Å; I250-F265 HydrophobicContact CB-CZ 3.82Å; I250-F265 HydrophobicContact CG1-CE2 4.5Å; I250-F265 HydrophobicContact CG1-CZ 4.27Å; I250-F265 HydrophobicContact CG2-CD1 4.44Å; I250-F265 HydrophobicContact CG2-CE1 3.63Å; I250-F265 HydrophobicContact CG2-CZ 3.81Å; I250-F265 PolarHBondContact N-O 3.46Å; I250-F265 PolarHBondContact O-N 2.93Å; F252-F265 HydrophobicContact CE1-CE1 4.4Å; F265-V267 HydrophobicContact CD2-CG2 3.86Å; F265-V267 HydrophobicContact CE2-CG2 3.42Å; F265-V267 VanDerWaalsContact CE2-CG2 3.42Å; F265-V267 HydrophobicContact CZ-CG2 4.35Å; F265-F458 HydrophobicContact CB-CD1 4.22Å; F265-F458 HydrophobicContact CB-CE1 3.93Å; F265-Y478 HydrophobicContact CB-CD1 4.17Å; F265-Y478 HydrophobicContact CB-CE1 3.68Å; F265-Y478 HydrophobicContact CB-CE2 4.3Å; F265-Y478 HydrophobicContact CD1-CE1 4.01Å; F265-Y478 AromaticContact CG-CE1 3.99Å; F265-Y478 HydrophobicContact CG-CE1 3.99Å
266	T	98.9	Very high	98.9	Very high	10 Å²	10	25.2 Å²	25.2	6%	0.061	14%	0.138	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96	132.4	176.9	-58.2	0	0	0	0	111.5	I247 C248 K249 T268 L277 A456 Q457	I247-T266 HydrophobicContact CD1-CG2 3.85Å; I247-T266 HydrophobicContact CG1-CG2 3.38Å; C248-T266 CarbonylContact O-C 3.58Å; C248-T266 WeakPolarHBondContact O-CA 3.39Å; K249-T266 HydrophobicContact CD-CG2 4.48Å; T266-T268 HydrophobicContact CG2-CG2 4.34Å; T266-L277 HydrophobicContact CG2-CD1 3.91Å; T266-L277 HydrophobicContact CG2-CD2 4.14Å; T266-L277 HydrophobicContact CG2-CG 3.95Å; T266-A456 HydrophobicContact CG2-CB 4.16Å; T266-Q457 PolarHBondContact N-O 3.39Å; T266-Q457 PolarHBondContact OG1-N 3.09Å; T266-Q457 PolarHBondContact OG1-O 3.02Å
267	V	98.9	Very high	98.9	Very high	12 Å²	12	25.5 Å²	25.5	7%	0.073	14%	0.14	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.5	130.8	175.1	178	0	0	0	0	109.7	I187 C248 I250 F265 F269	I187-V267 HydrophobicContact CD1-CG1 4.3Å; I187-V267 HydrophobicContact CD1-CG2 4.38Å; I187-V267 HydrophobicContact CG2-CG1 3.95Å; I187-V267 HydrophobicContact CG2-CG2 4.42Å; C248-V267 HydrophobicContact CB-CB 4.4Å; C248-V267 PolarHBondContact N-O 3.15Å; C248-V267 PolarHBondContact O-N 3.37Å; I250-V267 HydrophobicContact CG1-CG2 3.84Å; F265-V267 HydrophobicContact CD2-CG2 3.86Å; F265-V267 HydrophobicContact CE2-CG2 3.42Å; F265-V267 VanDerWaalsContact CE2-CG2 3.42Å; F265-V267 HydrophobicContact CZ-CG2 4.35Å; V267-F269 HydrophobicContact CG1-CE1 4.29Å; V267-F269 HydrophobicContact CG1-CE2 4.09Å; V267-F269 HydrophobicContact CG1-CZ 3.74Å
268	T	98.9	Very high	98.9	Very high	29 Å²	29	29.6 Å²	29.6	18%	0.178	15%	0.153	C	C	.	.			trans	-139.7	157.2	172.8	53.5	0	0	0	0	109.8	I247 T266 Y273 L277	I247-T268 HydrophobicContact CB-CG2 3.97Å; I247-T268 HydrophobicContact CD1-CG2 4.15Å; I247-T268 HydrophobicContact CG1-CG2 3.71Å; T266-T268 HydrophobicContact CG2-CG2 4.34Å; T268-Y273 HydrophobicContact CG2-CD2 3.8Å; T268-Y273 HydrophobicContact CG2-CG 4.07Å; T268-L277 HydrophobicContact CG2-CD1 3.77Å; T268-L277 HydrophobicContact CG2-CD2 4.16Å
269	F	98.8	Very high	98.9	Very high	46 Å²	46	29.6 Å²	29.6	20%	0.202	15%	0.153	C	C	.	.	S	Bend	trans	-119.5	-22	173.3	-52.1	-79.1	0	0	0	112.5	I187 K188 P189 L242 Y244 V267	I187-F269 WeakPolarHBondContact O-CE1 3.5Å; K188-F269 HydrophobicContact CD-CE1 4.15Å; P189-F269 HydrophobicContact CG-CB 4.33Å; P189-F269 HydrophobicContact CG-CD1 4.28Å; P189-F269 HydrophobicContact CG-CD2 3.44Å; P189-F269 VanDerWaalsContact CG-CD2 3.44Å; P189-F269 HydrophobicContact CG-CE2 3.73Å; P189-F269 HydrophobicContact CG-CG 3.74Å; P189-F269 HydrophobicContact CG-CZ 4.27Å; L242-F269 HydrophobicContact CD2-CE2 3.69Å; L242-F269 HydrophobicContact CD2-CZ 3.95Å; L242-F269 HydrophobicContact CG-CE2 4.08Å; Y244-F269 HydrophobicContact CD2-CB 3.66Å; Y244-F269 HydrophobicContact CE2-CB 3.73Å; Y244-F269 WeakPolarHBondContact CE2-O 3.45Å; Y244-F269 PolarHBondContact OH-O 3.29Å; V267-F269 HydrophobicContact CG1-CE1 4.29Å; V267-F269 HydrophobicContact CG1-CE2 4.09Å; V267-F269 HydrophobicContact CG1-CZ 3.74Å
270	N	98.8	Very high	98.9	Very high	31 Å²	31	27.3 Å²	27.3	17%	0.166	14%	0.144	C	C	.	.	S	Bend	trans	-91.7	122	172.3	-166.4	-32.2	0	0	0	110.2	Y244 D245 K272 Y273	Y244-N270 HydrophobicContact CD1-CB 4.3Å; Y244-N270 HydrophobicContact CE1-CB 3.71Å; D245-N270 PolarHBondContact OD1-ND2 3.07Å; N270-K272 HydrophobicContact CB-CD 4.46Å; N270-K272 HydrophobicContact CB-CG 4.16Å; N270-K272 WeakPolarHBondContact ND2-CD 3.21Å; N270-K272 PolarHBondContact O-N 3Å; N270-K272 WeakPolarHBondContact OD1-CB 3.06Å; N270-K272 WeakPolarHBondContact OD1-CG 3.37Å; N270-K272 PolarHBondContact OD1-N 2.93Å; N270-K272 VanDerWaalsContact OD1-N 3.09Å; N270-Y273 HydrophobicContact CB-CD2 4.38Å; N270-Y273 HydrophobicContact CB-CE2 4.31Å; N270-Y273 PolarHBondContact O-N 3.01Å
271	P	98.8	Very high	98.9	Very high	80 Å²	80	30.7 Å²	30.7	52%	0.519	16%	0.159	S	C	.	.	G	3₁₀ helix	trans	-65.6	-9	-179	27.9	-36.7	0	0	0	113.9	Y273 D274	P271-Y273 PolarHBondContact O-N 2.88Å; P271-D274 WeakPolarHBondContact O-CB 3.03Å; P271-D274 PolarHBondContact O-N 3.41Å
272	K	98.7	Very high	98.9	Very high	46 Å²	46	33.6 Å²	33.6	20%	0.2	17%	0.174	C	C	.	.	G	3₁₀ helix	trans	-56.9	-19.1	175.3	75	-174.1	-174.9	-176.5	0	113.7	D245 N270 I315 D316	D245-K272 WeakPolarHBondContact OD1-CE 3.49Å; D245-K272 IonicContact OD1-NZ 3.26Å; D245-K272 PolarHBondContact OD1-NZ 3.35Å; N270-K272 HydrophobicContact CB-CD 4.46Å; N270-K272 HydrophobicContact CB-CG 4.16Å; N270-K272 WeakPolarHBondContact ND2-CD 3.21Å; N270-K272 PolarHBondContact O-N 3Å; N270-K272 WeakPolarHBondContact OD1-CB 3.06Å; N270-K272 WeakPolarHBondContact OD1-CG 3.37Å; N270-K272 PolarHBondContact OD1-N 2.93Å; N270-K272 VanDerWaalsContact OD1-N 3.09Å; K272-I315 HydrophobicContact CD-CG2 3.97Å; K272-I315 HydrophobicContact CG-CG2 4.2Å; K272-D316 IonicContact NZ-OD1 2.98Å; K272-D316 PolarHBondContact NZ-OD1 3.4Å; K272-D316 IonicContact NZ-OD2 3.85Å; K272-D316 PolarHBondContact NZ-OD2 2.93Å
273	Y	98.9	Very high	98.9	Very high	1 Å²	1	33.2 Å²	33.2	0%	0.004	17%	0.172	C	C	.	.	G	3₁₀ helix	trans	-94.6	-5.7	179	-58.7	-63.1	0	0	0	114.4	D245 I247 T268 N270 P271 T275 L276 L277 I315 Y454	D245-Y273 WeakPolarHBondContact O-CE2 3.5Å; D245-Y273 PolarHBondContact O-OH 2.84Å; I247-Y273 HydrophobicContact CD1-CD1 4.35Å; I247-Y273 HydrophobicContact CD1-CG 4.38Å; T268-Y273 HydrophobicContact CG2-CD2 3.8Å; T268-Y273 HydrophobicContact CG2-CG 4.07Å; N270-Y273 HydrophobicContact CB-CD2 4.38Å; N270-Y273 HydrophobicContact CB-CE2 4.31Å; N270-Y273 PolarHBondContact O-N 3.01Å; P271-Y273 PolarHBondContact O-N 2.88Å; Y273-T275 VanDerWaalsContact C-N 3.29Å; Y273-T275 PolarHBondContact O-N 3.48Å; Y273-L276 WeakPolarHBondContact O-CA 3.3Å; Y273-L276 WeakPolarHBondContact O-CB 3.32Å; Y273-L276 PolarHBondContact O-N 3.47Å; Y273-L277 VanDerWaalsContact O-CD1 3.27Å; Y273-L277 WeakPolarHBondContact O-CD1 3.4Å; Y273-L277 PolarHBondContact O-N 3.32Å; Y273-I315 HydrophobicContact CD1-CD1 3.78Å; Y273-I315 HydrophobicContact CE1-CD1 3.99Å; Y273-I315 HydrophobicContact CE1-CG2 4.03Å; Y273-Y454 AromaticContact CE1-CD1 3.62Å; Y273-Y454 HydrophobicContact CE1-CD1 3.62Å; Y273-Y454 AromaticContact CE1-CD2 3.96Å; Y273-Y454 HydrophobicContact CE1-CD2 3.96Å; Y273-Y454 AromaticContact CE1-CE1 3.92Å; Y273-Y454 HydrophobicContact CE1-CE1 3.92Å; Y273-Y454 HydrophobicContact CE1-CE2 4.21Å; Y273-Y454 AromaticContact CE1-CG 3.64Å; Y273-Y454 HydrophobicContact CE1-CG 3.64Å; Y273-Y454 AromaticContact CZ-CD1 3.92Å; Y273-Y454 AromaticContact CZ-CE1 3.88Å; Y273-Y454 WeakPolarHBondContact OH-CD1 3.45Å; Y273-Y454 WeakPolarHBondContact OH-CE1 3.45Å
274	D	98.9	Very high	98.9	Very high	89 Å²	89	33.3 Å²	33.3	48%	0.476	17%	0.173	S	C	.	.	H	α-helix	trans	-55.2	-42.5	-170.4	-72.4	-7	0	0	0	112.8	P271 L277 K278	P271-D274 WeakPolarHBondContact O-CB 3.03Å; P271-D274 PolarHBondContact O-N 3.41Å; D274-L277 PolarHBondContact O-N 3.14Å; D274-K278 WeakPolarHBondContact O-CB 3.43Å; D274-K278 PolarHBondContact O-N 2.75Å
275	T	98.9	Very high	98.9	Very high	67 Å²	67	35.5 Å²	35.5	41%	0.411	19%	0.185	S	C	.	.	H	α-helix	trans	-69.4	-33.8	178.8	-48.7	0	0	0	0	112.2	Y273 K278 A279 Y311 V313	Y273-T275 VanDerWaalsContact C-N 3.29Å; Y273-T275 PolarHBondContact O-N 3.48Å; T275-K278 PolarHBondContact O-N 3.06Å; T275-A279 WeakPolarHBondContact O-CB 3.49Å; T275-A279 PolarHBondContact O-N 2.93Å; T275-Y311 HydrophobicContact CG2-CD1 4.22Å; T275-V313 HydrophobicContact CG2-CG1 3.75Å
276	L	98.9	Very high	98.9	Very high	1 Å²	1	36.5 Å²	36.5	1%	0.005	19%	0.191	C	C	.	.	H	α-helix	trans	-66.2	-45.4	174.2	176.1	62.1	0	0	0	110.5	I247 Y273 K278 A279 V280 V313 I315 V322 T369 A456	I247-L276 HydrophobicContact CD1-CD2 3.93Å; Y273-L276 WeakPolarHBondContact O-CA 3.3Å; Y273-L276 WeakPolarHBondContact O-CB 3.32Å; Y273-L276 PolarHBondContact O-N 3.47Å; L276-K278 VanDerWaalsContact C-N 3.32Å; L276-K278 PolarHBondContact O-N 3.46Å; L276-A279 PolarHBondContact O-N 2.96Å; L276-V280 WeakPolarHBondContact O-CG2 3.24Å; L276-V280 PolarHBondContact O-N 3.5Å; L276-V313 HydrophobicContact CB-CG1 4.24Å; L276-I315 HydrophobicContact CD2-CD1 4.49Å; L276-V322 HydrophobicContact CD1-CB 4.47Å; L276-V322 HydrophobicContact CD1-CG1 3.71Å; L276-V322 HydrophobicContact CD1-CG2 3.92Å; L276-T369 HydrophobicContact CD2-CG2 4.47Å; L276-A456 HydrophobicContact CD2-CB 4.42Å; L276-A456 HydrophobicContact CG-CB 4.06Å
277	L	98.9	Very high	98.9	Very high	21 Å²	21	36 Å²	36	11%	0.11	19%	0.188	C	C	.	.	H	α-helix	trans	-61.9	-41.9	175.5	-87.1	68.6	0	0	0	111.1	I247 T266 T268 Y273 D274 V280 K281 A456 F458	I247-L277 HydrophobicContact CD1-CD1 3.76Å; I247-L277 HydrophobicContact CG1-CD1 4.48Å; T266-L277 HydrophobicContact CG2-CD1 3.91Å; T266-L277 HydrophobicContact CG2-CD2 4.14Å; T266-L277 HydrophobicContact CG2-CG 3.95Å; T268-L277 HydrophobicContact CG2-CD1 3.77Å; T268-L277 HydrophobicContact CG2-CD2 4.16Å; Y273-L277 VanDerWaalsContact O-CD1 3.27Å; Y273-L277 WeakPolarHBondContact O-CD1 3.4Å; Y273-L277 PolarHBondContact O-N 3.32Å; D274-L277 PolarHBondContact O-N 3.14Å; L277-V280 PolarHBondContact O-N 3.39Å; L277-K281 VanDerWaalsContact O-CB 3.3Å; L277-K281 WeakPolarHBondContact O-CB 3.37Å; L277-K281 PolarHBondContact O-N 3.2Å; L277-A456 HydrophobicContact CD1-CB 4.34Å; L277-F458 HydrophobicContact CB-CE2 4.17Å; L277-F458 HydrophobicContact CG-CE2 4.3Å; L277-F458 WeakPolarHBondContact O-CE2 3.46Å
278	K	98.9	Very high	98.9	Very high	126 Å²	126	35.8 Å²	35.8	55%	0.548	19%	0.186	S	C	.	.	H	α-helix	trans	-61	-46.3	176.7	-174.1	-173.8	172.3	-148.7	0	111.5	D274 T275 L276 V280 K281 D282 Y311	D274-K278 WeakPolarHBondContact O-CB 3.43Å; D274-K278 PolarHBondContact O-N 2.75Å; T275-K278 PolarHBondContact O-N 3.06Å; L276-K278 VanDerWaalsContact C-N 3.32Å; L276-K278 PolarHBondContact O-N 3.46Å; K278-V280 VanDerWaalsContact C-N 3.34Å; K278-V280 PolarHBondContact O-N 2.9Å; K278-K281 PolarHBondContact O-N 3.29Å; K278-D282 WeakPolarHBondContact O-CB 3.31Å; K278-D282 PolarHBondContact O-N 3.12Å; K278-Y311 HydrophobicContact CD-CE1 3.95Å; K278-Y311 HydrophobicContact CG-CE1 4.07Å
279	A	98.9	Very high	98.9	Very high	0 Å²	0	42 Å²	42	0%	0	21%	0.211	C	C	.	.	H	α-helix	trans	-56.8	-47.9	179.2	0	0	0	0	0	111.8	T275 L276 D282 A283 Y311 V322	T275-A279 WeakPolarHBondContact O-CB 3.49Å; T275-A279 PolarHBondContact O-N 2.93Å; L276-A279 PolarHBondContact O-N 2.96Å; A279-D282 PolarHBondContact O-N 3.38Å; A279-A283 WeakPolarHBondContact O-CB 3.29Å; A279-A283 PolarHBondContact O-N 3.38Å; A279-Y311 VanDerWaalsContact CB-CB 3.5Å; A279-Y311 HydrophobicContact CB-CD1 3.81Å; A279-Y311 HydrophobicContact CB-CD2 3.74Å; A279-Y311 HydrophobicContact CB-CE1 4.46Å; A279-Y311 HydrophobicContact CB-CE2 4.42Å; A279-Y311 HydrophobicContact CB-CG 3.41Å; A279-Y311 VanDerWaalsContact CB-CG 3.41Å; A279-V322 HydrophobicContact CB-CB 4.37Å; A279-V322 HydrophobicContact CB-CG1 4.31Å; A279-V322 HydrophobicContact CB-CG2 3.98Å
280	V	98.9	Very high	98.9	Very high	0 Å²	0	41.7 Å²	41.7	0%	0	21%	0.214	C	C	.	.	H	α-helix	trans	-71	-40.2	-179.1	-178.9	0	0	0	0	111.6	L276 L277 K278 D282 A283 T284 T365 G367 A456 F458	L276-V280 WeakPolarHBondContact O-CG2 3.24Å; L276-V280 PolarHBondContact O-N 3.5Å; L277-V280 PolarHBondContact O-N 3.39Å; K278-V280 VanDerWaalsContact C-N 3.34Å; K278-V280 PolarHBondContact O-N 2.9Å; V280-D282 VanDerWaalsContact C-N 3.32Å; V280-D282 PolarHBondContact O-N 2.98Å; V280-A283 PolarHBondContact O-N 2.97Å; V280-T284 PolarHBondContact O-N 2.99Å; V280-T284 PolarHBondContact O-OG1 2.89Å; V280-T365 WeakPolarHBondContact CG1-O 3.3Å; V280-T365 WeakPolarHBondContact CG1-OG1 3.36Å; V280-T365 PolarHBondContact O-OG1 3.04Å; V280-G367 VanDerWaalsContact CG2-CA 3.47Å; V280-G367 VanDerWaalsContact CG2-N 3.34Å; V280-A456 HydrophobicContact CB-CB 4.32Å; V280-A456 HydrophobicContact CG2-CB 3.94Å; V280-F458 HydrophobicContact CB-CD2 4.29Å; V280-F458 HydrophobicContact CG1-CD2 4.17Å
281	K	98.9	Very high	98.9	Very high	71 Å²	71	40.2 Å²	40.2	31%	0.309	21%	0.206	S	C	.	.	H	α-helix	trans	-60.3	-42	174.7	-174.3	177.9	-67.2	-165.8	0	111.8	L277 K278 N285 F458	L277-K281 VanDerWaalsContact O-CB 3.3Å; L277-K281 WeakPolarHBondContact O-CB 3.37Å; L277-K281 PolarHBondContact O-N 3.2Å; K278-K281 PolarHBondContact O-N 3.29Å; K281-N285 WeakPolarHBondContact O-CB 3.43Å; K281-N285 PolarHBondContact O-N 3.41Å; K281-N285 PolarHBondContact O-ND2 3.31Å; K281-N285 VanDerWaalsContact O-ND2 3.14Å; K281-F458 HydrophobicContact CB-CD1 4.47Å; K281-F458 HydrophobicContact CB-CD2 3.7Å; K281-F458 HydrophobicContact CB-CE2 3.86Å; K281-F458 HydrophobicContact CB-CG 4.03Å; K281-F458 HydrophobicContact CB-CZ 4.32Å; K281-F458 HydrophobicContact CG-CD1 4.4Å; K281-F458 HydrophobicContact CG-CD2 4.48Å; K281-F458 HydrophobicContact CG-CG 4.36Å
282	D	98.9	Very high	98.9	Very high	61 Å²	61	36.4 Å²	36.4	33%	0.326	18%	0.182	S	C	.	.	H	α-helix	trans	-68.9	-41.4	178.8	-163.8	20.6	0	0	0	111.8	K278 A279 V280 N285 T286 V307 Y311	K278-D282 WeakPolarHBondContact O-CB 3.31Å; K278-D282 PolarHBondContact O-N 3.12Å; A279-D282 PolarHBondContact O-N 3.38Å; V280-D282 VanDerWaalsContact C-N 3.32Å; V280-D282 PolarHBondContact O-N 2.98Å; D282-N285 PolarHBondContact O-N 3.18Å; D282-T286 WeakPolarHBondContact O-CB 3.27Å; D282-T286 PolarHBondContact O-N 3.06Å; D282-T286 PolarHBondContact O-OG1 2.68Å; D282-V307 HydrophobicContact CB-CG1 4.1Å; D282-Y311 HydrophobicContact CB-CE2 4.17Å; D282-Y311 WeakPolarHBondContact OD2-CE2 3.34Å; D282-Y311 PolarHBondContact OD2-OH 3.07Å
283	A	98.9	Very high	98.9	Very high	0 Å²	0	35.2 Å²	35.2	0%	0	18%	0.177	C	C	.	.	H	α-helix	trans	-61.7	-46	174.4	0	0	0	0	0	112	A279 V280 N285 T286 G287 I304 M308	A279-A283 WeakPolarHBondContact O-CB 3.29Å; A279-A283 PolarHBondContact O-N 3.38Å; V280-A283 PolarHBondContact O-N 2.97Å; A283-N285 PolarHBondContact O-N 3.47Å; A283-T286 WeakPolarHBondContact O-CB 3.31Å; A283-T286 PolarHBondContact O-N 2.92Å; A283-G287 PolarHBondContact O-N 3.22Å; A283-I304 HydrophobicContact CB-CG2 4.27Å; A283-M308 HydrophobicContact CB-CB 3.79Å; A283-M308 HydrophobicContact CB-CE 3.57Å; A283-M308 HydrophobicContact CB-CG 4.1Å
284	T	98.9	Very high	98.9	Very high	2 Å²	2	40 Å²	40	1%	0.012	20%	0.203	C	C	.	.	H	α-helix	trans	-59.2	-46.5	173.4	-64.5	0	0	0	0	111.5	V280 T286 G287 I288 I363 T365 F458	V280-T284 PolarHBondContact O-N 2.99Å; V280-T284 PolarHBondContact O-OG1 2.89Å; T284-T286 VanDerWaalsContact C-N 3.28Å; T284-T286 PolarHBondContact O-N 3.08Å; T284-G287 PolarHBondContact O-N 3.14Å; T284-I288 HydrophobicContact CG2-CD1 3.95Å; T284-I288 WeakPolarHBondContact O-CG1 3.27Å; T284-I288 PolarHBondContact O-N 3.01Å; T284-I363 WeakPolarHBondContact CG2-O 3.29Å; T284-T365 PolarHBondContact N-OG1 3.22Å; T284-T365 WeakPolarHBondContact OG1-CB 3.39Å; T284-T365 PolarHBondContact OG1-N 3.48Å; T284-T365 PolarHBondContact OG1-OG1 2.96Å; T284-F458 HydrophobicContact CG2-CB 4.29Å; T284-F458 WeakPolarHBondContact CG2-O 3.18Å; T284-F458 PolarHBondContact OG1-O 3.41Å
285	N	98.9	Very high	98.8	Very high	47 Å²	47	37.2 Å²	37.2	25%	0.251	19%	0.189	S	C	.	.	H	α-helix	trans	-65.2	-32	177.9	-79.5	-39.2	0	0	0	113.2	K281 D282 A283 I288 K289 R474	K281-N285 WeakPolarHBondContact O-CB 3.43Å; K281-N285 PolarHBondContact O-N 3.41Å; K281-N285 PolarHBondContact O-ND2 3.31Å; K281-N285 VanDerWaalsContact O-ND2 3.14Å; D282-N285 PolarHBondContact O-N 3.18Å; A283-N285 PolarHBondContact O-N 3.47Å; N285-I288 PolarHBondContact O-N 3.32Å; N285-K289 WeakPolarHBondContact O-CB 3.43Å; N285-K289 PolarHBondContact O-N 3.18Å; N285-R474 VanDerWaalsContact OD1-CZ 3.31Å; N285-R474 PolarHBondContact OD1-NH1 3.4Å; N285-R474 PolarHBondContact OD1-NH2 3.37Å
286	T	98.9	Very high	98.8	Very high	27 Å²	27	37.7 Å²	37.7	17%	0.166	18%	0.183	C	C	.	.	H	α-helix	trans	-65	-47.5	171.9	-62.8	0	0	0	0	110.6	D282 A283 T284 I288 K289 C290 A303 V307	D282-T286 WeakPolarHBondContact O-CB 3.27Å; D282-T286 PolarHBondContact O-N 3.06Å; D282-T286 PolarHBondContact O-OG1 2.68Å; A283-T286 WeakPolarHBondContact O-CB 3.31Å; A283-T286 PolarHBondContact O-N 2.92Å; T284-T286 VanDerWaalsContact C-N 3.28Å; T284-T286 PolarHBondContact O-N 3.08Å; T286-I288 VanDerWaalsContact C-N 3.33Å; T286-I288 PolarHBondContact O-N 3.41Å; T286-K289 PolarHBondContact O-N 2.87Å; T286-K289 VanDerWaalsContact O-N 3.15Å; T286-C290 WeakPolarHBondContact O-CB 3.3Å; T286-C290 PolarHBondContact O-N 3.15Å; T286-C290 PolarHBondContact O-SG 3.16Å; T286-C290 VanDerWaalsContact O-SG 3.39Å; T286-A303 HydrophobicContact CG2-CB 4.1Å; T286-V307 HydrophobicContact CG2-CB 4.41Å; T286-V307 HydrophobicContact CG2-CG2 3.75Å
287	G	98.9	Very high	98.8	Very high	0 Å²	0	37.7 Å²	37.7	0%	0	18%	0.183	C	C	.	.	H	α-helix	trans	-55.1	-47.8	173.1	0	0	0	0	0	112.3	A283 T284 K289 C290 A291	A283-G287 PolarHBondContact O-N 3.22Å; T284-G287 PolarHBondContact O-N 3.14Å; G287-K289 VanDerWaalsContact C-N 3.34Å; G287-K289 PolarHBondContact O-N 2.89Å; G287-C290 PolarHBondContact O-N 3.47Å; G287-A291 WeakPolarHBondContact O-CB 3.34Å; G287-A291 PolarHBondContact O-N 3.22Å
288	I	98.9	Very high	98.8	Very high	6 Å²	6	37.5 Å²	37.5	3%	0.031	18%	0.183	C	C	.	.	H	α-helix	trans	-60.3	-43.8	177	-68.9	165.7	0	0	0	110.8	T284 N285 T286 I363 H460 I462 K469 V471	T284-I288 HydrophobicContact CG2-CD1 3.95Å; T284-I288 WeakPolarHBondContact O-CG1 3.27Å; T284-I288 PolarHBondContact O-N 3.01Å; N285-I288 PolarHBondContact O-N 3.32Å; T286-I288 VanDerWaalsContact C-N 3.33Å; T286-I288 PolarHBondContact O-N 3.41Å; I288-I363 HydrophobicContact CG1-CB 3.86Å; I288-I363 HydrophobicContact CG1-CG1 4.29Å; I288-I363 HydrophobicContact CG1-CG2 3.82Å; I288-H460 HydrophobicContact CD1-CB 3.81Å; I288-I462 HydrophobicContact CG1-CG2 4.37Å; I288-I462 HydrophobicContact CG2-CG2 4.25Å; I288-K469 WeakPolarHBondContact O-CE 3.43Å; I288-K469 PolarHBondContact O-NZ 2.96Å; I288-V471 HydrophobicContact CD1-CG1 4.44Å; I288-V471 HydrophobicContact CG2-CG1 4.41Å; I288-V471 HydrophobicContact CG2-CG2 3.55Å
289	K	98.8	Very high	98.8	Very high	161 Å²	161	33.8 Å²	33.8	70%	0.7	17%	0.169	S	C	*	.	H	α-helix	trans	-65	-43.4	179.3	-175.7	-179	175.8	-173.8	0	111.5	N285 T286 G287 K469	N285-K289 WeakPolarHBondContact O-CB 3.43Å; N285-K289 PolarHBondContact O-N 3.18Å; T286-K289 PolarHBondContact O-N 2.87Å; T286-K289 VanDerWaalsContact O-N 3.15Å; G287-K289 VanDerWaalsContact C-N 3.34Å; G287-K289 PolarHBondContact O-N 2.89Å; K289-K469 PolarHBondContact O-NZ 3.38Å
290	C	98.7	Very high	98.8	Very high	39 Å²	39	33.8 Å²	33.8	26%	0.264	17%	0.169	S	C	.	.	H	α-helix	trans	-71.7	-30.6	179.8	-70.6	0	0	0	0	113.4	T286 G287 V295	T286-C290 WeakPolarHBondContact O-CB 3.3Å; T286-C290 PolarHBondContact O-N 3.15Å; T286-C290 PolarHBondContact O-SG 3.16Å; T286-C290 VanDerWaalsContact O-SG 3.39Å; G287-C290 PolarHBondContact O-N 3.47Å; C290-V295 WeakPolarHBondContact O-CG1 3.48Å
291	A	98.8	Very high	98.8	Very high	0 Å²	0	33.8 Å²	33.8	0%	0	17%	0.169	C	C	.	.			trans	-59.2	145.4	179.2	0	0	0	0	0	112.4	G287 M355 I363 I462 K469	G287-A291 WeakPolarHBondContact O-CB 3.34Å; G287-A291 PolarHBondContact O-N 3.22Å; A291-M355 HydrophobicContact CB-CE 3.95Å; A291-M355 HydrophobicContact CB-SD 3.78Å; A291-I363 HydrophobicContact CB-CD1 4.38Å; A291-I462 HydrophobicContact CB-CD1 3.58Å; A291-K469 WeakPolarHBondContact O-CD 3.46Å; A291-K469 PolarHBondContact O-NZ 3.04Å
292	G	98.7	Very high	98.8	Very high	0 Å²	0	35.6 Å²	35.6	0%	0	18%	0.179	C	C	.	.			trans	172.1	163.4	178.4	0	0	0	0	0	112.5	D294 V295 M355	G292-D294 PolarHBondContact O-N 3.37Å; G292-V295 WeakPolarHBondContact O-CB 3.36Å; G292-V295 VanDerWaalsContact O-CG2 3.32Å; G292-V295 WeakPolarHBondContact O-CG2 3.45Å; G292-V295 PolarHBondContact O-N 2.87Å; G292-M355 VanDerWaalsContact O-CB 3.3Å; G292-M355 WeakPolarHBondContact O-CB 3.41Å
293	I	98.8	Very high	98.8	Very high	21 Å²	21	33.5 Å²	33.5	11%	0.108	17%	0.17	C	C	.	.	T	Hydrogen-bonded Turn	trans	-55.7	136.5	174.8	-60	167.1	0	0	0	109.3	Y137 V295 E357 L464	Y137-I293 HydrophobicContact CE1-CB 4.47Å; Y137-I293 HydrophobicContact CE1-CD1 4.15Å; Y137-I293 HydrophobicContact CE1-CG1 3.86Å; Y137-I293 HydrophobicContact CE2-CD1 3.74Å; Y137-I293 HydrophobicContact CE2-CG1 4.35Å; Y137-I293 VanDerWaalsContact CZ-CD1 3.46Å; Y137-I293 VanDerWaalsContact OH-CD1 3.28Å; Y137-I293 WeakPolarHBondContact OH-CD1 3.16Å; I293-V295 PolarHBondContact O-N 3.48Å; I293-E357 HydrophobicContact CD1-CB 3.67Å; I293-E357 HydrophobicContact CD1-CG 3.74Å; I293-E357 HydrophobicContact CG1-CB 4.15Å; I293-E357 HydrophobicContact CG2-CB 4.28Å; I293-L464 HydrophobicContact CG1-CB 4.2Å
294	D	98.4	Very high	98.8	Very high	102 Å²	102	33.5 Å²	33.5	55%	0.545	17%	0.17	S	C	.	.	T	Hydrogen-bonded Turn	trans	68.4	0.7	-176.5	-57.2	-50	0	0	0	116.3	G292 R354 M355	G292-D294 PolarHBondContact O-N 3.37Å; D294-R354 WeakPolarHBondContact O-CD 3.45Å; D294-R354 WeakPolarHBondContact O-CG 3.5Å; D294-R354 PolarHBondContact O-NE 2.82Å; D294-M355 PolarHBondContact N-O 3.01Å
295	V	98.6	Very high	98.8	Very high	29 Å²	29	34.4 Å²	34.4	18%	0.176	17%	0.174	C	C	.	.			trans	-73.9	136	174.1	179.1	0	0	0	0	109.7	P138 C290 G292 I293 V300 R354 M355	P138-V295 HydrophobicContact CG-CG2 4.04Å; C290-V295 WeakPolarHBondContact O-CG1 3.48Å; G292-V295 WeakPolarHBondContact O-CB 3.36Å; G292-V295 VanDerWaalsContact O-CG2 3.32Å; G292-V295 WeakPolarHBondContact O-CG2 3.45Å; G292-V295 PolarHBondContact O-N 2.87Å; I293-V295 PolarHBondContact O-N 3.48Å; V295-V300 HydrophobicContact CG1-CG2 3.71Å; V295-R354 VanDerWaalsContact O-CA 3.3Å; V295-R354 WeakPolarHBondContact O-CA 3.31Å; V295-M355 PolarHBondContact O-N 3.09Å
296	R	98.7	Very high	98.8	Very high	77 Å²	77	39 Å²	39	29%	0.291	20%	0.195	S	C	.	.	B	Isolated β-bridge	trans	-77.3	136.9	176.1	-59.6	-178.2	-65.9	170.9	4.7	110.4	C298 D299 V300 T353 R354	R296-C298 VanDerWaalsContact C-N 3.31Å; R296-C298 PolarHBondContact O-N 3.32Å; R296-D299 HydrophobicContact CB-CB 4.45Å; R296-D299 IonicContact CZ-OD1 3.43Å; R296-D299 VanDerWaalsContact CZ-OD1 3.27Å; R296-D299 IonicContact CZ-OD2 3.39Å; R296-D299 VanDerWaalsContact CZ-OD2 3.22Å; R296-D299 IonicContact NE-OD1 2.76Å; R296-D299 PolarHBondContact NE-OD1 3.46Å; R296-D299 IonicContact NE-OD2 3.81Å; R296-D299 PolarHBondContact NE-OD2 3.28Å; R296-D299 IonicContact NH2-OD1 3.56Å; R296-D299 PolarHBondContact NH2-OD1 2.88Å; R296-D299 IonicContact NH2-OD2 3.51Å; R296-D299 PolarHBondContact NH2-OD2 2.83Å; R296-D299 PolarHBondContact O-N 3.18Å; R296-D299 VanDerWaalsContact O-N 3.1Å; R296-V300 PolarHBondContact O-N 3.24Å; R296-T353 CarbonylContact C-O 3.48Å; R296-T353 WeakPolarHBondContact CA-O 3.36Å; R296-R354 HydrophobicContact CG-CG 4.01Å
297	L	98.7	Very high	98.8	Very high	2 Å²	2	39.1 Å²	39.1	1%	0.01	20%	0.195	C	C	.	.	H	α-helix	trans	-59.4	-40.7	179.6	-65.4	174.4	0	0	0	111.8	D299 V300 G301 K342 T343 V344 P345 T353 M355 Y361	L297-D299 VanDerWaalsContact C-N 3.27Å; L297-D299 PolarHBondContact O-N 2.89Å; L297-V300 WeakPolarHBondContact O-CB 3.32Å; L297-V300 PolarHBondContact O-N 3.34Å; L297-G301 PolarHBondContact O-N 2.94Å; L297-G301 VanDerWaalsContact O-N 3.14Å; L297-K342 HydrophobicContact CD1-CB 4.17Å; L297-T343 WeakPolarHBondContact CD1-O 3.42Å; L297-V344 HydrophobicContact CD2-CG2 4.01Å; L297-P345 WeakPolarHBondContact O-CD 3.48Å; L297-P345 WeakPolarHBondContact O-CG 3.5Å; L297-T353 HydrophobicContact CD1-CG2 4.1Å; L297-T353 WeakPolarHBondContact CG-O 3.31Å; L297-T353 PolarHBondContact N-O 2.65Å; L297-M355 HydrophobicContact CD2-CE 3.68Å; L297-M355 HydrophobicContact CD2-CG 3.73Å; L297-Y361 HydrophobicContact CD2-CE1 4.16Å
298	C	98.4	Very high	98.8	Very high	17 Å²	17	39.1 Å²	39.1	12%	0.115	20%	0.195	C	C	.	.	H	α-helix	trans	-57.4	-35.9	175.2	63.4	0	0	0	0	114.2	R296 V300 G301 E302 G350 E351	R296-C298 VanDerWaalsContact C-N 3.31Å; R296-C298 PolarHBondContact O-N 3.32Å; C298-V300 VanDerWaalsContact C-N 3.35Å; C298-G301 PolarHBondContact O-N 3.4Å; C298-E302 PolarHBondContact O-N 3.45Å; C298-G350 WeakPolarHBondContact CB-O 3.49Å; C298-E351 WeakPolarHBondContact CB-O 3.43Å; C298-E351 PolarHBondContact N-O 2.92Å
299	D	98.8	Very high	98.8	Very high	47 Å²	47	41.5 Å²	41.5	25%	0.251	21%	0.206	S	C	.	.	H	α-helix	trans	-72.4	-34.2	-178.5	-63	-10.7	0	0	0	110.8	R296 L297 A303	R296-D299 HydrophobicContact CB-CB 4.45Å; R296-D299 IonicContact CZ-OD1 3.43Å; R296-D299 VanDerWaalsContact CZ-OD1 3.27Å; R296-D299 IonicContact CZ-OD2 3.39Å; R296-D299 VanDerWaalsContact CZ-OD2 3.22Å; R296-D299 IonicContact NE-OD1 2.76Å; R296-D299 PolarHBondContact NE-OD1 3.46Å; R296-D299 IonicContact NE-OD2 3.81Å; R296-D299 PolarHBondContact NE-OD2 3.28Å; R296-D299 IonicContact NH2-OD1 3.56Å; R296-D299 PolarHBondContact NH2-OD1 2.88Å; R296-D299 IonicContact NH2-OD2 3.51Å; R296-D299 PolarHBondContact NH2-OD2 2.83Å; R296-D299 PolarHBondContact O-N 3.18Å; R296-D299 VanDerWaalsContact O-N 3.1Å; L297-D299 VanDerWaalsContact C-N 3.27Å; L297-D299 PolarHBondContact O-N 2.89Å; D299-A303 WeakPolarHBondContact O-CB 3.49Å; D299-A303 PolarHBondContact O-N 2.73Å; D299-A303 VanDerWaalsContact O-N 3.12Å
300	V	98.8	Very high	98.8	Very high	0 Å²	0	38 Å²	38	0%	0	20%	0.202	C	C	.	.	H	α-helix	trans	-62.6	-46.8	171.9	-178.2	0	0	0	0	109.9	V295 R296 L297 C298 E302 A303 I304 V344 M355	V295-V300 HydrophobicContact CG1-CG2 3.71Å; R296-V300 PolarHBondContact O-N 3.24Å; L297-V300 WeakPolarHBondContact O-CB 3.32Å; L297-V300 PolarHBondContact O-N 3.34Å; C298-V300 VanDerWaalsContact C-N 3.35Å; V300-E302 PolarHBondContact O-N 3.25Å; V300-A303 PolarHBondContact O-N 3.37Å; V300-I304 HydrophobicContact CG1-CD1 3.76Å; V300-I304 HydrophobicContact CG1-CG1 4.46Å; V300-I304 WeakPolarHBondContact O-CB 3.36Å; V300-I304 VanDerWaalsContact O-CG1 3.25Å; V300-I304 WeakPolarHBondContact O-CG1 3.45Å; V300-I304 PolarHBondContact O-N 3.11Å; V300-V344 HydrophobicContact CB-CG1 4.23Å; V300-V344 HydrophobicContact CG1-CG1 3.69Å; V300-M355 HydrophobicContact CG2-CE 4.28Å
301	G	98.8	Very high	98.8	Very high	0 Å²	0	37.6 Å²	37.6	0%	0	20%	0.195	C	C	.	.	H	α-helix	trans	-65.6	-37.4	179.4	0	0	0	0	0	114.5	L297 C298 Q305 P345 I346 V347	L297-G301 PolarHBondContact O-N 2.94Å; L297-G301 VanDerWaalsContact O-N 3.14Å; C298-G301 PolarHBondContact O-N 3.4Å; G301-Q305 WeakPolarHBondContact O-CB 3.28Å; G301-Q305 PolarHBondContact O-N 2.92Å; G301-P345 WeakPolarHBondContact CA-O 3.37Å; G301-P345 PolarHBondContact N-O 3.27Å; G301-I346 CarbonylContact O-C 3.52Å; G301-V347 CarbonylContact O-C 3.52Å; G301-V347 PolarHBondContact O-N 3.05Å
302	E	98.9	Very high	98.8	Very high	109 Å²	109	44.7 Å²	44.7	51%	0.509	23%	0.228	S	C	.	.	H	α-helix	trans	-64.9	-44.8	174.9	-174.3	167.7	164.7	0	0	111.8	C298 V300 Q305 E306 K348	C298-E302 PolarHBondContact O-N 3.45Å; V300-E302 PolarHBondContact O-N 3.25Å; E302-Q305 PolarHBondContact O-N 3.07Å; E302-E306 PolarHBondContact O-N 3.41Å; E302-K348 HydrophobicContact CB-CB 4.06Å; E302-K348 HydrophobicContact CG-CB 4.06Å
303	A	98.9	Very high	98.8	Very high	18 Å²	18	45 Å²	45	15%	0.149	23%	0.229	C	C	.	.	H	α-helix	trans	-64.7	-40	177.5	0	0	0	0	0	112.6	T286 D299 V300 V307	T286-A303 HydrophobicContact CG2-CB 4.1Å; D299-A303 WeakPolarHBondContact O-CB 3.49Å; D299-A303 PolarHBondContact O-N 2.73Å; D299-A303 VanDerWaalsContact O-N 3.12Å; V300-A303 PolarHBondContact O-N 3.37Å; A303-V307 PolarHBondContact O-N 3.45Å
304	I	98.9	Very high	98.8	Very high	0 Å²	0	50.3 Å²	50.3	0%	0	25%	0.254	C	S	.	.	H	α-helix	trans	-59.4	-48.8	174.2	-74	166.3	0	0	0	110.4	A283 V300 V307 M308 I346 T365	A283-I304 HydrophobicContact CB-CG2 4.27Å; V300-I304 HydrophobicContact CG1-CD1 3.76Å; V300-I304 HydrophobicContact CG1-CG1 4.46Å; V300-I304 WeakPolarHBondContact O-CB 3.36Å; V300-I304 VanDerWaalsContact O-CG1 3.25Å; V300-I304 WeakPolarHBondContact O-CG1 3.45Å; V300-I304 PolarHBondContact O-N 3.11Å; I304-V307 PolarHBondContact O-N 2.87Å; I304-M308 HydrophobicContact CG2-CE 3.84Å; I304-M308 WeakPolarHBondContact O-CB 3.42Å; I304-M308 PolarHBondContact O-N 2.78Å; I304-I346 HydrophobicContact CD1-CG2 4.28Å; I304-I346 HydrophobicContact CG2-CB 3.8Å; I304-I346 HydrophobicContact CG2-CG2 4.27Å; I304-T365 HydrophobicContact CD1-CG2 3.94Å; I304-T365 HydrophobicContact CG1-CG2 4.18Å; I304-T365 HydrophobicContact CG2-CG2 3.57Å
305	Q	98.9	Very high	98.8	Very high	21 Å²	21	45.6 Å²	45.6	10%	0.098	23%	0.229	C	C	.	.	H	α-helix	trans	-63.1	-44.8	-179.3	177.3	172.3	24.7	0	0	112.2	G301 E302 V307 M308 E309 P324 K348	G301-Q305 WeakPolarHBondContact O-CB 3.28Å; G301-Q305 PolarHBondContact O-N 2.92Å; E302-Q305 PolarHBondContact O-N 3.07Å; Q305-V307 VanDerWaalsContact C-N 3.32Å; Q305-V307 PolarHBondContact O-N 3.42Å; Q305-M308 PolarHBondContact O-N 3.45Å; Q305-E309 VanDerWaalsContact CG-CD 3.47Å; Q305-E309 HydrophobicContact CG-CG 4.03Å; Q305-E309 WeakPolarHBondContact CG-OE1 3.2Å; Q305-E309 PolarHBondContact NE2-OE1 3.37Å; Q305-E309 WeakPolarHBondContact O-CB 3.48Å; Q305-E309 WeakPolarHBondContact O-CG 3.42Å; Q305-E309 PolarHBondContact O-N 2.73Å; Q305-P324 HydrophobicContact CB-CG 4.2Å; Q305-P324 HydrophobicContact CG-CG 4.09Å; Q305-K348 VanDerWaalsContact OE1-CE 3.29Å
306	E	98.9	Very high	98.7	Very high	144 Å²	144	49 Å²	49	67%	0.673	25%	0.246	S	C	*	.	H	α-helix	trans	-54.6	-50	178.5	-178.9	-177.1	-174.6	0	0	111.1	E302 S310	E302-E306 PolarHBondContact O-N 3.41Å; E306-S310 PolarHBondContact O-N 3.25Å
307	V	98.9	Very high	98.7	Very high	28 Å²	28	48.2 Å²	48.2	17%	0.17	26%	0.262	C	S	.	.	H	α-helix	trans	-66.8	-46.1	179.4	170.9	0	0	0	0	111	D282 T286 A303 I304 Q305 E309 S310 Y311	D282-V307 HydrophobicContact CB-CG1 4.1Å; T286-V307 HydrophobicContact CG2-CB 4.41Å; T286-V307 HydrophobicContact CG2-CG2 3.75Å; A303-V307 PolarHBondContact O-N 3.45Å; I304-V307 PolarHBondContact O-N 2.87Å; Q305-V307 VanDerWaalsContact C-N 3.32Å; Q305-V307 PolarHBondContact O-N 3.42Å; V307-E309 PolarHBondContact O-N 2.69Å; V307-S310 WeakPolarHBondContact O-CB 3.46Å; V307-S310 PolarHBondContact O-N 3.06Å; V307-S310 PolarHBondContact O-OG 3.28Å; V307-Y311 HydrophobicContact CG1-CE2 4.27Å; V307-Y311 VanDerWaalsContact O-CD2 3.28Å; V307-Y311 WeakPolarHBondContact O-CD2 3.31Å
308	M	98.8	Very high	98.7	Very high	0 Å²	0	54.5 Å²	54.5	0%	0	29%	0.289	C	S	.	.	H	α-helix	trans	-63.7	-44.6	-176.8	-159.7	-180	-50	0	0	112.6	A283 I304 Q305 S310 Y311 V322 P324 T365 G367	A283-M308 HydrophobicContact CB-CB 3.79Å; A283-M308 HydrophobicContact CB-CE 3.57Å; A283-M308 HydrophobicContact CB-CG 4.1Å; I304-M308 HydrophobicContact CG2-CE 3.84Å; I304-M308 WeakPolarHBondContact O-CB 3.42Å; I304-M308 PolarHBondContact O-N 2.78Å; Q305-M308 PolarHBondContact O-N 3.45Å; M308-S310 PolarHBondContact O-N 3.03Å; M308-Y311 PolarHBondContact O-N 3.28Å; M308-V322 HydrophobicContact CG-CB 4.45Å; M308-V322 HydrophobicContact CG-CG1 3.81Å; M308-V322 HydrophobicContact SD-CG1 4.23Å; M308-P324 HydrophobicContact CB-CG 4.09Å; M308-P324 HydrophobicContact CE-CB 4.05Å; M308-P324 HydrophobicContact CE-CG 4.05Å; M308-P324 HydrophobicContact CG-CG 4.35Å; M308-P324 VanDerWaalsContact SD-CA 3.52Å; M308-P324 HydrophobicContact SD-CB 3.86Å; M308-P324 HydrophobicContact SD-CG 3.67Å; M308-T365 HydrophobicContact CE-CG2 4.44Å; M308-G367 VanDerWaalsContact SD-CA 3.56Å
309	E	98.9	Very high	98.7	Very high	57 Å²	57	58.2 Å²	58.2	27%	0.266	31%	0.311	S	S	.	.	H	α-helix	trans	-73.7	-9.9	179.6	-67.8	-177	173.1	0	0	112.9	Q305 V307 Y311 Q321 P324	Q305-E309 VanDerWaalsContact CG-CD 3.47Å; Q305-E309 HydrophobicContact CG-CG 4.03Å; Q305-E309 WeakPolarHBondContact CG-OE1 3.2Å; Q305-E309 PolarHBondContact NE2-OE1 3.37Å; Q305-E309 WeakPolarHBondContact O-CB 3.48Å; Q305-E309 WeakPolarHBondContact O-CG 3.42Å; Q305-E309 PolarHBondContact O-N 2.73Å; V307-E309 PolarHBondContact O-N 2.69Å; E309-Y311 PolarHBondContact O-N 3.25Å; E309-Q321 WeakPolarHBondContact O-CG 3.35Å; E309-Q321 PolarHBondContact O-NE2 3.35Å; E309-P324 HydrophobicContact CG-CG 4.44Å
310	S	98.9	Very high	98.7	Very high	87 Å²	87	58.8 Å²	58.8	61%	0.608	31%	0.311	S	S	*	.	T	Hydrogen-bonded Turn	trans	-73.5	-13.9	172.3	79.4	0	0	0	0	113.5	E306 V307 M308	E306-S310 PolarHBondContact O-N 3.25Å; V307-S310 WeakPolarHBondContact O-CB 3.46Å; V307-S310 PolarHBondContact O-N 3.06Å; V307-S310 PolarHBondContact O-OG 3.28Å; M308-S310 PolarHBondContact O-N 3.03Å
311	Y	98.9	Very high	98.7	Very high	31 Å²	31	64 Å²	64	12%	0.122	34%	0.335	C	S	.	.			trans	-93.8	134.7	179.2	-74.5	-100.1	0	0	0	112.1	T275 K278 A279 D282 V307 M308 E309 V322	T275-Y311 HydrophobicContact CG2-CD1 4.22Å; K278-Y311 HydrophobicContact CD-CE1 3.95Å; K278-Y311 HydrophobicContact CG-CE1 4.07Å; A279-Y311 VanDerWaalsContact CB-CB 3.5Å; A279-Y311 HydrophobicContact CB-CD1 3.81Å; A279-Y311 HydrophobicContact CB-CD2 3.74Å; A279-Y311 HydrophobicContact CB-CE1 4.46Å; A279-Y311 HydrophobicContact CB-CE2 4.42Å; A279-Y311 HydrophobicContact CB-CG 3.41Å; A279-Y311 VanDerWaalsContact CB-CG 3.41Å; D282-Y311 HydrophobicContact CB-CE2 4.17Å; D282-Y311 WeakPolarHBondContact OD2-CE2 3.34Å; D282-Y311 PolarHBondContact OD2-OH 3.07Å; V307-Y311 HydrophobicContact CG1-CE2 4.27Å; V307-Y311 VanDerWaalsContact O-CD2 3.28Å; V307-Y311 WeakPolarHBondContact O-CD2 3.31Å; M308-Y311 PolarHBondContact O-N 3.28Å; E309-Y311 PolarHBondContact O-N 3.25Å; Y311-V322 PolarHBondContact O-N 2.84Å; Y311-V322 VanDerWaalsContact O-N 3.08Å
312	E	98.6	Very high	98.8	Very high	148 Å²	148	64 Å²	64	69%	0.692	34%	0.335	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-111.3	144	165.1	61.8	-176	175.2	0	0	110.4	Y320	E312-Y320 CarbonylContact C-O 3.51Å; E312-Y320 WeakPolarHBondContact CA-O 3.4Å
313	V	98.5	Very high	98.8	Very high	6 Å²	6	62.9 Å²	62.9	4%	0.036	33%	0.329	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.3	145.5	-179.1	-56	0	0	0	0	110.4	T275 L276 I315 T319 Y320 V322 T369	T275-V313 HydrophobicContact CG2-CG1 3.75Å; L276-V313 HydrophobicContact CB-CG1 4.24Å; V313-I315 HydrophobicContact CG2-CD1 4.22Å; V313-I315 HydrophobicContact CG2-CG1 4.42Å; V313-T319 CarbonylContact O-C 3.59Å; V313-T319 VanDerWaalsContact O-CA 3.26Å; V313-T319 WeakPolarHBondContact O-CA 3.38Å; V313-Y320 HydrophobicContact CG2-CD2 4.35Å; V313-Y320 PolarHBondContact N-O 2.98Å; V313-Y320 PolarHBondContact O-N 3.29Å; V313-V322 HydrophobicContact CG1-CG2 3.7Å; V313-V322 HydrophobicContact CG2-CG2 4.3Å; V313-T369 HydrophobicContact CG2-CG2 4.29Å
314	E	98.7	Very high	98.8	Very high	134 Å²	134	62.3 Å²	62.3	63%	0.626	32%	0.323	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-113.6	119.7	170.7	-171.6	-174.6	159.5	0	0	109.3	K318	E314-K318 WeakPolarHBondContact CA-O 3.48Å
315	I	98.7	Very high	98.8	Very high	2 Å²	2	62.3 Å²	62.3	1%	0.01	32%	0.323	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.9	122.9	179	-56.3	173.7	0	0	0	107.8	K272 Y273 L276 V313 G317 K318 Y320 T369 Y454	K272-I315 HydrophobicContact CD-CG2 3.97Å; K272-I315 HydrophobicContact CG-CG2 4.2Å; Y273-I315 HydrophobicContact CD1-CD1 3.78Å; Y273-I315 HydrophobicContact CE1-CD1 3.99Å; Y273-I315 HydrophobicContact CE1-CG2 4.03Å; L276-I315 HydrophobicContact CD2-CD1 4.49Å; V313-I315 HydrophobicContact CG2-CD1 4.22Å; V313-I315 HydrophobicContact CG2-CG1 4.42Å; I315-G317 VanDerWaalsContact C-N 3.27Å; I315-G317 PolarHBondContact O-N 3.09Å; I315-K318 PolarHBondContact N-O 3.1Å; I315-K318 PolarHBondContact O-N 3.48Å; I315-K318 VanDerWaalsContact O-N 3.12Å; I315-Y320 HydrophobicContact CB-CE2 4.49Å; I315-T369 HydrophobicContact CD1-CG2 4.17Å; I315-Y454 HydrophobicContact CB-CE2 4.38Å; I315-Y454 HydrophobicContact CD1-CD2 3.94Å; I315-Y454 HydrophobicContact CG2-CD2 4.08Å; I315-Y454 HydrophobicContact CG2-CE2 3.58Å
316	D	98.3	Very high	98.8	Very high	101 Å²	101	68.1 Å²	68.1	54%	0.54	34%	0.344	S	S	.	.	T	Hydrogen-bonded Turn	trans	53.1	41.6	179.5	-51	-43	0	0	0	112.9	K272 K318 Y454	K272-D316 IonicContact NZ-OD1 2.98Å; K272-D316 PolarHBondContact NZ-OD1 3.4Å; K272-D316 IonicContact NZ-OD2 3.85Å; K272-D316 PolarHBondContact NZ-OD2 2.93Å; D316-K318 VanDerWaalsContact C-N 3.32Å; D316-K318 PolarHBondContact O-N 2.79Å; D316-Y454 PolarHBondContact OD2-OH 3.19Å; D316-Y454 VanDerWaalsContact OD2-OH 3.05Å
317	G	98.3	Very high	98.7	Very high	61 Å²	61	64.7 Å²	64.7	63%	0.629	33%	0.33	S	S	*	.	T	Hydrogen-bonded Turn	trans	75.5	13.9	178.3	0	0	0	0	0	115.1	I315	I315-G317 VanDerWaalsContact C-N 3.27Å; I315-G317 PolarHBondContact O-N 3.09Å
318	K	98.7	Very high	98.7	Very high	133 Å²	133	64.1 Å²	64.1	58%	0.578	33%	0.327	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-121.2	131.2	176	-68.5	179.7	179.5	176	0	110.8	E314 I315 D316 Y320	E314-K318 WeakPolarHBondContact CA-O 3.48Å; I315-K318 PolarHBondContact N-O 3.1Å; I315-K318 PolarHBondContact O-N 3.48Å; I315-K318 VanDerWaalsContact O-N 3.12Å; D316-K318 VanDerWaalsContact C-N 3.32Å; D316-K318 PolarHBondContact O-N 2.79Å; K318-Y320 HydrophobicContact CB-CE2 3.6Å; K318-Y320 WeakPolarHBondContact CB-OH 3.33Å; K318-Y320 VanDerWaalsContact CD-OH 3.26Å; K318-Y320 WeakPolarHBondContact CD-OH 3.31Å; K318-Y320 WeakPolarHBondContact O-CD2 3.49Å; K318-Y320 WeakPolarHBondContact O-CE2 3.29Å
319	T	98.7	Very high	98.7	Very high	95 Å²	95	66.5 Å²	66.5	58%	0.583	34%	0.339	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-90	139.2	176.4	-49.1	0	0	0	0	111.2	V313	V313-T319 CarbonylContact O-C 3.59Å; V313-T319 VanDerWaalsContact O-CA 3.26Å; V313-T319 WeakPolarHBondContact O-CA 3.38Å
320	Y	98.8	Very high	98.7	Very high	59 Å²	59	63.9 Å²	63.9	23%	0.231	33%	0.327	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.8	137.6	175.6	-52.5	-92.8	0	0	0	109.5	E312 V313 I315 K318 T369	E312-Y320 CarbonylContact C-O 3.51Å; E312-Y320 WeakPolarHBondContact CA-O 3.4Å; V313-Y320 HydrophobicContact CG2-CD2 4.35Å; V313-Y320 PolarHBondContact N-O 2.98Å; V313-Y320 PolarHBondContact O-N 3.29Å; I315-Y320 HydrophobicContact CB-CE2 4.49Å; K318-Y320 HydrophobicContact CB-CE2 3.6Å; K318-Y320 WeakPolarHBondContact CB-OH 3.33Å; K318-Y320 VanDerWaalsContact CD-OH 3.26Å; K318-Y320 WeakPolarHBondContact CD-OH 3.31Å; K318-Y320 WeakPolarHBondContact O-CD2 3.49Å; K318-Y320 WeakPolarHBondContact O-CE2 3.29Å; Y320-T369 HydrophobicContact CD1-CG2 4.44Å; Y320-T369 WeakPolarHBondContact CD1-O 3.47Å; Y320-T369 HydrophobicContact CD2-CG2 4.04Å; Y320-T369 HydrophobicContact CG-CG2 3.95Å
321	Q	98.9	Very high	98.7	Very high	111 Å²	111	60 Å²	60	52%	0.519	30%	0.3	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.3	131.4	155.2	-173.2	179.6	30.2	0	0	107.7	E309 K323	E309-Q321 WeakPolarHBondContact O-CG 3.35Å; E309-Q321 PolarHBondContact O-NE2 3.35Å; Q321-K323 PolarHBondContact O-N 2.75Å
322	V	98.9	Very high	98.7	Very high	0 Å²	0	58.9 Å²	58.9	0%	0	30%	0.296	C	S	.	.			trans	-69	129.9	178.7	-175.4	0	0	0	0	109	L276 A279 M308 Y311 V313	L276-V322 HydrophobicContact CD1-CB 4.47Å; L276-V322 HydrophobicContact CD1-CG1 3.71Å; L276-V322 HydrophobicContact CD1-CG2 3.92Å; A279-V322 HydrophobicContact CB-CB 4.37Å; A279-V322 HydrophobicContact CB-CG1 4.31Å; A279-V322 HydrophobicContact CB-CG2 3.98Å; M308-V322 HydrophobicContact CG-CB 4.45Å; M308-V322 HydrophobicContact CG-CG1 3.81Å; M308-V322 HydrophobicContact SD-CG1 4.23Å; Y311-V322 PolarHBondContact O-N 2.84Å; Y311-V322 VanDerWaalsContact O-N 3.08Å; V313-V322 HydrophobicContact CG1-CG2 3.7Å; V313-V322 HydrophobicContact CG2-CG2 4.3Å
323	K	98.9	Very high	98.7	Very high	85 Å²	85	52.4 Å²	52.4	37%	0.37	27%	0.266	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.6	131.5	-179.8	-63.1	175.8	-168.1	163.5	0	110.9	Q321 G367 S368 G370	Q321-K323 PolarHBondContact O-N 2.75Å; K323-G367 CarbonylContact O-C 3.6Å; K323-G367 WeakPolarHBondContact O-CA 2.96Å; K323-S368 PolarHBondContact N-O 2.79Å; K323-S368 PolarHBondContact O-N 2.9Å; K323-G370 PolarHBondContact NZ-O 2.69Å; K323-G370 VanDerWaalsContact NZ-O 3.08Å
324	P	98.9	Very high	98.7	Very high	6 Å²	6	53.1 Å²	53.1	4%	0.039	28%	0.275	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-59.4	140	165	-18	28.5	0	0	0	111	Q305 M308 E309 R326 I346 V347 F366	Q305-P324 HydrophobicContact CB-CG 4.2Å; Q305-P324 HydrophobicContact CG-CG 4.09Å; M308-P324 HydrophobicContact CB-CG 4.09Å; M308-P324 HydrophobicContact CE-CB 4.05Å; M308-P324 HydrophobicContact CE-CG 4.05Å; M308-P324 HydrophobicContact CG-CG 4.35Å; M308-P324 VanDerWaalsContact SD-CA 3.52Å; M308-P324 HydrophobicContact SD-CB 3.86Å; M308-P324 HydrophobicContact SD-CG 3.67Å; E309-P324 HydrophobicContact CG-CG 4.44Å; P324-R326 PolarHBondContact O-N 2.85Å; P324-R326 VanDerWaalsContact O-N 3.11Å; P324-I346 HydrophobicContact CB-CD1 4.02Å; P324-I346 HydrophobicContact CB-CG1 3.96Å; P324-I346 WeakPolarHBondContact CB-O 3.46Å; P324-V347 HydrophobicContact CB-CG1 3.76Å; P324-V347 HydrophobicContact CG-CG1 4.21Å; P324-F366 CarbonylContact C-O 3.57Å; P324-F366 VanDerWaalsContact CA-O 3.29Å; P324-F366 WeakPolarHBondContact CA-O 3.46Å
325	I	98.9	Very high	98.7	Very high	0 Å²	0	51.1 Å²	51.1	0%	0	27%	0.265	C	S	.	.			trans	-76.5	96.4	171.7	-56.7	-174.5	0	0	0	108.8	A229 N327 L328 I346 F366 V374 T455	A229-I325 HydrophobicContact CB-CD1 3.69Å; I325-N327 PolarHBondContact O-N 2.9Å; I325-L328 HydrophobicContact CB-CB 4.38Å; I325-L328 HydrophobicContact CB-CD1 4.2Å; I325-L328 HydrophobicContact CB-CG 4.37Å; I325-L328 HydrophobicContact CD1-CD1 4.17Å; I325-L328 HydrophobicContact CG2-CB 4.21Å; I325-L328 HydrophobicContact CG2-CD1 3.87Å; I325-L328 HydrophobicContact CG2-CG 3.79Å; I325-L328 PolarHBondContact O-N 3.16Å; I325-I346 WeakPolarHBondContact O-CD1 3.37Å; I325-F366 HydrophobicContact CB-CB 3.98Å; I325-F366 HydrophobicContact CD1-CB 3.73Å; I325-F366 HydrophobicContact CG1-CB 3.81Å; I325-F366 PolarHBondContact N-O 3.38Å; I325-V374 HydrophobicContact CD1-CG1 4.07Å; I325-V374 HydrophobicContact CG2-CB 4.32Å; I325-V374 HydrophobicContact CG2-CG1 3.69Å; I325-V374 HydrophobicContact CG2-CG2 4.08Å; I325-T455 HydrophobicContact CD1-CG2 3.84Å
326	R	98.7	Very high	98.7	Very high	143 Å²	143	53.4 Å²	53.4	54%	0.54	27%	0.274	S	S	.	.	T	Hydrogen-bonded Turn	trans	-64.6	-15.5	-163.9	71.2	-178.4	168.3	-91.5	10.1	116.6	P324 V347 K371 G372 V373	P324-R326 PolarHBondContact O-N 2.85Å; P324-R326 VanDerWaalsContact O-N 3.11Å; R326-V347 HydrophobicContact CB-CG1 3.84Å; R326-V347 HydrophobicContact CB-CG2 4.02Å; R326-K371 PolarHBondContact NH1-O 2.72Å; R326-G372 WeakPolarHBondContact CG-O 3.26Å; R326-G372 PolarHBondContact N-O 2.91Å; R326-G372 PolarHBondContact NH1-O 2.78Å; R326-V373 HydrophobicContact CG-CG2 4.37Å
327	N	98.7	Very high	98.8	Very high	71 Å²	71	51.5 Å²	51.5	38%	0.38	26%	0.26	S	S	.	.	T	Hydrogen-bonded Turn	trans	-109.8	18.4	176.7	67.5	-43.8	0	0	0	113	I325 V373 V374	I325-N327 PolarHBondContact O-N 2.9Å; N327-V373 VanDerWaalsContact OD1-CA 3.29Å; N327-V373 WeakPolarHBondContact OD1-CA 3.49Å; N327-V373 WeakPolarHBondContact OD1-CG1 3.26Å; N327-V374 WeakPolarHBondContact ND2-CG2 3.12Å; N327-V374 PolarHBondContact ND2-O 2.58Å; N327-V374 PolarHBondContact OD1-N 2.99Å
328	L	98.7	Very high	98.8	Very high	17 Å²	17	49.2 Å²	49.2	9%	0.089	23%	0.233	C	C	.	.			trans	-112.6	153.2	160	-67.7	-178.9	0	0	0	108.9	A229 I325 I346 F366 V374 L447	A229-L328 HydrophobicContact CB-CD1 3.8Å; I325-L328 HydrophobicContact CB-CB 4.38Å; I325-L328 HydrophobicContact CB-CD1 4.2Å; I325-L328 HydrophobicContact CB-CG 4.37Å; I325-L328 HydrophobicContact CD1-CD1 4.17Å; I325-L328 HydrophobicContact CG2-CB 4.21Å; I325-L328 HydrophobicContact CG2-CD1 3.87Å; I325-L328 HydrophobicContact CG2-CG 3.79Å; I325-L328 PolarHBondContact O-N 3.16Å; L328-I346 WeakPolarHBondContact O-CG1 3.41Å; L328-F366 HydrophobicContact CB-CD2 3.66Å; L328-F366 HydrophobicContact CB-CE2 3.93Å; L328-F366 HydrophobicContact CB-CG 4.35Å; L328-F366 HydrophobicContact CD1-CB 4.19Å; L328-F366 HydrophobicContact CD1-CD1 3.81Å; L328-F366 HydrophobicContact CD1-CD2 3.65Å; L328-F366 HydrophobicContact CD1-CE1 3.99Å; L328-F366 HydrophobicContact CD1-CE2 3.87Å; L328-F366 HydrophobicContact CD1-CG 3.62Å; L328-F366 HydrophobicContact CD1-CZ 4.02Å; L328-F366 HydrophobicContact CG-CD2 4.31Å; L328-F366 HydrophobicContact CG-CE2 4.46Å; L328-V374 HydrophobicContact CD1-CG1 4.13Å; L328-V374 HydrophobicContact CD1-CG2 4.24Å; L328-V374 HydrophobicContact CD2-CG2 3.8Å; L328-V374 HydrophobicContact CG-CG2 3.75Å; L328-L447 HydrophobicContact CD2-CD1 3.59Å
329	N	98.4	Very high	98.8	Very high	50 Å²	50	46.2 Å²	46.2	27%	0.267	22%	0.221	S	C	.	.			trans	-154.5	149.7	-167.1	-56	103.4	0	0	0	108.9	V344 P345	N329-V344 CarbonylContact C-O 3.55Å; N329-V344 WeakPolarHBondContact CA-O 3.36Å; N329-V344 WeakPolarHBondContact CB-O 3.45Å; N329-P345 WeakPolarHBondContact ND2-CA 3.25Å
330	G	98.8	Very high	98.7	Very high	1 Å²	1	43.5 Å²	43.5	1%	0.01	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-71.9	-179.4	158.4	0	0	0	0	0	111.1	T343 V344 A362 E364	G330-T343 CarbonylContact O-C 3.54Å; G330-T343 WeakPolarHBondContact O-CA 3.14Å; G330-V344 PolarHBondContact N-O 3.44Å; G330-V344 PolarHBondContact O-N 3.35Å; G330-A362 WeakPolarHBondContact CA-O 3.33Å; G330-E364 VanDerWaalsContact CA-CG 3.5Å
331	H	98.9	Very high	98.7	Very high	7 Å²	7	43.8 Å²	43.8	3%	0.032	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-158.3	158.4	-172.1	53.6	89.7	0	0	0	113.4	D262 I338 H339 K342 Y361 A362 E364	D262-H331 IonicContact OD2-CE1 3.76Å; D262-H331 PolarHBondContact OD2-CE1 2.9Å; D262-H331 IonicContact OD2-NE2 3.49Å; D262-H331 PolarHBondContact OD2-NE2 2.69Å; H331-I338 PolarHBondContact CE1-O 3.1Å; H331-I338 PolarHBondContact ND1-O 3.01Å; H331-H339 AromaticContact CD2-CD2 3.47Å; H331-H339 PolarHBondContact CD2-CD2 3.31Å; H331-H339 VanDerWaalsContact CD2-CD2 3.47Å; H331-H339 AromaticContact CD2-NE2 3.63Å; H331-H339 AromaticContact CE1-CD2 3.61Å; H331-H339 AromaticContact CE1-NE2 3.98Å; H331-H339 AromaticContact CG-CD2 3.37Å; H331-H339 AromaticContact ND1-CD2 3.48Å; H331-H339 PolarHBondContact ND1-CD2 3.42Å; H331-H339 AromaticContact NE2-CD2 3.6Å; H331-H339 AromaticContact NE2-NE2 3.59Å; H331-K342 CarbonylContact C-O 3.53Å; H331-K342 VanDerWaalsContact CA-O 3.26Å; H331-K342 WeakPolarHBondContact CA-O 3.41Å; H331-Y361 CarbonylContact O-C 3.54Å; H331-Y361 VanDerWaalsContact O-CA 3.28Å; H331-Y361 WeakPolarHBondContact O-CA 3.13Å; H331-Y361 WeakPolarHBondContact O-CD1 3.25Å; H331-A362 WeakPolarHBondContact CE1-CB 3.35Å; H331-A362 PolarHBondContact N-O 2.9Å; H331-A362 WeakPolarHBondContact NE2-CB 3.45Å; H331-A362 PolarHBondContact O-N 3.21Å; H331-E364 IonicContact CD2-OE1 2.93Å; H331-E364 PolarHBondContact CD2-OE1 2.91Å; H331-E364 IonicContact NE2-OE1 3.23Å
332	S	98.9	Very high	98.6	Very high	6 Å²	6	40.2 Å²	40.2	4%	0.042	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-73	149	165.7	61.6	0	0	0	0	111	A340 K342 V360	S332-A340 PolarHBondContact O-N 3.39Å; S332-A340 WeakPolarHBondContact OG-CB 3.16Å; S332-K342 PolarHBondContact N-O 3.27Å; S332-K342 PolarHBondContact OG-N 3.48Å; S332-K342 VanDerWaalsContact OG-N 3.1Å; S332-V360 CarbonylContact C-O 3.58Å; S332-V360 VanDerWaalsContact CA-O 3.25Å; S332-V360 WeakPolarHBondContact CA-O 3.4Å
333	I	98.9	Very high	98.6	Very high	12 Å²	12	43.9 Å²	43.9	6%	0.062	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.8	137.9	179.2	-64.7	171	0	0	0	109.3	I260 D262 I338 V360 A362 T461	I260-I333 HydrophobicContact CB-CG2 4.03Å; I260-I333 HydrophobicContact CD1-CG2 4.49Å; D262-I333 HydrophobicContact CB-CD1 3.9Å; I333-I338 WeakPolarHBondContact CG1-O 3.32Å; I333-V360 HydrophobicContact CB-CB 4.25Å; I333-V360 HydrophobicContact CB-CG1 3.96Å; I333-V360 HydrophobicContact CD1-CG1 4.33Å; I333-V360 HydrophobicContact CG2-CG1 4.43Å; I333-V360 PolarHBondContact N-O 3.38Å; I333-A362 HydrophobicContact CD1-CB 3.99Å; I333-A362 HydrophobicContact CG1-CB 4.42Å; I333-T461 HydrophobicContact CD1-CG2 4.26Å
334	G	98.8	Very high	98.6	Very high	22 Å²	22	39.9 Å²	39.9	23%	0.227	22%	0.217	C	C	.	.	B	Isolated β-bridge	trans	-122.1	172.9	176.1	0	0	0	0	0	111.6	Y336 R337	G334-Y336 PolarHBondContact O-N 3.15Å; G334-R337 PolarHBondContact N-O 3.39Å; G334-R337 PolarHBondContact O-N 2.83Å; G334-R337 VanDerWaalsContact O-N 3.1Å
335	Q	98.9	Very high	98.6	Very high	91 Å²	91	40 Å²	40	43%	0.425	22%	0.217	S	C	.	.	T	Hydrogen-bonded Turn	trans	-64.3	119.7	177.4	-161.1	-178.1	6	0	0	110.3	S257 G258 R337	S257-Q335 WeakPolarHBondContact O-CG 3.3Å; S257-Q335 PolarHBondContact O-NE2 2.87Å; G258-Q335 WeakPolarHBondContact O-CA 3.07Å; Q335-R337 PolarHBondContact O-N 2.86Å; Q335-R337 VanDerWaalsContact O-N 3.15Å
336	Y	98.8	Very high	98.6	Very high	51 Å²	51	40 Å²	40	20%	0.2	22%	0.217	C	C	.	.	T	Hydrogen-bonded Turn	trans	56.6	20.1	-173.4	-56	-77.2	0	0	0	114.8	L213 S257 G258 G334 T412 L413	L213-Y336 HydrophobicContact CB-CE1 4.4Å; L213-Y336 VanDerWaalsContact O-CE1 3.24Å; L213-Y336 WeakPolarHBondContact O-CE1 3.36Å; L213-Y336 PolarHBondContact O-OH 2.83Å; L213-Y336 VanDerWaalsContact O-OH 3.05Å; S257-Y336 VanDerWaalsContact C-CZ 3.45Å; S257-Y336 VanDerWaalsContact C-OH 3.22Å; G258-Y336 VanDerWaalsContact CA-CD1 3.42Å; G258-Y336 VanDerWaalsContact CA-CZ 3.49Å; G258-Y336 VanDerWaalsContact N-CZ 3.29Å; G258-Y336 PolarHBondContact N-OH 3.13Å; G258-Y336 PolarHBondContact O-N 3.1Å; G334-Y336 PolarHBondContact O-N 3.15Å; Y336-T412 WeakPolarHBondContact CB-OG1 3.3Å; Y336-T412 PolarHBondContact O-OG1 3.17Å; Y336-L413 HydrophobicContact CD1-CD1 4.12Å; Y336-L413 HydrophobicContact CD1-CD2 4.26Å; Y336-L413 HydrophobicContact CD1-CG 4.13Å
337	R	98.8	Very high	98.6	Very high	61 Å²	61	34.4 Å²	34.4	23%	0.23	20%	0.199	C	C	.	.	B	Isolated β-bridge	trans	-133.9	98.8	-176.5	-172.1	177.7	-178.8	151.2	10.6	108.8	G334 Q335 H339 F387 D388	G334-R337 PolarHBondContact N-O 3.39Å; G334-R337 PolarHBondContact O-N 2.83Å; G334-R337 VanDerWaalsContact O-N 3.1Å; Q335-R337 PolarHBondContact O-N 2.86Å; Q335-R337 VanDerWaalsContact O-N 3.15Å; R337-H339 VanDerWaalsContact C-N 3.29Å; R337-H339 VanDerWaalsContact CG-O 3.29Å; R337-H339 WeakPolarHBondContact CG-O 3.34Å; R337-H339 PolarHBondContact NE-O 2.81Å; R337-H339 PolarHBondContact O-N 2.84Å; R337-F387 HydrophobicContact CB-CD2 3.79Å; R337-F387 HydrophobicContact CB-CE2 3.8Å; R337-F387 HydrophobicContact CG-CB 4.46Å; R337-F387 HydrophobicContact CG-CD2 3.81Å; R337-F387 HydrophobicContact CG-CE2 4.21Å; R337-F387 HydrophobicContact CG-CG 4.08Å; R337-D388 IonicContact CZ-OD1 2.88Å; R337-D388 IonicContact CZ-OD2 3.49Å; R337-D388 IonicContact NH1-OD1 3.68Å; R337-D388 PolarHBondContact NH1-OD1 3.08Å; R337-D388 IonicContact NH1-OD2 3.59Å; R337-D388 IonicContact NH2-OD1 3.61Å; R337-D388 IonicContact NH2-OD2 2.72Å; R337-D388 PolarHBondContact NH2-OD2 2.97Å; R337-D388 VanDerWaalsContact NH2-OD2 3.07Å
338	I	98.7	Very high	98.5	Very high	12 Å²	12	36.8 Å²	36.8	6%	0.062	21%	0.206	C	C	.	.	S	Bend	trans	-58.7	-42.3	-178.8	-166.2	65.2	0	0	0	111.4	F219 I260 D262 H331 I333 M384	F219-I338 HydrophobicContact CD1-CD1 3.67Å; F219-I338 HydrophobicContact CD1-CG1 4.28Å; F219-I338 HydrophobicContact CE1-CD1 3.71Å; I260-I338 HydrophobicContact CD1-CD1 4.33Å; I260-I338 HydrophobicContact CG2-CD1 3.63Å; D262-I338 HydrophobicContact CB-CD1 4.17Å; D262-I338 VanDerWaalsContact OD2-CD1 3.26Å; D262-I338 WeakPolarHBondContact OD2-CD1 3.45Å; H331-I338 PolarHBondContact CE1-O 3.1Å; H331-I338 PolarHBondContact ND1-O 3.01Å; I333-I338 WeakPolarHBondContact CG1-O 3.32Å; I338-M384 HydrophobicContact CG2-CE 3.71Å; I338-M384 HydrophobicContact CG2-SD 3.58Å; I338-M384 VanDerWaalsContact CG2-SD 3.58Å
339	H	98.2	Very high	98.3	Very high	70 Å²	70	39.7 Å²	39.7	32%	0.324	24%	0.24	S	C	.	.			trans	-109.6	98.2	175.4	-57.3	137.8	0	0	0	111.3	H331 R337 G341	H331-H339 AromaticContact CD2-CD2 3.47Å; H331-H339 PolarHBondContact CD2-CD2 3.31Å; H331-H339 VanDerWaalsContact CD2-CD2 3.47Å; H331-H339 AromaticContact CD2-NE2 3.63Å; H331-H339 AromaticContact CE1-CD2 3.61Å; H331-H339 AromaticContact CE1-NE2 3.98Å; H331-H339 AromaticContact CG-CD2 3.37Å; H331-H339 AromaticContact ND1-CD2 3.48Å; H331-H339 PolarHBondContact ND1-CD2 3.42Å; H331-H339 AromaticContact NE2-CD2 3.6Å; H331-H339 AromaticContact NE2-NE2 3.59Å; R337-H339 VanDerWaalsContact C-N 3.29Å; R337-H339 VanDerWaalsContact CG-O 3.29Å; R337-H339 WeakPolarHBondContact CG-O 3.34Å; R337-H339 PolarHBondContact NE-O 2.81Å; R337-H339 PolarHBondContact O-N 2.84Å; H339-G341 VanDerWaalsContact C-N 3.33Å; H339-G341 PolarHBondContact O-N 2.87Å
340	A	97.8	Very high	98	Very high	38 Å²	38	38.9 Å²	38.9	31%	0.314	24%	0.244	S	C	.	.			trans	-85.4	2.2	-176.9	0	0	0	0	0	115.3	S332	S332-A340 PolarHBondContact O-N 3.39Å; S332-A340 WeakPolarHBondContact OG-CB 3.16Å
341	G	97.3	Very high	97.8	Very high	65 Å²	65	44.9 Å²	44.9	67%	0.67	27%	0.271	S	S	*	.	S	Bend	trans	114.7	-15.4	164.6	0	0	0	0	0	115.9	H339	H339-G341 VanDerWaalsContact C-N 3.33Å; H339-G341 PolarHBondContact O-N 2.87Å
342	K	98.8	Very high	97.7	Very high	36 Å²	36	47.3 Å²	47.3	16%	0.157	29%	0.293	C	S	.	.			trans	-95.1	135.9	168.8	-69.4	-179.8	178.6	174.2	0	109.6	L297 H331 S332 T353 R354 E356 E359 Y361	L297-K342 HydrophobicContact CD1-CB 4.17Å; H331-K342 CarbonylContact C-O 3.53Å; H331-K342 VanDerWaalsContact CA-O 3.26Å; H331-K342 WeakPolarHBondContact CA-O 3.41Å; S332-K342 PolarHBondContact N-O 3.27Å; S332-K342 PolarHBondContact OG-N 3.48Å; S332-K342 VanDerWaalsContact OG-N 3.1Å; K342-T353 HydrophobicContact CD-CG2 4.24Å; K342-T353 HydrophobicContact CG-CG2 4.48Å; K342-R354 PolarHBondContact NZ-O 3.4Å; K342-E356 IonicContact NZ-OE1 2.73Å; K342-E356 PolarHBondContact NZ-OE1 2.95Å; K342-E359 WeakPolarHBondContact CD-OE1 3.34Å; K342-E359 VanDerWaalsContact CE-OE1 3.29Å; K342-E359 WeakPolarHBondContact CE-OE1 3.35Å; K342-E359 VanDerWaalsContact NZ-CD 3.34Å; K342-E359 IonicContact NZ-OE1 3.49Å; K342-E359 PolarHBondContact NZ-OE1 2.84Å; K342-E359 IonicContact NZ-OE2 3.67Å; K342-E359 PolarHBondContact NZ-OE2 2.82Å; K342-Y361 HydrophobicContact CB-CE1 4.25Å; K342-Y361 WeakPolarHBondContact CD-OH 3.3Å
343	T	98.4	Very high	97.7	Very high	77 Å²	77	49.5 Å²	49.5	47%	0.472	31%	0.306	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.1	129.9	177.7	55.6	0	0	0	0	110.7	L297 G330 P345	L297-T343 WeakPolarHBondContact CD1-O 3.42Å; G330-T343 CarbonylContact O-C 3.54Å; G330-T343 WeakPolarHBondContact O-CA 3.14Å; T343-P345 VanDerWaalsContact O-CD 3.31Å; T343-P345 WeakPolarHBondContact O-CD 3.26Å
344	V	98.8	Very high	97.7	Very high	1 Å²	1	55.1 Å²	55.1	1%	0.006	33%	0.326	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.8	106.3	174.8	-172.2	0	0	0	0	108.3	L297 V300 N329 G330 M355 Y361 I363	L297-V344 HydrophobicContact CD2-CG2 4.01Å; V300-V344 HydrophobicContact CB-CG1 4.23Å; V300-V344 HydrophobicContact CG1-CG1 3.69Å; N329-V344 CarbonylContact C-O 3.55Å; N329-V344 WeakPolarHBondContact CA-O 3.36Å; N329-V344 WeakPolarHBondContact CB-O 3.45Å; G330-V344 PolarHBondContact N-O 3.44Å; G330-V344 PolarHBondContact O-N 3.35Å; V344-M355 HydrophobicContact CG1-CE 4.35Å; V344-M355 HydrophobicContact CG2-CE 3.95Å; V344-Y361 HydrophobicContact CG2-CD1 3.44Å; V344-Y361 VanDerWaalsContact CG2-CD1 3.44Å; V344-Y361 HydrophobicContact CG2-CE1 3.82Å; V344-Y361 HydrophobicContact CG2-CG 4.44Å; V344-I363 HydrophobicContact CG1-CD1 4.16Å; V344-I363 HydrophobicContact CG2-CD1 4.07Å
345	P	98.7	Very high	97.7	Very high	9 Å²	9	54 Å²	54	6%	0.058	32%	0.315	C	S	.	.			trans	-64.7	153.8	179	29.7	-34.6	0	0	0	111	L297 G301 N329 T343	L297-P345 WeakPolarHBondContact O-CD 3.48Å; L297-P345 WeakPolarHBondContact O-CG 3.5Å; G301-P345 WeakPolarHBondContact CA-O 3.37Å; G301-P345 PolarHBondContact N-O 3.27Å; N329-P345 WeakPolarHBondContact ND2-CA 3.25Å; T343-P345 VanDerWaalsContact O-CD 3.31Å; T343-P345 WeakPolarHBondContact O-CD 3.26Å
346	I	98.7	Very high	97.7	Very high	0 Å²	0	54.9 Å²	54.9	0%	0	32%	0.319	C	S	.	.	S	Bend	trans	-113.5	11.7	171.7	69.9	174.3	0	0	0	112.3	G301 I304 P324 I325 L328 E364 T365 F366	G301-I346 CarbonylContact O-C 3.52Å; I304-I346 HydrophobicContact CD1-CG2 4.28Å; I304-I346 HydrophobicContact CG2-CB 3.8Å; I304-I346 HydrophobicContact CG2-CG2 4.27Å; P324-I346 HydrophobicContact CB-CD1 4.02Å; P324-I346 HydrophobicContact CB-CG1 3.96Å; P324-I346 WeakPolarHBondContact CB-O 3.46Å; I325-I346 WeakPolarHBondContact O-CD1 3.37Å; L328-I346 WeakPolarHBondContact O-CG1 3.41Å; I346-E364 WeakPolarHBondContact CG2-O 3.5Å; I346-T365 HydrophobicContact CG2-CG2 4.09Å; I346-F366 HydrophobicContact CD1-CB 4.41Å; I346-F366 HydrophobicContact CD1-CD2 4.49Å
347	V	98.7	Very high	97.7	Very high	25 Å²	25	55.1 Å²	55.1	15%	0.152	32%	0.322	C	S	.	.	S	Bend	trans	-137.3	158.1	174.2	-65.4	0	0	0	0	109.8	G301 P324 R326	G301-V347 CarbonylContact O-C 3.52Å; G301-V347 PolarHBondContact O-N 3.05Å; P324-V347 HydrophobicContact CB-CG1 3.76Å; P324-V347 HydrophobicContact CG-CG1 4.21Å; R326-V347 HydrophobicContact CB-CG1 3.84Å; R326-V347 HydrophobicContact CB-CG2 4.02Å
348	K	97.3	Very high	97.7	Very high	121 Å²	121	54 Å²	54	53%	0.526	33%	0.33	S	S	.	.	T	Hydrogen-bonded Turn	trans	-62	158.9	171	76	-171.2	114.1	-164.3	0	111.7	E302 Q305	E302-K348 HydrophobicContact CB-CB 4.06Å; E302-K348 HydrophobicContact CG-CB 4.06Å; Q305-K348 VanDerWaalsContact OE1-CE 3.29Å
349	G	93.3	Very high	97.7	Very high	78 Å²	78	55.3 Å²	55.3	80%	0.804	34%	0.335	S	S	*	.	T	Hydrogen-bonded Turn	trans	89.4	8.3	174.6	0	0	0	0	0	115.5
350	G	93.2	Very high	97.8	Very high	33 Å²	33	52.4 Å²	52.4	34%	0.34	32%	0.322	S	S	.	.			trans	-72.2	-175.6	170.7	0	0	0	0	0	113.6	C298	C298-G350 WeakPolarHBondContact CB-O 3.49Å
351	E	94	Very high	97.8	Very high	127 Å²	127	50.6 Å²	50.6	59%	0.593	31%	0.307	S	S	*	.			trans	-70.9	146.3	-179.4	-61.9	-175.5	172.1	0	0	113.2	C298 T353	C298-E351 WeakPolarHBondContact CB-O 3.43Å; C298-E351 PolarHBondContact N-O 2.92Å; E351-T353 PolarHBondContact O-N 2.69Å; E351-T353 PolarHBondContact OE2-OG1 3.25Å; E351-T353 VanDerWaalsContact OE2-OG1 3.09Å
352	A	97.9	Very high	97.9	Very high	58 Å²	58	47.5 Å²	47.5	48%	0.479	28%	0.276	S	S	.	.			trans	-81.2	9.8	174.7	0	0	0	0	0	113.7
353	T	98.6	Very high	97.9	Very high	52 Å²	52	45.8 Å²	45.8	32%	0.319	27%	0.268	S	S	.	.	P	Polyproline II helix	trans	-51.8	141.5	172.2	-57.7	0	0	0	0	109.9	R296 L297 K342 E351	R296-T353 CarbonylContact C-O 3.48Å; R296-T353 WeakPolarHBondContact CA-O 3.36Å; L297-T353 HydrophobicContact CD1-CG2 4.1Å; L297-T353 WeakPolarHBondContact CG-O 3.31Å; L297-T353 PolarHBondContact N-O 2.65Å; K342-T353 HydrophobicContact CD-CG2 4.24Å; K342-T353 HydrophobicContact CG-CG2 4.48Å; E351-T353 PolarHBondContact O-N 2.69Å; E351-T353 PolarHBondContact OE2-OG1 3.25Å; E351-T353 VanDerWaalsContact OE2-OG1 3.09Å
354	R	98.8	Very high	97.9	Very high	130 Å²	130	43 Å²	43	49%	0.491	25%	0.25	S	S	.	.	B	Isolated β-bridge	trans	-100.9	147.7	-176.9	-74.5	-178.5	165.9	91	-0.6	112.4	D294 V295 R296 K342	D294-R354 WeakPolarHBondContact O-CD 3.45Å; D294-R354 WeakPolarHBondContact O-CG 3.5Å; D294-R354 PolarHBondContact O-NE 2.82Å; V295-R354 VanDerWaalsContact O-CA 3.3Å; V295-R354 WeakPolarHBondContact O-CA 3.31Å; R296-R354 HydrophobicContact CG-CG 4.01Å; K342-R354 PolarHBondContact NZ-O 3.4Å
355	M	98.8	Very high	97.9	Very high	0 Å²	0	43 Å²	43	0%	0	25%	0.25	C	C	.	.	P	Polyproline II helix	trans	-71.3	139.6	164.5	-67.2	-176.7	167.6	0	0	110	A291 G292 D294 V295 L297 V300 V344 Y361 I363 L464	A291-M355 HydrophobicContact CB-CE 3.95Å; A291-M355 HydrophobicContact CB-SD 3.78Å; G292-M355 VanDerWaalsContact O-CB 3.3Å; G292-M355 WeakPolarHBondContact O-CB 3.41Å; D294-M355 PolarHBondContact N-O 3.01Å; V295-M355 PolarHBondContact O-N 3.09Å; L297-M355 HydrophobicContact CD2-CE 3.68Å; L297-M355 HydrophobicContact CD2-CG 3.73Å; V300-M355 HydrophobicContact CG2-CE 4.28Å; V344-M355 HydrophobicContact CG1-CE 4.35Å; V344-M355 HydrophobicContact CG2-CE 3.95Å; M355-Y361 HydrophobicContact CB-CE2 4.09Å; M355-Y361 HydrophobicContact CE-CD1 4.1Å; M355-Y361 HydrophobicContact CE-CD2 4.33Å; M355-Y361 HydrophobicContact CE-CE1 4.16Å; M355-Y361 HydrophobicContact CE-CE2 4.41Å; M355-Y361 HydrophobicContact CE-CG 4.18Å; M355-Y361 HydrophobicContact CG-CD2 4.49Å; M355-Y361 HydrophobicContact CG-CE1 4.37Å; M355-Y361 HydrophobicContact CG-CE2 3.77Å; M355-Y361 HydrophobicContact SD-CD2 4.42Å; M355-Y361 HydrophobicContact SD-CE2 4.27Å; M355-I363 HydrophobicContact CE-CD1 4.08Å; M355-L464 HydrophobicContact CB-CD1 3.71Å; M355-L464 HydrophobicContact CG-CD1 4.33Å; M355-L464 HydrophobicContact SD-CD1 4.17Å
356	E	98.9	Very high	97.9	Very high	109 Å²	109	42.7 Å²	42.7	51%	0.509	25%	0.247	S	C	.	.			trans	-116.9	157.8	-173.1	-64.4	175.8	-122.4	0	0	112	K342 G358 E359	K342-E356 IonicContact NZ-OE1 2.73Å; K342-E356 PolarHBondContact NZ-OE1 2.95Å; E356-G358 PolarHBondContact O-N 2.75Å; E356-E359 HydrophobicContact CB-CG 4Å; E356-E359 PolarHBondContact N-OE2 3.1Å; E356-E359 WeakPolarHBondContact O-CB 3.46Å; E356-E359 PolarHBondContact O-N 2.87Å
357	E	98.8	Very high	97.9	Very high	56 Å²	56	42.7 Å²	42.7	26%	0.262	25%	0.247	S	C	.	.	T	Hydrogen-bonded Turn	trans	-62.6	133.8	175.9	-174.7	172.2	99.6	0	0	111.2	R149 K155 L158 I293 E359 P466	R149-E357 IonicContact CZ-OE2 2.78Å; R149-E357 IonicContact NH1-OE2 3.44Å; R149-E357 PolarHBondContact NH1-OE2 3.41Å; R149-E357 IonicContact NH2-OE2 3.4Å; R149-E357 PolarHBondContact NH2-OE2 2.97Å; K155-E357 WeakPolarHBondContact CE-OE2 3.35Å; K155-E357 IonicContact NZ-OE1 3.85Å; K155-E357 PolarHBondContact NZ-OE1 3.32Å; K155-E357 IonicContact NZ-OE2 3.29Å; K155-E357 PolarHBondContact NZ-OE2 3.36Å; L158-E357 WeakPolarHBondContact CD2-OE1 3.25Å; I293-E357 HydrophobicContact CD1-CB 3.67Å; I293-E357 HydrophobicContact CD1-CG 3.74Å; I293-E357 HydrophobicContact CG1-CB 4.15Å; I293-E357 HydrophobicContact CG2-CB 4.28Å; E357-E359 VanDerWaalsContact C-N 3.29Å; E357-P466 HydrophobicContact CG-CB 4.36Å; E357-P466 HydrophobicContact CG-CG 4.12Å
358	G	98.6	Very high	98	Very high	37 Å²	37	41.5 Å²	41.5	38%	0.381	24%	0.24	S	C	.	.	T	Hydrogen-bonded Turn	trans	86.2	-8.1	-179.1	0	0	0	0	0	114.5	E356 L464	E356-G358 PolarHBondContact O-N 2.75Å; G358-L464 PolarHBondContact N-O 2.93Å
359	E	98.9	Very high	98	Very high	40 Å²	40	36.2 Å²	36.2	19%	0.187	22%	0.218	C	C	.	.			trans	-70.8	157.1	174	-66.6	-172.2	138.4	0	0	112.2	K342 E356 E357 Y361 L464	K342-E359 WeakPolarHBondContact CD-OE1 3.34Å; K342-E359 VanDerWaalsContact CE-OE1 3.29Å; K342-E359 WeakPolarHBondContact CE-OE1 3.35Å; K342-E359 VanDerWaalsContact NZ-CD 3.34Å; K342-E359 IonicContact NZ-OE1 3.49Å; K342-E359 PolarHBondContact NZ-OE1 2.84Å; K342-E359 IonicContact NZ-OE2 3.67Å; K342-E359 PolarHBondContact NZ-OE2 2.82Å; E356-E359 HydrophobicContact CB-CG 4Å; E356-E359 PolarHBondContact N-OE2 3.1Å; E356-E359 WeakPolarHBondContact O-CB 3.46Å; E356-E359 PolarHBondContact O-N 2.87Å; E357-E359 VanDerWaalsContact C-N 3.29Å; E359-Y361 HydrophobicContact CB-CD2 4.21Å; E359-Y361 HydrophobicContact CB-CE2 3.6Å; E359-Y361 HydrophobicContact CG-CE2 4.44Å; E359-Y361 VanDerWaalsContact OE2-CE2 3.27Å; E359-Y361 WeakPolarHBondContact OE2-CE2 3.4Å; E359-Y361 VanDerWaalsContact OE2-CZ 3.32Å; E359-Y361 PolarHBondContact OE2-OH 3.22Å; E359-L464 HydrophobicContact CB-CD1 4.42Å; E359-L464 WeakPolarHBondContact O-CB 3.45Å; E359-L464 PolarHBondContact O-N 2.82Å
360	V	98.9	Very high	98.3	Very high	8 Å²	8	32.8 Å²	32.8	5%	0.048	18%	0.183	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.5	138.3	175.3	179.3	0	0	0	0	107.7	F169 S332 I333 T461 I462 L463	F169-V360 HydrophobicContact CE1-CG1 3.97Å; F169-V360 HydrophobicContact CE1-CG2 4.45Å; F169-V360 HydrophobicContact CE2-CG2 3.94Å; F169-V360 HydrophobicContact CZ-CB 4.32Å; F169-V360 HydrophobicContact CZ-CG1 4.03Å; F169-V360 HydrophobicContact CZ-CG2 3.71Å; S332-V360 CarbonylContact C-O 3.58Å; S332-V360 VanDerWaalsContact CA-O 3.25Å; S332-V360 WeakPolarHBondContact CA-O 3.4Å; I333-V360 HydrophobicContact CB-CB 4.25Å; I333-V360 HydrophobicContact CB-CG1 3.96Å; I333-V360 HydrophobicContact CD1-CG1 4.33Å; I333-V360 HydrophobicContact CG2-CG1 4.43Å; I333-V360 PolarHBondContact N-O 3.38Å; V360-T461 HydrophobicContact CG1-CG2 3.59Å; V360-I462 WeakPolarHBondContact CA-O 3.42Å; V360-I462 WeakPolarHBondContact CG1-O 3.28Å; V360-L463 HydrophobicContact CB-CD2 4.39Å; V360-L463 HydrophobicContact CG1-CD2 3.89Å; V360-L463 HydrophobicContact CG2-CD2 3.68Å
361	Y	98.9	Very high	98.6	Very high	0 Å²	0	37.7 Å²	37.7	0%	0	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.8	137	-179.7	-75.1	-91.1	0	0	0	111.8	L297 H331 K342 V344 M355 E359 T461 I462 L464	L297-Y361 HydrophobicContact CD2-CE1 4.16Å; H331-Y361 CarbonylContact O-C 3.54Å; H331-Y361 VanDerWaalsContact O-CA 3.28Å; H331-Y361 WeakPolarHBondContact O-CA 3.13Å; H331-Y361 WeakPolarHBondContact O-CD1 3.25Å; K342-Y361 HydrophobicContact CB-CE1 4.25Å; K342-Y361 WeakPolarHBondContact CD-OH 3.3Å; V344-Y361 HydrophobicContact CG2-CD1 3.44Å; V344-Y361 VanDerWaalsContact CG2-CD1 3.44Å; V344-Y361 HydrophobicContact CG2-CE1 3.82Å; V344-Y361 HydrophobicContact CG2-CG 4.44Å; M355-Y361 HydrophobicContact CB-CE2 4.09Å; M355-Y361 HydrophobicContact CE-CD1 4.1Å; M355-Y361 HydrophobicContact CE-CD2 4.33Å; M355-Y361 HydrophobicContact CE-CE1 4.16Å; M355-Y361 HydrophobicContact CE-CE2 4.41Å; M355-Y361 HydrophobicContact CE-CG 4.18Å; M355-Y361 HydrophobicContact CG-CD2 4.49Å; M355-Y361 HydrophobicContact CG-CE1 4.37Å; M355-Y361 HydrophobicContact CG-CE2 3.77Å; M355-Y361 HydrophobicContact SD-CD2 4.42Å; M355-Y361 HydrophobicContact SD-CE2 4.27Å; E359-Y361 HydrophobicContact CB-CD2 4.21Å; E359-Y361 HydrophobicContact CB-CE2 3.6Å; E359-Y361 HydrophobicContact CG-CE2 4.44Å; E359-Y361 VanDerWaalsContact OE2-CE2 3.27Å; E359-Y361 WeakPolarHBondContact OE2-CE2 3.4Å; E359-Y361 VanDerWaalsContact OE2-CZ 3.32Å; E359-Y361 PolarHBondContact OE2-OH 3.22Å; Y361-T461 CarbonylContact O-C 3.55Å; Y361-T461 VanDerWaalsContact O-CA 3.31Å; Y361-T461 WeakPolarHBondContact O-CA 3.41Å; Y361-I462 PolarHBondContact N-O 3.05Å; Y361-I462 PolarHBondContact O-N 2.86Å; Y361-L464 HydrophobicContact CD2-CD1 3.85Å; Y361-L464 HydrophobicContact CD2-CG 4.25Å; Y361-L464 HydrophobicContact CE2-CD1 3.73Å
362	A	98.9	Very high	98.8	Very high	0 Å²	0	31.7 Å²	31.7	0%	0	17%	0.167	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-76.4	114.8	152.7	0	0	0	0	0	108.4	D262 G330 H331 I333 E459	D262-A362 HydrophobicContact CB-CB 4.25Å; G330-A362 WeakPolarHBondContact CA-O 3.33Å; H331-A362 WeakPolarHBondContact CE1-CB 3.35Å; H331-A362 PolarHBondContact N-O 2.9Å; H331-A362 WeakPolarHBondContact NE2-CB 3.45Å; H331-A362 PolarHBondContact O-N 3.21Å; I333-A362 HydrophobicContact CD1-CB 3.99Å; I333-A362 HydrophobicContact CG1-CB 4.42Å; A362-E459 WeakPolarHBondContact CB-OE1 3.13Å
363	I	98.9	Very high	98.8	Very high	1 Å²	1	30.8 Å²	30.8	1%	0.005	16%	0.156	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.3	98.4	169.7	-53.4	-61	0	0	0	107.7	T284 I288 A291 V344 M355 E459 H460 I462	T284-I363 WeakPolarHBondContact CG2-O 3.29Å; I288-I363 HydrophobicContact CG1-CB 3.86Å; I288-I363 HydrophobicContact CG1-CG1 4.29Å; I288-I363 HydrophobicContact CG1-CG2 3.82Å; A291-I363 HydrophobicContact CB-CD1 4.38Å; V344-I363 HydrophobicContact CG1-CD1 4.16Å; V344-I363 HydrophobicContact CG2-CD1 4.07Å; M355-I363 HydrophobicContact CE-CD1 4.08Å; I363-E459 WeakPolarHBondContact O-CA 3.38Å; I363-H460 PolarHBondContact N-O 3.3Å; I363-H460 PolarHBondContact O-N 3.34Å; I363-H460 VanDerWaalsContact O-N 3.08Å; I363-I462 HydrophobicContact CD1-CD1 4.11Å; I363-I462 HydrophobicContact CG1-CD1 3.69Å; I363-I462 HydrophobicContact CG1-CG1 4Å; I363-I462 HydrophobicContact CG1-CG2 4.38Å
364	E	98.9	Very high	98.8	Very high	19 Å²	19	28.6 Å²	28.6	9%	0.089	14%	0.142	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.8	149.2	177.1	47.8	176.3	165.7	0	0	111.4	G330 H331 I346 F366 Q457 F458 E459	G330-E364 VanDerWaalsContact CA-CG 3.5Å; H331-E364 IonicContact CD2-OE1 2.93Å; H331-E364 PolarHBondContact CD2-OE1 2.91Å; H331-E364 IonicContact NE2-OE1 3.23Å; I346-E364 WeakPolarHBondContact CG2-O 3.5Å; E364-F366 HydrophobicContact CB-CE2 4.31Å; E364-F366 HydrophobicContact CG-CE2 4.16Å; E364-F366 WeakPolarHBondContact OE2-CE2 3.48Å; E364-F366 WeakPolarHBondContact OE2-CZ 3.48Å; E364-Q457 PolarHBondContact OE2-NE2 3.17Å; E364-Q457 VanDerWaalsContact OE2-NE2 3.15Å; E364-F458 WeakPolarHBondContact CA-O 3.36Å; E364-E459 HydrophobicContact CB-CB 3.67Å; E364-E459 HydrophobicContact CB-CG 3.67Å
365	T	98.9	Very high	98.8	Very high	0 Å²	0	26.9 Å²	26.9	0%	0	14%	0.139	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.1	148.9	172.4	77.3	0	0	0	0	110.6	V280 T284 I304 M308 I346 Q457 F458	V280-T365 WeakPolarHBondContact CG1-O 3.3Å; V280-T365 WeakPolarHBondContact CG1-OG1 3.36Å; V280-T365 PolarHBondContact O-OG1 3.04Å; T284-T365 PolarHBondContact N-OG1 3.22Å; T284-T365 WeakPolarHBondContact OG1-CB 3.39Å; T284-T365 PolarHBondContact OG1-N 3.48Å; T284-T365 PolarHBondContact OG1-OG1 2.96Å; I304-T365 HydrophobicContact CD1-CG2 3.94Å; I304-T365 HydrophobicContact CG1-CG2 4.18Å; I304-T365 HydrophobicContact CG2-CG2 3.57Å; M308-T365 HydrophobicContact CE-CG2 4.44Å; I346-T365 HydrophobicContact CG2-CG2 4.09Å; T365-Q457 WeakPolarHBondContact O-CA 3.42Å; T365-F458 PolarHBondContact N-O 2.9Å; T365-F458 PolarHBondContact O-N 3.32Å
366	F	98.9	Very high	98.8	Very high	2 Å²	2	32 Å²	32	1%	0.009	17%	0.167	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.7	118.8	-178.9	-61.1	-95.5	0	0	0	110.1	A229 A230 P324 I325 L328 I346 E364 A456 Q457	A229-F366 HydrophobicContact CB-CD1 4.05Å; A229-F366 HydrophobicContact CB-CE1 4.41Å; A230-F366 HydrophobicContact CB-CE1 4.25Å; A230-F366 HydrophobicContact CB-CZ 4.4Å; P324-F366 CarbonylContact C-O 3.57Å; P324-F366 VanDerWaalsContact CA-O 3.29Å; P324-F366 WeakPolarHBondContact CA-O 3.46Å; I325-F366 HydrophobicContact CB-CB 3.98Å; I325-F366 HydrophobicContact CD1-CB 3.73Å; I325-F366 HydrophobicContact CG1-CB 3.81Å; I325-F366 PolarHBondContact N-O 3.38Å; L328-F366 HydrophobicContact CB-CD2 3.66Å; L328-F366 HydrophobicContact CB-CE2 3.93Å; L328-F366 HydrophobicContact CB-CG 4.35Å; L328-F366 HydrophobicContact CD1-CB 4.19Å; L328-F366 HydrophobicContact CD1-CD1 3.81Å; L328-F366 HydrophobicContact CD1-CD2 3.65Å; L328-F366 HydrophobicContact CD1-CE1 3.99Å; L328-F366 HydrophobicContact CD1-CE2 3.87Å; L328-F366 HydrophobicContact CD1-CG 3.62Å; L328-F366 HydrophobicContact CD1-CZ 4.02Å; L328-F366 HydrophobicContact CG-CD2 4.31Å; L328-F366 HydrophobicContact CG-CE2 4.46Å; I346-F366 HydrophobicContact CD1-CB 4.41Å; I346-F366 HydrophobicContact CD1-CD2 4.49Å; E364-F366 HydrophobicContact CB-CE2 4.31Å; E364-F366 HydrophobicContact CG-CE2 4.16Å; E364-F366 WeakPolarHBondContact OE2-CE2 3.48Å; E364-F366 WeakPolarHBondContact OE2-CZ 3.48Å; F366-A456 VanDerWaalsContact CA-O 3.29Å; F366-A456 WeakPolarHBondContact CA-O 3.47Å; F366-Q457 HydrophobicContact CD1-CB 3.72Å; F366-Q457 HydrophobicContact CD1-CG 3.78Å; F366-Q457 HydrophobicContact CE1-CB 3.67Å; F366-Q457 HydrophobicContact CE1-CG 3.34Å; F366-Q457 HydrophobicContact CE2-CG 4.38Å; F366-Q457 HydrophobicContact CG-CG 4.48Å; F366-Q457 HydrophobicContact CZ-CB 4.49Å; F366-Q457 VanDerWaalsContact CZ-CD 3.49Å; F366-Q457 HydrophobicContact CZ-CG 3.68Å; F366-Q457 VanDerWaalsContact CZ-NE2 3.3Å
367	G	98.9	Very high	98.8	Very high	0 Å²	0	30.5 Å²	30.5	0%	0	16%	0.163	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.2	138.2	173.4	0	0	0	0	0	111.1	V280 M308 K323 T455 A456	V280-G367 VanDerWaalsContact CG2-CA 3.47Å; V280-G367 VanDerWaalsContact CG2-N 3.34Å; M308-G367 VanDerWaalsContact SD-CA 3.56Å; K323-G367 CarbonylContact O-C 3.6Å; K323-G367 WeakPolarHBondContact O-CA 2.96Å; G367-T455 CarbonylContact O-C 3.5Å; G367-T455 WeakPolarHBondContact O-CA 3.34Å; G367-A456 PolarHBondContact N-O 3.18Å; G367-A456 PolarHBondContact O-N 2.78Å
368	S	98.9	Very high	98.8	Very high	0 Å²	0	32.4 Å²	32.4	0%	0	17%	0.173	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.6	146.5	-178.9	-178.4	0	0	0	0	112.1	K323 G370 D449 Y454	K323-S368 PolarHBondContact N-O 2.79Å; K323-S368 PolarHBondContact O-N 2.9Å; S368-G370 VanDerWaalsContact C-N 3.34Å; S368-G370 PolarHBondContact OG-N 3.17Å; S368-D449 WeakPolarHBondContact CB-OD2 3.49Å; S368-D449 PolarHBondContact OG-OD2 3.39Å; S368-Y454 WeakPolarHBondContact CA-O 3.31Å
369	T	98.9	Very high	98.8	Very high	10 Å²	10	36.2 Å²	36.2	6%	0.061	18%	0.18	C	C	.	.	S	Bend	trans	-86.4	-6.2	166	62.6	0	0	0	0	113.2	L276 V313 I315 Y320 Y454	L276-T369 HydrophobicContact CD2-CG2 4.47Å; V313-T369 HydrophobicContact CG2-CG2 4.29Å; I315-T369 HydrophobicContact CD1-CG2 4.17Å; Y320-T369 HydrophobicContact CD1-CG2 4.44Å; Y320-T369 WeakPolarHBondContact CD1-O 3.47Å; Y320-T369 HydrophobicContact CD2-CG2 4.04Å; Y320-T369 HydrophobicContact CG-CG2 3.95Å; T369-Y454 HydrophobicContact CG2-CD2 4.43Å; T369-Y454 PolarHBondContact N-O 3.49Å; T369-Y454 PolarHBondContact OG1-N 2.92Å
370	G	98.8	Very high	98.8	Very high	7 Å²	7	35.2 Å²	35.2	7%	0.072	18%	0.178	C	C	.	.	S	Bend	trans	-88.3	-134.3	-175.2	0	0	0	0	0	114.2	K323 S368 G372 S453	K323-G370 PolarHBondContact NZ-O 2.69Å; K323-G370 VanDerWaalsContact NZ-O 3.08Å; S368-G370 VanDerWaalsContact C-N 3.34Å; S368-G370 PolarHBondContact OG-N 3.17Å; G370-G372 VanDerWaalsContact C-N 3.33Å; G370-S453 VanDerWaalsContact CA-CB 3.48Å
371	K	98.7	Very high	98.8	Very high	136 Å²	136	34.9 Å²	34.9	59%	0.591	18%	0.176	S	C	*	.			trans	-82.1	-12.6	177.9	-75	-169.1	175	180	0	113	R326 V373 D449 I450	R326-K371 PolarHBondContact NH1-O 2.72Å; K371-V373 VanDerWaalsContact C-N 3.3Å; K371-V373 HydrophobicContact CB-CG2 4.49Å; K371-D449 PolarHBondContact N-OD1 3.36Å; K371-D449 PolarHBondContact N-OD2 3.23Å; K371-I450 HydrophobicContact CB-CG2 4.46Å; K371-I450 HydrophobicContact CD-CG2 3.75Å; K371-I450 HydrophobicContact CG-CD1 4.2Å; K371-I450 HydrophobicContact CG-CG1 4.49Å; K371-I450 HydrophobicContact CG-CG2 3.87Å
372	G	98.7	Very high	98.8	Very high	1 Å²	1	35.5 Å²	35.5	1%	0.01	18%	0.179	C	C	.	.	S	Bend	trans	65.1	38.9	-171.6	0	0	0	0	0	110.7	R326 G370 D449	R326-G372 WeakPolarHBondContact CG-O 3.26Å; R326-G372 PolarHBondContact N-O 2.91Å; R326-G372 PolarHBondContact NH1-O 2.78Å; G370-G372 VanDerWaalsContact C-N 3.33Å; G372-D449 PolarHBondContact N-OD2 3.41Å
373	V	98.8	Very high	98.8	Very high	38 Å²	38	36.3 Å²	36.3	23%	0.23	18%	0.182	C	C	.	.			trans	-146.5	134.9	175.4	-171.2	0	0	0	0	108.7	R326 N327 K371 D449	R326-V373 HydrophobicContact CG-CG2 4.37Å; N327-V373 VanDerWaalsContact OD1-CA 3.29Å; N327-V373 WeakPolarHBondContact OD1-CA 3.49Å; N327-V373 WeakPolarHBondContact OD1-CG1 3.26Å; K371-V373 VanDerWaalsContact C-N 3.3Å; K371-V373 HydrophobicContact CB-CG2 4.49Å; V373-D449 WeakPolarHBondContact O-CA 3.43Å
374	V	98.9	Very high	98.8	Very high	7 Å²	7	37.1 Å²	37.1	4%	0.042	19%	0.186	C	C	.	.			trans	-98.7	150.9	169.7	-69.8	0	0	0	0	112.2	A229 I325 N327 L328 L447 C448	A229-V374 HydrophobicContact CB-CG1 3.91Å; I325-V374 HydrophobicContact CD1-CG1 4.07Å; I325-V374 HydrophobicContact CG2-CB 4.32Å; I325-V374 HydrophobicContact CG2-CG1 3.69Å; I325-V374 HydrophobicContact CG2-CG2 4.08Å; N327-V374 WeakPolarHBondContact ND2-CG2 3.12Å; N327-V374 PolarHBondContact ND2-O 2.58Å; N327-V374 PolarHBondContact OD1-N 2.99Å; L328-V374 HydrophobicContact CD1-CG1 4.13Å; L328-V374 HydrophobicContact CD1-CG2 4.24Å; L328-V374 HydrophobicContact CD2-CG2 3.8Å; L328-V374 HydrophobicContact CG-CG2 3.75Å; V374-L447 HydrophobicContact CB-CB 3.87Å; V374-L447 HydrophobicContact CG1-CB 4.19Å; V374-L447 HydrophobicContact CG2-CB 3.95Å; V374-L447 HydrophobicContact CG2-CD1 4.4Å; V374-C448 CarbonylContact C-O 3.54Å; V374-C448 VanDerWaalsContact CA-O 3.22Å; V374-C448 WeakPolarHBondContact CA-O 3.3Å
375	H	98.8	Very high	98.8	Very high	93 Å²	93	37.7 Å²	37.7	43%	0.431	19%	0.188	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.8	156	167.2	52.1	-77.1	0	0	0	108.5	D377 C448	H375-D377 PolarHBondContact O-N 3.41Å; H375-C448 PolarHBondContact CE1-O 3.07Å; H375-C448 PolarHBondContact N-O 2.78Å; H375-C448 PolarHBondContact ND1-O 3.24Å; H375-C448 PolarHBondContact O-N 2.92Å
376	D	98.7	Very high	98.8	Very high	108 Å²	108	39.8 Å²	39.8	58%	0.578	20%	0.199	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-60.6	129	173	-58.7	-4	0	0	0	109.4	P445 P446 L447	D376-P445 HydrophobicContact CB-CB 4.18Å; D376-P445 HydrophobicContact CB-CG 3.68Å; D376-P445 WeakPolarHBondContact OD2-CG 3.44Å; D376-P446 WeakPolarHBondContact CA-O 3.25Å; D376-L447 VanDerWaalsContact OD1-CD2 3.28Å; D376-L447 WeakPolarHBondContact OD1-CD2 3.37Å
377	D	98.3	Very high	98.7	Very high	78 Å²	78	44 Å²	44	42%	0.417	22%	0.218	S	C	.	.			trans	-147.1	168	174.1	-166	14.8	0	0	0	110	H375 P446 C448	H375-D377 PolarHBondContact O-N 3.41Å; D377-P446 PolarHBondContact N-O 3.05Å; D377-P446 WeakPolarHBondContact O-CB 3.34Å; D377-P446 WeakPolarHBondContact O-CD 3.24Å; D377-C448 HydrophobicContact CB-CB 3.94Å
378	M	98.4	Very high	98.6	Very high	96 Å²	96	49.4 Å²	49.4	47%	0.473	25%	0.247	S	C	.	.	S	Bend	trans	62.3	-172.5	179.4	-49.5	-173.6	-68.6	0	0	114	C228 Y232 P446	C228-M378 HydrophobicContact CB-CE 3.89Å; C228-M378 VanDerWaalsContact SG-CE 3.5Å; Y232-M378 HydrophobicContact CD2-CE 3.97Å; Y232-M378 HydrophobicContact CG-CE 4.23Å; M378-P446 HydrophobicContact CB-CB 4.47Å; M378-P446 HydrophobicContact CB-CG 4.21Å; M378-P446 HydrophobicContact CE-CB 3.37Å; M378-P446 HydrophobicContact CE-CG 3.89Å
379	E	98.5	Very high	98.6	Very high	116 Å²	116	51.4 Å²	51.4	54%	0.542	26%	0.259	S	S	.	.			trans	-82.1	130.1	179	-170	177.4	-172	0	0	111.3	S381 R417	E379-S381 PolarHBondContact O-N 3.4Å; E379-R417 IonicContact OE1-CZ 3Å; E379-R417 IonicContact OE1-NH1 3.51Å; E379-R417 PolarHBondContact OE1-NH1 3.13Å; E379-R417 IonicContact OE1-NH2 3.46Å
380	C	98.8	Very high	98.4	Very high	20 Å²	20	53.5 Å²	53.5	14%	0.135	28%	0.283	C	S	.	.			trans	-64.5	129	176.2	-170	0	0	0	0	111.7	N235 H382 Y383 R417 P445	N235-C380 PolarHBondContact ND2-O 3.17Å; C380-H382 PolarHBondContact SG-O 2.67Å; C380-Y383 PolarHBondContact O-OH 2.93Å; C380-R417 PolarHBondContact O-NE 3.4Å; C380-R417 PolarHBondContact O-NH2 3.16Å; C380-P445 HydrophobicContact CB-CB 4.24Å
381	S	98.8	Very high	98.3	Very high	1 Å²	1	61.3 Å²	61.3	1%	0.007	32%	0.317	C	S	.	.			trans	-119.5	-28.4	175.5	54.5	0	0	0	0	113.7	T233 N235 E379 Y383 C416 R417	T233-S381 WeakPolarHBondContact CG2-OG 3.31Å; T233-S381 PolarHBondContact N-OG 2.92Å; T233-S381 WeakPolarHBondContact O-CB 3.3Å; T233-S381 PolarHBondContact O-OG 3.44Å; N235-S381 WeakPolarHBondContact OD1-CB 3.47Å; E379-S381 PolarHBondContact O-N 3.4Å; S381-Y383 WeakPolarHBondContact O-CD2 3.23Å; S381-Y383 WeakPolarHBondContact O-CE2 3.2Å; S381-C416 WeakPolarHBondContact O-CA 3.28Å; S381-C416 VanDerWaalsContact O-CB 3.29Å; S381-C416 WeakPolarHBondContact O-CB 3.27Å; S381-R417 PolarHBondContact O-N 3.02Å
382	H	98.8	Very high	98.2	Very high	13 Å²	13	57.3 Å²	57.3	6%	0.06	30%	0.303	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.7	140.6	179.2	-67.8	68.7	0	0	0	112.1	P220 H231 T233 C380 Y444	P220-H382 WeakPolarHBondContact CB-NE2 3.38Å; H231-H382 PolarHBondContact O-CE1 2.99Å; H231-H382 VanDerWaalsContact O-CE1 3.28Å; H231-H382 PolarHBondContact O-ND1 3.37Å; T233-H382 VanDerWaalsContact CG2-CE1 3.47Å; T233-H382 WeakPolarHBondContact CG2-CE1 3.28Å; C380-H382 PolarHBondContact SG-O 2.67Å; H382-Y444 WeakPolarHBondContact CB-O 3.16Å; H382-Y444 PolarHBondContact O-N 2.97Å
383	Y	98.9	Very high	98	Very high	16 Å²	16	62.4 Å²	62.4	6%	0.063	34%	0.337	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-144.1	147.2	178.2	-62.5	-89.3	0	0	0	108.8	C380 S381 A414 F415 R417 L432 V441 D442 P443	C380-Y383 PolarHBondContact O-OH 2.93Å; S381-Y383 WeakPolarHBondContact O-CD2 3.23Å; S381-Y383 WeakPolarHBondContact O-CE2 3.2Å; Y383-A414 CarbonylContact O-C 3.56Å; Y383-A414 WeakPolarHBondContact O-CA 3.42Å; Y383-F415 VanDerWaalsContact CB-CZ 3.47Å; Y383-F415 HydrophobicContact CD2-CE2 4.43Å; Y383-F415 HydrophobicContact CG-CE2 4.26Å; Y383-F415 HydrophobicContact CG-CZ 4.39Å; Y383-F415 PolarHBondContact N-O 2.74Å; Y383-F415 WeakPolarHBondContact O-CD1 3.36Å; Y383-F415 PolarHBondContact O-N 3Å; Y383-F415 VanDerWaalsContact O-O 3.09Å; Y383-R417 HydrophobicContact CE2-CG 3.83Å; Y383-R417 PolarHBondContact OH-NE 3.29Å; Y383-R417 PolarHBondContact OH-NH2 2.97Å; Y383-L432 HydrophobicContact CD1-CD1 3.99Å; Y383-L432 HydrophobicContact CD1-CD2 4Å; Y383-L432 HydrophobicContact CD1-CG 4.02Å; Y383-L432 HydrophobicContact CD2-CD2 3.87Å; Y383-L432 HydrophobicContact CE1-CD1 4.38Å; Y383-L432 HydrophobicContact CE1-CD2 3.73Å; Y383-L432 HydrophobicContact CE1-CG 3.89Å; Y383-L432 HydrophobicContact CE2-CD2 3.62Å; Y383-L432 HydrophobicContact CG-CD1 4.19Å; Y383-L432 HydrophobicContact CG-CD2 4.07Å; Y383-L432 HydrophobicContact CG-CG 4.43Å; Y383-V441 HydrophobicContact CD1-CG1 4.18Å; Y383-V441 HydrophobicContact CG-CG1 4.46Å; Y383-D442 WeakPolarHBondContact CA-O 3.17Å; Y383-P443 HydrophobicContact CD1-CB 4.16Å; Y383-P443 HydrophobicContact CE1-CB 3.97Å
384	M	98.9	Very high	98	Very high	19 Å²	19	61.6 Å²	61.6	9%	0.094	33%	0.331	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-145.5	141.7	174.8	-171.8	167.2	57.7	0	0	109.6	I338 N386 T412 A414 V441 D442 Y444	I338-M384 HydrophobicContact CG2-CE 3.71Å; I338-M384 HydrophobicContact CG2-SD 3.58Å; I338-M384 VanDerWaalsContact CG2-SD 3.58Å; M384-N386 PolarHBondContact O-N 3.42Å; M384-T412 VanDerWaalsContact CG-O 3.29Å; M384-T412 WeakPolarHBondContact CG-O 3.49Å; M384-A414 HydrophobicContact CB-CB 4.05Å; M384-A414 HydrophobicContact CG-CB 4.13Å; M384-A414 HydrophobicContact SD-CB 3.93Å; M384-V441 CarbonylContact O-C 3.51Å; M384-V441 WeakPolarHBondContact O-CA 3.42Å; M384-D442 PolarHBondContact N-O 2.89Å; M384-D442 PolarHBondContact O-N 3.35Å; M384-Y444 HydrophobicContact CB-CD2 4.26Å; M384-Y444 HydrophobicContact CB-CE2 3.79Å; M384-Y444 HydrophobicContact CE-CE2 3.99Å; M384-Y444 WeakPolarHBondContact CE-OH 3.22Å
385	K	98.8	Very high	97.8	Very high	30 Å²	30	72.8 Å²	72.8	13%	0.13	37%	0.372	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-67.5	134	174	-168.5	-175.9	174.1	-173.5	0	109.1	F387 I406 N407 G411 I440	K385-F387 PolarHBondContact O-N 2.78Å; K385-F387 VanDerWaalsContact O-N 3.15Å; K385-I406 HydrophobicContact CB-CG2 4.46Å; K385-N407 PolarHBondContact NZ-OD1 3.49Å; K385-G411 WeakPolarHBondContact CB-O 3.38Å; K385-G411 WeakPolarHBondContact CD-O 3.33Å; K385-I440 WeakPolarHBondContact CA-O 3.4Å; K385-I440 HydrophobicContact CG-CG2 4.46Å; K385-I440 VanDerWaalsContact CG-O 3.28Å; K385-I440 WeakPolarHBondContact CG-O 3.41Å
386	N	98.6	Very high	97.8	Very high	45 Å²	45	73.2 Å²	73.2	24%	0.241	38%	0.377	C	S	.	.			trans	-62	119.3	174.1	-170.2	-60.2	0	0	0	109.2	M384 D388 V389 I440 D442	M384-N386 PolarHBondContact O-N 3.42Å; N386-D388 PolarHBondContact O-N 2.83Å; N386-D388 PolarHBondContact OD1-N 3Å; N386-V389 HydrophobicContact CB-CB 4.17Å; N386-V389 HydrophobicContact CB-CG2 3.78Å; N386-V389 PolarHBondContact O-N 3.46Å; N386-I440 PolarHBondContact N-O 2.99Å; N386-D442 WeakPolarHBondContact CB-OD2 3.43Å; N386-D442 PolarHBondContact ND2-OD2 3.38Å
387	F	98.1	Very high	97.8	Very high	89 Å²	89	73.1 Å²	73.1	39%	0.39	38%	0.382	S	S	.	.	T	Hydrogen-bonded Turn	trans	-61.2	-35	-173	-174.5	-85.3	0	0	0	112.5	R337 K385 V389 T412	R337-F387 HydrophobicContact CB-CD2 3.79Å; R337-F387 HydrophobicContact CB-CE2 3.8Å; R337-F387 HydrophobicContact CG-CB 4.46Å; R337-F387 HydrophobicContact CG-CD2 3.81Å; R337-F387 HydrophobicContact CG-CE2 4.21Å; R337-F387 HydrophobicContact CG-CG 4.08Å; K385-F387 PolarHBondContact O-N 2.78Å; K385-F387 VanDerWaalsContact O-N 3.15Å; F387-V389 VanDerWaalsContact C-N 3.32Å; F387-T412 HydrophobicContact CD2-CG2 3.78Å; F387-T412 HydrophobicContact CE2-CG2 4.39Å; F387-T412 HydrophobicContact CG-CG2 4.44Å
388	D	97.6	Very high	97.7	Very high	115 Å²	115	77.7 Å²	77.7	62%	0.615	39%	0.394	S	S	*	.	T	Hydrogen-bonded Turn	trans	-86.7	-7.3	-172.8	-57.3	-50.3	0	0	0	111.9	R337 N386 G390	R337-D388 IonicContact CZ-OD1 2.88Å; R337-D388 IonicContact CZ-OD2 3.49Å; R337-D388 IonicContact NH1-OD1 3.68Å; R337-D388 PolarHBondContact NH1-OD1 3.08Å; R337-D388 IonicContact NH1-OD2 3.59Å; R337-D388 IonicContact NH2-OD1 3.61Å; R337-D388 IonicContact NH2-OD2 2.72Å; R337-D388 PolarHBondContact NH2-OD2 2.97Å; R337-D388 VanDerWaalsContact NH2-OD2 3.07Å; N386-D388 PolarHBondContact O-N 2.83Å; N386-D388 PolarHBondContact OD1-N 3Å; D388-G390 PolarHBondContact O-N 3.13Å
389	V	97.3	Very high	97.8	Very high	42 Å²	42	73.2 Å²	73.2	26%	0.255	37%	0.372	S	S	.	.			trans	-84.8	114.7	175.8	175.8	0	0	0	0	111.1	N386 F387 V392 I440	N386-V389 HydrophobicContact CB-CB 4.17Å; N386-V389 HydrophobicContact CB-CG2 3.78Å; N386-V389 PolarHBondContact O-N 3.46Å; F387-V389 VanDerWaalsContact C-N 3.32Å; V389-V392 HydrophobicContact CG1-CG2 3.9Å; V389-I440 HydrophobicContact CG1-CG1 4.35Å
390	G	95.9	Very high	97.8	Very high	54 Å²	54	73 Å²	73	56%	0.557	37%	0.369	S	S	*	.			trans	-71.7	-158.8	175.9	0	0	0	0	0	114.6	D388 V392	D388-G390 PolarHBondContact O-N 3.13Å; G390-V392 PolarHBondContact O-N 3.41Å
391	H	96.4	Very high	97.8	Very high	170 Å²	170	76.3 Å²	76.3	79%	0.787	38%	0.382	S	S	*	.			trans	-68.3	125.6	178.5	178.4	74.3	0	0	0	111.9
392	V	96.3	Very high	97.8	Very high	52 Å²	52	76.3 Å²	76.3	32%	0.315	38%	0.382	S	S	.	.			trans	-118	119.5	175.3	-176.3	0	0	0	0	110	V389 G390 I394 I440	V389-V392 HydrophobicContact CG1-CG2 3.9Å; G390-V392 PolarHBondContact O-N 3.41Å; V392-I394 PolarHBondContact O-N 2.93Å; V392-I440 HydrophobicContact CB-CD1 3.86Å; V392-I440 HydrophobicContact CB-CG1 4.45Å; V392-I440 HydrophobicContact CG1-CD1 3.94Å; V392-I440 HydrophobicContact CG2-CD1 4.14Å; V392-I440 HydrophobicContact CG2-CG1 4.17Å
393	P	95.6	Very high	97.8	Very high	109 Å²	109	76.2 Å²	76.2	71%	0.708	38%	0.382	S	S	*	.			trans	-75.3	111.4	179.9	28.5	-33.2	0	0	0	111.6
394	I	96.8	Very high	97.8	Very high	21 Å²	21	78.6 Å²	78.6	11%	0.108	40%	0.396	C	S	.	.			trans	-100.2	129.2	179.1	-57.4	-170.8	0	0	0	111.2	V392 L396 T399 K400 L403 L435 L438 I440	V392-I394 PolarHBondContact O-N 2.93Å; I394-L396 HydrophobicContact CG2-CB 4.25Å; I394-T399 HydrophobicContact CD1-CG2 3.78Å; I394-T399 HydrophobicContact CG2-CG2 3.9Å; I394-K400 HydrophobicContact CB-CB 4.09Å; I394-K400 HydrophobicContact CG2-CB 4Å; I394-K400 WeakPolarHBondContact O-CD 3.48Å; I394-L403 HydrophobicContact CD1-CB 4.33Å; I394-L403 HydrophobicContact CD1-CD2 3.53Å; I394-L403 HydrophobicContact CG1-CD2 4.16Å; I394-L435 HydrophobicContact CD1-CD2 3.52Å; I394-L438 HydrophobicContact CD1-CD1 4.45Å; I394-I440 HydrophobicContact CD1-CD1 3.86Å
395	R	96.5	Very high	97.8	Very high	242 Å²	242	78.2 Å²	78.2	91%	0.913	40%	0.395	S	S	*	.			trans	-92.5	-29	176.6	-64.1	-177.4	-176.9	178.5	1.3	113.8	P397	R395-P397 WeakPolarHBondContact O-CD 3.41Å
396	L	97.8	Very high	97.8	Very high	102 Å²	102	76.8 Å²	76.8	53%	0.534	39%	0.389	S	S	.	.	S	Bend	trans	-66.1	116.2	179.9	-67.9	174.4	0	0	0	109.7	I394 R398 T399 K400	I394-L396 HydrophobicContact CG2-CB 4.25Å; L396-R398 PolarHBondContact O-N 3.36Å; L396-T399 PolarHBondContact O-N 3.44Å; L396-K400 WeakPolarHBondContact O-CB 3.23Å; L396-K400 PolarHBondContact O-N 3Å
397	P	98	Very high	97.8	Very high	106 Å²	106	77.1 Å²	77.1	69%	0.688	39%	0.391	S	S	*	.	H	α-helix	trans	-57.9	-45.2	-167.1	-28.7	35.4	0	0	0	114.5	R395 K400 H401	R395-P397 WeakPolarHBondContact O-CD 3.41Å; P397-K400 PolarHBondContact O-N 3.13Å; P397-H401 VanDerWaalsContact O-CB 3.31Å; P397-H401 WeakPolarHBondContact O-CB 3.29Å; P397-H401 PolarHBondContact O-N 2.82Å
398	R	98.1	Very high	97.8	Very high	173 Å²	173	79.3 Å²	79.3	65%	0.653	40%	0.402	S	S	*	.	H	α-helix	trans	-68.8	-40.2	179.8	-69.4	-173.2	178	166.5	2.7	112.9	L396 H401 L402 A431	L396-R398 PolarHBondContact O-N 3.36Å; R398-H401 PolarHBondContact O-N 2.86Å; R398-L402 WeakPolarHBondContact O-CB 3.25Å; R398-L402 PolarHBondContact O-N 2.95Å; R398-A431 HydrophobicContact CB-CB 4.14Å
399	T	98.6	Very high	97.9	Very high	3 Å²	3	76.9 Å²	76.9	2%	0.018	39%	0.389	C	S	.	.	H	α-helix	trans	-67.6	-39.9	176.9	-54.9	0	0	0	0	111.1	I394 L396 L403 N434 L435	I394-T399 HydrophobicContact CD1-CG2 3.78Å; I394-T399 HydrophobicContact CG2-CG2 3.9Å; L396-T399 PolarHBondContact O-N 3.44Å; T399-L403 WeakPolarHBondContact O-CB 3.41Å; T399-L403 PolarHBondContact O-N 2.94Å; T399-N434 HydrophobicContact CG2-CB 3.91Å; T399-N434 PolarHBondContact OG1-ND2 2.83Å; T399-L435 HydrophobicContact CG2-CD2 3.51Å; T399-L435 HydrophobicContact CG2-CG 3.86Å
400	K	98.7	Very high	97.9	Very high	110 Å²	110	75.7 Å²	75.7	48%	0.478	38%	0.38	S	S	.	.	H	α-helix	trans	-62.6	-48.4	173.5	-175	-173.3	-178.3	178.3	0	111.4	I394 L396 P397 L403 N404	I394-K400 HydrophobicContact CB-CB 4.09Å; I394-K400 HydrophobicContact CG2-CB 4Å; I394-K400 WeakPolarHBondContact O-CD 3.48Å; L396-K400 WeakPolarHBondContact O-CB 3.23Å; L396-K400 PolarHBondContact O-N 3Å; P397-K400 PolarHBondContact O-N 3.13Å; K400-L403 PolarHBondContact O-N 3.43Å; K400-N404 PolarHBondContact O-N 3.36Å; K400-N404 PolarHBondContact O-OD1 2.79Å
401	H	98.8	Very high	98.1	Very high	90 Å²	90	73.9 Å²	73.9	42%	0.417	36%	0.362	S	S	.	.	H	α-helix	trans	-56.2	-52.2	177.1	177.3	73	0	0	0	111.1	P397 R398 L403 N404 V405 E425	P397-H401 VanDerWaalsContact O-CB 3.31Å; P397-H401 WeakPolarHBondContact O-CB 3.29Å; P397-H401 PolarHBondContact O-N 2.82Å; R398-H401 PolarHBondContact O-N 2.86Å; H401-L403 VanDerWaalsContact C-N 3.33Å; H401-L403 PolarHBondContact O-N 3.06Å; H401-N404 WeakPolarHBondContact O-CB 3.23Å; H401-N404 PolarHBondContact O-N 3.32Å; H401-N404 VanDerWaalsContact O-N 3.08Å; H401-V405 WeakPolarHBondContact O-CG2 3.45Å; H401-V405 PolarHBondContact O-N 2.53Å; H401-E425 IonicContact CD2-OE1 3.42Å; H401-E425 IonicContact CD2-OE2 2.78Å; H401-E425 PolarHBondContact CD2-OE2 3.39Å; H401-E425 VanDerWaalsContact CD2-OE2 3.31Å; H401-E425 IonicContact CE1-OE1 3.68Å; H401-E425 VanDerWaalsContact NE2-CD 3.33Å; H401-E425 IonicContact NE2-OE1 2.81Å; H401-E425 PolarHBondContact NE2-OE1 2.78Å; H401-E425 IonicContact NE2-OE2 2.82Å; H401-E425 PolarHBondContact NE2-OE2 3.27Å
402	L	98.9	Very high	98.2	Very high	1 Å²	1	67.2 Å²	67.2	1%	0.005	33%	0.333	C	S	.	.	H	α-helix	trans	-61.8	-39.8	-179.6	-175.4	65	0	0	0	112.5	R398 N404 V405 I406 L420 A431 L432 L435	R398-L402 WeakPolarHBondContact O-CB 3.25Å; R398-L402 PolarHBondContact O-N 2.95Å; L402-N404 VanDerWaalsContact C-N 3.31Å; L402-N404 PolarHBondContact O-N 3.5Å; L402-V405 PolarHBondContact O-N 3.15Å; L402-I406 HydrophobicContact CG-CD1 4.07Å; L402-I406 VanDerWaalsContact O-CG1 3.31Å; L402-I406 WeakPolarHBondContact O-CG1 3.48Å; L402-I406 PolarHBondContact O-N 2.69Å; L402-L420 HydrophobicContact CD1-CD1 4.04Å; L402-L420 HydrophobicContact CD1-CD2 3.9Å; L402-A431 HydrophobicContact CB-CB 4.28Å; L402-A431 HydrophobicContact CD2-CB 3.86Å; L402-L432 HydrophobicContact CD2-CB 3.75Å; L402-L432 HydrophobicContact CD2-CD1 4.25Å; L402-L432 VanDerWaalsContact CD2-N 3.33Å; L402-L435 HydrophobicContact CB-CD1 4.47Å; L402-L435 HydrophobicContact CD2-CD1 4.02Å; L402-L435 HydrophobicContact CG-CD1 4.15Å
403	L	98.8	Very high	98.3	Very high	11 Å²	11	65 Å²	65	6%	0.058	32%	0.319	C	S	.	.	H	α-helix	trans	-63.3	-37.7	175.2	-179.3	57.7	0	0	0	112.1	I394 T399 K400 H401 I406 N407 L435 I440	I394-L403 HydrophobicContact CD1-CB 4.33Å; I394-L403 HydrophobicContact CD1-CD2 3.53Å; I394-L403 HydrophobicContact CG1-CD2 4.16Å; T399-L403 WeakPolarHBondContact O-CB 3.41Å; T399-L403 PolarHBondContact O-N 2.94Å; K400-L403 PolarHBondContact O-N 3.43Å; H401-L403 VanDerWaalsContact C-N 3.33Å; H401-L403 PolarHBondContact O-N 3.06Å; L403-I406 PolarHBondContact O-N 3.06Å; L403-N407 WeakPolarHBondContact O-CB 3.43Å; L403-N407 PolarHBondContact O-N 3.41Å; L403-N407 PolarHBondContact O-ND2 3.26Å; L403-L435 HydrophobicContact CB-CD1 4.27Å; L403-L435 HydrophobicContact CB-CD2 3.99Å; L403-L435 HydrophobicContact CD1-CD2 4.41Å; L403-L435 HydrophobicContact CD2-CD2 4.37Å; L403-L435 HydrophobicContact CG-CD2 4.48Å; L403-I440 HydrophobicContact CD1-CG2 3.75Å; L403-I440 HydrophobicContact CD2-CD1 4.45Å; L403-I440 HydrophobicContact CD2-CG2 4.38Å
404	N	98.8	Very high	98.5	Very high	66 Å²	66	60.4 Å²	60.4	35%	0.353	29%	0.29	S	S	.	.	H	α-helix	trans	-62.9	-46.6	174.4	-70.1	-6.6	0	0	0	110.9	K400 H401 L402 I406 N407 E408	K400-N404 PolarHBondContact O-N 3.36Å; K400-N404 PolarHBondContact O-OD1 2.79Å; H401-N404 WeakPolarHBondContact O-CB 3.23Å; H401-N404 PolarHBondContact O-N 3.32Å; H401-N404 VanDerWaalsContact O-N 3.08Å; L402-N404 VanDerWaalsContact C-N 3.31Å; L402-N404 PolarHBondContact O-N 3.5Å; N404-I406 VanDerWaalsContact C-N 3.29Å; N404-I406 PolarHBondContact O-N 3.42Å; N404-N407 PolarHBondContact O-N 2.84Å; N404-N407 VanDerWaalsContact O-N 3.16Å; N404-E408 WeakPolarHBondContact O-CB 3.45Å; N404-E408 VanDerWaalsContact O-CG 3.3Å; N404-E408 WeakPolarHBondContact O-CG 3.29Å; N404-E408 PolarHBondContact O-N 3.4Å
405	V	98.9	Very high	98.6	Very high	11 Å²	11	59.4 Å²	59.4	7%	0.067	29%	0.285	C	S	.	.	H	α-helix	trans	-55.5	-45.9	175	173.7	0	0	0	0	110.9	H401 L402 E408 N409 L420 L423 E425	H401-V405 WeakPolarHBondContact O-CG2 3.45Å; H401-V405 PolarHBondContact O-N 2.53Å; L402-V405 PolarHBondContact O-N 3.15Å; V405-E408 PolarHBondContact O-N 2.84Å; V405-N409 WeakPolarHBondContact O-CB 3.4Å; V405-N409 PolarHBondContact O-N 3.47Å; V405-N409 PolarHBondContact O-ND2 2.82Å; V405-L420 HydrophobicContact CG1-CD2 4.24Å; V405-L423 HydrophobicContact CG1-CD1 3.99Å; V405-E425 HydrophobicContact CG1-CG 4.22Å; V405-E425 HydrophobicContact CG2-CG 4.47Å; V405-E425 WeakPolarHBondContact CG2-OE1 3.47Å
406	I	98.9	Very high	98.7	Very high	0 Å²	0	47.9 Å²	47.9	0%	0	24%	0.241	C	C	.	.	H	α-helix	trans	-61.6	-47.3	177.8	-69.1	163.8	0	0	0	111.2	K385 L402 L403 N404 E408 F410 G411 F415 L435 V441	K385-I406 HydrophobicContact CB-CG2 4.46Å; L402-I406 HydrophobicContact CG-CD1 4.07Å; L402-I406 VanDerWaalsContact O-CG1 3.31Å; L402-I406 WeakPolarHBondContact O-CG1 3.48Å; L402-I406 PolarHBondContact O-N 2.69Å; L403-I406 PolarHBondContact O-N 3.06Å; N404-I406 VanDerWaalsContact C-N 3.29Å; N404-I406 PolarHBondContact O-N 3.42Å; I406-E408 VanDerWaalsContact C-N 3.34Å; I406-E408 PolarHBondContact O-N 3.48Å; I406-F410 HydrophobicContact CB-CD2 4.46Å; I406-F410 HydrophobicContact CG1-CD2 4.39Å; I406-F410 HydrophobicContact CG2-CD2 4.48Å; I406-F410 WeakPolarHBondContact O-CA 3.46Å; I406-F410 PolarHBondContact O-N 3.08Å; I406-G411 PolarHBondContact O-N 3.4Å; I406-F415 HydrophobicContact CD1-CE1 4.06Å; I406-F415 HydrophobicContact CD1-CE2 4.29Å; I406-F415 HydrophobicContact CD1-CZ 3.54Å; I406-F415 HydrophobicContact CG1-CE1 3.97Å; I406-F415 HydrophobicContact CG1-CE2 4.29Å; I406-F415 HydrophobicContact CG1-CZ 3.74Å; I406-F415 HydrophobicContact CG2-CD1 4.45Å; I406-F415 HydrophobicContact CG2-CE1 3.84Å; I406-F415 HydrophobicContact CG2-CZ 4.43Å; I406-L435 HydrophobicContact CD1-CD1 3.63Å; I406-V441 HydrophobicContact CD1-CG2 4.1Å
407	N	98.8	Very high	98.7	Very high	53 Å²	53	44.3 Å²	44.3	28%	0.283	22%	0.221	S	C	.	.	H	α-helix	trans	-63.5	-39.1	179.9	-69.2	-38.1	0	0	0	112.6	K385 L403 N404	K385-N407 PolarHBondContact NZ-OD1 3.49Å; L403-N407 WeakPolarHBondContact O-CB 3.43Å; L403-N407 PolarHBondContact O-N 3.41Å; L403-N407 PolarHBondContact O-ND2 3.26Å; N404-N407 PolarHBondContact O-N 2.84Å; N404-N407 VanDerWaalsContact O-N 3.16Å
408	E	98.8	Very high	98.8	Very high	135 Å²	135	40.1 Å²	40.1	63%	0.631	19%	0.192	S	C	*	.	H	α-helix	trans	-74.5	-36.8	-177	-72.6	167.9	-161.9	0	0	112.6	N404 V405 I406	N404-E408 WeakPolarHBondContact O-CB 3.45Å; N404-E408 VanDerWaalsContact O-CG 3.3Å; N404-E408 WeakPolarHBondContact O-CG 3.29Å; N404-E408 PolarHBondContact O-N 3.4Å; V405-E408 PolarHBondContact O-N 2.84Å; I406-E408 VanDerWaalsContact C-N 3.34Å; I406-E408 PolarHBondContact O-N 3.48Å
409	N	98.9	Very high	98.8	Very high	63 Å²	63	32.3 Å²	32.3	34%	0.337	16%	0.162	S	C	.	.	H	α-helix	trans	-102.2	-30.2	-171.4	-66.7	-88.7	0	0	0	113.9	L213 V405 L423	L213-N409 WeakPolarHBondContact CD2-O 3.15Å; V405-N409 WeakPolarHBondContact O-CB 3.4Å; V405-N409 PolarHBondContact O-N 3.47Å; V405-N409 PolarHBondContact O-ND2 2.82Å; N409-L423 HydrophobicContact CB-CD1 4.06Å
410	F	98.8	Very high	98.8	Very high	18 Å²	18	32.2 Å²	32.2	8%	0.079	16%	0.161	C	C	.	.	T	Hydrogen-bonded Turn	trans	-123.2	-29.3	-173.4	-46.4	-57.6	0	0	0	112.5	I406 T412 L413 F415 W419 L420 L423	I406-F410 HydrophobicContact CB-CD2 4.46Å; I406-F410 HydrophobicContact CG1-CD2 4.39Å; I406-F410 HydrophobicContact CG2-CD2 4.48Å; I406-F410 WeakPolarHBondContact O-CA 3.46Å; I406-F410 PolarHBondContact O-N 3.08Å; F410-T412 PolarHBondContact O-N 2.85Å; F410-L413 VanDerWaalsContact O-CB 3.28Å; F410-L413 WeakPolarHBondContact O-CB 3.44Å; F410-L413 PolarHBondContact O-N 3.36Å; F410-F415 HydrophobicContact CB-CB 4.43Å; F410-F415 HydrophobicContact CB-CD1 4.22Å; F410-F415 HydrophobicContact CD1-CB 3.8Å; F410-F415 HydrophobicContact CD2-CB 3.6Å; F410-F415 AromaticContact CD2-CD1 3.67Å; F410-F415 HydrophobicContact CD2-CD1 3.67Å; F410-F415 HydrophobicContact CD2-CD2 4.21Å; F410-F415 HydrophobicContact CD2-CE1 4.41Å; F410-F415 AromaticContact CD2-CG 3.56Å; F410-F415 HydrophobicContact CD2-CG 3.56Å; F410-F415 HydrophobicContact CE1-CB 3.9Å; F410-F415 HydrophobicContact CE2-CB 3.72Å; F410-F415 HydrophobicContact CE2-CD1 4.33Å; F410-F415 HydrophobicContact CE2-CD2 4.05Å; F410-F415 AromaticContact CE2-CG 3.78Å; F410-F415 HydrophobicContact CE2-CG 3.78Å; F410-F415 HydrophobicContact CG-CB 3.67Å; F410-F415 HydrophobicContact CG-CD1 4.06Å; F410-F415 HydrophobicContact CG-CG 4.05Å; F410-F415 HydrophobicContact CZ-CB 3.87Å; F410-F415 HydrophobicContact CZ-CG 4.41Å; F410-W419 HydrophobicContact CD1-CE3 4.37Å; F410-W419 HydrophobicContact CE1-CB 4.26Å; F410-W419 AromaticContact CE1-CE3 3.89Å; F410-W419 HydrophobicContact CE1-CE3 3.89Å; F410-W419 HydrophobicContact CZ-CB 4.02Å; F410-L420 HydrophobicContact CE2-CD2 3.92Å; F410-L423 HydrophobicContact CE2-CD1 4.46Å; F410-L423 HydrophobicContact CZ-CD1 3.96Å
411	G	98.6	Very high	98.8	Very high	16 Å²	16	29.6 Å²	29.6	17%	0.165	15%	0.153	C	C	.	.	T	Hydrogen-bonded Turn	trans	60.9	-108.7	-174.2	0	0	0	0	0	110.4	K385 I406	K385-G411 WeakPolarHBondContact CB-O 3.38Å; K385-G411 WeakPolarHBondContact CD-O 3.33Å; I406-G411 PolarHBondContact O-N 3.4Å
412	T	98.9	Very high	98.8	Very high	29 Å²	29	31.3 Å²	31.3	18%	0.178	16%	0.155	C	C	.	.	T	Hydrogen-bonded Turn	trans	-108.6	1.7	174.6	52.7	0	0	0	0	113.8	Y336 M384 F387 F410	Y336-T412 WeakPolarHBondContact CB-OG1 3.3Å; Y336-T412 PolarHBondContact O-OG1 3.17Å; M384-T412 VanDerWaalsContact CG-O 3.29Å; M384-T412 WeakPolarHBondContact CG-O 3.49Å; F387-T412 HydrophobicContact CD2-CG2 3.78Å; F387-T412 HydrophobicContact CE2-CG2 4.39Å; F387-T412 HydrophobicContact CG-CG2 4.44Å; F410-T412 PolarHBondContact O-N 2.85Å
413	L	98.9	Very high	98.8	Very high	7 Å²	7	34.1 Å²	34.1	4%	0.037	17%	0.17	C	C	.	.	S	Bend	trans	-70	152.4	171.4	-62.7	173.3	0	0	0	110.6	H255 I260 Y336 F410	H255-L413 VanDerWaalsContact NE2-CD1 3.27Å; H255-L413 WeakPolarHBondContact NE2-CD1 3.45Å; I260-L413 HydrophobicContact CD1-CD2 3.73Å; I260-L413 HydrophobicContact CG1-CD2 4.21Å; Y336-L413 HydrophobicContact CD1-CD1 4.12Å; Y336-L413 HydrophobicContact CD1-CD2 4.26Å; Y336-L413 HydrophobicContact CD1-CG 4.13Å; F410-L413 VanDerWaalsContact O-CB 3.28Å; F410-L413 WeakPolarHBondContact O-CB 3.44Å; F410-L413 PolarHBondContact O-N 3.36Å
414	A	98.9	Very high	98.8	Very high	11 Å²	11	36.6 Å²	36.6	9%	0.091	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-72.3	151.7	176.1	0	0	0	0	0	110.7	F219 Y383 M384 W419	F219-A414 HydrophobicContact CB-CB 3.83Å; Y383-A414 CarbonylContact O-C 3.56Å; Y383-A414 WeakPolarHBondContact O-CA 3.42Å; M384-A414 HydrophobicContact CB-CB 4.05Å; M384-A414 HydrophobicContact CG-CB 4.13Å; M384-A414 HydrophobicContact SD-CB 3.93Å; A414-W419 WeakPolarHBondContact O-CZ3 3.27Å
415	F	98.9	Very high	98.8	Very high	0 Å²	0	35.1 Å²	35.1	0%	0	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.1	169.5	177.5	65	-87.3	0	0	0	111	Y383 I406 F410 W419 L420 L432 V441	Y383-F415 VanDerWaalsContact CB-CZ 3.47Å; Y383-F415 HydrophobicContact CD2-CE2 4.43Å; Y383-F415 HydrophobicContact CG-CE2 4.26Å; Y383-F415 HydrophobicContact CG-CZ 4.39Å; Y383-F415 PolarHBondContact N-O 2.74Å; Y383-F415 WeakPolarHBondContact O-CD1 3.36Å; Y383-F415 PolarHBondContact O-N 3Å; Y383-F415 VanDerWaalsContact O-O 3.09Å; I406-F415 HydrophobicContact CD1-CE1 4.06Å; I406-F415 HydrophobicContact CD1-CE2 4.29Å; I406-F415 HydrophobicContact CD1-CZ 3.54Å; I406-F415 HydrophobicContact CG1-CE1 3.97Å; I406-F415 HydrophobicContact CG1-CE2 4.29Å; I406-F415 HydrophobicContact CG1-CZ 3.74Å; I406-F415 HydrophobicContact CG2-CD1 4.45Å; I406-F415 HydrophobicContact CG2-CE1 3.84Å; I406-F415 HydrophobicContact CG2-CZ 4.43Å; F410-F415 HydrophobicContact CB-CB 4.43Å; F410-F415 HydrophobicContact CB-CD1 4.22Å; F410-F415 HydrophobicContact CD1-CB 3.8Å; F410-F415 HydrophobicContact CD2-CB 3.6Å; F410-F415 AromaticContact CD2-CD1 3.67Å; F410-F415 HydrophobicContact CD2-CD1 3.67Å; F410-F415 HydrophobicContact CD2-CD2 4.21Å; F410-F415 HydrophobicContact CD2-CE1 4.41Å; F410-F415 AromaticContact CD2-CG 3.56Å; F410-F415 HydrophobicContact CD2-CG 3.56Å; F410-F415 HydrophobicContact CE1-CB 3.9Å; F410-F415 HydrophobicContact CE2-CB 3.72Å; F410-F415 HydrophobicContact CE2-CD1 4.33Å; F410-F415 HydrophobicContact CE2-CD2 4.05Å; F410-F415 AromaticContact CE2-CG 3.78Å; F410-F415 HydrophobicContact CE2-CG 3.78Å; F410-F415 HydrophobicContact CG-CB 3.67Å; F410-F415 HydrophobicContact CG-CD1 4.06Å; F410-F415 HydrophobicContact CG-CG 4.05Å; F410-F415 HydrophobicContact CZ-CB 3.87Å; F410-F415 HydrophobicContact CZ-CG 4.41Å; F415-W419 HydrophobicContact CB-CE3 3.85Å; F415-W419 HydrophobicContact CB-CZ3 4.42Å; F415-L420 HydrophobicContact CD2-CD1 4.35Å; F415-L420 HydrophobicContact CD2-CD2 4.43Å; F415-L420 HydrophobicContact CD2-CG 4.23Å; F415-L420 HydrophobicContact CE2-CD1 3.97Å; F415-L420 HydrophobicContact CE2-CD2 4.44Å; F415-L420 HydrophobicContact CE2-CG 4.3Å; F415-L432 HydrophobicContact CE2-CD1 4.23Å; F415-L432 HydrophobicContact CZ-CD1 4.13Å; F415-V441 HydrophobicContact CE1-CG1 4.4Å; F415-V441 HydrophobicContact CZ-CG1 4.12Å
416	C	98.9	Very high	98.8	Very high	0 Å²	0	38.7 Å²	38.7	0%	0	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.5	170.1	174.4	70.7	0	0	0	0	112.4	P220 T233 S381 R418 W419 L420	P220-C416 HydrophobicContact CB-CB 3.78Å; P220-C416 HydrophobicContact CG-CB 3.59Å; T233-C416 HydrophobicContact CG2-CB 3.83Å; S381-C416 WeakPolarHBondContact O-CA 3.28Å; S381-C416 VanDerWaalsContact O-CB 3.29Å; S381-C416 WeakPolarHBondContact O-CB 3.27Å; C416-R418 PolarHBondContact O-N 3Å; C416-W419 WeakPolarHBondContact O-CB 3.24Å; C416-W419 PolarHBondContact O-N 3.22Å; C416-W419 VanDerWaalsContact O-N 3.08Å; C416-W419 VanDerWaalsContact SG-CD1 3.53Å; C416-W419 VanDerWaalsContact SG-CG 3.59Å; C416-L420 PolarHBondContact O-N 3.49Å
417	R	98.9	Very high	98.7	Very high	28 Å²	28	46.8 Å²	46.8	11%	0.106	25%	0.25	C	C	.	.	H	α-helix	trans	-59.6	-41.7	179.2	-60.5	-165.3	-173.5	170	11.3	113.1	N235 E379 C380 S381 Y383 W419 L420 D421 Y428	N235-R417 WeakPolarHBondContact OD1-CB 3.38Å; N235-R417 WeakPolarHBondContact OD1-CD 3.21Å; N235-R417 WeakPolarHBondContact OD1-CG 3.5Å; E379-R417 IonicContact OE1-CZ 3Å; E379-R417 IonicContact OE1-NH1 3.51Å; E379-R417 PolarHBondContact OE1-NH1 3.13Å; E379-R417 IonicContact OE1-NH2 3.46Å; C380-R417 PolarHBondContact O-NE 3.4Å; C380-R417 PolarHBondContact O-NH2 3.16Å; S381-R417 PolarHBondContact O-N 3.02Å; Y383-R417 HydrophobicContact CE2-CG 3.83Å; Y383-R417 PolarHBondContact OH-NE 3.29Å; Y383-R417 PolarHBondContact OH-NH2 2.97Å; R417-W419 PolarHBondContact O-N 3.42Å; R417-W419 VanDerWaalsContact O-N 3.16Å; R417-L420 WeakPolarHBondContact O-CA 3.46Å; R417-L420 WeakPolarHBondContact O-CB 3.3Å; R417-L420 PolarHBondContact O-N 3.16Å; R417-D421 VanDerWaalsContact O-CG 3.26Å; R417-D421 PolarHBondContact O-N 2.85Å; R417-Y428 HydrophobicContact CB-CE2 4.45Å; R417-Y428 WeakPolarHBondContact CB-OH 3.49Å; R417-Y428 HydrophobicContact CG-CE2 4.41Å; R417-Y428 PolarHBondContact O-OH 2.98Å
418	R	98.9	Very high	98.7	Very high	18 Å²	18	45 Å²	45	7%	0.068	24%	0.239	C	C	.	.	H	α-helix	trans	-56.6	-33.4	175.1	-69.7	-175.5	-66.1	103.2	3	112.4	E201 T233 P234 C416 D421 R422	E201-R418 IonicContact OE1-CZ 2.68Å; E201-R418 VanDerWaalsContact OE1-CZ 3.3Å; E201-R418 IonicContact OE1-NH1 2.77Å; E201-R418 PolarHBondContact OE1-NH1 2.61Å; E201-R418 IonicContact OE1-NH2 2.65Å; E201-R418 PolarHBondContact OE1-NH2 3.17Å; E201-R418 IonicContact OE2-NH1 3.3Å; E201-R418 PolarHBondContact OE2-NH1 3.17Å; T233-R418 PolarHBondContact OG1-NH2 2.96Å; P234-R418 WeakPolarHBondContact O-CD 3.18Å; P234-R418 WeakPolarHBondContact O-CG 3.33Å; P234-R418 PolarHBondContact O-NE 3.18Å; C416-R418 PolarHBondContact O-N 3Å; R418-D421 PolarHBondContact O-N 2.76Å; R418-R422 PolarHBondContact O-N 3.41Å
419	W	98.9	Very high	98.7	Very high	9 Å²	9	42.9 Å²	42.9	3%	0.034	23%	0.231	C	C	.	.	H	α-helix	trans	-75.8	-24.5	177.7	-65.4	-1.2	0	0	0	113.5	E201 L217 F219 P220 F410 A414 F415 C416 R417 R422 L423	E201-W419 VanDerWaalsContact CD-NE1 3.35Å; E201-W419 PolarHBondContact OE1-NE1 3.01Å; E201-W419 PolarHBondContact OE2-NE1 3.35Å; L217-W419 HydrophobicContact CB-CH2 3.62Å; L217-W419 HydrophobicContact CB-CZ2 3.97Å; L217-W419 HydrophobicContact CD1-CH2 4.16Å; L217-W419 HydrophobicContact CD1-CZ2 3.6Å; L217-W419 HydrophobicContact CG-CZ2 4.44Å; F219-W419 WeakPolarHBondContact O-CH2 3.37Å; P220-W419 VanDerWaalsContact CA-CZ2 3.5Å; P220-W419 HydrophobicContact CB-CH2 4.33Å; P220-W419 HydrophobicContact CB-CZ2 4.17Å; P220-W419 HydrophobicContact CG-CE3 4.43Å; P220-W419 HydrophobicContact CG-CH2 4.19Å; P220-W419 HydrophobicContact CG-CZ2 4.45Å; P220-W419 HydrophobicContact CG-CZ3 4.16Å; F410-W419 HydrophobicContact CD1-CE3 4.37Å; F410-W419 HydrophobicContact CE1-CB 4.26Å; F410-W419 AromaticContact CE1-CE3 3.89Å; F410-W419 HydrophobicContact CE1-CE3 3.89Å; F410-W419 HydrophobicContact CZ-CB 4.02Å; A414-W419 WeakPolarHBondContact O-CZ3 3.27Å; F415-W419 HydrophobicContact CB-CE3 3.85Å; F415-W419 HydrophobicContact CB-CZ3 4.42Å; C416-W419 WeakPolarHBondContact O-CB 3.24Å; C416-W419 PolarHBondContact O-N 3.22Å; C416-W419 VanDerWaalsContact O-N 3.08Å; C416-W419 VanDerWaalsContact SG-CD1 3.53Å; C416-W419 VanDerWaalsContact SG-CG 3.59Å; R417-W419 PolarHBondContact O-N 3.42Å; R417-W419 VanDerWaalsContact O-N 3.16Å; W419-R422 WeakPolarHBondContact O-CG 3.37Å; W419-L423 WeakPolarHBondContact O-CD1 3.41Å; W419-L423 VanDerWaalsContact O-CG 3.3Å; W419-L423 WeakPolarHBondContact O-CG 3.47Å
420	L	98.9	Very high	98.7	Very high	0 Å²	0	46 Å²	46	0%	0	25%	0.246	C	C	.	.	H	α-helix	trans	-73.2	-42.8	165.9	-63.8	174.3	0	0	0	110.3	L402 V405 F410 F415 C416 R417 R422 L423 E425 Y428 L432	L402-L420 HydrophobicContact CD1-CD1 4.04Å; L402-L420 HydrophobicContact CD1-CD2 3.9Å; V405-L420 HydrophobicContact CG1-CD2 4.24Å; F410-L420 HydrophobicContact CE2-CD2 3.92Å; F415-L420 HydrophobicContact CD2-CD1 4.35Å; F415-L420 HydrophobicContact CD2-CD2 4.43Å; F415-L420 HydrophobicContact CD2-CG 4.23Å; F415-L420 HydrophobicContact CE2-CD1 3.97Å; F415-L420 HydrophobicContact CE2-CD2 4.44Å; F415-L420 HydrophobicContact CE2-CG 4.3Å; C416-L420 PolarHBondContact O-N 3.49Å; R417-L420 WeakPolarHBondContact O-CA 3.46Å; R417-L420 WeakPolarHBondContact O-CB 3.3Å; R417-L420 PolarHBondContact O-N 3.16Å; L420-R422 PolarHBondContact O-N 2.72Å; L420-L423 WeakPolarHBondContact O-CB 3.32Å; L420-L423 PolarHBondContact O-N 3.43Å; L420-L423 VanDerWaalsContact O-N 3.08Å; L420-E425 HydrophobicContact CB-CB 4.15Å; L420-E425 WeakPolarHBondContact O-CB 3.44Å; L420-E425 PolarHBondContact O-N 3.44Å; L420-Y428 HydrophobicContact CB-CD1 4.4Å; L420-Y428 HydrophobicContact CB-CE1 3.96Å; L420-Y428 HydrophobicContact CB-CE2 4.27Å; L420-Y428 HydrophobicContact CD1-CD2 3.72Å; L420-Y428 HydrophobicContact CD1-CE2 3.64Å; L420-Y428 HydrophobicContact CD1-CG 4.3Å; L420-L432 HydrophobicContact CD1-CD2 4.44Å
421	D	98.8	Very high	98.7	Very high	56 Å²	56	45.4 Å²	45.4	30%	0.299	24%	0.244	S	C	.	.	H	α-helix	trans	-59	-44.9	179.5	-58.9	-32.6	0	0	0	112	R417 R418 L423 G424 Y428	R417-D421 VanDerWaalsContact O-CG 3.26Å; R417-D421 PolarHBondContact O-N 2.85Å; R418-D421 PolarHBondContact O-N 2.76Å; D421-L423 PolarHBondContact O-N 2.88Å; D421-G424 PolarHBondContact O-N 2.73Å; D421-Y428 WeakPolarHBondContact OD1-CE1 3.4Å; D421-Y428 VanDerWaalsContact OD1-CZ 3.28Å; D421-Y428 PolarHBondContact OD1-OH 2.76Å
422	R	98.6	Very high	98.7	Very high	125 Å²	125	44.7 Å²	44.7	47%	0.472	24%	0.237	S	C	.	.	T	Hydrogen-bonded Turn	trans	-63	-23.6	177.3	72.8	-175.8	-71.4	-89.8	9.2	113.7	E210 R418 W419 L420	E210-R422 IonicContact OE2-NH2 3.72Å; R418-R422 PolarHBondContact O-N 3.41Å; W419-R422 WeakPolarHBondContact O-CG 3.37Å; L420-R422 PolarHBondContact O-N 2.72Å
423	L	98.6	Very high	98.7	Very high	61 Å²	61	48.4 Å²	48.4	32%	0.319	25%	0.25	S	S	.	.	T	Hydrogen-bonded Turn	trans	-83.6	0.9	175.2	-65.3	173.1	0	0	0	112.1	V405 N409 F410 W419 L420 D421 E425	V405-L423 HydrophobicContact CG1-CD1 3.99Å; N409-L423 HydrophobicContact CB-CD1 4.06Å; F410-L423 HydrophobicContact CE2-CD1 4.46Å; F410-L423 HydrophobicContact CZ-CD1 3.96Å; W419-L423 WeakPolarHBondContact O-CD1 3.41Å; W419-L423 VanDerWaalsContact O-CG 3.3Å; W419-L423 WeakPolarHBondContact O-CG 3.47Å; L420-L423 WeakPolarHBondContact O-CB 3.32Å; L420-L423 PolarHBondContact O-N 3.43Å; L420-L423 VanDerWaalsContact O-N 3.08Å; D421-L423 PolarHBondContact O-N 2.88Å; L423-E425 VanDerWaalsContact C-N 3.33Å
424	G	98.6	Very high	98.7	Very high	62 Å²	62	50.1 Å²	50.1	64%	0.639	26%	0.26	S	S	*	.	T	Hydrogen-bonded Turn	trans	83.3	7.3	-178.7	0	0	0	0	0	113.9	D421	D421-G424 PolarHBondContact O-N 2.73Å
425	E	98.7	Very high	98.7	Very high	35 Å²	35	49.6 Å²	49.6	16%	0.164	26%	0.255	C	S	.	.			trans	-68.4	138	175.1	-66.1	-60	136.5	0	0	110.2	H401 V405 L420 L423 Y428	H401-E425 IonicContact CD2-OE1 3.42Å; H401-E425 IonicContact CD2-OE2 2.78Å; H401-E425 PolarHBondContact CD2-OE2 3.39Å; H401-E425 VanDerWaalsContact CD2-OE2 3.31Å; H401-E425 IonicContact CE1-OE1 3.68Å; H401-E425 VanDerWaalsContact NE2-CD 3.33Å; H401-E425 IonicContact NE2-OE1 2.81Å; H401-E425 PolarHBondContact NE2-OE1 2.78Å; H401-E425 IonicContact NE2-OE2 2.82Å; H401-E425 PolarHBondContact NE2-OE2 3.27Å; V405-E425 HydrophobicContact CG1-CG 4.22Å; V405-E425 HydrophobicContact CG2-CG 4.47Å; V405-E425 WeakPolarHBondContact CG2-OE1 3.47Å; L420-E425 HydrophobicContact CB-CB 4.15Å; L420-E425 WeakPolarHBondContact O-CB 3.44Å; L420-E425 PolarHBondContact O-N 3.44Å; L423-E425 VanDerWaalsContact C-N 3.33Å; E425-Y428 HydrophobicContact CB-CD1 3.72Å; E425-Y428 HydrophobicContact CB-CE1 4.19Å; E425-Y428 WeakPolarHBondContact O-CE1 3.24Å
426	S	98.3	Very high	98.7	Very high	86 Å²	86	50.8 Å²	50.8	60%	0.601	26%	0.263	S	S	*	.			trans	-144.7	156.7	177	65.7	0	0	0	0	111.2	Y428	S426-Y428 PolarHBondContact O-N 2.86Å; S426-Y428 VanDerWaalsContact O-N 3.09Å
427	K	97.9	Very high	98.7	Very high	170 Å²	170	55.9 Å²	55.9	74%	0.739	29%	0.29	S	S	*	.	S	Bend	trans	53.6	30.6	-178.5	-54.9	177.6	-178.4	175.6	0	112.9
428	Y	98.7	Very high	98.6	Very high	17 Å²	17	59.6 Å²	59.6	7%	0.067	31%	0.312	C	S	.	.			trans	-88.8	-13	-174.7	56.5	-101.8	0	0	0	113.8	R417 L420 D421 E425 S426 M430 A431 L432	R417-Y428 HydrophobicContact CB-CE2 4.45Å; R417-Y428 WeakPolarHBondContact CB-OH 3.49Å; R417-Y428 HydrophobicContact CG-CE2 4.41Å; R417-Y428 PolarHBondContact O-OH 2.98Å; L420-Y428 HydrophobicContact CB-CD1 4.4Å; L420-Y428 HydrophobicContact CB-CE1 3.96Å; L420-Y428 HydrophobicContact CB-CE2 4.27Å; L420-Y428 HydrophobicContact CD1-CD2 3.72Å; L420-Y428 HydrophobicContact CD1-CE2 3.64Å; L420-Y428 HydrophobicContact CD1-CG 4.3Å; D421-Y428 WeakPolarHBondContact OD1-CE1 3.4Å; D421-Y428 VanDerWaalsContact OD1-CZ 3.28Å; D421-Y428 PolarHBondContact OD1-OH 2.76Å; E425-Y428 HydrophobicContact CB-CD1 3.72Å; E425-Y428 HydrophobicContact CB-CE1 4.19Å; E425-Y428 WeakPolarHBondContact O-CE1 3.24Å; S426-Y428 PolarHBondContact O-N 2.86Å; S426-Y428 VanDerWaalsContact O-N 3.09Å; Y428-M430 VanDerWaalsContact C-N 3.3Å; Y428-M430 PolarHBondContact O-N 3.34Å; Y428-M430 VanDerWaalsContact O-N 3.16Å; Y428-A431 CarbonylContact O-C 3.59Å; Y428-A431 WeakPolarHBondContact O-CA 3.2Å; Y428-A431 WeakPolarHBondContact O-CB 3.44Å; Y428-A431 PolarHBondContact O-N 2.89Å; Y428-L432 HydrophobicContact CD2-CD2 4.48Å; Y428-L432 PolarHBondContact O-N 2.78Å
429	L	98.6	Very high	98.6	Very high	89 Å²	89	60.2 Å²	60.2	47%	0.466	32%	0.323	S	S	.	.	H	α-helix	trans	-53.9	-41.4	-172.4	-65.1	179.4	0	0	0	114.2	L432 K433	L429-L432 PolarHBondContact O-N 3.02Å; L429-K433 WeakPolarHBondContact O-CB 3.32Å; L429-K433 PolarHBondContact O-N 3.5Å
430	M	98.6	Very high	98.6	Very high	129 Å²	129	59.9 Å²	59.9	64%	0.635	32%	0.323	S	S	*	.	H	α-helix	trans	-69	-36.3	176.5	-169.7	62.8	67.9	0	0	111.9	Y428 K433 N434	Y428-M430 VanDerWaalsContact C-N 3.3Å; Y428-M430 PolarHBondContact O-N 3.34Å; Y428-M430 VanDerWaalsContact O-N 3.16Å; M430-K433 HydrophobicContact SD-CD 4.46Å; M430-N434 PolarHBondContact O-N 3.35Å; M430-N434 PolarHBondContact O-ND2 3.29Å; M430-N434 PolarHBondContact O-OD1 2.78Å
431	A	98.7	Very high	98.6	Very high	6 Å²	6	59.9 Å²	59.9	5%	0.05	32%	0.323	C	S	.	.	H	α-helix	trans	-66.7	-39.6	174.6	0	0	0	0	0	111.2	R398 L402 Y428 N434 L435	R398-A431 HydrophobicContact CB-CB 4.14Å; L402-A431 HydrophobicContact CB-CB 4.28Å; L402-A431 HydrophobicContact CD2-CB 3.86Å; Y428-A431 CarbonylContact O-C 3.59Å; Y428-A431 WeakPolarHBondContact O-CA 3.2Å; Y428-A431 WeakPolarHBondContact O-CB 3.44Å; Y428-A431 PolarHBondContact O-N 2.89Å; A431-N434 WeakPolarHBondContact O-CB 3.44Å; A431-N434 PolarHBondContact O-N 2.77Å; A431-L435 WeakPolarHBondContact O-CG 3.27Å; A431-L435 PolarHBondContact O-N 2.84Å; A431-L435 VanDerWaalsContact O-N 3.14Å
432	L	98.8	Very high	98.6	Very high	1 Å²	1	59.3 Å²	59.3	1%	0.005	32%	0.319	C	S	.	.	H	α-helix	trans	-64.4	-46.8	175.3	-174	57	0	0	0	111	Y383 L402 F415 L420 Y428 L429 N434 L435 C436 V441	Y383-L432 HydrophobicContact CD1-CD1 3.99Å; Y383-L432 HydrophobicContact CD1-CD2 4Å; Y383-L432 HydrophobicContact CD1-CG 4.02Å; Y383-L432 HydrophobicContact CD2-CD2 3.87Å; Y383-L432 HydrophobicContact CE1-CD1 4.38Å; Y383-L432 HydrophobicContact CE1-CD2 3.73Å; Y383-L432 HydrophobicContact CE1-CG 3.89Å; Y383-L432 HydrophobicContact CE2-CD2 3.62Å; Y383-L432 HydrophobicContact CG-CD1 4.19Å; Y383-L432 HydrophobicContact CG-CD2 4.07Å; Y383-L432 HydrophobicContact CG-CG 4.43Å; L402-L432 HydrophobicContact CD2-CB 3.75Å; L402-L432 HydrophobicContact CD2-CD1 4.25Å; L402-L432 VanDerWaalsContact CD2-N 3.33Å; F415-L432 HydrophobicContact CE2-CD1 4.23Å; F415-L432 HydrophobicContact CZ-CD1 4.13Å; L420-L432 HydrophobicContact CD1-CD2 4.44Å; Y428-L432 HydrophobicContact CD2-CD2 4.48Å; Y428-L432 PolarHBondContact O-N 2.78Å; L429-L432 PolarHBondContact O-N 3.02Å; L432-N434 VanDerWaalsContact C-N 3.29Å; L432-N434 PolarHBondContact O-N 2.66Å; L432-L435 WeakPolarHBondContact O-CB 3.21Å; L432-L435 PolarHBondContact O-N 3.43Å; L432-C436 PolarHBondContact O-N 3.14Å; L432-C436 PolarHBondContact O-SG 3.5Å; L432-V441 HydrophobicContact CD1-CG1 4.28Å
433	K	98.7	Very high	98.6	Very high	106 Å²	106	56.3 Å²	56.3	46%	0.461	32%	0.316	S	S	.	.	H	α-helix	trans	-55.9	-44.2	173.5	-169.2	-166.3	-179.2	-54.3	0	111.7	L429 M430 L435 C436 D437	L429-K433 WeakPolarHBondContact O-CB 3.32Å; L429-K433 PolarHBondContact O-N 3.5Å; M430-K433 HydrophobicContact SD-CD 4.46Å; K433-L435 VanDerWaalsContact C-N 3.28Å; K433-L435 PolarHBondContact O-N 2.98Å; K433-C436 WeakPolarHBondContact O-CB 3.39Å; K433-C436 PolarHBondContact O-N 3.28Å; K433-C436 VanDerWaalsContact O-N 3.1Å; K433-D437 IonicContact NZ-OD1 2.69Å; K433-D437 PolarHBondContact NZ-OD1 3.16Å; K433-D437 IonicContact NZ-OD2 3.67Å; K433-D437 PolarHBondContact NZ-OD2 3.43Å; K433-D437 VanDerWaalsContact O-CG 3.28Å; K433-D437 PolarHBondContact O-N 2.97Å
434	N	98.7	Very high	98.6	Very high	44 Å²	44	56.5 Å²	56.5	24%	0.235	31%	0.313	C	S	.	.	H	α-helix	trans	-60.3	-37.1	176.4	-69.3	-12.9	0	0	0	112.3	T399 M430 A431 L432 C436 L438	T399-N434 HydrophobicContact CG2-CB 3.91Å; T399-N434 PolarHBondContact OG1-ND2 2.83Å; M430-N434 PolarHBondContact O-N 3.35Å; M430-N434 PolarHBondContact O-ND2 3.29Å; M430-N434 PolarHBondContact O-OD1 2.78Å; A431-N434 WeakPolarHBondContact O-CB 3.44Å; A431-N434 PolarHBondContact O-N 2.77Å; L432-N434 VanDerWaalsContact C-N 3.29Å; L432-N434 PolarHBondContact O-N 2.66Å; N434-C436 VanDerWaalsContact C-N 3.31Å; N434-L438 WeakPolarHBondContact O-CB 3.48Å; N434-L438 WeakPolarHBondContact O-CD1 3.43Å; N434-L438 WeakPolarHBondContact O-CG 3.42Å; N434-L438 PolarHBondContact O-N 3.22Å; N434-L438 VanDerWaalsContact O-N 3.1Å
435	L	98.9	Very high	98.6	Very high	0 Å²	0	54.8 Å²	54.8	0%	0	29%	0.29	C	S	.	.	H	α-helix	trans	-66.8	-35.8	175.9	-65.4	175.2	0	0	0	111.6	I394 T399 L402 L403 I406 A431 L432 K433 G439 I440 V441	I394-L435 HydrophobicContact CD1-CD2 3.52Å; T399-L435 HydrophobicContact CG2-CD2 3.51Å; T399-L435 HydrophobicContact CG2-CG 3.86Å; L402-L435 HydrophobicContact CB-CD1 4.47Å; L402-L435 HydrophobicContact CD2-CD1 4.02Å; L402-L435 HydrophobicContact CG-CD1 4.15Å; L403-L435 HydrophobicContact CB-CD1 4.27Å; L403-L435 HydrophobicContact CB-CD2 3.99Å; L403-L435 HydrophobicContact CD1-CD2 4.41Å; L403-L435 HydrophobicContact CD2-CD2 4.37Å; L403-L435 HydrophobicContact CG-CD2 4.48Å; I406-L435 HydrophobicContact CD1-CD1 3.63Å; A431-L435 WeakPolarHBondContact O-CG 3.27Å; A431-L435 PolarHBondContact O-N 2.84Å; A431-L435 VanDerWaalsContact O-N 3.14Å; L432-L435 WeakPolarHBondContact O-CB 3.21Å; L432-L435 PolarHBondContact O-N 3.43Å; K433-L435 VanDerWaalsContact C-N 3.28Å; K433-L435 PolarHBondContact O-N 2.98Å; L435-G439 PolarHBondContact O-N 3.4Å; L435-I440 HydrophobicContact CD2-CD1 4.12Å; L435-I440 PolarHBondContact O-N 2.97Å; L435-V441 HydrophobicContact CB-CB 4Å; L435-V441 HydrophobicContact CB-CG2 3.82Å; L435-V441 HydrophobicContact CD1-CG2 4.11Å; L435-V441 PolarHBondContact O-N 3.46Å
436	C	98.7	Very high	98.6	Very high	25 Å²	25	53.1 Å²	53.1	17%	0.169	28%	0.283	C	S	.	.	H	α-helix	trans	-68	-47.2	172.9	-59.1	0	0	0	0	113	L432 K433 N434 L438 G439 V441	L432-C436 PolarHBondContact O-N 3.14Å; L432-C436 PolarHBondContact O-SG 3.5Å; K433-C436 WeakPolarHBondContact O-CB 3.39Å; K433-C436 PolarHBondContact O-N 3.28Å; K433-C436 VanDerWaalsContact O-N 3.1Å; N434-C436 VanDerWaalsContact C-N 3.31Å; C436-L438 PolarHBondContact O-N 3.22Å; C436-L438 VanDerWaalsContact O-N 3.16Å; C436-G439 PolarHBondContact O-N 2.58Å; C436-V441 WeakPolarHBondContact CA-O 3.34Å; C436-V441 PolarHBondContact SG-O 3.36Å
437	D	98.5	Very high	98.7	Very high	106 Å²	106	50.1 Å²	50.1	57%	0.567	26%	0.26	S	S	*	.	H	α-helix	trans	-61.2	-26.6	177.8	-64.2	-18.2	0	0	0	111.9	K433	K433-D437 IonicContact NZ-OD1 2.69Å; K433-D437 PolarHBondContact NZ-OD1 3.16Å; K433-D437 IonicContact NZ-OD2 3.67Å; K433-D437 PolarHBondContact NZ-OD2 3.43Å; K433-D437 VanDerWaalsContact O-CG 3.28Å; K433-D437 PolarHBondContact O-N 2.97Å
438	L	98.3	Very high	98.7	Very high	107 Å²	107	42 Å²	42	56%	0.56	23%	0.225	S	C	*	.	T	Hydrogen-bonded Turn	trans	-84.5	-4.2	174.8	-71.1	171.7	0	0	0	113.9	I394 N434 C436 I440	I394-L438 HydrophobicContact CD1-CD1 4.45Å; N434-L438 WeakPolarHBondContact O-CB 3.48Å; N434-L438 WeakPolarHBondContact O-CD1 3.43Å; N434-L438 WeakPolarHBondContact O-CG 3.42Å; N434-L438 PolarHBondContact O-N 3.22Å; N434-L438 VanDerWaalsContact O-N 3.1Å; C436-L438 PolarHBondContact O-N 3.22Å; C436-L438 VanDerWaalsContact O-N 3.16Å; L438-I440 HydrophobicContact CB-CD1 3.93Å; L438-I440 HydrophobicContact CB-CG1 3.98Å; L438-I440 HydrophobicContact CD1-CD1 4.03Å; L438-I440 PolarHBondContact O-N 3.09Å
439	G	98.4	Very high	98.7	Very high	30 Å²	30	41.3 Å²	41.3	31%	0.309	22%	0.222	S	C	.	.	T	Hydrogen-bonded Turn	trans	67.4	17.3	-175.6	0	0	0	0	0	114.3	L435 C436	L435-G439 PolarHBondContact O-N 3.4Å; C436-G439 PolarHBondContact O-N 2.58Å
440	I	98.8	Very high	98.7	Very high	3 Å²	3	40.3 Å²	40.3	2%	0.015	22%	0.216	C	C	.	.	S	Bend	trans	-82.2	-36	178.2	-60.5	170.6	0	0	0	110.2	K385 N386 V389 V392 I394 L403 L435 L438	K385-I440 WeakPolarHBondContact CA-O 3.4Å; K385-I440 HydrophobicContact CG-CG2 4.46Å; K385-I440 VanDerWaalsContact CG-O 3.28Å; K385-I440 WeakPolarHBondContact CG-O 3.41Å; N386-I440 PolarHBondContact N-O 2.99Å; V389-I440 HydrophobicContact CG1-CG1 4.35Å; V392-I440 HydrophobicContact CB-CD1 3.86Å; V392-I440 HydrophobicContact CB-CG1 4.45Å; V392-I440 HydrophobicContact CG1-CD1 3.94Å; V392-I440 HydrophobicContact CG2-CD1 4.14Å; V392-I440 HydrophobicContact CG2-CG1 4.17Å; I394-I440 HydrophobicContact CD1-CD1 3.86Å; L403-I440 HydrophobicContact CD1-CG2 3.75Å; L403-I440 HydrophobicContact CD2-CD1 4.45Å; L403-I440 HydrophobicContact CD2-CG2 4.38Å; L435-I440 HydrophobicContact CD2-CD1 4.12Å; L435-I440 PolarHBondContact O-N 2.97Å; L438-I440 HydrophobicContact CB-CD1 3.93Å; L438-I440 HydrophobicContact CB-CG1 3.98Å; L438-I440 HydrophobicContact CD1-CD1 4.03Å; L438-I440 PolarHBondContact O-N 3.09Å
441	V	98.9	Very high	98.7	Very high	0 Å²	0	43.8 Å²	43.8	0%	0	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127	125.5	180	174.2	0	0	0	0	108.3	Y383 M384 I406 F415 L432 L435 C436	Y383-V441 HydrophobicContact CD1-CG1 4.18Å; Y383-V441 HydrophobicContact CG-CG1 4.46Å; M384-V441 CarbonylContact O-C 3.51Å; M384-V441 WeakPolarHBondContact O-CA 3.42Å; I406-V441 HydrophobicContact CD1-CG2 4.1Å; F415-V441 HydrophobicContact CE1-CG1 4.4Å; F415-V441 HydrophobicContact CZ-CG1 4.12Å; L432-V441 HydrophobicContact CD1-CG1 4.28Å; L435-V441 HydrophobicContact CB-CB 4Å; L435-V441 HydrophobicContact CB-CG2 3.82Å; L435-V441 HydrophobicContact CD1-CG2 4.11Å; L435-V441 PolarHBondContact O-N 3.46Å; C436-V441 WeakPolarHBondContact CA-O 3.34Å; C436-V441 PolarHBondContact SG-O 3.36Å
442	D	98.8	Very high	98.7	Very high	44 Å²	44	46.1 Å²	46.1	24%	0.235	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.6	131.1	177.6	-62.9	-45.7	0	0	0	109.8	Y383 M384 N386 Y444	Y383-D442 WeakPolarHBondContact CA-O 3.17Å; M384-D442 PolarHBondContact N-O 2.89Å; M384-D442 PolarHBondContact O-N 3.35Å; N386-D442 WeakPolarHBondContact CB-OD2 3.43Å; N386-D442 PolarHBondContact ND2-OD2 3.38Å; D442-Y444 HydrophobicContact CB-CE2 3.77Å; D442-Y444 WeakPolarHBondContact O-CD2 3.34Å; D442-Y444 WeakPolarHBondContact O-CE2 3.28Å
443	P	98.8	Very high	98.7	Very high	62 Å²	62	46.3 Å²	46.3	40%	0.403	25%	0.254	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.3	139.2	171.8	32.1	-32.2	0	0	0	110.6	Y383 P445	Y383-P443 HydrophobicContact CD1-CB 4.16Å; Y383-P443 HydrophobicContact CE1-CB 3.97Å; P443-P445 WeakPolarHBondContact O-CD 3.47Å
444	Y	98.8	Very high	98.7	Very high	65 Å²	65	43.2 Å²	43.2	26%	0.255	24%	0.24	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-120	84.9	176.6	-70.2	-93.8	0	0	0	108.9	H382 M384 D442	H382-Y444 WeakPolarHBondContact CB-O 3.16Å; H382-Y444 PolarHBondContact O-N 2.97Å; M384-Y444 HydrophobicContact CB-CD2 4.26Å; M384-Y444 HydrophobicContact CB-CE2 3.79Å; M384-Y444 HydrophobicContact CE-CE2 3.99Å; M384-Y444 WeakPolarHBondContact CE-OH 3.22Å; D442-Y444 HydrophobicContact CB-CE2 3.77Å; D442-Y444 WeakPolarHBondContact O-CD2 3.34Å; D442-Y444 WeakPolarHBondContact O-CE2 3.28Å
445	P	98.8	Very high	98.7	Very high	25 Å²	25	41.1 Å²	41.1	16%	0.162	23%	0.228	C	C	.	.			trans	-67.6	159.8	-179.3	29.4	-35.2	0	0	0	111.6	H231 D376 C380 P443 L447	H231-P445 WeakPolarHBondContact CB-O 3.48Å; D376-P445 HydrophobicContact CB-CB 4.18Å; D376-P445 HydrophobicContact CB-CG 3.68Å; D376-P445 WeakPolarHBondContact OD2-CG 3.44Å; C380-P445 HydrophobicContact CB-CB 4.24Å; P443-P445 WeakPolarHBondContact O-CD 3.47Å; P445-L447 PolarHBondContact O-N 3.42Å
446	P	98.9	Very high	98.7	Very high	0 Å²	0	41.1 Å²	41.1	0%	0	23%	0.228	C	C	.	.			trans	-54.5	136.8	171.1	-26.4	35.3	0	0	0	112.8	A230 Y232 D376 D377 M378	A230-P446 WeakPolarHBondContact O-CA 3.3Å; Y232-P446 HydrophobicContact CD2-CG 4.43Å; D376-P446 WeakPolarHBondContact CA-O 3.25Å; D377-P446 PolarHBondContact N-O 3.05Å; D377-P446 WeakPolarHBondContact O-CB 3.34Å; D377-P446 WeakPolarHBondContact O-CD 3.24Å; M378-P446 HydrophobicContact CB-CB 4.47Å; M378-P446 HydrophobicContact CB-CG 4.21Å; M378-P446 HydrophobicContact CE-CB 3.37Å; M378-P446 HydrophobicContact CE-CG 3.89Å
447	L	98.9	Very high	98.8	Very high	23 Å²	23	40 Å²	40	12%	0.12	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.8	109.7	-174.7	-65.1	-178.5	0	0	0	110.2	C228 A229 A230 H231 L328 V374 D376 P445	C228-L447 CarbonylContact C-O 3.47Å; A229-L447 PolarHBondContact N-O 3.32Å; A230-L447 PolarHBondContact O-N 2.78Å; H231-L447 WeakPolarHBondContact ND1-CD1 3.4Å; L328-L447 HydrophobicContact CD2-CD1 3.59Å; V374-L447 HydrophobicContact CB-CB 3.87Å; V374-L447 HydrophobicContact CG1-CB 4.19Å; V374-L447 HydrophobicContact CG2-CB 3.95Å; V374-L447 HydrophobicContact CG2-CD1 4.4Å; D376-L447 VanDerWaalsContact OD1-CD2 3.28Å; D376-L447 WeakPolarHBondContact OD1-CD2 3.37Å; P445-L447 PolarHBondContact O-N 3.42Å
448	C	98.9	Very high	98.8	Very high	1 Å²	1	35.3 Å²	35.3	1%	0.007	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.6	135.3	-169.9	-60.4	0	0	0	0	113.3	N227 C228 V374 H375 D377	N227-C448 CarbonylContact O-C 3.44Å; N227-C448 WeakPolarHBondContact O-CA 3.42Å; C228-C448 WeakPolarHBondContact CB-SG 3.42Å; V374-C448 CarbonylContact C-O 3.54Å; V374-C448 VanDerWaalsContact CA-O 3.22Å; V374-C448 WeakPolarHBondContact CA-O 3.3Å; H375-C448 PolarHBondContact CE1-O 3.07Å; H375-C448 PolarHBondContact N-O 2.78Å; H375-C448 PolarHBondContact ND1-O 3.24Å; H375-C448 PolarHBondContact O-N 2.92Å; D377-C448 HydrophobicContact CB-CB 3.94Å
449	D	98.9	Very high	98.8	Very high	1 Å²	1	30.2 Å²	30.2	1%	0.005	17%	0.169	C	C	.	.			trans	-79.4	177.5	160.7	-159.7	-26.8	0	0	0	109.2	N227 S368 K371 G372 V373 T455	N227-D449 PolarHBondContact ND2-O 3.22Å; N227-D449 PolarHBondContact O-N 3.08Å; S368-D449 WeakPolarHBondContact CB-OD2 3.49Å; S368-D449 PolarHBondContact OG-OD2 3.39Å; K371-D449 PolarHBondContact N-OD1 3.36Å; K371-D449 PolarHBondContact N-OD2 3.23Å; G372-D449 PolarHBondContact N-OD2 3.41Å; V373-D449 WeakPolarHBondContact O-CA 3.43Å; D449-T455 HydrophobicContact CB-CG2 4.27Å
450	I	98.8	Very high	98.8	Very high	68 Å²	68	28.9 Å²	28.9	35%	0.349	16%	0.155	S	C	.	.	S	Bend	trans	-54.9	143.1	-176	61.4	166.1	0	0	0	112.3	N227 K371 G452 S453	N227-I450 WeakPolarHBondContact CB-O 3.45Å; K371-I450 HydrophobicContact CB-CG2 4.46Å; K371-I450 HydrophobicContact CD-CG2 3.75Å; K371-I450 HydrophobicContact CG-CD1 4.2Å; K371-I450 HydrophobicContact CG-CG1 4.49Å; K371-I450 HydrophobicContact CG-CG2 3.87Å; I450-G452 PolarHBondContact O-N 3.23Å; I450-S453 WeakPolarHBondContact O-CB 3.19Å; I450-S453 PolarHBondContact O-N 3.16Å; I450-S453 PolarHBondContact O-OG 3.3Å
451	K	98.6	Very high	98.8	Very high	203 Å²	203	28.8 Å²	28.8	88%	0.883	15%	0.154	S	C	*	.	T	Hydrogen-bonded Turn	trans	-50.9	130.4	177	-174.3	176	-177.1	174.3	0	111.8
452	G	98.3	Very high	98.8	Very high	55 Å²	55	28.8 Å²	28.8	57%	0.567	15%	0.154	S	C	*	.	T	Hydrogen-bonded Turn	trans	87.8	-1.3	179.6	0	0	0	0	0	115	I450	I450-G452 PolarHBondContact O-N 3.23Å
453	S	98.9	Very high	98.8	Very high	5 Å²	5	26.7 Å²	26.7	4%	0.035	14%	0.143	C	C	.	.			trans	-78	165.8	165.2	69.3	0	0	0	0	111.7	N227 G370 I450	N227-S453 WeakPolarHBondContact CA-O 3.47Å; N227-S453 WeakPolarHBondContact CB-O 3.22Å; N227-S453 WeakPolarHBondContact CB-OG 3.46Å; N227-S453 PolarHBondContact N-O 3.45Å; G370-S453 VanDerWaalsContact CA-CB 3.48Å; I450-S453 WeakPolarHBondContact O-CB 3.19Å; I450-S453 PolarHBondContact O-N 3.16Å; I450-S453 PolarHBondContact O-OG 3.3Å
454	Y	98.9	Very high	98.9	Very high	40 Å²	40	23.7 Å²	23.7	16%	0.157	12%	0.123	C	C	.	.			trans	-122	129.8	175.8	-55.8	-68	0	0	0	108.6	I247 Y273 I315 D316 S368 T369	I247-Y454 HydrophobicContact CG2-CD1 4.12Å; Y273-Y454 AromaticContact CE1-CD1 3.62Å; Y273-Y454 HydrophobicContact CE1-CD1 3.62Å; Y273-Y454 AromaticContact CE1-CD2 3.96Å; Y273-Y454 HydrophobicContact CE1-CD2 3.96Å; Y273-Y454 AromaticContact CE1-CE1 3.92Å; Y273-Y454 HydrophobicContact CE1-CE1 3.92Å; Y273-Y454 HydrophobicContact CE1-CE2 4.21Å; Y273-Y454 AromaticContact CE1-CG 3.64Å; Y273-Y454 HydrophobicContact CE1-CG 3.64Å; Y273-Y454 AromaticContact CZ-CD1 3.92Å; Y273-Y454 AromaticContact CZ-CE1 3.88Å; Y273-Y454 WeakPolarHBondContact OH-CD1 3.45Å; Y273-Y454 WeakPolarHBondContact OH-CE1 3.45Å; I315-Y454 HydrophobicContact CB-CE2 4.38Å; I315-Y454 HydrophobicContact CD1-CD2 3.94Å; I315-Y454 HydrophobicContact CG2-CD2 4.08Å; I315-Y454 HydrophobicContact CG2-CE2 3.58Å; D316-Y454 PolarHBondContact OD2-OH 3.19Å; D316-Y454 VanDerWaalsContact OD2-OH 3.05Å; S368-Y454 WeakPolarHBondContact CA-O 3.31Å; T369-Y454 HydrophobicContact CG2-CD2 4.43Å; T369-Y454 PolarHBondContact N-O 3.49Å; T369-Y454 PolarHBondContact OG1-N 2.92Å
455	T	98.9	Very high	98.9	Very high	0 Å²	0	21 Å²	21	0%	0	11%	0.113	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.3	141.1	176.7	68.7	0	0	0	0	110.9	N226 C228 A229 I247 K249 I325 G367 D449	N226-T455 PolarHBondContact O-N 3.32Å; N226-T455 PolarHBondContact O-OG1 3.08Å; C228-T455 PolarHBondContact O-OG1 2.83Å; A229-T455 WeakPolarHBondContact CA-OG1 3.45Å; A229-T455 HydrophobicContact CB-CG2 4.35Å; I247-T455 WeakPolarHBondContact CD1-O 3.45Å; K249-T455 VanDerWaalsContact CD-O 3.26Å; K249-T455 WeakPolarHBondContact CD-O 3.46Å; K249-T455 WeakPolarHBondContact CE-OG1 3.25Å; K249-T455 PolarHBondContact NZ-O 2.92Å; K249-T455 PolarHBondContact NZ-OG1 2.99Å; I325-T455 HydrophobicContact CD1-CG2 3.84Å; G367-T455 CarbonylContact O-C 3.5Å; G367-T455 WeakPolarHBondContact O-CA 3.34Å; D449-T455 HydrophobicContact CB-CG2 4.27Å
456	A	98.9	Very high	98.9	Very high	0 Å²	0	20 Å²	20	0%	0	11%	0.107	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.5	152.8	171.7	0	0	0	0	0	110.6	I247 T266 L276 L277 V280 F366 G367	I247-A456 HydrophobicContact CD1-CB 3.92Å; T266-A456 HydrophobicContact CG2-CB 4.16Å; L276-A456 HydrophobicContact CD2-CB 4.42Å; L276-A456 HydrophobicContact CG-CB 4.06Å; L277-A456 HydrophobicContact CD1-CB 4.34Å; V280-A456 HydrophobicContact CB-CB 4.32Å; V280-A456 HydrophobicContact CG2-CB 3.94Å; F366-A456 VanDerWaalsContact CA-O 3.29Å; F366-A456 WeakPolarHBondContact CA-O 3.47Å; G367-A456 PolarHBondContact N-O 3.18Å; G367-A456 PolarHBondContact O-N 2.78Å
457	Q	98.9	Very high	98.9	Very high	1 Å²	1	21 Å²	21	1%	0.005	11%	0.112	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135	143.4	177.3	-175.1	-167.4	11.2	0	0	110.8	K249 D251 A264 T266 E364 T365 F366	K249-Q457 HydrophobicContact CB-CB 4.36Å; K249-Q457 HydrophobicContact CG-CB 3.58Å; D251-Q457 PolarHBondContact OD2-NE2 2.96Å; A264-Q457 HydrophobicContact CB-CG 4.25Å; T266-Q457 PolarHBondContact N-O 3.39Å; T266-Q457 PolarHBondContact OG1-N 3.09Å; T266-Q457 PolarHBondContact OG1-O 3.02Å; E364-Q457 PolarHBondContact OE2-NE2 3.17Å; E364-Q457 VanDerWaalsContact OE2-NE2 3.15Å; T365-Q457 WeakPolarHBondContact O-CA 3.42Å; F366-Q457 HydrophobicContact CD1-CB 3.72Å; F366-Q457 HydrophobicContact CD1-CG 3.78Å; F366-Q457 HydrophobicContact CE1-CB 3.67Å; F366-Q457 HydrophobicContact CE1-CG 3.34Å; F366-Q457 HydrophobicContact CE2-CG 4.38Å; F366-Q457 HydrophobicContact CG-CG 4.48Å; F366-Q457 HydrophobicContact CZ-CB 4.49Å; F366-Q457 VanDerWaalsContact CZ-CD 3.49Å; F366-Q457 HydrophobicContact CZ-CG 3.68Å; F366-Q457 VanDerWaalsContact CZ-NE2 3.3Å
458	F	98.9	Very high	98.8	Very high	9 Å²	9	20.4 Å²	20.4	4%	0.039	11%	0.11	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.4	145.2	161.5	-80.7	-84.6	0	0	0	109.3	F265 L277 V280 K281 T284 E364 T365 Y478	F265-F458 HydrophobicContact CB-CD1 4.22Å; F265-F458 HydrophobicContact CB-CE1 3.93Å; L277-F458 HydrophobicContact CB-CE2 4.17Å; L277-F458 HydrophobicContact CG-CE2 4.3Å; L277-F458 WeakPolarHBondContact O-CE2 3.46Å; V280-F458 HydrophobicContact CB-CD2 4.29Å; V280-F458 HydrophobicContact CG1-CD2 4.17Å; K281-F458 HydrophobicContact CB-CD1 4.47Å; K281-F458 HydrophobicContact CB-CD2 3.7Å; K281-F458 HydrophobicContact CB-CE2 3.86Å; K281-F458 HydrophobicContact CB-CG 4.03Å; K281-F458 HydrophobicContact CB-CZ 4.32Å; K281-F458 HydrophobicContact CG-CD1 4.4Å; K281-F458 HydrophobicContact CG-CD2 4.48Å; K281-F458 HydrophobicContact CG-CG 4.36Å; T284-F458 HydrophobicContact CG2-CB 4.29Å; T284-F458 WeakPolarHBondContact CG2-O 3.18Å; T284-F458 PolarHBondContact OG1-O 3.41Å; E364-F458 WeakPolarHBondContact CA-O 3.36Å; T365-F458 PolarHBondContact N-O 2.9Å; T365-F458 PolarHBondContact O-N 3.32Å; F458-Y478 AromaticContact CD1-CD2 3.92Å; F458-Y478 HydrophobicContact CD1-CD2 3.92Å; F458-Y478 HydrophobicContact CD1-CE2 4.47Å; F458-Y478 HydrophobicContact CD1-CG 4.21Å; F458-Y478 HydrophobicContact CE1-CD2 4.44Å; F458-Y478 HydrophobicContact CE1-CG 4.27Å
459	E	98.9	Very high	98.8	Very high	0 Å²	0	20.5 Å²	20.5	0%	0	11%	0.11	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-151.3	146.8	-174.3	176.1	172.1	-154.8	0	0	113.7	D262 C263 A264 A362 I363 E364	D262-E459 VanDerWaalsContact CG-OE1 3.31Å; C263-E459 PolarHBondContact SG-O 3.48Å; A264-E459 HydrophobicContact CB-CB 3.91Å; A264-E459 PolarHBondContact N-O 3.37Å; A264-E459 PolarHBondContact O-N 2.87Å; A264-E459 VanDerWaalsContact O-N 3.09Å; A362-E459 WeakPolarHBondContact CB-OE1 3.13Å; I363-E459 WeakPolarHBondContact O-CA 3.38Å; E364-E459 HydrophobicContact CB-CB 3.67Å; E364-E459 HydrophobicContact CB-CG 3.67Å
460	H	98.9	Very high	98.8	Very high	2 Å²	2	20.5 Å²	20.5	1%	0.009	11%	0.11	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.2	142.3	164.1	-76.1	-67.8	0	0	0	112.9	I288 I363 V471 S473 R474 Y478	I288-H460 HydrophobicContact CD1-CB 3.81Å; I363-H460 PolarHBondContact N-O 3.3Å; I363-H460 PolarHBondContact O-N 3.34Å; I363-H460 VanDerWaalsContact O-N 3.08Å; H460-V471 HydrophobicContact CB-CG1 3.85Å; H460-S473 WeakPolarHBondContact CA-OG 3.33Å; H460-S473 VanDerWaalsContact CB-OG 3.3Å; H460-S473 WeakPolarHBondContact CB-OG 3.43Å; H460-S473 PolarHBondContact ND1-O 3Å; H460-S473 PolarHBondContact ND1-OG 3.3Å; H460-R474 PolarHBondContact CD2-NH1 3Å; H460-R474 VanDerWaalsContact CD2-NH1 3.28Å; H460-R474 PolarHBondContact NE2-NH1 3.23Å; H460-Y478 AromaticContact CE1-CD2 3.51Å; H460-Y478 AromaticContact CE1-CE2 3.49Å; H460-Y478 VanDerWaalsContact CE1-CE2 3.49Å; H460-Y478 WeakPolarHBondContact CE1-CE2 3.41Å; H460-Y478 PolarHBondContact CE1-O 2.93Å; H460-Y478 AromaticContact NE2-CD2 3.27Å; H460-Y478 VanDerWaalsContact NE2-CD2 3.27Å; H460-Y478 WeakPolarHBondContact NE2-CD2 3.46Å; H460-Y478 AromaticContact NE2-CE2 3.68Å; H460-Y478 PolarHBondContact NE2-O 3.44Å
461	T	98.9	Very high	98.9	Very high	0 Å²	0	17.2 Å²	17.2	0%	0	9%	0.094	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-71.1	131.5	157.3	-59.1	0	0	0	0	111.4	I261 D262 I333 V360 Y361 V472 S473	I261-T461 HydrophobicContact CD1-CG2 4.02Å; D262-T461 PolarHBondContact N-OG1 2.81Å; D262-T461 PolarHBondContact O-N 3.01Å; D262-T461 PolarHBondContact O-OG1 3.36Å; I333-T461 HydrophobicContact CD1-CG2 4.26Å; V360-T461 HydrophobicContact CG1-CG2 3.59Å; Y361-T461 CarbonylContact O-C 3.55Å; Y361-T461 VanDerWaalsContact O-CA 3.31Å; Y361-T461 WeakPolarHBondContact O-CA 3.41Å; T461-V472 HydrophobicContact CG2-CG1 3.88Å; T461-V472 WeakPolarHBondContact O-CG1 3.28Å; T461-V472 PolarHBondContact O-N 3.44Å; T461-S473 PolarHBondContact N-OG 3Å; T461-S473 PolarHBondContact O-OG 3.44Å
462	I	98.9	Very high	98.9	Very high	0 Å²	0	7.6 Å²	7.6	0%	0	5%	0.052	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.7	145.9	172.3	68.7	171.4	0	0	0	111.6	I288 A291 V360 Y361 I363 L464 K469 E470 V471	I288-I462 HydrophobicContact CG1-CG2 4.37Å; I288-I462 HydrophobicContact CG2-CG2 4.25Å; A291-I462 HydrophobicContact CB-CD1 3.58Å; V360-I462 WeakPolarHBondContact CA-O 3.42Å; V360-I462 WeakPolarHBondContact CG1-O 3.28Å; Y361-I462 PolarHBondContact N-O 3.05Å; Y361-I462 PolarHBondContact O-N 2.86Å; I363-I462 HydrophobicContact CD1-CD1 4.11Å; I363-I462 HydrophobicContact CG1-CD1 3.69Å; I363-I462 HydrophobicContact CG1-CG1 4Å; I363-I462 HydrophobicContact CG1-CG2 4.38Å; I462-L464 HydrophobicContact CD1-CD2 3.9Å; I462-L464 HydrophobicContact CG1-CD2 4.4Å; I462-K469 HydrophobicContact CD1-CD 4.18Å; I462-E470 CarbonylContact C-O 3.48Å; I462-E470 WeakPolarHBondContact CA-O 3.47Å; I462-V471 HydrophobicContact CG2-CB 4.33Å; I462-V471 HydrophobicContact CG2-CG1 4.08Å; I462-V471 HydrophobicContact CG2-CG2 4.14Å
463	L	98.9	Very high	98.9	Very high	0 Å²	0	5 Å²	5	0%	0	3%	0.025	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.9	122.2	175	-46.3	175.1	0	0	0	109	W166 F169 V360 R465 E470 V472	W166-L463 HydrophobicContact CE3-CB 4.44Å; W166-L463 HydrophobicContact CE3-CD1 3.89Å; W166-L463 HydrophobicContact CE3-CD2 4.41Å; W166-L463 HydrophobicContact CE3-CG 4.48Å; W166-L463 HydrophobicContact CZ3-CB 4.42Å; W166-L463 HydrophobicContact CZ3-CD2 4.46Å; F169-L463 HydrophobicContact CB-CD1 4.23Å; F169-L463 HydrophobicContact CB-CD2 4.26Å; F169-L463 HydrophobicContact CD1-CD2 4.07Å; F169-L463 HydrophobicContact CD2-CD1 4.5Å; F169-L463 HydrophobicContact CD2-CD2 3.74Å; F169-L463 HydrophobicContact CE1-CD2 4.33Å; F169-L463 HydrophobicContact CE2-CD2 4.03Å; F169-L463 HydrophobicContact CG-CD2 3.78Å; F169-L463 HydrophobicContact CZ-CD2 4.33Å; V360-L463 HydrophobicContact CB-CD2 4.39Å; V360-L463 HydrophobicContact CG1-CD2 3.89Å; V360-L463 HydrophobicContact CG2-CD2 3.68Å; L463-R465 HydrophobicContact CB-CG 3.94Å; L463-R465 PolarHBondContact O-N 3.23Å; L463-R465 VanDerWaalsContact O-N 3.08Å; L463-E470 HydrophobicContact CB-CB 4.27Å; L463-E470 HydrophobicContact CD1-CB 4.42Å; L463-E470 PolarHBondContact N-O 3.39Å; L463-E470 PolarHBondContact O-N 3.49Å; L463-V472 HydrophobicContact CD1-CB 3.9Å; L463-V472 HydrophobicContact CD1-CG1 4.24Å; L463-V472 HydrophobicContact CD1-CG2 4.11Å; L463-V472 HydrophobicContact CD2-CG1 4.11Å; L463-V472 HydrophobicContact CG-CB 4Å; L463-V472 HydrophobicContact CG-CG1 3.92Å
464	L	98.9	Very high	98.9	Very high	0 Å²	0	6.4 Å²	6.4	0%	0	3%	0.029	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.5	65.2	174.8	-55.1	-172	0	0	0	110.3	Y137 I293 M355 G358 E359 Y361 I462 K469	Y137-L464 HydrophobicContact CE1-CD2 4.11Å; Y137-L464 WeakPolarHBondContact OH-CA 3.49Å; Y137-L464 PolarHBondContact OH-O 3.3Å; I293-L464 HydrophobicContact CG1-CB 4.2Å; M355-L464 HydrophobicContact CB-CD1 3.71Å; M355-L464 HydrophobicContact CG-CD1 4.33Å; M355-L464 HydrophobicContact SD-CD1 4.17Å; G358-L464 PolarHBondContact N-O 2.93Å; E359-L464 HydrophobicContact CB-CD1 4.42Å; E359-L464 WeakPolarHBondContact O-CB 3.45Å; E359-L464 PolarHBondContact O-N 2.82Å; Y361-L464 HydrophobicContact CD2-CD1 3.85Å; Y361-L464 HydrophobicContact CD2-CG 4.25Å; Y361-L464 HydrophobicContact CE2-CD1 3.73Å; I462-L464 HydrophobicContact CD1-CD2 3.9Å; I462-L464 HydrophobicContact CG1-CD2 4.4Å; L464-K469 HydrophobicContact CD2-CD 4.33Å; L464-K469 HydrophobicContact CD2-CG 4.22Å
465	R	98.9	Very high	98.9	Very high	8 Å²	8	5.6 Å²	5.6	3%	0.03	3%	0.033	C	C	.	.			trans	-66	152.9	-177.7	-67.6	169.6	51.4	-139	-14	111.7	E134 Y137 D159 W166 L463 T467 C468 E470	E134-R465 IonicContact OE1-CZ 3.27Å; E134-R465 IonicContact OE1-NH1 3.38Å; E134-R465 PolarHBondContact OE1-NH1 3.28Å; E134-R465 IonicContact OE1-NH2 3.67Å; Y137-R465 WeakPolarHBondContact CE2-O 3.31Å; Y137-R465 PolarHBondContact OH-N 3.17Å; Y137-R465 VanDerWaalsContact OH-N 3.16Å; Y137-R465 PolarHBondContact OH-O 3.13Å; D159-R465 IonicContact OD1-CZ 2.75Å; D159-R465 VanDerWaalsContact OD1-CZ 3.25Å; D159-R465 IonicContact OD1-NE 3.22Å; D159-R465 PolarHBondContact OD1-NE 3.26Å; D159-R465 IonicContact OD1-NH2 2.78Å; D159-R465 PolarHBondContact OD1-NH2 3.48Å; D159-R465 WeakPolarHBondContact OD2-CB 3.41Å; D159-R465 IonicContact OD2-CZ 2.78Å; D159-R465 IonicContact OD2-NE 2.81Å; D159-R465 IonicContact OD2-NH2 3.6Å; D159-R465 PolarHBondContact OD2-NH2 3.29Å; W166-R465 HydrophobicContact CD2-CG 3.89Å; W166-R465 HydrophobicContact CE3-CG 4.26Å; W166-R465 HydrophobicContact CG-CG 4.34Å; W166-R465 HydrophobicContact CH2-CG 4.33Å; W166-R465 HydrophobicContact CZ2-CG 3.96Å; W166-R465 HydrophobicContact CZ3-CG 4.46Å; L463-R465 HydrophobicContact CB-CG 3.94Å; L463-R465 PolarHBondContact O-N 3.23Å; L463-R465 VanDerWaalsContact O-N 3.08Å; R465-T467 VanDerWaalsContact C-N 3.26Å; R465-T467 PolarHBondContact O-N 3.32Å; R465-C468 CarbonylContact C-O 3.49Å; R465-C468 WeakPolarHBondContact CA-O 3.36Å; R465-C468 VanDerWaalsContact CB-O 3.3Å; R465-C468 WeakPolarHBondContact CB-O 3.4Å; R465-C468 PolarHBondContact N-O 3.41Å; R465-C468 VanDerWaalsContact N-O 3.13Å; R465-C468 PolarHBondContact NH1-SG 3.28Å; R465-C468 VanDerWaalsContact NH1-SG 3.44Å; R465-C468 PolarHBondContact O-N 3.01Å; R465-E470 VanDerWaalsContact CD-OE2 3.24Å; R465-E470 WeakPolarHBondContact CD-OE2 3.3Å; R465-E470 IonicContact CZ-OE2 3.61Å; R465-E470 IonicContact NE-OE2 3.67Å; R465-E470 IonicContact NH1-OE2 2.78Å; R465-E470 PolarHBondContact NH1-OE2 3.24Å
466	P	98.8	Very high	98.8	Very high	5 Å²	5	11.9 Å²	11.9	3%	0.032	7%	0.067	C	C	.	.	S	Bend	trans	-54.6	-37.3	-179.4	-29.7	36.7	0	0	0	114.7	R149 K155 L158 D159 E357	R149-P466 PolarHBondContact NH1-O 2.8Å; K155-P466 HydrophobicContact CB-CB 4.12Å; K155-P466 HydrophobicContact CD-CB 3.96Å; K155-P466 WeakPolarHBondContact O-CB 3.41Å; L158-P466 HydrophobicContact CB-CB 4.33Å; L158-P466 HydrophobicContact CB-CG 4.11Å; L158-P466 HydrophobicContact CD2-CB 4.36Å; L158-P466 HydrophobicContact CD2-CG 3.99Å; L158-P466 HydrophobicContact CG-CG 3.98Å; D159-P466 HydrophobicContact CB-CB 4.18Å; D159-P466 HydrophobicContact CB-CG 4.16Å; E357-P466 HydrophobicContact CG-CB 4.36Å; E357-P466 HydrophobicContact CG-CG 4.12Å
467	T	98.8	Very high	98.8	Very high	19 Å²	19	14 Å²	14	12%	0.117	8%	0.078	C	C	.	.	S	Bend	trans	-89.9	-29.3	-176	61	0	0	0	0	114.3	K155 K156 D159 R465	K155-T467 HydrophobicContact CB-CG2 4.25Å; K156-T467 HydrophobicContact CG-CG2 4.08Å; D159-T467 HydrophobicContact CB-CG2 3.88Å; D159-T467 WeakPolarHBondContact OD2-CB 3.48Å; D159-T467 WeakPolarHBondContact OD2-CG2 3.47Å; D159-T467 PolarHBondContact OD2-N 3.36Å; D159-T467 PolarHBondContact OD2-OG1 2.98Å; R465-T467 VanDerWaalsContact C-N 3.26Å; R465-T467 PolarHBondContact O-N 3.32Å
468	C	98.8	Very high	98.8	Very high	11 Å²	11	15.1 Å²	15.1	7%	0.074	8%	0.083	C	C	.	.			trans	-160.2	170	-173.4	62.4	0	0	0	0	111.5	C135 Y137 R465	C135-C468 WeakPolarHBondContact O-CB 3.31Å; Y137-C468 VanDerWaalsContact CE2-C 3.45Å; Y137-C468 PolarHBondContact OH-O 3.24Å; R465-C468 CarbonylContact C-O 3.49Å; R465-C468 WeakPolarHBondContact CA-O 3.36Å; R465-C468 VanDerWaalsContact CB-O 3.3Å; R465-C468 WeakPolarHBondContact CB-O 3.4Å; R465-C468 PolarHBondContact N-O 3.41Å; R465-C468 VanDerWaalsContact N-O 3.13Å; R465-C468 PolarHBondContact NH1-SG 3.28Å; R465-C468 VanDerWaalsContact NH1-SG 3.44Å; R465-C468 PolarHBondContact O-N 3.01Å
469	K	98.9	Very high	98.8	Very high	4 Å²	4	15.5 Å²	15.5	2%	0.017	9%	0.085	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.7	124.5	165.8	176.5	172.8	56.6	-172	0	108.4	C135 Y137 I288 K289 A291 I462 L464	C135-K469 HydrophobicContact CB-CB 4.42Å; C135-K469 PolarHBondContact N-O 2.97Å; C135-K469 PolarHBondContact O-N 3.14Å; Y137-K469 HydrophobicContact CD1-CB 4.02Å; Y137-K469 HydrophobicContact CE1-CB 3.71Å; I288-K469 WeakPolarHBondContact O-CE 3.43Å; I288-K469 PolarHBondContact O-NZ 2.96Å; K289-K469 PolarHBondContact O-NZ 3.38Å; A291-K469 WeakPolarHBondContact O-CD 3.46Å; A291-K469 PolarHBondContact O-NZ 3.04Å; I462-K469 HydrophobicContact CD1-CD 4.18Å; L464-K469 HydrophobicContact CD2-CD 4.33Å; L464-K469 HydrophobicContact CD2-CG 4.22Å
470	E	98.9	Very high	98.8	Very high	0 Å²	0	16.3 Å²	16.3	0%	0	9%	0.089	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.6	115.9	177.1	-175.7	177.4	168.4	0	0	110.1	K131 G132 Q133 E134 R170 I462 L463 R465 V472	K131-E470 WeakPolarHBondContact CA-OE1 3.4Å; G132-E470 PolarHBondContact N-OE1 3.36Å; Q133-E470 CarbonylContact O-C 3.46Å; Q133-E470 WeakPolarHBondContact O-CA 3.3Å; E134-E470 HydrophobicContact CG-CG 4.39Å; R170-E470 IonicContact CZ-OE1 2.73Å; R170-E470 IonicContact CZ-OE2 3.28Å; R170-E470 IonicContact NE-OE1 2.86Å; R170-E470 PolarHBondContact NE-OE1 3.22Å; R170-E470 IonicContact NE-OE2 3.07Å; R170-E470 PolarHBondContact NE-OE2 2.82Å; R170-E470 IonicContact NH2-OE1 3.25Å; R170-E470 IonicContact NH2-OE2 3.31Å; R170-E470 PolarHBondContact NH2-OE2 3.06Å; I462-E470 CarbonylContact C-O 3.48Å; I462-E470 WeakPolarHBondContact CA-O 3.47Å; L463-E470 HydrophobicContact CB-CB 4.27Å; L463-E470 HydrophobicContact CD1-CB 4.42Å; L463-E470 PolarHBondContact N-O 3.39Å; L463-E470 PolarHBondContact O-N 3.49Å; R465-E470 VanDerWaalsContact CD-OE2 3.24Å; R465-E470 WeakPolarHBondContact CD-OE2 3.3Å; R465-E470 IonicContact CZ-OE2 3.61Å; R465-E470 IonicContact NE-OE2 3.67Å; R465-E470 IonicContact NH1-OE2 2.78Å; R465-E470 PolarHBondContact NH1-OE2 3.24Å; E470-V472 HydrophobicContact CG-CB 4.27Å; E470-V472 PolarHBondContact O-N 3.07Å
471	V	98.9	Very high	98.8	Very high	0 Å²	0	17.1 Å²	17.1	0%	0	9%	0.094	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-80.6	77.6	169.3	-167.2	0	0	0	0	107.5	Q133 I288 H460 I462 S473 R474	Q133-V471 HydrophobicContact CB-CB 4.22Å; Q133-V471 PolarHBondContact N-O 3.45Å; Q133-V471 PolarHBondContact O-N 3.13Å; I288-V471 HydrophobicContact CD1-CG1 4.44Å; I288-V471 HydrophobicContact CG2-CG1 4.41Å; I288-V471 HydrophobicContact CG2-CG2 3.55Å; H460-V471 HydrophobicContact CB-CG1 3.85Å; I462-V471 HydrophobicContact CG2-CB 4.33Å; I462-V471 HydrophobicContact CG2-CG1 4.08Å; I462-V471 HydrophobicContact CG2-CG2 4.14Å; V471-S473 PolarHBondContact O-N 2.98Å; V471-R474 HydrophobicContact CB-CB 4.13Å; V471-R474 HydrophobicContact CG1-CB 3.9Å; V471-R474 VanDerWaalsContact O-CB 3.25Å; V471-R474 WeakPolarHBondContact O-CB 3.47Å; V471-R474 PolarHBondContact O-N 3.02Å; V471-R474 VanDerWaalsContact O-N 3.1Å
472	V	98.9	Very high	98.8	Very high	0 Å²	0	18.1 Å²	18.1	0%	0	10%	0.099	C	C	.	.	T	Hydrogen-bonded Turn	trans	-61.7	-31.6	-166.1	64.8	0	0	0	0	112.9	F169 R170 A173 R177 I261 T461 L463 E470	F169-V472 HydrophobicContact CB-CG2 4.14Å; R170-V472 HydrophobicContact CB-CG2 4.5Å; R170-V472 HydrophobicContact CG-CG2 3.81Å; A173-V472 HydrophobicContact CB-CG2 3.98Å; A173-V472 VanDerWaalsContact CB-O 3.29Å; A173-V472 WeakPolarHBondContact CB-O 3.47Å; R177-V472 PolarHBondContact NH1-O 3.45Å; I261-V472 HydrophobicContact CD1-CG1 3.52Å; I261-V472 HydrophobicContact CD1-CG2 4.49Å; T461-V472 HydrophobicContact CG2-CG1 3.88Å; T461-V472 WeakPolarHBondContact O-CG1 3.28Å; T461-V472 PolarHBondContact O-N 3.44Å; L463-V472 HydrophobicContact CD1-CB 3.9Å; L463-V472 HydrophobicContact CD1-CG1 4.24Å; L463-V472 HydrophobicContact CD1-CG2 4.11Å; L463-V472 HydrophobicContact CD2-CG1 4.11Å; L463-V472 HydrophobicContact CG-CB 4Å; L463-V472 HydrophobicContact CG-CG1 3.92Å; E470-V472 HydrophobicContact CG-CB 4.27Å; E470-V472 PolarHBondContact O-N 3.07Å
473	S	98.9	Very high	98.7	Very high	0 Å²	0	19.2 Å²	19.2	0%	0	11%	0.105	C	C	.	.	T	Hydrogen-bonded Turn	trans	-89.5	-1.2	-179.5	60.6	0	0	0	0	114.6	R180 H460 T461 V471	R180-S473 PolarHBondContact NH1-O 3.5Å; R180-S473 PolarHBondContact NH2-O 2.87Å; H460-S473 WeakPolarHBondContact CA-OG 3.33Å; H460-S473 VanDerWaalsContact CB-OG 3.3Å; H460-S473 WeakPolarHBondContact CB-OG 3.43Å; H460-S473 PolarHBondContact ND1-O 3Å; H460-S473 PolarHBondContact ND1-OG 3.3Å; T461-S473 PolarHBondContact N-OG 3Å; T461-S473 PolarHBondContact O-OG 3.44Å; V471-S473 PolarHBondContact O-N 2.98Å
474	R	98.9	Very high	98.7	Very high	35 Å²	35	20.5 Å²	20.5	13%	0.132	11%	0.112	C	C	.	.			trans	-57.4	142	177	-172.1	68.6	75	-168.1	-1.7	110.9	Q133 R177 N285 H460 V471 Y478	Q133-R474 HydrophobicContact CB-CB 4.03Å; Q133-R474 HydrophobicContact CB-CG 4.03Å; R177-R474 WeakPolarHBondContact CD-O 3.38Å; R177-R474 PolarHBondContact NH1-O 3.11Å; N285-R474 VanDerWaalsContact OD1-CZ 3.31Å; N285-R474 PolarHBondContact OD1-NH1 3.4Å; N285-R474 PolarHBondContact OD1-NH2 3.37Å; H460-R474 PolarHBondContact CD2-NH1 3Å; H460-R474 VanDerWaalsContact CD2-NH1 3.28Å; H460-R474 PolarHBondContact NE2-NH1 3.23Å; V471-R474 HydrophobicContact CB-CB 4.13Å; V471-R474 HydrophobicContact CG1-CB 3.9Å; V471-R474 VanDerWaalsContact O-CB 3.25Å; V471-R474 WeakPolarHBondContact O-CB 3.47Å; V471-R474 PolarHBondContact O-N 3.02Å; V471-R474 VanDerWaalsContact O-N 3.1Å; R474-Y478 WeakPolarHBondContact CD-O 3.5Å; R474-Y478 PolarHBondContact NH1-OXT 3.14Å
475	G	98.5	Very high	98.7	Very high	23 Å²	23	21.9 Å²	21.9	24%	0.237	12%	0.12	C	C	.	.			trans	-133.4	-169.7	174.5	0	0	0	0	0	113.1	R180 D477 Y478	R180-G475 VanDerWaalsContact NH2-N 3.19Å; G475-D477 WeakPolarHBondContact CA-OD1 3.35Å; G475-Y478 PolarHBondContact N-O 3.35Å
476	D	98.1	Very high	98.7	Very high	133 Å²	133	23 Å²	23	71%	0.711	13%	0.127	S	C	*	.	S	Bend	trans	-75.5	-11.5	172.3	58.1	-14.4	0	0	0	112.7	K181	K181-D476 IonicContact NZ-OD2 3.88Å; K181-D476 PolarHBondContact NZ-OD2 3.04Å
477	D	98.4	Very high	98.7	Very high	45 Å²	45	24.5 Å²	24.5	24%	0.241	14%	0.135	C	C	.	.			trans	-95.9	-45.9	-172	48.8	-2.7	0	0	0	114.3	R180 M184 G475	R180-D477 WeakPolarHBondContact CD-OD2 3.29Å; R180-D477 WeakPolarHBondContact CG-OD2 3.38Å; R180-D477 IonicContact CZ-OD1 3.41Å; R180-D477 IonicContact CZ-OD2 3.83Å; R180-D477 IonicContact NE-OD1 3.38Å; R180-D477 PolarHBondContact NE-OD1 3.22Å; R180-D477 IonicContact NE-OD2 2.95Å; R180-D477 PolarHBondContact NE-OD2 3.33Å; R180-D477 IonicContact NH2-OD1 2.69Å; R180-D477 PolarHBondContact NH2-OD1 3.46Å; R180-D477 IonicContact NH2-OD2 2.78Å; M184-D477 HydrophobicContact CE-CB 4.01Å; M184-D477 WeakPolarHBondContact CE-OD2 3.37Å; G475-D477 WeakPolarHBondContact CA-OD1 3.35Å
478	Y	98.4	Very high	98.7	Very high	24 Å²	24	25 Å²	25	9%	0.094	14%	0.137	C	C	.	.			trans	-154	0	174.7	61.7	-82.3	0	0	0	113.6	R180 C263 A264 F265 F458 H460 R474 G475	R180-Y478 WeakPolarHBondContact CD-OH 3.29Å; C263-Y478 PolarHBondContact SG-OH 3.42Å; A264-Y478 VanDerWaalsContact O-CE2 3.27Å; A264-Y478 WeakPolarHBondContact O-CE2 3.3Å; F265-Y478 HydrophobicContact CB-CD1 4.17Å; F265-Y478 HydrophobicContact CB-CE1 3.68Å; F265-Y478 HydrophobicContact CB-CE2 4.3Å; F265-Y478 HydrophobicContact CD1-CE1 4.01Å; F265-Y478 AromaticContact CG-CE1 3.99Å; F265-Y478 HydrophobicContact CG-CE1 3.99Å; F458-Y478 AromaticContact CD1-CD2 3.92Å; F458-Y478 HydrophobicContact CD1-CD2 3.92Å; F458-Y478 HydrophobicContact CD1-CE2 4.47Å; F458-Y478 HydrophobicContact CD1-CG 4.21Å; F458-Y478 HydrophobicContact CE1-CD2 4.44Å; F458-Y478 HydrophobicContact CE1-CG 4.27Å; H460-Y478 AromaticContact CE1-CD2 3.51Å; H460-Y478 AromaticContact CE1-CE2 3.49Å; H460-Y478 VanDerWaalsContact CE1-CE2 3.49Å; H460-Y478 WeakPolarHBondContact CE1-CE2 3.41Å; H460-Y478 PolarHBondContact CE1-O 2.93Å; H460-Y478 AromaticContact NE2-CD2 3.27Å; H460-Y478 VanDerWaalsContact NE2-CD2 3.27Å; H460-Y478 WeakPolarHBondContact NE2-CD2 3.46Å; H460-Y478 AromaticContact NE2-CE2 3.68Å; H460-Y478 PolarHBondContact NE2-O 3.44Å; R474-Y478 WeakPolarHBondContact CD-O 3.5Å; R474-Y478 PolarHBondContact NH1-OXT 3.14Å; G475-Y478 PolarHBondContact N-O 3.35Å

Retrieved 478 of 478 residues in 2438.6 ms (Link to these results)

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