A0A5F8AEX1_MACMU Loading...

Protein-tyrosine sulfotransferase

Catalyzes the O-sulfation of tyrosine residues within acidic motifs of polypeptides, using 3'-phosphoadenylyl sulfate (PAPS) as cosubstrate.

AlphaFold DB , UniProt , Accession A0A5F8AEX1, Species MACMU (Macaca mulatta, Rhesus macaque), Gene TPST2, Length 420 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	45.1	Very low	35.8	Very low	235 Å²	235	157 Å²	157	100%	1.158	83%	0.827	S	S	*	*				0	76.5	0	-70.9	177.9	176.3	0	0	106.6
2	T	33.6	Very low	35.3	Very low	126 Å²	126	149.8 Å²	149.8	77%	0.773	82%	0.818	S	S	*	*			cis	57.2	95.9	34.1	55.8	0	0	0	0	115.6
3	R	34.3	Very low	35.1	Very low	231 Å²	231	155.2 Å²	155.2	87%	0.872	83%	0.829	S	S	*	*				158.8	112.2	121.1	-87.5	177.8	172.3	178.4	-2.1	108.6
4	D	33.9	Very low	34.8	Very low	130 Å²	130	160.8 Å²	160.8	70%	0.695	83%	0.833	S	S	*	*				68.5	118.6	68.5	-66.7	-37	0	0	0	114.5
5	F	33.8	Very low	34.5	Very low	196 Å²	196	158.1 Å²	158.1	86%	0.86	83%	0.832	S	S	*	*				160.1	132.5	101.2	-106.1	-76.7	0	0	0	111.8
6	S	31	Very low	34.3	Very low	107 Å²	107	159.6 Å²	159.6	75%	0.748	83%	0.833	S	S	*	*			trans	-82.8	-151.6	164.6	-59.5	0	0	0	0	111
7	P	53	Low	34.9	Very low	110 Å²	110	157.3 Å²	157.3	71%	0.714	83%	0.83	S	S	*	*				-116.2	-180	-96.4	35	-16.2	0	0	0	112.6
8	H	31.7	Very low	34.6	Very low	196 Å²	196	153.1 Å²	153.1	91%	0.907	83%	0.83	S	S	*	*			trans	-141.6	127.5	160.6	-104.5	-64.1	0	0	0	114.5
9	F	32.2	Very low	34.4	Very low	196 Å²	196	149.1 Å²	149.1	86%	0.86	83%	0.829	S	S	*	*			trans	-75.4	153.3	166.7	-103.9	-104.7	0	0	0	112.4
10	A	33.7	Very low	34.3	Very low	87 Å²	87	150.2 Å²	150.2	72%	0.719	83%	0.832	S	S	*	*			trans	-162	106	139.1	0	0	0	0	0	108.1
11	S	32	Very low	34.8	Very low	113 Å²	113	148.7 Å²	148.7	79%	0.79	83%	0.829	S	S	*	*				42	121.8	98	73.6	0	0	0	0	113.3
12	G	29.1	Very low	34.2	Very low	70 Å²	70	141.1 Å²	141.1	72%	0.722	80%	0.804	S	S	*	*			cis	134.9	133.7	25.8	0	0	0	0	0	106.8
13	K	33.5	Very low	34.1	Very low	221 Å²	221	142.5 Å²	142.5	96%	0.961	81%	0.807	S	S	*	*			trans	-177.7	140.8	141.8	-102.2	172.1	-172	-176.6	0	111.2
14	R	30.4	Very low	34	Very low	233 Å²	233	140 Å²	140	88%	0.879	81%	0.809	S	S	*	*			trans	-112	161.3	-173.3	-156.8	-174.1	-127.8	-160.8	1.4	107.7
15	C	29.7	Very low	33.8	Very low	121 Å²	121	138.4 Å²	138.4	82%	0.818	81%	0.809	S	S	*	*			trans	124.1	127.6	147.4	-68.3	0	0	0	0	117
16	E	31.6	Very low	33.7	Very low	181 Å²	181	135.9 Å²	135.9	85%	0.846	80%	0.803	S	S	*	*			trans	-75.1	-150.7	173.9	-50.5	-172.8	139.5	0	0	112.8
17	P	45.2	Very low	33.7	Very low	121 Å²	121	139.7 Å²	139.7	79%	0.786	81%	0.806	S	S	*	*				-123.4	178.2	-69.4	28.4	-8.4	0	0	0	111.9
18	G	29.8	Very low	33.2	Very low	81 Å²	81	139.8 Å²	139.8	84%	0.835	81%	0.807	S	S	*	*			trans	147.3	140.3	162.9	0	0	0	0	0	111.4
19	G	30	Very low	33.2	Very low	78 Å²	78	139.9 Å²	139.9	80%	0.804	81%	0.808	S	S	*	*			cis	-175.5	159.7	1.2	0	0	0	0	0	107.6
20	L	33.2	Very low	33.2	Very low	170 Å²	170	139.7 Å²	139.7	89%	0.89	81%	0.807	S	S	*	*			trans	-72.7	154.1	169.7	-94.4	133	0	0	0	111.3
21	P	43.3	Very low	33.1	Very low	120 Å²	120	146.5 Å²	146.5	78%	0.779	81%	0.814	S	S	*	*				-141.5	140.6	97.2	26.3	-5.9	0	0	0	112.8
22	A	33.3	Very low	33.2	Very low	75 Å²	75	147.8 Å²	147.8	62%	0.62	82%	0.816	S	S	*	*				72.5	116.6	78.1	0	0	0	0	0	116.9
23	N	30.8	Very low	33.3	Very low	156 Å²	156	151.6 Å²	151.6	83%	0.834	82%	0.82	S	S	*	*			trans	66.7	122.5	145.7	-71.1	-27.3	0	0	0	122
24	L	33.4	Very low	33.3	Very low	178 Å²	178	152 Å²	152	93%	0.932	82%	0.815	S	S	*	*				-156.1	133	123.2	-104.2	150.4	0	0	0	111.3
25	S	29.2	Very low	34.1	Very low	97 Å²	97	147 Å²	147	68%	0.678	81%	0.813	S	S	*	*			trans	-114.1	174	-176.4	-168.5	0	0	0	0	109.4
26	L	31.7	Very low	34.2	Very low	143 Å²	143	145.1 Å²	145.1	75%	0.749	81%	0.814	S	S	*	*			trans	94.9	136.5	167.6	-56	156	0	0	0	115.3
27	K	32.1	Very low	34.3	Very low	186 Å²	186	144.7 Å²	144.7	81%	0.809	82%	0.816	S	S	*	*			cis	-175.3	171	-16.6	-120	-173	-172.1	173.8	0	106.1
28	P	41.5	Very low	34.6	Very low	112 Å²	112	143.7 Å²	143.7	73%	0.727	81%	0.81	S	S	*	*			trans	-96.3	167.1	-162	38.6	-37.2	0	0	0	114.9
29	Q	32.6	Very low	34.8	Very low	198 Å²	198	150.7 Å²	150.7	93%	0.925	81%	0.811	S	S	*	*			trans	-109.9	118.8	162.9	-84.4	-178.2	-11.9	0	0	111.8
30	K	31.6	Very low	35	Very low	193 Å²	193	154.2 Å²	154.2	84%	0.839	81%	0.811	S	S	*	*			trans	-89.5	151.6	153.1	-72.5	178.1	173.6	176.3	0	106.5
31	R	30.7	Very low	35.6	Very low	230 Å²	230	157.9 Å²	157.9	87%	0.868	81%	0.813	S	S	*	*				172.3	154.4	69.2	-130.2	170.2	-166.5	-172.4	4	104.1
32	V	34.7	Very low	35.6	Very low	139 Å²	139	157.9 Å²	157.9	84%	0.842	81%	0.813	S	S	*	*				-173.9	147.2	84.5	164.6	0	0	0	0	108.4
33	L	30.7	Very low	36	Very low	151 Å²	151	159.3 Å²	159.3	79%	0.791	82%	0.818	S	S	*	*			trans	-109.9	152.3	-178.5	-152.1	100.9	0	0	0	109.3
34	R	34.9	Very low	36.7	Very low	228 Å²	228	159.8 Å²	159.8	86%	0.86	82%	0.817	S	S	*	*			trans	152.3	164.5	137.7	-86.2	-169.6	-178.1	-159	2.6	113.5
35	P	45.5	Very low	37.7	Very low	129 Å²	129	162.4 Å²	162.4	84%	0.838	82%	0.815	S	S	*	*				-133.2	177.9	-89	28	-1.5	0	0	0	113.5
36	G	32	Very low	39	Very low	81 Å²	81	163 Å²	163	84%	0.835	81%	0.81	S	S	*	*			trans	176.2	119.9	169.9	0	0	0	0	0	115.5
37	L	33.4	Very low	40.5	Very low	172 Å²	172	159.3 Å²	159.3	90%	0.901	80%	0.796	S	S	*	*			trans	-81.3	-177.6	-168.7	-110.9	140.6	0	0	0	114
38	P	53	Low	42.1	Very low	100 Å²	100	155.6 Å²	155.6	65%	0.649	79%	0.789	S	S	*	*				-113.4	174.5	-121	43.9	-29.6	0	0	0	114.6
39	R	32.9	Very low	43.3	Very low	228 Å²	228	159.9 Å²	159.9	86%	0.86	79%	0.791	S	S	*	*			trans	172.6	153.2	130.7	-99.7	174.6	-177.1	-157.6	1.5	114.4
40	L	34.9	Very low	44.9	Very low	153 Å²	153	159.3 Å²	159.3	80%	0.801	78%	0.78	S	S	*	*			trans	87.5	104.2	152.8	-72.8	142.5	0	0	0	118.8
41	R	46.3	Very low	46.9	Very low	246 Å²	246	153.7 Å²	153.7	93%	0.928	76%	0.762	S	S	*	*			trans	-59	137.8	158.2	-71.5	179.5	174.5	-178	-1.6	110.4
42	P	41.9	Very low	48.9	Very low	121 Å²	121	148.4 Å²	148.4	79%	0.786	75%	0.75	S	S	*	*			trans	-109	138.2	152.2	11.8	8.5	0	0	0	110.8
43	S	43.1	Very low	51	Low	105 Å²	105	147.5 Å²	147.5	73%	0.734	74%	0.74	S	S	*	*			trans	-55.4	136.8	174.1	45.9	0	0	0	0	112.8	R45	S43-R45 PolarHBondContact O-N 2.98Å
44	M	43.6	Very low	53.1	Low	165 Å²	165	143.2 Å²	143.2	81%	0.813	73%	0.726	S	S	*	*			trans	-67.7	100	170.7	-83.8	171	58.6	0	0	110	L46	M44-L46 HydrophobicContact CE-CD1 3.83Å
45	R	55.8	Low	55.1	Low	234 Å²	234	135 Å²	135	88%	0.883	71%	0.708	S	S	*	*			trans	-86	105.6	152.6	-71.2	-172.5	-175.7	-155.5	1.5	107.2	S43 S47	S43-R45 PolarHBondContact O-N 2.98Å; R45-S47 PolarHBondContact O-N 3.5Å; R45-S47 VanDerWaalsContact O-N 3.11Å
46	L	55.6	Low	56.8	Low	108 Å²	108	130.5 Å²	130.5	57%	0.565	68%	0.684	S	S	*	*			trans	-62.5	113.3	171.4	-90.4	96.2	0	0	0	108.5	M44 V48 V51	M44-L46 HydrophobicContact CE-CD1 3.83Å; L46-V48 PolarHBondContact O-N 3.32Å; L46-V51 HydrophobicContact CB-CG2 4.19Å; L46-V51 HydrophobicContact CD2-CG2 4Å
47	S	64.6	Low	59.2	Low	66 Å²	66	130.1 Å²	130.1	46%	0.462	67%	0.668	S	S	.	*			trans	-59.9	134.9	169.8	171.7	0	0	0	0	109.5	R45 R49 R50 V51	R45-S47 PolarHBondContact O-N 3.5Å; R45-S47 VanDerWaalsContact O-N 3.11Å; S47-R49 PolarHBondContact O-N 2.93Å; S47-R50 WeakPolarHBondContact O-CB 3.26Å; S47-R50 PolarHBondContact O-N 2.81Å; S47-V51 PolarHBondContact O-N 2.99Å
48	V	65.2	Low	61.6	Low	109 Å²	109	124.3 Å²	124.3	66%	0.661	65%	0.645	S	S	*	*	H	α-helix	trans	-48.6	-32.4	176.9	178	0	0	0	0	112	L46 R50 V51 L52	L46-V48 PolarHBondContact O-N 3.32Å; V48-R50 PolarHBondContact O-N 3.09Å; V48-V51 PolarHBondContact O-N 3.32Å; V48-L52 HydrophobicContact CG1-CD1 3.97Å; V48-L52 HydrophobicContact CG1-CG 4.34Å; V48-L52 WeakPolarHBondContact O-CG 3.4Å; V48-L52 PolarHBondContact O-N 3.34Å
49	R	66.1	Low	63.1	Low	202 Å²	202	124.9 Å²	124.9	76%	0.762	64%	0.642	S	S	*	*	H	α-helix	trans	-60.2	-39.2	173.3	-92	-177.9	172	179.2	-2.2	113.8	S47 L53	S47-R49 PolarHBondContact O-N 2.93Å; R49-L53 WeakPolarHBondContact O-CB 3.48Å; R49-L53 PolarHBondContact O-N 2.79Å
50	R	67.4	Low	65.7	Low	185 Å²	185	118.7 Å²	118.7	70%	0.698	63%	0.629	S	S	*	*	H	α-helix	trans	-72.9	-33.1	178.6	-69.1	-174.5	178.6	-179.4	-0.3	111.8	S47 V48 A54	S47-R50 WeakPolarHBondContact O-CB 3.26Å; S47-R50 PolarHBondContact O-N 2.81Å; V48-R50 PolarHBondContact O-N 3.09Å; R50-A54 VanDerWaalsContact O-CB 3.29Å; R50-A54 WeakPolarHBondContact O-CB 3.31Å; R50-A54 PolarHBondContact O-N 2.87Å
51	V	72.3	Confident	68.2	Low	76 Å²	76	117 Å²	117	46%	0.461	62%	0.62	S	S	.	*	H	α-helix	trans	-68.8	-43.4	173.8	179.6	0	0	0	0	110.6	L46 S47 V48 A54 A55	L46-V51 HydrophobicContact CB-CG2 4.19Å; L46-V51 HydrophobicContact CD2-CG2 4Å; S47-V51 PolarHBondContact O-N 2.99Å; V48-V51 PolarHBondContact O-N 3.32Å; V51-A54 PolarHBondContact O-N 3.36Å; V51-A55 VanDerWaalsContact O-CB 3.29Å; V51-A55 WeakPolarHBondContact O-CB 3.17Å; V51-A55 PolarHBondContact O-N 2.94Å
52	L	72.9	Confident	70.2	Confident	119 Å²	119	108.9 Å²	108.9	62%	0.623	60%	0.598	S	S	*	*	H	α-helix	trans	-65.5	-38.8	175.7	-72.6	169.5	0	0	0	112.7	V48 A55 G56	V48-L52 HydrophobicContact CG1-CD1 3.97Å; V48-L52 HydrophobicContact CG1-CG 4.34Å; V48-L52 WeakPolarHBondContact O-CG 3.4Å; V48-L52 PolarHBondContact O-N 3.34Å; L52-A55 PolarHBondContact O-N 2.99Å; L52-G56 PolarHBondContact O-N 3.06Å
53	L	78.1	Confident	72.4	Confident	119 Å²	119	107.1 Å²	107.1	62%	0.623	58%	0.581	S	S	*	*	H	α-helix	trans	-64.8	-44.8	172.9	-104	136.5	0	0	0	111.9	R49 G56 C57	R49-L53 WeakPolarHBondContact O-CB 3.48Å; R49-L53 PolarHBondContact O-N 2.79Å; L53-G56 PolarHBondContact O-N 3.4Å; L53-C57 WeakPolarHBondContact O-CB 3.43Å; L53-C57 PolarHBondContact O-N 3.18Å; L53-C57 PolarHBondContact O-SG 3.15Å; L53-C57 VanDerWaalsContact O-SG 3.36Å
54	A	76	Confident	74.5	Confident	62 Å²	62	105 Å²	105	51%	0.512	57%	0.57	S	S	.	*	H	α-helix	trans	-64	-41	176.7	0	0	0	0	0	111.7	R50 V51 C57 A58	R50-A54 VanDerWaalsContact O-CB 3.29Å; R50-A54 WeakPolarHBondContact O-CB 3.31Å; R50-A54 PolarHBondContact O-N 2.87Å; V51-A54 PolarHBondContact O-N 3.36Å; A54-C57 PolarHBondContact O-N 3.41Å; A54-A58 VanDerWaalsContact O-CB 3.31Å; A54-A58 WeakPolarHBondContact O-CB 3.44Å; A54-A58 PolarHBondContact O-N 2.82Å
55	A	76.6	Confident	76.6	Confident	56 Å²	56	101.2 Å²	101.2	46%	0.463	56%	0.556	S	S	.	*	H	α-helix	trans	-65.7	-40.4	175.1	0	0	0	0	0	112	V51 L52 A58 L59	V51-A55 VanDerWaalsContact O-CB 3.29Å; V51-A55 WeakPolarHBondContact O-CB 3.17Å; V51-A55 PolarHBondContact O-N 2.94Å; L52-A55 PolarHBondContact O-N 2.99Å; A55-A58 PolarHBondContact O-N 2.8Å; A55-L59 WeakPolarHBondContact O-CB 3.41Å; A55-L59 PolarHBondContact O-N 3.32Å
56	G	81.8	Confident	78	Confident	34 Å²	34	95.1 Å²	95.1	35%	0.351	54%	0.538	S	S	.	.	H	α-helix	trans	-63.7	-45.1	174	0	0	0	0	0	112.5	L52 L53 A58 L59 V60	L52-G56 PolarHBondContact O-N 3.06Å; L53-G56 PolarHBondContact O-N 3.4Å; G56-A58 VanDerWaalsContact C-N 3.34Å; G56-A58 PolarHBondContact O-N 2.97Å; G56-L59 PolarHBondContact O-N 2.75Å; G56-V60 WeakPolarHBondContact O-CG2 3.18Å; G56-V60 PolarHBondContact O-N 3.25Å
57	C	81.9	Confident	79.5	Confident	73 Å²	73	95.5 Å²	95.5	49%	0.493	54%	0.539	S	S	.	.	H	α-helix	trans	-63.2	-39.5	174.2	-72.4	0	0	0	0	112.1	L53 A54 V60 L61	L53-C57 WeakPolarHBondContact O-CB 3.43Å; L53-C57 PolarHBondContact O-N 3.18Å; L53-C57 PolarHBondContact O-SG 3.15Å; L53-C57 VanDerWaalsContact O-SG 3.36Å; A54-C57 PolarHBondContact O-N 3.41Å; C57-V60 PolarHBondContact O-N 3.05Å; C57-L61 WeakPolarHBondContact O-CB 3.49Å; C57-L61 PolarHBondContact O-N 3.47Å
58	A	83	Confident	80.3	Confident	50 Å²	50	93.9 Å²	93.9	41%	0.413	53%	0.533	S	S	.	.	H	α-helix	trans	-64.4	-41.4	175.1	0	0	0	0	0	111.6	A54 A55 G56 L61 V62	A54-A58 VanDerWaalsContact O-CB 3.31Å; A54-A58 WeakPolarHBondContact O-CB 3.44Å; A54-A58 PolarHBondContact O-N 2.82Å; A55-A58 PolarHBondContact O-N 2.8Å; G56-A58 VanDerWaalsContact C-N 3.34Å; G56-A58 PolarHBondContact O-N 2.97Å; A58-L61 PolarHBondContact O-N 2.99Å; A58-V62 VanDerWaalsContact O-CG2 3.29Å; A58-V62 WeakPolarHBondContact O-CG2 3.47Å; A58-V62 PolarHBondContact O-N 3.27Å
59	L	85.1	Confident	81.1	Confident	112 Å²	112	94 Å²	94	59%	0.586	53%	0.527	S	S	*	.	H	α-helix	trans	-63.2	-44.2	176	-167.4	78.1	0	0	0	111.5	A55 G56 L61 V62 L63	A55-L59 WeakPolarHBondContact O-CB 3.41Å; A55-L59 PolarHBondContact O-N 3.32Å; G56-L59 PolarHBondContact O-N 2.75Å; L59-L61 VanDerWaalsContact C-N 3.33Å; L59-L61 PolarHBondContact O-N 3.42Å; L59-V62 PolarHBondContact O-N 3.31Å; L59-L63 HydrophobicContact CG-CD1 4.23Å; L59-L63 WeakPolarHBondContact O-CB 3.34Å; L59-L63 VanDerWaalsContact O-CG 3.29Å; L59-L63 WeakPolarHBondContact O-CG 3.49Å; L59-L63 PolarHBondContact O-N 3.25Å
60	V	87.2	Confident	81.7	Confident	98 Å²	98	90.8 Å²	90.8	59%	0.594	52%	0.52	S	S	*	.	H	α-helix	trans	-62.7	-40.6	176.2	171.7	0	0	0	0	111.2	G56 C57 L63 A64	G56-V60 WeakPolarHBondContact O-CG2 3.18Å; G56-V60 PolarHBondContact O-N 3.25Å; C57-V60 PolarHBondContact O-N 3.05Å; V60-L63 PolarHBondContact O-N 3.34Å; V60-A64 VanDerWaalsContact O-CB 3.28Å; V60-A64 WeakPolarHBondContact O-CB 3.26Å; V60-A64 PolarHBondContact O-N 3.39Å
61	L	87.8	Confident	82.3	Confident	116 Å²	116	86 Å²	86	61%	0.607	51%	0.512	S	S	*	.	H	α-helix	trans	-63	-45	174.7	-88.4	158.5	0	0	0	112	C57 A58 L59 A64 V65	C57-L61 WeakPolarHBondContact O-CB 3.49Å; C57-L61 PolarHBondContact O-N 3.47Å; A58-L61 PolarHBondContact O-N 2.99Å; L59-L61 VanDerWaalsContact C-N 3.33Å; L59-L61 PolarHBondContact O-N 3.42Å; L61-A64 PolarHBondContact O-N 3.37Å; L61-V65 WeakPolarHBondContact O-CB 3.34Å; L61-V65 VanDerWaalsContact O-CG2 3.26Å; L61-V65 WeakPolarHBondContact O-CG2 3.32Å; L61-V65 PolarHBondContact O-N 3.43Å
62	V	87.8	Confident	82.4	Confident	77 Å²	77	88.5 Å²	88.5	47%	0.467	52%	0.522	S	S	.	.	H	α-helix	trans	-62.9	-44.4	177.6	170.3	0	0	0	0	110.8	A58 L59 V65 Q66	A58-V62 VanDerWaalsContact O-CG2 3.29Å; A58-V62 WeakPolarHBondContact O-CG2 3.47Å; A58-V62 PolarHBondContact O-N 3.27Å; L59-V62 PolarHBondContact O-N 3.31Å; V62-V65 PolarHBondContact O-N 3.26Å; V62-Q66 HydrophobicContact CG1-CG 4.49Å; V62-Q66 WeakPolarHBondContact O-CB 3.48Å; V62-Q66 WeakPolarHBondContact O-CG 3.35Å; V62-Q66 PolarHBondContact O-N 3.18Å
63	L	88.8	Confident	82.4	Confident	83 Å²	83	88.8 Å²	88.8	44%	0.435	52%	0.52	S	S	.	.	H	α-helix	trans	-64.2	-40.9	176.8	-71.2	170.9	0	0	0	111.8	L59 V60 V65 Q66 L67	L59-L63 HydrophobicContact CG-CD1 4.23Å; L59-L63 WeakPolarHBondContact O-CB 3.34Å; L59-L63 VanDerWaalsContact O-CG 3.29Å; L59-L63 WeakPolarHBondContact O-CG 3.49Å; L59-L63 PolarHBondContact O-N 3.25Å; V60-L63 PolarHBondContact O-N 3.34Å; L63-V65 VanDerWaalsContact C-N 3.34Å; L63-V65 PolarHBondContact O-N 3.12Å; L63-Q66 PolarHBondContact O-N 2.86Å; L63-L67 WeakPolarHBondContact O-CB 3.41Å; L63-L67 WeakPolarHBondContact O-CD1 3.41Å; L63-L67 PolarHBondContact O-N 3.45Å
64	A	87.6	Confident	81.9	Confident	60 Å²	60	87 Å²	87	50%	0.496	52%	0.516	S	S	.	.	H	α-helix	trans	-64.3	-38.1	175.7	0	0	0	0	0	112.1	V60 L61 G68	V60-A64 VanDerWaalsContact O-CB 3.28Å; V60-A64 WeakPolarHBondContact O-CB 3.26Å; V60-A64 PolarHBondContact O-N 3.39Å; L61-A64 PolarHBondContact O-N 3.37Å; A64-G68 PolarHBondContact O-N 3Å
65	V	88.1	Confident	81.5	Confident	86 Å²	86	93 Å²	93	52%	0.521	53%	0.526	S	S	.	.	H	α-helix	trans	-68	-43.1	174.8	170.7	0	0	0	0	111	L61 V62 L63 G68 Q69	L61-V65 WeakPolarHBondContact O-CB 3.34Å; L61-V65 VanDerWaalsContact O-CG2 3.26Å; L61-V65 WeakPolarHBondContact O-CG2 3.32Å; L61-V65 PolarHBondContact O-N 3.43Å; V62-V65 PolarHBondContact O-N 3.26Å; L63-V65 VanDerWaalsContact C-N 3.34Å; L63-V65 PolarHBondContact O-N 3.12Å; V65-G68 PolarHBondContact O-N 3.39Å; V65-Q69 WeakPolarHBondContact O-CG 3.34Å; V65-Q69 PolarHBondContact O-N 3.45Å
66	Q	84.6	Confident	80.9	Confident	107 Å²	107	93.4 Å²	93.4	50%	0.5	53%	0.528	S	S	.	.	H	α-helix	trans	-64.7	-43.4	177.1	-77	179.1	-27.8	0	0	112.2	V62 L63 G68 Q69 Q70	V62-Q66 HydrophobicContact CG1-CG 4.49Å; V62-Q66 WeakPolarHBondContact O-CB 3.48Å; V62-Q66 WeakPolarHBondContact O-CG 3.35Å; V62-Q66 PolarHBondContact O-N 3.18Å; L63-Q66 PolarHBondContact O-N 2.86Å; Q66-G68 VanDerWaalsContact C-N 3.34Å; Q66-Q69 PolarHBondContact O-N 2.96Å; Q66-Q70 PolarHBondContact O-N 2.9Å
67	L	86.2	Confident	80.1	Confident	115 Å²	115	96.4 Å²	96.4	60%	0.602	54%	0.54	S	S	*	.	H	α-helix	trans	-62.9	-40.8	172	-96	131.3	0	0	0	111.5	L63 Q69 Q70 V71	L63-L67 WeakPolarHBondContact O-CB 3.41Å; L63-L67 WeakPolarHBondContact O-CD1 3.41Å; L63-L67 PolarHBondContact O-N 3.45Å; L67-Q69 PolarHBondContact O-N 3.48Å; L67-Q70 PolarHBondContact O-N 3.44Å; L67-V71 WeakPolarHBondContact O-CB 3.48Å; L67-V71 VanDerWaalsContact O-CG2 3.26Å; L67-V71 WeakPolarHBondContact O-CG2 3.3Å; L67-V71 PolarHBondContact O-N 3.25Å
68	G	82.6	Confident	79	Confident	32 Å²	32	98.3 Å²	98.3	33%	0.33	55%	0.545	S	S	.	.	H	α-helix	trans	-61.2	-41.9	174.6	0	0	0	0	0	112.7	A64 V65 Q66 V71 L72	A64-G68 PolarHBondContact O-N 3Å; V65-G68 PolarHBondContact O-N 3.39Å; Q66-G68 VanDerWaalsContact C-N 3.34Å; G68-V71 PolarHBondContact O-N 2.95Å; G68-L72 WeakPolarHBondContact O-CD1 3.31Å; G68-L72 PolarHBondContact O-N 3.18Å
69	Q	81.5	Confident	77.7	Confident	113 Å²	113	98.8 Å²	98.8	53%	0.528	55%	0.548	S	S	.	.	H	α-helix	trans	-65.4	-44.9	175	-79.9	178.1	-45.6	0	0	111.6	V65 Q66 L67 V71 L72 E73	V65-Q69 WeakPolarHBondContact O-CG 3.34Å; V65-Q69 PolarHBondContact O-N 3.45Å; Q66-Q69 PolarHBondContact O-N 2.96Å; L67-Q69 PolarHBondContact O-N 3.48Å; Q69-V71 VanDerWaalsContact C-N 3.33Å; Q69-V71 PolarHBondContact O-N 3.31Å; Q69-L72 WeakPolarHBondContact O-CB 3.24Å; Q69-L72 PolarHBondContact O-N 2.94Å; Q69-L72 VanDerWaalsContact O-N 3.15Å; Q69-E73 WeakPolarHBondContact O-CG 3.46Å; Q69-E73 PolarHBondContact O-N 3.42Å
70	Q	78.6	Confident	75.8	Confident	133 Å²	133	95.9 Å²	95.9	62%	0.621	55%	0.545	S	S	*	.	H	α-helix	trans	-64.7	-35.4	175.5	-74.7	-150.3	-22.2	0	0	112.9	Q66 L67 E73 C74	Q66-Q70 PolarHBondContact O-N 2.9Å; L67-Q70 PolarHBondContact O-N 3.44Å; Q70-E73 PolarHBondContact O-N 3.19Å; Q70-C74 VanDerWaalsContact O-CB 3.28Å; Q70-C74 WeakPolarHBondContact O-CB 3.45Å; Q70-C74 PolarHBondContact O-N 2.88Å
71	V	79.4	Confident	73.7	Confident	86 Å²	86	97.6 Å²	97.6	52%	0.521	55%	0.55	S	S	.	*	H	α-helix	trans	-67.4	-37.9	173	170.1	0	0	0	0	111	L67 G68 Q69 R75	L67-V71 WeakPolarHBondContact O-CB 3.48Å; L67-V71 VanDerWaalsContact O-CG2 3.26Å; L67-V71 WeakPolarHBondContact O-CG2 3.3Å; L67-V71 PolarHBondContact O-N 3.25Å; G68-V71 PolarHBondContact O-N 2.95Å; Q69-V71 VanDerWaalsContact C-N 3.33Å; Q69-V71 PolarHBondContact O-N 3.31Å; V71-R75 WeakPolarHBondContact O-CB 3.31Å; V71-R75 PolarHBondContact O-N 3.05Å
72	L	74.3	Confident	71.5	Confident	127 Å²	127	102.2 Å²	102.2	67%	0.665	56%	0.56	S	S	*	*	H	α-helix	trans	-66.8	-42.3	174	-105.7	94.1	0	0	0	112.2	G68 Q69 R75 A76	G68-L72 WeakPolarHBondContact O-CD1 3.31Å; G68-L72 PolarHBondContact O-N 3.18Å; Q69-L72 WeakPolarHBondContact O-CB 3.24Å; Q69-L72 PolarHBondContact O-N 2.94Å; Q69-L72 VanDerWaalsContact O-N 3.15Å; L72-R75 CarbonylContact O-C 3.55Å; L72-R75 WeakPolarHBondContact O-CB 3.18Å; L72-R75 PolarHBondContact O-N 3.35Å; L72-A76 WeakPolarHBondContact O-CB 3.43Å; L72-A76 PolarHBondContact O-N 3.35Å
73	E	74.1	Confident	69.1	Low	126 Å²	126	102.6 Å²	102.6	59%	0.589	57%	0.566	S	S	*	*	H	α-helix	trans	-65.2	-43.7	175.5	-74.6	178.5	175.7	0	0	111.1	Q69 Q70 R75 A76 V77	Q69-E73 WeakPolarHBondContact O-CG 3.46Å; Q69-E73 PolarHBondContact O-N 3.42Å; Q70-E73 PolarHBondContact O-N 3.19Å; E73-R75 VanDerWaalsContact C-N 3.32Å; E73-R75 PolarHBondContact O-N 3.49Å; E73-A76 CarbonylContact O-C 3.56Å; E73-A76 WeakPolarHBondContact O-CB 3.21Å; E73-A76 PolarHBondContact O-N 2.73Å; E73-A76 VanDerWaalsContact O-N 3.11Å; E73-V77 WeakPolarHBondContact O-CG2 3.37Å; E73-V77 PolarHBondContact O-N 3.05Å
74	C	66.7	Low	66.8	Low	80 Å²	80	104 Å²	104	54%	0.541	58%	0.58	S	S	.	*	H	α-helix	trans	-60.6	-40	171.1	-86.9	0	0	0	0	112	Q70 A76 V77 L78	Q70-C74 VanDerWaalsContact O-CB 3.28Å; Q70-C74 WeakPolarHBondContact O-CB 3.45Å; Q70-C74 PolarHBondContact O-N 2.88Å; C74-A76 VanDerWaalsContact C-N 3.34Å; C74-V77 PolarHBondContact O-N 3.2Å; C74-L78 VanDerWaalsContact O-CB 3.28Å; C74-L78 WeakPolarHBondContact O-CB 3.47Å; C74-L78 WeakPolarHBondContact O-CD1 3.48Å; C74-L78 VanDerWaalsContact O-CG 3.22Å; C74-L78 WeakPolarHBondContact O-CG 3.47Å; C74-L78 PolarHBondContact O-N 3.32Å
75	R	67.2	Low	64.6	Low	190 Å²	190	112.1 Å²	112.1	72%	0.717	60%	0.598	S	S	*	*	H	α-helix	trans	-64.4	-38.5	172.5	-107.7	-175.3	173.1	-177.3	-0.9	111.9	V71 L72 E73 A79	V71-R75 WeakPolarHBondContact O-CB 3.31Å; V71-R75 PolarHBondContact O-N 3.05Å; L72-R75 CarbonylContact O-C 3.55Å; L72-R75 WeakPolarHBondContact O-CB 3.18Å; L72-R75 PolarHBondContact O-N 3.35Å; E73-R75 VanDerWaalsContact C-N 3.32Å; E73-R75 PolarHBondContact O-N 3.49Å; R75-A79 WeakPolarHBondContact O-CA 3.27Å; R75-A79 WeakPolarHBondContact O-CB 3.39Å; R75-A79 PolarHBondContact O-N 3.32Å
76	A	64.8	Low	62.3	Low	63 Å²	63	111.8 Å²	111.8	52%	0.521	61%	0.612	S	S	.	*	H	α-helix	trans	-70.2	-35.4	177.7	0	0	0	0	0	111.8	L72 E73 C74 A79 G80	L72-A76 WeakPolarHBondContact O-CB 3.43Å; L72-A76 PolarHBondContact O-N 3.35Å; E73-A76 CarbonylContact O-C 3.56Å; E73-A76 WeakPolarHBondContact O-CB 3.21Å; E73-A76 PolarHBondContact O-N 2.73Å; E73-A76 VanDerWaalsContact O-N 3.11Å; C74-A76 VanDerWaalsContact C-N 3.34Å; A76-A79 CarbonylContact O-C 3.56Å; A76-A79 PolarHBondContact O-N 3.43Å; A76-G80 WeakPolarHBondContact O-CA 3.14Å; A76-G80 PolarHBondContact O-N 3.46Å
77	V	65.5	Low	60.2	Low	97 Å²	97	110.5 Å²	110.5	59%	0.588	62%	0.619	S	S	*	*	H	α-helix	trans	-71.7	-40.9	173	172.9	0	0	0	0	111.1	E73 C74 A79 G80 L81	E73-V77 WeakPolarHBondContact O-CG2 3.37Å; E73-V77 PolarHBondContact O-N 3.05Å; C74-V77 PolarHBondContact O-N 3.2Å; V77-A79 VanDerWaalsContact C-N 3.34Å; V77-G80 CarbonylContact O-C 3.57Å; V77-G80 PolarHBondContact O-N 3.33Å; V77-L81 HydrophobicContact CG1-CD1 4.4Å; V77-L81 WeakPolarHBondContact O-CB 3.27Å; V77-L81 WeakPolarHBondContact O-CG 3.46Å; V77-L81 PolarHBondContact O-N 2.96Å
78	L	58	Low	58.2	Low	114 Å²	114	110.8 Å²	110.8	60%	0.597	62%	0.619	S	S	*	*	H	α-helix	trans	-68.2	-32.2	172.6	-72.4	166.6	0	0	0	112.5	C74 L81 R82	C74-L78 VanDerWaalsContact O-CB 3.28Å; C74-L78 WeakPolarHBondContact O-CB 3.47Å; C74-L78 WeakPolarHBondContact O-CD1 3.48Å; C74-L78 VanDerWaalsContact O-CG 3.22Å; C74-L78 WeakPolarHBondContact O-CG 3.47Å; C74-L78 PolarHBondContact O-N 3.32Å; L78-L81 HydrophobicContact CD2-CD1 4.4Å; L78-R82 PolarHBondContact O-N 2.88Å
79	A	56.3	Low	56.7	Low	59 Å²	59	117.6 Å²	117.6	49%	0.488	64%	0.635	S	S	.	*	H	α-helix	trans	-76.7	-29.2	171.4	0	0	0	0	0	112.1	R75 A76 V77 R82	R75-A79 WeakPolarHBondContact O-CA 3.27Å; R75-A79 WeakPolarHBondContact O-CB 3.39Å; R75-A79 PolarHBondContact O-N 3.32Å; A76-A79 CarbonylContact O-C 3.56Å; A76-A79 PolarHBondContact O-N 3.43Å; V77-A79 VanDerWaalsContact C-N 3.34Å; A79-R82 CarbonylContact O-C 3.02Å; A79-R82 VanDerWaalsContact O-CA 3.23Å; A79-R82 WeakPolarHBondContact O-CA 3.4Å; A79-R82 VanDerWaalsContact O-CB 3.27Å; A79-R82 WeakPolarHBondContact O-CB 3.17Å; A79-R82 PolarHBondContact O-N 2.92Å; A79-R82 VanDerWaalsContact O-N 3.09Å; A79-R82 VanDerWaalsContact O-O 3.11Å
80	G	45.3	Very low	55.3	Low	51 Å²	51	116.1 Å²	116.1	53%	0.526	64%	0.635	S	S	.	*	H	α-helix	trans	-75.9	-27.7	172.1	0	0	0	0	0	113.1	A76 V77 R82 S83	A76-G80 WeakPolarHBondContact O-CA 3.14Å; A76-G80 PolarHBondContact O-N 3.46Å; V77-G80 CarbonylContact O-C 3.57Å; V77-G80 PolarHBondContact O-N 3.33Å; G80-R82 PolarHBondContact O-N 3.17Å; G80-S83 PolarHBondContact O-N 2.87Å
81	L	42.7	Very low	54	Low	134 Å²	134	116.2 Å²	116.2	70%	0.702	64%	0.635	S	S	*	*	T	Hydrogen-bonded Turn	trans	-70.1	-16.7	163	-78.4	160.7	0	0	0	112.2	V77 L78 S83	V77-L81 HydrophobicContact CG1-CD1 4.4Å; V77-L81 WeakPolarHBondContact O-CB 3.27Å; V77-L81 WeakPolarHBondContact O-CG 3.46Å; V77-L81 PolarHBondContact O-N 2.96Å; L78-L81 HydrophobicContact CD2-CD1 4.4Å; L81-S83 VanDerWaalsContact C-N 3.27Å
82	R	40.4	Very low	52.7	Low	214 Å²	214	120.6 Å²	120.6	81%	0.808	65%	0.65	S	S	*	*	T	Hydrogen-bonded Turn	trans	-93.5	50.3	155.3	-69.1	-178.8	175.5	178.2	-1.5	110.5	L78 A79 G80	L78-R82 PolarHBondContact O-N 2.88Å; A79-R82 CarbonylContact O-C 3.02Å; A79-R82 VanDerWaalsContact O-CA 3.23Å; A79-R82 WeakPolarHBondContact O-CA 3.4Å; A79-R82 VanDerWaalsContact O-CB 3.27Å; A79-R82 WeakPolarHBondContact O-CB 3.17Å; A79-R82 PolarHBondContact O-N 2.92Å; A79-R82 VanDerWaalsContact O-N 3.09Å; A79-R82 VanDerWaalsContact O-O 3.11Å; G80-R82 PolarHBondContact O-N 3.17Å
83	S	37.4	Very low	52.2	Low	84 Å²	84	120 Å²	120	59%	0.587	64%	0.644	S	S	*	*	S	Bend	trans	-43.7	137.1	138.8	-137.4	0	0	0	0	106.1	G80 L81 R85	G80-S83 PolarHBondContact O-N 2.87Å; L81-S83 VanDerWaalsContact C-N 3.27Å; S83-R85 VanDerWaalsContact C-N 3.25Å; S83-R85 PolarHBondContact O-N 2.83Å
84	P	42.5	Very low	52.4	Low	112 Å²	112	119.3 Å²	119.3	73%	0.727	64%	0.641	S	S	*	*			trans	-54.7	106	173.1	23.9	-28.9	0	0	0	104	G86	P84-G86 VanDerWaalsContact C-N 3.32Å; P84-G86 WeakPolarHBondContact O-CA 3.23Å; P84-G86 PolarHBondContact O-N 3.31Å
85	R	40.1	Very low	53.4	Low	231 Å²	231	117.4 Å²	117.4	87%	0.872	63%	0.625	S	S	*	*			trans	-42.9	113	168.5	-82.6	-179.5	172.2	-178	-3.7	101.9	S83 A87	S83-R85 VanDerWaalsContact C-N 3.25Å; S83-R85 PolarHBondContact O-N 2.83Å; R85-A87 WeakPolarHBondContact O-CA 3.15Å; R85-A87 PolarHBondContact O-N 2.96Å
86	G	39.7	Very low	54.5	Low	80 Å²	80	111.3 Å²	111.3	83%	0.825	61%	0.609	S	S	*	*			trans	-44.5	97.3	-169.9	0	0	0	0	0	106.1	P84 M88	P84-G86 VanDerWaalsContact C-N 3.32Å; P84-G86 WeakPolarHBondContact O-CA 3.23Å; P84-G86 PolarHBondContact O-N 3.31Å; G86-M88 PolarHBondContact O-N 3.23Å
87	A	40.9	Very low	55.7	Low	79 Å²	79	109.2 Å²	109.2	65%	0.653	59%	0.589	S	S	*	*			trans	-71.4	120.4	-165.7	0	0	0	0	0	99.9	R85 R89	R85-A87 WeakPolarHBondContact O-CA 3.15Å; R85-A87 PolarHBondContact O-N 2.96Å; A87-R89 PolarHBondContact O-N 3.13Å
88	M	43.7	Very low	56.7	Low	121 Å²	121	108.8 Å²	108.8	60%	0.596	59%	0.586	S	S	*	*			trans	-43.2	121.5	161.3	-123.8	-167.9	-68.6	0	0	104.9	G86 A178	G86-M88 PolarHBondContact O-N 3.23Å; M88-A178 HydrophobicContact SD-CB 4.23Å
89	R	51.4	Low	57.8	Low	176 Å²	176	103.7 Å²	103.7	66%	0.664	56%	0.561	S	S	*	*			trans	-46.1	142.2	-174.5	-73.2	-177.3	-175.2	178.5	-1.5	108.4	A87 E91 L95	A87-R89 PolarHBondContact O-N 3.13Å; R89-E91 PolarHBondContact O-N 2.86Å; R89-L95 VanDerWaalsContact NH1-CD2 3.33Å
90	P	52.4	Low	58.9	Low	82 Å²	82	106.7 Å²	106.7	53%	0.532	57%	0.573	S	S	.	*			trans	-47.5	135.5	-175.7	-6.8	4.9	0	0	0	109.9	Q92 E93	P90-Q92 PolarHBondContact O-N 3.28Å; P90-E93 HydrophobicContact CG-CG 4.36Å; P90-E93 PolarHBondContact O-N 3.49Å
91	E	50.7	Low	60.7	Low	134 Å²	134	108.7 Å²	108.7	63%	0.626	57%	0.572	S	S	*	*	T	Hydrogen-bonded Turn	trans	-54.5	-4.5	-175.5	-130.3	-168.2	146	0	0	115.1	R89 K109	R89-E91 PolarHBondContact O-N 2.86Å; E91-K109 IonicContact OE1-NZ 3.59Å; E91-K109 PolarHBondContact OE1-NZ 3.46Å; E91-K109 IonicContact OE2-NZ 3.68Å
92	Q	52.7	Low	62.7	Low	179 Å²	179	110.2 Å²	110.2	84%	0.836	58%	0.575	S	S	*	*	T	Hydrogen-bonded Turn	trans	-117.2	-3.6	-173.3	-70.1	172.8	-13	0	0	113.8	P90 E94	P90-Q92 PolarHBondContact O-N 3.28Å; Q92-E94 PolarHBondContact O-N 3.2Å; Q92-E94 VanDerWaalsContact O-N 3.15Å
93	E	64.1	Low	65.1	Low	113 Å²	113	103 Å²	103	53%	0.528	56%	0.555	S	S	.	*			trans	-75	106.1	173.9	-92.3	-174.9	164.7	0	0	110.2	P90 L95	P90-E93 HydrophobicContact CG-CG 4.36Å; P90-E93 PolarHBondContact O-N 3.49Å; E93-L95 PolarHBondContact O-N 3.35Å
94	E	77.9	Confident	67.7	Low	113 Å²	113	104.8 Å²	104.8	53%	0.528	55%	0.554	S	S	.	*			trans	-63.2	125.6	164.9	-66.8	-175.6	163.4	0	0	109.5	Q92 R106	Q92-E94 PolarHBondContact O-N 3.2Å; Q92-E94 VanDerWaalsContact O-N 3.15Å; E94-R106 HydrophobicContact CB-CB 4.28Å; E94-R106 WeakPolarHBondContact OE2-CD 3.3Å
95	L	87.8	Confident	70.2	Confident	40 Å²	40	102.1 Å²	102.1	21%	0.209	53%	0.53	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.3	156.8	177.1	-62	169.4	0	0	0	109.3	R89 E93 R106 Y107 E186	R89-L95 VanDerWaalsContact NH1-CD2 3.33Å; E93-L95 PolarHBondContact O-N 3.35Å; L95-R106 CarbonylContact O-C 3.53Å; L95-R106 WeakPolarHBondContact O-CA 3.41Å; L95-Y107 HydrophobicContact CB-CD1 3.89Å; L95-Y107 HydrophobicContact CB-CD2 4Å; L95-Y107 HydrophobicContact CB-CE1 3.35Å; L95-Y107 HydrophobicContact CB-CE2 3.52Å; L95-Y107 HydrophobicContact CB-CG 4.2Å; L95-Y107 WeakPolarHBondContact CB-OH 3.33Å; L95-Y107 HydrophobicContact CD1-CD2 4.37Å; L95-Y107 HydrophobicContact CD1-CE2 3.5Å; L95-Y107 VanDerWaalsContact CD1-CE2 3.5Å; L95-Y107 HydrophobicContact CG-CE2 4.12Å; L95-Y107 PolarHBondContact N-O 3.07Å; L95-Y107 WeakPolarHBondContact O-CD1 3.45Å; L95-Y107 PolarHBondContact O-N 3.12Å; L95-E186 WeakPolarHBondContact CD1-OE1 3.33Å
96	V	90.3	Very high	72.8	Confident	61 Å²	61	98.2 Å²	98.2	37%	0.37	52%	0.515	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-120	134.1	-173.4	-175.8	0	0	0	0	110.6	V98 E104 Y105 R106	V96-V98 HydrophobicContact CG1-CG2 4.41Å; V96-E104 HydrophobicContact CG1-CB 3.94Å; V96-E104 HydrophobicContact CG1-CG 4.06Å; V96-Y105 WeakPolarHBondContact CA-O 3.42Å; V96-R106 HydrophobicContact CG2-CG 4.43Å
97	M	89.8	Confident	75.5	Confident	20 Å²	20	94.6 Å²	94.6	10%	0.099	48%	0.476	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.4	140.1	161.8	-61.1	177.5	-74.7	0	0	108.9	Y105 Y107 A189 P194 L198	M97-Y105 PolarHBondContact N-O 2.91Å; M97-Y105 PolarHBondContact O-N 3.4Å; M97-Y107 HydrophobicContact CE-CD1 3.92Å; M97-Y107 HydrophobicContact CE-CG 4.37Å; M97-Y107 HydrophobicContact CG-CD1 3.77Å; M97-Y107 HydrophobicContact CG-CE1 3.58Å; M97-Y107 HydrophobicContact SD-CD1 4.35Å; M97-Y107 HydrophobicContact SD-CE1 4.45Å; M97-A189 HydrophobicContact CE-CB 4.09Å; M97-A189 VanDerWaalsContact SD-C 3.55Å; M97-A189 HydrophobicContact SD-CB 3.67Å; M97-P194 HydrophobicContact CB-CB 3.82Å; M97-P194 HydrophobicContact CB-CG 4.49Å; M97-P194 HydrophobicContact CE-CB 3.98Å; M97-P194 HydrophobicContact SD-CB 4.04Å; M97-L198 HydrophobicContact CE-CD1 3.9Å; M97-L198 HydrophobicContact CE-CD2 4.38Å
98	V	86.8	Confident	78	Confident	88 Å²	88	91.5 Å²	91.5	53%	0.533	45%	0.452	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.7	119.7	175.3	-175.6	0	0	0	0	108	V96	V96-V98 HydrophobicContact CG1-CG2 4.41Å
99	G	81.1	Confident	80.3	Confident	7 Å²	7	89.1 Å²	89.1	7%	0.072	44%	0.438	C	S	.	.			trans	-69.2	162.7	174.1	0	0	0	0	0	112	N101 H102 V103	G99-N101 PolarHBondContact O-N 2.9Å; G99-N101 VanDerWaalsContact O-N 3.09Å; G99-H102 PolarHBondContact O-N 3.1Å; G99-V103 PolarHBondContact N-O 3.01Å
100	T	79.9	Confident	82.4	Confident	122 Å²	122	83.4 Å²	83.4	75%	0.748	43%	0.429	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.4	-19.9	173.8	49.4	0	0	0	0	113.2	H102	T100-H102 VanDerWaalsContact C-N 3.32Å
101	N	81.8	Confident	84.5	Confident	93 Å²	93	80.6 Å²	80.6	50%	0.497	41%	0.409	S	S	.	.	T	Hydrogen-bonded Turn	trans	-88.4	11.7	173.6	64.1	-10.6	0	0	0	114	G99 V103	G99-N101 PolarHBondContact O-N 2.9Å; G99-N101 VanDerWaalsContact O-N 3.09Å; N101-V103 HydrophobicContact CB-CG2 4.46Å; N101-V103 VanDerWaalsContact ND2-CG2 3.32Å; N101-V103 WeakPolarHBondContact ND2-CG2 3.48Å; N101-V103 PolarHBondContact O-N 3.37Å; N101-V103 WeakPolarHBondContact OD1-CB 3.44Å; N101-V103 PolarHBondContact OD1-N 3.13Å
102	H	84.8	Confident	86.8	Confident	166 Å²	166	77.2 Å²	77.2	77%	0.769	40%	0.399	S	S	*	.	S	Bend	trans	60.2	18.6	-175.5	-57.9	-73.8	0	0	0	115.1	G99 T100	G99-H102 PolarHBondContact O-N 3.1Å; T100-H102 VanDerWaalsContact C-N 3.32Å
103	V	91.4	Very high	89	Confident	62 Å²	62	68.8 Å²	68.8	38%	0.376	36%	0.359	S	S	.	.			trans	-83	132.1	172.3	177.3	0	0	0	0	109.5	G99 N101 Y105	G99-V103 PolarHBondContact N-O 3.01Å; N101-V103 HydrophobicContact CB-CG2 4.46Å; N101-V103 VanDerWaalsContact ND2-CG2 3.32Å; N101-V103 WeakPolarHBondContact ND2-CG2 3.48Å; N101-V103 PolarHBondContact O-N 3.37Å; N101-V103 WeakPolarHBondContact OD1-CB 3.44Å; N101-V103 PolarHBondContact OD1-N 3.13Å; V103-Y105 HydrophobicContact CB-CE2 3.85Å; V103-Y105 HydrophobicContact CG1-CD2 4.28Å; V103-Y105 HydrophobicContact CG1-CE1 4.38Å; V103-Y105 HydrophobicContact CG1-CE2 3.74Å; V103-Y105 WeakPolarHBondContact O-CD2 3.3Å; V103-Y105 WeakPolarHBondContact O-CE2 3.28Å
104	E	93	Very high	90.6	Very high	122 Å²	122	63.7 Å²	63.7	57%	0.57	34%	0.336	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-85.5	127.4	174.6	-66.3	-173.9	175.9	0	0	111.1	V96	V96-E104 HydrophobicContact CG1-CB 3.94Å; V96-E104 HydrophobicContact CG1-CG 4.06Å
105	Y	94.3	Very high	91.6	Very high	55 Å²	55	58.3 Å²	58.3	22%	0.216	31%	0.31	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114	120.9	174.2	-62.3	-94.3	0	0	0	109.1	V96 M97 V103 P194	V96-Y105 WeakPolarHBondContact CA-O 3.42Å; M97-Y105 PolarHBondContact N-O 2.91Å; M97-Y105 PolarHBondContact O-N 3.4Å; V103-Y105 HydrophobicContact CB-CE2 3.85Å; V103-Y105 HydrophobicContact CG1-CD2 4.28Å; V103-Y105 HydrophobicContact CG1-CE1 4.38Å; V103-Y105 HydrophobicContact CG1-CE2 3.74Å; V103-Y105 WeakPolarHBondContact O-CD2 3.3Å; V103-Y105 WeakPolarHBondContact O-CE2 3.28Å; Y105-P194 HydrophobicContact CD2-CB 3.56Å; Y105-P194 HydrophobicContact CD2-CG 3.91Å; Y105-P194 HydrophobicContact CE2-CB 4.05Å; Y105-P194 HydrophobicContact CE2-CG 4.03Å; Y105-P194 HydrophobicContact CG-CB 3.93Å
106	R	94.3	Very high	92.2	Very high	149 Å²	149	56.4 Å²	56.4	56%	0.562	30%	0.3	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-89	136.5	177.9	-65.1	178.7	-179.7	-93.7	-8.8	110.2	E94 L95 V96	E94-R106 HydrophobicContact CB-CB 4.28Å; E94-R106 WeakPolarHBondContact OE2-CD 3.3Å; L95-R106 CarbonylContact O-C 3.53Å; L95-R106 WeakPolarHBondContact O-CA 3.41Å; V96-R106 HydrophobicContact CG2-CG 4.43Å
107	Y	95.7	Very high	92.6	Very high	4 Å²	4	53.5 Å²	53.5	2%	0.016	28%	0.283	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.3	141.7	178.7	70.1	-87.7	0	0	0	111.2	L95 M97 L185 E186 A189 K190	L95-Y107 HydrophobicContact CB-CD1 3.89Å; L95-Y107 HydrophobicContact CB-CD2 4Å; L95-Y107 HydrophobicContact CB-CE1 3.35Å; L95-Y107 HydrophobicContact CB-CE2 3.52Å; L95-Y107 HydrophobicContact CB-CG 4.2Å; L95-Y107 WeakPolarHBondContact CB-OH 3.33Å; L95-Y107 HydrophobicContact CD1-CD2 4.37Å; L95-Y107 HydrophobicContact CD1-CE2 3.5Å; L95-Y107 VanDerWaalsContact CD1-CE2 3.5Å; L95-Y107 HydrophobicContact CG-CE2 4.12Å; L95-Y107 PolarHBondContact N-O 3.07Å; L95-Y107 WeakPolarHBondContact O-CD1 3.45Å; L95-Y107 PolarHBondContact O-N 3.12Å; M97-Y107 HydrophobicContact CE-CD1 3.92Å; M97-Y107 HydrophobicContact CE-CG 4.37Å; M97-Y107 HydrophobicContact CG-CD1 3.77Å; M97-Y107 HydrophobicContact CG-CE1 3.58Å; M97-Y107 HydrophobicContact SD-CD1 4.35Å; M97-Y107 HydrophobicContact SD-CE1 4.45Å; Y107-L185 HydrophobicContact CD2-CD1 3.98Å; Y107-L185 HydrophobicContact CD2-CD2 3.79Å; Y107-L185 HydrophobicContact CD2-CG 3.6Å; Y107-L185 HydrophobicContact CE2-CD2 4.3Å; Y107-L185 HydrophobicContact CE2-CG 4.03Å; Y107-E186 PolarHBondContact OH-OE1 2.69Å; Y107-A189 HydrophobicContact CD1-CB 4.15Å; Y107-A189 HydrophobicContact CD2-CB 3.68Å; Y107-A189 HydrophobicContact CE1-CB 4.08Å; Y107-A189 HydrophobicContact CE2-CB 3.58Å; Y107-A189 HydrophobicContact CG-CB 3.95Å; Y107-K190 WeakPolarHBondContact OH-CE 3.36Å
108	G	94.5	Very high	93	Very high	14 Å²	14	52.5 Å²	52.5	14%	0.144	28%	0.278	C	S	.	.			trans	-168.1	171.1	-172.1	0	0	0	0	0	111.9	A110 M111	G108-A110 PolarHBondContact O-N 3.46Å; G108-A110 VanDerWaalsContact O-N 3.12Å; G108-M111 WeakPolarHBondContact O-CB 3.5Å; G108-M111 VanDerWaalsContact O-CG 3.25Å; G108-M111 WeakPolarHBondContact O-CG 3.49Å; G108-M111 PolarHBondContact O-N 3.13Å
109	K	92.4	Very high	93.6	Very high	71 Å²	71	48.3 Å²	48.3	31%	0.309	25%	0.253	S	S	.	.	T	Hydrogen-bonded Turn	trans	-59.2	-26.4	-175.9	64.4	175	173.6	175.3	0	114.6	E91	E91-K109 IonicContact OE1-NZ 3.59Å; E91-K109 PolarHBondContact OE1-NZ 3.46Å; E91-K109 IonicContact OE2-NZ 3.68Å
110	A	95.3	Very high	94.4	Very high	56 Å²	56	48.8 Å²	48.8	46%	0.463	26%	0.255	S	S	.	.	T	Hydrogen-bonded Turn	trans	-91.8	3.4	-179.5	0	0	0	0	0	113.6	G108 N218	G108-A110 PolarHBondContact O-N 3.46Å; G108-A110 VanDerWaalsContact O-N 3.12Å; A110-N218 WeakPolarHBondContact O-CB 3.41Å; A110-N218 PolarHBondContact O-ND2 2.93Å
111	M	96.6	Very high	95.3	Very high	23 Å²	23	44.1 Å²	44.1	11%	0.113	22%	0.223	C	C	.	.	S	Bend	trans	-70.3	152	179.2	81.5	-177.4	-64.8	0	0	111.8	G108 L113 L185 L198	G108-M111 WeakPolarHBondContact O-CB 3.5Å; G108-M111 VanDerWaalsContact O-CG 3.25Å; G108-M111 WeakPolarHBondContact O-CG 3.49Å; G108-M111 PolarHBondContact O-N 3.13Å; M111-L113 VanDerWaalsContact C-N 3.31Å; M111-L113 HydrophobicContact CE-CD2 4.26Å; M111-L113 HydrophobicContact CG-CD2 3.75Å; M111-L113 HydrophobicContact CG-CG 3.75Å; M111-L113 PolarHBondContact O-N 2.88Å; M111-L113 HydrophobicContact SD-CD2 3.7Å; M111-L113 HydrophobicContact SD-CG 4.33Å; M111-L185 HydrophobicContact SD-CD1 3.81Å; M111-L198 HydrophobicContact CE-CB 3.88Å; M111-L198 HydrophobicContact CE-CD1 3.61Å; M111-L198 HydrophobicContact CE-CG 3.64Å; M111-L198 HydrophobicContact SD-CD1 4.01Å
112	P	98	Very high	96.1	Very high	64 Å²	64	39.8 Å²	39.8	42%	0.416	20%	0.2	S	C	.	.			trans	-77.7	77	-178.2	32.5	-35.7	0	0	0	111.6
113	L	98.8	Very high	96.7	Very high	2 Å²	2	32.5 Å²	32.5	1%	0.01	17%	0.17	C	C	.	.			trans	-70.2	145.1	177.3	-67.9	177.8	0	0	0	112.1	M111 F115 L185 I188 L198 F216 S219 K220	M111-L113 VanDerWaalsContact C-N 3.31Å; M111-L113 HydrophobicContact CE-CD2 4.26Å; M111-L113 HydrophobicContact CG-CD2 3.75Å; M111-L113 HydrophobicContact CG-CG 3.75Å; M111-L113 PolarHBondContact O-N 2.88Å; M111-L113 HydrophobicContact SD-CD2 3.7Å; M111-L113 HydrophobicContact SD-CG 4.33Å; L113-F115 HydrophobicContact CB-CD2 4.35Å; L113-F115 HydrophobicContact CB-CE2 3.77Å; L113-F115 HydrophobicContact CB-CZ 4.37Å; L113-F115 HydrophobicContact CD1-CE2 3.96Å; L113-F115 HydrophobicContact CD1-CZ 3.88Å; L113-L185 HydrophobicContact CD1-CD1 4.49Å; L113-I188 HydrophobicContact CD1-CD1 4.2Å; L113-I188 HydrophobicContact CD2-CG2 4.11Å; L113-L198 WeakPolarHBondContact CA-O 3.46Å; L113-L198 HydrophobicContact CD2-CB 3.72Å; L113-F216 HydrophobicContact CD1-CB 4.27Å; L113-F216 HydrophobicContact CD1-CD1 3.73Å; L113-F216 HydrophobicContact CD1-CD2 4.14Å; L113-F216 HydrophobicContact CD1-CE1 4.05Å; L113-F216 HydrophobicContact CD1-CE2 4.42Å; L113-F216 HydrophobicContact CD1-CG 3.78Å; L113-F216 HydrophobicContact CD1-CZ 4.37Å; L113-S219 CarbonylContact O-C 3.57Å; L113-S219 WeakPolarHBondContact O-CA 3.49Å; L113-S219 WeakPolarHBondContact O-CB 3.11Å; L113-K220 PolarHBondContact O-N 2.87Å
114	I	98.9	Very high	97.1	Very high	5 Å²	5	29.7 Å²	29.7	3%	0.026	15%	0.153	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.9	126.2	169.9	-52.8	167.2	0	0	0	109.1	V116 L131 V137 V197 L198 C199 N200 K220 L222 L299 I301	I114-V116 HydrophobicContact CG2-CG2 4.17Å; I114-L131 HydrophobicContact CG2-CD1 4.27Å; I114-V137 HydrophobicContact CD1-CG1 4.06Å; I114-V197 HydrophobicContact CD1-CG1 3.63Å; I114-V197 HydrophobicContact CG1-CG1 3.99Å; I114-L198 PolarHBondContact N-O 3.29Å; I114-C199 HydrophobicContact CB-CB 3.91Å; I114-C199 HydrophobicContact CD1-CB 4.46Å; I114-C199 CarbonylContact O-C 3.55Å; I114-C199 WeakPolarHBondContact O-CA 3.01Å; I114-N200 PolarHBondContact O-N 3.26Å; I114-K220 WeakPolarHBondContact CA-O 3.14Å; I114-L222 HydrophobicContact CG2-CD1 4.38Å; I114-L222 HydrophobicContact CG2-CG 4.41Å; I114-L299 HydrophobicContact CD1-CD1 3.83Å; I114-L299 HydrophobicContact CD1-CD2 4.33Å; I114-L299 HydrophobicContact CG1-CD1 4.44Å; I114-L299 HydrophobicContact CG1-CD2 4.05Å; I114-L299 HydrophobicContact CG2-CD2 4.19Å; I114-I301 HydrophobicContact CD1-CD1 3.94Å
115	F	98.9	Very high	97.4	Very high	0 Å²	0	24 Å²	24	0%	0	13%	0.126	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.4	115.8	171.7	-69.6	-84.2	0	0	0	110.3	L113 I188 N200 L206 L212 F216 K220 F221 L222	L113-F115 HydrophobicContact CB-CD2 4.35Å; L113-F115 HydrophobicContact CB-CE2 3.77Å; L113-F115 HydrophobicContact CB-CZ 4.37Å; L113-F115 HydrophobicContact CD1-CE2 3.96Å; L113-F115 HydrophobicContact CD1-CZ 3.88Å; F115-I188 HydrophobicContact CE1-CD1 3.74Å; F115-I188 HydrophobicContact CZ-CD1 3.85Å; F115-N200 WeakPolarHBondContact CA-O 3.35Å; F115-N200 HydrophobicContact CD1-CB 4Å; F115-N200 HydrophobicContact CE1-CB 4.09Å; F115-L206 HydrophobicContact CB-CD2 4.31Å; F115-L212 HydrophobicContact CD1-CD1 4.14Å; F115-L212 HydrophobicContact CE1-CD1 4.24Å; F115-L212 HydrophobicContact CE1-CD2 4.35Å; F115-L212 HydrophobicContact CG-CD1 4.42Å; F115-L212 HydrophobicContact CZ-CD2 4.23Å; F115-F216 HydrophobicContact CE2-CD2 4.19Å; F115-F216 HydrophobicContact CZ-CD2 4.04Å; F115-F216 HydrophobicContact CZ-CE2 4.3Å; F115-K220 PolarHBondContact N-O 3.16Å; F115-F221 HydrophobicContact CB-CD1 3.58Å; F115-F221 HydrophobicContact CB-CE1 3.8Å; F115-F221 HydrophobicContact CD2-CD1 4.28Å; F115-F221 AromaticContact CD2-CE1 3.71Å; F115-F221 HydrophobicContact CD2-CE1 3.71Å; F115-F221 HydrophobicContact CD2-CZ 4.17Å; F115-F221 HydrophobicContact CG-CD1 4.25Å; F115-F221 AromaticContact CG-CE1 3.95Å; F115-F221 HydrophobicContact CG-CE1 3.95Å; F115-F221 CarbonylContact O-C 3.48Å; F115-F221 WeakPolarHBondContact O-CA 3.31Å; F115-L222 PolarHBondContact O-N 3.42Å
116	V	98.9	Very high	97.6	Very high	0 Å²	0	22.4 Å²	22.4	0%	0	12%	0.121	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.7	130.2	174.6	-176.1	0	0	0	0	109.2	I114 M127 L131 N200 K201 L222 M224	I114-V116 HydrophobicContact CG2-CG2 4.17Å; V116-M127 HydrophobicContact CG1-CB 4.13Å; V116-M127 HydrophobicContact CG1-CG 3.95Å; V116-L131 HydrophobicContact CG2-CD1 3.96Å; V116-N200 PolarHBondContact N-O 2.91Å; V116-K201 HydrophobicContact CB-CB 4.07Å; V116-K201 HydrophobicContact CB-CG 3.93Å; V116-K201 HydrophobicContact CG1-CG 3.99Å; V116-K201 WeakPolarHBondContact O-CA 3.45Å; V116-L222 HydrophobicContact CG2-CB 4.29Å; V116-L222 HydrophobicContact CG2-CD1 4.24Å; V116-M224 HydrophobicContact CG1-CG 4.17Å
117	G	98.8	Very high	97.8	Very high	0 Å²	0	15.3 Å²	15.3	0%	0	10%	0.095	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-160.8	-157.1	174.7	0	0	0	0	0	113.1	T124 L222 M224	G117-T124 WeakPolarHBondContact O-CG2 3.13Å; G117-L222 PolarHBondContact N-O 3.49Å; G117-M224 VanDerWaalsContact O-CB 3.27Å; G117-M224 WeakPolarHBondContact O-CB 3.31Å; G117-M224 WeakPolarHBondContact O-CG 3.49Å; G117-M224 PolarHBondContact O-N 3.48Å
118	G	98.8	Very high	98	Very high	0 Å²	0	15.1 Å²	15.1	0%	0	9%	0.094	C	C	.	.	S	Bend	trans	127.9	175.3	-167	0	0	0	0	0	110.5	P203 M264	G118-P203 PolarHBondContact N-O 2.95Å; G118-P203 CarbonylContact O-C 3.42Å; G118-P203 WeakPolarHBondContact O-CA 3.16Å; G118-P203 WeakPolarHBondContact O-CB 3.43Å; G118-M264 VanDerWaalsContact C-SD 3.52Å; G118-M264 VanDerWaalsContact CA-SD 3.53Å
119	V	98.6	Very high	98.2	Very high	0 Å²	0	14.4 Å²	14.4	0%	0	9%	0.087	C	C	.	.	S	Bend	trans	-62.8	136.1	175.2	-173.8	0	0	0	0	108.7	S122 M235 A260 I261 M264	V119-S122 WeakPolarHBondContact O-CB 3.42Å; V119-S122 PolarHBondContact O-N 3.22Å; V119-S122 PolarHBondContact O-OG 2.98Å; V119-M235 HydrophobicContact CG1-CE 4.5Å; V119-A260 HydrophobicContact CG2-CB 3.84Å; V119-I261 HydrophobicContact CG2-CB 3.97Å; V119-I261 HydrophobicContact CG2-CD1 4.36Å; V119-M264 HydrophobicContact CG2-SD 4.35Å
120	P	98.6	Very high	98.5	Very high	17 Å²	17	11 Å²	11	11%	0.11	7%	0.072	C	C	.	.	T	Hydrogen-bonded Turn	trans	-50.2	150.2	174.8	-26.9	33	0	0	0	111.8	S122 P203 F204 I242	P120-S122 VanDerWaalsContact C-N 3.29Å; P120-P203 HydrophobicContact CG-CB 3.79Å; P120-P203 HydrophobicContact CG-CG 4.15Å; P120-F204 HydrophobicContact CG-CD2 4.33Å; P120-F204 HydrophobicContact CG-CE2 3.54Å; P120-F204 HydrophobicContact CG-CZ 3.7Å; P120-I242 HydrophobicContact CB-CD1 3.83Å; P120-I242 HydrophobicContact CB-CG1 4.5Å; P120-I242 HydrophobicContact CG-CD1 3.84Å; P120-I242 HydrophobicContact CG-CG1 4.33Å
121	R	98.4	Very high	98.6	Very high	24 Å²	24	8.4 Å²	8.4	9%	0.091	5%	0.05	C	C	.	.	T	Hydrogen-bonded Turn	trans	74.7	8.7	-174.2	-39.2	-49.3	-57	156	2.5	115.5	R226 S234 M235 S328	R121-R226 WeakPolarHBondContact O-CD 3.5Å; R121-R226 PolarHBondContact O-NH1 3.23Å; R121-S234 PolarHBondContact NE-OG 3.2Å; R121-S234 PolarHBondContact NH2-OG 2.96Å; R121-M235 HydrophobicContact CG-CB 3.92Å; R121-S328 PolarHBondContact NH1-OG 2.7Å
122	S	98.8	Very high	98.7	Very high	1 Å²	1	7.4 Å²	7.4	1%	0.007	5%	0.046	C	C	.	.	S	Bend	trans	-91.7	18.8	175	-49.3	0	0	0	0	114.8	V119 P120 S231	V119-S122 WeakPolarHBondContact O-CB 3.42Å; V119-S122 PolarHBondContact O-N 3.22Å; V119-S122 PolarHBondContact O-OG 2.98Å; P120-S122 VanDerWaalsContact C-N 3.29Å; S122-S231 PolarHBondContact OG-OG 2.76Å
123	G	98.5	Very high	98.8	Very high	13 Å²	13	4.5 Å²	4.5	13%	0.134	3%	0.027	C	C	.	.	S	Bend	trans	83.3	13.7	180	0	0	0	0	0	115.8	T125 L126 M127	G123-T125 VanDerWaalsContact C-N 3.34Å; G123-T125 PolarHBondContact O-N 3.11Å; G123-L126 WeakPolarHBondContact O-CB 3.26Å; G123-L126 PolarHBondContact O-N 3.1Å; G123-M127 PolarHBondContact O-N 3.32Å
124	T	98.8	Very high	98.8	Very high	4 Å²	4	4.5 Å²	4.5	3%	0.025	3%	0.027	C	C	.	.	H	α-helix	trans	-58.1	-39.2	179.6	56.8	0	0	0	0	114	G117 R128 M224	G117-T124 WeakPolarHBondContact O-CG2 3.13Å; T124-R128 WeakPolarHBondContact O-CG 3.47Å; T124-R128 PolarHBondContact O-N 2.95Å; T124-R128 VanDerWaalsContact O-N 3.09Å; T124-M224 HydrophobicContact CG2-CB 3.77Å; T124-M224 HydrophobicContact CG2-CG 3.69Å
125	T	98.8	Very high	98.7	Very high	2 Å²	2	8.9 Å²	8.9	1%	0.012	6%	0.055	C	C	.	.	H	α-helix	trans	-69.5	-32.6	175.3	-46.9	0	0	0	0	112.3	G123 R128 A129 K201 S328 V332	G123-T125 VanDerWaalsContact C-N 3.34Å; G123-T125 PolarHBondContact O-N 3.11Å; T125-R128 WeakPolarHBondContact O-CG 3.34Å; T125-A129 WeakPolarHBondContact O-CB 3.28Å; T125-A129 PolarHBondContact O-N 2.75Å; T125-A129 VanDerWaalsContact O-N 3.08Å; T125-K201 PolarHBondContact OG1-NZ 3.38Å; T125-S328 WeakPolarHBondContact OG1-CB 3.28Å; T125-S328 PolarHBondContact OG1-OG 2.98Å; T125-V332 HydrophobicContact CG2-CB 4.49Å; T125-V332 HydrophobicContact CG2-CG2 3.87Å
126	L	98.9	Very high	98.7	Very high	21 Å²	21	11.8 Å²	11.8	11%	0.11	7%	0.069	C	C	.	.	H	α-helix	trans	-67	-49.4	174.4	176.8	63.2	0	0	0	110.1	G123 R128 A129 M130 Y281 V285 V336	G123-L126 WeakPolarHBondContact O-CB 3.26Å; G123-L126 PolarHBondContact O-N 3.1Å; L126-R128 PolarHBondContact O-N 3Å; L126-A129 PolarHBondContact O-N 3.24Å; L126-A129 VanDerWaalsContact O-N 3.1Å; L126-M130 HydrophobicContact CD1-CG 4.23Å; L126-M130 HydrophobicContact CD1-SD 4.26Å; L126-M130 HydrophobicContact CG-SD 4.12Å; L126-M130 WeakPolarHBondContact O-CG 3.36Å; L126-M130 PolarHBondContact O-N 3.25Å; L126-Y281 HydrophobicContact CD2-CE2 4.24Å; L126-V285 HydrophobicContact CD2-CG2 4.2Å; L126-V336 HydrophobicContact CD1-CG2 4.22Å
127	M	98.9	Very high	98.7	Very high	0 Å²	0	12.1 Å²	12.1	0%	0	7%	0.071	C	C	.	.	H	α-helix	trans	-54.4	-52.4	178.7	-176.8	66.9	-116.2	0	0	111.8	V116 G123 A129 M130 L131 L222 M224 V279 L284 L292 I295	V116-M127 HydrophobicContact CG1-CB 4.13Å; V116-M127 HydrophobicContact CG1-CG 3.95Å; G123-M127 PolarHBondContact O-N 3.32Å; M127-A129 VanDerWaalsContact C-N 3.29Å; M127-A129 PolarHBondContact O-N 2.9Å; M127-M130 PolarHBondContact O-N 2.88Å; M127-L131 HydrophobicContact CE-CD1 4.01Å; M127-L131 HydrophobicContact CE-CD2 3.82Å; M127-L131 HydrophobicContact CE-CG 3.63Å; M127-L131 WeakPolarHBondContact O-CG 3.3Å; M127-L131 PolarHBondContact O-N 3.4Å; M127-L131 VanDerWaalsContact O-N 3.09Å; M127-L222 HydrophobicContact CE-CD1 4.04Å; M127-L222 HydrophobicContact CG-CD1 4.25Å; M127-L222 HydrophobicContact SD-CD1 4.31Å; M127-M224 HydrophobicContact CB-CE 4.16Å; M127-M224 HydrophobicContact CB-CG 4.27Å; M127-M224 HydrophobicContact CB-SD 3.55Å; M127-M224 VanDerWaalsContact CB-SD 3.55Å; M127-M224 HydrophobicContact CG-SD 3.56Å; M127-M224 VanDerWaalsContact CG-SD 3.56Å; M127-M224 HydrophobicContact SD-SD 4.05Å; M127-V279 HydrophobicContact SD-CG1 4.28Å; M127-L284 HydrophobicContact CB-CD2 4.48Å; M127-L284 HydrophobicContact SD-CD2 3.99Å; M127-L292 HydrophobicContact CE-CD2 3.8Å; M127-L292 HydrophobicContact SD-CD2 4.47Å; M127-I295 HydrophobicContact CE-CD1 3.99Å; M127-I295 HydrophobicContact CE-CG2 4Å; M127-I295 HydrophobicContact SD-CD1 3.82Å
128	R	98.8	Very high	98.7	Very high	0 Å²	0	12.9 Å²	12.9	0%	0	7%	0.074	C	C	.	.	H	α-helix	trans	-65.8	-31.6	179.5	75.6	84.2	-179.8	174.8	-10.7	112.7	T124 T125 L126 L131 D132 C139 G140 K201 S321	T124-R128 WeakPolarHBondContact O-CG 3.47Å; T124-R128 PolarHBondContact O-N 2.95Å; T124-R128 VanDerWaalsContact O-N 3.09Å; T125-R128 WeakPolarHBondContact O-CG 3.34Å; L126-R128 PolarHBondContact O-N 3Å; R128-L131 PolarHBondContact O-N 3.45Å; R128-D132 WeakPolarHBondContact CD-OD2 3.38Å; R128-D132 IonicContact CZ-OD2 2.83Å; R128-D132 IonicContact NH1-OD2 3.03Å; R128-D132 PolarHBondContact NH1-OD2 2.99Å; R128-D132 WeakPolarHBondContact O-CB 3.2Å; R128-D132 PolarHBondContact O-N 2.86Å; R128-C139 HydrophobicContact CB-CB 3.86Å; R128-G140 VanDerWaalsContact CD-O 3.32Å; R128-G140 WeakPolarHBondContact CD-O 3.44Å; R128-G140 VanDerWaalsContact CZ-O 3.24Å; R128-G140 PolarHBondContact NE-O 3.42Å; R128-G140 PolarHBondContact NH1-O 3.08Å; R128-K201 HydrophobicContact CB-CB 3.81Å; R128-K201 HydrophobicContact CB-CG 4.02Å; R128-K201 HydrophobicContact CG-CB 3.88Å; R128-K201 HydrophobicContact CG-CD 4.46Å; R128-K201 HydrophobicContact CG-CG 3.9Å; R128-S321 PolarHBondContact NH1-O 3.19Å; R128-S321 PolarHBondContact NH2-O 3.24Å; R128-S321 VanDerWaalsContact NH2-O 3.1Å
129	A	98.9	Very high	98.7	Very high	0 Å²	0	12.9 Å²	12.9	0%	0	7%	0.074	C	C	.	.	H	α-helix	trans	-70.1	-37.2	178.3	0	0	0	0	0	111.5	T125 L126 M127 L131 D132 A133 V320 V332	T125-A129 WeakPolarHBondContact O-CB 3.28Å; T125-A129 PolarHBondContact O-N 2.75Å; T125-A129 VanDerWaalsContact O-N 3.08Å; L126-A129 PolarHBondContact O-N 3.24Å; L126-A129 VanDerWaalsContact O-N 3.1Å; M127-A129 VanDerWaalsContact C-N 3.29Å; M127-A129 PolarHBondContact O-N 2.9Å; A129-L131 VanDerWaalsContact C-N 3.29Å; A129-L131 PolarHBondContact O-N 2.88Å; A129-D132 PolarHBondContact O-N 2.81Å; A129-A133 PolarHBondContact O-N 3.04Å; A129-A133 VanDerWaalsContact O-N 3.08Å; A129-V320 HydrophobicContact CB-CG1 3.76Å; A129-V320 VanDerWaalsContact O-CG2 3.31Å; A129-V320 WeakPolarHBondContact O-CG2 3.08Å; A129-V332 HydrophobicContact CB-CG1 3.51Å
130	M	98.9	Very high	98.7	Very high	0 Å²	0	13 Å²	13	0%	0	8%	0.075	C	C	.	.	H	α-helix	trans	-67.7	-30.5	172.3	-59.8	173.4	84.5	0	0	112.1	L126 M127 L284 P288 L292 V307 L308 V336	L126-M130 HydrophobicContact CD1-CG 4.23Å; L126-M130 HydrophobicContact CD1-SD 4.26Å; L126-M130 HydrophobicContact CG-SD 4.12Å; L126-M130 WeakPolarHBondContact O-CG 3.36Å; L126-M130 PolarHBondContact O-N 3.25Å; M127-M130 PolarHBondContact O-N 2.88Å; M130-L284 HydrophobicContact CE-CD1 4.34Å; M130-L284 HydrophobicContact SD-CD1 4.02Å; M130-L284 HydrophobicContact SD-CD2 4.37Å; M130-L284 HydrophobicContact SD-CG 4.38Å; M130-P288 HydrophobicContact CE-CB 4.02Å; M130-L292 HydrophobicContact CB-CD1 3.78Å; M130-L292 HydrophobicContact CE-CD1 3.49Å; M130-L292 VanDerWaalsContact CE-CD1 3.49Å; M130-L292 HydrophobicContact CE-CD2 4.31Å; M130-L292 HydrophobicContact CE-CG 3.8Å; M130-L292 HydrophobicContact CG-CD1 4.48Å; M130-L292 HydrophobicContact SD-CD1 4.22Å; M130-V307 WeakPolarHBondContact CE-O 3.33Å; M130-V307 WeakPolarHBondContact O-CB 3.2Å; M130-V307 WeakPolarHBondContact O-CG1 3.43Å; M130-L308 HydrophobicContact CE-CD2 4.48Å; M130-V336 HydrophobicContact CE-CG2 3.93Å; M130-V336 HydrophobicContact SD-CG2 4.16Å
131	L	98.9	Very high	98.7	Very high	1 Å²	1	14.1 Å²	14.1	1%	0.005	8%	0.079	C	C	.	.	H	α-helix	trans	-72.6	-44.6	170.9	-66.6	177.1	0	0	0	112.4	I114 V116 M127 R128 A129 A133 H134 V137 L222 L296 L299	I114-L131 HydrophobicContact CG2-CD1 4.27Å; V116-L131 HydrophobicContact CG2-CD1 3.96Å; M127-L131 HydrophobicContact CE-CD1 4.01Å; M127-L131 HydrophobicContact CE-CD2 3.82Å; M127-L131 HydrophobicContact CE-CG 3.63Å; M127-L131 WeakPolarHBondContact O-CG 3.3Å; M127-L131 PolarHBondContact O-N 3.4Å; M127-L131 VanDerWaalsContact O-N 3.09Å; R128-L131 PolarHBondContact O-N 3.45Å; A129-L131 VanDerWaalsContact C-N 3.29Å; A129-L131 PolarHBondContact O-N 2.88Å; L131-A133 PolarHBondContact O-N 3.35Å; L131-A133 VanDerWaalsContact O-N 3.16Å; L131-H134 WeakPolarHBondContact O-CB 3.45Å; L131-H134 PolarHBondContact O-N 2.97Å; L131-V137 HydrophobicContact CB-CG1 4.15Å; L131-V137 WeakPolarHBondContact O-CB 3.49Å; L131-L222 HydrophobicContact CD1-CD1 3.96Å; L131-L296 HydrophobicContact CD2-CD2 4.33Å; L131-L299 HydrophobicContact CD2-CD1 4.16Å
132	D	98.8	Very high	98.7	Very high	2 Å²	2	15.3 Å²	15.3	1%	0.011	9%	0.085	C	C	.	.	H	α-helix	trans	-57.9	-25	174.1	-83.8	-43.3	0	0	0	112.5	R128 A129 H134 C139 G140 V320	R128-D132 WeakPolarHBondContact CD-OD2 3.38Å; R128-D132 IonicContact CZ-OD2 2.83Å; R128-D132 IonicContact NH1-OD2 3.03Å; R128-D132 PolarHBondContact NH1-OD2 2.99Å; R128-D132 WeakPolarHBondContact O-CB 3.2Å; R128-D132 PolarHBondContact O-N 2.86Å; A129-D132 PolarHBondContact O-N 2.81Å; D132-H134 PolarHBondContact O-N 3.25Å; D132-C139 WeakPolarHBondContact OD1-CA 3.38Å; D132-C139 PolarHBondContact OD1-N 3.01Å; D132-G140 PolarHBondContact OD1-N 2.9Å; D132-G140 PolarHBondContact OD2-N 3.45Å; D132-V320 HydrophobicContact CB-CB 4.26Å; D132-V320 HydrophobicContact CB-CG1 4.29Å; D132-V320 HydrophobicContact CB-CG2 3.91Å
133	A	98.8	Very high	98.7	Very high	2 Å²	2	16.5 Å²	16.5	2%	0.017	9%	0.092	C	C	.	.	T	Hydrogen-bonded Turn	trans	-73	-14.4	174.1	0	0	0	0	0	113.1	A129 L131 A306 H310 L313 V320	A129-A133 PolarHBondContact O-N 3.04Å; A129-A133 VanDerWaalsContact O-N 3.08Å; L131-A133 PolarHBondContact O-N 3.35Å; L131-A133 VanDerWaalsContact O-N 3.16Å; A133-A306 WeakPolarHBondContact CB-O 3.15Å; A133-A306 WeakPolarHBondContact O-CB 3.38Å; A133-H310 HydrophobicContact CB-CB 3.91Å; A133-L313 HydrophobicContact CB-CD1 3.87Å; A133-L313 WeakPolarHBondContact O-CD1 3.17Å; A133-V320 HydrophobicContact CB-CG2 4.29Å
134	H	98.8	Very high	98.7	Very high	3 Å²	3	22.9 Å²	22.9	1%	0.014	11%	0.112	C	C	.	.	S	Bend	trans	-77.8	129.3	174.3	-165.5	-78.2	0	0	0	110.1	L131 D132 E136 V137 A302 S304 V307	L131-H134 WeakPolarHBondContact O-CB 3.45Å; L131-H134 PolarHBondContact O-N 2.97Å; D132-H134 PolarHBondContact O-N 3.25Å; H134-E136 PolarHBondContact ND1-N 3.48Å; H134-E136 PolarHBondContact O-N 3.46Å; H134-V137 HydrophobicContact CB-CB 4.15Å; H134-V137 HydrophobicContact CB-CG2 4Å; H134-V137 PolarHBondContact O-N 3.21Å; H134-A302 PolarHBondContact NE2-O 2.66Å; H134-S304 VanDerWaalsContact CD2-CB 3.43Å; H134-S304 WeakPolarHBondContact CD2-CB 3.16Å; H134-S304 WeakPolarHBondContact NE2-CB 3.28Å; H134-V307 HydrophobicContact CB-CG1 3.91Å
135	P	98.1	Very high	98.7	Very high	96 Å²	96	25.8 Å²	25.8	62%	0.623	13%	0.127	S	C	*	.	T	Hydrogen-bonded Turn	trans	-64.3	-12.2	-173.1	26.1	-36.5	0	0	0	115.1
136	E	98.2	Very high	98.7	Very high	62 Å²	62	25.7 Å²	25.7	29%	0.29	13%	0.127	S	C	.	.	T	Hydrogen-bonded Turn	trans	-104	-8.3	-179.7	-59.4	-179.9	-166.2	0	0	113.8	H134 R196 V197	H134-E136 PolarHBondContact ND1-N 3.48Å; H134-E136 PolarHBondContact O-N 3.46Å; E136-R196 HydrophobicContact CB-CB 4.35Å; E136-R196 PolarHBondContact O-N 3.02Å; E136-R196 IonicContact OE2-CZ 3.86Å; E136-R196 IonicContact OE2-NE 2.9Å; E136-R196 PolarHBondContact OE2-NE 2.98Å; E136-R196 IonicContact OE2-NH2 2.66Å; E136-R196 PolarHBondContact OE2-NH2 3.38Å; E136-V197 PolarHBondContact O-N 3.26Å
137	V	98.8	Very high	98.6	Very high	6 Å²	6	26.2 Å²	26.2	4%	0.036	13%	0.131	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120	134	-169.4	-175.3	0	0	0	0	110.3	I114 L131 H134 V197 C199 I301	I114-V137 HydrophobicContact CD1-CG1 4.06Å; L131-V137 HydrophobicContact CB-CG1 4.15Å; L131-V137 WeakPolarHBondContact O-CB 3.49Å; H134-V137 HydrophobicContact CB-CB 4.15Å; H134-V137 HydrophobicContact CB-CG2 4Å; H134-V137 PolarHBondContact O-N 3.21Å; V137-V197 WeakPolarHBondContact CA-O 3.43Å; V137-V197 HydrophobicContact CG2-CB 4.14Å; V137-V197 HydrophobicContact CG2-CG1 4.48Å; V137-C199 HydrophobicContact CG1-CB 4.14Å; V137-I301 HydrophobicContact CG2-CD1 3.8Å
138	R	98.7	Very high	98.6	Very high	17 Å²	17	33.4 Å²	33.4	6%	0.064	16%	0.158	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.8	119.4	167.3	-171.4	-82.6	-64.7	165.4	-5.6	110.9	I188 A189 H191 E193 A195 V197 C199	R138-I188 VanDerWaalsContact CZ-O 3.23Å; R138-I188 PolarHBondContact NH1-O 2.75Å; R138-I188 PolarHBondContact NH2-O 2.82Å; R138-A189 PolarHBondContact NH2-O 3.32Å; R138-H191 PolarHBondContact NH1-CE1 3.01Å; R138-H191 PolarHBondContact NH1-NE2 3.1Å; R138-H191 VanDerWaalsContact NH1-NE2 3.13Å; R138-E193 PolarHBondContact NE-O 3.23Å; R138-E193 PolarHBondContact NH2-O 2.71Å; R138-A195 HydrophobicContact CB-CB 3.57Å; R138-V197 PolarHBondContact N-O 3Å; R138-C199 WeakPolarHBondContact O-CB 3.28Å; R138-C199 PolarHBondContact O-N 3.18Å
139	C	98.8	Very high	98.6	Very high	0 Å²	0	34.4 Å²	34.4	0%	0	16%	0.164	C	C	.	.			trans	-93.4	-60.6	167.5	-60.5	0	0	0	0	111.4	R128 D132 H191 C199	R128-C139 HydrophobicContact CB-CB 3.86Å; D132-C139 WeakPolarHBondContact OD1-CA 3.38Å; D132-C139 PolarHBondContact OD1-N 3.01Å; C139-H191 PolarHBondContact O-CE1 3.49Å; C139-H191 VanDerWaalsContact O-CE1 3.23Å; C139-H191 PolarHBondContact O-NE2 3.04Å; C139-C199 WeakPolarHBondContact CA-O 3.49Å; C139-C199 HydrophobicContact CB-CB 3.68Å; C139-C199 WeakPolarHBondContact CB-SG 3.44Å; C139-C199 WeakPolarHBondContact SG-CB 3.44Å; C139-C199 CovalentContact SG-SG 2.03Å; C139-C199 PolarHBondContact SG-SG 3.38Å
140	G	98.3	Very high	98.6	Very high	2 Å²	2	34.6 Å²	34.6	2%	0.021	17%	0.165	C	C	.	.			trans	76.8	-159	-172.4	0	0	0	0	0	114.7	R128 D132	R128-G140 VanDerWaalsContact CD-O 3.32Å; R128-G140 WeakPolarHBondContact CD-O 3.44Å; R128-G140 VanDerWaalsContact CZ-O 3.24Å; R128-G140 PolarHBondContact NE-O 3.42Å; R128-G140 PolarHBondContact NH1-O 3.08Å; D132-G140 PolarHBondContact OD1-N 2.9Å; D132-G140 PolarHBondContact OD2-N 3.45Å
141	E	98.6	Very high	98.5	Very high	41 Å²	41	37.5 Å²	37.5	19%	0.192	19%	0.189	C	C	.	.	S	Bend	trans	-77.3	170.5	-175.6	-62.8	86.4	171	0	0	114.2	T143 S321 E326	E141-T143 PolarHBondContact O-N 2.89Å; E141-S321 VanDerWaalsContact OE1-CB 3.28Å; E141-S321 WeakPolarHBondContact OE1-CB 3.29Å; E141-S321 PolarHBondContact OE1-OG 3.32Å; E141-E326 WeakPolarHBondContact CB-OE1 3.3Å
142	E	98.7	Very high	98.5	Very high	48 Å²	48	42.2 Å²	42.2	22%	0.224	21%	0.212	C	C	.	.			trans	-66.5	122.9	169.3	-65	-173.8	167.6	0	0	110.7	R144 K201 P203 E326	E142-R144 VanDerWaalsContact C-N 3.33Å; E142-R144 HydrophobicContact CB-CG 4.34Å; E142-K201 VanDerWaalsContact CD-NZ 3.28Å; E142-K201 HydrophobicContact CG-CD 4.28Å; E142-K201 IonicContact OE1-NZ 2.88Å; E142-K201 PolarHBondContact OE1-NZ 3.41Å; E142-P203 WeakPolarHBondContact OE1-CD 3.34Å; E142-E326 PolarHBondContact N-OE1 2.97Å
143	T	98.6	Very high	98.5	Very high	26 Å²	26	43.1 Å²	43.1	16%	0.16	22%	0.216	C	C	.	.			trans	-75.7	-27.2	-178.6	71.2	0	0	0	0	111.9	E141 I145 I146 V187 N200 D202	E141-T143 PolarHBondContact O-N 2.89Å; T143-I145 PolarHBondContact O-N 3.33Å; T143-I146 HydrophobicContact CG2-CD1 3.96Å; T143-I146 WeakPolarHBondContact OG1-CD1 3.03Å; T143-I146 WeakPolarHBondContact OG1-CG1 3.31Å; T143-V187 HydrophobicContact CG2-CG1 3.8Å; T143-N200 VanDerWaalsContact CG2-ND2 3.33Å; T143-N200 WeakPolarHBondContact CG2-ND2 3.36Å; T143-D202 WeakPolarHBondContact CB-OD2 3.39Å; T143-D202 PolarHBondContact N-OD1 2.89Å; T143-D202 PolarHBondContact N-OD2 3.41Å; T143-D202 PolarHBondContact OG1-OD2 3.5Å
144	R	98.1	Very high	98.4	Very high	148 Å²	148	47.6 Å²	47.6	56%	0.558	24%	0.236	S	C	*	.	S	Bend	trans	63.1	-28.3	-177.8	-46.8	179.4	64.2	71.1	-2.7	115.1	E142 P147 R148 D202	E142-R144 VanDerWaalsContact C-N 3.33Å; E142-R144 HydrophobicContact CB-CG 4.34Å; R144-P147 WeakPolarHBondContact O-CG 3.29Å; R144-R148 WeakPolarHBondContact O-CG 3.36Å; R144-D202 WeakPolarHBondContact CA-OD1 3.35Å; R144-D202 PolarHBondContact N-OD1 2.92Å
145	I	98.6	Very high	98.3	Very high	65 Å²	65	50.2 Å²	50.2	33%	0.333	26%	0.258	S	S	.	.	H	α-helix	trans	-81.6	-37	-177.1	-169.5	59.2	0	0	0	112	T143 R148 V149 F183 V187	T143-I145 PolarHBondContact O-N 3.33Å; I145-R148 WeakPolarHBondContact O-CB 3.35Å; I145-R148 PolarHBondContact O-N 2.94Å; I145-V149 HydrophobicContact CD1-CG1 4.3Å; I145-V149 HydrophobicContact CG1-CG1 4.34Å; I145-V149 PolarHBondContact O-N 2.97Å; I145-F183 HydrophobicContact CG1-CE1 3.95Å; I145-F183 HydrophobicContact CG1-CZ 3.68Å; I145-F183 HydrophobicContact CG2-CE1 4.45Å; I145-V187 HydrophobicContact CG2-CG1 3.93Å; I145-V187 HydrophobicContact CG2-CG2 4.05Å
146	I	98.8	Very high	98.3	Very high	0 Å²	0	50 Å²	50	0%	0	25%	0.245	C	C	.	.	H	α-helix	trans	-55.9	-53.2	178	-64.9	174.2	0	0	0	111.8	T143 R148 V149 L150 I184 V187 I188 T205	T143-I146 HydrophobicContact CG2-CD1 3.96Å; T143-I146 WeakPolarHBondContact OG1-CD1 3.03Å; T143-I146 WeakPolarHBondContact OG1-CG1 3.31Å; I146-R148 PolarHBondContact O-N 2.7Å; I146-V149 VanDerWaalsContact O-CG2 3.24Å; I146-V149 WeakPolarHBondContact O-CG2 3.34Å; I146-V149 PolarHBondContact O-N 2.96Å; I146-L150 HydrophobicContact CG2-CD1 3.87Å; I146-L150 HydrophobicContact CG2-CG 4.43Å; I146-L150 WeakPolarHBondContact O-CB 3.47Å; I146-L150 VanDerWaalsContact O-CG 3.31Å; I146-L150 WeakPolarHBondContact O-CG 3.19Å; I146-L150 PolarHBondContact O-N 3.24Å; I146-I184 HydrophobicContact CD1-CG2 4.25Å; I146-I184 HydrophobicContact CG2-CG1 4.34Å; I146-I184 HydrophobicContact CG2-CG2 4.45Å; I146-V187 HydrophobicContact CD1-CB 4.4Å; I146-V187 HydrophobicContact CD1-CG1 3.97Å; I146-V187 HydrophobicContact CG1-CB 4.4Å; I146-V187 HydrophobicContact CG1-CG1 4.04Å; I146-I188 HydrophobicContact CD1-CD1 4.24Å; I146-I188 HydrophobicContact CD1-CG1 3.7Å; I146-T205 HydrophobicContact CB-CG2 4.47Å; I146-T205 HydrophobicContact CG2-CG2 3.77Å
147	P	98.3	Very high	98.1	Very high	31 Å²	31	48.8 Å²	48.8	20%	0.201	24%	0.243	C	C	.	.	H	α-helix	trans	-63.7	-25.4	177.6	24.4	-34.8	0	0	0	113.5	R144 A151 D202 T205	R144-P147 WeakPolarHBondContact O-CG 3.29Å; P147-A151 WeakPolarHBondContact O-CB 3.23Å; P147-A151 PolarHBondContact O-N 3.47Å; P147-A151 VanDerWaalsContact O-N 3.08Å; P147-D202 HydrophobicContact CG-CB 4.06Å; P147-T205 HydrophobicContact CB-CG2 4.2Å
148	R	98.4	Very high	97.9	Very high	152 Å²	152	57 Å²	57	57%	0.574	28%	0.279	S	S	*	.	H	α-helix	trans	-72	-48.4	176.3	-71.3	176.9	-172.4	-86.3	0.9	111.8	R144 I145 I146 L150 A151 M152	R144-R148 WeakPolarHBondContact O-CG 3.36Å; I145-R148 WeakPolarHBondContact O-CB 3.35Å; I145-R148 PolarHBondContact O-N 2.94Å; I146-R148 PolarHBondContact O-N 2.7Å; R148-L150 VanDerWaalsContact C-N 3.3Å; R148-L150 PolarHBondContact O-N 2.81Å; R148-A151 WeakPolarHBondContact O-CB 3.17Å; R148-A151 PolarHBondContact O-N 2.79Å; R148-M152 WeakPolarHBondContact O-CG 3.33Å; R148-M152 PolarHBondContact O-N 2.86Å
149	V	98.6	Very high	97.9	Very high	20 Å²	20	58.8 Å²	58.8	12%	0.121	29%	0.294	C	S	.	.	H	α-helix	trans	-66.8	-34.8	178.5	-61.9	0	0	0	0	111.5	I145 I146 M152 R153 M180 F183	I145-V149 HydrophobicContact CD1-CG1 4.3Å; I145-V149 HydrophobicContact CG1-CG1 4.34Å; I145-V149 PolarHBondContact O-N 2.97Å; I146-V149 VanDerWaalsContact O-CG2 3.24Å; I146-V149 WeakPolarHBondContact O-CG2 3.34Å; I146-V149 PolarHBondContact O-N 2.96Å; V149-M152 PolarHBondContact O-N 2.88Å; V149-R153 PolarHBondContact O-N 3.47Å; V149-M180 HydrophobicContact CB-CE 4.22Å; V149-M180 HydrophobicContact CB-SD 4.44Å; V149-M180 HydrophobicContact CG2-CE 3.98Å; V149-F183 HydrophobicContact CB-CD1 4.5Å; V149-F183 HydrophobicContact CB-CE1 4.28Å; V149-F183 HydrophobicContact CG1-CD1 4.22Å; V149-F183 HydrophobicContact CG1-CE1 3.63Å; V149-F183 HydrophobicContact CG1-CZ 3.89Å; V149-F183 HydrophobicContact CG2-CD1 3.85Å; V149-F183 HydrophobicContact CG2-CE1 3.75Å
150	L	98.6	Very high	97.8	Very high	4 Å²	4	61.5 Å²	61.5	2%	0.021	32%	0.322	C	S	.	.	H	α-helix	trans	-61.2	-43.7	171.3	-73.1	170.6	0	0	0	111.6	I146 R148 R153 Q154 M180 I184 T205 Y211 L212	I146-L150 HydrophobicContact CG2-CD1 3.87Å; I146-L150 HydrophobicContact CG2-CG 4.43Å; I146-L150 WeakPolarHBondContact O-CB 3.47Å; I146-L150 VanDerWaalsContact O-CG 3.31Å; I146-L150 WeakPolarHBondContact O-CG 3.19Å; I146-L150 PolarHBondContact O-N 3.24Å; R148-L150 VanDerWaalsContact C-N 3.3Å; R148-L150 PolarHBondContact O-N 2.81Å; L150-R153 PolarHBondContact O-N 2.97Å; L150-Q154 VanDerWaalsContact O-CB 3.28Å; L150-Q154 WeakPolarHBondContact O-CB 3.14Å; L150-Q154 PolarHBondContact O-N 3.3Å; L150-M180 HydrophobicContact CD2-CE 3.93Å; L150-M180 HydrophobicContact CG-CE 4.39Å; L150-I184 HydrophobicContact CD2-CD1 4.07Å; L150-I184 HydrophobicContact CG-CD1 4.46Å; L150-T205 HydrophobicContact CD1-CG2 3.98Å; L150-Y211 HydrophobicContact CD2-CD1 3.85Å; L150-Y211 HydrophobicContact CD2-CE1 4.06Å; L150-L212 HydrophobicContact CD1-CD1 4.19Å; L150-L212 HydrophobicContact CD1-CD2 4.34Å; L150-L212 HydrophobicContact CD1-CG 4.43Å; L150-L212 HydrophobicContact CD2-CD2 4.09Å; L150-L212 HydrophobicContact CD2-CG 4.41Å
151	A	97.8	Very high	97.7	Very high	62 Å²	62	71 Å²	71	51%	0.512	36%	0.357	S	S	.	.	H	α-helix	trans	-64.5	-38.7	176.2	0	0	0	0	0	112.5	P147 R148 A155	P147-A151 WeakPolarHBondContact O-CB 3.23Å; P147-A151 PolarHBondContact O-N 3.47Å; P147-A151 VanDerWaalsContact O-N 3.08Å; R148-A151 WeakPolarHBondContact O-CB 3.17Å; R148-A151 PolarHBondContact O-N 2.79Å; A151-A155 WeakPolarHBondContact O-CB 3.42Å; A151-A155 PolarHBondContact O-N 3.5Å
152	M	98.2	Very high	97.7	Very high	99 Å²	99	71.9 Å²	71.9	49%	0.488	36%	0.361	S	S	.	.	H	α-helix	trans	-63.3	-50.6	175	-69.3	168.9	62.4	0	0	111.4	R148 V149 Q154 A155 W156	R148-M152 WeakPolarHBondContact O-CG 3.33Å; R148-M152 PolarHBondContact O-N 2.86Å; V149-M152 PolarHBondContact O-N 2.88Å; M152-Q154 VanDerWaalsContact C-N 3.31Å; M152-Q154 PolarHBondContact O-N 3.2Å; M152-A155 WeakPolarHBondContact O-CB 3.42Å; M152-A155 PolarHBondContact O-N 3.08Å; M152-A155 VanDerWaalsContact O-N 3.1Å; M152-W156 HydrophobicContact CB-CH2 4.47Å; M152-W156 HydrophobicContact CB-CZ2 4.26Å; M152-W156 HydrophobicContact CE-CH2 4.34Å; M152-W156 HydrophobicContact CE-CZ2 4.01Å; M152-W156 PolarHBondContact O-N 2.84Å; M152-W156 VanDerWaalsContact O-N 3.14Å
153	R	98.1	Very high	97.6	Very high	21 Å²	21	72.8 Å²	72.8	8%	0.079	37%	0.365	C	S	.	.	H	α-helix	trans	-56.3	-47.3	175.9	-168.9	-74.6	-165.9	-132.2	-7.7	111	V149 L150 A155 W156 S157 D173 D177 M180 Y211	V149-R153 PolarHBondContact O-N 3.47Å; L150-R153 PolarHBondContact O-N 2.97Å; R153-A155 VanDerWaalsContact C-N 3.27Å; R153-A155 PolarHBondContact O-N 3.21Å; R153-W156 HydrophobicContact CB-CE3 4.45Å; R153-W156 PolarHBondContact O-N 3.46Å; R153-S157 PolarHBondContact NH1-OG 2.96Å; R153-S157 PolarHBondContact O-N 3.36Å; R153-S157 PolarHBondContact O-OG 3.03Å; R153-D173 IonicContact CZ-OD1 3.77Å; R153-D173 IonicContact NH1-OD1 2.71Å; R153-D173 PolarHBondContact NH1-OD1 3.11Å; R153-D173 IonicContact NH2-OD1 3.01Å; R153-D173 PolarHBondContact NH2-OD1 2.93Å; R153-D177 IonicContact CZ-OD1 2.7Å; R153-D177 IonicContact NE-OD1 2.67Å; R153-D177 IonicContact NH2-OD1 3.06Å; R153-D177 PolarHBondContact NH2-OD1 3.15Å; R153-M180 HydrophobicContact CB-CE 3.96Å; R153-M180 HydrophobicContact CB-SD 4.1Å; R153-M180 HydrophobicContact CG-CE 4.38Å; R153-M180 HydrophobicContact CG-CG 4.08Å; R153-M180 HydrophobicContact CG-SD 4.31Å; R153-Y211 HydrophobicContact CG-CE1 4.25Å; R153-Y211 PolarHBondContact NE-OH 3.16Å
154	Q	97.1	Very high	97.6	Very high	97 Å²	97	76.7 Å²	76.7	45%	0.453	38%	0.384	S	S	.	.	H	α-helix	trans	-59.3	-37.7	178.6	-176	64.3	73	0	0	112.6	L150 M152 S157 K158	L150-Q154 VanDerWaalsContact O-CB 3.28Å; L150-Q154 WeakPolarHBondContact O-CB 3.14Å; L150-Q154 PolarHBondContact O-N 3.3Å; M152-Q154 VanDerWaalsContact C-N 3.31Å; M152-Q154 PolarHBondContact O-N 3.2Å; Q154-S157 PolarHBondContact O-N 2.03Å; Q154-K158 WeakPolarHBondContact O-CB 3.29Å; Q154-K158 PolarHBondContact O-N 2.89Å
155	A	97.4	Very high	97.6	Very high	57 Å²	57	77.3 Å²	77.3	47%	0.471	39%	0.386	S	S	.	.	H	α-helix	trans	-66.8	-42.6	178.2	0	0	0	0	0	112.1	A151 M152 R153 S157 K158 S159	A151-A155 WeakPolarHBondContact O-CB 3.42Å; A151-A155 PolarHBondContact O-N 3.5Å; M152-A155 WeakPolarHBondContact O-CB 3.42Å; M152-A155 PolarHBondContact O-N 3.08Å; M152-A155 VanDerWaalsContact O-N 3.1Å; R153-A155 VanDerWaalsContact C-N 3.27Å; R153-A155 PolarHBondContact O-N 3.21Å; A155-S157 VanDerWaalsContact C-N 3.3Å; A155-S157 PolarHBondContact O-N 3.15Å; A155-K158 PolarHBondContact O-N 3.25Å; A155-S159 PolarHBondContact O-N 2.87Å
156	W	97.4	Very high	97.6	Very high	91 Å²	91	75.6 Å²	75.6	35%	0.345	38%	0.378	S	S	.	.	H	α-helix	trans	-59	-42.4	175.8	-59.7	-32	0	0	0	111.9	M152 R153 E162 L166 L176	M152-W156 HydrophobicContact CB-CH2 4.47Å; M152-W156 HydrophobicContact CB-CZ2 4.26Å; M152-W156 HydrophobicContact CE-CH2 4.34Å; M152-W156 HydrophobicContact CE-CZ2 4.01Å; M152-W156 PolarHBondContact O-N 2.84Å; M152-W156 VanDerWaalsContact O-N 3.14Å; R153-W156 HydrophobicContact CB-CE3 4.45Å; R153-W156 PolarHBondContact O-N 3.46Å; W156-E162 HydrophobicContact CB-CG 4.5Å; W156-L166 HydrophobicContact CB-CD1 3.91Å; W156-L166 HydrophobicContact CG-CD1 4.35Å; W156-L176 HydrophobicContact CE3-CD2 4.16Å; W156-L176 HydrophobicContact CZ3-CD2 4.12Å
157	S	94.5	Very high	97.5	Very high	37 Å²	37	78.3 Å²	78.3	26%	0.259	39%	0.392	S	S	.	.	H	α-helix	trans	-76.2	-27.8	-178.7	-42.3	0	0	0	0	113.8	R153 Q154 A155 S159	R153-S157 PolarHBondContact NH1-OG 2.96Å; R153-S157 PolarHBondContact O-N 3.36Å; R153-S157 PolarHBondContact O-OG 3.03Å; Q154-S157 PolarHBondContact O-N 2.03Å; A155-S157 VanDerWaalsContact C-N 3.3Å; A155-S157 PolarHBondContact O-N 3.15Å; S157-S159 VanDerWaalsContact C-N 3.34Å
158	K	95.3	Very high	97.5	Very high	180 Å²	180	84.6 Å²	84.6	78%	0.783	42%	0.419	S	S	*	.	H	α-helix	trans	-72.4	-29.9	177.5	-173	177.2	179.6	-176.5	0	111.9	Q154 A155 G160	Q154-K158 WeakPolarHBondContact O-CB 3.29Å; Q154-K158 PolarHBondContact O-N 2.89Å; A155-K158 PolarHBondContact O-N 3.25Å; K158-G160 PolarHBondContact O-N 3.23Å
159	S	97.3	Very high	97.5	Very high	53 Å²	53	80.8 Å²	80.8	37%	0.371	42%	0.42	S	S	.	.			trans	-87	106.2	178.5	176.4	0	0	0	0	110.6	A155 S157 R161 E162 K163	A155-S159 PolarHBondContact O-N 2.87Å; S157-S159 VanDerWaalsContact C-N 3.34Å; S159-R161 VanDerWaalsContact C-N 3.25Å; S159-R161 PolarHBondContact O-N 2.96Å; S159-E162 PolarHBondContact O-N 3.47Å; S159-E162 VanDerWaalsContact O-N 3.08Å; S159-E162 PolarHBondContact OG-N 3.5Å; S159-K163 PolarHBondContact O-N 3.2Å
160	G	96.7	Very high	97.4	Very high	58 Å²	58	82.1 Å²	82.1	60%	0.598	44%	0.437	S	S	*	.	H	α-helix	trans	-57.7	-36.8	179.5	0	0	0	0	0	113.5	K158 L164	K158-G160 PolarHBondContact O-N 3.23Å; G160-L164 PolarHBondContact O-N 2.84Å
161	R	97.4	Very high	97.4	Very high	200 Å²	200	84.1 Å²	84.1	76%	0.755	45%	0.45	S	S	*	.	H	α-helix	trans	-66.9	-41	175.8	-175.8	174.8	-177.8	161.4	1.2	112.1	S159 R165	S159-R161 VanDerWaalsContact C-N 3.25Å; S159-R161 PolarHBondContact O-N 2.96Å; R161-R165 WeakPolarHBondContact O-CG 3.39Å; R161-R165 PolarHBondContact O-N 2.92Å
162	E	98	Very high	97.4	Very high	61 Å²	61	83.2 Å²	83.2	29%	0.285	44%	0.438	S	S	.	.	H	α-helix	trans	-70.2	-41.8	179	-171.1	63.2	-176.5	0	0	111	W156 S159 L164 R165 L166	W156-E162 HydrophobicContact CB-CG 4.5Å; S159-E162 PolarHBondContact O-N 3.47Å; S159-E162 VanDerWaalsContact O-N 3.08Å; S159-E162 PolarHBondContact OG-N 3.5Å; E162-L164 VanDerWaalsContact C-N 3.31Å; E162-L164 PolarHBondContact O-N 3.41Å; E162-R165 PolarHBondContact O-N 2.93Å; E162-R165 VanDerWaalsContact O-N 3.13Å; E162-L166 HydrophobicContact CG-CD1 4.18Å; E162-L166 WeakPolarHBondContact O-CG 3.22Å; E162-L166 PolarHBondContact O-N 3.16Å
163	K	96.9	Very high	97.3	Very high	67 Å²	67	80.5 Å²	80.5	29%	0.291	43%	0.425	S	S	.	.	H	α-helix	trans	-55.5	-47.1	173.6	-167.7	-171.1	-176.8	-53.2	0	111.5	S159 R165 L166 D167 D173	S159-K163 PolarHBondContact O-N 3.2Å; K163-R165 VanDerWaalsContact C-N 3.32Å; K163-R165 PolarHBondContact O-N 3.44Å; K163-L166 PolarHBondContact O-N 2.94Å; K163-D167 VanDerWaalsContact NZ-CG 3.3Å; K163-D167 IonicContact NZ-OD1 2.92Å; K163-D167 PolarHBondContact NZ-OD1 3.34Å; K163-D167 IonicContact NZ-OD2 3.94Å; K163-D167 PolarHBondContact NZ-OD2 3.44Å; K163-D167 WeakPolarHBondContact O-CB 3.24Å; K163-D167 PolarHBondContact O-N 2.79Å; K163-D173 IonicContact NZ-OD2 3.32Å
164	L	97.8	Very high	97.3	Very high	107 Å²	107	85.6 Å²	85.6	56%	0.56	45%	0.45	S	S	*	.	H	α-helix	trans	-59.5	-42	177.7	-172.3	71.7	0	0	0	112	G160 E162 L166 D167 E168	G160-L164 PolarHBondContact O-N 2.84Å; E162-L164 VanDerWaalsContact C-N 3.31Å; E162-L164 PolarHBondContact O-N 3.41Å; L164-L166 VanDerWaalsContact C-N 3.35Å; L164-L166 PolarHBondContact O-N 3.39Å; L164-D167 PolarHBondContact O-N 2.86Å; L164-E168 WeakPolarHBondContact O-CB 3.5Å; L164-E168 VanDerWaalsContact O-CG 3.28Å; L164-E168 WeakPolarHBondContact O-CG 3.31Å; L164-E168 PolarHBondContact O-N 3.5Å
165	R	98.4	Very high	97.3	Very high	162 Å²	162	83.8 Å²	83.8	61%	0.611	45%	0.445	S	S	*	.	H	α-helix	trans	-64.4	-39.6	177.3	-68.4	177.4	77.6	174.6	6.2	112.4	R161 E162 K163 A169	R161-R165 WeakPolarHBondContact O-CG 3.39Å; R161-R165 PolarHBondContact O-N 2.92Å; E162-R165 PolarHBondContact O-N 2.93Å; E162-R165 VanDerWaalsContact O-N 3.13Å; K163-R165 VanDerWaalsContact C-N 3.32Å; K163-R165 PolarHBondContact O-N 3.44Å; R165-A169 WeakPolarHBondContact O-CB 3.48Å; R165-A169 PolarHBondContact O-N 3.44Å; R165-A169 VanDerWaalsContact O-N 3.09Å
166	L	98.3	Very high	97.3	Very high	29 Å²	29	82 Å²	82	15%	0.152	43%	0.428	C	S	.	.	H	α-helix	trans	-67.1	-44.7	177.1	-70.2	168.8	0	0	0	111	W156 E162 K163 L164 A169 G170 V171 L176	W156-L166 HydrophobicContact CB-CD1 3.91Å; W156-L166 HydrophobicContact CG-CD1 4.35Å; E162-L166 HydrophobicContact CG-CD1 4.18Å; E162-L166 WeakPolarHBondContact O-CG 3.22Å; E162-L166 PolarHBondContact O-N 3.16Å; K163-L166 PolarHBondContact O-N 2.94Å; L164-L166 VanDerWaalsContact C-N 3.35Å; L164-L166 PolarHBondContact O-N 3.39Å; L166-A169 CarbonylContact O-C 3.56Å; L166-A169 PolarHBondContact O-N 3.46Å; L166-A169 VanDerWaalsContact O-N 3.13Å; L166-G170 PolarHBondContact O-N 3.39Å; L166-V171 HydrophobicContact CB-CB 4.27Å; L166-V171 HydrophobicContact CD2-CB 4.05Å; L166-V171 HydrophobicContact CD2-CG1 4.06Å; L166-V171 WeakPolarHBondContact O-CA 3.38Å; L166-V171 PolarHBondContact O-N 3.2Å; L166-L176 HydrophobicContact CD1-CD1 4.44Å
167	D	97.4	Very high	97.4	Very high	57 Å²	57	78.2 Å²	78.2	31%	0.305	42%	0.415	S	S	.	.	H	α-helix	trans	-59.7	-48.2	176.9	-67.1	-21	0	0	0	110.7	K163 L164 A169 G170	K163-D167 VanDerWaalsContact NZ-CG 3.3Å; K163-D167 IonicContact NZ-OD1 2.92Å; K163-D167 PolarHBondContact NZ-OD1 3.34Å; K163-D167 IonicContact NZ-OD2 3.94Å; K163-D167 PolarHBondContact NZ-OD2 3.44Å; K163-D167 WeakPolarHBondContact O-CB 3.24Å; K163-D167 PolarHBondContact O-N 2.79Å; L164-D167 PolarHBondContact O-N 2.86Å; D167-A169 PolarHBondContact O-N 3.38Å; D167-G170 PolarHBondContact O-N 2.71Å
168	E	98	Very high	97.5	Very high	162 Å²	162	77.6 Å²	77.6	76%	0.757	41%	0.412	S	S	*	.	H	α-helix	trans	-62.8	-27.7	175.8	-71.4	-70.5	130.1	0	0	113.1	L164 G170	L164-E168 WeakPolarHBondContact O-CB 3.5Å; L164-E168 VanDerWaalsContact O-CG 3.28Å; L164-E168 WeakPolarHBondContact O-CG 3.31Å; L164-E168 PolarHBondContact O-N 3.5Å; E168-G170 VanDerWaalsContact C-N 3.27Å
169	A	98.3	Very high	97.6	Very high	73 Å²	73	71.3 Å²	71.3	60%	0.603	39%	0.393	S	S	*	.	T	Hydrogen-bonded Turn	trans	-83.1	0.4	174.9	0	0	0	0	0	113.4	R165 L166 D167 V171	R165-A169 WeakPolarHBondContact O-CB 3.48Å; R165-A169 PolarHBondContact O-N 3.44Å; R165-A169 VanDerWaalsContact O-N 3.09Å; L166-A169 CarbonylContact O-C 3.56Å; L166-A169 PolarHBondContact O-N 3.46Å; L166-A169 VanDerWaalsContact O-N 3.13Å; D167-A169 PolarHBondContact O-N 3.38Å; A169-V171 HydrophobicContact CB-CG2 4.23Å; A169-V171 PolarHBondContact O-N 2.96Å
170	G	97.2	Very high	97.7	Very high	47 Å²	47	69.5 Å²	69.5	49%	0.485	38%	0.379	S	S	.	.	T	Hydrogen-bonded Turn	trans	73.4	12.9	-175.2	0	0	0	0	0	114.2	L166 D167 E168 T172	L166-G170 PolarHBondContact O-N 3.39Å; D167-G170 PolarHBondContact O-N 2.71Å; E168-G170 VanDerWaalsContact C-N 3.27Å; G170-T172 VanDerWaalsContact C-N 3.29Å; G170-T172 PolarHBondContact O-N 2.69Å
171	V	98.1	Very high	97.7	Very high	46 Å²	46	68.1 Å²	68.1	28%	0.279	36%	0.357	S	S	.	.			trans	-92.2	65.8	175.4	-170.7	0	0	0	0	108.5	L166 A169 V175 L176	L166-V171 HydrophobicContact CB-CB 4.27Å; L166-V171 HydrophobicContact CD2-CB 4.05Å; L166-V171 HydrophobicContact CD2-CG1 4.06Å; L166-V171 WeakPolarHBondContact O-CA 3.38Å; L166-V171 PolarHBondContact O-N 3.2Å; A169-V171 HydrophobicContact CB-CG2 4.23Å; A169-V171 PolarHBondContact O-N 2.96Å; V171-V175 HydrophobicContact CG1-CG1 4.46Å; V171-L176 HydrophobicContact CG1-CD2 3.77Å; V171-L176 HydrophobicContact CG1-CG 3.96Å
172	T	97.6	Very high	97.7	Very high	44 Å²	44	61.1 Å²	61.1	27%	0.27	34%	0.342	S	S	.	.			trans	-71.8	172.6	-176.3	70	0	0	0	0	112.3	G170 E174 V175 L176	G170-T172 VanDerWaalsContact C-N 3.29Å; G170-T172 PolarHBondContact O-N 2.69Å; T172-E174 WeakPolarHBondContact CB-OE2 3.49Å; T172-E174 PolarHBondContact O-N 3.15Å; T172-E174 PolarHBondContact OG1-N 2.92Å; T172-E174 PolarHBondContact OG1-OE2 3.34Å; T172-V175 PolarHBondContact O-N 3.17Å; T172-V175 VanDerWaalsContact O-N 3.14Å; T172-L176 WeakPolarHBondContact O-CG 3.43Å; T172-L176 PolarHBondContact O-N 2.92Å
173	D	97.1	Very high	97.8	Very high	41 Å²	41	62.2 Å²	62.2	22%	0.219	35%	0.346	C	S	.	.	H	α-helix	trans	-56.8	-34.9	174.4	-83.3	-54.9	0	0	0	112.1	R153 K163 L176 D177	R153-D173 IonicContact CZ-OD1 3.77Å; R153-D173 IonicContact NH1-OD1 2.71Å; R153-D173 PolarHBondContact NH1-OD1 3.11Å; R153-D173 IonicContact NH2-OD1 3.01Å; R153-D173 PolarHBondContact NH2-OD1 2.93Å; K163-D173 IonicContact NZ-OD2 3.32Å; D173-L176 PolarHBondContact O-N 3.45Å; D173-D177 WeakPolarHBondContact O-CB 3.32Å; D173-D177 PolarHBondContact O-N 3.1Å
174	E	96.8	Very high	97.8	Very high	128 Å²	128	59 Å²	59	60%	0.598	33%	0.332	S	S	*	.	H	α-helix	trans	-65.1	-43	176.3	-60.8	70.9	-151.2	0	0	111.9	T172 D177 A178	T172-E174 WeakPolarHBondContact CB-OE2 3.49Å; T172-E174 PolarHBondContact O-N 3.15Å; T172-E174 PolarHBondContact OG1-N 2.92Å; T172-E174 PolarHBondContact OG1-OE2 3.34Å; E174-D177 PolarHBondContact O-N 2.96Å; E174-A178 WeakPolarHBondContact O-CB 3.15Å; E174-A178 PolarHBondContact O-N 3.11Å
175	V	97.8	Very high	97.8	Very high	59 Å²	59	54.4 Å²	54.4	36%	0.358	31%	0.308	S	S	.	.	H	α-helix	trans	-66.4	-43.7	177.9	176.9	0	0	0	0	110.5	V171 T172 A179	V171-V175 HydrophobicContact CG1-CG1 4.46Å; T172-V175 PolarHBondContact O-N 3.17Å; T172-V175 VanDerWaalsContact O-N 3.14Å; V175-A179 WeakPolarHBondContact O-CB 3.22Å; V175-A179 PolarHBondContact O-N 3.28Å
176	L	98.1	Very high	97.8	Very high	20 Å²	20	49.7 Å²	49.7	11%	0.105	29%	0.293	C	S	.	.	H	α-helix	trans	-64.2	-44.7	176.4	-71.3	171.6	0	0	0	111.5	W156 L166 V171 T172 D173 A179 M180	W156-L176 HydrophobicContact CE3-CD2 4.16Å; W156-L176 HydrophobicContact CZ3-CD2 4.12Å; L166-L176 HydrophobicContact CD1-CD1 4.44Å; V171-L176 HydrophobicContact CG1-CD2 3.77Å; V171-L176 HydrophobicContact CG1-CG 3.96Å; T172-L176 WeakPolarHBondContact O-CG 3.43Å; T172-L176 PolarHBondContact O-N 2.92Å; D173-L176 PolarHBondContact O-N 3.45Å; L176-A179 PolarHBondContact O-N 3.38Å; L176-M180 WeakPolarHBondContact O-CB 3.43Å; L176-M180 WeakPolarHBondContact O-CG 3.44Å; L176-M180 PolarHBondContact O-N 3.45Å
177	D	98.1	Very high	97.8	Very high	12 Å²	12	49.8 Å²	49.8	6%	0.064	29%	0.294	C	S	.	.	H	α-helix	trans	-63.3	-43.2	-179.8	-74.5	-5.1	0	0	0	111	R153 D173 E174 M180 Q181 Y211 R214 L215	R153-D177 IonicContact CZ-OD1 2.7Å; R153-D177 IonicContact NE-OD1 2.67Å; R153-D177 IonicContact NH2-OD1 3.06Å; R153-D177 PolarHBondContact NH2-OD1 3.15Å; D173-D177 WeakPolarHBondContact O-CB 3.32Å; D173-D177 PolarHBondContact O-N 3.1Å; E174-D177 PolarHBondContact O-N 2.96Å; D177-M180 PolarHBondContact O-N 3.4Å; D177-Q181 WeakPolarHBondContact O-CB 3.38Å; D177-Q181 VanDerWaalsContact O-CG 3.24Å; D177-Q181 WeakPolarHBondContact O-CG 3.44Å; D177-Q181 PolarHBondContact O-N 2.92Å; D177-Y211 WeakPolarHBondContact OD1-CE2 3.3Å; D177-Y211 VanDerWaalsContact OD1-CZ 3.3Å; D177-Y211 PolarHBondContact OD1-OH 3.34Å; D177-R214 IonicContact OD2-CZ 3.68Å; D177-R214 IonicContact OD2-NE 2.81Å; D177-R214 PolarHBondContact OD2-NE 2.7Å; D177-R214 IonicContact OD2-NH2 3.7Å; D177-R214 PolarHBondContact OD2-NH2 3.16Å; D177-L215 HydrophobicContact CB-CD2 3.55Å
178	A	97	Very high	97.9	Very high	24 Å²	24	47.1 Å²	47.1	20%	0.198	28%	0.28	C	S	.	.	H	α-helix	trans	-62.3	-44.2	174.7	0	0	0	0	0	112.3	M88 E174 Q181 A182	M88-A178 HydrophobicContact SD-CB 4.23Å; E174-A178 WeakPolarHBondContact O-CB 3.15Å; E174-A178 PolarHBondContact O-N 3.11Å; A178-Q181 PolarHBondContact O-N 2.99Å; A178-A182 WeakPolarHBondContact O-CB 3.47Å; A178-A182 PolarHBondContact O-N 3.23Å
179	A	97.8	Very high	97.9	Very high	48 Å²	48	39.4 Å²	39.4	40%	0.397	24%	0.244	S	C	.	.	H	α-helix	trans	-64.5	-41.7	177.1	0	0	0	0	0	112.1	V175 L176 F183	V175-A179 WeakPolarHBondContact O-CB 3.22Å; V175-A179 PolarHBondContact O-N 3.28Å; L176-A179 PolarHBondContact O-N 3.38Å; A179-F183 VanDerWaalsContact O-CB 3.3Å; A179-F183 WeakPolarHBondContact O-CB 3.4Å; A179-F183 PolarHBondContact O-N 3.09Å
180	M	98.6	Very high	97.8	Very high	15 Å²	15	42 Å²	42	7%	0.074	24%	0.242	C	C	.	.	H	α-helix	trans	-66.5	-41.8	177	-72.1	-65	-67.1	0	0	111.9	V149 L150 R153 L176 D177 F183 I184 Y211 L215	V149-M180 HydrophobicContact CB-CE 4.22Å; V149-M180 HydrophobicContact CB-SD 4.44Å; V149-M180 HydrophobicContact CG2-CE 3.98Å; L150-M180 HydrophobicContact CD2-CE 3.93Å; L150-M180 HydrophobicContact CG-CE 4.39Å; R153-M180 HydrophobicContact CB-CE 3.96Å; R153-M180 HydrophobicContact CB-SD 4.1Å; R153-M180 HydrophobicContact CG-CE 4.38Å; R153-M180 HydrophobicContact CG-CG 4.08Å; R153-M180 HydrophobicContact CG-SD 4.31Å; L176-M180 WeakPolarHBondContact O-CB 3.43Å; L176-M180 WeakPolarHBondContact O-CG 3.44Å; L176-M180 PolarHBondContact O-N 3.45Å; D177-M180 PolarHBondContact O-N 3.4Å; M180-F183 PolarHBondContact O-N 3.36Å; M180-I184 HydrophobicContact CE-CD1 4.09Å; M180-I184 VanDerWaalsContact O-CB 3.31Å; M180-I184 WeakPolarHBondContact O-CB 3.38Å; M180-I184 VanDerWaalsContact O-CG1 3.24Å; M180-I184 WeakPolarHBondContact O-CG1 3.17Å; M180-I184 PolarHBondContact O-N 2.96Å; M180-Y211 HydrophobicContact CE-CE1 4.47Å; M180-L215 HydrophobicContact CB-CD1 3.88Å
181	Q	98.1	Very high	97.9	Very high	29 Å²	29	42.5 Å²	42.5	14%	0.136	23%	0.232	C	C	.	.	H	α-helix	trans	-57.4	-54	173.8	-79.6	165.2	-9.2	0	0	110.9	D177 A178 F183 I184 L185 L215 F216	D177-Q181 WeakPolarHBondContact O-CB 3.38Å; D177-Q181 VanDerWaalsContact O-CG 3.24Å; D177-Q181 WeakPolarHBondContact O-CG 3.44Å; D177-Q181 PolarHBondContact O-N 2.92Å; A178-Q181 PolarHBondContact O-N 2.99Å; Q181-F183 PolarHBondContact O-N 3.3Å; Q181-I184 PolarHBondContact O-N 3.1Å; Q181-L185 WeakPolarHBondContact O-CB 3.34Å; Q181-L185 PolarHBondContact O-N 2.8Å; Q181-L215 HydrophobicContact CG-CB 3.87Å; Q181-L215 HydrophobicContact CG-CD1 4.41Å; Q181-L215 HydrophobicContact CG-CD2 4.05Å; Q181-L215 HydrophobicContact CG-CG 4.32Å; Q181-L215 PolarHBondContact NE2-O 3.36Å; Q181-F216 HydrophobicContact CB-CE1 4.43Å; Q181-F216 HydrophobicContact CB-CZ 4.41Å; Q181-F216 HydrophobicContact CG-CE1 4.31Å; Q181-F216 HydrophobicContact CG-CZ 4.35Å
182	A	96.9	Very high	97.8	Very high	53 Å²	53	41.8 Å²	41.8	44%	0.438	23%	0.233	S	C	.	.	H	α-helix	trans	-59.6	-47.1	-179.3	0	0	0	0	0	111.6	A178 E186	A178-A182 WeakPolarHBondContact O-CB 3.47Å; A178-A182 PolarHBondContact O-N 3.23Å; A182-E186 WeakPolarHBondContact O-CB 3.38Å; A182-E186 VanDerWaalsContact O-CG 3.29Å; A182-E186 WeakPolarHBondContact O-CG 3.49Å; A182-E186 PolarHBondContact O-N 3.06Å
183	F	98.6	Very high	97.7	Very high	84 Å²	84	44.7 Å²	44.7	37%	0.368	24%	0.244	S	C	.	.	H	α-helix	trans	-61.7	-52.1	179.8	-176.9	-84.9	0	0	0	112.3	I145 V149 A179 M180 Q181 L185 E186 V187	I145-F183 HydrophobicContact CG1-CE1 3.95Å; I145-F183 HydrophobicContact CG1-CZ 3.68Å; I145-F183 HydrophobicContact CG2-CE1 4.45Å; V149-F183 HydrophobicContact CB-CD1 4.5Å; V149-F183 HydrophobicContact CB-CE1 4.28Å; V149-F183 HydrophobicContact CG1-CD1 4.22Å; V149-F183 HydrophobicContact CG1-CE1 3.63Å; V149-F183 HydrophobicContact CG1-CZ 3.89Å; V149-F183 HydrophobicContact CG2-CD1 3.85Å; V149-F183 HydrophobicContact CG2-CE1 3.75Å; A179-F183 VanDerWaalsContact O-CB 3.3Å; A179-F183 WeakPolarHBondContact O-CB 3.4Å; A179-F183 PolarHBondContact O-N 3.09Å; M180-F183 PolarHBondContact O-N 3.36Å; Q181-F183 PolarHBondContact O-N 3.3Å; F183-L185 VanDerWaalsContact C-N 3.33Å; F183-L185 PolarHBondContact O-N 2.98Å; F183-E186 PolarHBondContact O-N 3.14Å; F183-V187 HydrophobicContact CD1-CG2 4.35Å; F183-V187 HydrophobicContact CE1-CG2 3.96Å; F183-V187 HydrophobicContact CZ-CG2 4.29Å; F183-V187 WeakPolarHBondContact O-CG2 3.33Å; F183-V187 PolarHBondContact O-N 3.36Å; F183-V187 VanDerWaalsContact O-N 3.15Å
184	I	98.7	Very high	97.7	Very high	0 Å²	0	43.9 Å²	43.9	0%	0	24%	0.241	C	C	.	.	H	α-helix	trans	-63.2	-44.2	-177.7	-69.7	170.8	0	0	0	109.9	I146 L150 M180 Q181 V187 I188 L212 L215 F216	I146-I184 HydrophobicContact CD1-CG2 4.25Å; I146-I184 HydrophobicContact CG2-CG1 4.34Å; I146-I184 HydrophobicContact CG2-CG2 4.45Å; L150-I184 HydrophobicContact CD2-CD1 4.07Å; L150-I184 HydrophobicContact CG-CD1 4.46Å; M180-I184 HydrophobicContact CE-CD1 4.09Å; M180-I184 VanDerWaalsContact O-CB 3.31Å; M180-I184 WeakPolarHBondContact O-CB 3.38Å; M180-I184 VanDerWaalsContact O-CG1 3.24Å; M180-I184 WeakPolarHBondContact O-CG1 3.17Å; M180-I184 PolarHBondContact O-N 2.96Å; Q181-I184 PolarHBondContact O-N 3.1Å; I184-V187 PolarHBondContact O-N 3.4Å; I184-I188 HydrophobicContact CG2-CD1 3.6Å; I184-I188 HydrophobicContact CG2-CG1 4.19Å; I184-I188 VanDerWaalsContact O-CG1 3.29Å; I184-I188 WeakPolarHBondContact O-CG1 3.43Å; I184-I188 PolarHBondContact O-N 2.92Å; I184-L212 HydrophobicContact CD1-CD2 4Å; I184-L215 HydrophobicContact CD1-CD1 4.37Å; I184-F216 HydrophobicContact CB-CE2 4.25Å; I184-F216 HydrophobicContact CB-CZ 4.1Å; I184-F216 HydrophobicContact CD1-CE2 4.47Å; I184-F216 HydrophobicContact CG2-CE2 3.83Å; I184-F216 HydrophobicContact CG2-CZ 3.95Å
185	L	97.9	Very high	97.7	Very high	10 Å²	10	38.4 Å²	38.4	5%	0.052	22%	0.218	C	C	.	.	H	α-helix	trans	-66.4	-41.1	-177.1	-174.9	64.4	0	0	0	112.1	Y107 M111 L113 Q181 F183 V187 I188 A189 F216	Y107-L185 HydrophobicContact CD2-CD1 3.98Å; Y107-L185 HydrophobicContact CD2-CD2 3.79Å; Y107-L185 HydrophobicContact CD2-CG 3.6Å; Y107-L185 HydrophobicContact CE2-CD2 4.3Å; Y107-L185 HydrophobicContact CE2-CG 4.03Å; M111-L185 HydrophobicContact SD-CD1 3.81Å; L113-L185 HydrophobicContact CD1-CD1 4.49Å; Q181-L185 WeakPolarHBondContact O-CB 3.34Å; Q181-L185 PolarHBondContact O-N 2.8Å; F183-L185 VanDerWaalsContact C-N 3.33Å; F183-L185 PolarHBondContact O-N 2.98Å; L185-V187 VanDerWaalsContact C-N 3.34Å; L185-V187 PolarHBondContact O-N 3.33Å; L185-I188 PolarHBondContact O-N 2.79Å; L185-A189 WeakPolarHBondContact O-CB 3.49Å; L185-A189 PolarHBondContact O-N 3.04Å; L185-F216 HydrophobicContact CB-CE1 4.33Å; L185-F216 HydrophobicContact CB-CZ 4.48Å
186	E	97.9	Very high	97.7	Very high	63 Å²	63	41.6 Å²	41.6	29%	0.294	22%	0.223	S	C	.	.	H	α-helix	trans	-59.4	-44.2	173.6	-81.2	-70.5	122.5	0	0	112	L95 Y107 A182 F183 K190	L95-E186 WeakPolarHBondContact CD1-OE1 3.33Å; Y107-E186 PolarHBondContact OH-OE1 2.69Å; A182-E186 WeakPolarHBondContact O-CB 3.38Å; A182-E186 VanDerWaalsContact O-CG 3.29Å; A182-E186 WeakPolarHBondContact O-CG 3.49Å; A182-E186 PolarHBondContact O-N 3.06Å; F183-E186 PolarHBondContact O-N 3.14Å; E186-K190 WeakPolarHBondContact O-CB 3.27Å; E186-K190 PolarHBondContact O-N 2.86Å; E186-K190 IonicContact OE1-NZ 3.11Å; E186-K190 PolarHBondContact OE1-NZ 2.67Å; E186-K190 WeakPolarHBondContact OE2-CD 3.43Å; E186-K190 VanDerWaalsContact OE2-CE 3.26Å; E186-K190 WeakPolarHBondContact OE2-CE 3.2Å; E186-K190 IonicContact OE2-NZ 2.67Å; E186-K190 PolarHBondContact OE2-NZ 3.26Å
187	V	98.6	Very high	97.7	Very high	30 Å²	30	40.9 Å²	40.9	18%	0.182	22%	0.22	C	C	.	.	H	α-helix	trans	-61.3	-56	175.8	174.5	0	0	0	0	109.8	T143 I145 I146 F183 I184 L185 A189 K190 H191	T143-V187 HydrophobicContact CG2-CG1 3.8Å; I145-V187 HydrophobicContact CG2-CG1 3.93Å; I145-V187 HydrophobicContact CG2-CG2 4.05Å; I146-V187 HydrophobicContact CD1-CB 4.4Å; I146-V187 HydrophobicContact CD1-CG1 3.97Å; I146-V187 HydrophobicContact CG1-CB 4.4Å; I146-V187 HydrophobicContact CG1-CG1 4.04Å; F183-V187 HydrophobicContact CD1-CG2 4.35Å; F183-V187 HydrophobicContact CE1-CG2 3.96Å; F183-V187 HydrophobicContact CZ-CG2 4.29Å; F183-V187 WeakPolarHBondContact O-CG2 3.33Å; F183-V187 PolarHBondContact O-N 3.36Å; F183-V187 VanDerWaalsContact O-N 3.15Å; I184-V187 PolarHBondContact O-N 3.4Å; L185-V187 VanDerWaalsContact C-N 3.34Å; L185-V187 PolarHBondContact O-N 3.33Å; V187-A189 VanDerWaalsContact C-N 3.33Å; V187-A189 PolarHBondContact O-N 3.48Å; V187-K190 PolarHBondContact O-N 2.8Å; V187-H191 VanDerWaalsContact O-CB 3.32Å; V187-H191 WeakPolarHBondContact O-CB 3.39Å; V187-H191 PolarHBondContact O-CD2 3.29Å; V187-H191 PolarHBondContact O-N 3.02Å
188	I	98.6	Very high	97.8	Very high	1 Å²	1	40.3 Å²	40.3	1%	0.005	22%	0.217	C	C	.	.	H	α-helix	trans	-55.7	-47.7	-177.8	-67.7	177.4	0	0	0	111	L113 F115 R138 I146 I184 L185 H191 L198 N200	L113-I188 HydrophobicContact CD1-CD1 4.2Å; L113-I188 HydrophobicContact CD2-CG2 4.11Å; F115-I188 HydrophobicContact CE1-CD1 3.74Å; F115-I188 HydrophobicContact CZ-CD1 3.85Å; R138-I188 VanDerWaalsContact CZ-O 3.23Å; R138-I188 PolarHBondContact NH1-O 2.75Å; R138-I188 PolarHBondContact NH2-O 2.82Å; I146-I188 HydrophobicContact CD1-CD1 4.24Å; I146-I188 HydrophobicContact CD1-CG1 3.7Å; I184-I188 HydrophobicContact CG2-CD1 3.6Å; I184-I188 HydrophobicContact CG2-CG1 4.19Å; I184-I188 VanDerWaalsContact O-CG1 3.29Å; I184-I188 WeakPolarHBondContact O-CG1 3.43Å; I184-I188 PolarHBondContact O-N 2.92Å; L185-I188 PolarHBondContact O-N 2.79Å; I188-H191 PolarHBondContact O-CD2 2.99Å; I188-L198 HydrophobicContact CG2-CB 3.9Å; I188-L198 HydrophobicContact CG2-CD1 4.14Å; I188-N200 HydrophobicContact CD1-CB 3.88Å; I188-N200 HydrophobicContact CG1-CB 4Å
189	A	97.7	Very high	97.9	Very high	0 Å²	0	39.2 Å²	39.2	0%	0	21%	0.207	C	C	.	.	H	α-helix	trans	-63.6	-50.3	-179.4	0	0	0	0	0	111.8	M97 Y107 R138 L185 V187 L198	M97-A189 HydrophobicContact CE-CB 4.09Å; M97-A189 VanDerWaalsContact SD-C 3.55Å; M97-A189 HydrophobicContact SD-CB 3.67Å; Y107-A189 HydrophobicContact CD1-CB 4.15Å; Y107-A189 HydrophobicContact CD2-CB 3.68Å; Y107-A189 HydrophobicContact CE1-CB 4.08Å; Y107-A189 HydrophobicContact CE2-CB 3.58Å; Y107-A189 HydrophobicContact CG-CB 3.95Å; R138-A189 PolarHBondContact NH2-O 3.32Å; L185-A189 WeakPolarHBondContact O-CB 3.49Å; L185-A189 PolarHBondContact O-N 3.04Å; V187-A189 VanDerWaalsContact C-N 3.33Å; V187-A189 PolarHBondContact O-N 3.48Å; A189-L198 HydrophobicContact CB-CD1 4.19Å
190	K	97.6	Very high	97.9	Very high	128 Å²	128	37 Å²	37	56%	0.557	19%	0.189	S	C	*	.	H	α-helix	trans	-97.4	-7.3	-164.4	-62.7	-177.2	177.7	164.7	0	115.8	Y107 E186 V187 G192	Y107-K190 WeakPolarHBondContact OH-CE 3.36Å; E186-K190 WeakPolarHBondContact O-CB 3.27Å; E186-K190 PolarHBondContact O-N 2.86Å; E186-K190 IonicContact OE1-NZ 3.11Å; E186-K190 PolarHBondContact OE1-NZ 2.67Å; E186-K190 WeakPolarHBondContact OE2-CD 3.43Å; E186-K190 VanDerWaalsContact OE2-CE 3.26Å; E186-K190 WeakPolarHBondContact OE2-CE 3.2Å; E186-K190 IonicContact OE2-NZ 2.67Å; E186-K190 PolarHBondContact OE2-NZ 3.26Å; V187-K190 PolarHBondContact O-N 2.8Å; K190-G192 PolarHBondContact O-N 3.37Å
191	H	98	Very high	97.9	Very high	58 Å²	58	36.2 Å²	36.2	27%	0.269	19%	0.185	S	C	.	.	T	Hydrogen-bonded Turn	trans	-76.1	-6.1	179.9	84	79.2	0	0	0	114.3	R138 C139 V187 I188	R138-H191 PolarHBondContact NH1-CE1 3.01Å; R138-H191 PolarHBondContact NH1-NE2 3.1Å; R138-H191 VanDerWaalsContact NH1-NE2 3.13Å; C139-H191 PolarHBondContact O-CE1 3.49Å; C139-H191 VanDerWaalsContact O-CE1 3.23Å; C139-H191 PolarHBondContact O-NE2 3.04Å; V187-H191 VanDerWaalsContact O-CB 3.32Å; V187-H191 WeakPolarHBondContact O-CB 3.39Å; V187-H191 PolarHBondContact O-CD2 3.29Å; V187-H191 PolarHBondContact O-N 3.02Å; I188-H191 PolarHBondContact O-CD2 2.99Å
192	G	96.6	Very high	98	Very high	31 Å²	31	35 Å²	35	32%	0.32	18%	0.18	S	C	.	.	S	Bend	trans	-159.1	-174	-179.8	0	0	0	0	0	111.9	K190	K190-G192 PolarHBondContact O-N 3.37Å
193	E	95.3	Very high	98	Very high	105 Å²	105	33 Å²	33	49%	0.491	16%	0.162	S	C	.	.			trans	-59.1	147.3	179.8	-66.3	-65.5	141.5	0	0	112.1	R138	R138-E193 PolarHBondContact NE-O 3.23Å; R138-E193 PolarHBondContact NH2-O 2.71Å
194	P	97.3	Very high	98	Very high	24 Å²	24	31.9 Å²	31.9	16%	0.156	16%	0.157	C	C	.	.			trans	-70.7	148.4	173.3	30.5	-33.5	0	0	0	111.2	M97 Y105	M97-P194 HydrophobicContact CB-CB 3.82Å; M97-P194 HydrophobicContact CB-CG 4.49Å; M97-P194 HydrophobicContact CE-CB 3.98Å; M97-P194 HydrophobicContact SD-CB 4.04Å; Y105-P194 HydrophobicContact CD2-CB 3.56Å; Y105-P194 HydrophobicContact CD2-CG 3.91Å; Y105-P194 HydrophobicContact CE2-CB 4.05Å; Y105-P194 HydrophobicContact CE2-CG 4.03Å; Y105-P194 HydrophobicContact CG-CB 3.93Å
195	A	97.4	Very high	98	Very high	13 Å²	13	31.9 Å²	31.9	11%	0.107	16%	0.157	C	C	.	.			trans	-149.5	163.5	174.8	0	0	0	0	0	110	R138 V197	R138-A195 HydrophobicContact CB-CB 3.57Å; A195-V197 VanDerWaalsContact C-N 3.29Å; A195-V197 PolarHBondContact O-N 2.97Å
196	R	97.3	Very high	98	Very high	126 Å²	126	31.4 Å²	31.4	48%	0.475	16%	0.155	S	C	.	.	S	Bend	trans	-60.3	-40.5	178.8	-170	-173.2	74	76.9	-5.1	111.8	E136	E136-R196 HydrophobicContact CB-CB 4.35Å; E136-R196 PolarHBondContact O-N 3.02Å; E136-R196 IonicContact OE2-CZ 3.86Å; E136-R196 IonicContact OE2-NE 2.9Å; E136-R196 PolarHBondContact OE2-NE 2.98Å; E136-R196 IonicContact OE2-NH2 2.66Å; E136-R196 PolarHBondContact OE2-NH2 3.38Å
197	V	98.5	Very high	98	Very high	5 Å²	5	33.1 Å²	33.1	3%	0.03	16%	0.161	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119	121.3	178.2	-177.3	0	0	0	0	108.7	I114 E136 V137 R138 A195 I301	I114-V197 HydrophobicContact CD1-CG1 3.63Å; I114-V197 HydrophobicContact CG1-CG1 3.99Å; E136-V197 PolarHBondContact O-N 3.26Å; V137-V197 WeakPolarHBondContact CA-O 3.43Å; V137-V197 HydrophobicContact CG2-CB 4.14Å; V137-V197 HydrophobicContact CG2-CG1 4.48Å; R138-V197 PolarHBondContact N-O 3Å; A195-V197 VanDerWaalsContact C-N 3.29Å; A195-V197 PolarHBondContact O-N 2.97Å; V197-I301 HydrophobicContact CG1-CD1 4.15Å; V197-I301 HydrophobicContact CG2-CD1 4.33Å
198	L	98.8	Very high	98	Very high	0 Å²	0	32.2 Å²	32.2	0%	0	16%	0.156	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94	142.7	176.6	-65.5	-178.5	0	0	0	111	M97 M111 L113 I114 I188 A189	M97-L198 HydrophobicContact CE-CD1 3.9Å; M97-L198 HydrophobicContact CE-CD2 4.38Å; M111-L198 HydrophobicContact CE-CB 3.88Å; M111-L198 HydrophobicContact CE-CD1 3.61Å; M111-L198 HydrophobicContact CE-CG 3.64Å; M111-L198 HydrophobicContact SD-CD1 4.01Å; L113-L198 WeakPolarHBondContact CA-O 3.46Å; L113-L198 HydrophobicContact CD2-CB 3.72Å; I114-L198 PolarHBondContact N-O 3.29Å; I188-L198 HydrophobicContact CG2-CB 3.9Å; I188-L198 HydrophobicContact CG2-CD1 4.14Å; A189-L198 HydrophobicContact CB-CD1 4.19Å
199	C	98.9	Very high	98	Very high	0 Å²	0	32.2 Å²	32.2	0%	0	16%	0.156	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.7	150.2	-178.1	163.5	0	0	0	0	109.4	I114 V137 R138 C139	I114-C199 HydrophobicContact CB-CB 3.91Å; I114-C199 HydrophobicContact CD1-CB 4.46Å; I114-C199 CarbonylContact O-C 3.55Å; I114-C199 WeakPolarHBondContact O-CA 3.01Å; V137-C199 HydrophobicContact CG1-CB 4.14Å; R138-C199 WeakPolarHBondContact O-CB 3.28Å; R138-C199 PolarHBondContact O-N 3.18Å; C139-C199 WeakPolarHBondContact CA-O 3.49Å; C139-C199 HydrophobicContact CB-CB 3.68Å; C139-C199 WeakPolarHBondContact CB-SG 3.44Å; C139-C199 WeakPolarHBondContact SG-CB 3.44Å; C139-C199 CovalentContact SG-SG 2.03Å; C139-C199 PolarHBondContact SG-SG 3.38Å
200	N	98.9	Very high	98.1	Very high	1 Å²	1	34.2 Å²	34.2	1%	0.005	17%	0.168	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.3	137.6	169.6	174.8	-109.9	0	0	0	109.9	I114 F115 V116 T143 I188 D202	I114-N200 PolarHBondContact O-N 3.26Å; F115-N200 WeakPolarHBondContact CA-O 3.35Å; F115-N200 HydrophobicContact CD1-CB 4Å; F115-N200 HydrophobicContact CE1-CB 4.09Å; V116-N200 PolarHBondContact N-O 2.91Å; T143-N200 VanDerWaalsContact CG2-ND2 3.33Å; T143-N200 WeakPolarHBondContact CG2-ND2 3.36Å; I188-N200 HydrophobicContact CD1-CB 3.88Å; I188-N200 HydrophobicContact CG1-CB 4Å; N200-D202 PolarHBondContact ND2-OD2 2.98Å
201	K	98.8	Very high	98.2	Very high	0 Å²	0	29.6 Å²	29.6	0%	0	15%	0.147	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.8	101.2	171	-173	-81.9	-50.4	-160.3	0	109.8	V116 T125 R128 E142 E326	V116-K201 HydrophobicContact CB-CB 4.07Å; V116-K201 HydrophobicContact CB-CG 3.93Å; V116-K201 HydrophobicContact CG1-CG 3.99Å; V116-K201 WeakPolarHBondContact O-CA 3.45Å; T125-K201 PolarHBondContact OG1-NZ 3.38Å; R128-K201 HydrophobicContact CB-CB 3.81Å; R128-K201 HydrophobicContact CB-CG 4.02Å; R128-K201 HydrophobicContact CG-CB 3.88Å; R128-K201 HydrophobicContact CG-CD 4.46Å; R128-K201 HydrophobicContact CG-CG 3.9Å; E142-K201 VanDerWaalsContact CD-NZ 3.28Å; E142-K201 HydrophobicContact CG-CD 4.28Å; E142-K201 IonicContact OE1-NZ 2.88Å; E142-K201 PolarHBondContact OE1-NZ 3.41Å; K201-E326 IonicContact NZ-OE2 3.72Å; K201-E326 PolarHBondContact NZ-OE2 3.49Å
202	D	98.8	Very high	98.2	Very high	4 Å²	4	26.8 Å²	26.8	2%	0.021	14%	0.135	C	C	.	.			trans	-133	112.8	166.6	-86	-81.1	0	0	0	107.3	T143 R144 P147 N200 F204 T205	T143-D202 WeakPolarHBondContact CB-OD2 3.39Å; T143-D202 PolarHBondContact N-OD1 2.89Å; T143-D202 PolarHBondContact N-OD2 3.41Å; T143-D202 PolarHBondContact OG1-OD2 3.5Å; R144-D202 WeakPolarHBondContact CA-OD1 3.35Å; R144-D202 PolarHBondContact N-OD1 2.92Å; P147-D202 HydrophobicContact CG-CB 4.06Å; N200-D202 PolarHBondContact ND2-OD2 2.98Å; D202-F204 VanDerWaalsContact C-N 3.3Å; D202-F204 PolarHBondContact O-N 3.47Å; D202-T205 HydrophobicContact CB-CG2 3.47Å; D202-T205 VanDerWaalsContact CB-CG2 3.47Å; D202-T205 WeakPolarHBondContact O-CB 3.44Å; D202-T205 WeakPolarHBondContact O-CG2 3.27Å; D202-T205 PolarHBondContact O-N 3.13Å; D202-T205 PolarHBondContact O-OG1 3.16Å
203	P	98.3	Very high	98.3	Very high	10 Å²	10	26 Å²	26	7%	0.065	12%	0.124	C	C	.	.	G	3₁₀ helix	trans	-49.7	-44.1	-162.8	-31.1	35	0	0	0	115.2	G118 P120 E142 T205 M264	G118-P203 PolarHBondContact N-O 2.95Å; G118-P203 CarbonylContact O-C 3.42Å; G118-P203 WeakPolarHBondContact O-CA 3.16Å; G118-P203 WeakPolarHBondContact O-CB 3.43Å; P120-P203 HydrophobicContact CG-CB 3.79Å; P120-P203 HydrophobicContact CG-CG 4.15Å; E142-P203 WeakPolarHBondContact OE1-CD 3.34Å; P203-T205 PolarHBondContact O-N 3.02Å; P203-M264 WeakPolarHBondContact O-CE 3.36Å
204	F	98	Very high	98.4	Very high	61 Å²	61	28.3 Å²	28.3	27%	0.268	13%	0.128	S	C	.	.	G	3₁₀ helix	trans	-85.5	-1.3	-174.9	-68.8	-63.3	0	0	0	115.5	P120 D202 L206 K207 I242 A260 M264	P120-F204 HydrophobicContact CG-CD2 4.33Å; P120-F204 HydrophobicContact CG-CE2 3.54Å; P120-F204 HydrophobicContact CG-CZ 3.7Å; D202-F204 VanDerWaalsContact C-N 3.3Å; D202-F204 PolarHBondContact O-N 3.47Å; F204-L206 PolarHBondContact O-N 3.43Å; F204-K207 HydrophobicContact CD1-CD 4Å; F204-K207 HydrophobicContact CD1-CG 4.41Å; F204-K207 WeakPolarHBondContact O-CB 3.19Å; F204-K207 PolarHBondContact O-N 2.96Å; F204-K207 VanDerWaalsContact O-N 3.11Å; F204-I242 HydrophobicContact CE2-CG2 3.71Å; F204-I242 HydrophobicContact CZ-CG2 3.7Å; F204-A260 HydrophobicContact CE1-CB 4.35Å; F204-M264 HydrophobicContact CB-CE 4.49Å; F204-M264 HydrophobicContact CD1-CE 3.36Å; F204-M264 HydrophobicContact CE1-CE 3.93Å; F204-M264 HydrophobicContact CG-CE 4.29Å
205	T	98.6	Very high	98.5	Very high	0 Å²	0	27.2 Å²	27.2	0%	0	12%	0.121	C	C	.	.	G	3₁₀ helix	trans	-61.7	-28.8	174.1	55.4	0	0	0	0	112	I146 P147 L150 D202 P203 K207 S208	I146-T205 HydrophobicContact CB-CG2 4.47Å; I146-T205 HydrophobicContact CG2-CG2 3.77Å; P147-T205 HydrophobicContact CB-CG2 4.2Å; L150-T205 HydrophobicContact CD1-CG2 3.98Å; D202-T205 HydrophobicContact CB-CG2 3.47Å; D202-T205 VanDerWaalsContact CB-CG2 3.47Å; D202-T205 WeakPolarHBondContact O-CB 3.44Å; D202-T205 WeakPolarHBondContact O-CG2 3.27Å; D202-T205 PolarHBondContact O-N 3.13Å; D202-T205 PolarHBondContact O-OG1 3.16Å; P203-T205 PolarHBondContact O-N 3.02Å; T205-K207 PolarHBondContact O-N 3.45Å; T205-K207 VanDerWaalsContact O-N 3.17Å; T205-S208 CarbonylContact O-C 3.56Å; T205-S208 WeakPolarHBondContact O-CA 3.46Å; T205-S208 PolarHBondContact O-N 2.9Å
206	L	98.3	Very high	98.5	Very high	0 Å²	0	26.6 Å²	26.6	0%	0	12%	0.116	C	C	.	.	G	3₁₀ helix	trans	-69.8	-7.5	177.6	-80.3	-79.4	0	0	0	113.5	F115 F204 S208 F221 L223 M264	F115-L206 HydrophobicContact CB-CD2 4.31Å; F204-L206 PolarHBondContact O-N 3.43Å; L206-S208 PolarHBondContact O-N 3.39Å; L206-F221 HydrophobicContact CD1-CB 3.89Å; L206-F221 HydrophobicContact CD1-CD1 3.91Å; L206-F221 HydrophobicContact CD1-CG 4.31Å; L206-L223 HydrophobicContact CB-CD1 4.47Å; L206-M264 HydrophobicContact CB-CG 4.23Å; L206-M264 HydrophobicContact CB-SD 4.48Å
207	K	98.4	Very high	98.6	Very high	98 Å²	98	23.7 Å²	23.7	43%	0.426	11%	0.114	S	C	.	.	G	3₁₀ helix	trans	-70.2	-11	164.3	-66.5	-173.8	66.7	-179.5	0	112.7	F204 T205 M264	F204-K207 HydrophobicContact CD1-CD 4Å; F204-K207 HydrophobicContact CD1-CG 4.41Å; F204-K207 WeakPolarHBondContact O-CB 3.19Å; F204-K207 PolarHBondContact O-N 2.96Å; F204-K207 VanDerWaalsContact O-N 3.11Å; T205-K207 PolarHBondContact O-N 3.45Å; T205-K207 VanDerWaalsContact O-N 3.17Å; K207-M264 HydrophobicContact CD-CE 4.39Å; K207-M264 HydrophobicContact CG-CE 3.67Å; K207-M264 HydrophobicContact CG-CG 3.96Å
208	S	98.8	Very high	98.6	Very high	12 Å²	12	27.9 Å²	27.9	8%	0.084	14%	0.136	C	C	.	.	G	3₁₀ helix	trans	-128.6	27.4	-177.3	-56.8	0	0	0	0	110.9	T205 L206 V210 Y211 L212	T205-S208 CarbonylContact O-C 3.56Å; T205-S208 WeakPolarHBondContact O-CA 3.46Å; T205-S208 PolarHBondContact O-N 2.9Å; L206-S208 PolarHBondContact O-N 3.39Å; S208-V210 VanDerWaalsContact C-N 3.31Å; S208-V210 PolarHBondContact O-N 3.08Å; S208-Y211 PolarHBondContact O-N 3.12Å; S208-L212 WeakPolarHBondContact O-CB 3.23Å; S208-L212 WeakPolarHBondContact O-CG 3.41Å; S208-L212 PolarHBondContact O-N 3.02Å
209	S	98.8	Very high	98.6	Very high	0 Å²	0	28 Å²	28	0%	0	14%	0.136	C	C	.	.	H	α-helix	trans	-64.5	-33.2	-177.8	56.6	0	0	0	0	112.7	L212 S213 F221 Q267	S209-L212 PolarHBondContact O-N 2.82Å; S209-S213 VanDerWaalsContact O-CB 3.26Å; S209-S213 WeakPolarHBondContact O-CB 3.48Å; S209-S213 PolarHBondContact O-N 3.47Å; S209-F221 WeakPolarHBondContact O-CZ 3.42Å; S209-Q267 VanDerWaalsContact OG-CB 3.27Å; S209-Q267 WeakPolarHBondContact OG-CB 3.46Å
210	V	98.8	Very high	98.6	Very high	43 Å²	43	30.7 Å²	30.7	26%	0.261	15%	0.148	S	C	.	.	H	α-helix	trans	-60.7	-47.5	172.3	174.1	0	0	0	0	110.3	S208 S213 R214 Q267 E270 V271	S208-V210 VanDerWaalsContact C-N 3.31Å; S208-V210 PolarHBondContact O-N 3.08Å; V210-S213 PolarHBondContact O-N 3.02Å; V210-R214 PolarHBondContact O-N 3.37Å; V210-R214 VanDerWaalsContact O-N 3.08Å; V210-Q267 VanDerWaalsContact CB-OE1 3.29Å; V210-Q267 HydrophobicContact CG2-CB 4.19Å; V210-Q267 VanDerWaalsContact CG2-CD 3.45Å; V210-Q267 HydrophobicContact CG2-CG 4.38Å; V210-Q267 VanDerWaalsContact CG2-OE1 3.29Å; V210-E270 HydrophobicContact CG2-CB 4.02Å; V210-E270 HydrophobicContact CG2-CG 3.94Å; V210-V271 HydrophobicContact CB-CG2 4.21Å; V210-V271 HydrophobicContact CG2-CG2 3.69Å
211	Y	98.8	Very high	98.6	Very high	30 Å²	30	30.6 Å²	30.6	12%	0.118	15%	0.148	C	C	.	.	H	α-helix	trans	-64.8	-46.4	178.5	-178.2	-120.4	0	0	0	112	L150 R153 D177 M180 S208 S213 R214 L215	L150-Y211 HydrophobicContact CD2-CD1 3.85Å; L150-Y211 HydrophobicContact CD2-CE1 4.06Å; R153-Y211 HydrophobicContact CG-CE1 4.25Å; R153-Y211 PolarHBondContact NE-OH 3.16Å; D177-Y211 WeakPolarHBondContact OD1-CE2 3.3Å; D177-Y211 VanDerWaalsContact OD1-CZ 3.3Å; D177-Y211 PolarHBondContact OD1-OH 3.34Å; M180-Y211 HydrophobicContact CE-CE1 4.47Å; S208-Y211 PolarHBondContact O-N 3.12Å; Y211-S213 VanDerWaalsContact C-N 3.28Å; Y211-S213 PolarHBondContact O-N 2.67Å; Y211-R214 WeakPolarHBondContact O-CB 3.38Å; Y211-R214 PolarHBondContact O-N 3.14Å; Y211-R214 VanDerWaalsContact O-N 3.16Å; Y211-L215 HydrophobicContact CD1-CD1 4.22Å; Y211-L215 HydrophobicContact CE1-CD1 3.6Å; Y211-L215 HydrophobicContact CE1-CG 4.1Å; Y211-L215 HydrophobicContact CE2-CD1 4.44Å; Y211-L215 HydrophobicContact CE2-CD2 3.91Å; Y211-L215 HydrophobicContact CE2-CG 4.11Å; Y211-L215 WeakPolarHBondContact O-CG 3.32Å; Y211-L215 PolarHBondContact O-N 3.49Å
212	L	98.8	Very high	98.6	Very high	0 Å²	0	30.6 Å²	30.6	0%	0	15%	0.148	C	C	.	.	H	α-helix	trans	-61.4	-35.2	175.5	-74.6	172.1	0	0	0	112.2	F115 L150 I184 S208 S209 R214 L215 F216 F221	F115-L212 HydrophobicContact CD1-CD1 4.14Å; F115-L212 HydrophobicContact CE1-CD1 4.24Å; F115-L212 HydrophobicContact CE1-CD2 4.35Å; F115-L212 HydrophobicContact CG-CD1 4.42Å; F115-L212 HydrophobicContact CZ-CD2 4.23Å; L150-L212 HydrophobicContact CD1-CD1 4.19Å; L150-L212 HydrophobicContact CD1-CD2 4.34Å; L150-L212 HydrophobicContact CD1-CG 4.43Å; L150-L212 HydrophobicContact CD2-CD2 4.09Å; L150-L212 HydrophobicContact CD2-CG 4.41Å; I184-L212 HydrophobicContact CD1-CD2 4Å; S208-L212 WeakPolarHBondContact O-CB 3.23Å; S208-L212 WeakPolarHBondContact O-CG 3.41Å; S208-L212 PolarHBondContact O-N 3.02Å; S209-L212 PolarHBondContact O-N 2.82Å; L212-R214 VanDerWaalsContact C-N 3.34Å; L212-L215 PolarHBondContact O-N 2.94Å; L212-F216 HydrophobicContact CD2-CD2 4.35Å; L212-F216 HydrophobicContact CD2-CE2 4.27Å; L212-F216 PolarHBondContact O-N 2.65Å; L212-F221 HydrophobicContact CB-CE1 3.74Å; L212-F221 HydrophobicContact CB-CZ 3.76Å; L212-F221 HydrophobicContact CD1-CE1 4.17Å
213	S	98.8	Very high	98.6	Very high	14 Å²	14	30.4 Å²	30.4	10%	0.098	15%	0.147	C	C	.	.	H	α-helix	trans	-69.3	-32.9	176.8	-156.3	0	0	0	0	112.2	S209 V210 Y211 F216 P217 K275	S209-S213 VanDerWaalsContact O-CB 3.26Å; S209-S213 WeakPolarHBondContact O-CB 3.48Å; S209-S213 PolarHBondContact O-N 3.47Å; V210-S213 PolarHBondContact O-N 3.02Å; Y211-S213 VanDerWaalsContact C-N 3.28Å; Y211-S213 PolarHBondContact O-N 2.67Å; S213-F216 CarbonylContact O-C 3.55Å; S213-P217 WeakPolarHBondContact O-CA 3.3Å; S213-K275 PolarHBondContact OG-NZ 3.47Å
214	R	98.3	Very high	98.6	Very high	154 Å²	154	30 Å²	30	58%	0.581	14%	0.144	S	C	*	.	H	α-helix	trans	-67.6	-43.2	170.2	172.3	180	159.1	136.1	-1.5	111.4	D177 V210 Y211 L212	D177-R214 IonicContact OD2-CZ 3.68Å; D177-R214 IonicContact OD2-NE 2.81Å; D177-R214 PolarHBondContact OD2-NE 2.7Å; D177-R214 IonicContact OD2-NH2 3.7Å; D177-R214 PolarHBondContact OD2-NH2 3.16Å; V210-R214 PolarHBondContact O-N 3.37Å; V210-R214 VanDerWaalsContact O-N 3.08Å; Y211-R214 WeakPolarHBondContact O-CB 3.38Å; Y211-R214 PolarHBondContact O-N 3.14Å; Y211-R214 VanDerWaalsContact O-N 3.16Å; L212-R214 VanDerWaalsContact C-N 3.34Å
215	L	98.3	Very high	98.7	Very high	1 Å²	1	27 Å²	27	1%	0.005	13%	0.131	C	C	.	.	H	α-helix	trans	-67.8	-40.6	178.9	-66.2	-168.1	0	0	0	112.6	D177 M180 Q181 I184 Y211 L212	D177-L215 HydrophobicContact CB-CD2 3.55Å; M180-L215 HydrophobicContact CB-CD1 3.88Å; Q181-L215 HydrophobicContact CG-CB 3.87Å; Q181-L215 HydrophobicContact CG-CD1 4.41Å; Q181-L215 HydrophobicContact CG-CD2 4.05Å; Q181-L215 HydrophobicContact CG-CG 4.32Å; Q181-L215 PolarHBondContact NE2-O 3.36Å; I184-L215 HydrophobicContact CD1-CD1 4.37Å; Y211-L215 HydrophobicContact CD1-CD1 4.22Å; Y211-L215 HydrophobicContact CE1-CD1 3.6Å; Y211-L215 HydrophobicContact CE1-CG 4.1Å; Y211-L215 HydrophobicContact CE2-CD1 4.44Å; Y211-L215 HydrophobicContact CE2-CD2 3.91Å; Y211-L215 HydrophobicContact CE2-CG 4.11Å; Y211-L215 WeakPolarHBondContact O-CG 3.32Å; Y211-L215 PolarHBondContact O-N 3.49Å; L212-L215 PolarHBondContact O-N 2.94Å
216	F	98.5	Very high	98.7	Very high	0 Å²	0	27.7 Å²	27.7	0%	0	13%	0.133	C	C	.	.	S	Bend	trans	-124.4	85.8	-175.4	-57.4	-71.5	0	0	0	109.3	L113 F115 Q181 I184 L185 L212 S213 N218 S219	L113-F216 HydrophobicContact CD1-CB 4.27Å; L113-F216 HydrophobicContact CD1-CD1 3.73Å; L113-F216 HydrophobicContact CD1-CD2 4.14Å; L113-F216 HydrophobicContact CD1-CE1 4.05Å; L113-F216 HydrophobicContact CD1-CE2 4.42Å; L113-F216 HydrophobicContact CD1-CG 3.78Å; L113-F216 HydrophobicContact CD1-CZ 4.37Å; F115-F216 HydrophobicContact CE2-CD2 4.19Å; F115-F216 HydrophobicContact CZ-CD2 4.04Å; F115-F216 HydrophobicContact CZ-CE2 4.3Å; Q181-F216 HydrophobicContact CB-CE1 4.43Å; Q181-F216 HydrophobicContact CB-CZ 4.41Å; Q181-F216 HydrophobicContact CG-CE1 4.31Å; Q181-F216 HydrophobicContact CG-CZ 4.35Å; I184-F216 HydrophobicContact CB-CE2 4.25Å; I184-F216 HydrophobicContact CB-CZ 4.1Å; I184-F216 HydrophobicContact CD1-CE2 4.47Å; I184-F216 HydrophobicContact CG2-CE2 3.83Å; I184-F216 HydrophobicContact CG2-CZ 3.95Å; L185-F216 HydrophobicContact CB-CE1 4.33Å; L185-F216 HydrophobicContact CB-CZ 4.48Å; L212-F216 HydrophobicContact CD2-CD2 4.35Å; L212-F216 HydrophobicContact CD2-CE2 4.27Å; L212-F216 PolarHBondContact O-N 2.65Å; S213-F216 CarbonylContact O-C 3.55Å; F216-N218 PolarHBondContact O-N 3.25Å; F216-N218 VanDerWaalsContact O-N 3.12Å; F216-S219 VanDerWaalsContact O-CB 3.27Å; F216-S219 WeakPolarHBondContact O-CB 3.2Å; F216-S219 PolarHBondContact O-N 3.05Å; F216-S219 PolarHBondContact O-OG 3.46Å
217	P	98	Very high	98.7	Very high	65 Å²	65	27.7 Å²	27.7	42%	0.422	13%	0.133	S	C	.	.	T	Hydrogen-bonded Turn	trans	-66.4	-19.1	-167.6	24.6	-35	0	0	0	114.4	S213 K275	S213-P217 WeakPolarHBondContact O-CA 3.3Å; P217-K275 PolarHBondContact O-NZ 2.76Å
218	N	98.4	Very high	98.7	Very high	93 Å²	93	23 Å²	23	50%	0.497	11%	0.113	S	C	.	.	T	Hydrogen-bonded Turn	trans	-99.4	5	176.1	-65.3	-20.3	0	0	0	112.9	A110 F216	A110-N218 WeakPolarHBondContact O-CB 3.41Å; A110-N218 PolarHBondContact O-ND2 2.93Å; F216-N218 PolarHBondContact O-N 3.25Å; F216-N218 VanDerWaalsContact O-N 3.12Å
219	S	98.8	Very high	98.7	Very high	1 Å²	1	22.4 Å²	22.4	1%	0.007	11%	0.109	C	C	.	.			trans	-73.5	149.1	177.9	67.6	0	0	0	0	112.7	L113 F216 F221	L113-S219 CarbonylContact O-C 3.57Å; L113-S219 WeakPolarHBondContact O-CA 3.49Å; L113-S219 WeakPolarHBondContact O-CB 3.11Å; F216-S219 VanDerWaalsContact O-CB 3.27Å; F216-S219 WeakPolarHBondContact O-CB 3.2Å; F216-S219 PolarHBondContact O-N 3.05Å; F216-S219 PolarHBondContact O-OG 3.46Å; S219-F221 WeakPolarHBondContact OG-CZ 3.42Å
220	K	98.9	Very high	98.7	Very high	57 Å²	57	22.6 Å²	22.6	25%	0.248	11%	0.11	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.6	154	173.4	-70.9	175.8	179.8	-89.4	0	110.6	L113 I114 F115 D274 K275 F298 L299	L113-K220 PolarHBondContact O-N 2.87Å; I114-K220 WeakPolarHBondContact CA-O 3.14Å; F115-K220 PolarHBondContact N-O 3.16Å; K220-D274 PolarHBondContact NZ-O 3.37Å; K220-K275 CarbonylContact C-O 3.34Å; K220-K275 VanDerWaalsContact CA-O 3.3Å; K220-K275 WeakPolarHBondContact CA-O 3.25Å; K220-F298 HydrophobicContact CB-CE1 3.97Å; K220-F298 HydrophobicContact CB-CZ 4.09Å; K220-F298 HydrophobicContact CD-CE1 4.16Å; K220-F298 HydrophobicContact CD-CZ 4.2Å; K220-F298 WeakPolarHBondContact CD-O 3.47Å; K220-F298 WeakPolarHBondContact CE-O 3.41Å; K220-F298 HydrophobicContact CG-CE1 4.39Å; K220-F298 HydrophobicContact CG-CZ 4.2Å; K220-F298 PolarHBondContact NZ-O 3.38Å; K220-L299 HydrophobicContact CB-CD2 3.83Å; K220-L299 HydrophobicContact CD-CD2 3.99Å
221	F	98.9	Very high	98.7	Very high	0 Å²	0	20.5 Å²	20.5	0%	0	10%	0.098	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.8	129.3	-171.3	-59.6	-87.4	0	0	0	110.2	F115 L206 S209 L212 S219 V271 K275 C276 L277	F115-F221 HydrophobicContact CB-CD1 3.58Å; F115-F221 HydrophobicContact CB-CE1 3.8Å; F115-F221 HydrophobicContact CD2-CD1 4.28Å; F115-F221 AromaticContact CD2-CE1 3.71Å; F115-F221 HydrophobicContact CD2-CE1 3.71Å; F115-F221 HydrophobicContact CD2-CZ 4.17Å; F115-F221 HydrophobicContact CG-CD1 4.25Å; F115-F221 AromaticContact CG-CE1 3.95Å; F115-F221 HydrophobicContact CG-CE1 3.95Å; F115-F221 CarbonylContact O-C 3.48Å; F115-F221 WeakPolarHBondContact O-CA 3.31Å; L206-F221 HydrophobicContact CD1-CB 3.89Å; L206-F221 HydrophobicContact CD1-CD1 3.91Å; L206-F221 HydrophobicContact CD1-CG 4.31Å; S209-F221 WeakPolarHBondContact O-CZ 3.42Å; L212-F221 HydrophobicContact CB-CE1 3.74Å; L212-F221 HydrophobicContact CB-CZ 3.76Å; L212-F221 HydrophobicContact CD1-CE1 4.17Å; S219-F221 WeakPolarHBondContact OG-CZ 3.42Å; F221-V271 HydrophobicContact CD2-CG1 4.07Å; F221-V271 HydrophobicContact CE2-CG1 4.27Å; F221-K275 WeakPolarHBondContact CD2-O 3.39Å; F221-K275 PolarHBondContact N-O 3.08Å; F221-C276 HydrophobicContact CB-CB 3.97Å; F221-C276 WeakPolarHBondContact O-CA 3.42Å; F221-L277 PolarHBondContact O-N 2.71Å
222	L	98.9	Very high	98.7	Very high	0 Å²	0	19.1 Å²	19.1	0%	0	9%	0.092	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.5	106.8	169.3	-58.1	-176.9	0	0	0	108.3	I114 F115 V116 G117 M127 L131 M224 L277 V279 I295 F298 L299	I114-L222 HydrophobicContact CG2-CD1 4.38Å; I114-L222 HydrophobicContact CG2-CG 4.41Å; F115-L222 PolarHBondContact O-N 3.42Å; V116-L222 HydrophobicContact CG2-CB 4.29Å; V116-L222 HydrophobicContact CG2-CD1 4.24Å; G117-L222 PolarHBondContact N-O 3.49Å; M127-L222 HydrophobicContact CE-CD1 4.04Å; M127-L222 HydrophobicContact CG-CD1 4.25Å; M127-L222 HydrophobicContact SD-CD1 4.31Å; L131-L222 HydrophobicContact CD1-CD1 3.96Å; L222-M224 PolarHBondContact O-N 3.28Å; L222-L277 WeakPolarHBondContact CA-O 3.48Å; L222-L277 HydrophobicContact CD2-CB 4.02Å; L222-L277 HydrophobicContact CD2-CD2 4.2Å; L222-V279 HydrophobicContact CB-CG2 4.45Å; L222-V279 HydrophobicContact CD2-CG2 4.29Å; L222-I295 HydrophobicContact CD1-CG2 3.7Å; L222-I295 HydrophobicContact CD2-CG2 4.12Å; L222-F298 HydrophobicContact CD2-CD1 3.87Å; L222-F298 HydrophobicContact CD2-CE1 3.74Å; L222-L299 HydrophobicContact CD1-CD1 4.36Å; L222-L299 HydrophobicContact CD2-CD2 4.39Å
223	L	98.9	Very high	98.7	Very high	0 Å²	0	19.7 Å²	19.7	0%	0	10%	0.095	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.6	103.6	177.1	174.7	59.4	0	0	0	109.1	L206 V225 I261 M264 Y265 C268 L277 P278 V279	L206-L223 HydrophobicContact CB-CD1 4.47Å; L223-V225 HydrophobicContact CG-CG2 4.22Å; L223-V225 PolarHBondContact O-N 3.33Å; L223-I261 HydrophobicContact CD1-CD1 4.25Å; L223-M264 HydrophobicContact CD1-CB 3.83Å; L223-M264 HydrophobicContact CD1-SD 4.27Å; L223-M264 HydrophobicContact CD2-CB 4.34Å; L223-Y265 HydrophobicContact CD2-CD2 4.03Å; L223-C268 HydrophobicContact CD2-CB 3.78Å; L223-L277 PolarHBondContact N-O 2.74Å; L223-P278 CarbonylContact O-C 3.57Å; L223-P278 WeakPolarHBondContact O-CA 3.47Å; L223-V279 PolarHBondContact O-N 3.05Å
224	M	98.9	Very high	98.7	Very high	0 Å²	0	19 Å²	19	0%	0	9%	0.09	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-68.9	122.7	173.3	-62	-55	-57.6	0	0	110.5	V116 G117 T124 M127 L222 V279 L284	V116-M224 HydrophobicContact CG1-CG 4.17Å; G117-M224 VanDerWaalsContact O-CB 3.27Å; G117-M224 WeakPolarHBondContact O-CB 3.31Å; G117-M224 WeakPolarHBondContact O-CG 3.49Å; G117-M224 PolarHBondContact O-N 3.48Å; T124-M224 HydrophobicContact CG2-CB 3.77Å; T124-M224 HydrophobicContact CG2-CG 3.69Å; M127-M224 HydrophobicContact CB-CE 4.16Å; M127-M224 HydrophobicContact CB-CG 4.27Å; M127-M224 HydrophobicContact CB-SD 3.55Å; M127-M224 VanDerWaalsContact CB-SD 3.55Å; M127-M224 HydrophobicContact CG-SD 3.56Å; M127-M224 VanDerWaalsContact CG-SD 3.56Å; M127-M224 HydrophobicContact SD-SD 4.05Å; L222-M224 PolarHBondContact O-N 3.28Å; M224-V279 WeakPolarHBondContact CA-O 3.39Å; M224-V279 HydrophobicContact CE-CB 4.27Å; M224-V279 HydrophobicContact CE-CG1 3.87Å; M224-V279 HydrophobicContact SD-CB 3.75Å; M224-V279 HydrophobicContact SD-CG1 3.83Å; M224-L284 HydrophobicContact CE-CD2 3.91Å
225	V	98.9	Very high	98.7	Very high	0 Å²	0	11.7 Å²	11.7	0%	0	6%	0.063	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.4	133.6	175.4	-175.8	0	0	0	0	107.8	L223 P278 V279 Y280 Y281 L366 Y368	L223-V225 HydrophobicContact CG-CG2 4.22Å; L223-V225 PolarHBondContact O-N 3.33Å; V225-P278 HydrophobicContact CG2-CB 4.19Å; V225-V279 PolarHBondContact N-O 3.05Å; V225-Y280 HydrophobicContact CB-CD1 4.35Å; V225-Y280 HydrophobicContact CB-CE1 4.42Å; V225-Y280 HydrophobicContact CG1-CD1 4.18Å; V225-Y280 HydrophobicContact CG1-CE1 3.96Å; V225-Y280 CarbonylContact O-C 3.52Å; V225-Y280 WeakPolarHBondContact O-CA 3.42Å; V225-Y281 PolarHBondContact O-N 2.99Å; V225-L366 HydrophobicContact CG1-CB 4.31Å; V225-L366 HydrophobicContact CG1-CD1 3.91Å; V225-L366 HydrophobicContact CG1-CD2 4.11Å; V225-L366 HydrophobicContact CG1-CG 4.33Å; V225-Y368 HydrophobicContact CG1-CE2 3.9Å
226	R	98.9	Very high	98.7	Very high	13 Å²	13	13 Å²	13	5%	0.049	7%	0.069	C	C	.	.			trans	-142.2	153.8	174.6	-173.7	179.9	-174.2	170.2	11.1	108.3	R121 G228 A230 Y281 E282 A340 Y368	R121-R226 WeakPolarHBondContact O-CD 3.5Å; R121-R226 PolarHBondContact O-NH1 3.23Å; R226-G228 PolarHBondContact O-N 3.05Å; R226-G228 VanDerWaalsContact O-N 3.15Å; R226-A230 HydrophobicContact CG-CB 4.36Å; R226-Y281 HydrophobicContact CB-CG 4.45Å; R226-Y281 HydrophobicContact CG-CD1 3.69Å; R226-Y281 HydrophobicContact CG-CG 4.04Å; R226-Y281 VanDerWaalsContact NE-CD1 3.33Å; R226-E282 WeakPolarHBondContact CG-OE1 3.43Å; R226-A340 PolarHBondContact NH2-O 2.93Å; R226-Y368 WeakPolarHBondContact CA-OH 3.48Å
227	D	98.9	Very high	98.7	Very high	0 Å²	0	16.4 Å²	16.4	0%	0	9%	0.09	C	C	.	.			trans	-48.1	123.7	169.7	-165.2	-42.3	0	0	0	110.3	R229 A230 S231 E282 L363 Y368 Y377	D227-R229 PolarHBondContact O-N 3Å; D227-R229 VanDerWaalsContact OD1-CB 3.23Å; D227-R229 WeakPolarHBondContact OD1-CB 3.47Å; D227-R229 IonicContact OD1-CZ 3.63Å; D227-R229 PolarHBondContact OD1-N 3.42Å; D227-R229 IonicContact OD1-NE 3.66Å; D227-R229 PolarHBondContact OD1-NE 2.8Å; D227-R229 IonicContact OD1-NH2 3.86Å; D227-R229 IonicContact OD2-CZ 3.82Å; D227-R229 IonicContact OD2-NE 2.75Å; D227-R229 PolarHBondContact OD2-NE 3.28Å; D227-R229 IonicContact OD2-NH2 2.79Å; D227-R229 PolarHBondContact OD2-NH2 3.36Å; D227-A230 HydrophobicContact CB-CB 4.22Å; D227-A230 WeakPolarHBondContact O-CB 3.32Å; D227-A230 PolarHBondContact O-N 3.09Å; D227-A230 VanDerWaalsContact O-N 3.11Å; D227-S231 PolarHBondContact O-N 3.19Å; D227-S231 PolarHBondContact O-OG 3.02Å; D227-E282 PolarHBondContact N-OE1 3.28Å; D227-L363 WeakPolarHBondContact OD1-CD2 3.48Å; D227-Y368 HydrophobicContact CB-CD1 3.89Å; D227-Y368 HydrophobicContact CB-CE1 3.87Å; D227-Y368 HydrophobicContact CB-CG 4.4Å; D227-Y368 PolarHBondContact N-OH 3.42Å; D227-Y377 HydrophobicContact CB-CE1 4.28Å; D227-Y377 PolarHBondContact OD2-OH 2.71Å
228	G	98.8	Very high	98.6	Very high	0 Å²	0	16.7 Å²	16.7	0%	0	8%	0.083	C	C	.	.	H	α-helix	trans	-59.8	-32.2	-178	0	0	0	0	0	112.6	R226 S231 V232 W257	R226-G228 PolarHBondContact O-N 3.05Å; R226-G228 VanDerWaalsContact O-N 3.15Å; G228-S231 PolarHBondContact O-N 3.22Å; G228-V232 WeakPolarHBondContact O-CB 3.21Å; G228-V232 VanDerWaalsContact O-CG2 3.29Å; G228-V232 WeakPolarHBondContact O-CG2 3.34Å; G228-V232 PolarHBondContact O-N 2.82Å; G228-W257 VanDerWaalsContact CA-CD2 3.5Å
229	R	98.9	Very high	98.5	Very high	0 Å²	0	20.1 Å²	20.1	0%	0	9%	0.093	C	C	.	.	H	α-helix	trans	-64.1	-43.6	176.5	-64.4	169.6	-67.2	-163.3	-3.8	111.1	D227 H233 L254 W344 I348 M356 L363 D369 P370 A372	D227-R229 PolarHBondContact O-N 3Å; D227-R229 VanDerWaalsContact OD1-CB 3.23Å; D227-R229 WeakPolarHBondContact OD1-CB 3.47Å; D227-R229 IonicContact OD1-CZ 3.63Å; D227-R229 PolarHBondContact OD1-N 3.42Å; D227-R229 IonicContact OD1-NE 3.66Å; D227-R229 PolarHBondContact OD1-NE 2.8Å; D227-R229 IonicContact OD1-NH2 3.86Å; D227-R229 IonicContact OD2-CZ 3.82Å; D227-R229 IonicContact OD2-NE 2.75Å; D227-R229 PolarHBondContact OD2-NE 3.28Å; D227-R229 IonicContact OD2-NH2 2.79Å; D227-R229 PolarHBondContact OD2-NH2 3.36Å; R229-H233 WeakPolarHBondContact O-CB 3.06Å; R229-H233 PolarHBondContact O-N 3.37Å; R229-L254 HydrophobicContact CG-CD2 4.32Å; R229-W344 HydrophobicContact CB-CD2 3.71Å; R229-W344 HydrophobicContact CB-CE3 3.63Å; R229-W344 HydrophobicContact CB-CG 4.35Å; R229-W344 HydrophobicContact CB-CH2 4.07Å; R229-W344 HydrophobicContact CB-CZ2 4.13Å; R229-W344 HydrophobicContact CB-CZ3 3.84Å; R229-W344 VanDerWaalsContact CD-CH2 3.44Å; R229-W344 HydrophobicContact CG-CE3 4.44Å; R229-W344 HydrophobicContact CG-CH2 4.35Å; R229-W344 HydrophobicContact CG-CZ3 4.2Å; R229-I348 HydrophobicContact CB-CD1 3.62Å; R229-I348 HydrophobicContact CG-CD1 3.74Å; R229-M356 HydrophobicContact CG-CE 3.74Å; R229-M356 HydrophobicContact CG-SD 3.71Å; R229-L363 HydrophobicContact CG-CD1 4.37Å; R229-D369 PolarHBondContact NH1-O 2.94Å; R229-D369 PolarHBondContact NH2-O 3Å; R229-P370 PolarHBondContact NH1-O 3.08Å; R229-A372 PolarHBondContact NH1-O 3.09Å
230	A	98.8	Very high	98.3	Very high	3 Å²	3	20.8 Å²	20.8	3%	0.025	10%	0.097	C	C	.	.	H	α-helix	trans	-66.8	-42	176.1	0	0	0	0	0	112.4	R226 D227 S234 W344	R226-A230 HydrophobicContact CG-CB 4.36Å; D227-A230 HydrophobicContact CB-CB 4.22Å; D227-A230 WeakPolarHBondContact O-CB 3.32Å; D227-A230 PolarHBondContact O-N 3.09Å; D227-A230 VanDerWaalsContact O-N 3.11Å; A230-S234 WeakPolarHBondContact O-CB 3.47Å; A230-S234 PolarHBondContact O-N 2.93Å; A230-W344 VanDerWaalsContact CB-CD1 3.48Å; A230-W344 HydrophobicContact CB-CG 4.19Å
231	S	98.8	Very high	98.1	Very high	0 Å²	0	24 Å²	24	0%	0	12%	0.122	C	C	.	.	H	α-helix	trans	-65.6	-46.3	179.9	-59.2	0	0	0	0	111.7	S122 D227 G228 S234 M235	S122-S231 PolarHBondContact OG-OG 2.76Å; D227-S231 PolarHBondContact O-N 3.19Å; D227-S231 PolarHBondContact O-OG 3.02Å; G228-S231 PolarHBondContact O-N 3.22Å; S231-S234 PolarHBondContact O-N 3.32Å; S231-M235 PolarHBondContact O-N 3.18Å
232	V	98.8	Very high	97.9	Very high	0 Å²	0	24.8 Å²	24.8	0%	0	13%	0.126	C	C	.	.	H	α-helix	trans	-65.7	-48.8	177.8	168.4	0	0	0	0	111.6	G228 S234 M235 I236 Y250 C253 L254 W257	G228-V232 WeakPolarHBondContact O-CB 3.21Å; G228-V232 VanDerWaalsContact O-CG2 3.29Å; G228-V232 WeakPolarHBondContact O-CG2 3.34Å; G228-V232 PolarHBondContact O-N 2.82Å; V232-S234 PolarHBondContact O-N 3.01Å; V232-M235 HydrophobicContact CG2-CE 4.2Å; V232-M235 WeakPolarHBondContact O-CG 3.16Å; V232-M235 PolarHBondContact O-N 2.83Å; V232-M235 VanDerWaalsContact O-N 3.1Å; V232-I236 HydrophobicContact CG1-CD1 3.65Å; V232-I236 HydrophobicContact CG1-CG1 4.33Å; V232-I236 WeakPolarHBondContact O-CG1 3.32Å; V232-I236 PolarHBondContact O-N 2.88Å; V232-Y250 HydrophobicContact CG1-CD1 3.71Å; V232-Y250 HydrophobicContact CG1-CE1 4.21Å; V232-Y250 HydrophobicContact CG1-CG 4.44Å; V232-C253 HydrophobicContact CB-CB 4.28Å; V232-C253 HydrophobicContact CG1-CB 3.42Å; V232-C253 VanDerWaalsContact CG1-CB 3.42Å; V232-C253 HydrophobicContact CG2-CB 3.93Å; V232-L254 HydrophobicContact CB-CD2 4.21Å; V232-L254 HydrophobicContact CB-CG 4.21Å; V232-L254 HydrophobicContact CG1-CG 4.19Å; V232-L254 HydrophobicContact CG2-CB 4.48Å; V232-L254 HydrophobicContact CG2-CD2 3.84Å; V232-L254 HydrophobicContact CG2-CG 3.92Å; V232-W257 HydrophobicContact CG2-CB 3.98Å; V232-W257 HydrophobicContact CG2-CG 4.46Å
233	H	98.8	Very high	97.6	Very high	12 Å²	12	29.8 Å²	29.8	6%	0.056	17%	0.167	C	C	.	.	H	α-helix	trans	-55.8	-40.5	174.3	177	73.4	0	0	0	111.3	R229 T237 Y250 K343 W344 H347	R229-H233 WeakPolarHBondContact O-CB 3.06Å; R229-H233 PolarHBondContact O-N 3.37Å; H233-T237 WeakPolarHBondContact CE1-CG2 3.34Å; H233-T237 WeakPolarHBondContact O-CB 2.93Å; H233-T237 WeakPolarHBondContact O-CG2 3.49Å; H233-T237 PolarHBondContact O-N 2.99Å; H233-T237 PolarHBondContact O-OG1 2.03Å; H233-Y250 HydrophobicContact CB-CE1 4.09Å; H233-Y250 PolarHBondContact ND1-OH 3.09Å; H233-K343 PolarHBondContact NE2-O 3.48Å; H233-W344 HydrophobicContact CB-CB 3.59Å; H233-H347 AromaticContact CE1-CD2 3.66Å; H233-H347 AromaticContact CE1-CG 3.6Å
234	S	98.4	Very high	97.3	Very high	1 Å²	1	32.6 Å²	32.6	1%	0.007	20%	0.197	C	C	.	.	H	α-helix	trans	-66.4	-37.3	177	-179.3	0	0	0	0	114	R121 A230 S231 V232 R238	R121-S234 PolarHBondContact NE-OG 3.2Å; R121-S234 PolarHBondContact NH2-OG 2.96Å; A230-S234 WeakPolarHBondContact O-CB 3.47Å; A230-S234 PolarHBondContact O-N 2.93Å; S231-S234 PolarHBondContact O-N 3.32Å; V232-S234 PolarHBondContact O-N 3.01Å; S234-R238 WeakPolarHBondContact O-CB 3.47Å; S234-R238 PolarHBondContact O-N 3.41Å
235	M	97.9	Very high	97.2	Very high	0 Å²	0	34 Å²	34	0%	0	20%	0.203	C	C	.	.	H	α-helix	trans	-75	-36.7	179.9	64.1	-176.7	73.9	0	0	111.6	V119 R121 S231 V232 K239 V240 I242 F245 L247 C253	V119-M235 HydrophobicContact CG1-CE 4.5Å; R121-M235 HydrophobicContact CG-CB 3.92Å; S231-M235 PolarHBondContact O-N 3.18Å; V232-M235 HydrophobicContact CG2-CE 4.2Å; V232-M235 WeakPolarHBondContact O-CG 3.16Å; V232-M235 PolarHBondContact O-N 2.83Å; V232-M235 VanDerWaalsContact O-N 3.1Å; M235-K239 CarbonylContact O-C 3.45Å; M235-K239 WeakPolarHBondContact O-CA 3.33Å; M235-K239 PolarHBondContact O-N 2.66Å; M235-V240 HydrophobicContact CB-CB 4.32Å; M235-V240 PolarHBondContact O-N 3.02Å; M235-I242 HydrophobicContact CE-CD1 3.97Å; M235-I242 HydrophobicContact SD-CD1 3.98Å; M235-F245 HydrophobicContact CE-CD1 4.45Å; M235-F245 HydrophobicContact CE-CE1 4.23Å; M235-F245 HydrophobicContact SD-CD1 3.64Å; M235-F245 HydrophobicContact SD-CE1 4.02Å; M235-L247 HydrophobicContact CB-CD2 4.38Å; M235-L247 HydrophobicContact CG-CD2 4.13Å; M235-L247 HydrophobicContact SD-CD2 4.44Å; M235-C253 HydrophobicContact SD-CB 4.24Å
236	I	98.4	Very high	97.2	Very high	27 Å²	27	37.5 Å²	37.5	14%	0.138	22%	0.221	C	C	.	.	H	α-helix	trans	-66.9	-58.8	178	-68.6	176.3	0	0	0	110.3	V232 R238 K239 Y250 C253	V232-I236 HydrophobicContact CG1-CD1 3.65Å; V232-I236 HydrophobicContact CG1-CG1 4.33Å; V232-I236 WeakPolarHBondContact O-CG1 3.32Å; V232-I236 PolarHBondContact O-N 2.88Å; I236-R238 VanDerWaalsContact C-N 3.29Å; I236-R238 PolarHBondContact O-N 2.87Å; I236-K239 PolarHBondContact O-N 2.96Å; I236-Y250 HydrophobicContact CD1-CD1 3.76Å; I236-Y250 HydrophobicContact CD1-CD2 3.61Å; I236-Y250 HydrophobicContact CD1-CE1 3.9Å; I236-Y250 HydrophobicContact CD1-CE2 3.76Å; I236-Y250 HydrophobicContact CD1-CG 3.62Å; I236-Y250 HydrophobicContact CG2-CE2 4.09Å; I236-C253 HydrophobicContact CD1-CB 4.3Å
237	T	97.5	Very high	97.1	Very high	73 Å²	73	38.7 Å²	38.7	45%	0.448	23%	0.229	S	C	.	.	H	α-helix	trans	-63	-35	-174.9	53.2	0	0	0	0	113.2	H233	H233-T237 WeakPolarHBondContact CE1-CG2 3.34Å; H233-T237 WeakPolarHBondContact O-CB 2.93Å; H233-T237 WeakPolarHBondContact O-CG2 3.49Å; H233-T237 PolarHBondContact O-N 2.99Å; H233-T237 PolarHBondContact O-OG1 2.03Å
238	R	95.8	Very high	97.1	Very high	70 Å²	70	43.8 Å²	43.8	26%	0.264	26%	0.264	S	S	.	.	T	Hydrogen-bonded Turn	trans	-90.6	3.1	176.8	-65.2	-175.9	159.9	-115	11	113.1	S234 I236 V240 R327 D330	S234-R238 WeakPolarHBondContact O-CB 3.47Å; S234-R238 PolarHBondContact O-N 3.41Å; I236-R238 VanDerWaalsContact C-N 3.29Å; I236-R238 PolarHBondContact O-N 2.87Å; R238-V240 VanDerWaalsContact C-N 3.27Å; R238-V240 HydrophobicContact CB-CG2 3.93Å; R238-V240 PolarHBondContact O-N 3.18Å; R238-R327 VanDerWaalsContact O-CZ 3.31Å; R238-R327 PolarHBondContact O-NH1 2.85Å; R238-R327 PolarHBondContact O-NH2 3.26Å; R238-D330 IonicContact CZ-OD1 3.4Å; R238-D330 IonicContact CZ-OD2 2.74Å; R238-D330 VanDerWaalsContact NH1-CG 3.33Å; R238-D330 IonicContact NH1-OD1 3.82Å; R238-D330 PolarHBondContact NH1-OD1 3.08Å; R238-D330 IonicContact NH1-OD2 3.66Å; R238-D330 PolarHBondContact NH1-OD2 3.25Å; R238-D330 IonicContact NH2-OD1 3.27Å; R238-D330 PolarHBondContact NH2-OD1 2.87Å; R238-D330 IonicContact NH2-OD2 2.91Å
239	K	96.7	Very high	97.1	Very high	165 Å²	165	45.6 Å²	45.6	72%	0.717	28%	0.276	S	S	*	.	T	Hydrogen-bonded Turn	trans	49.7	47.9	-178.4	-56.3	-179.6	178.9	179.6	0	112	M235 I236 T241 R327	M235-K239 CarbonylContact O-C 3.45Å; M235-K239 WeakPolarHBondContact O-CA 3.33Å; M235-K239 PolarHBondContact O-N 2.66Å; I236-K239 PolarHBondContact O-N 2.96Å; K239-T241 PolarHBondContact O-N 3.26Å; K239-R327 PolarHBondContact O-NH1 3.41Å
240	V	95.5	Very high	97.1	Very high	15 Å²	15	47 Å²	47	9%	0.091	28%	0.282	C	S	.	.			trans	-86.9	103	177.4	-178.8	0	0	0	0	107.7	M235 R238 I242 R327	M235-V240 HydrophobicContact CB-CB 4.32Å; M235-V240 PolarHBondContact O-N 3.02Å; R238-V240 VanDerWaalsContact C-N 3.27Å; R238-V240 HydrophobicContact CB-CG2 3.93Å; R238-V240 PolarHBondContact O-N 3.18Å; V240-I242 PolarHBondContact O-N 2.63Å; V240-R327 HydrophobicContact CG1-CG 4.31Å; V240-R327 HydrophobicContact CG2-CB 3.92Å; V240-R327 HydrophobicContact CG2-CG 4.11Å
241	T	94.8	Very high	97.1	Very high	125 Å²	125	50.6 Å²	50.6	77%	0.767	30%	0.295	S	S	*	.			trans	-71.2	128.3	-176.3	51.8	0	0	0	0	111.3	K239 L247	K239-T241 PolarHBondContact O-N 3.26Å; T241-L247 HydrophobicContact CG2-CD1 4.17Å
242	I	95.1	Very high	97.1	Very high	17 Å²	17	52.4 Å²	52.4	9%	0.087	31%	0.305	C	S	.	.			trans	-126.3	127.2	174.5	-59.4	171.2	0	0	0	106.2	P120 F204 M235 V240 G244 F245	P120-I242 HydrophobicContact CB-CD1 3.83Å; P120-I242 HydrophobicContact CB-CG1 4.5Å; P120-I242 HydrophobicContact CG-CD1 3.84Å; P120-I242 HydrophobicContact CG-CG1 4.33Å; F204-I242 HydrophobicContact CE2-CG2 3.71Å; F204-I242 HydrophobicContact CZ-CG2 3.7Å; M235-I242 HydrophobicContact CE-CD1 3.97Å; M235-I242 HydrophobicContact SD-CD1 3.98Å; V240-I242 PolarHBondContact O-N 2.63Å; I242-G244 PolarHBondContact O-N 3.03Å; I242-F245 HydrophobicContact CB-CB 4.22Å; I242-F245 HydrophobicContact CB-CD2 3.85Å; I242-F245 HydrophobicContact CB-CE2 4.45Å; I242-F245 HydrophobicContact CB-CG 4.09Å; I242-F245 HydrophobicContact CG2-CD2 3.46Å; I242-F245 VanDerWaalsContact CG2-CD2 3.46Å; I242-F245 HydrophobicContact CG2-CE2 3.68Å; I242-F245 HydrophobicContact CG2-CG 4.19Å; I242-F245 PolarHBondContact O-N 2.66Å
243	A	91.9	Very high	97.1	Very high	104 Å²	104	52.4 Å²	52.4	86%	0.86	31%	0.305	S	S	*	.	T	Hydrogen-bonded Turn	trans	-54.9	126	-177.5	0	0	0	0	0	110.6
244	G	93	Very high	97.1	Very high	60 Å²	60	51.9 Å²	51.9	62%	0.619	30%	0.302	S	S	*	.	T	Hydrogen-bonded Turn	trans	87.1	-10.3	-178.6	0	0	0	0	0	115.4	I242 K256	I242-G244 PolarHBondContact O-N 3.03Å; G244-K256 WeakPolarHBondContact O-CD 3.26Å; G244-K256 WeakPolarHBondContact O-CE 3.38Å; G244-K256 PolarHBondContact O-NZ 3.34Å
245	F	97.4	Very high	97.1	Very high	30 Å²	30	55 Å²	55	13%	0.132	32%	0.321	C	S	.	.			trans	-89.6	130	176.5	-76.6	-119.1	0	0	0	111.1	M235 I242 L247 C253 K256 W257	M235-F245 HydrophobicContact CE-CD1 4.45Å; M235-F245 HydrophobicContact CE-CE1 4.23Å; M235-F245 HydrophobicContact SD-CD1 3.64Å; M235-F245 HydrophobicContact SD-CE1 4.02Å; I242-F245 HydrophobicContact CB-CB 4.22Å; I242-F245 HydrophobicContact CB-CD2 3.85Å; I242-F245 HydrophobicContact CB-CE2 4.45Å; I242-F245 HydrophobicContact CB-CG 4.09Å; I242-F245 HydrophobicContact CG2-CD2 3.46Å; I242-F245 VanDerWaalsContact CG2-CD2 3.46Å; I242-F245 HydrophobicContact CG2-CE2 3.68Å; I242-F245 HydrophobicContact CG2-CG 4.19Å; I242-F245 PolarHBondContact O-N 2.66Å; F245-L247 PolarHBondContact O-N 3.27Å; F245-C253 HydrophobicContact CD1-CB 4.2Å; F245-C253 WeakPolarHBondContact CE1-O 3.37Å; F245-K256 HydrophobicContact CD1-CB 3.87Å; F245-K256 HydrophobicContact CD2-CB 4.09Å; F245-K256 HydrophobicContact CD2-CD 4.21Å; F245-K256 HydrophobicContact CE1-CB 3.47Å; F245-K256 VanDerWaalsContact CE1-CB 3.47Å; F245-K256 HydrophobicContact CE2-CB 3.71Å; F245-K256 HydrophobicContact CG-CB 4.17Å; F245-K256 HydrophobicContact CG-CD 4.19Å; F245-K256 VanDerWaalsContact CZ-C 3.49Å; F245-K256 HydrophobicContact CZ-CB 3.39Å; F245-W257 HydrophobicContact CE1-CB 4.49Å
246	D	97.4	Very high	97.1	Very high	72 Å²	72	58.2 Å²	58.2	39%	0.385	34%	0.335	S	S	.	.			trans	-88.8	103.3	171.4	177.6	9.8	0	0	0	110.5	S248 S249 D252 C253	D246-S248 PolarHBondContact O-N 3.5Å; D246-S248 VanDerWaalsContact O-N 3.16Å; D246-S248 WeakPolarHBondContact OD1-CB 3.43Å; D246-S248 PolarHBondContact OD1-N 3.3Å; D246-S248 PolarHBondContact OD1-OG 3.48Å; D246-S248 PolarHBondContact OD2-OG 3.08Å; D246-S248 VanDerWaalsContact OD2-OG 3.07Å; D246-S249 PolarHBondContact O-N 3.4Å; D246-S249 VanDerWaalsContact O-N 3.12Å; D246-D252 HydrophobicContact CB-CB 4.24Å; D246-D252 WeakPolarHBondContact CB-OD2 3.3Å; D246-D252 PolarHBondContact N-OD2 3.03Å; D246-C253 PolarHBondContact O-SG 2.97Å
247	L	97.8	Very high	97.1	Very high	39 Å²	39	57 Å²	57	20%	0.204	33%	0.329	C	S	.	.	T	Hydrogen-bonded Turn	trans	-69.7	-7.1	-177.9	-58.2	-174.6	0	0	0	113.9	M235 T241 F245	M235-L247 HydrophobicContact CB-CD2 4.38Å; M235-L247 HydrophobicContact CG-CD2 4.13Å; M235-L247 HydrophobicContact SD-CD2 4.44Å; T241-L247 HydrophobicContact CG2-CD1 4.17Å; F245-L247 PolarHBondContact O-N 3.27Å
248	S	98	Very high	97.2	Very high	106 Å²	106	54.4 Å²	54.4	74%	0.741	31%	0.312	S	S	*	.	T	Hydrogen-bonded Turn	trans	-83.6	-12.5	172.8	74	0	0	0	0	113.1	D246	D246-S248 PolarHBondContact O-N 3.5Å; D246-S248 VanDerWaalsContact O-N 3.16Å; D246-S248 WeakPolarHBondContact OD1-CB 3.43Å; D246-S248 PolarHBondContact OD1-N 3.3Å; D246-S248 PolarHBondContact OD1-OG 3.48Å; D246-S248 PolarHBondContact OD2-OG 3.08Å; D246-S248 VanDerWaalsContact OD2-OG 3.07Å
249	S	98.6	Very high	97.3	Very high	38 Å²	38	56.9 Å²	56.9	27%	0.266	33%	0.325	S	S	.	.			trans	-126.1	112.3	-174.7	176.5	0	0	0	0	112.3	D246 R251 D252 C253	D246-S249 PolarHBondContact O-N 3.4Å; D246-S249 VanDerWaalsContact O-N 3.12Å; S249-R251 VanDerWaalsContact C-N 3.26Å; S249-R251 PolarHBondContact O-N 3.35Å; S249-D252 PolarHBondContact O-N 2.81Å; S249-D252 PolarHBondContact OG-N 3.11Å; S249-D252 VanDerWaalsContact OG-N 3.14Å; S249-C253 WeakPolarHBondContact O-CB 3.18Å; S249-C253 PolarHBondContact O-N 3.5Å
250	Y	98.8	Very high	97.4	Very high	31 Å²	31	49.5 Å²	49.5	12%	0.122	30%	0.295	C	S	.	.	H	α-helix	trans	-58.5	-39.8	171.2	-86.8	-94.5	0	0	0	111.9	V232 H233 I236 C253 L254 H347 I348 P349	V232-Y250 HydrophobicContact CG1-CD1 3.71Å; V232-Y250 HydrophobicContact CG1-CE1 4.21Å; V232-Y250 HydrophobicContact CG1-CG 4.44Å; H233-Y250 HydrophobicContact CB-CE1 4.09Å; H233-Y250 PolarHBondContact ND1-OH 3.09Å; I236-Y250 HydrophobicContact CD1-CD1 3.76Å; I236-Y250 HydrophobicContact CD1-CD2 3.61Å; I236-Y250 HydrophobicContact CD1-CE1 3.9Å; I236-Y250 HydrophobicContact CD1-CE2 3.76Å; I236-Y250 HydrophobicContact CD1-CG 3.62Å; I236-Y250 HydrophobicContact CG2-CE2 4.09Å; Y250-C253 PolarHBondContact O-N 3.46Å; Y250-L254 VanDerWaalsContact O-CB 3.31Å; Y250-L254 WeakPolarHBondContact O-CB 3.45Å; Y250-L254 WeakPolarHBondContact O-CG 3.5Å; Y250-L254 PolarHBondContact O-N 2.95Å; Y250-H347 PolarHBondContact OH-O 3.01Å; Y250-I348 HydrophobicContact CD1-CG1 4.04Å; Y250-I348 HydrophobicContact CD1-CG2 4.4Å; Y250-I348 HydrophobicContact CE1-CG1 3.98Å; Y250-P349 HydrophobicContact CD2-CG 4.16Å
251	R	98.8	Very high	97.6	Very high	78 Å²	78	48.9 Å²	48.9	29%	0.294	29%	0.291	S	S	.	.	H	α-helix	trans	-60.3	-48.4	178.8	-176.4	173.4	-65.5	-95.6	-0.3	111.3	S249 L254 T255 D351 V352 D355 I359	S249-R251 VanDerWaalsContact C-N 3.26Å; S249-R251 PolarHBondContact O-N 3.35Å; R251-L254 PolarHBondContact O-N 2.67Å; R251-T255 WeakPolarHBondContact O-CB 3.47Å; R251-T255 PolarHBondContact O-N 3.4Å; R251-T255 PolarHBondContact O-OG1 2.99Å; R251-D351 IonicContact CZ-OD2 3.76Å; R251-D351 IonicContact NE-OD2 3.47Å; R251-D351 PolarHBondContact NH2-O 3.31Å; R251-D351 IonicContact NH2-OD2 2.77Å; R251-D351 PolarHBondContact NH2-OD2 2.99Å; R251-V352 HydrophobicContact CB-CG2 3.97Å; R251-D355 IonicContact CZ-OD2 3.02Å; R251-D355 VanDerWaalsContact CZ-OD2 3.27Å; R251-D355 IonicContact NH1-OD2 2.7Å; R251-D355 PolarHBondContact NH1-OD2 2.96Å; R251-D355 IonicContact NH2-OD2 3.43Å; R251-D355 PolarHBondContact NH2-OD2 3.14Å; R251-I359 HydrophobicContact CG-CD1 3.95Å; R251-I359 HydrophobicContact CG-CG1 4.3Å
252	D	98.8	Very high	97.8	Very high	38 Å²	38	46.4 Å²	46.4	20%	0.203	27%	0.271	C	S	.	.	H	α-helix	trans	-63.1	-49.2	177.9	-178.1	73	0	0	0	111.5	D246 S249 L254 T255 K256	D246-D252 HydrophobicContact CB-CB 4.24Å; D246-D252 WeakPolarHBondContact CB-OD2 3.3Å; D246-D252 PolarHBondContact N-OD2 3.03Å; S249-D252 PolarHBondContact O-N 2.81Å; S249-D252 PolarHBondContact OG-N 3.11Å; S249-D252 VanDerWaalsContact OG-N 3.14Å; D252-L254 VanDerWaalsContact C-N 3.34Å; D252-L254 PolarHBondContact O-N 3.07Å; D252-T255 WeakPolarHBondContact O-CB 3.46Å; D252-T255 PolarHBondContact O-N 3.25Å; D252-K256 PolarHBondContact O-N 3.31Å; D252-K256 WeakPolarHBondContact OD1-CE 3.41Å; D252-K256 IonicContact OD1-NZ 3.02Å; D252-K256 PolarHBondContact OD1-NZ 2.86Å; D252-K256 WeakPolarHBondContact OD2-CD 3.41Å; D252-K256 WeakPolarHBondContact OD2-CE 3.34Å; D252-K256 IonicContact OD2-NZ 2.75Å; D252-K256 PolarHBondContact OD2-NZ 2.89Å
253	C	98.8	Very high	98	Very high	0 Å²	0	47.8 Å²	47.8	0%	0	28%	0.28	C	S	.	.	H	α-helix	trans	-60.9	-40.6	179.1	-76.8	0	0	0	0	112.5	V232 M235 I236 F245 D246 S249 Y250 W257	V232-C253 HydrophobicContact CB-CB 4.28Å; V232-C253 HydrophobicContact CG1-CB 3.42Å; V232-C253 VanDerWaalsContact CG1-CB 3.42Å; V232-C253 HydrophobicContact CG2-CB 3.93Å; M235-C253 HydrophobicContact SD-CB 4.24Å; I236-C253 HydrophobicContact CD1-CB 4.3Å; F245-C253 HydrophobicContact CD1-CB 4.2Å; F245-C253 WeakPolarHBondContact CE1-O 3.37Å; D246-C253 PolarHBondContact O-SG 2.97Å; S249-C253 WeakPolarHBondContact O-CB 3.18Å; S249-C253 PolarHBondContact O-N 3.5Å; Y250-C253 PolarHBondContact O-N 3.46Å; C253-W257 VanDerWaalsContact O-CB 3.23Å; C253-W257 WeakPolarHBondContact O-CB 3.45Å; C253-W257 PolarHBondContact O-N 2.9Å
254	L	98.9	Very high	98.3	Very high	0 Å²	0	42.9 Å²	42.9	0%	0	24%	0.239	C	C	.	.	H	α-helix	trans	-67.3	-40.2	175.3	-80.5	164.6	0	0	0	112.1	R229 V232 Y250 R251 D252 K256 W257 N258 V352 M356 I359	R229-L254 HydrophobicContact CG-CD2 4.32Å; V232-L254 HydrophobicContact CB-CD2 4.21Å; V232-L254 HydrophobicContact CB-CG 4.21Å; V232-L254 HydrophobicContact CG1-CG 4.19Å; V232-L254 HydrophobicContact CG2-CB 4.48Å; V232-L254 HydrophobicContact CG2-CD2 3.84Å; V232-L254 HydrophobicContact CG2-CG 3.92Å; Y250-L254 VanDerWaalsContact O-CB 3.31Å; Y250-L254 WeakPolarHBondContact O-CB 3.45Å; Y250-L254 WeakPolarHBondContact O-CG 3.5Å; Y250-L254 PolarHBondContact O-N 2.95Å; R251-L254 PolarHBondContact O-N 2.67Å; D252-L254 VanDerWaalsContact C-N 3.34Å; D252-L254 PolarHBondContact O-N 3.07Å; L254-K256 VanDerWaalsContact C-N 3.34Å; L254-K256 PolarHBondContact O-N 2.7Å; L254-W257 PolarHBondContact O-N 2.61Å; L254-N258 VanDerWaalsContact O-CB 3.29Å; L254-N258 WeakPolarHBondContact O-CB 3.37Å; L254-N258 PolarHBondContact O-N 3.2Å; L254-V352 HydrophobicContact CD1-CG1 3.5Å; L254-V352 VanDerWaalsContact CD1-CG1 3.5Å; L254-M356 HydrophobicContact CD1-CE 3.91Å; L254-M356 HydrophobicContact CD1-SD 3.82Å; L254-M356 HydrophobicContact CD2-SD 4.32Å; L254-I359 HydrophobicContact CB-CG2 3.53Å
255	T	98.8	Very high	98.6	Very high	66 Å²	66	42.6 Å²	42.6	41%	0.405	22%	0.22	S	C	.	.	H	α-helix	trans	-61.8	-44.1	177	-57	0	0	0	0	110.7	R251 D252 N258 K259	R251-T255 WeakPolarHBondContact O-CB 3.47Å; R251-T255 PolarHBondContact O-N 3.4Å; R251-T255 PolarHBondContact O-OG1 2.99Å; D252-T255 WeakPolarHBondContact O-CB 3.46Å; D252-T255 PolarHBondContact O-N 3.25Å; T255-N258 WeakPolarHBondContact O-CB 2.98Å; T255-N258 PolarHBondContact O-N 3.19Å; T255-K259 PolarHBondContact O-N 3.5Å
256	K	98.7	Very high	98.6	Very high	69 Å²	69	43.8 Å²	43.8	30%	0.3	24%	0.235	S	C	.	.	H	α-helix	trans	-75.3	-34.4	178.9	-70.3	171.5	179.3	151.2	0	112.8	G244 F245 D252 L254 N258 K259 A260	G244-K256 WeakPolarHBondContact O-CD 3.26Å; G244-K256 WeakPolarHBondContact O-CE 3.38Å; G244-K256 PolarHBondContact O-NZ 3.34Å; F245-K256 HydrophobicContact CD1-CB 3.87Å; F245-K256 HydrophobicContact CD2-CB 4.09Å; F245-K256 HydrophobicContact CD2-CD 4.21Å; F245-K256 HydrophobicContact CE1-CB 3.47Å; F245-K256 VanDerWaalsContact CE1-CB 3.47Å; F245-K256 HydrophobicContact CE2-CB 3.71Å; F245-K256 HydrophobicContact CG-CB 4.17Å; F245-K256 HydrophobicContact CG-CD 4.19Å; F245-K256 VanDerWaalsContact CZ-C 3.49Å; F245-K256 HydrophobicContact CZ-CB 3.39Å; D252-K256 PolarHBondContact O-N 3.31Å; D252-K256 WeakPolarHBondContact OD1-CE 3.41Å; D252-K256 IonicContact OD1-NZ 3.02Å; D252-K256 PolarHBondContact OD1-NZ 2.86Å; D252-K256 WeakPolarHBondContact OD2-CD 3.41Å; D252-K256 WeakPolarHBondContact OD2-CE 3.34Å; D252-K256 IonicContact OD2-NZ 2.75Å; D252-K256 PolarHBondContact OD2-NZ 2.89Å; L254-K256 VanDerWaalsContact C-N 3.34Å; L254-K256 PolarHBondContact O-N 2.7Å; K256-N258 VanDerWaalsContact C-N 3.33Å; K256-K259 PolarHBondContact O-N 3.33Å; K256-A260 VanDerWaalsContact O-CB 3.3Å; K256-A260 WeakPolarHBondContact O-CB 3.39Å; K256-A260 PolarHBondContact O-N 3.5Å
257	W	98.9	Very high	98.7	Very high	1 Å²	1	42.1 Å²	42.1	0%	0.004	23%	0.225	C	C	.	.	H	α-helix	trans	-56.9	-50.2	167.6	168.5	92	0	0	0	110	G228 V232 F245 C253 L254 K259 A260 I261 A360 M362 L363 L366	G228-W257 VanDerWaalsContact CA-CD2 3.5Å; V232-W257 HydrophobicContact CG2-CB 3.98Å; V232-W257 HydrophobicContact CG2-CG 4.46Å; F245-W257 HydrophobicContact CE1-CB 4.49Å; C253-W257 VanDerWaalsContact O-CB 3.23Å; C253-W257 WeakPolarHBondContact O-CB 3.45Å; C253-W257 PolarHBondContact O-N 2.9Å; L254-W257 PolarHBondContact O-N 2.61Å; W257-K259 VanDerWaalsContact C-N 3.33Å; W257-K259 PolarHBondContact O-N 2.85Å; W257-A260 PolarHBondContact O-N 3.44Å; W257-A260 VanDerWaalsContact O-N 3.16Å; W257-I261 HydrophobicContact CD2-CG2 4.25Å; W257-I261 HydrophobicContact CE3-CG2 4.32Å; W257-I261 HydrophobicContact CH2-CG2 3.92Å; W257-I261 HydrophobicContact CZ2-CB 4.47Å; W257-I261 HydrophobicContact CZ2-CG2 3.87Å; W257-I261 HydrophobicContact CZ3-CG2 4.14Å; W257-I261 WeakPolarHBondContact O-CG2 3.1Å; W257-I261 PolarHBondContact O-N 3.46Å; W257-A360 HydrophobicContact CE3-CB 4.27Å; W257-A360 HydrophobicContact CZ3-CB 3.99Å; W257-M362 HydrophobicContact CH2-CB 4.14Å; W257-M362 HydrophobicContact CZ3-CB 4.1Å; W257-L363 HydrophobicContact CH2-CD2 3.72Å; W257-L363 HydrophobicContact CH2-CG 4.03Å; W257-L363 HydrophobicContact CZ2-CD2 4.44Å; W257-L363 HydrophobicContact CZ3-CD2 4.12Å; W257-L363 HydrophobicContact CZ3-CG 4.02Å; W257-L366 HydrophobicContact CH2-CD1 4.33Å; W257-L366 HydrophobicContact CZ2-CD1 4.46Å
258	N	98.9	Very high	98.8	Very high	18 Å²	18	40.3 Å²	40.3	10%	0.096	22%	0.216	C	C	.	.	H	α-helix	trans	-57.6	-47.9	-179.3	-179.1	81.8	0	0	0	110.5	L254 T255 K256 A260 I261 E262 A360 P361 M362	L254-N258 VanDerWaalsContact O-CB 3.29Å; L254-N258 WeakPolarHBondContact O-CB 3.37Å; L254-N258 PolarHBondContact O-N 3.2Å; T255-N258 WeakPolarHBondContact O-CB 2.98Å; T255-N258 PolarHBondContact O-N 3.19Å; K256-N258 VanDerWaalsContact C-N 3.33Å; N258-A260 VanDerWaalsContact C-N 3.35Å; N258-A260 PolarHBondContact O-N 3.17Å; N258-I261 WeakPolarHBondContact O-CG2 3.02Å; N258-E262 VanDerWaalsContact O-CB 3.22Å; N258-E262 WeakPolarHBondContact O-CB 3.41Å; N258-E262 PolarHBondContact O-N 3.4Å; N258-A360 HydrophobicContact CB-CB 4.41Å; N258-A360 WeakPolarHBondContact OD1-CA 3.34Å; N258-P361 VanDerWaalsContact OD1-CD 3.28Å; N258-P361 WeakPolarHBondContact OD1-CD 3.46Å; N258-M362 WeakPolarHBondContact OD1-CB 3.38Å; N258-M362 VanDerWaalsContact OD1-CG 3.23Å; N258-M362 WeakPolarHBondContact OD1-CG 3.28Å; N258-M362 PolarHBondContact OD1-N 3.33Å
259	K	98.8	Very high	98.8	Very high	122 Å²	122	39.3 Å²	39.3	53%	0.53	20%	0.2	S	C	.	.	H	α-helix	trans	-65.3	-38.2	179.1	-170.2	58.9	-177.4	172.5	0	113	T255 K256 W257 E262 V263	T255-K259 PolarHBondContact O-N 3.5Å; K256-K259 PolarHBondContact O-N 3.33Å; W257-K259 VanDerWaalsContact C-N 3.33Å; W257-K259 PolarHBondContact O-N 2.85Å; K259-E262 VanDerWaalsContact CD-OE2 3.24Å; K259-E262 WeakPolarHBondContact CD-OE2 3.28Å; K259-E262 WeakPolarHBondContact CE-OE2 3.41Å; K259-E262 IonicContact NZ-OE2 3.39Å; K259-E262 PolarHBondContact NZ-OE2 2.86Å; K259-V263 WeakPolarHBondContact O-CG2 3.13Å; K259-V263 PolarHBondContact O-N 3.36Å
260	A	98.8	Very high	98.8	Very high	10 Å²	10	43.9 Å²	43.9	8%	0.083	22%	0.217	C	C	.	.	H	α-helix	trans	-68.1	-47	179.6	0	0	0	0	0	111.7	V119 F204 K256 W257 N258 V263 M264	V119-A260 HydrophobicContact CG2-CB 3.84Å; F204-A260 HydrophobicContact CE1-CB 4.35Å; K256-A260 VanDerWaalsContact O-CB 3.3Å; K256-A260 WeakPolarHBondContact O-CB 3.39Å; K256-A260 PolarHBondContact O-N 3.5Å; W257-A260 PolarHBondContact O-N 3.44Å; W257-A260 VanDerWaalsContact O-N 3.16Å; N258-A260 VanDerWaalsContact C-N 3.35Å; N258-A260 PolarHBondContact O-N 3.17Å; A260-V263 PolarHBondContact O-N 3.25Å; A260-M264 WeakPolarHBondContact O-CG 3.48Å; A260-M264 PolarHBondContact O-N 3.03Å; A260-M264 VanDerWaalsContact O-N 3.13Å
261	I	98.8	Very high	98.8	Very high	2 Å²	2	43.5 Å²	43.5	1%	0.01	22%	0.218	C	C	.	.	H	α-helix	trans	-70.7	-34.6	-179.6	-163.7	62.5	0	0	0	111.9	V119 L223 W257 N258 V263 M264 Y265 M362 L366	V119-I261 HydrophobicContact CG2-CB 3.97Å; V119-I261 HydrophobicContact CG2-CD1 4.36Å; L223-I261 HydrophobicContact CD1-CD1 4.25Å; W257-I261 HydrophobicContact CD2-CG2 4.25Å; W257-I261 HydrophobicContact CE3-CG2 4.32Å; W257-I261 HydrophobicContact CH2-CG2 3.92Å; W257-I261 HydrophobicContact CZ2-CB 4.47Å; W257-I261 HydrophobicContact CZ2-CG2 3.87Å; W257-I261 HydrophobicContact CZ3-CG2 4.14Å; W257-I261 WeakPolarHBondContact O-CG2 3.1Å; W257-I261 PolarHBondContact O-N 3.46Å; N258-I261 WeakPolarHBondContact O-CG2 3.02Å; I261-V263 VanDerWaalsContact C-N 3.35Å; I261-V263 PolarHBondContact O-N 3.42Å; I261-M264 PolarHBondContact O-N 3.34Å; I261-Y265 WeakPolarHBondContact O-CB 3.4Å; I261-Y265 PolarHBondContact O-N 3.26Å; I261-M362 HydrophobicContact CG2-CB 3.78Å; I261-M362 HydrophobicContact CG2-CE 4.45Å; I261-M362 HydrophobicContact CG2-CG 3.9Å; I261-L366 HydrophobicContact CG1-CD1 3.86Å; I261-L366 HydrophobicContact CG2-CD1 4.31Å
262	E	98.9	Very high	98.8	Very high	73 Å²	73	41 Å²	41	34%	0.341	22%	0.216	S	C	.	.	H	α-helix	trans	-54.5	-50.5	172.8	-179.9	-170.1	-141.1	0	0	110.9	N258 K259 Y265 A266 M362	N258-E262 VanDerWaalsContact O-CB 3.22Å; N258-E262 WeakPolarHBondContact O-CB 3.41Å; N258-E262 PolarHBondContact O-N 3.4Å; K259-E262 VanDerWaalsContact CD-OE2 3.24Å; K259-E262 WeakPolarHBondContact CD-OE2 3.28Å; K259-E262 WeakPolarHBondContact CE-OE2 3.41Å; K259-E262 IonicContact NZ-OE2 3.39Å; K259-E262 PolarHBondContact NZ-OE2 2.86Å; E262-Y265 PolarHBondContact O-N 3.03Å; E262-A266 VanDerWaalsContact O-CB 3.3Å; E262-A266 WeakPolarHBondContact O-CB 3.36Å; E262-A266 PolarHBondContact O-N 2.81Å; E262-M362 HydrophobicContact CB-CG 3.9Å; E262-M362 HydrophobicContact CB-SD 3.93Å; E262-M362 HydrophobicContact CG-SD 4.16Å
263	V	98.8	Very high	98.7	Very high	47 Å²	47	47.9 Å²	47.9	29%	0.285	25%	0.245	S	C	.	.	H	α-helix	trans	-63.9	-46.7	179.4	172.1	0	0	0	0	111.6	K259 A260 I261 A266 Q267	K259-V263 WeakPolarHBondContact O-CG2 3.13Å; K259-V263 PolarHBondContact O-N 3.36Å; A260-V263 PolarHBondContact O-N 3.25Å; I261-V263 VanDerWaalsContact C-N 3.35Å; I261-V263 PolarHBondContact O-N 3.42Å; V263-A266 PolarHBondContact O-N 2.76Å; V263-Q267 HydrophobicContact CG1-CG 4.49Å; V263-Q267 WeakPolarHBondContact O-CB 3.45Å; V263-Q267 WeakPolarHBondContact O-CG 3.46Å; V263-Q267 PolarHBondContact O-N 3.1Å
264	M	98.9	Very high	98.7	Very high	0 Å²	0	54.3 Å²	54.3	0%	0	28%	0.279	C	S	.	.	H	α-helix	trans	-64.9	-40.2	-179.6	-68.4	172.2	175	0	0	112.1	G118 V119 P203 F204 L206 K207 L223 A260 I261 Q267 C268	G118-M264 VanDerWaalsContact C-SD 3.52Å; G118-M264 VanDerWaalsContact CA-SD 3.53Å; V119-M264 HydrophobicContact CG2-SD 4.35Å; P203-M264 WeakPolarHBondContact O-CE 3.36Å; F204-M264 HydrophobicContact CB-CE 4.49Å; F204-M264 HydrophobicContact CD1-CE 3.36Å; F204-M264 HydrophobicContact CE1-CE 3.93Å; F204-M264 HydrophobicContact CG-CE 4.29Å; L206-M264 HydrophobicContact CB-CG 4.23Å; L206-M264 HydrophobicContact CB-SD 4.48Å; K207-M264 HydrophobicContact CD-CE 4.39Å; K207-M264 HydrophobicContact CG-CE 3.67Å; K207-M264 HydrophobicContact CG-CG 3.96Å; L223-M264 HydrophobicContact CD1-CB 3.83Å; L223-M264 HydrophobicContact CD1-SD 4.27Å; L223-M264 HydrophobicContact CD2-CB 4.34Å; A260-M264 WeakPolarHBondContact O-CG 3.48Å; A260-M264 PolarHBondContact O-N 3.03Å; A260-M264 VanDerWaalsContact O-N 3.13Å; I261-M264 PolarHBondContact O-N 3.34Å; M264-Q267 PolarHBondContact O-N 2.77Å; M264-C268 WeakPolarHBondContact O-CB 2.98Å; M264-C268 PolarHBondContact O-N 3.41Å
265	Y	98.9	Very high	98.7	Very high	54 Å²	54	57 Å²	57	21%	0.212	29%	0.291	C	S	.	.	H	α-helix	trans	-68.9	-44	179.5	-168.8	-100.8	0	0	0	110.9	L223 I261 E262 Q267 C268 M269 P278 M362 L366	L223-Y265 HydrophobicContact CD2-CD2 4.03Å; I261-Y265 WeakPolarHBondContact O-CB 3.4Å; I261-Y265 PolarHBondContact O-N 3.26Å; E262-Y265 PolarHBondContact O-N 3.03Å; Y265-Q267 PolarHBondContact O-N 3.24Å; Y265-C268 WeakPolarHBondContact O-CB 3.37Å; Y265-C268 PolarHBondContact O-N 2.67Å; Y265-C268 VanDerWaalsContact O-N 3.16Å; Y265-M269 HydrophobicContact CD1-CG 4.11Å; Y265-M269 HydrophobicContact CE1-CG 3.85Å; Y265-M269 HydrophobicContact CE1-SD 4.21Å; Y265-M269 HydrophobicContact CE2-CE 4.06Å; Y265-M269 WeakPolarHBondContact O-CG 3.38Å; Y265-M269 PolarHBondContact O-N 2.66Å; Y265-P278 HydrophobicContact CE2-CB 4.4Å; Y265-P278 HydrophobicContact CE2-CG 4.03Å; Y265-M362 HydrophobicContact CD1-CE 4.15Å; Y265-M362 HydrophobicContact CG-CE 4.19Å; Y265-L366 HydrophobicContact CD1-CD2 4.47Å; Y265-L366 HydrophobicContact CD2-CD2 3.54Å; Y265-L366 HydrophobicContact CE1-CD2 4.47Å; Y265-L366 HydrophobicContact CE2-CD2 3.54Å; Y265-L366 HydrophobicContact CG-CD2 4.02Å
266	A	98.8	Very high	98.7	Very high	55 Å²	55	54 Å²	54	46%	0.455	27%	0.272	S	S	.	.	H	α-helix	trans	-57.3	-47.5	173.5	0	0	0	0	0	111.8	E262 V263 C268 M269 E270	E262-A266 VanDerWaalsContact O-CB 3.3Å; E262-A266 WeakPolarHBondContact O-CB 3.36Å; E262-A266 PolarHBondContact O-N 2.81Å; V263-A266 PolarHBondContact O-N 2.76Å; A266-C268 VanDerWaalsContact C-N 3.32Å; A266-C268 PolarHBondContact O-N 3.27Å; A266-M269 PolarHBondContact O-N 3.09Å; A266-E270 WeakPolarHBondContact O-CB 3.19Å; A266-E270 PolarHBondContact O-N 3.3Å
267	Q	98.8	Very high	98.7	Very high	38 Å²	38	52.9 Å²	52.9	18%	0.178	27%	0.27	C	S	.	.	H	α-helix	trans	-61.9	-38.4	176	-69.7	-92.8	-58	0	0	112.4	S209 V210 V263 M264 Y265 E270 V271	S209-Q267 VanDerWaalsContact OG-CB 3.27Å; S209-Q267 WeakPolarHBondContact OG-CB 3.46Å; V210-Q267 VanDerWaalsContact CB-OE1 3.29Å; V210-Q267 HydrophobicContact CG2-CB 4.19Å; V210-Q267 VanDerWaalsContact CG2-CD 3.45Å; V210-Q267 HydrophobicContact CG2-CG 4.38Å; V210-Q267 VanDerWaalsContact CG2-OE1 3.29Å; V263-Q267 HydrophobicContact CG1-CG 4.49Å; V263-Q267 WeakPolarHBondContact O-CB 3.45Å; V263-Q267 WeakPolarHBondContact O-CG 3.46Å; V263-Q267 PolarHBondContact O-N 3.1Å; M264-Q267 PolarHBondContact O-N 2.77Å; Y265-Q267 PolarHBondContact O-N 3.24Å; Q267-E270 PolarHBondContact O-N 3.25Å; Q267-V271 WeakPolarHBondContact O-CB 3.44Å; Q267-V271 WeakPolarHBondContact O-CG2 3.41Å; Q267-V271 PolarHBondContact O-N 3.44Å
268	C	98.8	Very high	98.7	Very high	1 Å²	1	54.3 Å²	54.3	1%	0.007	28%	0.279	C	S	.	.	H	α-helix	trans	-63.4	-42.9	175.8	-172	0	0	0	0	111.8	L223 M264 Y265 A266 G272 C276	L223-C268 HydrophobicContact CD2-CB 3.78Å; M264-C268 WeakPolarHBondContact O-CB 2.98Å; M264-C268 PolarHBondContact O-N 3.41Å; Y265-C268 WeakPolarHBondContact O-CB 3.37Å; Y265-C268 PolarHBondContact O-N 2.67Å; Y265-C268 VanDerWaalsContact O-N 3.16Å; A266-C268 VanDerWaalsContact C-N 3.32Å; A266-C268 PolarHBondContact O-N 3.27Å; C268-G272 PolarHBondContact O-N 3.41Å; C268-C276 WeakPolarHBondContact CA-SG 3.33Å; C268-C276 HydrophobicContact CB-CB 3.96Å; C268-C276 WeakPolarHBondContact CB-SG 3.37Å; C268-C276 WeakPolarHBondContact O-CB 3.27Å; C268-C276 WeakPolarHBondContact SG-CB 3.45Å; C268-C276 CovalentContact SG-SG 2.03Å; C268-C276 PolarHBondContact SG-SG 3.11Å
269	M	98.6	Very high	98.7	Very high	84 Å²	84	53.9 Å²	53.9	41%	0.414	28%	0.277	S	S	.	.	H	α-helix	trans	-67.5	-39.1	176.3	-64.4	-56.5	97.3	0	0	111.9	Y265 A266 G272 P278	Y265-M269 HydrophobicContact CD1-CG 4.11Å; Y265-M269 HydrophobicContact CE1-CG 3.85Å; Y265-M269 HydrophobicContact CE1-SD 4.21Å; Y265-M269 HydrophobicContact CE2-CE 4.06Å; Y265-M269 WeakPolarHBondContact O-CG 3.38Å; Y265-M269 PolarHBondContact O-N 2.66Å; A266-M269 PolarHBondContact O-N 3.09Å; M269-G272 PolarHBondContact O-N 3.21Å; M269-P278 HydrophobicContact CE-CG 3.77Å
270	E	98.8	Very high	98.7	Very high	134 Å²	134	51.5 Å²	51.5	63%	0.626	27%	0.265	S	S	*	.	H	α-helix	trans	-64.8	-41.2	178.2	-173	-179.3	157.7	0	0	112.4	V210 A266 Q267 G272	V210-E270 HydrophobicContact CG2-CB 4.02Å; V210-E270 HydrophobicContact CG2-CG 3.94Å; A266-E270 WeakPolarHBondContact O-CB 3.19Å; A266-E270 PolarHBondContact O-N 3.3Å; Q267-E270 PolarHBondContact O-N 3.25Å; E270-G272 PolarHBondContact O-N 3.38Å
271	V	98.4	Very high	98.7	Very high	23 Å²	23	51.8 Å²	51.8	14%	0.139	26%	0.264	C	S	.	.	H	α-helix	trans	-66.4	-26	174.8	165	0	0	0	0	112.4	V210 F221 Q267 K275 C276	V210-V271 HydrophobicContact CB-CG2 4.21Å; V210-V271 HydrophobicContact CG2-CG2 3.69Å; F221-V271 HydrophobicContact CD2-CG1 4.07Å; F221-V271 HydrophobicContact CE2-CG1 4.27Å; Q267-V271 WeakPolarHBondContact O-CB 3.44Å; Q267-V271 WeakPolarHBondContact O-CG2 3.41Å; Q267-V271 PolarHBondContact O-N 3.44Å; V271-K275 HydrophobicContact CG1-CB 3.22Å; V271-K275 HydrophobicContact CG1-CD 4.06Å; V271-K275 HydrophobicContact CG1-CG 4.27Å; V271-C276 HydrophobicContact CB-CB 4.47Å; V271-C276 HydrophobicContact CG1-CB 4.21Å
272	G	98.4	Very high	98.8	Very high	25 Å²	25	51.8 Å²	51.8	26%	0.258	26%	0.264	S	S	.	.			trans	91	160.7	173.9	0	0	0	0	0	114.7	C268 M269 E270 D274 K275 C276	C268-G272 PolarHBondContact O-N 3.41Å; M269-G272 PolarHBondContact O-N 3.21Å; E270-G272 PolarHBondContact O-N 3.38Å; G272-D274 PolarHBondContact O-N 2.88Å; G272-K275 PolarHBondContact O-N 2.8Å; G272-K275 VanDerWaalsContact O-N 3.08Å; G272-C276 PolarHBondContact O-N 3.47Å
273	K	98.2	Very high	98.8	Very high	183 Å²	183	51.9 Å²	51.9	80%	0.796	26%	0.264	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.6	-24.3	-171.3	-65.4	-177.1	179.9	179.7	0	114.3	K275 F298	K273-K275 VanDerWaalsContact C-N 3.27Å; K273-K275 PolarHBondContact O-N 3.23Å; K273-F298 VanDerWaalsContact O-CE2 3.28Å; K273-F298 WeakPolarHBondContact O-CE2 3.43Å
274	D	98.4	Very high	98.8	Very high	135 Å²	135	49.6 Å²	49.6	72%	0.722	25%	0.251	S	S	*	.	T	Hydrogen-bonded Turn	trans	-77.4	-18.1	179.1	-59.5	-31.4	0	0	0	112.6	K220 G272	K220-D274 PolarHBondContact NZ-O 3.37Å; G272-D274 PolarHBondContact O-N 2.88Å
275	K	98.7	Very high	98.8	Very high	56 Å²	56	49.7 Å²	49.7	24%	0.243	25%	0.251	C	S	.	.	T	Hydrogen-bonded Turn	trans	-119.4	-27.1	-174.1	-79.2	168	163	-79.5	0	113.2	S213 P217 K220 F221 V271 G272 K273	S213-K275 PolarHBondContact OG-NZ 3.47Å; P217-K275 PolarHBondContact O-NZ 2.76Å; K220-K275 CarbonylContact C-O 3.34Å; K220-K275 VanDerWaalsContact CA-O 3.3Å; K220-K275 WeakPolarHBondContact CA-O 3.25Å; F221-K275 WeakPolarHBondContact CD2-O 3.39Å; F221-K275 PolarHBondContact N-O 3.08Å; V271-K275 HydrophobicContact CG1-CB 3.22Å; V271-K275 HydrophobicContact CG1-CD 4.06Å; V271-K275 HydrophobicContact CG1-CG 4.27Å; G272-K275 PolarHBondContact O-N 2.8Å; G272-K275 VanDerWaalsContact O-N 3.08Å; K273-K275 VanDerWaalsContact C-N 3.27Å; K273-K275 PolarHBondContact O-N 3.23Å
276	C	98.9	Very high	98.8	Very high	3 Å²	3	47.2 Å²	47.2	2%	0.02	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.8	129.1	176.3	-169	0	0	0	0	112.8	F221 C268 V271 G272	F221-C276 HydrophobicContact CB-CB 3.97Å; F221-C276 WeakPolarHBondContact O-CA 3.42Å; C268-C276 WeakPolarHBondContact CA-SG 3.33Å; C268-C276 HydrophobicContact CB-CB 3.96Å; C268-C276 WeakPolarHBondContact CB-SG 3.37Å; C268-C276 WeakPolarHBondContact O-CB 3.27Å; C268-C276 WeakPolarHBondContact SG-CB 3.45Å; C268-C276 CovalentContact SG-SG 2.03Å; C268-C276 PolarHBondContact SG-SG 3.11Å; V271-C276 HydrophobicContact CB-CB 4.47Å; V271-C276 HydrophobicContact CG1-CB 4.21Å; G272-C276 PolarHBondContact O-N 3.47Å
277	L	98.9	Very high	98.8	Very high	47 Å²	47	45.8 Å²	45.8	25%	0.246	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.6	115.1	176.8	178.7	63.8	0	0	0	110.1	F221 L222 L223 V279 I295 F298	F221-L277 PolarHBondContact O-N 2.71Å; L222-L277 WeakPolarHBondContact CA-O 3.48Å; L222-L277 HydrophobicContact CD2-CB 4.02Å; L222-L277 HydrophobicContact CD2-CD2 4.2Å; L223-L277 PolarHBondContact N-O 2.74Å; L277-V279 HydrophobicContact CD2-CG2 4.26Å; L277-V279 HydrophobicContact CG-CG2 4.15Å; L277-V279 PolarHBondContact O-N 2.89Å; L277-I295 HydrophobicContact CD2-CG1 3.89Å; L277-F298 HydrophobicContact CB-CD1 3.78Å; L277-F298 HydrophobicContact CB-CD2 4.17Å; L277-F298 HydrophobicContact CB-CE1 3.64Å; L277-F298 HydrophobicContact CB-CE2 4.05Å; L277-F298 HydrophobicContact CB-CG 4.04Å; L277-F298 HydrophobicContact CB-CZ 3.79Å; L277-F298 HydrophobicContact CD2-CB 3.94Å; L277-F298 HydrophobicContact CD2-CD1 3.82Å; L277-F298 HydrophobicContact CD2-CG 3.84Å; L277-F298 HydrophobicContact CG-CD1 4.45Å; L277-F298 HydrophobicContact CG-CG 4.5Å
278	P	98.9	Very high	98.8	Very high	30 Å²	30	44.1 Å²	44.1	20%	0.195	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-65.5	127.7	164.8	-19.9	32.9	0	0	0	110.8	L223 V225 Y265 M269	L223-P278 CarbonylContact O-C 3.57Å; L223-P278 WeakPolarHBondContact O-CA 3.47Å; V225-P278 HydrophobicContact CG2-CB 4.19Å; Y265-P278 HydrophobicContact CE2-CB 4.4Å; Y265-P278 HydrophobicContact CE2-CG 4.03Å; M269-P278 HydrophobicContact CE-CG 3.77Å
279	V	98.9	Very high	98.8	Very high	9 Å²	9	49 Å²	49	6%	0.055	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.6	112.8	179.1	179	0	0	0	0	109	M127 L222 L223 M224 V225 L277 Y281 L284 I295	M127-V279 HydrophobicContact SD-CG1 4.28Å; L222-V279 HydrophobicContact CB-CG2 4.45Å; L222-V279 HydrophobicContact CD2-CG2 4.29Å; L223-V279 PolarHBondContact O-N 3.05Å; M224-V279 WeakPolarHBondContact CA-O 3.39Å; M224-V279 HydrophobicContact CE-CB 4.27Å; M224-V279 HydrophobicContact CE-CG1 3.87Å; M224-V279 HydrophobicContact SD-CB 3.75Å; M224-V279 HydrophobicContact SD-CG1 3.83Å; V225-V279 PolarHBondContact N-O 3.05Å; L277-V279 HydrophobicContact CD2-CG2 4.26Å; L277-V279 HydrophobicContact CG-CG2 4.15Å; L277-V279 PolarHBondContact O-N 2.89Å; V279-Y281 PolarHBondContact O-N 2.88Å; V279-L284 HydrophobicContact CG1-CB 4.43Å; V279-L284 HydrophobicContact CG1-CD2 4.46Å; V279-I295 HydrophobicContact CB-CD1 4.46Å; V279-I295 HydrophobicContact CG1-CD1 3.76Å; V279-I295 HydrophobicContact CG2-CD1 3.79Å; V279-I295 HydrophobicContact CG2-CG1 3.99Å
280	Y	98.9	Very high	98.8	Very high	72 Å²	72	52.4 Å²	52.4	28%	0.282	25%	0.245	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-77.5	118.9	179.1	-72.3	-98.5	0	0	0	110.4	V225 E282 Q283 L284 L366 Y368	V225-Y280 HydrophobicContact CB-CD1 4.35Å; V225-Y280 HydrophobicContact CB-CE1 4.42Å; V225-Y280 HydrophobicContact CG1-CD1 4.18Å; V225-Y280 HydrophobicContact CG1-CE1 3.96Å; V225-Y280 CarbonylContact O-C 3.52Å; V225-Y280 WeakPolarHBondContact O-CA 3.42Å; Y280-E282 VanDerWaalsContact C-N 3.29Å; Y280-E282 PolarHBondContact O-N 2.59Å; Y280-Q283 PolarHBondContact O-N 2.92Å; Y280-L284 WeakPolarHBondContact O-CB 3.45Å; Y280-L284 PolarHBondContact O-N 2.83Å; Y280-L366 WeakPolarHBondContact CE1-O 3.23Å; Y280-L366 PolarHBondContact OH-O 3.23Å; Y280-Y368 HydrophobicContact CD1-CE2 4.45Å; Y280-Y368 AromaticContact CD1-CZ 3.94Å; Y280-Y368 VanDerWaalsContact CD1-OH 3.27Å; Y280-Y368 WeakPolarHBondContact CD1-OH 3.47Å; Y280-Y368 HydrophobicContact CE1-CE2 4.18Å
281	Y	98.9	Very high	98.8	Very high	17 Å²	17	46.9 Å²	46.9	7%	0.067	22%	0.221	C	C	.	.	H	α-helix	trans	-56.7	-43.5	-178	165.4	-100	0	0	0	112.1	L126 V225 R226 V279 Q283 L284 V285 L341	L126-Y281 HydrophobicContact CD2-CE2 4.24Å; V225-Y281 PolarHBondContact O-N 2.99Å; R226-Y281 HydrophobicContact CB-CG 4.45Å; R226-Y281 HydrophobicContact CG-CD1 3.69Å; R226-Y281 HydrophobicContact CG-CG 4.04Å; R226-Y281 VanDerWaalsContact NE-CD1 3.33Å; V279-Y281 PolarHBondContact O-N 2.88Å; Y281-Q283 VanDerWaalsContact C-N 3.33Å; Y281-Q283 PolarHBondContact O-N 3.42Å; Y281-L284 WeakPolarHBondContact O-CB 3.43Å; Y281-L284 PolarHBondContact O-N 3.3Å; Y281-V285 HydrophobicContact CD2-CG2 3.99Å; Y281-V285 HydrophobicContact CE1-CG2 4.12Å; Y281-V285 HydrophobicContact CE2-CG2 3.46Å; Y281-V285 VanDerWaalsContact CE2-CG2 3.46Å; Y281-V285 WeakPolarHBondContact O-CB 3.42Å; Y281-V285 WeakPolarHBondContact O-CG2 3.33Å; Y281-V285 PolarHBondContact O-N 2.69Å; Y281-L341 HydrophobicContact CE1-CD2 4.1Å
282	E	98.9	Very high	98.8	Very high	2 Å²	2	45.8 Å²	45.8	1%	0.009	21%	0.214	C	C	.	.	H	α-helix	trans	-63.8	-42.9	-178.8	-61.4	79.4	-175.1	0	0	110	R226 D227 Y280 V285 L286 L341 Y368 Y377	R226-E282 WeakPolarHBondContact CG-OE1 3.43Å; D227-E282 PolarHBondContact N-OE1 3.28Å; Y280-E282 VanDerWaalsContact C-N 3.29Å; Y280-E282 PolarHBondContact O-N 2.59Å; E282-V285 PolarHBondContact O-N 2.9Å; E282-L286 VanDerWaalsContact O-CB 3.31Å; E282-L286 WeakPolarHBondContact O-CB 3.32Å; E282-L286 WeakPolarHBondContact O-CG 3.37Å; E282-L286 PolarHBondContact O-N 3.17Å; E282-L341 HydrophobicContact CB-CD2 4.1Å; E282-L341 HydrophobicContact CG-CD2 4.05Å; E282-Y368 PolarHBondContact OE2-OH 3.49Å; E282-Y377 HydrophobicContact CB-CD1 4.19Å; E282-Y377 HydrophobicContact CB-CG 4.14Å; E282-Y377 HydrophobicContact CG-CD1 3.72Å; E282-Y377 HydrophobicContact CG-CD2 4.27Å; E282-Y377 HydrophobicContact CG-CE1 4.03Å; E282-Y377 HydrophobicContact CG-CG 3.86Å
283	Q	98.9	Very high	98.8	Very high	74 Å²	74	49.7 Å²	49.7	35%	0.346	22%	0.224	S	C	.	.	H	α-helix	trans	-70.6	-35	176.6	-54.4	-48.3	88.6	0	0	112.4	Y280 Y281 V285 H287 S291 Y377	Y280-Q283 PolarHBondContact O-N 2.92Å; Y281-Q283 VanDerWaalsContact C-N 3.33Å; Y281-Q283 PolarHBondContact O-N 3.42Å; Q283-V285 VanDerWaalsContact C-N 3.34Å; Q283-H287 CarbonylContact O-C 3.55Å; Q283-H287 WeakPolarHBondContact O-CA 3.49Å; Q283-H287 WeakPolarHBondContact O-CB 3.35Å; Q283-H287 PolarHBondContact O-N 2.99Å; Q283-S291 PolarHBondContact O-OG 3.28Å; Q283-S291 VanDerWaalsContact O-OG 3.13Å; Q283-Y377 PolarHBondContact OE1-O 3.12Å; Q283-Y377 VanDerWaalsContact OE1-O 3.06Å
284	L	98.9	Very high	98.8	Very high	0 Å²	0	46.2 Å²	46.2	0%	0	21%	0.213	C	C	.	.	H	α-helix	trans	-62.5	-42.8	172.7	176.7	62.7	0	0	0	111.1	M127 M130 M224 V279 Y280 Y281 P288 L292	M127-L284 HydrophobicContact CB-CD2 4.48Å; M127-L284 HydrophobicContact SD-CD2 3.99Å; M130-L284 HydrophobicContact CE-CD1 4.34Å; M130-L284 HydrophobicContact SD-CD1 4.02Å; M130-L284 HydrophobicContact SD-CD2 4.37Å; M130-L284 HydrophobicContact SD-CG 4.38Å; M224-L284 HydrophobicContact CE-CD2 3.91Å; V279-L284 HydrophobicContact CG1-CB 4.43Å; V279-L284 HydrophobicContact CG1-CD2 4.46Å; Y280-L284 WeakPolarHBondContact O-CB 3.45Å; Y280-L284 PolarHBondContact O-N 2.83Å; Y281-L284 WeakPolarHBondContact O-CB 3.43Å; Y281-L284 PolarHBondContact O-N 3.3Å; L284-P288 WeakPolarHBondContact O-CA 3.28Å; L284-P288 WeakPolarHBondContact O-CB 3.42Å; L284-L292 HydrophobicContact CD1-CD2 3.56Å; L284-L292 HydrophobicContact CD1-CG 4.32Å
285	V	98.8	Very high	98.9	Very high	1 Å²	1	40 Å²	40	1%	0.006	18%	0.18	C	C	.	.	H	α-helix	trans	-72.3	-45.4	179.2	167.6	0	0	0	0	111.6	L126 Y281 E282 Q283 V336 N337 L338 L341 V384	L126-V285 HydrophobicContact CD2-CG2 4.2Å; Y281-V285 HydrophobicContact CD2-CG2 3.99Å; Y281-V285 HydrophobicContact CE1-CG2 4.12Å; Y281-V285 HydrophobicContact CE2-CG2 3.46Å; Y281-V285 VanDerWaalsContact CE2-CG2 3.46Å; Y281-V285 WeakPolarHBondContact O-CB 3.42Å; Y281-V285 WeakPolarHBondContact O-CG2 3.33Å; Y281-V285 PolarHBondContact O-N 2.69Å; E282-V285 PolarHBondContact O-N 2.9Å; Q283-V285 VanDerWaalsContact C-N 3.34Å; V285-V336 HydrophobicContact CB-CG1 4.33Å; V285-V336 HydrophobicContact CG1-CG1 4.26Å; V285-V336 HydrophobicContact CG2-CG1 4.34Å; V285-N337 WeakPolarHBondContact CG1-O 3.46Å; V285-L338 HydrophobicContact CG1-CD2 4.06Å; V285-L341 HydrophobicContact CB-CD2 4.1Å; V285-L341 HydrophobicContact CG1-CD1 4.34Å; V285-L341 HydrophobicContact CG1-CD2 3.95Å; V285-L341 HydrophobicContact CG1-CG 4.21Å; V285-V384 HydrophobicContact CG1-CG1 4.48Å; V285-V384 VanDerWaalsContact O-CG1 3.31Å; V285-V384 WeakPolarHBondContact O-CG1 3.44Å; V285-V384 VanDerWaalsContact O-CG2 3.24Å; V285-V384 WeakPolarHBondContact O-CG2 3.26Å
286	L	98.8	Very high	98.9	Very high	3 Å²	3	37.5 Å²	37.5	2%	0.016	17%	0.169	C	C	.	.	H	α-helix	trans	-69.5	-37.7	-178.6	-69.2	170.3	0	0	0	111.9	E282 L338 L341 Y377 P380 D381	E282-L286 VanDerWaalsContact O-CB 3.31Å; E282-L286 WeakPolarHBondContact O-CB 3.32Å; E282-L286 WeakPolarHBondContact O-CG 3.37Å; E282-L286 PolarHBondContact O-N 3.17Å; L286-L338 HydrophobicContact CD2-CD2 3.88Å; L286-L341 HydrophobicContact CD2-CD1 3.7Å; L286-L341 HydrophobicContact CG-CD1 4.16Å; L286-Y377 WeakPolarHBondContact CD1-O 3.32Å; L286-P380 HydrophobicContact CD2-CB 3.83Å; L286-D381 PolarHBondContact O-N 2.85Å
287	H	98.9	Very high	98.9	Very high	25 Å²	25	43.5 Å²	43.5	12%	0.116	20%	0.201	C	C	.	.			trans	-133.3	62.5	-172.4	-50.7	-64.7	0	0	0	112.5	Q283 R289 R290 S291 N379 D381	Q283-H287 CarbonylContact O-C 3.55Å; Q283-H287 WeakPolarHBondContact O-CA 3.49Å; Q283-H287 WeakPolarHBondContact O-CB 3.35Å; Q283-H287 PolarHBondContact O-N 2.99Å; H287-R289 PolarHBondContact O-N 3.16Å; H287-R290 HydrophobicContact CB-CB 4.2Å; H287-R290 PolarHBondContact O-N 3.17Å; H287-S291 VanDerWaalsContact O-CB 3.31Å; H287-S291 WeakPolarHBondContact O-CB 3.22Å; H287-S291 PolarHBondContact O-N 3.2Å; H287-S291 PolarHBondContact O-OG 2.96Å; H287-N379 PolarHBondContact CE1-O 2.81Å; H287-D381 WeakPolarHBondContact CA-OD2 3.28Å; H287-D381 IonicContact CE1-OD1 2.76Å; H287-D381 IonicContact CG-OD1 3.82Å; H287-D381 IonicContact ND1-OD1 2.76Å; H287-D381 PolarHBondContact ND1-OD1 3.11Å; H287-D381 IonicContact ND1-OD2 2.65Å
288	P	98.8	Very high	98.9	Very high	3 Å²	3	42.8 Å²	42.8	2%	0.019	20%	0.196	C	C	.	.	H	α-helix	trans	-63.3	-39.5	-171.1	24.3	-34.2	0	0	0	112.8	M130 L284 S291 L292 L308 I383 V384	M130-P288 HydrophobicContact CE-CB 4.02Å; L284-P288 WeakPolarHBondContact O-CA 3.28Å; L284-P288 WeakPolarHBondContact O-CB 3.42Å; P288-S291 PolarHBondContact O-N 3.29Å; P288-L292 WeakPolarHBondContact O-CB 3.29Å; P288-L292 WeakPolarHBondContact O-CG 3.33Å; P288-L292 PolarHBondContact O-N 2.75Å; P288-L308 HydrophobicContact CB-CD2 3.91Å; P288-L308 HydrophobicContact CG-CD2 4.44Å; P288-I383 HydrophobicContact CG-CG2 4.31Å; P288-V384 VanDerWaalsContact CD-CG2 3.45Å; P288-V384 HydrophobicContact CG-CG2 3.73Å
289	R	98.8	Very high	98.9	Very high	104 Å²	104	42.2 Å²	42.2	39%	0.392	19%	0.191	S	C	.	.	H	α-helix	trans	-64.7	-44.6	179	-173	173.9	-173.5	87.1	-2.8	112.1	H287 K293 W303 D305 L308	H287-R289 PolarHBondContact O-N 3.16Å; R289-K293 VanDerWaalsContact O-CG 3.3Å; R289-K293 WeakPolarHBondContact O-CG 3.31Å; R289-K293 PolarHBondContact O-N 3.36Å; R289-W303 HydrophobicContact CG-CH2 4.21Å; R289-W303 HydrophobicContact CG-CZ2 4.48Å; R289-D305 IonicContact CZ-OD1 3.41Å; R289-D305 IonicContact NH1-OD1 3.72Å; R289-D305 PolarHBondContact NH1-OD1 2.82Å; R289-L308 HydrophobicContact CB-CD1 4.02Å; R289-L308 HydrophobicContact CB-CD2 4.33Å; R289-L308 HydrophobicContact CG-CD1 4.09Å
290	R	98.8	Very high	98.9	Very high	155 Å²	155	44.9 Å²	44.9	59%	0.585	22%	0.221	S	C	*	.	H	α-helix	trans	-64.8	-49.6	176.5	-176.4	-172.7	-65.6	161.2	1.3	110.4	H287 L292 K293 L294	H287-R290 HydrophobicContact CB-CB 4.2Å; H287-R290 PolarHBondContact O-N 3.17Å; R290-L292 PolarHBondContact O-N 3.18Å; R290-K293 PolarHBondContact O-N 3.02Å; R290-L294 HydrophobicContact CG-CD1 4.4Å; R290-L294 PolarHBondContact O-N 2.85Å
291	S	98.9	Very high	98.8	Very high	17 Å²	17	42.1 Å²	42.1	12%	0.119	21%	0.211	C	C	.	.	H	α-helix	trans	-58.8	-46.3	-177.8	-64.6	0	0	0	0	111.7	Q283 H287 P288 L294 I295	Q283-S291 PolarHBondContact O-OG 3.28Å; Q283-S291 VanDerWaalsContact O-OG 3.13Å; H287-S291 VanDerWaalsContact O-CB 3.31Å; H287-S291 WeakPolarHBondContact O-CB 3.22Å; H287-S291 PolarHBondContact O-N 3.2Å; H287-S291 PolarHBondContact O-OG 2.96Å; P288-S291 PolarHBondContact O-N 3.29Å; S291-L294 PolarHBondContact O-N 3.35Å; S291-I295 WeakPolarHBondContact O-CD1 3.43Å; S291-I295 VanDerWaalsContact O-CG1 3.28Å; S291-I295 WeakPolarHBondContact O-CG1 3.25Å; S291-I295 PolarHBondContact O-N 2.56Å
292	L	98.9	Very high	98.8	Very high	1 Å²	1	44.3 Å²	44.3	1%	0.005	23%	0.233	C	C	.	.	H	α-helix	trans	-73.9	-28.5	-178.7	-70.6	-143.2	0	0	0	114.2	M127 M130 L284 P288 R290 I295 L296 W303 V307	M127-L292 HydrophobicContact CE-CD2 3.8Å; M127-L292 HydrophobicContact SD-CD2 4.47Å; M130-L292 HydrophobicContact CB-CD1 3.78Å; M130-L292 HydrophobicContact CE-CD1 3.49Å; M130-L292 VanDerWaalsContact CE-CD1 3.49Å; M130-L292 HydrophobicContact CE-CD2 4.31Å; M130-L292 HydrophobicContact CE-CG 3.8Å; M130-L292 HydrophobicContact CG-CD1 4.48Å; M130-L292 HydrophobicContact SD-CD1 4.22Å; L284-L292 HydrophobicContact CD1-CD2 3.56Å; L284-L292 HydrophobicContact CD1-CG 4.32Å; P288-L292 WeakPolarHBondContact O-CB 3.29Å; P288-L292 WeakPolarHBondContact O-CG 3.33Å; P288-L292 PolarHBondContact O-N 2.75Å; R290-L292 PolarHBondContact O-N 3.18Å; L292-I295 HydrophobicContact CD2-CD1 3.71Å; L292-I295 PolarHBondContact O-N 2.8Å; L292-L296 WeakPolarHBondContact O-CB 3.24Å; L292-L296 VanDerWaalsContact O-CG 3.26Å; L292-L296 WeakPolarHBondContact O-CG 3.44Å; L292-L296 PolarHBondContact O-N 3.36Å; L292-W303 HydrophobicContact CB-CZ3 3.96Å; L292-V307 HydrophobicContact CB-CG2 4.11Å; L292-V307 HydrophobicContact CD1-CB 3.45Å; L292-V307 VanDerWaalsContact CD1-CB 3.45Å; L292-V307 HydrophobicContact CD1-CG1 4.46Å; L292-V307 HydrophobicContact CD1-CG2 3.42Å; L292-V307 VanDerWaalsContact CD1-CG2 3.42Å; L292-V307 HydrophobicContact CG-CG2 4.36Å
293	K	98.8	Very high	98.8	Very high	107 Å²	107	48.6 Å²	48.6	47%	0.465	25%	0.249	S	C	.	.	H	α-helix	trans	-60	-47.5	169	-78.8	179.1	173.8	-166.5	0	111.4	R289 R290 D297 W303	R289-K293 VanDerWaalsContact O-CG 3.3Å; R289-K293 WeakPolarHBondContact O-CG 3.31Å; R289-K293 PolarHBondContact O-N 3.36Å; R290-K293 PolarHBondContact O-N 3.02Å; K293-D297 VanDerWaalsContact O-CB 3.28Å; K293-D297 WeakPolarHBondContact O-CB 3.24Å; K293-D297 PolarHBondContact O-N 3.43Å; K293-W303 HydrophobicContact CB-CE3 4.49Å; K293-W303 HydrophobicContact CG-CD2 4.29Å; K293-W303 HydrophobicContact CG-CE3 3.58Å; K293-W303 HydrophobicContact CG-CH2 4.4Å; K293-W303 HydrophobicContact CG-CZ3 3.65Å
294	L	98.9	Very high	98.8	Very high	109 Å²	109	46.3 Å²	46.3	57%	0.571	24%	0.241	S	C	*	.	H	α-helix	trans	-65	-39.9	178.7	-65.9	172.5	0	0	0	112.1	R290 S291 F298	R290-L294 HydrophobicContact CG-CD1 4.4Å; R290-L294 PolarHBondContact O-N 2.85Å; S291-L294 PolarHBondContact O-N 3.35Å; L294-F298 VanDerWaalsContact O-CB 3.3Å; L294-F298 WeakPolarHBondContact O-CB 3.31Å; L294-F298 PolarHBondContact O-N 3.29Å
295	I	98.9	Very high	98.8	Very high	5 Å²	5	49.6 Å²	49.6	3%	0.026	26%	0.259	C	S	.	.	H	α-helix	trans	-67.8	-47.1	179.3	-70.7	161.9	0	0	0	111	M127 L222 L277 V279 S291 L292 D297 F298 L299	M127-I295 HydrophobicContact CE-CD1 3.99Å; M127-I295 HydrophobicContact CE-CG2 4Å; M127-I295 HydrophobicContact SD-CD1 3.82Å; L222-I295 HydrophobicContact CD1-CG2 3.7Å; L222-I295 HydrophobicContact CD2-CG2 4.12Å; L277-I295 HydrophobicContact CD2-CG1 3.89Å; V279-I295 HydrophobicContact CB-CD1 4.46Å; V279-I295 HydrophobicContact CG1-CD1 3.76Å; V279-I295 HydrophobicContact CG2-CD1 3.79Å; V279-I295 HydrophobicContact CG2-CG1 3.99Å; S291-I295 WeakPolarHBondContact O-CD1 3.43Å; S291-I295 VanDerWaalsContact O-CG1 3.28Å; S291-I295 WeakPolarHBondContact O-CG1 3.25Å; S291-I295 PolarHBondContact O-N 2.56Å; L292-I295 HydrophobicContact CD2-CD1 3.71Å; L292-I295 PolarHBondContact O-N 2.8Å; I295-D297 VanDerWaalsContact C-N 3.35Å; I295-D297 PolarHBondContact O-N 3.08Å; I295-F298 PolarHBondContact O-N 2.9Å; I295-L299 HydrophobicContact CG2-CD1 3.88Å; I295-L299 HydrophobicContact CG2-CG 4.39Å; I295-L299 WeakPolarHBondContact O-CB 3.24Å; I295-L299 WeakPolarHBondContact O-CG 3.47Å; I295-L299 PolarHBondContact O-N 2.84Å
296	L	98.9	Very high	98.8	Very high	3 Å²	3	50.9 Å²	50.9	2%	0.016	27%	0.27	C	S	.	.	H	α-helix	trans	-65.9	-38.5	-180	-68.7	175.8	0	0	0	111.8	L131 L292 L299 G300 I301 W303 V307	L131-L296 HydrophobicContact CD2-CD2 4.33Å; L292-L296 WeakPolarHBondContact O-CB 3.24Å; L292-L296 VanDerWaalsContact O-CG 3.26Å; L292-L296 WeakPolarHBondContact O-CG 3.44Å; L292-L296 PolarHBondContact O-N 3.36Å; L296-L299 CarbonylContact O-C 3.6Å; L296-L299 PolarHBondContact O-N 3.13Å; L296-G300 PolarHBondContact O-N 3.44Å; L296-I301 CarbonylContact C-O 3.56Å; L296-I301 HydrophobicContact CD2-CB 4.13Å; L296-I301 HydrophobicContact CD2-CG2 4.15Å; L296-I301 PolarHBondContact O-N 2.75Å; L296-W303 HydrophobicContact CD1-CE3 3.85Å; L296-W303 HydrophobicContact CD1-CZ3 4.29Å; L296-V307 HydrophobicContact CD1-CG1 4.31Å
297	D	98.9	Very high	98.8	Very high	130 Å²	130	50.8 Å²	50.8	70%	0.695	27%	0.269	S	S	*	.	H	α-helix	trans	-60.6	-49.3	172.4	-175.4	58.5	0	0	0	111.7	K293 I295 L299 G300	K293-D297 VanDerWaalsContact O-CB 3.28Å; K293-D297 WeakPolarHBondContact O-CB 3.24Å; K293-D297 PolarHBondContact O-N 3.43Å; I295-D297 VanDerWaalsContact C-N 3.35Å; I295-D297 PolarHBondContact O-N 3.08Å; D297-L299 PolarHBondContact O-N 2.81Å; D297-G300 PolarHBondContact O-N 3.12Å
298	F	98.9	Very high	98.8	Very high	31 Å²	31	49.9 Å²	49.9	14%	0.136	27%	0.265	C	S	.	.	H	α-helix	trans	-56.2	-38.1	174.1	163.5	-100.9	0	0	0	112.9	K220 L222 K273 L277 L294 I295 G300	K220-F298 HydrophobicContact CB-CE1 3.97Å; K220-F298 HydrophobicContact CB-CZ 4.09Å; K220-F298 HydrophobicContact CD-CE1 4.16Å; K220-F298 HydrophobicContact CD-CZ 4.2Å; K220-F298 WeakPolarHBondContact CD-O 3.47Å; K220-F298 WeakPolarHBondContact CE-O 3.41Å; K220-F298 HydrophobicContact CG-CE1 4.39Å; K220-F298 HydrophobicContact CG-CZ 4.2Å; K220-F298 PolarHBondContact NZ-O 3.38Å; L222-F298 HydrophobicContact CD2-CD1 3.87Å; L222-F298 HydrophobicContact CD2-CE1 3.74Å; K273-F298 VanDerWaalsContact O-CE2 3.28Å; K273-F298 WeakPolarHBondContact O-CE2 3.43Å; L277-F298 HydrophobicContact CB-CD1 3.78Å; L277-F298 HydrophobicContact CB-CD2 4.17Å; L277-F298 HydrophobicContact CB-CE1 3.64Å; L277-F298 HydrophobicContact CB-CE2 4.05Å; L277-F298 HydrophobicContact CB-CG 4.04Å; L277-F298 HydrophobicContact CB-CZ 3.79Å; L277-F298 HydrophobicContact CD2-CB 3.94Å; L277-F298 HydrophobicContact CD2-CD1 3.82Å; L277-F298 HydrophobicContact CD2-CG 3.84Å; L277-F298 HydrophobicContact CG-CD1 4.45Å; L277-F298 HydrophobicContact CG-CG 4.5Å; L294-F298 VanDerWaalsContact O-CB 3.3Å; L294-F298 WeakPolarHBondContact O-CB 3.31Å; L294-F298 PolarHBondContact O-N 3.29Å; I295-F298 PolarHBondContact O-N 2.9Å; F298-G300 VanDerWaalsContact C-N 3.31Å
299	L	98.8	Very high	98.7	Very high	18 Å²	18	52.8 Å²	52.8	9%	0.094	28%	0.278	C	S	.	.	H	α-helix	trans	-77.5	-14	178.1	-67.1	175.6	0	0	0	113.5	I114 L131 K220 L222 I295 L296 D297 I301	I114-L299 HydrophobicContact CD1-CD1 3.83Å; I114-L299 HydrophobicContact CD1-CD2 4.33Å; I114-L299 HydrophobicContact CG1-CD1 4.44Å; I114-L299 HydrophobicContact CG1-CD2 4.05Å; I114-L299 HydrophobicContact CG2-CD2 4.19Å; L131-L299 HydrophobicContact CD2-CD1 4.16Å; K220-L299 HydrophobicContact CB-CD2 3.83Å; K220-L299 HydrophobicContact CD-CD2 3.99Å; L222-L299 HydrophobicContact CD1-CD1 4.36Å; L222-L299 HydrophobicContact CD2-CD2 4.39Å; I295-L299 HydrophobicContact CG2-CD1 3.88Å; I295-L299 HydrophobicContact CG2-CG 4.39Å; I295-L299 WeakPolarHBondContact O-CB 3.24Å; I295-L299 WeakPolarHBondContact O-CG 3.47Å; I295-L299 PolarHBondContact O-N 2.84Å; L296-L299 CarbonylContact O-C 3.6Å; L296-L299 PolarHBondContact O-N 3.13Å; D297-L299 PolarHBondContact O-N 2.81Å; L299-I301 HydrophobicContact CB-CD1 3.89Å; L299-I301 HydrophobicContact CB-CG1 3.99Å; L299-I301 HydrophobicContact CD1-CD1 4.2Å
300	G	98.6	Very high	98.7	Very high	66 Å²	66	47.8 Å²	47.8	68%	0.68	26%	0.259	S	S	*	.	T	Hydrogen-bonded Turn	trans	69.3	34.9	-173.2	0	0	0	0	0	113	L296 D297 F298	L296-G300 PolarHBondContact O-N 3.44Å; D297-G300 PolarHBondContact O-N 3.12Å; F298-G300 VanDerWaalsContact C-N 3.31Å
301	I	98.7	Very high	98.6	Very high	14 Å²	14	41.3 Å²	41.3	7%	0.072	24%	0.236	C	C	.	.			trans	-114.8	136.9	-179.7	-58.1	174.3	0	0	0	108.6	I114 V137 V197 L296 L299	I114-I301 HydrophobicContact CD1-CD1 3.94Å; V137-I301 HydrophobicContact CG2-CD1 3.8Å; V197-I301 HydrophobicContact CG1-CD1 4.15Å; V197-I301 HydrophobicContact CG2-CD1 4.33Å; L296-I301 CarbonylContact C-O 3.56Å; L296-I301 HydrophobicContact CD2-CB 4.13Å; L296-I301 HydrophobicContact CD2-CG2 4.15Å; L296-I301 PolarHBondContact O-N 2.75Å; L299-I301 HydrophobicContact CB-CD1 3.89Å; L299-I301 HydrophobicContact CB-CG1 3.99Å; L299-I301 HydrophobicContact CD1-CD1 4.2Å
302	A	98.6	Very high	98.5	Very high	63 Å²	63	44.1 Å²	44.1	52%	0.521	25%	0.249	S	C	.	.			trans	-61.4	152.7	179	0	0	0	0	0	111.5	H134	H134-A302 PolarHBondContact NE2-O 2.66Å
303	W	98.7	Very high	98.4	Very high	91 Å²	91	46.2 Å²	46.2	35%	0.345	26%	0.26	S	S	.	.			trans	-67.2	135.6	174.8	172.2	-96.4	0	0	0	111.1	R289 L292 K293 L296 V307 L308	R289-W303 HydrophobicContact CG-CH2 4.21Å; R289-W303 HydrophobicContact CG-CZ2 4.48Å; L292-W303 HydrophobicContact CB-CZ3 3.96Å; K293-W303 HydrophobicContact CB-CE3 4.49Å; K293-W303 HydrophobicContact CG-CD2 4.29Å; K293-W303 HydrophobicContact CG-CE3 3.58Å; K293-W303 HydrophobicContact CG-CH2 4.4Å; K293-W303 HydrophobicContact CG-CZ3 3.65Å; L296-W303 HydrophobicContact CD1-CE3 3.85Å; L296-W303 HydrophobicContact CD1-CZ3 4.29Å; W303-V307 HydrophobicContact CH2-CG2 3.78Å; W303-V307 HydrophobicContact CZ2-CG2 4.44Å; W303-V307 HydrophobicContact CZ3-CG2 3.9Å; W303-L308 HydrophobicContact CH2-CD1 3.93Å; W303-L308 HydrophobicContact CH2-CD2 4.37Å; W303-L308 HydrophobicContact CH2-CG 4.01Å; W303-L308 HydrophobicContact CZ2-CD1 3.96Å; W303-L308 HydrophobicContact CZ2-CG 4.34Å
304	S	98.6	Very high	98.3	Very high	26 Å²	26	42 Å²	42	18%	0.182	24%	0.242	C	C	.	.			trans	-130.7	135.3	165.1	176.3	0	0	0	0	109	H134 A306 V307	H134-S304 VanDerWaalsContact CD2-CB 3.43Å; H134-S304 WeakPolarHBondContact CD2-CB 3.16Å; H134-S304 WeakPolarHBondContact NE2-CB 3.28Å; S304-A306 PolarHBondContact O-N 3.02Å; S304-A306 PolarHBondContact OG-N 2.85Å; S304-V307 WeakPolarHBondContact O-CG2 3.49Å
305	D	98.5	Very high	98	Very high	70 Å²	70	39.3 Å²	39.3	37%	0.374	24%	0.241	S	C	.	.	G	3₁₀ helix	trans	-70.2	-21.3	-179.9	-157.4	71.7	0	0	0	112.5	R289 V307 L308 H309	R289-D305 IonicContact CZ-OD1 3.41Å; R289-D305 IonicContact NH1-OD1 3.72Å; R289-D305 PolarHBondContact NH1-OD1 2.82Å; D305-V307 PolarHBondContact O-N 3.22Å; D305-L308 WeakPolarHBondContact O-CB 3.39Å; D305-L308 PolarHBondContact O-N 3.05Å; D305-H309 IonicContact OD2-CD2 2.86Å; D305-H309 IonicContact OD2-NE2 3.96Å
306	A	98.6	Very high	97.7	Very high	28 Å²	28	44.6 Å²	44.6	23%	0.231	26%	0.264	C	S	.	.	G	3₁₀ helix	trans	-55.2	-27.5	178.7	0	0	0	0	0	113.6	A133 S304 L308 H309 L313	A133-A306 WeakPolarHBondContact CB-O 3.15Å; A133-A306 WeakPolarHBondContact O-CB 3.38Å; S304-A306 PolarHBondContact O-N 3.02Å; S304-A306 PolarHBondContact OG-N 2.85Å; A306-L308 PolarHBondContact O-N 3.35Å; A306-L308 VanDerWaalsContact O-N 3.15Å; A306-H309 CarbonylContact O-C 3.58Å; A306-H309 WeakPolarHBondContact O-CA 3.49Å; A306-H309 PolarHBondContact O-N 2.98Å; A306-L313 HydrophobicContact CB-CD1 4.06Å
307	V	98.7	Very high	97.5	Very high	0 Å²	0	50.9 Å²	50.9	0%	0	31%	0.305	C	S	.	.	G	3₁₀ helix	trans	-63.4	-18.7	177.9	-54.2	0	0	0	0	113.7	M130 H134 L292 L296 W303 S304 D305	M130-V307 WeakPolarHBondContact CE-O 3.33Å; M130-V307 WeakPolarHBondContact O-CB 3.2Å; M130-V307 WeakPolarHBondContact O-CG1 3.43Å; H134-V307 HydrophobicContact CB-CG1 3.91Å; L292-V307 HydrophobicContact CB-CG2 4.11Å; L292-V307 HydrophobicContact CD1-CB 3.45Å; L292-V307 VanDerWaalsContact CD1-CB 3.45Å; L292-V307 HydrophobicContact CD1-CG1 4.46Å; L292-V307 HydrophobicContact CD1-CG2 3.42Å; L292-V307 VanDerWaalsContact CD1-CG2 3.42Å; L292-V307 HydrophobicContact CG-CG2 4.36Å; L296-V307 HydrophobicContact CD1-CG1 4.31Å; W303-V307 HydrophobicContact CH2-CG2 3.78Å; W303-V307 HydrophobicContact CZ2-CG2 4.44Å; W303-V307 HydrophobicContact CZ3-CG2 3.9Å; S304-V307 WeakPolarHBondContact O-CG2 3.49Å; D305-V307 PolarHBondContact O-N 3.22Å
308	L	98.6	Very high	97.3	Very high	7 Å²	7	47.5 Å²	47.5	4%	0.037	30%	0.301	C	S	.	.	G	3₁₀ helix	trans	-89.4	-6.3	174.2	-60.1	178.8	0	0	0	113.3	M130 P288 R289 W303 D305 A306	M130-L308 HydrophobicContact CE-CD2 4.48Å; P288-L308 HydrophobicContact CB-CD2 3.91Å; P288-L308 HydrophobicContact CG-CD2 4.44Å; R289-L308 HydrophobicContact CB-CD1 4.02Å; R289-L308 HydrophobicContact CB-CD2 4.33Å; R289-L308 HydrophobicContact CG-CD1 4.09Å; W303-L308 HydrophobicContact CH2-CD1 3.93Å; W303-L308 HydrophobicContact CH2-CD2 4.37Å; W303-L308 HydrophobicContact CH2-CG 4.01Å; W303-L308 HydrophobicContact CZ2-CD1 3.96Å; W303-L308 HydrophobicContact CZ2-CG 4.34Å; D305-L308 WeakPolarHBondContact O-CB 3.39Å; D305-L308 PolarHBondContact O-N 3.05Å; A306-L308 PolarHBondContact O-N 3.35Å; A306-L308 VanDerWaalsContact O-N 3.15Å
309	H	98	Very high	97.1	Very high	63 Å²	63	46.6 Å²	46.6	29%	0.292	30%	0.3	S	S	.	.			trans	-128	37.4	-171.7	-63.7	-68.3	0	0	0	111.6	D305 A306 E311 D312	D305-H309 IonicContact OD2-CD2 2.86Å; D305-H309 IonicContact OD2-NE2 3.96Å; A306-H309 CarbonylContact O-C 3.58Å; A306-H309 WeakPolarHBondContact O-CA 3.49Å; A306-H309 PolarHBondContact O-N 2.98Å; H309-E311 VanDerWaalsContact CA-OE2 3.32Å; H309-E311 WeakPolarHBondContact CA-OE2 3.4Å; H309-E311 PolarHBondContact O-N 3.46Å; H309-D312 PolarHBondContact O-N 2.61Å; H309-D312 VanDerWaalsContact O-N 3.1Å
310	H	98.3	Very high	97.1	Very high	0 Å²	0	45.7 Å²	45.7	0%	0	30%	0.295	C	S	.	.	G	3₁₀ helix	trans	-59	-30.3	-176.3	73.2	82.7	0	0	0	112.8	A133 D312 L313 I314 V320 V332 K334	A133-H310 HydrophobicContact CB-CB 3.91Å; H310-D312 PolarHBondContact O-N 2.92Å; H310-L313 PolarHBondContact O-N 3.29Å; H310-L313 VanDerWaalsContact O-N 3.16Å; H310-I314 WeakPolarHBondContact O-CG1 3.2Å; H310-V320 HydrophobicContact CB-CG2 4.26Å; H310-V332 PolarHBondContact CE1-O 2.92Å; H310-V332 PolarHBondContact ND1-O 2.89Å; H310-K334 PolarHBondContact CE1-O 3.01Å
311	E	97	Very high	97	Very high	19 Å²	19	45.3 Å²	45.3	9%	0.089	28%	0.282	C	S	.	.	G	3₁₀ helix	trans	-64	-29.9	179.6	75.9	-78.5	-164.6	0	0	112.6	H309 L313 P335 R390	H309-E311 VanDerWaalsContact CA-OE2 3.32Å; H309-E311 WeakPolarHBondContact CA-OE2 3.4Å; H309-E311 PolarHBondContact O-N 3.46Å; E311-L313 VanDerWaalsContact C-N 3.28Å; E311-L313 PolarHBondContact O-N 3.18Å; E311-P335 HydrophobicContact CG-CB 4.15Å; E311-R390 IonicContact OE1-NH1 3.29Å
312	D	96.4	Very high	96.9	Very high	76 Å²	76	45.2 Å²	45.2	41%	0.406	28%	0.282	S	S	.	.	G	3₁₀ helix	trans	-80.6	-11.7	179.4	-71.1	-35.8	0	0	0	112.5	H309 H310 K316	H309-D312 PolarHBondContact O-N 2.61Å; H309-D312 VanDerWaalsContact O-N 3.1Å; H310-D312 PolarHBondContact O-N 2.92Å; D312-K316 WeakPolarHBondContact O-CD 3.35Å; D312-K316 WeakPolarHBondContact O-CE 3.34Å; D312-K316 PolarHBondContact O-NZ 3.03Å
313	L	96.6	Very high	96.8	Very high	44 Å²	44	43.6 Å²	43.6	23%	0.23	27%	0.267	C	S	.	.	G	3₁₀ helix	trans	-108.3	7.1	-175.4	-64	-178.5	0	0	0	113.9	A133 A306 H310 E311 G315 K316 V320	A133-L313 HydrophobicContact CB-CD1 3.87Å; A133-L313 WeakPolarHBondContact O-CD1 3.17Å; A306-L313 HydrophobicContact CB-CD1 4.06Å; H310-L313 PolarHBondContact O-N 3.29Å; H310-L313 VanDerWaalsContact O-N 3.16Å; E311-L313 VanDerWaalsContact C-N 3.28Å; E311-L313 PolarHBondContact O-N 3.18Å; L313-G315 PolarHBondContact O-N 3.47Å; L313-K316 HydrophobicContact CD2-CD 4.11Å; L313-K316 PolarHBondContact O-N 2.9Å; L313-V320 HydrophobicContact CB-CG2 4.38Å; L313-V320 PolarHBondContact O-N 3.08Å
314	I	96.2	Very high	96.5	Very high	18 Å²	18	45.1 Å²	45.1	9%	0.092	28%	0.276	C	S	.	.	B	Isolated β-bridge	trans	-69.5	125.5	-178.8	-57.1	172.3	0	0	0	111.2	H310 K316 V320 L322 I333 P399	H310-I314 WeakPolarHBondContact O-CG1 3.2Å; I314-K316 PolarHBondContact O-N 2.74Å; I314-V320 WeakPolarHBondContact CA-O 3.32Å; I314-V320 HydrophobicContact CG1-CB 4.17Å; I314-L322 HydrophobicContact CD1-CD1 4.06Å; I314-L322 HydrophobicContact CG1-CD1 4.38Å; I314-L322 HydrophobicContact CG2-CD1 3.66Å; I314-L322 HydrophobicContact CG2-CG 3.99Å; I314-I333 VanDerWaalsContact CD1-CA 3.48Å; I314-I333 HydrophobicContact CD1-CB 4.09Å; I314-I333 HydrophobicContact CD1-CG2 3.96Å; I314-P399 HydrophobicContact CB-CG 3.95Å; I314-P399 HydrophobicContact CG2-CB 4.18Å; I314-P399 HydrophobicContact CG2-CG 3.43Å; I314-P399 VanDerWaalsContact CG2-CG 3.43Å
315	G	93.1	Very high	96.2	Very high	53 Å²	53	49.3 Å²	49.3	55%	0.546	30%	0.295	S	S	.	.	T	Hydrogen-bonded Turn	trans	71.1	9.9	-179.6	0	0	0	0	0	114.6	L313 V320	L313-G315 PolarHBondContact O-N 3.47Å; G315-V320 PolarHBondContact N-O 2.96Å
316	K	94.1	Very high	95.9	Very high	117 Å²	117	47.1 Å²	47.1	51%	0.509	28%	0.283	S	S	.	.	S	Bend	trans	-89.8	151.9	175.1	-66	-170.7	-179.5	165.2	0	111.1	D312 L313 I314 G318 G319	D312-K316 WeakPolarHBondContact O-CD 3.35Å; D312-K316 WeakPolarHBondContact O-CE 3.34Å; D312-K316 PolarHBondContact O-NZ 3.03Å; L313-K316 HydrophobicContact CD2-CD 4.11Å; L313-K316 PolarHBondContact O-N 2.9Å; I314-K316 PolarHBondContact O-N 2.74Å; K316-G318 PolarHBondContact O-N 3.38Å; K316-G319 PolarHBondContact O-N 2.83Å
317	P	93.8	Very high	95.7	Very high	135 Å²	135	51 Å²	51	88%	0.877	29%	0.291	S	S	*	.	T	Hydrogen-bonded Turn	trans	-55.2	132.1	171.6	-24.1	34.2	0	0	0	111.3	G319	P317-G319 PolarHBondContact O-N 2.64Å
318	G	93.7	Very high	95.6	Very high	58 Å²	58	52 Å²	52	60%	0.598	30%	0.298	S	S	*	.	T	Hydrogen-bonded Turn	trans	64.8	16.4	-176.1	0	0	0	0	0	114.8	K316	K316-G318 PolarHBondContact O-N 3.38Å
319	G	96.3	Very high	95.4	Very high	12 Å²	12	51.7 Å²	51.7	12%	0.124	30%	0.296	C	S	.	.	S	Bend	trans	-115.5	-149.7	178.1	0	0	0	0	0	113.1	K316 P317 S321	K316-G319 PolarHBondContact O-N 2.83Å; P317-G319 PolarHBondContact O-N 2.64Å; G319-S321 PolarHBondContact O-N 3Å
320	V	98	Very high	95.2	Very high	0 Å²	0	51.2 Å²	51.2	0%	0	30%	0.296	C	S	.	.	B	Isolated β-bridge	trans	-89.3	109.7	-169.7	-170.7	0	0	0	0	111.5	A129 D132 A133 H310 L313 I314 G315 L322	A129-V320 HydrophobicContact CB-CG1 3.76Å; A129-V320 VanDerWaalsContact O-CG2 3.31Å; A129-V320 WeakPolarHBondContact O-CG2 3.08Å; D132-V320 HydrophobicContact CB-CB 4.26Å; D132-V320 HydrophobicContact CB-CG1 4.29Å; D132-V320 HydrophobicContact CB-CG2 3.91Å; A133-V320 HydrophobicContact CB-CG2 4.29Å; H310-V320 HydrophobicContact CB-CG2 4.26Å; L313-V320 HydrophobicContact CB-CG2 4.38Å; L313-V320 PolarHBondContact O-N 3.08Å; I314-V320 WeakPolarHBondContact CA-O 3.32Å; I314-V320 HydrophobicContact CG1-CB 4.17Å; G315-V320 PolarHBondContact N-O 2.96Å; V320-L322 HydrophobicContact CG1-CD2 3.69Å; V320-L322 HydrophobicContact CG1-CG 4.16Å
321	S	97.4	Very high	95	Very high	58 Å²	58	53.5 Å²	53.5	41%	0.406	31%	0.307	S	S	.	.			trans	-84.3	133.3	168.5	-164.8	0	0	0	0	111.5	R128 E141 G319	R128-S321 PolarHBondContact NH1-O 3.19Å; R128-S321 PolarHBondContact NH2-O 3.24Å; R128-S321 VanDerWaalsContact NH2-O 3.1Å; E141-S321 VanDerWaalsContact OE1-CB 3.28Å; E141-S321 WeakPolarHBondContact OE1-CB 3.29Å; E141-S321 PolarHBondContact OE1-OG 3.32Å; G319-S321 PolarHBondContact O-N 3Å
322	L	96.8	Very high	95	Very high	11 Å²	11	53 Å²	53	6%	0.058	31%	0.305	C	S	.	.			trans	-128	129.5	-178.7	-60	-176.8	0	0	0	111.2	I314 V320 T329 V332 I333 L402	I314-L322 HydrophobicContact CD1-CD1 4.06Å; I314-L322 HydrophobicContact CG1-CD1 4.38Å; I314-L322 HydrophobicContact CG2-CD1 3.66Å; I314-L322 HydrophobicContact CG2-CG 3.99Å; V320-L322 HydrophobicContact CG1-CD2 3.69Å; V320-L322 HydrophobicContact CG1-CG 4.16Å; L322-T329 HydrophobicContact CB-CG2 3.99Å; L322-T329 HydrophobicContact CD1-CG2 3.98Å; L322-V332 HydrophobicContact CD1-CG1 4.49Å; L322-V332 HydrophobicContact CD2-CG1 4.06Å; L322-I333 HydrophobicContact CD1-CG2 3.8Å; L322-L402 HydrophobicContact CD1-CD1 4.39Å
323	S	95.4	Very high	95	Very high	30 Å²	30	49.6 Å²	49.6	21%	0.21	29%	0.287	C	S	.	.			trans	-71.5	128.3	166.8	173.2	0	0	0	0	110.9	I325 E326 T329	S323-I325 PolarHBondContact O-N 3.02Å; S323-I325 WeakPolarHBondContact OG-CG1 3.37Å; S323-I325 PolarHBondContact OG-N 3.03Å; S323-E326 PolarHBondContact O-N 3.1Å; S323-T329 PolarHBondContact O-OG1 3.49Å
324	K	92.2	Very high	95	Very high	123 Å²	123	49.3 Å²	49.3	54%	0.535	28%	0.284	S	S	.	.	T	Hydrogen-bonded Turn	trans	-63.5	-21.4	176	67	-167.8	176	-167.8	0	114.1	L402 Y405	K324-L402 HydrophobicContact CB-CD2 3.62Å; K324-Y405 HydrophobicContact CB-CG 4.45Å; K324-Y405 WeakPolarHBondContact O-CD1 3.38Å; K324-Y405 WeakPolarHBondContact O-CE1 3.48Å
325	I	92.3	Very high	95.1	Very high	114 Å²	114	48.5 Å²	48.5	59%	0.585	28%	0.28	S	S	*	.	T	Hydrogen-bonded Turn	trans	-99.9	-5.4	-178	59.6	170.4	0	0	0	113.4	S323 Y405	S323-I325 PolarHBondContact O-N 3.02Å; S323-I325 WeakPolarHBondContact OG-CG1 3.37Å; S323-I325 PolarHBondContact OG-N 3.03Å; I325-Y405 HydrophobicContact CG2-CE2 4.4Å
326	E	93.1	Very high	95.4	Very high	24 Å²	24	46.2 Å²	46.2	11%	0.112	26%	0.255	C	S	.	.	S	Bend	trans	-70	134.8	172.2	-89.2	-175.2	-136.7	0	0	111.1	E141 E142 K201 S323 S328 T329	E141-E326 WeakPolarHBondContact CB-OE1 3.3Å; E142-E326 PolarHBondContact N-OE1 2.97Å; K201-E326 IonicContact NZ-OE2 3.72Å; K201-E326 PolarHBondContact NZ-OE2 3.49Å; S323-E326 PolarHBondContact O-N 3.1Å; E326-S328 PolarHBondContact O-N 3.33Å; E326-S328 VanDerWaalsContact O-N 3.09Å; E326-T329 WeakPolarHBondContact O-CB 3.39Å; E326-T329 PolarHBondContact O-N 3.06Å; E326-T329 PolarHBondContact O-OG1 2.91Å; E326-T329 VanDerWaalsContact O-OG1 3.11Å
327	R	93.4	Very high	95.6	Very high	109 Å²	109	41.7 Å²	41.7	41%	0.411	24%	0.236	S	C	.	.	T	Hydrogen-bonded Turn	trans	-71.4	-7.2	-172.7	-53.1	-55.2	-54.9	-72.2	-1.4	114.6	R238 K239 V240 Q331	R238-R327 VanDerWaalsContact O-CZ 3.31Å; R238-R327 PolarHBondContact O-NH1 2.85Å; R238-R327 PolarHBondContact O-NH2 3.26Å; K239-R327 PolarHBondContact O-NH1 3.41Å; V240-R327 HydrophobicContact CG1-CG 4.31Å; V240-R327 HydrophobicContact CG2-CB 3.92Å; V240-R327 HydrophobicContact CG2-CG 4.11Å; R327-Q331 PolarHBondContact O-NE2 3.09Å; R327-Q331 VanDerWaalsContact O-NE2 3.14Å; R327-Q331 PolarHBondContact O-OE1 2.9Å
328	S	95.9	Very high	95.8	Very high	21 Å²	21	37.2 Å²	37.2	15%	0.147	21%	0.205	C	C	.	.	T	Hydrogen-bonded Turn	trans	-102.1	-3.6	178.7	-65.9	0	0	0	0	113.2	R121 T125 E326 Q331 V332	R121-S328 PolarHBondContact NH1-OG 2.7Å; T125-S328 WeakPolarHBondContact OG1-CB 3.28Å; T125-S328 PolarHBondContact OG1-OG 2.98Å; E326-S328 PolarHBondContact O-N 3.33Å; E326-S328 VanDerWaalsContact O-N 3.09Å; S328-Q331 PolarHBondContact O-N 3.21Å; S328-Q331 PolarHBondContact O-OE1 2.88Å; S328-V332 WeakPolarHBondContact O-CG2 3.41Å; S328-V332 PolarHBondContact O-N 2.83Å; S328-V332 VanDerWaalsContact O-N 3.09Å
329	T	95.3	Very high	96	Very high	0 Å²	0	38.8 Å²	38.8	0%	0	20%	0.196	C	C	.	.	H	α-helix	trans	-67	-39.6	-172.7	-58.9	0	0	0	0	112.1	L322 S323 E326 Q331 V332 I333 L402 F406	L322-T329 HydrophobicContact CB-CG2 3.99Å; L322-T329 HydrophobicContact CD1-CG2 3.98Å; S323-T329 PolarHBondContact O-OG1 3.49Å; E326-T329 WeakPolarHBondContact O-CB 3.39Å; E326-T329 PolarHBondContact O-N 3.06Å; E326-T329 PolarHBondContact O-OG1 2.91Å; E326-T329 VanDerWaalsContact O-OG1 3.11Å; T329-Q331 PolarHBondContact O-N 3.19Å; T329-V332 PolarHBondContact O-N 3.33Å; T329-I333 WeakPolarHBondContact O-CG2 3.34Å; T329-I333 PolarHBondContact O-N 3.38Å; T329-L402 HydrophobicContact CG2-CD1 3.68Å; T329-L402 HydrophobicContact CG2-CD2 4.34Å; T329-F406 HydrophobicContact CG2-CZ 3.88Å
330	D	92.9	Very high	96	Very high	54 Å²	54	39.1 Å²	39.1	29%	0.289	20%	0.198	S	C	.	.	H	α-helix	trans	-63.7	-24.6	178.4	68.9	58.9	0	0	0	114	R238 I333 F406	R238-D330 IonicContact CZ-OD1 3.4Å; R238-D330 IonicContact CZ-OD2 2.74Å; R238-D330 VanDerWaalsContact NH1-CG 3.33Å; R238-D330 IonicContact NH1-OD1 3.82Å; R238-D330 PolarHBondContact NH1-OD1 3.08Å; R238-D330 IonicContact NH1-OD2 3.66Å; R238-D330 PolarHBondContact NH1-OD2 3.25Å; R238-D330 IonicContact NH2-OD1 3.27Å; R238-D330 PolarHBondContact NH2-OD1 2.87Å; R238-D330 IonicContact NH2-OD2 2.91Å; D330-I333 VanDerWaalsContact O-CG1 3.31Å; D330-I333 WeakPolarHBondContact O-CG1 3.17Å; D330-F406 HydrophobicContact CB-CD1 4.11Å; D330-F406 HydrophobicContact CB-CE1 3.57Å; D330-F406 HydrophobicContact CB-CZ 3.98Å
331	Q	95.6	Very high	96	Very high	48 Å²	48	39.9 Å²	39.9	22%	0.224	20%	0.202	C	C	.	.	H	α-helix	trans	-89	-39.4	179.7	-54.4	90.3	-35.7	0	0	111.4	R327 S328 T329 I333 K334	R327-Q331 PolarHBondContact O-NE2 3.09Å; R327-Q331 VanDerWaalsContact O-NE2 3.14Å; R327-Q331 PolarHBondContact O-OE1 2.9Å; S328-Q331 PolarHBondContact O-N 3.21Å; S328-Q331 PolarHBondContact O-OE1 2.88Å; T329-Q331 PolarHBondContact O-N 3.19Å; Q331-I333 VanDerWaalsContact C-N 3.29Å; Q331-I333 PolarHBondContact O-N 2.9Å; Q331-K334 WeakPolarHBondContact O-CB 3.47Å; Q331-K334 PolarHBondContact O-N 2.95Å
332	V	96.4	Very high	96	Very high	7 Å²	7	39.3 Å²	39.3	4%	0.042	20%	0.198	C	C	.	.	H	α-helix	trans	-79	-12.6	-173.5	172	0	0	0	0	112.6	T125 A129 H310 L322 S328 T329 K334	T125-V332 HydrophobicContact CG2-CB 4.49Å; T125-V332 HydrophobicContact CG2-CG2 3.87Å; A129-V332 HydrophobicContact CB-CG1 3.51Å; H310-V332 PolarHBondContact CE1-O 2.92Å; H310-V332 PolarHBondContact ND1-O 2.89Å; L322-V332 HydrophobicContact CD1-CG1 4.49Å; L322-V332 HydrophobicContact CD2-CG1 4.06Å; S328-V332 WeakPolarHBondContact O-CG2 3.41Å; S328-V332 PolarHBondContact O-N 2.83Å; S328-V332 VanDerWaalsContact O-N 3.09Å; T329-V332 PolarHBondContact O-N 3.33Å; V332-K334 PolarHBondContact O-N 2.85Å
333	I	96.1	Very high	95.9	Very high	6 Å²	6	42.3 Å²	42.3	3%	0.031	21%	0.211	C	C	.	.	T	Hydrogen-bonded Turn	trans	-70.9	-14	168.8	59.7	167.4	0	0	0	113.9	I314 L322 T329 D330 Q331 Y396 T398 P399 L402 F406	I314-I333 VanDerWaalsContact CD1-CA 3.48Å; I314-I333 HydrophobicContact CD1-CB 4.09Å; I314-I333 HydrophobicContact CD1-CG2 3.96Å; L322-I333 HydrophobicContact CD1-CG2 3.8Å; T329-I333 WeakPolarHBondContact O-CG2 3.34Å; T329-I333 PolarHBondContact O-N 3.38Å; D330-I333 VanDerWaalsContact O-CG1 3.31Å; D330-I333 WeakPolarHBondContact O-CG1 3.17Å; Q331-I333 VanDerWaalsContact C-N 3.29Å; Q331-I333 PolarHBondContact O-N 2.9Å; I333-Y396 HydrophobicContact CD1-CD2 4.4Å; I333-Y396 HydrophobicContact CD1-CE2 4.26Å; I333-T398 HydrophobicContact CD1-CG2 4.42Å; I333-P399 HydrophobicContact CG2-CG 4.13Å; I333-L402 HydrophobicContact CG2-CD1 3.89Å; I333-F406 HydrophobicContact CD1-CE2 4.2Å
334	K	97.4	Very high	96.1	Very high	38 Å²	38	40.9 Å²	40.9	17%	0.165	20%	0.201	C	C	.	.	S	Bend	trans	-93.6	151.5	177.9	-60.3	172.6	169.3	-165.4	0	109.6	H310 Q331 V332 E339 V391 Y396	H310-K334 PolarHBondContact CE1-O 3.01Å; Q331-K334 WeakPolarHBondContact O-CB 3.47Å; Q331-K334 PolarHBondContact O-N 2.95Å; V332-K334 PolarHBondContact O-N 2.85Å; K334-E339 IonicContact NZ-OE1 2.71Å; K334-E339 PolarHBondContact NZ-OE1 3.47Å; K334-V391 HydrophobicContact CB-CG2 4.04Å; K334-V391 HydrophobicContact CD-CG1 3.77Å; K334-V391 HydrophobicContact CD-CG2 4.46Å; K334-V391 HydrophobicContact CG-CG1 4.44Å; K334-V391 HydrophobicContact CG-CG2 4.43Å; K334-Y396 HydrophobicContact CG-CD1 4.3Å; K334-Y396 HydrophobicContact CG-CD2 4.01Å; K334-Y396 HydrophobicContact CG-CE1 4.47Å; K334-Y396 HydrophobicContact CG-CE2 4.21Å; K334-Y396 HydrophobicContact CG-CG 4.06Å
335	P	98.1	Very high	96.3	Very high	1 Å²	1	37.2 Å²	37.2	1%	0.006	19%	0.189	C	C	.	.	P	Polyproline II helix	trans	-59.6	161.6	168.4	28	-36.2	0	0	0	111.1	E311 N337 N387 V391	E311-P335 HydrophobicContact CG-CB 4.15Å; P335-N337 PolarHBondContact O-N 2.98Å; P335-N337 PolarHBondContact O-ND2 3.32Å; P335-N387 HydrophobicContact CB-CB 4Å; P335-N387 HydrophobicContact CG-CB 4.05Å; P335-V391 HydrophobicContact CG-CG2 3.73Å
336	V	98.4	Very high	96.6	Very high	4 Å²	4	35.4 Å²	35.4	2%	0.024	20%	0.198	C	C	.	.	S	Bend	trans	-51	123	172.2	-177.9	0	0	0	0	109.9	L126 M130 V285 V384 N387	L126-V336 HydrophobicContact CD1-CG2 4.22Å; M130-V336 HydrophobicContact CE-CG2 3.93Å; M130-V336 HydrophobicContact SD-CG2 4.16Å; V285-V336 HydrophobicContact CB-CG1 4.33Å; V285-V336 HydrophobicContact CG1-CG1 4.26Å; V285-V336 HydrophobicContact CG2-CG1 4.34Å; V336-V384 HydrophobicContact CG1-CG1 4.31Å; V336-N387 WeakPolarHBondContact O-CB 3.49Å; V336-N387 PolarHBondContact O-ND2 3.42Å
337	N	98.6	Very high	96.8	Very high	22 Å²	22	39.5 Å²	39.5	12%	0.118	22%	0.217	C	C	.	.			trans	-147.1	166.3	-172.4	67.5	78.2	0	0	0	112.5	V285 P335 E339 T388 V391	V285-N337 WeakPolarHBondContact CG1-O 3.46Å; P335-N337 PolarHBondContact O-N 2.98Å; P335-N337 PolarHBondContact O-ND2 3.32Å; N337-E339 PolarHBondContact OD1-N 3.15Å; N337-T388 WeakPolarHBondContact CA-OG1 3.47Å; N337-V391 HydrophobicContact CB-CG2 4.38Å
338	L	98.3	Very high	97.1	Very high	41 Å²	41	35.1 Å²	35.1	22%	0.215	20%	0.201	C	C	.	.	S	Bend	trans	-91.1	-9.5	-169	-57.1	171.9	0	0	0	115.1	V285 L286 A340 L341 P380 V384 V385 T388	V285-L338 HydrophobicContact CG1-CD2 4.06Å; L286-L338 HydrophobicContact CD2-CD2 3.88Å; L338-A340 PolarHBondContact O-N 2.98Å; L338-L341 HydrophobicContact CB-CD1 4.37Å; L338-L341 HydrophobicContact CD2-CD1 3.68Å; L338-L341 PolarHBondContact O-N 3.48Å; L338-P380 HydrophobicContact CD1-CB 3.85Å; L338-P380 HydrophobicContact CD1-CG 3.76Å; L338-P380 HydrophobicContact CD2-CB 3.77Å; L338-P380 HydrophobicContact CD2-CG 4.45Å; L338-P380 HydrophobicContact CG-CB 4.42Å; L338-V384 HydrophobicContact CD2-CB 4.47Å; L338-V384 HydrophobicContact CD2-CG1 3.59Å; L338-V384 HydrophobicContact CG-CG1 3.85Å; L338-V385 HydrophobicContact CD1-CG2 4.48Å; L338-T388 HydrophobicContact CB-CG2 4.31Å; L338-T388 WeakPolarHBondContact CG-OG1 3.39Å; L338-T388 PolarHBondContact N-OG1 3.49Å
339	E	97.1	Very high	97.2	Very high	91 Å²	91	36.7 Å²	36.7	43%	0.425	21%	0.211	S	C	.	.	T	Hydrogen-bonded Turn	trans	-55	-29.9	-168.7	-64.3	-173.5	-102.1	0	0	113.3	K334 N337 V391	K334-E339 IonicContact NZ-OE1 2.71Å; K334-E339 PolarHBondContact NZ-OE1 3.47Å; N337-E339 PolarHBondContact OD1-N 3.15Å; E339-V391 WeakPolarHBondContact OE1-CG1 3.4Å
340	A	97.3	Very high	97.4	Very high	19 Å²	19	39.5 Å²	39.5	16%	0.157	24%	0.24	C	C	.	.	T	Hydrogen-bonded Turn	trans	-98.8	-3.4	-170.1	0	0	0	0	0	115	R226 L338	R226-A340 PolarHBondContact NH2-O 2.93Å; L338-A340 PolarHBondContact O-N 2.98Å
341	L	97.4	Very high	97.6	Very high	16 Å²	16	40 Å²	40	8%	0.084	24%	0.243	C	C	.	.	S	Bend	trans	-61	-57.9	-174.9	-69.8	175.2	0	0	0	112.1	Y281 E282 V285 L286 L338	Y281-L341 HydrophobicContact CE1-CD2 4.1Å; E282-L341 HydrophobicContact CB-CD2 4.1Å; E282-L341 HydrophobicContact CG-CD2 4.05Å; V285-L341 HydrophobicContact CB-CD2 4.1Å; V285-L341 HydrophobicContact CG1-CD1 4.34Å; V285-L341 HydrophobicContact CG1-CD2 3.95Å; V285-L341 HydrophobicContact CG1-CG 4.21Å; L286-L341 HydrophobicContact CD2-CD1 3.7Å; L286-L341 HydrophobicContact CG-CD1 4.16Å; L338-L341 HydrophobicContact CB-CD1 4.37Å; L338-L341 HydrophobicContact CD2-CD1 3.68Å; L338-L341 PolarHBondContact O-N 3.48Å
342	S	97.2	Very high	97.8	Very high	46 Å²	46	38 Å²	38	32%	0.322	23%	0.233	S	C	.	.	S	Bend	trans	-118	12.3	-169.1	-52.9	0	0	0	0	114.5	W344 T345	S342-W344 PolarHBondContact O-N 3.46Å; S342-T345 WeakPolarHBondContact O-CB 3.44Å; S342-T345 PolarHBondContact O-N 3.15Å; S342-T345 VanDerWaalsContact O-N 3.07Å; S342-T345 PolarHBondContact O-OG1 2.73Å; S342-T345 VanDerWaalsContact O-OG1 3.1Å
343	K	95.8	Very high	97.9	Very high	75 Å²	75	39.6 Å²	39.6	33%	0.326	24%	0.244	S	C	.	.	T	Hydrogen-bonded Turn	trans	-61.1	-7.2	-178.5	68.7	171.3	-177.4	175.7	0	115.5	H233 H347	H233-K343 PolarHBondContact NE2-O 3.48Å; K343-H347 PolarHBondContact O-CD2 2.93Å
344	W	98.4	Very high	98	Very high	0 Å²	0	47.2 Å²	47.2	0%	0	27%	0.272	C	S	.	.	T	Hydrogen-bonded Turn	trans	-85.1	-21.4	178.7	65.1	-93.7	0	0	0	112.4	R229 A230 H233 S342 G346 H347 I348 N373 P374 Y377	R229-W344 HydrophobicContact CB-CD2 3.71Å; R229-W344 HydrophobicContact CB-CE3 3.63Å; R229-W344 HydrophobicContact CB-CG 4.35Å; R229-W344 HydrophobicContact CB-CH2 4.07Å; R229-W344 HydrophobicContact CB-CZ2 4.13Å; R229-W344 HydrophobicContact CB-CZ3 3.84Å; R229-W344 VanDerWaalsContact CD-CH2 3.44Å; R229-W344 HydrophobicContact CG-CE3 4.44Å; R229-W344 HydrophobicContact CG-CH2 4.35Å; R229-W344 HydrophobicContact CG-CZ3 4.2Å; A230-W344 VanDerWaalsContact CB-CD1 3.48Å; A230-W344 HydrophobicContact CB-CG 4.19Å; H233-W344 HydrophobicContact CB-CB 3.59Å; S342-W344 PolarHBondContact O-N 3.46Å; W344-G346 PolarHBondContact O-N 3.45Å; W344-H347 PolarHBondContact O-N 3.5Å; W344-H347 VanDerWaalsContact O-N 3.13Å; W344-I348 HydrophobicContact CE3-CD1 3.63Å; W344-I348 HydrophobicContact CE3-CG1 4.2Å; W344-I348 HydrophobicContact CZ3-CD1 3.92Å; W344-N373 WeakPolarHBondContact CZ3-OD1 3.45Å; W344-P374 HydrophobicContact CH2-CB 4.43Å; W344-P374 HydrophobicContact CZ2-CB 3.77Å; W344-Y377 PolarHBondContact NE1-OH 3.49Å; W344-Y377 VanDerWaalsContact NE1-OH 3.12Å
345	T	98	Very high	98.1	Very high	45 Å²	45	47.2 Å²	47.2	28%	0.276	27%	0.274	S	S	.	.	T	Hydrogen-bonded Turn	trans	-59	132.2	-177.6	-55.2	0	0	0	0	110.3	S342 H347 N373 P374	S342-T345 WeakPolarHBondContact O-CB 3.44Å; S342-T345 PolarHBondContact O-N 3.15Å; S342-T345 VanDerWaalsContact O-N 3.07Å; S342-T345 PolarHBondContact O-OG1 2.73Å; S342-T345 VanDerWaalsContact O-OG1 3.1Å; T345-H347 VanDerWaalsContact C-N 3.3Å; T345-H347 PolarHBondContact O-CD2 3.43Å; T345-H347 PolarHBondContact O-N 2.95Å; T345-N373 WeakPolarHBondContact CG2-O 3.36Å; T345-P374 WeakPolarHBondContact OG1-CB 3.49Å; T345-P374 WeakPolarHBondContact OG1-CD 3.37Å
346	G	97.8	Very high	98.1	Very high	76 Å²	76	47.2 Å²	47.2	78%	0.784	27%	0.274	S	S	*	.	T	Hydrogen-bonded Turn	trans	83.2	-4.3	-179.1	0	0	0	0	0	115.2	W344	W344-G346 PolarHBondContact O-N 3.45Å
347	H	98.4	Very high	98.1	Very high	111 Å²	111	48.1 Å²	48.1	51%	0.514	28%	0.282	S	S	.	.			trans	-105.8	-2.2	-179.2	-60.9	-67.4	0	0	0	114.7	H233 Y250 K343 W344 T345	H233-H347 AromaticContact CE1-CD2 3.66Å; H233-H347 AromaticContact CE1-CG 3.6Å; Y250-H347 PolarHBondContact OH-O 3.01Å; K343-H347 PolarHBondContact O-CD2 2.93Å; W344-H347 PolarHBondContact O-N 3.5Å; W344-H347 VanDerWaalsContact O-N 3.13Å; T345-H347 VanDerWaalsContact C-N 3.3Å; T345-H347 PolarHBondContact O-CD2 3.43Å; T345-H347 PolarHBondContact O-N 2.95Å
348	I	98.6	Very high	98.1	Very high	16 Å²	16	53.4 Å²	53.4	8%	0.082	31%	0.306	C	S	.	.	S	Bend	trans	-91.4	131.5	177.8	-58.5	-172.9	0	0	0	108.9	R229 Y250 W344 V352 V353 M356	R229-I348 HydrophobicContact CB-CD1 3.62Å; R229-I348 HydrophobicContact CG-CD1 3.74Å; Y250-I348 HydrophobicContact CD1-CG1 4.04Å; Y250-I348 HydrophobicContact CD1-CG2 4.4Å; Y250-I348 HydrophobicContact CE1-CG1 3.98Å; W344-I348 HydrophobicContact CE3-CD1 3.63Å; W344-I348 HydrophobicContact CE3-CG1 4.2Å; W344-I348 HydrophobicContact CZ3-CD1 3.92Å; I348-V352 HydrophobicContact CG2-CB 3.81Å; I348-V352 HydrophobicContact CG2-CG1 3.65Å; I348-V353 HydrophobicContact CB-CG2 3.86Å; I348-V353 HydrophobicContact CG2-CG2 3.76Å; I348-M356 HydrophobicContact CD1-CE 4.06Å; I348-M356 HydrophobicContact CG2-CE 4.15Å
349	P	98.8	Very high	98.2	Very high	55 Å²	55	52.1 Å²	52.1	36%	0.357	30%	0.299	S	S	.	.			trans	-54.3	141.6	176.5	-27.2	35.6	0	0	0	113	Y250 D351 V352 V353	Y250-P349 HydrophobicContact CD2-CG 4.16Å; P349-D351 VanDerWaalsContact C-N 3.29Å; P349-D351 VanDerWaalsContact CB-OD1 3.3Å; P349-D351 WeakPolarHBondContact CB-OD1 3.48Å; P349-D351 PolarHBondContact O-N 2.85Å; P349-V352 HydrophobicContact CB-CG2 4.21Å; P349-V352 WeakPolarHBondContact O-CB 3.34Å; P349-V352 PolarHBondContact O-N 3.38Å; P349-V353 PolarHBondContact O-N 2.8Å
350	G	98.4	Very high	98.2	Very high	58 Å²	58	47.8 Å²	47.8	60%	0.598	28%	0.279	S	S	*	.	H	α-helix	trans	-61	-32.7	-172.6	0	0	0	0	0	114.6	V352 V353 R354	G350-V352 VanDerWaalsContact C-N 3.33Å; G350-V353 PolarHBondContact O-N 3.04Å; G350-R354 WeakPolarHBondContact O-CB 3.2Å; G350-R354 PolarHBondContact O-N 3.47Å
351	D	98.6	Very high	98.3	Very high	66 Å²	66	49.7 Å²	49.7	35%	0.353	29%	0.289	S	S	.	.	H	α-helix	trans	-66.4	-36.5	174.7	70.9	-64.6	0	0	0	112	R251 P349 D355	R251-D351 IonicContact CZ-OD2 3.76Å; R251-D351 IonicContact NE-OD2 3.47Å; R251-D351 PolarHBondContact NH2-O 3.31Å; R251-D351 IonicContact NH2-OD2 2.77Å; R251-D351 PolarHBondContact NH2-OD2 2.99Å; P349-D351 VanDerWaalsContact C-N 3.29Å; P349-D351 VanDerWaalsContact CB-OD1 3.3Å; P349-D351 WeakPolarHBondContact CB-OD1 3.48Å; P349-D351 PolarHBondContact O-N 2.85Å; D351-D355 PolarHBondContact O-N 3.48Å
352	V	98.8	Very high	98.4	Very high	4 Å²	4	49.1 Å²	49.1	2%	0.024	29%	0.286	C	S	.	.	H	α-helix	trans	-73.1	-38.7	177	179	0	0	0	0	110.8	R251 L254 I348 P349 G350 D355 M356 I359	R251-V352 HydrophobicContact CB-CG2 3.97Å; L254-V352 HydrophobicContact CD1-CG1 3.5Å; L254-V352 VanDerWaalsContact CD1-CG1 3.5Å; I348-V352 HydrophobicContact CG2-CB 3.81Å; I348-V352 HydrophobicContact CG2-CG1 3.65Å; P349-V352 HydrophobicContact CB-CG2 4.21Å; P349-V352 WeakPolarHBondContact O-CB 3.34Å; P349-V352 PolarHBondContact O-N 3.38Å; G350-V352 VanDerWaalsContact C-N 3.33Å; V352-D355 PolarHBondContact O-N 2.85Å; V352-M356 HydrophobicContact CG1-CE 4.27Å; V352-M356 WeakPolarHBondContact O-CA 3.21Å; V352-M356 PolarHBondContact O-N 3.47Å; V352-M356 VanDerWaalsContact O-N 3.1Å; V352-I359 HydrophobicContact CB-CD1 4.44Å; V352-I359 HydrophobicContact CG1-CD1 3.87Å
353	V	98.7	Very high	98.5	Very high	42 Å²	42	46.9 Å²	46.9	26%	0.255	27%	0.271	S	S	.	.	H	α-helix	trans	-59.9	-46.5	173.1	174.5	0	0	0	0	110.6	I348 P349 G350 D355 M356	I348-V353 HydrophobicContact CB-CG2 3.86Å; I348-V353 HydrophobicContact CG2-CG2 3.76Å; P349-V353 PolarHBondContact O-N 2.8Å; G350-V353 PolarHBondContact O-N 3.04Å; V353-D355 VanDerWaalsContact C-N 3.3Å; V353-D355 PolarHBondContact O-N 3.14Å; V353-M356 WeakPolarHBondContact O-CB 3.26Å; V353-M356 PolarHBondContact O-N 3.27Å
354	R	98.6	Very high	98.6	Very high	165 Å²	165	46.2 Å²	46.2	62%	0.623	28%	0.279	S	S	*	.	H	α-helix	trans	-59.9	-40.2	178.7	-177.5	-172.4	61.7	-132.4	-7.1	112.4	G350	G350-R354 WeakPolarHBondContact O-CB 3.2Å; G350-R354 PolarHBondContact O-N 3.47Å
355	D	98.8	Very high	98.6	Very high	39 Å²	39	52.4 Å²	52.4	21%	0.209	31%	0.308	C	S	.	.	T	Hydrogen-bonded Turn	trans	-95.9	13.3	-174.7	-53.4	-12.3	0	0	0	112.8	R251 D351 V352 V353 A357 Q358 I359	R251-D355 IonicContact CZ-OD2 3.02Å; R251-D355 VanDerWaalsContact CZ-OD2 3.27Å; R251-D355 IonicContact NH1-OD2 2.7Å; R251-D355 PolarHBondContact NH1-OD2 2.96Å; R251-D355 IonicContact NH2-OD2 3.43Å; R251-D355 PolarHBondContact NH2-OD2 3.14Å; D351-D355 PolarHBondContact O-N 3.48Å; V352-D355 PolarHBondContact O-N 2.85Å; V353-D355 VanDerWaalsContact C-N 3.3Å; V353-D355 PolarHBondContact O-N 3.14Å; D355-A357 VanDerWaalsContact C-N 3.34Å; D355-A357 PolarHBondContact O-N 2.66Å; D355-Q358 PolarHBondContact O-N 3.38Å; D355-Q358 VanDerWaalsContact O-N 3.08Å; D355-Q358 PolarHBondContact O-OE1 2.86Å; D355-Q358 VanDerWaalsContact O-OE1 3.12Å; D355-I359 HydrophobicContact CB-CD1 3.88Å; D355-I359 HydrophobicContact CB-CG1 4.19Å; D355-I359 VanDerWaalsContact O-CG1 3.3Å; D355-I359 WeakPolarHBondContact O-CG1 3.37Å; D355-I359 PolarHBondContact O-N 3.18Å
356	M	98.9	Very high	98.6	Very high	0 Å²	0	50.4 Å²	50.4	0%	0	30%	0.296	C	S	.	.	H	α-helix	trans	-57	-42.6	-168.9	-172.4	65.3	62.8	0	0	113.1	R229 L254 I348 V352 V353 Q358 I359 A360 L363 P370	R229-M356 HydrophobicContact CG-CE 3.74Å; R229-M356 HydrophobicContact CG-SD 3.71Å; L254-M356 HydrophobicContact CD1-CE 3.91Å; L254-M356 HydrophobicContact CD1-SD 3.82Å; L254-M356 HydrophobicContact CD2-SD 4.32Å; I348-M356 HydrophobicContact CD1-CE 4.06Å; I348-M356 HydrophobicContact CG2-CE 4.15Å; V352-M356 HydrophobicContact CG1-CE 4.27Å; V352-M356 WeakPolarHBondContact O-CA 3.21Å; V352-M356 PolarHBondContact O-N 3.47Å; V352-M356 VanDerWaalsContact O-N 3.1Å; V353-M356 WeakPolarHBondContact O-CB 3.26Å; V353-M356 PolarHBondContact O-N 3.27Å; M356-Q358 VanDerWaalsContact C-N 3.3Å; M356-Q358 PolarHBondContact O-N 3.05Å; M356-I359 PolarHBondContact O-N 3.37Å; M356-A360 PolarHBondContact O-N 2.95Å; M356-L363 HydrophobicContact CG-CD1 3.69Å; M356-L363 HydrophobicContact SD-CD1 3.78Å; M356-P370 HydrophobicContact CB-CB 4.49Å; M356-P370 HydrophobicContact CG-CB 4.08Å; M356-P370 WeakPolarHBondContact CG-O 3.22Å
357	A	98.6	Very high	98.7	Very high	24 Å²	24	50 Å²	50	20%	0.198	29%	0.292	C	S	.	.	H	α-helix	trans	-66.6	-32	-179.5	0	0	0	0	0	112.7	D355 P370 Y371	D355-A357 VanDerWaalsContact C-N 3.34Å; D355-A357 PolarHBondContact O-N 2.66Å; A357-P370 HydrophobicContact CB-CB 4.12Å; A357-P370 HydrophobicContact CB-CG 3.98Å; A357-Y371 HydrophobicContact CB-CE1 4.05Å; A357-Y371 HydrophobicContact CB-CE2 4.26Å; A357-Y371 VanDerWaalsContact CB-OH 3.26Å; A357-Y371 WeakPolarHBondContact CB-OH 3.28Å
358	Q	98.6	Very high	98.7	Very high	133 Å²	133	45.3 Å²	45.3	62%	0.621	27%	0.269	S	S	*	.	H	α-helix	trans	-77.5	-41.1	176.8	-64.6	79.5	2.2	0	0	111.3	D355 M356	D355-Q358 PolarHBondContact O-N 3.38Å; D355-Q358 VanDerWaalsContact O-N 3.08Å; D355-Q358 PolarHBondContact O-OE1 2.86Å; D355-Q358 VanDerWaalsContact O-OE1 3.12Å; M356-Q358 VanDerWaalsContact C-N 3.3Å; M356-Q358 PolarHBondContact O-N 3.05Å
359	I	98.8	Very high	98.7	Very high	14 Å²	14	48.3 Å²	48.3	7%	0.072	29%	0.286	C	S	.	.	H	α-helix	trans	-69.5	-42.1	180	-64.2	165.5	0	0	0	111	R251 L254 V352 D355 M356	R251-I359 HydrophobicContact CG-CD1 3.95Å; R251-I359 HydrophobicContact CG-CG1 4.3Å; L254-I359 HydrophobicContact CB-CG2 3.53Å; V352-I359 HydrophobicContact CB-CD1 4.44Å; V352-I359 HydrophobicContact CG1-CD1 3.87Å; D355-I359 HydrophobicContact CB-CD1 3.88Å; D355-I359 HydrophobicContact CB-CG1 4.19Å; D355-I359 VanDerWaalsContact O-CG1 3.3Å; D355-I359 WeakPolarHBondContact O-CG1 3.37Å; D355-I359 PolarHBondContact O-N 3.18Å; M356-I359 PolarHBondContact O-N 3.37Å
360	A	98.8	Very high	98.7	Very high	0 Å²	0	46.3 Å²	46.3	0%	0	27%	0.273	C	S	.	.			trans	-133.9	61.4	-167.8	0	0	0	0	0	112.7	W257 N258 M356 M362 L363	W257-A360 HydrophobicContact CE3-CB 4.27Å; W257-A360 HydrophobicContact CZ3-CB 3.99Å; N258-A360 HydrophobicContact CB-CB 4.41Å; N258-A360 WeakPolarHBondContact OD1-CA 3.34Å; M356-A360 PolarHBondContact O-N 2.95Å; A360-M362 PolarHBondContact O-N 3.13Å; A360-M362 VanDerWaalsContact O-N 3.11Å; A360-L363 HydrophobicContact CB-CD1 3.77Å; A360-L363 HydrophobicContact CB-CG 4Å; A360-L363 WeakPolarHBondContact O-CB 3.16Å; A360-L363 WeakPolarHBondContact O-CG 3.33Å; A360-L363 PolarHBondContact O-N 3.18Å
361	P	98.8	Very high	98.7	Very high	58 Å²	58	50.4 Å²	50.4	38%	0.377	27%	0.271	S	S	.	.	T	Hydrogen-bonded Turn	trans	-59.6	-23.2	179.5	25	-36.2	0	0	0	113.8	N258 L363 A364 Q365	N258-P361 VanDerWaalsContact OD1-CD 3.28Å; N258-P361 WeakPolarHBondContact OD1-CD 3.46Å; P361-L363 PolarHBondContact O-N 2.62Å; P361-A364 PolarHBondContact O-N 2.67Å; P361-Q365 PolarHBondContact O-N 2.98Å
362	M	98.9	Very high	98.7	Very high	4 Å²	4	48.4 Å²	48.4	2%	0.02	26%	0.264	C	S	.	.	H	α-helix	trans	-61.9	-22.2	173.5	-73.9	-60.7	-59	0	0	113.1	W257 N258 I261 E262 Y265 A360 Q365 L366	W257-M362 HydrophobicContact CH2-CB 4.14Å; W257-M362 HydrophobicContact CZ3-CB 4.1Å; N258-M362 WeakPolarHBondContact OD1-CB 3.38Å; N258-M362 VanDerWaalsContact OD1-CG 3.23Å; N258-M362 WeakPolarHBondContact OD1-CG 3.28Å; N258-M362 PolarHBondContact OD1-N 3.33Å; I261-M362 HydrophobicContact CG2-CB 3.78Å; I261-M362 HydrophobicContact CG2-CE 4.45Å; I261-M362 HydrophobicContact CG2-CG 3.9Å; E262-M362 HydrophobicContact CB-CG 3.9Å; E262-M362 HydrophobicContact CB-SD 3.93Å; E262-M362 HydrophobicContact CG-SD 4.16Å; Y265-M362 HydrophobicContact CD1-CE 4.15Å; Y265-M362 HydrophobicContact CG-CE 4.19Å; A360-M362 PolarHBondContact O-N 3.13Å; A360-M362 VanDerWaalsContact O-N 3.11Å; M362-Q365 HydrophobicContact CE-CB 4.45Å; M362-Q365 PolarHBondContact O-N 3.27Å; M362-Q365 HydrophobicContact SD-CB 4.35Å; M362-Q365 HydrophobicContact SD-CG 4.5Å; M362-Q365 PolarHBondContact SD-OE1 3.43Å; M362-Q365 VanDerWaalsContact SD-OE1 3.32Å; M362-L366 HydrophobicContact CB-CD1 4.21Å; M362-L366 HydrophobicContact CE-CD1 3.97Å; M362-L366 HydrophobicContact CE-CD2 4.15Å; M362-L366 HydrophobicContact CE-CG 3.92Å; M362-L366 VanDerWaalsContact O-CB 3.27Å; M362-L366 WeakPolarHBondContact O-CB 3.27Å; M362-L366 WeakPolarHBondContact O-CD1 3.45Å; M362-L366 WeakPolarHBondContact O-CG 3.47Å; M362-L366 PolarHBondContact O-N 2.85Å
363	L	98.9	Very high	98.6	Very high	0 Å²	0	51.3 Å²	51.3	0%	0	28%	0.279	C	S	.	.	H	α-helix	trans	-55.1	-54.9	172.8	-72.3	171.4	0	0	0	110.2	D227 R229 W257 M356 A360 P361 Q365 L366 G367 Y368 P370	D227-L363 WeakPolarHBondContact OD1-CD2 3.48Å; R229-L363 HydrophobicContact CG-CD1 4.37Å; W257-L363 HydrophobicContact CH2-CD2 3.72Å; W257-L363 HydrophobicContact CH2-CG 4.03Å; W257-L363 HydrophobicContact CZ2-CD2 4.44Å; W257-L363 HydrophobicContact CZ3-CD2 4.12Å; W257-L363 HydrophobicContact CZ3-CG 4.02Å; M356-L363 HydrophobicContact CG-CD1 3.69Å; M356-L363 HydrophobicContact SD-CD1 3.78Å; A360-L363 HydrophobicContact CB-CD1 3.77Å; A360-L363 HydrophobicContact CB-CG 4Å; A360-L363 WeakPolarHBondContact O-CB 3.16Å; A360-L363 WeakPolarHBondContact O-CG 3.33Å; A360-L363 PolarHBondContact O-N 3.18Å; P361-L363 PolarHBondContact O-N 2.62Å; L363-Q365 PolarHBondContact O-N 3.25Å; L363-L366 CarbonylContact O-C 3.43Å; L363-L366 PolarHBondContact O-N 2.98Å; L363-G367 PolarHBondContact O-N 3.13Å; L363-G367 VanDerWaalsContact O-N 3.15Å; L363-Y368 CarbonylContact C-O 3.09Å; L363-Y368 HydrophobicContact CD2-CD2 4.27Å; L363-Y368 HydrophobicContact CD2-CG 4.33Å; L363-Y368 WeakPolarHBondContact O-CA 3.07Å; L363-Y368 WeakPolarHBondContact O-CB 3.5Å; L363-Y368 PolarHBondContact O-N 3.09Å; L363-Y368 VanDerWaalsContact O-O 3.1Å; L363-P370 HydrophobicContact CB-CB 4.37Å; L363-P370 HydrophobicContact CD1-CB 4.25Å
364	A	98.8	Very high	98.5	Very high	60 Å²	60	51.7 Å²	51.7	50%	0.496	28%	0.282	S	S	.	.	H	α-helix	trans	-63.5	-42.9	-179.5	0	0	0	0	0	111.9	P361 L366 G367 Y368	P361-A364 PolarHBondContact O-N 2.67Å; A364-L366 PolarHBondContact O-N 3.32Å; A364-G367 PolarHBondContact O-N 3.28Å; A364-Y368 WeakPolarHBondContact CA-O 3.41Å; A364-Y368 PolarHBondContact N-O 2.97Å
365	Q	98.6	Very high	98.3	Very high	131 Å²	131	44.6 Å²	44.6	61%	0.612	26%	0.258	S	S	*	.	H	α-helix	trans	-61.2	-32	177.7	-65.1	-168.2	15.5	0	0	113	P361 M362 L363 G367	P361-Q365 PolarHBondContact O-N 2.98Å; M362-Q365 HydrophobicContact CE-CB 4.45Å; M362-Q365 PolarHBondContact O-N 3.27Å; M362-Q365 HydrophobicContact SD-CB 4.35Å; M362-Q365 HydrophobicContact SD-CG 4.5Å; M362-Q365 PolarHBondContact SD-OE1 3.43Å; M362-Q365 VanDerWaalsContact SD-OE1 3.32Å; L363-Q365 PolarHBondContact O-N 3.25Å; Q365-G367 VanDerWaalsContact C-N 3.34Å
366	L	98.7	Very high	98.3	Very high	3 Å²	3	49.6 Å²	49.6	2%	0.016	28%	0.284	C	S	.	.	T	Hydrogen-bonded Turn	trans	-89.2	-1	179.1	-64.1	165.6	0	0	0	112.5	V225 W257 I261 Y265 Y280 M362 L363 A364 Y368	V225-L366 HydrophobicContact CG1-CB 4.31Å; V225-L366 HydrophobicContact CG1-CD1 3.91Å; V225-L366 HydrophobicContact CG1-CD2 4.11Å; V225-L366 HydrophobicContact CG1-CG 4.33Å; W257-L366 HydrophobicContact CH2-CD1 4.33Å; W257-L366 HydrophobicContact CZ2-CD1 4.46Å; I261-L366 HydrophobicContact CG1-CD1 3.86Å; I261-L366 HydrophobicContact CG2-CD1 4.31Å; Y265-L366 HydrophobicContact CD1-CD2 4.47Å; Y265-L366 HydrophobicContact CD2-CD2 3.54Å; Y265-L366 HydrophobicContact CE1-CD2 4.47Å; Y265-L366 HydrophobicContact CE2-CD2 3.54Å; Y265-L366 HydrophobicContact CG-CD2 4.02Å; Y280-L366 WeakPolarHBondContact CE1-O 3.23Å; Y280-L366 PolarHBondContact OH-O 3.23Å; M362-L366 HydrophobicContact CB-CD1 4.21Å; M362-L366 HydrophobicContact CE-CD1 3.97Å; M362-L366 HydrophobicContact CE-CD2 4.15Å; M362-L366 HydrophobicContact CE-CG 3.92Å; M362-L366 VanDerWaalsContact O-CB 3.27Å; M362-L366 WeakPolarHBondContact O-CB 3.27Å; M362-L366 WeakPolarHBondContact O-CD1 3.45Å; M362-L366 WeakPolarHBondContact O-CG 3.47Å; M362-L366 PolarHBondContact O-N 2.85Å; L363-L366 CarbonylContact O-C 3.43Å; L363-L366 PolarHBondContact O-N 2.98Å; A364-L366 PolarHBondContact O-N 3.32Å; L366-Y368 HydrophobicContact CB-CD2 3.83Å; L366-Y368 HydrophobicContact CB-CE2 3.83Å
367	G	98.6	Very high	98.2	Very high	68 Å²	68	50.7 Å²	50.7	70%	0.701	29%	0.289	S	S	*	.	T	Hydrogen-bonded Turn	trans	91.1	12	178.1	0	0	0	0	0	115.2	L363 A364 Q365	L363-G367 PolarHBondContact O-N 3.13Å; L363-G367 VanDerWaalsContact O-N 3.15Å; A364-G367 PolarHBondContact O-N 3.28Å; Q365-G367 VanDerWaalsContact C-N 3.34Å
368	Y	98.8	Very high	98.2	Very high	11 Å²	11	51 Å²	51	4%	0.043	30%	0.295	C	S	.	.			trans	-93.3	118	170.5	-54.5	-77.8	0	0	0	109.8	V225 R226 D227 Y280 E282 L363 A364 L366 P370 Y377	V225-Y368 HydrophobicContact CG1-CE2 3.9Å; R226-Y368 WeakPolarHBondContact CA-OH 3.48Å; D227-Y368 HydrophobicContact CB-CD1 3.89Å; D227-Y368 HydrophobicContact CB-CE1 3.87Å; D227-Y368 HydrophobicContact CB-CG 4.4Å; D227-Y368 PolarHBondContact N-OH 3.42Å; Y280-Y368 HydrophobicContact CD1-CE2 4.45Å; Y280-Y368 AromaticContact CD1-CZ 3.94Å; Y280-Y368 VanDerWaalsContact CD1-OH 3.27Å; Y280-Y368 WeakPolarHBondContact CD1-OH 3.47Å; Y280-Y368 HydrophobicContact CE1-CE2 4.18Å; E282-Y368 PolarHBondContact OE2-OH 3.49Å; L363-Y368 CarbonylContact C-O 3.09Å; L363-Y368 HydrophobicContact CD2-CD2 4.27Å; L363-Y368 HydrophobicContact CD2-CG 4.33Å; L363-Y368 WeakPolarHBondContact O-CA 3.07Å; L363-Y368 WeakPolarHBondContact O-CB 3.5Å; L363-Y368 PolarHBondContact O-N 3.09Å; L363-Y368 VanDerWaalsContact O-O 3.1Å; A364-Y368 WeakPolarHBondContact CA-O 3.41Å; A364-Y368 PolarHBondContact N-O 2.97Å; L366-Y368 HydrophobicContact CB-CD2 3.83Å; L366-Y368 HydrophobicContact CB-CE2 3.83Å; Y368-P370 VanDerWaalsContact O-CD 3.26Å; Y368-P370 WeakPolarHBondContact O-CD 3.45Å; Y368-P370 VanDerWaalsContact O-N 3.14Å; Y368-Y377 AromaticContact CD1-CE1 3.97Å; Y368-Y377 HydrophobicContact CD1-CE1 3.97Å; Y368-Y377 HydrophobicContact CE1-CE1 4.1Å
369	D	98.7	Very high	98.2	Very high	80 Å²	80	50.9 Å²	50.9	43%	0.428	30%	0.298	S	S	.	.			trans	-61.7	115.9	172.4	-178.4	-14	0	0	0	109.5	R229 Y371 A372	R229-D369 PolarHBondContact NH1-O 2.94Å; R229-D369 PolarHBondContact NH2-O 3Å; D369-Y371 PolarHBondContact O-N 2.56Å; D369-Y371 PolarHBondContact OD1-N 2.66Å; D369-A372 HydrophobicContact CB-CB 3.8Å; D369-A372 PolarHBondContact O-N 2.92Å; D369-A372 PolarHBondContact OD1-N 3.29Å
370	P	98.6	Very high	98.1	Very high	13 Å²	13	52.3 Å²	52.3	8%	0.084	31%	0.308	C	S	.	.	S	Bend	trans	-69.4	-18.1	-178.1	29.5	-35	0	0	0	112.9	R229 M356 A357 L363 Y368	R229-P370 PolarHBondContact NH1-O 3.08Å; M356-P370 HydrophobicContact CB-CB 4.49Å; M356-P370 HydrophobicContact CG-CB 4.08Å; M356-P370 WeakPolarHBondContact CG-O 3.22Å; A357-P370 HydrophobicContact CB-CB 4.12Å; A357-P370 HydrophobicContact CB-CG 3.98Å; L363-P370 HydrophobicContact CB-CB 4.37Å; L363-P370 HydrophobicContact CD1-CB 4.25Å; Y368-P370 VanDerWaalsContact O-CD 3.26Å; Y368-P370 WeakPolarHBondContact O-CD 3.45Å; Y368-P370 VanDerWaalsContact O-N 3.14Å
371	Y	98.3	Very high	98.1	Very high	144 Å²	144	54.1 Å²	54.1	57%	0.565	32%	0.318	S	S	*	.	S	Bend	trans	-97.4	-20.6	-179.2	-58	-62.6	0	0	0	113.3	A357 D369 N373	A357-Y371 HydrophobicContact CB-CE1 4.05Å; A357-Y371 HydrophobicContact CB-CE2 4.26Å; A357-Y371 VanDerWaalsContact CB-OH 3.26Å; A357-Y371 WeakPolarHBondContact CB-OH 3.28Å; D369-Y371 PolarHBondContact O-N 2.56Å; D369-Y371 PolarHBondContact OD1-N 2.66Å; Y371-N373 PolarHBondContact O-ND2 2.78Å
372	A	98.3	Very high	98.1	Very high	24 Å²	24	56 Å²	56	20%	0.198	33%	0.33	C	S	.	.	S	Bend	trans	-73.4	133.8	174.1	0	0	0	0	0	112.3	R229 D369 P375	R229-A372 PolarHBondContact NH1-O 3.09Å; D369-A372 HydrophobicContact CB-CB 3.8Å; D369-A372 PolarHBondContact O-N 2.92Å; D369-A372 PolarHBondContact OD1-N 3.29Å; A372-P375 HydrophobicContact CB-CB 4.29Å; A372-P375 HydrophobicContact CB-CG 4.16Å
373	N	97.1	Very high	98	Very high	64 Å²	64	58.5 Å²	58.5	34%	0.342	34%	0.343	S	S	.	.	S	Bend	trans	-134.5	85.7	-175.6	-76.3	-87.7	0	0	0	112.2	W344 T345 Y371	W344-N373 WeakPolarHBondContact CZ3-OD1 3.45Å; T345-N373 WeakPolarHBondContact CG2-O 3.36Å; Y371-N373 PolarHBondContact O-ND2 2.78Å
374	P	96.6	Very high	98	Very high	50 Å²	50	58.5 Å²	58.5	33%	0.325	34%	0.343	S	S	.	.	S	Bend	cis	-84.4	168.3	-6.7	36.4	-33.4	0	0	0	112.2	W344 T345 Y377	W344-P374 HydrophobicContact CH2-CB 4.43Å; W344-P374 HydrophobicContact CZ2-CB 3.77Å; T345-P374 WeakPolarHBondContact OG1-CB 3.49Å; T345-P374 WeakPolarHBondContact OG1-CD 3.37Å; P374-Y377 HydrophobicContact CB-CE2 4.24Å
375	P	94.7	Very high	98	Very high	17 Å²	17	58.3 Å²	58.3	11%	0.11	34%	0.336	C	S	.	.			trans	-59.1	154.5	159.2	-18	30.6	0	0	0	111.6	A372 Y377	A372-P375 HydrophobicContact CB-CB 4.29Å; A372-P375 HydrophobicContact CB-CG 4.16Å; P375-Y377 HydrophobicContact CB-CD1 4.33Å; P375-Y377 HydrophobicContact CB-CE1 4.03Å; P375-Y377 HydrophobicContact CG-CE1 4.01Å; P375-Y377 PolarHBondContact O-N 3.26Å
376	N	97.4	Very high	97.9	Very high	143 Å²	143	57 Å²	57	77%	0.765	33%	0.332	S	S	*	.			trans	-76.9	100.3	165.6	-177.2	3.1	0	0	0	109.4	G378	N376-G378 PolarHBondContact O-N 2.75Å; N376-G378 PolarHBondContact OD1-N 3.47Å
377	Y	97.8	Very high	97.9	Very high	24 Å²	24	57.5 Å²	57.5	9%	0.094	34%	0.335	C	S	.	.			trans	-72.3	-15.2	177.8	-56.9	-59	0	0	0	113.4	D227 E282 Q283 L286 W344 Y368 P374 P375	D227-Y377 HydrophobicContact CB-CE1 4.28Å; D227-Y377 PolarHBondContact OD2-OH 2.71Å; E282-Y377 HydrophobicContact CB-CD1 4.19Å; E282-Y377 HydrophobicContact CB-CG 4.14Å; E282-Y377 HydrophobicContact CG-CD1 3.72Å; E282-Y377 HydrophobicContact CG-CD2 4.27Å; E282-Y377 HydrophobicContact CG-CE1 4.03Å; E282-Y377 HydrophobicContact CG-CG 3.86Å; Q283-Y377 PolarHBondContact OE1-O 3.12Å; Q283-Y377 VanDerWaalsContact OE1-O 3.06Å; L286-Y377 WeakPolarHBondContact CD1-O 3.32Å; W344-Y377 PolarHBondContact NE1-OH 3.49Å; W344-Y377 VanDerWaalsContact NE1-OH 3.12Å; Y368-Y377 AromaticContact CD1-CE1 3.97Å; Y368-Y377 HydrophobicContact CD1-CE1 3.97Å; Y368-Y377 HydrophobicContact CE1-CE1 4.1Å; P374-Y377 HydrophobicContact CB-CE2 4.24Å; P375-Y377 HydrophobicContact CB-CD1 4.33Å; P375-Y377 HydrophobicContact CB-CE1 4.03Å; P375-Y377 HydrophobicContact CG-CE1 4.01Å; P375-Y377 PolarHBondContact O-N 3.26Å
378	G	97.9	Very high	97.8	Very high	31 Å²	31	55 Å²	55	32%	0.32	31%	0.306	S	S	.	.			trans	117.1	-178.2	-178.1	0	0	0	0	0	113.4	N376	N376-G378 PolarHBondContact O-N 2.75Å; N376-G378 PolarHBondContact OD1-N 3.47Å
379	N	98.4	Very high	97.8	Very high	130 Å²	130	59 Å²	59	70%	0.695	33%	0.326	S	S	*	.	P	Polyproline II helix	trans	-102	139.3	-178.5	-66.8	-49.1	0	0	0	111	H287	H287-N379 PolarHBondContact CE1-O 2.81Å
380	P	98.6	Very high	97.7	Very high	43 Å²	43	59.2 Å²	59.2	28%	0.279	32%	0.32	S	S	.	.	P	Polyproline II helix	trans	-75.1	149.1	-176.4	31.2	-37.1	0	0	0	113	L286 L338 V384 V385	L286-P380 HydrophobicContact CD2-CB 3.83Å; L338-P380 HydrophobicContact CD1-CB 3.85Å; L338-P380 HydrophobicContact CD1-CG 3.76Å; L338-P380 HydrophobicContact CD2-CB 3.77Å; L338-P380 HydrophobicContact CD2-CG 4.45Å; L338-P380 HydrophobicContact CG-CB 4.42Å; P380-V384 HydrophobicContact CB-CB 4.35Å; P380-V385 HydrophobicContact CB-CG2 4.05Å; P380-V385 HydrophobicContact CG-CG2 3.57Å
381	D	98.5	Very high	97.5	Very high	39 Å²	39	59 Å²	59	21%	0.209	32%	0.319	C	S	.	.	P	Polyproline II helix	trans	-63	148.3	165.2	-70.2	-10.5	0	0	0	110.3	L286 H287 I383 V384 V385	L286-D381 PolarHBondContact O-N 2.85Å; H287-D381 WeakPolarHBondContact CA-OD2 3.28Å; H287-D381 IonicContact CE1-OD1 2.76Å; H287-D381 IonicContact CG-OD1 3.82Å; H287-D381 IonicContact ND1-OD1 2.76Å; H287-D381 PolarHBondContact ND1-OD1 3.11Å; H287-D381 IonicContact ND1-OD2 2.65Å; D381-I383 HydrophobicContact CB-CG2 4.03Å; D381-I383 PolarHBondContact O-N 2.86Å; D381-I383 VanDerWaalsContact O-N 3.09Å; D381-V384 HydrophobicContact CB-CG2 4.31Å; D381-V384 PolarHBondContact O-N 2.8Å; D381-V385 PolarHBondContact O-N 3.43Å
382	P	98.3	Very high	97.3	Very high	97 Å²	97	57.4 Å²	57.4	63%	0.63	32%	0.319	S	S	*	.	H	α-helix	trans	-54.5	-33.7	-179.2	-28.7	35.3	0	0	0	114.6	V384 V385 N386	P382-V384 VanDerWaalsContact C-N 3.27Å; P382-V384 PolarHBondContact O-N 2.78Å; P382-V385 PolarHBondContact O-N 3.42Å; P382-N386 VanDerWaalsContact O-CG 3.31Å; P382-N386 PolarHBondContact O-N 3.25Å
383	I	97.1	Very high	97.1	Very high	57 Å²	57	63.5 Å²	63.5	29%	0.292	34%	0.341	S	S	.	.	H	α-helix	trans	-59.3	-38	176.8	-169.8	172.4	0	0	0	112	P288 D381 N386 N387	P288-I383 HydrophobicContact CG-CG2 4.31Å; D381-I383 HydrophobicContact CB-CG2 4.03Å; D381-I383 PolarHBondContact O-N 2.86Å; D381-I383 VanDerWaalsContact O-N 3.09Å; I383-N386 PolarHBondContact O-N 2.84Å; I383-N387 WeakPolarHBondContact O-CB 3.35Å; I383-N387 PolarHBondContact O-N 2.82Å; I383-N387 PolarHBondContact O-OD1 2.92Å
384	V	98.2	Very high	96.8	Very high	0 Å²	0	62.6 Å²	62.6	0%	0	35%	0.347	C	S	.	.	H	α-helix	trans	-76.8	-35.5	-177.1	-167.4	0	0	0	0	110.6	V285 P288 V336 L338 P380 D381 P382 N387 T388	V285-V384 HydrophobicContact CG1-CG1 4.48Å; V285-V384 VanDerWaalsContact O-CG1 3.31Å; V285-V384 WeakPolarHBondContact O-CG1 3.44Å; V285-V384 VanDerWaalsContact O-CG2 3.24Å; V285-V384 WeakPolarHBondContact O-CG2 3.26Å; P288-V384 VanDerWaalsContact CD-CG2 3.45Å; P288-V384 HydrophobicContact CG-CG2 3.73Å; V336-V384 HydrophobicContact CG1-CG1 4.31Å; L338-V384 HydrophobicContact CD2-CB 4.47Å; L338-V384 HydrophobicContact CD2-CG1 3.59Å; L338-V384 HydrophobicContact CG-CG1 3.85Å; P380-V384 HydrophobicContact CB-CB 4.35Å; D381-V384 HydrophobicContact CB-CG2 4.31Å; D381-V384 PolarHBondContact O-N 2.8Å; P382-V384 VanDerWaalsContact C-N 3.27Å; P382-V384 PolarHBondContact O-N 2.78Å; V384-N387 PolarHBondContact O-N 3.47Å; V384-T388 WeakPolarHBondContact O-CB 3.49Å; V384-T388 PolarHBondContact O-N 2.89Å; V384-T388 PolarHBondContact O-OG1 3.15Å
385	V	98.3	Very high	96.4	Very high	56 Å²	56	64.3 Å²	64.3	34%	0.339	35%	0.354	S	S	.	.	H	α-helix	trans	-59.8	-49.4	171.2	179.9	0	0	0	0	109.7	L338 P380 D381 P382 N387 T388 Q389	L338-V385 HydrophobicContact CD1-CG2 4.48Å; P380-V385 HydrophobicContact CB-CG2 4.05Å; P380-V385 HydrophobicContact CG-CG2 3.57Å; D381-V385 PolarHBondContact O-N 3.43Å; P382-V385 PolarHBondContact O-N 3.42Å; V385-N387 PolarHBondContact O-N 3.43Å; V385-T388 WeakPolarHBondContact O-CB 3.45Å; V385-T388 PolarHBondContact O-N 3.5Å; V385-Q389 WeakPolarHBondContact O-CG 3.42Å; V385-Q389 PolarHBondContact O-N 2.87Å
386	N	97.7	Very high	96	Very high	102 Å²	102	67.5 Å²	67.5	55%	0.545	36%	0.364	S	S	.	.	H	α-helix	trans	-61.6	-44.5	177.9	-70.1	-15.2	0	0	0	112.3	P382 I383 T388 Q389 R390	P382-N386 VanDerWaalsContact O-CG 3.31Å; P382-N386 PolarHBondContact O-N 3.25Å; I383-N386 PolarHBondContact O-N 2.84Å; N386-T388 VanDerWaalsContact C-N 3.3Å; N386-T388 PolarHBondContact O-N 3.37Å; N386-Q389 PolarHBondContact O-N 3.33Å; N386-R390 WeakPolarHBondContact O-CG 3.49Å; N386-R390 PolarHBondContact O-N 2.93Å
387	N	97.8	Very high	95.2	Very high	14 Å²	14	69.1 Å²	69.1	8%	0.075	37%	0.365	C	S	.	.	H	α-helix	trans	-59.5	-42	174.8	-74.1	-8.3	0	0	0	111.8	P335 V336 I383 V384 V385 R390 V391	P335-N387 HydrophobicContact CB-CB 4Å; P335-N387 HydrophobicContact CG-CB 4.05Å; V336-N387 WeakPolarHBondContact O-CB 3.49Å; V336-N387 PolarHBondContact O-ND2 3.42Å; I383-N387 WeakPolarHBondContact O-CB 3.35Å; I383-N387 PolarHBondContact O-N 2.82Å; I383-N387 PolarHBondContact O-OD1 2.92Å; V384-N387 PolarHBondContact O-N 3.47Å; V385-N387 PolarHBondContact O-N 3.43Å; N387-R390 WeakPolarHBondContact O-CB 3.26Å; N387-R390 PolarHBondContact O-N 2.9Å; N387-V391 WeakPolarHBondContact O-CG2 3.48Å; N387-V391 PolarHBondContact O-N 3.46Å
388	T	97.8	Very high	94.4	Very high	15 Å²	15	70 Å²	70	9%	0.092	37%	0.373	C	S	.	.	H	α-helix	trans	-63.4	-43.5	177.1	-55.4	0	0	0	0	110.9	N337 L338 V384 V385 N386 R390 V391 L392	N337-T388 WeakPolarHBondContact CA-OG1 3.47Å; L338-T388 HydrophobicContact CB-CG2 4.31Å; L338-T388 WeakPolarHBondContact CG-OG1 3.39Å; L338-T388 PolarHBondContact N-OG1 3.49Å; V384-T388 WeakPolarHBondContact O-CB 3.49Å; V384-T388 PolarHBondContact O-N 2.89Å; V384-T388 PolarHBondContact O-OG1 3.15Å; V385-T388 WeakPolarHBondContact O-CB 3.45Å; V385-T388 PolarHBondContact O-N 3.5Å; N386-T388 VanDerWaalsContact C-N 3.3Å; N386-T388 PolarHBondContact O-N 3.37Å; T388-R390 PolarHBondContact O-N 3.29Å; T388-V391 PolarHBondContact O-N 2.91Å; T388-L392 HydrophobicContact CG2-CD1 4.28Å; T388-L392 WeakPolarHBondContact O-CG 3.28Å; T388-L392 PolarHBondContact O-N 3.28Å
389	Q	97.4	Very high	93.4	Very high	97 Å²	97	69.4 Å²	69.4	45%	0.453	36%	0.363	S	S	.	.	H	α-helix	trans	-61.7	-41.2	175.6	-67.8	-59.5	-29	0	0	112.5	V385 N386 V391 L392 K393	V385-Q389 WeakPolarHBondContact O-CG 3.42Å; V385-Q389 PolarHBondContact O-N 2.87Å; N386-Q389 PolarHBondContact O-N 3.33Å; Q389-V391 VanDerWaalsContact C-N 3.35Å; Q389-V391 PolarHBondContact O-N 2.82Å; Q389-L392 PolarHBondContact O-N 3.24Å; Q389-K393 WeakPolarHBondContact O-CG 3.29Å; Q389-K393 PolarHBondContact O-N 2.87Å
390	R	96.2	Very high	92.4	Very high	84 Å²	84	67.4 Å²	67.4	32%	0.317	36%	0.364	S	S	.	.	H	α-helix	trans	-58.8	-45.9	172.5	-75.1	175.8	55.4	-154.1	-5.1	111.6	E311 N386 N387 T388 L392 K393 G394 D395	E311-R390 IonicContact OE1-NH1 3.29Å; N386-R390 WeakPolarHBondContact O-CG 3.49Å; N386-R390 PolarHBondContact O-N 2.93Å; N387-R390 WeakPolarHBondContact O-CB 3.26Å; N387-R390 PolarHBondContact O-N 2.9Å; T388-R390 PolarHBondContact O-N 3.29Å; R390-L392 VanDerWaalsContact C-N 3.35Å; R390-L392 PolarHBondContact O-N 3.33Å; R390-K393 PolarHBondContact O-N 2.87Å; R390-G394 PolarHBondContact O-N 3.35Å; R390-D395 HydrophobicContact CB-CB 4.11Å; R390-D395 PolarHBondContact NH2-O 2.9Å; R390-D395 WeakPolarHBondContact O-CB 3.44Å; R390-D395 PolarHBondContact O-N 2.88Å
391	V	95.7	Very high	91.2	Very high	8 Å²	8	70.2 Å²	70.2	5%	0.048	38%	0.377	C	S	.	.	H	α-helix	trans	-61.8	-43.2	178.5	172.2	0	0	0	0	111.5	K334 P335 N337 E339 N387 T388 Q389 K393 G394 Y396	K334-V391 HydrophobicContact CB-CG2 4.04Å; K334-V391 HydrophobicContact CD-CG1 3.77Å; K334-V391 HydrophobicContact CD-CG2 4.46Å; K334-V391 HydrophobicContact CG-CG1 4.44Å; K334-V391 HydrophobicContact CG-CG2 4.43Å; P335-V391 HydrophobicContact CG-CG2 3.73Å; N337-V391 HydrophobicContact CB-CG2 4.38Å; E339-V391 WeakPolarHBondContact OE1-CG1 3.4Å; N387-V391 WeakPolarHBondContact O-CG2 3.48Å; N387-V391 PolarHBondContact O-N 3.46Å; T388-V391 PolarHBondContact O-N 2.91Å; Q389-V391 VanDerWaalsContact C-N 3.35Å; Q389-V391 PolarHBondContact O-N 2.82Å; V391-K393 VanDerWaalsContact C-N 3.27Å; V391-K393 PolarHBondContact O-N 2.88Å; V391-G394 PolarHBondContact O-N 3.47Å; V391-Y396 HydrophobicContact CG1-CD1 4.39Å; V391-Y396 HydrophobicContact CG1-CE1 4.33Å
392	L	93.9	Very high	90.2	Very high	110 Å²	110	68.5 Å²	68.5	58%	0.576	37%	0.368	S	S	*	.	H	α-helix	trans	-64.7	-29.9	177.7	-68.3	173.4	0	0	0	113	T388 Q389 R390 G394	T388-L392 HydrophobicContact CG2-CD1 4.28Å; T388-L392 WeakPolarHBondContact O-CG 3.28Å; T388-L392 PolarHBondContact O-N 3.28Å; Q389-L392 PolarHBondContact O-N 3.24Å; R390-L392 VanDerWaalsContact C-N 3.35Å; R390-L392 PolarHBondContact O-N 3.33Å; L392-G394 PolarHBondContact O-N 2.94Å
393	K	94.8	Very high	88.9	Confident	152 Å²	152	69.7 Å²	69.7	66%	0.661	36%	0.363	S	S	*	.	T	Hydrogen-bonded Turn	trans	-75.8	-10.3	171.9	-70.5	175.4	-177.8	-176.1	0	113.7	Q389 R390 V391 D395	Q389-K393 WeakPolarHBondContact O-CG 3.29Å; Q389-K393 PolarHBondContact O-N 2.87Å; R390-K393 PolarHBondContact O-N 2.87Å; V391-K393 VanDerWaalsContact C-N 3.27Å; V391-K393 PolarHBondContact O-N 2.88Å; K393-D395 WeakPolarHBondContact CB-OD2 3.29Å
394	G	90.4	Very high	87.2	Confident	45 Å²	45	69.3 Å²	69.3	46%	0.464	37%	0.374	S	S	.	.	T	Hydrogen-bonded Turn	trans	82.3	13.7	-172.6	0	0	0	0	0	113.9	R390 V391 L392 Y396	R390-G394 PolarHBondContact O-N 3.35Å; V391-G394 PolarHBondContact O-N 3.47Å; L392-G394 PolarHBondContact O-N 2.94Å; G394-Y396 PolarHBondContact O-N 3.31Å
395	D	88.3	Confident	85.7	Confident	87 Å²	87	73.6 Å²	73.6	47%	0.465	39%	0.39	S	S	.	.			trans	-82.4	53.9	-174.7	-59.9	-23.9	0	0	0	112.3	R390 K393	R390-D395 HydrophobicContact CB-CB 4.11Å; R390-D395 PolarHBondContact NH2-O 2.9Å; R390-D395 WeakPolarHBondContact O-CB 3.44Å; R390-D395 PolarHBondContact O-N 2.88Å; K393-D395 WeakPolarHBondContact CB-OD2 3.29Å
396	Y	85	Confident	84	Confident	83 Å²	83	72.8 Å²	72.8	33%	0.325	38%	0.382	S	S	.	.			trans	-134	146.5	171.9	61.9	-87.9	0	0	0	110.6	I333 K334 V391 G394	I333-Y396 HydrophobicContact CD1-CD2 4.4Å; I333-Y396 HydrophobicContact CD1-CE2 4.26Å; K334-Y396 HydrophobicContact CG-CD1 4.3Å; K334-Y396 HydrophobicContact CG-CD2 4.01Å; K334-Y396 HydrophobicContact CG-CE1 4.47Å; K334-Y396 HydrophobicContact CG-CE2 4.21Å; K334-Y396 HydrophobicContact CG-CG 4.06Å; V391-Y396 HydrophobicContact CG1-CD1 4.39Å; V391-Y396 HydrophobicContact CG1-CE1 4.33Å; G394-Y396 PolarHBondContact O-N 3.31Å
397	K	80.5	Confident	81.9	Confident	178 Å²	178	74.3 Å²	74.3	77%	0.774	39%	0.386	S	S	*	.	P	Polyproline II helix	trans	-95	118.3	-176.2	-68.8	177.3	-178.5	171.7	0	109.5	P399	K397-P399 VanDerWaalsContact O-CD 3.25Å; K397-P399 WeakPolarHBondContact O-CD 3.31Å
398	T	81.6	Confident	79.4	Confident	43 Å²	43	78.4 Å²	78.4	26%	0.264	41%	0.411	S	S	.	.	P	Polyproline II helix	trans	-71.6	118.4	162.3	-54.5	0	0	0	0	108.4	I333 L402 K403 F406	I333-T398 HydrophobicContact CD1-CG2 4.42Å; T398-L402 HydrophobicContact CG2-CB 4.1Å; T398-K403 HydrophobicContact CG2-CG 4.03Å; T398-K403 VanDerWaalsContact O-CE 3.28Å; T398-K403 WeakPolarHBondContact O-CE 3.34Å; T398-F406 HydrophobicContact CG2-CD2 3.87Å; T398-F406 HydrophobicContact CG2-CE2 4.33Å
399	P	77.8	Confident	76.9	Confident	17 Å²	17	81 Å²	81	11%	0.11	43%	0.425	C	S	.	.	P	Polyproline II helix	trans	-54.4	144.4	178.4	-27	35.9	0	0	0	111.9	I314 I333 K397 N401 L402 K403	I314-P399 HydrophobicContact CB-CG 3.95Å; I314-P399 HydrophobicContact CG2-CB 4.18Å; I314-P399 HydrophobicContact CG2-CG 3.43Å; I314-P399 VanDerWaalsContact CG2-CG 3.43Å; I333-P399 HydrophobicContact CG2-CG 4.13Å; K397-P399 VanDerWaalsContact O-CD 3.25Å; K397-P399 WeakPolarHBondContact O-CD 3.31Å; P399-N401 WeakPolarHBondContact CB-OD1 3.45Å; P399-N401 PolarHBondContact O-N 3.37Å; P399-L402 HydrophobicContact CB-CB 4.47Å; P399-L402 HydrophobicContact CB-CD1 4.22Å; P399-L402 HydrophobicContact CB-CG 4.29Å; P399-L402 HydrophobicContact CG-CD1 3.97Å; P399-L402 WeakPolarHBondContact O-CA 3.42Å; P399-L402 PolarHBondContact O-N 3.48Å; P399-K403 PolarHBondContact O-N 3.36Å
400	A	76.4	Confident	74.2	Confident	88 Å²	88	83 Å²	83	73%	0.727	43%	0.434	S	S	*	.	G	3₁₀ helix	trans	-56.4	-39	-173.8	0	0	0	0	0	112.7	L402 K403	A400-L402 PolarHBondContact O-N 3.43Å; A400-K403 PolarHBondContact O-N 2.86Å
401	N	73.4	Confident	71	Confident	103 Å²	103	84.6 Å²	84.6	55%	0.551	45%	0.449	S	S	*	.	G	3₁₀ helix	trans	-68	-9	175.9	63.9	-35.1	0	0	0	114.4	P399	P399-N401 WeakPolarHBondContact CB-OD1 3.45Å; P399-N401 PolarHBondContact O-N 3.37Å
402	L	78.2	Confident	68.1	Low	2 Å²	2	86.8 Å²	86.8	1%	0.01	46%	0.464	C	S	.	.	G	3₁₀ helix	trans	-114.3	-12.9	-179.1	-61.7	-178.8	0	0	0	114.2	L322 K324 T329 I333 T398 P399 A400 G404 Y405 F406	L322-L402 HydrophobicContact CD1-CD1 4.39Å; K324-L402 HydrophobicContact CB-CD2 3.62Å; T329-L402 HydrophobicContact CG2-CD1 3.68Å; T329-L402 HydrophobicContact CG2-CD2 4.34Å; I333-L402 HydrophobicContact CG2-CD1 3.89Å; T398-L402 HydrophobicContact CG2-CB 4.1Å; P399-L402 HydrophobicContact CB-CB 4.47Å; P399-L402 HydrophobicContact CB-CD1 4.22Å; P399-L402 HydrophobicContact CB-CG 4.29Å; P399-L402 HydrophobicContact CG-CD1 3.97Å; P399-L402 WeakPolarHBondContact O-CA 3.42Å; P399-L402 PolarHBondContact O-N 3.48Å; A400-L402 PolarHBondContact O-N 3.43Å; L402-G404 PolarHBondContact O-N 3.28Å; L402-Y405 PolarHBondContact O-N 3.46Å; L402-Y405 VanDerWaalsContact O-N 3.17Å; L402-F406 HydrophobicContact CB-CD2 4.22Å; L402-F406 HydrophobicContact CB-CE2 3.78Å; L402-F406 HydrophobicContact CD1-CE2 4.15Å; L402-F406 HydrophobicContact CG-CE2 4.45Å; L402-F406 WeakPolarHBondContact O-CD2 3.29Å
403	K	70.3	Confident	65.3	Low	122 Å²	122	86.2 Å²	86.2	53%	0.53	47%	0.466	S	S	.	.	H	α-helix	trans	-55.8	-43.2	-172.7	-76.2	-176.2	179.3	-177.5	0	114.5	T398 P399 A400 Y405	T398-K403 HydrophobicContact CG2-CG 4.03Å; T398-K403 VanDerWaalsContact O-CE 3.28Å; T398-K403 WeakPolarHBondContact O-CE 3.34Å; P399-K403 PolarHBondContact O-N 3.36Å; A400-K403 PolarHBondContact O-N 2.86Å; K403-Y405 PolarHBondContact O-N 2.96Å
404	G	61.6	Low	62.4	Low	50 Å²	50	82.9 Å²	82.9	52%	0.515	46%	0.461	S	S	.	.	H	α-helix	trans	-75	-21.1	-178.5	0	0	0	0	0	114.7	L402 V408	L402-G404 PolarHBondContact O-N 3.28Å; G404-V408 WeakPolarHBondContact O-CG2 3.39Å
405	Y	67.5	Low	59.6	Low	90 Å²	90	84.4 Å²	84.4	35%	0.353	47%	0.465	S	S	.	.	H	α-helix	trans	-78.7	-40	-175.9	-172.3	-97.8	0	0	0	112.4	K324 I325 L402 K403 N409	K324-Y405 HydrophobicContact CB-CG 4.45Å; K324-Y405 WeakPolarHBondContact O-CD1 3.38Å; K324-Y405 WeakPolarHBondContact O-CE1 3.48Å; I325-Y405 HydrophobicContact CG2-CE2 4.4Å; L402-Y405 PolarHBondContact O-N 3.46Å; L402-Y405 VanDerWaalsContact O-N 3.17Å; K403-Y405 PolarHBondContact O-N 2.96Å; Y405-N409 WeakPolarHBondContact CE1-ND2 3.29Å
406	F	62.5	Low	57	Low	38 Å²	38	88.3 Å²	88.3	17%	0.167	48%	0.48	C	S	.	.	H	α-helix	trans	-77	-27.9	-177.3	-64	-55.9	0	0	0	113.5	T329 D330 I333 T398 L402 Q410	T329-F406 HydrophobicContact CG2-CZ 3.88Å; D330-F406 HydrophobicContact CB-CD1 4.11Å; D330-F406 HydrophobicContact CB-CE1 3.57Å; D330-F406 HydrophobicContact CB-CZ 3.98Å; I333-F406 HydrophobicContact CD1-CE2 4.2Å; T398-F406 HydrophobicContact CG2-CD2 3.87Å; T398-F406 HydrophobicContact CG2-CE2 4.33Å; L402-F406 HydrophobicContact CB-CD2 4.22Å; L402-F406 HydrophobicContact CB-CE2 3.78Å; L402-F406 HydrophobicContact CD1-CE2 4.15Å; L402-F406 HydrophobicContact CG-CE2 4.45Å; L402-F406 WeakPolarHBondContact O-CD2 3.29Å; F406-Q410 PolarHBondContact O-N 2.84Å
407	Q	52	Low	54.6	Low	135 Å²	135	92.4 Å²	92.4	63%	0.631	51%	0.507	S	S	*	.	H	α-helix	trans	-67.9	-39.4	175.9	-72.3	180	-18	0	0	112.5	N409 N411	Q407-N409 VanDerWaalsContact C-N 3.34Å; Q407-N409 PolarHBondContact O-N 2.85Å; Q407-N411 PolarHBondContact O-N 3.29Å
408	V	45.8	Very low	52.4	Low	99 Å²	99	86.4 Å²	86.4	60%	0.6	50%	0.496	S	S	*	.	H	α-helix	trans	-67	-35.6	178.5	176.7	0	0	0	0	111.7	G404 S412	G404-V408 WeakPolarHBondContact O-CG2 3.39Å; V408-S412 PolarHBondContact O-N 2.88Å; V408-S412 PolarHBondContact O-OG 3.33Å
409	N	46.3	Very low	50.1	Low	71 Å²	71	90.2 Å²	90.2	38%	0.38	52%	0.524	S	S	.	.	H	α-helix	trans	-81.1	-20.8	-178.5	-79.5	-26.5	0	0	0	114.7	Y405 Q407 S412 T413	Y405-N409 WeakPolarHBondContact CE1-ND2 3.29Å; Q407-N409 VanDerWaalsContact C-N 3.34Å; Q407-N409 PolarHBondContact O-N 2.85Å; N409-S412 WeakPolarHBondContact CA-OG 3.47Å; N409-S412 PolarHBondContact O-OG 2.8Å; N409-T413 PolarHBondContact O-OG1 3.43Å
410	Q	40	Very low	48	Very low	139 Å²	139	99 Å²	99	65%	0.65	59%	0.586	S	S	*	*	H	α-helix	trans	-71.8	-39.5	168.6	-76.9	-175.2	-16.7	0	0	111.2	F406 S412 T413 S414	F406-Q410 PolarHBondContact O-N 2.84Å; Q410-S412 PolarHBondContact O-N 3.5Å; Q410-T413 PolarHBondContact O-N 3.35Å; Q410-T413 PolarHBondContact O-OG1 2.94Å; Q410-T413 VanDerWaalsContact O-OG1 3.05Å; Q410-S414 PolarHBondContact O-N 2.95Å; Q410-S414 PolarHBondContact O-OG 3.4Å
411	N	30.1	Very low	46.6	Very low	116 Å²	116	99.6 Å²	99.6	62%	0.62	58%	0.579	S	S	*	*	H	α-helix	trans	-70.8	-29.6	178.7	-74.5	-2.1	0	0	0	113.6	Q407 T413 S414 S415	Q407-N411 PolarHBondContact O-N 3.29Å; N411-T413 VanDerWaalsContact C-N 3.34Å; N411-S414 WeakPolarHBondContact CA-OG 3.38Å; N411-S414 PolarHBondContact O-OG 3.01Å; N411-S415 PolarHBondContact O-N 3.11Å; N411-S415 PolarHBondContact O-OG 3.06Å
412	S	34.6	Very low	45.2	Very low	54 Å²	54	99.4 Å²	99.4	38%	0.378	58%	0.58	S	S	.	*	H	α-helix	trans	-80.2	-13	176.2	59.1	0	0	0	0	114.1	V408 N409 Q410 S415	V408-S412 PolarHBondContact O-N 2.88Å; V408-S412 PolarHBondContact O-OG 3.33Å; N409-S412 WeakPolarHBondContact CA-OG 3.47Å; N409-S412 PolarHBondContact O-OG 2.8Å; Q410-S412 PolarHBondContact O-N 3.5Å; S412-S415 PolarHBondContact O-OG 2.93Å
413	T	35	Very low	43.3	Very low	99 Å²	99	104.8 Å²	104.8	61%	0.607	61%	0.612	S	S	*	*	H	α-helix	trans	-92.4	-25.8	171.5	33.3	0	0	0	0	112.7	N409 Q410 N411	N409-T413 PolarHBondContact O-OG1 3.43Å; Q410-T413 PolarHBondContact O-N 3.35Å; Q410-T413 PolarHBondContact O-OG1 2.94Å; Q410-T413 VanDerWaalsContact O-OG1 3.05Å; N411-T413 VanDerWaalsContact C-N 3.34Å
414	S	32.9	Very low	41.7	Very low	81 Å²	81	103.8 Å²	103.8	57%	0.566	62%	0.617	S	S	*	*	H	α-helix	trans	-77	-23.5	172	55.3	0	0	0	0	113.9	Q410 N411 H416	Q410-S414 PolarHBondContact O-N 2.95Å; Q410-S414 PolarHBondContact O-OG 3.4Å; N411-S414 WeakPolarHBondContact CA-OG 3.38Å; N411-S414 PolarHBondContact O-OG 3.01Å; S414-H416 VanDerWaalsContact C-N 3.31Å; S414-H416 PolarHBondContact O-N 3.49Å
415	S	31.1	Very low	40.5	Very low	77 Å²	77	107.2 Å²	107.2	54%	0.538	62%	0.623	S	S	.	*	T	Hydrogen-bonded Turn	trans	-81.7	1.8	-176.7	61.5	0	0	0	0	115.3	N411 S412	N411-S415 PolarHBondContact O-N 3.11Å; N411-S415 PolarHBondContact O-OG 3.06Å; S412-S415 PolarHBondContact O-OG 2.93Å
416	H	34.4	Very low	38.7	Very low	169 Å²	169	108.3 Å²	108.3	78%	0.782	64%	0.641	S	S	*	*	T	Hydrogen-bonded Turn	trans	-117.3	12.6	179.9	-83.7	-56.4	0	0	0	114.7	S414	S414-H416 VanDerWaalsContact C-N 3.31Å; S414-H416 PolarHBondContact O-N 3.49Å
417	L	35.4	Very low	37	Very low	170 Å²	170	113.4 Å²	113.4	89%	0.89	68%	0.675	S	S	*	*	S	Bend	trans	-110.7	19.2	172.9	-87.5	160.7	0	0	0	113.2
418	G	34.6	Very low	35.9	Very low	52 Å²	52	111.7 Å²	111.7	54%	0.536	68%	0.679	S	S	.	*	S	Bend	trans	-124	129.3	172.4	0	0	0	0	0	111.2
419	S	33.3	Very low	35	Very low	122 Å²	122	112.8 Å²	112.8	85%	0.853	69%	0.685	S	S	*	*			trans	67.8	88.8	169.9	56.5	0	0	0	0	117.8
420	S	32.8	Very low	34	Very low	203 Å²	203	116.5 Å²	116.5	100%	1.42	71%	0.713	S	S	*	*				178.6	0	110	-68.8	0	0	0	0	109.9

Retrieved 420 of 420 residues in 1053 ms (Link to these results)

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