A0A096NRG5_PAPAN 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 (A0A5F8AEX1), UniProt , Accession A0A096NRG5, Species PAPAN (Papio anubis, Olive baboon), Gene TPST2, Length 420 aa.

Structure Viewer

Loading PAE data...

(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 411.6 ms (Link to these results)

U.S. Privacy Notice - Disclaimer / Registrations / Copyright Statement - Linking Policy - Notice of Privacy Practices (HIPAA) - Notice of Non‑Discrimination
© Copyright 2026 St. Jude Children's Research Hospital, a not-for-profit, section 501(c)(3).